smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000537968256 1032069908 /nfs/dbraw/zinc/06/99/08/1032069908.db2.gz YAYXVAIISUTVMR-NHCUHLMSSA-N 2 1 342.527 3.947 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)OC ZINC000430140577 1014169772 /nfs/dbraw/zinc/16/97/72/1014169772.db2.gz OWBBYSRUURHFAY-HSALFYBXSA-N 2 1 330.516 3.692 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000683106551 1014329198 /nfs/dbraw/zinc/32/91/98/1014329198.db2.gz APOOJZCGFFUHGZ-FCEUIQTBSA-N 2 1 342.527 3.946 20 0 EHADMP c1ncc(C[N@H+]2CCC3(CCC3)C2)cc1C[NH+]1CCC2(CCC2)C1 ZINC000579798268 1014588003 /nfs/dbraw/zinc/58/80/03/1014588003.db2.gz IZEJJAWSMMPQIQ-UHFFFAOYSA-N 2 1 325.500 3.834 20 0 EHADMP C[C@@H]([NH2+]CCn1cnc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274748573 1014800494 /nfs/dbraw/zinc/80/04/94/1014800494.db2.gz BGVCSUWSYOYPAW-QUCCMNQESA-N 2 1 348.494 3.537 20 0 EHADMP COCC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760622 1014955484 /nfs/dbraw/zinc/95/54/84/1014955484.db2.gz KBTUFIXXPQDROW-IHPCNDPISA-N 2 1 342.483 3.857 20 0 EHADMP COCC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760622 1014955489 /nfs/dbraw/zinc/95/54/89/1014955489.db2.gz KBTUFIXXPQDROW-IHPCNDPISA-N 2 1 342.483 3.857 20 0 EHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772205 1014961515 /nfs/dbraw/zinc/96/15/15/1014961515.db2.gz ZDPLOQTXNMRVBX-ZYHUDNBSSA-N 2 1 336.785 3.798 20 0 EHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772205 1014961530 /nfs/dbraw/zinc/96/15/30/1014961530.db2.gz ZDPLOQTXNMRVBX-ZYHUDNBSSA-N 2 1 336.785 3.798 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047116 1032120321 /nfs/dbraw/zinc/12/03/21/1032120321.db2.gz MZRZTZMMAOKTFE-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047116 1032120331 /nfs/dbraw/zinc/12/03/31/1032120331.db2.gz MZRZTZMMAOKTFE-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047116 1032120337 /nfs/dbraw/zinc/12/03/37/1032120337.db2.gz MZRZTZMMAOKTFE-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047116 1032120344 /nfs/dbraw/zinc/12/03/44/1032120344.db2.gz MZRZTZMMAOKTFE-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949023 1015668741 /nfs/dbraw/zinc/66/87/41/1015668741.db2.gz UXRVKJMYIYZVAX-MJGOQNOKSA-N 2 1 343.559 3.796 20 0 EHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274949023 1015668749 /nfs/dbraw/zinc/66/87/49/1015668749.db2.gz UXRVKJMYIYZVAX-MJGOQNOKSA-N 3 1 343.559 3.796 20 0 EHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949023 1015668753 /nfs/dbraw/zinc/66/87/53/1015668753.db2.gz UXRVKJMYIYZVAX-MJGOQNOKSA-N 3 1 343.559 3.796 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657838044 1032127161 /nfs/dbraw/zinc/12/71/61/1032127161.db2.gz NBRPRGAKEXLEIU-XLIONFOSSA-N 2 1 328.500 3.720 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CCN1C ZINC000155200371 1016296969 /nfs/dbraw/zinc/29/69/69/1016296969.db2.gz WVICIJAORVAGAR-APWZRJJASA-N 2 1 349.950 3.624 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000076443400 1016349239 /nfs/dbraw/zinc/34/92/39/1016349239.db2.gz AMWXBOVHVUHJCF-QUCCMNQESA-N 2 1 338.495 3.910 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398187679 1016555167 /nfs/dbraw/zinc/55/51/67/1016555167.db2.gz YNGRDRCZKZIXDB-XLIONFOSSA-N 2 1 348.494 3.643 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398187679 1016555173 /nfs/dbraw/zinc/55/51/73/1016555173.db2.gz YNGRDRCZKZIXDB-XLIONFOSSA-N 2 1 348.494 3.643 20 0 EHADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275493435 1016916877 /nfs/dbraw/zinc/91/68/77/1016916877.db2.gz JECIPJUULQOMKT-OLZOCXBDSA-N 2 1 338.282 3.973 20 0 EHADMP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)ccc2c1 ZINC000275516973 1016953195 /nfs/dbraw/zinc/95/31/95/1016953195.db2.gz KSWOZIKKDXXMEQ-JKSUJKDBSA-N 2 1 335.451 3.958 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183686667 1032195682 /nfs/dbraw/zinc/19/56/82/1032195682.db2.gz IQJCMOWFMZQVKI-OAHLLOKOSA-N 2 1 329.444 3.565 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)CC[C@H]3C)CC2)oc1C ZINC000449126625 1032219194 /nfs/dbraw/zinc/21/91/94/1032219194.db2.gz UTKIEBXEMIPEHE-SPYBWZPUSA-N 2 1 333.520 3.918 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000379655709 1032251252 /nfs/dbraw/zinc/25/12/52/1032251252.db2.gz MRHFQBZVYPSLHJ-QFBILLFUSA-N 2 1 338.451 3.558 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000449159567 1032260724 /nfs/dbraw/zinc/26/07/24/1032260724.db2.gz HHVKSXYREOBNTG-SOLBZPMBSA-N 2 1 334.529 3.822 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000449159567 1032260738 /nfs/dbraw/zinc/26/07/38/1032260738.db2.gz HHVKSXYREOBNTG-SOLBZPMBSA-N 2 1 334.529 3.822 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449168727 1032262406 /nfs/dbraw/zinc/26/24/06/1032262406.db2.gz DYRVVJRKFPNWPR-MSOLQXFVSA-N 2 1 343.540 3.891 20 0 EHADMP C[C@H]1C[C@H](NCc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449175572 1032266915 /nfs/dbraw/zinc/26/69/15/1032266915.db2.gz KNLOJMVQVLLKCS-QFBILLFUSA-N 2 1 335.451 3.971 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc3cccnc3o2)CCN1Cc1ccccc1 ZINC000449175572 1032266929 /nfs/dbraw/zinc/26/69/29/1032266929.db2.gz KNLOJMVQVLLKCS-QFBILLFUSA-N 2 1 335.451 3.971 20 0 EHADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000904918269 1032287058 /nfs/dbraw/zinc/28/70/58/1032287058.db2.gz GBTUYCFFZVONOR-HXUWFJFHSA-N 2 1 331.504 3.907 20 0 EHADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000538397908 1032343337 /nfs/dbraw/zinc/34/33/37/1032343337.db2.gz DUMHRSWMUKPZSE-HNNXBMFYSA-N 2 1 349.906 3.764 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000151865414 1032345827 /nfs/dbraw/zinc/34/58/27/1032345827.db2.gz NIJRZKZOJSNMIV-IAGOWNOFSA-N 2 1 326.488 3.706 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000083474225 1032395664 /nfs/dbraw/zinc/39/56/64/1032395664.db2.gz BJAJTRVCHWLULD-YJBOKZPZSA-N 2 1 329.875 3.878 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000083474225 1032395678 /nfs/dbraw/zinc/39/56/78/1032395678.db2.gz BJAJTRVCHWLULD-YJBOKZPZSA-N 2 1 329.875 3.878 20 0 EHADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C2CCCC2)n1 ZINC000449291996 1032434446 /nfs/dbraw/zinc/43/44/46/1032434446.db2.gz BFFDJNTWEAMSHL-LJQANCHMSA-N 2 1 338.499 3.610 20 0 EHADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C2CCCC2)n1 ZINC000449291996 1032434450 /nfs/dbraw/zinc/43/44/50/1032434450.db2.gz BFFDJNTWEAMSHL-LJQANCHMSA-N 2 1 338.499 3.610 20 0 EHADMP COc1cc(Cl)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000459738576 1032454284 /nfs/dbraw/zinc/45/42/84/1032454284.db2.gz RYDIHBNOBXJMJH-GFCCVEGCSA-N 2 1 331.287 3.824 20 0 EHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432115 1032677917 /nfs/dbraw/zinc/67/79/17/1032677917.db2.gz RQSUZTWIPJXYHA-LVCYWYKZSA-N 2 1 347.522 3.767 20 0 EHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432115 1032677930 /nfs/dbraw/zinc/67/79/30/1032677930.db2.gz RQSUZTWIPJXYHA-LVCYWYKZSA-N 2 1 347.522 3.767 20 0 EHADMP Oc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000683474611 1017217965 /nfs/dbraw/zinc/21/79/65/1017217965.db2.gz NWGRMWCLEVYEPZ-NRFANRHFSA-N 2 1 336.479 3.504 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876930 1017248146 /nfs/dbraw/zinc/24/81/46/1017248146.db2.gz OPDMPUOVVFGATR-CPUCHLNUSA-N 2 1 337.305 3.974 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876930 1017248152 /nfs/dbraw/zinc/24/81/52/1017248152.db2.gz OPDMPUOVVFGATR-CPUCHLNUSA-N 2 1 337.305 3.974 20 0 EHADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1OC ZINC000340401194 1017362326 /nfs/dbraw/zinc/36/23/26/1017362326.db2.gz SDZIAPSCYSIODJ-IRXDYDNUSA-N 2 1 334.504 3.552 20 0 EHADMP CC(C)(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655705278 1017421795 /nfs/dbraw/zinc/42/17/95/1017421795.db2.gz ATFGOHBZTVFZIN-HXUWFJFHSA-N 2 1 330.516 3.587 20 0 EHADMP [NH3+]CCC[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000415044078 1017453217 /nfs/dbraw/zinc/45/32/17/1017453217.db2.gz AECFXLUODVMXFA-GFCCVEGCSA-N 2 1 329.391 3.732 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415036686 1017453544 /nfs/dbraw/zinc/45/35/44/1017453544.db2.gz GAHUYLIKFJOKRO-RTBURBONSA-N 2 1 346.515 3.838 20 0 EHADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415085748 1017531940 /nfs/dbraw/zinc/53/19/40/1017531940.db2.gz RAKIXFBUCHBVJT-VXKWHMMOSA-N 3 1 343.559 3.827 20 0 EHADMP Fc1ccccc1OC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415088562 1017533995 /nfs/dbraw/zinc/53/39/95/1017533995.db2.gz XSEFDLKNPJSULA-VQIMIIECSA-N 2 1 328.431 3.535 20 0 EHADMP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000091744226 1032719632 /nfs/dbraw/zinc/71/96/32/1032719632.db2.gz NDNMHBUCORUJLC-IBGZPJMESA-N 2 1 336.907 3.760 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(C)C ZINC000340419987 1017706806 /nfs/dbraw/zinc/70/68/06/1017706806.db2.gz ZLRISNZBDWVKEC-RBUKOAKNSA-N 2 1 346.515 3.837 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(C)C ZINC000340419987 1017706816 /nfs/dbraw/zinc/70/68/16/1017706816.db2.gz ZLRISNZBDWVKEC-RBUKOAKNSA-N 2 1 346.515 3.837 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000655848279 1017766302 /nfs/dbraw/zinc/76/63/02/1017766302.db2.gz CQCRFQWYEJOELL-HZEGPAAWSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000655848279 1017766312 /nfs/dbraw/zinc/76/63/12/1017766312.db2.gz CQCRFQWYEJOELL-HZEGPAAWSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000275630053 1017812875 /nfs/dbraw/zinc/81/28/75/1017812875.db2.gz SDERBWZAAAAQSE-OLZOCXBDSA-N 2 1 334.261 3.559 20 0 EHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OCC(F)(F)F)cc1 ZINC000579974661 1017925849 /nfs/dbraw/zinc/92/58/49/1017925849.db2.gz SACYVZQTVBWFMM-CYBMUJFWSA-N 2 1 341.377 3.645 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000655942173 1017970372 /nfs/dbraw/zinc/97/03/72/1017970372.db2.gz KECRHJOYUDMIMF-ZVDOUQERSA-N 2 1 346.515 3.679 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001167326933 1018092784 /nfs/dbraw/zinc/09/27/84/1018092784.db2.gz YHLBUJXTCIZQNQ-KCZVDYSFSA-N 2 1 344.543 3.739 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000123950146 1018584053 /nfs/dbraw/zinc/58/40/53/1018584053.db2.gz USCOWVMEADZTIW-UHFFFAOYSA-N 2 1 337.511 3.897 20 0 EHADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC000897567418 1032789934 /nfs/dbraw/zinc/78/99/34/1032789934.db2.gz BACFLSQCZKWUBV-FQEVSTJZSA-N 2 1 326.484 3.766 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513072192 1018896432 /nfs/dbraw/zinc/89/64/32/1018896432.db2.gz ZEFRBOGFTBYLBP-JRGCBEDISA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513072192 1018896453 /nfs/dbraw/zinc/89/64/53/1018896453.db2.gz ZEFRBOGFTBYLBP-JRGCBEDISA-N 2 1 330.516 3.570 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C)cccc3C)CC2)oc1C ZINC000091060354 1018985244 /nfs/dbraw/zinc/98/52/44/1018985244.db2.gz SICGEFJEYJQMKX-UHFFFAOYSA-N 2 1 341.499 3.910 20 0 EHADMP CC(C)(C)[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406806 1019434367 /nfs/dbraw/zinc/43/43/67/1019434367.db2.gz WTWGFEWUVLCRNZ-RBBKRZOGSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406806 1019434381 /nfs/dbraw/zinc/43/43/81/1019434381.db2.gz WTWGFEWUVLCRNZ-RBBKRZOGSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001167406806 1019434389 /nfs/dbraw/zinc/43/43/89/1019434389.db2.gz WTWGFEWUVLCRNZ-RBBKRZOGSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001167406806 1019434400 /nfs/dbraw/zinc/43/44/00/1019434400.db2.gz WTWGFEWUVLCRNZ-RBBKRZOGSA-N 2 1 344.543 3.772 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000513452408 1019700759 /nfs/dbraw/zinc/70/07/59/1019700759.db2.gz MGWTUXHQCUTAEP-WIYYLYMNSA-N 2 1 338.495 3.721 20 0 EHADMP CC(C)c1[nH+]c(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccn21 ZINC000656277762 1019894794 /nfs/dbraw/zinc/89/47/94/1019894794.db2.gz NRZQAFCIQQNVJF-AEFFLSMTSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1[nH+]c(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccn21 ZINC000656277762 1019894805 /nfs/dbraw/zinc/89/48/05/1019894805.db2.gz NRZQAFCIQQNVJF-AEFFLSMTSA-N 2 1 326.488 3.564 20 0 EHADMP Cc1cnc(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000580771558 1019994940 /nfs/dbraw/zinc/99/49/40/1019994940.db2.gz OSTARMUSUDNGCG-HXUWFJFHSA-N 2 1 329.532 3.685 20 0 EHADMP Cc1cnc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000580771558 1019994944 /nfs/dbraw/zinc/99/49/44/1019994944.db2.gz OSTARMUSUDNGCG-HXUWFJFHSA-N 2 1 329.532 3.685 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000580774086 1020002961 /nfs/dbraw/zinc/00/29/61/1020002961.db2.gz OBJUVNFERWKGFK-INIZCTEOSA-N 2 1 328.422 3.960 20 0 EHADMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000126781302 1020099027 /nfs/dbraw/zinc/09/90/27/1020099027.db2.gz ZQFKBJGNXUFCKA-UHFFFAOYSA-N 2 1 344.547 3.815 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345320542 1020167825 /nfs/dbraw/zinc/16/78/25/1020167825.db2.gz ZBYXPFLOGHYLCT-HXUWFJFHSA-N 2 1 349.950 3.798 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000580952683 1020297001 /nfs/dbraw/zinc/29/70/01/1020297001.db2.gz PNJOAYCSQDOGSR-GOSISDBHSA-N 2 1 346.478 3.710 20 0 EHADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902987 1032891953 /nfs/dbraw/zinc/89/19/53/1032891953.db2.gz SNOCVRKAKUUWFC-HNNXBMFYSA-N 2 1 342.405 3.502 20 0 EHADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902987 1032891975 /nfs/dbraw/zinc/89/19/75/1032891975.db2.gz SNOCVRKAKUUWFC-HNNXBMFYSA-N 2 1 342.405 3.502 20 0 EHADMP Fc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168402432 1032895884 /nfs/dbraw/zinc/89/58/84/1032895884.db2.gz ZJOQJKKDGUOUDR-AVRDEDQJSA-N 2 1 338.470 3.795 20 0 EHADMP CCn1nc(C)c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000307964507 1020436155 /nfs/dbraw/zinc/43/61/55/1020436155.db2.gz JPHHZDRCGKRLEM-OAQYLSRUSA-N 2 1 340.515 3.522 20 0 EHADMP CCn1nc(C)c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000307964507 1020436163 /nfs/dbraw/zinc/43/61/63/1020436163.db2.gz JPHHZDRCGKRLEM-OAQYLSRUSA-N 2 1 340.515 3.522 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548156366 1020580200 /nfs/dbraw/zinc/58/02/00/1020580200.db2.gz OSHJCWJJQIUDJH-SIKLNZKXSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548156366 1020580205 /nfs/dbraw/zinc/58/02/05/1020580205.db2.gz OSHJCWJJQIUDJH-SIKLNZKXSA-N 2 1 343.559 3.609 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC2CCCCC2)[C@@H](C)C1 ZINC000501051760 1020669157 /nfs/dbraw/zinc/66/91/57/1020669157.db2.gz LCJDSOYMMPJMDK-HKUYNNGSSA-N 2 1 342.593 3.779 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038697 1020674410 /nfs/dbraw/zinc/67/44/10/1020674410.db2.gz YFAQFFBHWRWLGV-LPHOPBHVSA-N 2 1 346.515 3.804 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038697 1020674414 /nfs/dbraw/zinc/67/44/14/1020674414.db2.gz YFAQFFBHWRWLGV-LPHOPBHVSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038697 1020674419 /nfs/dbraw/zinc/67/44/19/1020674419.db2.gz YFAQFFBHWRWLGV-LPHOPBHVSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038697 1020674421 /nfs/dbraw/zinc/67/44/21/1020674421.db2.gz YFAQFFBHWRWLGV-LPHOPBHVSA-N 2 1 346.515 3.804 20 0 EHADMP CC[C@@H](C)[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000449630941 1032930806 /nfs/dbraw/zinc/93/08/06/1032930806.db2.gz NZUCGAQKAJINFJ-LJQANCHMSA-N 2 1 331.548 3.561 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C)ccc2O)CC1)CC(C)C ZINC000349406134 1020812645 /nfs/dbraw/zinc/81/26/45/1020812645.db2.gz KIMWCJVVZZGHMN-UHFFFAOYSA-N 2 1 333.520 3.676 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593116 1020843874 /nfs/dbraw/zinc/84/38/74/1020843874.db2.gz DEYPBJZGGMAEFD-WIYYLYMNSA-N 2 1 338.495 3.852 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000276375332 1021124117 /nfs/dbraw/zinc/12/41/17/1021124117.db2.gz DZZYQQRBFSQUHM-UHFFFAOYSA-N 2 1 327.350 3.615 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCCc3ccccn3)CC[N@@H+]2C2CC2)cc1 ZINC000638785385 1021211966 /nfs/dbraw/zinc/21/19/66/1021211966.db2.gz AYJOSBGSBBODCY-RBBKRZOGSA-N 2 1 335.495 3.972 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCCc3ccccn3)CC[N@H+]2C2CC2)cc1 ZINC000638785385 1021211978 /nfs/dbraw/zinc/21/19/78/1021211978.db2.gz AYJOSBGSBBODCY-RBBKRZOGSA-N 2 1 335.495 3.972 20 0 EHADMP Brc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656786244 1021334047 /nfs/dbraw/zinc/33/40/47/1021334047.db2.gz QTDXAAYACUGMCL-AWEZNQCLSA-N 2 1 343.334 3.722 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H](C)c2ccccc2)cc1F ZINC000656789897 1021341527 /nfs/dbraw/zinc/34/15/27/1021341527.db2.gz CMZZKGGMYJVCGT-BPAFIMBUSA-N 2 1 342.458 3.673 20 0 EHADMP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000684374682 1021412509 /nfs/dbraw/zinc/41/25/09/1021412509.db2.gz SXEWISKDPVGVAW-JOCHJYFZSA-N 2 1 337.511 3.824 20 0 EHADMP C[N@H+](CC1Cc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000516609576 1021596008 /nfs/dbraw/zinc/59/60/08/1021596008.db2.gz UKQHVTDPBRDLJX-UHFFFAOYSA-N 2 1 334.507 3.998 20 0 EHADMP C[N@@H+](CC1Cc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000516609576 1021596021 /nfs/dbraw/zinc/59/60/21/1021596021.db2.gz UKQHVTDPBRDLJX-UHFFFAOYSA-N 2 1 334.507 3.998 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000440704651 1021726309 /nfs/dbraw/zinc/72/63/09/1021726309.db2.gz OGPMJJLUOWAXID-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000440704651 1021726319 /nfs/dbraw/zinc/72/63/19/1021726319.db2.gz OGPMJJLUOWAXID-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000440704651 1021726327 /nfs/dbraw/zinc/72/63/27/1021726327.db2.gz OGPMJJLUOWAXID-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000120934603 1021769543 /nfs/dbraw/zinc/76/95/43/1021769543.db2.gz HJPWFZHFWWLODC-HBMCJLEFSA-N 2 1 340.511 3.588 20 0 EHADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167965825 1021871590 /nfs/dbraw/zinc/87/15/90/1021871590.db2.gz NLYWUKFNIPKBMZ-QYYYHEGRSA-N 2 1 325.500 3.836 20 0 EHADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167965825 1021871603 /nfs/dbraw/zinc/87/16/03/1021871603.db2.gz NLYWUKFNIPKBMZ-QYYYHEGRSA-N 2 1 325.500 3.836 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999511 1021926580 /nfs/dbraw/zinc/92/65/80/1021926580.db2.gz QSFBGORQUOJXFL-BVSLBCMMSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999511 1021926591 /nfs/dbraw/zinc/92/65/91/1021926591.db2.gz QSFBGORQUOJXFL-BVSLBCMMSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999511 1021926601 /nfs/dbraw/zinc/92/66/01/1021926601.db2.gz QSFBGORQUOJXFL-BVSLBCMMSA-N 2 1 343.559 3.609 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999511 1021926609 /nfs/dbraw/zinc/92/66/09/1021926609.db2.gz QSFBGORQUOJXFL-BVSLBCMMSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999511 1021926616 /nfs/dbraw/zinc/92/66/16/1021926616.db2.gz QSFBGORQUOJXFL-BVSLBCMMSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999511 1021926625 /nfs/dbraw/zinc/92/66/25/1021926625.db2.gz QSFBGORQUOJXFL-BVSLBCMMSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999511 1021926638 /nfs/dbraw/zinc/92/66/38/1021926638.db2.gz QSFBGORQUOJXFL-BVSLBCMMSA-N 3 1 343.559 3.609 20 0 EHADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415008905 1021946718 /nfs/dbraw/zinc/94/67/18/1021946718.db2.gz SWHSYGDVYQTJOC-AZUAARDMSA-N 2 1 342.458 3.626 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647186634 1021965645 /nfs/dbraw/zinc/96/56/45/1021965645.db2.gz QVTCTJPUBKGITD-IBGZPJMESA-N 2 1 330.516 3.572 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647186634 1021965658 /nfs/dbraw/zinc/96/56/58/1021965658.db2.gz QVTCTJPUBKGITD-IBGZPJMESA-N 2 1 330.516 3.572 20 0 EHADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)cc1 ZINC000262006796 1021974456 /nfs/dbraw/zinc/97/44/56/1021974456.db2.gz LWGHHDNWNKNGEO-GOSISDBHSA-N 2 1 334.423 3.532 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000517041923 1021975476 /nfs/dbraw/zinc/97/54/76/1021975476.db2.gz SHBMQHOZZWVTKQ-HNAYVOBHSA-N 2 1 325.456 3.791 20 0 EHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276623660 1022015961 /nfs/dbraw/zinc/01/59/61/1022015961.db2.gz ILMWBGVEBVCXPQ-CYBMUJFWSA-N 2 1 326.469 3.745 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCCCC1 ZINC000519381387 1022055058 /nfs/dbraw/zinc/05/50/58/1022055058.db2.gz CVOYFCMMPUDVBC-IAGOWNOFSA-N 2 1 341.421 3.975 20 0 EHADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000471759504 1022064418 /nfs/dbraw/zinc/06/44/18/1022064418.db2.gz NIAXIIIWHJHWCX-MRXNPFEDSA-N 2 1 325.378 3.968 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440345746 1022104161 /nfs/dbraw/zinc/10/41/61/1022104161.db2.gz WBCJAAFILJIIAB-INIZCTEOSA-N 2 1 344.528 3.949 20 0 EHADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cc2cccc(F)c2o1 ZINC000425895314 1022120111 /nfs/dbraw/zinc/12/01/11/1022120111.db2.gz ITFAIZMALSZVEV-LBPRGKRZSA-N 2 1 343.402 3.878 20 0 EHADMP COC(=O)c1cc2cc(CN(C)CC[C@@H]3CCCC[N@H+]3C)ccc2o1 ZINC000441334853 1022154946 /nfs/dbraw/zinc/15/49/46/1022154946.db2.gz DFMGYKUQUFVUHL-KRWDZBQOSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2o1 ZINC000441334853 1022154954 /nfs/dbraw/zinc/15/49/54/1022154954.db2.gz DFMGYKUQUFVUHL-KRWDZBQOSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2o1 ZINC000441334853 1022154966 /nfs/dbraw/zinc/15/49/66/1022154966.db2.gz DFMGYKUQUFVUHL-KRWDZBQOSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)ccc2o1 ZINC000441334853 1022154974 /nfs/dbraw/zinc/15/49/74/1022154974.db2.gz DFMGYKUQUFVUHL-KRWDZBQOSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)ccc2o1 ZINC000441334853 1022154988 /nfs/dbraw/zinc/15/49/88/1022154988.db2.gz DFMGYKUQUFVUHL-KRWDZBQOSA-N 2 1 344.455 3.526 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccnc2)C(C)C)[C@H](C)C1 ZINC000164145100 1022235146 /nfs/dbraw/zinc/23/51/46/1022235146.db2.gz YEIRIQPJGUIADJ-NRSPTQNISA-N 2 1 347.547 3.548 20 0 EHADMP C[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000262022178 1022242046 /nfs/dbraw/zinc/24/20/46/1022242046.db2.gz NGGXSWLZCLXGRD-CQSZACIVSA-N 2 1 337.305 3.628 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)C[NH+](C)C ZINC000425936304 1022269859 /nfs/dbraw/zinc/26/98/59/1022269859.db2.gz MENBLFQDZGFTLV-BXUZGUMPSA-N 2 1 331.287 3.994 20 0 EHADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1OC ZINC000473919757 1022292082 /nfs/dbraw/zinc/29/20/82/1022292082.db2.gz PLEARGWKBZRFJY-UHFFFAOYSA-N 2 1 346.515 3.981 20 0 EHADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C2CCCC2)n1 ZINC000894456869 1022307949 /nfs/dbraw/zinc/30/79/49/1022307949.db2.gz UANOVDVWKXDNKA-UHFFFAOYSA-N 2 1 340.515 3.771 20 0 EHADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@H+](C)C3CCCCC3)c(C)n2n1 ZINC000127452080 1022314311 /nfs/dbraw/zinc/31/43/11/1022314311.db2.gz HTLPFQHKPJNHES-MRXNPFEDSA-N 2 1 343.519 3.651 20 0 EHADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@@H+](C)C3CCCCC3)c(C)n2n1 ZINC000127452080 1022314327 /nfs/dbraw/zinc/31/43/27/1022314327.db2.gz HTLPFQHKPJNHES-MRXNPFEDSA-N 2 1 343.519 3.651 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000550097897 1022422207 /nfs/dbraw/zinc/42/22/07/1022422207.db2.gz YDRRFSUMOSZRKT-SFHVURJKSA-N 2 1 341.499 3.867 20 0 EHADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438210539 1022471394 /nfs/dbraw/zinc/47/13/94/1022471394.db2.gz JBDHAHAOMUQFOF-ICSRJNTNSA-N 2 1 340.486 3.911 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000129850045 1022514026 /nfs/dbraw/zinc/51/40/26/1022514026.db2.gz JWHBBLXEQXEDDB-OBJOEFQTSA-N 2 1 341.293 3.591 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000129850045 1022514040 /nfs/dbraw/zinc/51/40/40/1022514040.db2.gz JWHBBLXEQXEDDB-OBJOEFQTSA-N 2 1 341.293 3.591 20 0 EHADMP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401046135 1022569857 /nfs/dbraw/zinc/56/98/57/1022569857.db2.gz MGKZGIZPUJPKKN-CTNGQTDRSA-N 2 1 337.511 3.741 20 0 EHADMP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]c2cc(Br)ccc21 ZINC000303853475 1022589210 /nfs/dbraw/zinc/58/92/10/1022589210.db2.gz LBJFQZJASOTMCC-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2cc(Br)ccc21 ZINC000303853475 1022589219 /nfs/dbraw/zinc/58/92/19/1022589219.db2.gz LBJFQZJASOTMCC-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000111685915 1022703992 /nfs/dbraw/zinc/70/39/92/1022703992.db2.gz BHXXRLAGTQKXGQ-OAQYLSRUSA-N 2 1 346.563 3.806 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)c1 ZINC000426034944 1022716460 /nfs/dbraw/zinc/71/64/60/1022716460.db2.gz JVVLPFYIZWYGIH-HXUWFJFHSA-N 2 1 338.495 3.794 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341661155 1022908504 /nfs/dbraw/zinc/90/85/04/1022908504.db2.gz TXSWXMFYONYRDS-GUYCJALGSA-N 2 1 333.863 3.985 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1O ZINC000426172764 1023040748 /nfs/dbraw/zinc/04/07/48/1023040748.db2.gz CKHOBYUMXMANEJ-LPHOPBHVSA-N 2 1 346.515 3.576 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1O ZINC000426172764 1023040761 /nfs/dbraw/zinc/04/07/61/1023040761.db2.gz CKHOBYUMXMANEJ-LPHOPBHVSA-N 2 1 346.515 3.576 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448177 1023165378 /nfs/dbraw/zinc/16/53/78/1023165378.db2.gz QVSPZJWCUDMBAB-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448177 1023165384 /nfs/dbraw/zinc/16/53/84/1023165384.db2.gz QVSPZJWCUDMBAB-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448177 1023165389 /nfs/dbraw/zinc/16/53/89/1023165389.db2.gz QVSPZJWCUDMBAB-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448177 1023165396 /nfs/dbraw/zinc/16/53/96/1023165396.db2.gz QVSPZJWCUDMBAB-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP CCC[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CC[NH2+]CC1 ZINC000431070832 1023206002 /nfs/dbraw/zinc/20/60/02/1023206002.db2.gz ZKTHEXOLQJLLKL-UHFFFAOYSA-N 2 1 330.394 3.592 20 0 EHADMP CN(Cc1nc(C(C)(C)N)no1)Cc1ccccc1-c1ccccc1 ZINC000431077399 1023227694 /nfs/dbraw/zinc/22/76/94/1023227694.db2.gz OKDJKMXHUISSCF-UHFFFAOYSA-N 2 1 336.439 3.562 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414980935 1023265692 /nfs/dbraw/zinc/26/56/92/1023265692.db2.gz XKURLESNEVBYKF-MRXNPFEDSA-N 2 1 340.895 3.615 20 0 EHADMP Clc1ccccc1C1CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000510846756 1023274909 /nfs/dbraw/zinc/27/49/09/1023274909.db2.gz UNTDFDLAICSLAE-UHFFFAOYSA-N 2 1 348.918 3.821 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000092540881 1023400610 /nfs/dbraw/zinc/40/06/10/1023400610.db2.gz IDUNDLNWOCDOLQ-CALCHBBNSA-N 2 1 347.572 3.543 20 0 EHADMP Cc1c(Br)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245574391 1123880215 /nfs/dbraw/zinc/88/02/15/1123880215.db2.gz DQHRGUYJEIPCAO-SWLSCSKDSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000245714905 1123934705 /nfs/dbraw/zinc/93/47/05/1123934705.db2.gz GRULHWBJJXKYAL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000245714905 1123934709 /nfs/dbraw/zinc/93/47/09/1123934709.db2.gz GRULHWBJJXKYAL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000245714905 1123934710 /nfs/dbraw/zinc/93/47/10/1123934710.db2.gz GRULHWBJJXKYAL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000245714905 1123934715 /nfs/dbraw/zinc/93/47/15/1123934715.db2.gz GRULHWBJJXKYAL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C(C)(C)C(F)F)CCCC2)CC1 ZINC000657881422 1033172816 /nfs/dbraw/zinc/17/28/16/1033172816.db2.gz OJJVXJCUYMGHGM-CQSZACIVSA-N 2 1 332.479 3.679 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000093062082 1023961629 /nfs/dbraw/zinc/96/16/29/1023961629.db2.gz JTFUHCBNFKVVNL-SFHVURJKSA-N 2 1 340.515 3.689 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000277175831 1024018691 /nfs/dbraw/zinc/01/86/91/1024018691.db2.gz ZBMPCPAIDKPFMR-UHFFFAOYSA-N 2 1 334.467 3.722 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000277175831 1024018710 /nfs/dbraw/zinc/01/87/10/1024018710.db2.gz ZBMPCPAIDKPFMR-UHFFFAOYSA-N 2 1 334.467 3.722 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000514008988 1024035031 /nfs/dbraw/zinc/03/50/31/1024035031.db2.gz WJEHUGVTTHIDES-UHFFFAOYSA-N 2 1 325.294 3.754 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000514008988 1024035041 /nfs/dbraw/zinc/03/50/41/1024035041.db2.gz WJEHUGVTTHIDES-UHFFFAOYSA-N 2 1 325.294 3.754 20 0 EHADMP O=C(c1ccccc1)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002393 1024049680 /nfs/dbraw/zinc/04/96/80/1024049680.db2.gz QTPVUTCZVJDZAJ-MQEZQYLSSA-N 2 1 338.495 3.597 20 0 EHADMP O=C(c1ccccc1)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002393 1024049696 /nfs/dbraw/zinc/04/96/96/1024049696.db2.gz QTPVUTCZVJDZAJ-MQEZQYLSSA-N 2 1 338.495 3.597 20 0 EHADMP O=C(c1ccccc1)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002393 1024049713 /nfs/dbraw/zinc/04/97/13/1024049713.db2.gz QTPVUTCZVJDZAJ-MQEZQYLSSA-N 2 1 338.495 3.597 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc(C)c1O ZINC000574459585 1033180536 /nfs/dbraw/zinc/18/05/36/1033180536.db2.gz HPPAHUBVPSSBMK-HXUWFJFHSA-N 2 1 338.495 3.963 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000514085721 1024119794 /nfs/dbraw/zinc/11/97/94/1024119794.db2.gz WYPFEBPGFCTEAY-FKBYEOEOSA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000514085721 1024119805 /nfs/dbraw/zinc/11/98/05/1024119805.db2.gz WYPFEBPGFCTEAY-FKBYEOEOSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000514085721 1024119817 /nfs/dbraw/zinc/11/98/17/1024119817.db2.gz WYPFEBPGFCTEAY-FKBYEOEOSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000514085721 1024119823 /nfs/dbraw/zinc/11/98/23/1024119823.db2.gz WYPFEBPGFCTEAY-FKBYEOEOSA-N 2 1 341.543 3.635 20 0 EHADMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000514134917 1024160756 /nfs/dbraw/zinc/16/07/56/1024160756.db2.gz SRRSGXMHXZBXDJ-UHFFFAOYSA-N 2 1 325.294 3.760 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475034017 1024174869 /nfs/dbraw/zinc/17/48/69/1024174869.db2.gz LUIUTGWLWDCABK-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475034017 1024174875 /nfs/dbraw/zinc/17/48/75/1024174875.db2.gz LUIUTGWLWDCABK-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034017 1024174886 /nfs/dbraw/zinc/17/48/86/1024174886.db2.gz LUIUTGWLWDCABK-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034017 1024174896 /nfs/dbraw/zinc/17/48/96/1024174896.db2.gz LUIUTGWLWDCABK-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000277230621 1024269956 /nfs/dbraw/zinc/26/99/56/1024269956.db2.gz YRDMJYJEHGBMCU-NLWGTHIKSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)n1cncc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168025236 1024374805 /nfs/dbraw/zinc/37/48/05/1024374805.db2.gz BXEJTLBJXWIWIZ-QZTJIDSGSA-N 2 1 340.515 3.995 20 0 EHADMP COc1sc(C[NH2+]CC2([NH3+])CCCCCC2)cc1Br ZINC000414860171 1024524212 /nfs/dbraw/zinc/52/42/12/1024524212.db2.gz OMWAOAWLMUTWGA-UHFFFAOYSA-N 2 1 347.322 3.661 20 0 EHADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC000895463540 1024537048 /nfs/dbraw/zinc/53/70/48/1024537048.db2.gz WAIQSECSZWJAHL-TZOQOTQKSA-N 2 1 336.907 3.613 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417896310 1024581172 /nfs/dbraw/zinc/58/11/72/1024581172.db2.gz VQWJUZJFTOKHLK-UHFFFAOYSA-N 2 1 340.515 3.957 20 0 EHADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2-c2ccccc2Cl)CCO1 ZINC001204757541 1024598285 /nfs/dbraw/zinc/59/82/85/1024598285.db2.gz ZLJXHINEJUPJOS-INIZCTEOSA-N 2 1 330.859 3.557 20 0 EHADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2Cl)CCO1 ZINC001204757541 1024598294 /nfs/dbraw/zinc/59/82/94/1024598294.db2.gz ZLJXHINEJUPJOS-INIZCTEOSA-N 2 1 330.859 3.557 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000895694460 1024728536 /nfs/dbraw/zinc/72/85/36/1024728536.db2.gz UXSUEQNAKVKRNV-QXWDQEIOSA-N 2 1 330.516 3.549 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000346474361 1024759949 /nfs/dbraw/zinc/75/99/49/1024759949.db2.gz CVBCCHCHFSBOLH-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000346474361 1024759960 /nfs/dbraw/zinc/75/99/60/1024759960.db2.gz CVBCCHCHFSBOLH-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000346474361 1024759970 /nfs/dbraw/zinc/75/99/70/1024759970.db2.gz CVBCCHCHFSBOLH-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192576819 1024766452 /nfs/dbraw/zinc/76/64/52/1024766452.db2.gz YDKVENULMONAPU-UHFFFAOYSA-N 2 1 329.513 3.608 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000105443648 1024942011 /nfs/dbraw/zinc/94/20/11/1024942011.db2.gz HULNPYDSIXQRJB-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP Cc1ccc(-c2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)cs2)o1 ZINC000056522272 1024942809 /nfs/dbraw/zinc/94/28/09/1024942809.db2.gz NSFXCZNRKXJIES-UHFFFAOYSA-N 2 1 333.501 3.875 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000157540479 1024946769 /nfs/dbraw/zinc/94/67/69/1024946769.db2.gz CZRORFACOOESAW-VOIUYBSRSA-N 2 1 348.556 3.872 20 0 EHADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000428030288 1024948838 /nfs/dbraw/zinc/94/88/38/1024948838.db2.gz CVCIADRMVIUNKB-GHTZIAJQSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000428030288 1024948852 /nfs/dbraw/zinc/94/88/52/1024948852.db2.gz CVCIADRMVIUNKB-GHTZIAJQSA-N 2 1 340.442 3.589 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CCC1 ZINC000414869742 1024954915 /nfs/dbraw/zinc/95/49/15/1024954915.db2.gz BFJLCSMWWZJMGH-UHFFFAOYSA-N 2 1 338.480 3.572 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000665254999 1024964740 /nfs/dbraw/zinc/96/47/40/1024964740.db2.gz GCHQPYXWOJDMGL-NDXORKPFSA-N 2 1 342.483 3.735 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657313076 1025002785 /nfs/dbraw/zinc/00/27/85/1025002785.db2.gz HEVSMPMBZKDQIF-QZTJIDSGSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657313076 1025002796 /nfs/dbraw/zinc/00/27/96/1025002796.db2.gz HEVSMPMBZKDQIF-QZTJIDSGSA-N 2 1 327.497 3.835 20 0 EHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000665257665 1025013127 /nfs/dbraw/zinc/01/31/27/1025013127.db2.gz PTFGYKACGOUURB-PMACEKPBSA-N 2 1 346.490 3.600 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093666 1025013295 /nfs/dbraw/zinc/01/32/95/1025013295.db2.gz QJQPUBXTXOYLRS-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093666 1025013308 /nfs/dbraw/zinc/01/33/08/1025013308.db2.gz QJQPUBXTXOYLRS-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093666 1025013317 /nfs/dbraw/zinc/01/33/17/1025013317.db2.gz QJQPUBXTXOYLRS-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093666 1025013324 /nfs/dbraw/zinc/01/33/24/1025013324.db2.gz QJQPUBXTXOYLRS-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093666 1025013327 /nfs/dbraw/zinc/01/33/27/1025013327.db2.gz QJQPUBXTXOYLRS-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093667 1025013433 /nfs/dbraw/zinc/01/34/33/1025013433.db2.gz QJQPUBXTXOYLRS-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093667 1025013439 /nfs/dbraw/zinc/01/34/39/1025013439.db2.gz QJQPUBXTXOYLRS-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093667 1025013443 /nfs/dbraw/zinc/01/34/43/1025013443.db2.gz QJQPUBXTXOYLRS-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093667 1025013449 /nfs/dbraw/zinc/01/34/49/1025013449.db2.gz QJQPUBXTXOYLRS-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093667 1025013456 /nfs/dbraw/zinc/01/34/56/1025013456.db2.gz QJQPUBXTXOYLRS-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000474480719 1025035126 /nfs/dbraw/zinc/03/51/26/1025035126.db2.gz SHKDNVOLKPNUDL-ZIFCJYIRSA-N 2 1 348.531 3.906 20 0 EHADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629774 1025049063 /nfs/dbraw/zinc/04/90/63/1025049063.db2.gz YINSPLQREDOYRD-HXUWFJFHSA-N 2 1 337.467 3.513 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000281465869 1025074769 /nfs/dbraw/zinc/07/47/69/1025074769.db2.gz FADUFXUJSZQHDQ-UKRRQHHQSA-N 2 1 337.389 3.685 20 0 EHADMP C[C@H]1CC(N[C@H]2CC[N@H+](C3CCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036941 1025129582 /nfs/dbraw/zinc/12/95/82/1025129582.db2.gz WGBAHVSJWIXSGN-BJLQDIEVSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[C@@H](C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000474596939 1025180460 /nfs/dbraw/zinc/18/04/60/1025180460.db2.gz HWYWSVGWPSUYAH-SVFBPWRDSA-N 2 1 332.532 3.905 20 0 EHADMP C[NH2+]CCC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000435880943 1025185936 /nfs/dbraw/zinc/18/59/36/1025185936.db2.gz RQXLOGYNIFFYIL-ZDUSSCGKSA-N 2 1 329.307 3.527 20 0 EHADMP C[NH2+]CCC[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000435880943 1025185939 /nfs/dbraw/zinc/18/59/39/1025185939.db2.gz RQXLOGYNIFFYIL-ZDUSSCGKSA-N 2 1 329.307 3.527 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000474035384 1025314426 /nfs/dbraw/zinc/31/44/26/1025314426.db2.gz NWQHGDMCJHGWAJ-BAGYTPMASA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760748 1025458201 /nfs/dbraw/zinc/45/82/01/1025458201.db2.gz AKSFHQUXYJDWHV-IRXDYDNUSA-N 2 1 326.440 3.527 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299322 1025598844 /nfs/dbraw/zinc/59/88/44/1025598844.db2.gz KMJNHEMGDFGFDK-NEWSRXKRSA-N 2 1 338.499 3.760 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCO1 ZINC001168127604 1025609048 /nfs/dbraw/zinc/60/90/48/1025609048.db2.gz HQDRBINNDFCYKJ-HOCLYGCPSA-N 2 1 345.874 3.578 20 0 EHADMP Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000443058119 1025693701 /nfs/dbraw/zinc/69/37/01/1025693701.db2.gz JIQPBWHUTYJMIX-CQSZACIVSA-N 2 1 333.863 3.864 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)c2cccc(Br)c21 ZINC000530354971 1025697776 /nfs/dbraw/zinc/69/77/76/1025697776.db2.gz NCZBFYCWJBTLJK-IAQYHMDHSA-N 2 1 334.261 3.563 20 0 EHADMP CCOc1ccc([C@@H](CC)[NH2+]CCc2c[nH+]cn2C)cc1OCC ZINC000530354933 1025697900 /nfs/dbraw/zinc/69/79/00/1025697900.db2.gz JVHKWMBKLOERNZ-QGZVFWFLSA-N 2 1 331.460 3.501 20 0 EHADMP C[C@@H]1C[C@H](NCc2c(Cl)cc(Cl)cc2N(C)C)CC[N@H+]1C ZINC000515925225 1025746032 /nfs/dbraw/zinc/74/60/32/1025746032.db2.gz WHAYCWABLLSXSK-DGCLKSJQSA-N 2 1 330.303 3.632 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@]3(CCCO3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168043789 1025751027 /nfs/dbraw/zinc/75/10/27/1025751027.db2.gz CZYGNVCYMMJZKG-DBXWQHBBSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474882988 1025757605 /nfs/dbraw/zinc/75/76/05/1025757605.db2.gz WZUVNMSNHKHDJH-UHFFFAOYSA-N 2 1 326.406 3.880 20 0 EHADMP CSC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000530407409 1025780540 /nfs/dbraw/zinc/78/05/40/1025780540.db2.gz XJSXWZMDSGKZPO-HNNXBMFYSA-N 2 1 343.418 3.675 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040118 1025907039 /nfs/dbraw/zinc/90/70/39/1025907039.db2.gz ZEKHWYYODXNVRU-UGKGYDQZSA-N 2 1 338.495 3.910 20 0 EHADMP C[C@@H]1CC(N2CCC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168052338 1025962589 /nfs/dbraw/zinc/96/25/89/1025962589.db2.gz KNZKOVLIOMNAQW-SFHLNBCPSA-N 2 1 341.543 3.598 20 0 EHADMP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1Br ZINC000475119732 1026201121 /nfs/dbraw/zinc/20/11/21/1026201121.db2.gz NYYDBCWKWMKOTL-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1Br ZINC000475119732 1026201128 /nfs/dbraw/zinc/20/11/28/1026201128.db2.gz NYYDBCWKWMKOTL-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603454 1026380057 /nfs/dbraw/zinc/38/00/57/1026380057.db2.gz YWFNFOXOCMDURY-IAQYHMDHSA-N 2 1 343.334 3.893 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603454 1026380071 /nfs/dbraw/zinc/38/00/71/1026380071.db2.gz YWFNFOXOCMDURY-IAQYHMDHSA-N 2 1 343.334 3.893 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+](C)C3CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059652 1026384745 /nfs/dbraw/zinc/38/47/45/1026384745.db2.gz UXANWRXUTOWGJS-UDKICSLYSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@H]([N@H+](C)C3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059652 1026384756 /nfs/dbraw/zinc/38/47/56/1026384756.db2.gz UXANWRXUTOWGJS-UDKICSLYSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@H]([N@@H+](C)C3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059652 1026384771 /nfs/dbraw/zinc/38/47/71/1026384771.db2.gz UXANWRXUTOWGJS-UDKICSLYSA-N 2 1 341.543 3.597 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(Br)c2)C[C@@H]1C ZINC000530901529 1026387342 /nfs/dbraw/zinc/38/73/42/1026387342.db2.gz KKTLUUMXYQTPFZ-XJKSGUPXSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2)C[C@@H]1C ZINC000530901529 1026387355 /nfs/dbraw/zinc/38/73/55/1026387355.db2.gz KKTLUUMXYQTPFZ-XJKSGUPXSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2)C[C@@H]1C ZINC000530901529 1026387365 /nfs/dbraw/zinc/38/73/65/1026387365.db2.gz KKTLUUMXYQTPFZ-XJKSGUPXSA-N 2 1 325.294 3.754 20 0 EHADMP FC(F)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000475208941 1026389071 /nfs/dbraw/zinc/38/90/71/1026389071.db2.gz BMQGRYSUIWPKTA-OKZBNKHCSA-N 2 1 334.454 3.922 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000125203124 1026476557 /nfs/dbraw/zinc/47/65/57/1026476557.db2.gz JTXPPCTWNDJPLH-MSOLQXFVSA-N 3 1 329.532 3.532 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(SC(F)F)cc2)CCCO1 ZINC000277661650 1026479797 /nfs/dbraw/zinc/47/97/97/1026479797.db2.gz FNGFFPMXEULOGK-CQSZACIVSA-N 2 1 344.471 3.592 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1Cl ZINC000342630451 1026511275 /nfs/dbraw/zinc/51/12/75/1026511275.db2.gz UTGAZEBEMDNZRD-CQSZACIVSA-N 2 1 325.884 3.516 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(C2)CCCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062149 1026520851 /nfs/dbraw/zinc/52/08/51/1026520851.db2.gz JCNFAALIKSXLEM-NPDDRXJXSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062149 1026520855 /nfs/dbraw/zinc/52/08/55/1026520855.db2.gz JCNFAALIKSXLEM-NPDDRXJXSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062149 1026520860 /nfs/dbraw/zinc/52/08/60/1026520860.db2.gz JCNFAALIKSXLEM-NPDDRXJXSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@@H]2C(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064208 1026587865 /nfs/dbraw/zinc/58/78/65/1026587865.db2.gz OXMJYENLRRINCQ-MBOZVWFJSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@H]2C(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064208 1026587872 /nfs/dbraw/zinc/58/78/72/1026587872.db2.gz OXMJYENLRRINCQ-MBOZVWFJSA-N 2 1 330.516 3.663 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192921003 1026639444 /nfs/dbraw/zinc/63/94/44/1026639444.db2.gz DBEPZWHVYNYVNC-GHTZIAJQSA-N 2 1 338.495 3.738 20 0 EHADMP CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000657500566 1026788678 /nfs/dbraw/zinc/78/86/78/1026788678.db2.gz QEAMBOMUWDHAPY-IRLDBZIGSA-N 2 1 338.495 3.829 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531343683 1026830653 /nfs/dbraw/zinc/83/06/53/1026830653.db2.gz UVFSCESBTQRGRN-QGZVFWFLSA-N 2 1 344.421 3.638 20 0 EHADMP CC(C)[N@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168066490 1026900284 /nfs/dbraw/zinc/90/02/84/1026900284.db2.gz OZAUSNSUCDJXFP-IIZPIQPGSA-N 2 1 343.559 3.843 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168066490 1026900288 /nfs/dbraw/zinc/90/02/88/1026900288.db2.gz OZAUSNSUCDJXFP-IIZPIQPGSA-N 2 1 343.559 3.843 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168066490 1026900294 /nfs/dbraw/zinc/90/02/94/1026900294.db2.gz OZAUSNSUCDJXFP-IIZPIQPGSA-N 2 1 343.559 3.843 20 0 EHADMP Cc1nc(C)c(C)c(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000301690756 1026902954 /nfs/dbraw/zinc/90/29/54/1026902954.db2.gz XLMBFEUCTCJIPK-HNNXBMFYSA-N 2 1 330.520 3.883 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305710987 1026924029 /nfs/dbraw/zinc/92/40/29/1026924029.db2.gz FIGJPQYWGQHSNU-KURKYZTESA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305710987 1026924037 /nfs/dbraw/zinc/92/40/37/1026924037.db2.gz FIGJPQYWGQHSNU-KURKYZTESA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305710987 1026924043 /nfs/dbraw/zinc/92/40/43/1026924043.db2.gz FIGJPQYWGQHSNU-KURKYZTESA-N 2 1 336.545 3.901 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000305768512 1026965850 /nfs/dbraw/zinc/96/58/50/1026965850.db2.gz KWTWPBAMFPKTGQ-CEXWTWQISA-N 2 1 346.515 3.651 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000125534558 1027089505 /nfs/dbraw/zinc/08/95/05/1027089505.db2.gz LKAALWVGTDLKGK-UHFFFAOYSA-N 2 1 342.483 3.948 20 0 EHADMP Cc1ccc2[nH+]ccc(NC[C@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221890 1027094666 /nfs/dbraw/zinc/09/46/66/1027094666.db2.gz MQSHEFWQTGUFAQ-MOPGFXCFSA-N 2 1 347.462 3.591 20 0 EHADMP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c2ccc(Br)cc21 ZINC000302252894 1027110380 /nfs/dbraw/zinc/11/03/80/1027110380.db2.gz NKHXGKNPLOGPHP-UHFFFAOYSA-N 2 1 334.261 3.528 20 0 EHADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c2ccc(Br)cc21 ZINC000302252894 1027110382 /nfs/dbraw/zinc/11/03/82/1027110382.db2.gz NKHXGKNPLOGPHP-UHFFFAOYSA-N 2 1 334.261 3.528 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000531735186 1027259178 /nfs/dbraw/zinc/25/91/78/1027259178.db2.gz FQLUMZFEIMVZNE-CBGDNZLLSA-N 2 1 326.484 3.927 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453073381 1027287694 /nfs/dbraw/zinc/28/76/94/1027287694.db2.gz QSQLDVZCKNPJSW-CEWLAPEOSA-N 2 1 339.483 3.824 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453073381 1027287695 /nfs/dbraw/zinc/28/76/95/1027287695.db2.gz QSQLDVZCKNPJSW-CEWLAPEOSA-N 2 1 339.483 3.824 20 0 EHADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000453056071 1027299975 /nfs/dbraw/zinc/29/99/75/1027299975.db2.gz FGRMSIULGBFVNE-ROUUACIJSA-N 2 1 338.499 3.572 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453058031 1027304985 /nfs/dbraw/zinc/30/49/85/1027304985.db2.gz IOJAZKQDCMIEMA-OALUTQOASA-N 2 1 347.890 3.615 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[N@H+]1C ZINC000453122597 1027401124 /nfs/dbraw/zinc/40/11/24/1027401124.db2.gz QJFVCUUPQFWIRQ-VOFPXKNKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH+]1C ZINC000453122597 1027401134 /nfs/dbraw/zinc/40/11/34/1027401134.db2.gz QJFVCUUPQFWIRQ-VOFPXKNKSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH+]1C ZINC000453122597 1027401143 /nfs/dbraw/zinc/40/11/43/1027401143.db2.gz QJFVCUUPQFWIRQ-VOFPXKNKSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nccs1 ZINC000273409245 1027414016 /nfs/dbraw/zinc/41/40/16/1027414016.db2.gz HNOLZWXFYQNQOO-NUJGCVRESA-N 2 1 329.513 3.889 20 0 EHADMP CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000453130742 1027433017 /nfs/dbraw/zinc/43/30/17/1027433017.db2.gz SOHBMDPALVAYDB-AABGKKOBSA-N 2 1 344.524 3.672 20 0 EHADMP CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000453130742 1027433026 /nfs/dbraw/zinc/43/30/26/1027433026.db2.gz SOHBMDPALVAYDB-AABGKKOBSA-N 2 1 344.524 3.672 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647899718 1027435298 /nfs/dbraw/zinc/43/52/98/1027435298.db2.gz TYZWTPPFRUYPQG-QUCCMNQESA-N 2 1 328.500 3.778 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647899718 1027435300 /nfs/dbraw/zinc/43/53/00/1027435300.db2.gz TYZWTPPFRUYPQG-QUCCMNQESA-N 2 1 328.500 3.778 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303846 1027454260 /nfs/dbraw/zinc/45/42/60/1027454260.db2.gz NQYPUNXCZHWGJA-XLIONFOSSA-N 2 1 340.467 3.583 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCCC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000420320745 1027466920 /nfs/dbraw/zinc/46/69/20/1027466920.db2.gz YZQJWNWGUAXBNM-ZDUSSCGKSA-N 2 1 335.439 3.596 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319050 1027467189 /nfs/dbraw/zinc/46/71/89/1027467189.db2.gz OUMHDEMKWLLZPE-VWKPWSFCSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319050 1027467199 /nfs/dbraw/zinc/46/71/99/1027467199.db2.gz OUMHDEMKWLLZPE-VWKPWSFCSA-N 2 1 347.462 3.761 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000420322102 1027469295 /nfs/dbraw/zinc/46/92/95/1027469295.db2.gz RXEKEHTXBLHGLE-ICSRJNTNSA-N 2 1 342.508 3.528 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337702 1027470224 /nfs/dbraw/zinc/47/02/24/1027470224.db2.gz WYKKWRVEXDWZBJ-LPHOPBHVSA-N 2 1 330.516 3.732 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331918 1027481545 /nfs/dbraw/zinc/48/15/45/1027481545.db2.gz CHAMPUPGIJEFAN-CABCVRRESA-N 2 1 331.485 3.533 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420400536 1027520560 /nfs/dbraw/zinc/52/05/60/1027520560.db2.gz OUBURVDFFUPRKX-PKOBYXMFSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420400536 1027520575 /nfs/dbraw/zinc/52/05/75/1027520575.db2.gz OUBURVDFFUPRKX-PKOBYXMFSA-N 2 1 325.456 3.614 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414654308 1027716363 /nfs/dbraw/zinc/71/63/63/1027716363.db2.gz BWRBXGAXZWVFMG-GHTZIAJQSA-N 2 1 338.495 3.867 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)o1 ZINC000564408325 1027717180 /nfs/dbraw/zinc/71/71/80/1027717180.db2.gz NMCQAJKRIQDCDX-YJBOKZPZSA-N 2 1 347.528 3.597 20 0 EHADMP Fc1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000091412808 1027722181 /nfs/dbraw/zinc/72/21/81/1027722181.db2.gz ZISVZJJRCCCWSM-DTDBQYNISA-N 2 1 338.854 3.526 20 0 EHADMP C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261831707 1027864195 /nfs/dbraw/zinc/86/41/95/1027864195.db2.gz JEMIQNRNSUURSM-XOBRGWDASA-N 2 1 330.422 3.766 20 0 EHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000132213674 1027898638 /nfs/dbraw/zinc/89/86/38/1027898638.db2.gz LJXVBAHQEMLGEE-UHFFFAOYSA-N 2 1 332.879 3.504 20 0 EHADMP C[N@H+](Cc1ccc(Br)cc1Cl)CC1CC[NH2+]CC1 ZINC000168251465 1027937110 /nfs/dbraw/zinc/93/71/10/1027937110.db2.gz NWHXNKSIBLPHLC-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)c1c[nH+]ccc1N ZINC000422823810 1027968783 /nfs/dbraw/zinc/96/87/83/1027968783.db2.gz FEUPHCBRSASJFG-PIGZYNQJSA-N 2 1 333.382 3.824 20 0 EHADMP N[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830626 1027975342 /nfs/dbraw/zinc/97/53/42/1027975342.db2.gz RFYRQXFSLLLVRM-VQTJNVASSA-N 2 1 341.524 3.695 20 0 EHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422902830 1028037304 /nfs/dbraw/zinc/03/73/04/1028037304.db2.gz NSYZQIIKBZBCCV-ZWKOTPCHSA-N 2 1 329.419 3.763 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]1 ZINC000414703407 1028053255 /nfs/dbraw/zinc/05/32/55/1028053255.db2.gz JRHAOMVIAFXLKN-OAGGEKHMSA-N 2 1 333.545 3.589 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(C)nn(C)c1C ZINC000133676191 1028053769 /nfs/dbraw/zinc/05/37/69/1028053769.db2.gz FYOSULSIXSOWOZ-LJQANCHMSA-N 2 1 332.536 3.875 20 0 EHADMP CC[NH2+][C@H](C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414708842 1028097269 /nfs/dbraw/zinc/09/72/69/1028097269.db2.gz JIICOJQGIIEXPL-MRXNPFEDSA-N 2 1 346.519 3.571 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000423131950 1028196392 /nfs/dbraw/zinc/19/63/92/1028196392.db2.gz UDKHILSZZLVPEN-VHSSKADRSA-N 2 1 326.440 3.808 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000161605227 1028205164 /nfs/dbraw/zinc/20/51/64/1028205164.db2.gz ZNPHUQYVBZGXHW-XJKSGUPXSA-N 2 1 326.406 3.809 20 0 EHADMP CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000414719454 1028221716 /nfs/dbraw/zinc/22/17/16/1028221716.db2.gz VIMFRVNWVGQGLL-CQSZACIVSA-N 2 1 331.287 3.966 20 0 EHADMP CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000414719454 1028221732 /nfs/dbraw/zinc/22/17/32/1028221732.db2.gz VIMFRVNWVGQGLL-CQSZACIVSA-N 2 1 331.287 3.966 20 0 EHADMP COc1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000423182859 1028227863 /nfs/dbraw/zinc/22/78/63/1028227863.db2.gz FWVVRWWTDWMUKU-HXUWFJFHSA-N 2 1 327.472 3.557 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(-c2ccncc2)c1 ZINC000423189323 1028257672 /nfs/dbraw/zinc/25/76/72/1028257672.db2.gz PEDHCBSJECMCGL-SFHVURJKSA-N 2 1 346.478 3.974 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CCCC2)o1 ZINC000423193092 1028261855 /nfs/dbraw/zinc/26/18/55/1028261855.db2.gz WKPRVNYDSAKWLW-HXUWFJFHSA-N 2 1 327.472 3.984 20 0 EHADMP Cn1ccnc1C[N@@H+](CCC1CCCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000414723861 1028271222 /nfs/dbraw/zinc/27/12/22/1028271222.db2.gz QPXQOUCZUVAANX-IBGZPJMESA-N 2 1 344.547 3.725 20 0 EHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(-c2ccccc2)nn1C ZINC000423261337 1028319908 /nfs/dbraw/zinc/31/99/08/1028319908.db2.gz JSBSZPZJNWLCQC-KXBFYZLASA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423290752 1028329652 /nfs/dbraw/zinc/32/96/52/1028329652.db2.gz FIDSQHQNYKIKMY-SVMVAKDDSA-N 3 1 337.511 3.707 20 0 EHADMP C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423290752 1028329668 /nfs/dbraw/zinc/32/96/68/1028329668.db2.gz FIDSQHQNYKIKMY-SVMVAKDDSA-N 2 1 337.511 3.707 20 0 EHADMP C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423290752 1028329688 /nfs/dbraw/zinc/32/96/88/1028329688.db2.gz FIDSQHQNYKIKMY-SVMVAKDDSA-N 2 1 337.511 3.707 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322282 1028348106 /nfs/dbraw/zinc/34/81/06/1028348106.db2.gz GKJJEZQPXNRLNL-JHVJFLLYSA-N 2 1 342.458 3.501 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322281 1028348915 /nfs/dbraw/zinc/34/89/15/1028348915.db2.gz GKJJEZQPXNRLNL-GQWLDOHISA-N 2 1 342.458 3.501 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423293801 1028350986 /nfs/dbraw/zinc/35/09/86/1028350986.db2.gz ASUXNUGLVKMMFI-YPMHNXCESA-N 2 1 329.282 3.626 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CCSCC1 ZINC000423368478 1028395770 /nfs/dbraw/zinc/39/57/70/1028395770.db2.gz NGCKQVWJYWUDSZ-XLWVJDPXSA-N 2 1 340.483 3.532 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000161982859 1028403125 /nfs/dbraw/zinc/40/31/25/1028403125.db2.gz JGBDXHUIWGCVKH-YFYLHZKVSA-N 2 1 325.456 3.645 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000237131708 1028424665 /nfs/dbraw/zinc/42/46/65/1028424665.db2.gz UZZVYPVTSBRSHP-JOCHJYFZSA-N 2 1 340.511 3.642 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423457466 1028448916 /nfs/dbraw/zinc/44/89/16/1028448916.db2.gz FTUSZODIUVQETL-OLUVUFQESA-N 2 1 329.307 3.559 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000582999645 1028488922 /nfs/dbraw/zinc/48/89/22/1028488922.db2.gz KNAVPAAQZAZSCA-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000582999645 1028488930 /nfs/dbraw/zinc/48/89/30/1028488930.db2.gz KNAVPAAQZAZSCA-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1Cl ZINC000423531269 1028483825 /nfs/dbraw/zinc/48/38/25/1028483825.db2.gz SEGWSBXMULHKSP-MZTPLVFXSA-N 2 1 349.906 3.548 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(OC)c1 ZINC000423531332 1028485049 /nfs/dbraw/zinc/48/50/49/1028485049.db2.gz SKNHRAPSDFWORH-PUGNBPNRSA-N 2 1 344.499 3.508 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423533813 1028487764 /nfs/dbraw/zinc/48/77/64/1028487764.db2.gz YUHNUXRYPMMZJQ-CYBMUJFWSA-N 2 1 332.879 3.627 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423533949 1028488262 /nfs/dbraw/zinc/48/82/62/1028488262.db2.gz UVNITFPSPFFHGH-LRDDRELGSA-N 2 1 330.501 3.682 20 0 EHADMP c1ccc([C@H](CC2CCC2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423525063 1028497804 /nfs/dbraw/zinc/49/78/04/1028497804.db2.gz XTQJZNAPXOKEMI-HRTMPFAESA-N 2 1 341.543 3.724 20 0 EHADMP C[C@@H](NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000247068367 1028738064 /nfs/dbraw/zinc/73/80/64/1028738064.db2.gz PZSCTGYJJPXVJS-BRWVUGGUSA-N 2 1 328.456 3.740 20 0 EHADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000247234727 1028762388 /nfs/dbraw/zinc/76/23/88/1028762388.db2.gz WNBHYXLOOFVDJX-PKOBYXMFSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000247234727 1028762406 /nfs/dbraw/zinc/76/24/06/1028762406.db2.gz WNBHYXLOOFVDJX-PKOBYXMFSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000247234727 1028762412 /nfs/dbraw/zinc/76/24/12/1028762412.db2.gz WNBHYXLOOFVDJX-PKOBYXMFSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000247234727 1028762422 /nfs/dbraw/zinc/76/24/22/1028762422.db2.gz WNBHYXLOOFVDJX-PKOBYXMFSA-N 2 1 344.499 3.543 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)s2)c1 ZINC000414775752 1028833625 /nfs/dbraw/zinc/83/36/25/1028833625.db2.gz GQOXALJODOSSEF-KGLIPLIRSA-N 2 1 333.526 3.693 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000513760483 1028836583 /nfs/dbraw/zinc/83/65/83/1028836583.db2.gz JNTFUWRAVVGDAD-JSXRDJHFSA-N 2 1 329.532 3.532 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000513760485 1028838806 /nfs/dbraw/zinc/83/88/06/1028838806.db2.gz JNTFUWRAVVGDAD-XRXFAXGQSA-N 2 1 329.532 3.532 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000248429162 1028901042 /nfs/dbraw/zinc/90/10/42/1028901042.db2.gz BCUCJBAHLSGICY-DLBZAZTESA-N 2 1 331.504 3.950 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000248439229 1028903984 /nfs/dbraw/zinc/90/39/84/1028903984.db2.gz IIUMUBQJTPZMPQ-NHCUHLMSSA-N 2 1 342.458 3.633 20 0 EHADMP Cc1cccc(-c2noc(CN3CCC(C[N@H+](C)C(C)C)CC3)n2)c1 ZINC000524155885 1028920280 /nfs/dbraw/zinc/92/02/80/1028920280.db2.gz GTAMBSMPIDXJFX-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP Cc1cccc(-c2noc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)n2)c1 ZINC000524155885 1028920293 /nfs/dbraw/zinc/92/02/93/1028920293.db2.gz GTAMBSMPIDXJFX-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP Cc1cccc(-c2noc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)c1 ZINC000524155885 1028920307 /nfs/dbraw/zinc/92/03/07/1028920307.db2.gz GTAMBSMPIDXJFX-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(-c3cccc(Cl)c3)o1)CC[NH2+]CC2 ZINC000424286044 1028928695 /nfs/dbraw/zinc/92/86/95/1028928695.db2.gz GUMAFAVTFCRWAN-CQSZACIVSA-N 2 1 345.874 3.959 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424289291 1028930544 /nfs/dbraw/zinc/93/05/44/1028930544.db2.gz BVMLPLMTBSSBPT-ZWKOTPCHSA-N 2 1 329.513 3.748 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1coc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424290546 1028932166 /nfs/dbraw/zinc/93/21/66/1028932166.db2.gz MUSGIHKVCAZTIZ-AWEZNQCLSA-N 2 1 345.874 3.959 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1coc(-c3cccc(Cl)c3)n1)CC[NH2+]CC2 ZINC000424298282 1028939534 /nfs/dbraw/zinc/93/95/34/1028939534.db2.gz UGQMRSDUZPXVJE-CQSZACIVSA-N 2 1 345.874 3.959 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000248739086 1028944417 /nfs/dbraw/zinc/94/44/17/1028944417.db2.gz PRVXTTINIIMTKY-KPACCLEDSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000248739086 1028944430 /nfs/dbraw/zinc/94/44/30/1028944430.db2.gz PRVXTTINIIMTKY-KPACCLEDSA-N 2 1 340.511 3.587 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)C[C@H]2C1 ZINC000424274394 1028948100 /nfs/dbraw/zinc/94/81/00/1028948100.db2.gz YSWAXQXXBUDALN-USTZCAOPSA-N 2 1 343.446 3.613 20 0 EHADMP CS[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1[NH+]1CCCC1 ZINC000445610763 1028988176 /nfs/dbraw/zinc/98/81/76/1028988176.db2.gz RXLWNBZHXPYXGF-QZTJIDSGSA-N 2 1 347.915 3.904 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1OC(F)(F)F)CC[NH2+]CC2 ZINC000424387112 1029042359 /nfs/dbraw/zinc/04/23/59/1029042359.db2.gz YENWUTZLVBWRKY-ZDUSSCGKSA-N 2 1 328.378 3.549 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789278 1029078113 /nfs/dbraw/zinc/07/81/13/1029078113.db2.gz YINIJLNWGTWFFQ-ZWKOTPCHSA-N 2 1 341.524 3.940 20 0 EHADMP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cncs1 ZINC000124699552 1029306250 /nfs/dbraw/zinc/30/62/50/1029306250.db2.gz YCHVUOIEJWDVBL-JYJNAYRXSA-N 2 1 329.513 3.950 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000162718068 1029328340 /nfs/dbraw/zinc/32/83/40/1029328340.db2.gz GRYSJHVKSFOPRG-DNVCBOLYSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000162718068 1029328355 /nfs/dbraw/zinc/32/83/55/1029328355.db2.gz GRYSJHVKSFOPRG-DNVCBOLYSA-N 2 1 343.446 3.833 20 0 EHADMP CC[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647937747 1029329927 /nfs/dbraw/zinc/32/99/27/1029329927.db2.gz AHUHGHLPAOOMOW-RXVVDRJESA-N 2 1 338.495 3.852 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479744 1029475941 /nfs/dbraw/zinc/47/59/41/1029475941.db2.gz MCKGEHPOJZNKSI-RCZSKKKRSA-N 2 1 338.495 3.529 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000583269826 1029482189 /nfs/dbraw/zinc/48/21/89/1029482189.db2.gz FNILCMGSQJAQGF-AZUAARDMSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000583269826 1029482197 /nfs/dbraw/zinc/48/21/97/1029482197.db2.gz FNILCMGSQJAQGF-AZUAARDMSA-N 2 1 330.422 3.932 20 0 EHADMP Brc1ccc([C@H]2CCC[N@H+]2CCCn2ccnc2)cc1 ZINC000343153346 1029513215 /nfs/dbraw/zinc/51/32/15/1029513215.db2.gz ZOVUYNFYFLHADC-MRXNPFEDSA-N 2 1 334.261 3.873 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414838355 1029523990 /nfs/dbraw/zinc/52/39/90/1029523990.db2.gz KLJXFTMRTUJDLP-QMMLZNLJSA-N 2 1 329.532 3.537 20 0 EHADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCCC1 ZINC000414838952 1029530573 /nfs/dbraw/zinc/53/05/73/1029530573.db2.gz LBDBWSUSQUILOB-HXUWFJFHSA-N 2 1 349.950 3.802 20 0 EHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159902 1029533138 /nfs/dbraw/zinc/53/31/38/1029533138.db2.gz DORBKGKDQAEBJE-SJCJKPOMSA-N 2 1 335.289 3.510 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCC[C@H](C)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261982262 1029546820 /nfs/dbraw/zinc/54/68/20/1029546820.db2.gz RLBJAMNDBIUBSV-OTWHNJEPSA-N 2 1 344.547 3.673 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414844189 1029562245 /nfs/dbraw/zinc/56/22/45/1029562245.db2.gz CNIPNDBHPHQRPJ-QWRGUYRKSA-N 2 1 331.685 3.580 20 0 EHADMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000729815024 1029568535 /nfs/dbraw/zinc/56/85/35/1029568535.db2.gz MMUKRCCQFQSXHO-QZTJIDSGSA-N 2 1 340.552 3.545 20 0 EHADMP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272704971 1029573337 /nfs/dbraw/zinc/57/33/37/1029573337.db2.gz TWJAXPNLCQYSBB-RBUKOAKNSA-N 2 1 341.543 3.898 20 0 EHADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000533308448 1029592370 /nfs/dbraw/zinc/59/23/70/1029592370.db2.gz VFNYVQBWFUFYCI-RTWAWAEBSA-N 2 1 343.559 3.773 20 0 EHADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000533308449 1029592500 /nfs/dbraw/zinc/59/25/00/1029592500.db2.gz VFNYVQBWFUFYCI-SFTDATJTSA-N 2 1 343.559 3.773 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000548792203 1029620020 /nfs/dbraw/zinc/62/00/20/1029620020.db2.gz HFDNKODXWRBKIF-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000548792203 1029620024 /nfs/dbraw/zinc/62/00/24/1029620024.db2.gz HFDNKODXWRBKIF-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708526 1029770712 /nfs/dbraw/zinc/77/07/12/1029770712.db2.gz BXLGJSIBBRXURV-YUXAGFNASA-N 2 1 344.543 3.818 20 0 EHADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(Br)cc2F)C1 ZINC000446744715 1029778556 /nfs/dbraw/zinc/77/85/56/1029778556.db2.gz OGZAJSMZFJKPQR-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446744715 1029778563 /nfs/dbraw/zinc/77/85/63/1029778563.db2.gz OGZAJSMZFJKPQR-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446744715 1029778569 /nfs/dbraw/zinc/77/85/69/1029778569.db2.gz OGZAJSMZFJKPQR-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[N@@H+](CCCNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000162739921 1029864605 /nfs/dbraw/zinc/86/46/05/1029864605.db2.gz CWAMAYXWPCHPHS-UHFFFAOYSA-N 2 1 343.559 3.895 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc4ccccc34)C2)C1 ZINC000650705575 1029980595 /nfs/dbraw/zinc/98/05/95/1029980595.db2.gz LTQUDHGQGYAWRJ-QGPMSJSTSA-N 2 1 330.497 3.620 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCCC[C@H]3[NH2+]CC2=CCOCC2)cc1 ZINC000453279105 1030018659 /nfs/dbraw/zinc/01/86/59/1030018659.db2.gz DWRPKCVKLQNULS-BHIFYINESA-N 2 1 340.511 3.614 20 0 EHADMP Cn1cc(Cl)c(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000453315466 1030091478 /nfs/dbraw/zinc/09/14/78/1030091478.db2.gz JARXICJDIQBIBE-UHFFFAOYSA-N 2 1 346.906 3.606 20 0 EHADMP Cc1cc2[nH]c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cc2c(C)c1 ZINC000481992067 1030150757 /nfs/dbraw/zinc/15/07/57/1030150757.db2.gz NNBNFLBYQWECLC-UHFFFAOYSA-N 2 1 336.483 3.973 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550794498 1030175059 /nfs/dbraw/zinc/17/50/59/1030175059.db2.gz HVFYQZGECYBTBM-ACRUOGEOSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550794498 1030175064 /nfs/dbraw/zinc/17/50/64/1030175064.db2.gz HVFYQZGECYBTBM-ACRUOGEOSA-N 2 1 330.516 3.743 20 0 EHADMP Fc1cccc(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1F ZINC000453362280 1030176490 /nfs/dbraw/zinc/17/64/90/1030176490.db2.gz NTMALFDZHNPFOW-MSOLQXFVSA-N 2 1 334.454 3.846 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000650719288 1030177464 /nfs/dbraw/zinc/17/74/64/1030177464.db2.gz KNOPNQOYHXMJDL-LAUBAEHRSA-N 3 1 329.532 3.539 20 0 EHADMP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000090937027 1030197466 /nfs/dbraw/zinc/19/74/66/1030197466.db2.gz DWTAISZHBXOHTP-SFHVURJKSA-N 2 1 349.425 3.541 20 0 EHADMP Cn1ccnc1[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000453401001 1030211921 /nfs/dbraw/zinc/21/19/21/1030211921.db2.gz MNPGLQVSKRBKGL-GOSISDBHSA-N 2 1 346.906 3.627 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3csc(C)n3)C2)s1 ZINC000583591416 1030220017 /nfs/dbraw/zinc/22/00/17/1030220017.db2.gz PITIJEULQYKSJH-INIZCTEOSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3csc(C)n3)C2)s1 ZINC000583591416 1030220027 /nfs/dbraw/zinc/22/00/27/1030220027.db2.gz PITIJEULQYKSJH-INIZCTEOSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3csc(C)n3)C2)s1 ZINC000583591416 1030220041 /nfs/dbraw/zinc/22/00/41/1030220041.db2.gz PITIJEULQYKSJH-INIZCTEOSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3csc(C)n3)C2)s1 ZINC000583591416 1030220050 /nfs/dbraw/zinc/22/00/50/1030220050.db2.gz PITIJEULQYKSJH-INIZCTEOSA-N 2 1 349.569 3.818 20 0 EHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650724433 1030224511 /nfs/dbraw/zinc/22/45/11/1030224511.db2.gz GDRVAWXJYUTHPG-YHINDDMVSA-N 2 1 342.527 3.858 20 0 EHADMP COc1cc(OC)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC000453392432 1030239851 /nfs/dbraw/zinc/23/98/51/1030239851.db2.gz FIVQCXUOSSNDSO-CYBMUJFWSA-N 2 1 340.895 3.882 20 0 EHADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000657773999 1030264061 /nfs/dbraw/zinc/26/40/61/1030264061.db2.gz WOQKQLIUCJVTKS-HXUWFJFHSA-N 2 1 335.495 3.782 20 0 EHADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000657773999 1030264074 /nfs/dbraw/zinc/26/40/74/1030264074.db2.gz WOQKQLIUCJVTKS-HXUWFJFHSA-N 2 1 335.495 3.782 20 0 EHADMP FC1(F)CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453422667 1030273830 /nfs/dbraw/zinc/27/38/30/1030273830.db2.gz MZLAGKJCHFCYPV-IPMKNSEASA-N 2 1 334.454 3.922 20 0 EHADMP C[C@H]1C[C@@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CCO1 ZINC001168142772 1030285627 /nfs/dbraw/zinc/28/56/27/1030285627.db2.gz LZRCVGLPUMMWGK-FPOVZHCZSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000447557437 1030298786 /nfs/dbraw/zinc/29/87/86/1030298786.db2.gz LULMWFACBJIHAL-PGRDOPGGSA-N 2 1 349.522 3.961 20 0 EHADMP Cc1cc(Br)c(C[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000453596750 1030355389 /nfs/dbraw/zinc/35/53/89/1030355389.db2.gz XWHAIZMLYPANNL-UHFFFAOYSA-N 2 1 342.306 3.894 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[NH+]1C1CC1 ZINC000447600873 1030356775 /nfs/dbraw/zinc/35/67/75/1030356775.db2.gz NIPIYKUKJKROGL-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447600873 1030356794 /nfs/dbraw/zinc/35/67/94/1030356794.db2.gz NIPIYKUKJKROGL-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000447600873 1030356812 /nfs/dbraw/zinc/35/68/12/1030356812.db2.gz NIPIYKUKJKROGL-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447600873 1030356827 /nfs/dbraw/zinc/35/68/27/1030356827.db2.gz NIPIYKUKJKROGL-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447600873 1030356845 /nfs/dbraw/zinc/35/68/45/1030356845.db2.gz NIPIYKUKJKROGL-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453594001 1030384876 /nfs/dbraw/zinc/38/48/76/1030384876.db2.gz UIPGEKJLBWDKQN-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453594001 1030384892 /nfs/dbraw/zinc/38/48/92/1030384892.db2.gz UIPGEKJLBWDKQN-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000532187889 1030466938 /nfs/dbraw/zinc/46/69/38/1030466938.db2.gz DDWPZDDRJIKBEY-MAUKXSAKSA-N 2 1 347.503 3.527 20 0 EHADMP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000482488208 1030470486 /nfs/dbraw/zinc/47/04/86/1030470486.db2.gz PYBMAVKUFGODDK-PXNSSMCTSA-N 2 1 329.532 3.837 20 0 EHADMP C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650748919 1030588493 /nfs/dbraw/zinc/58/84/93/1030588493.db2.gz CNRSOHVZYGRNIU-YYWHXJBOSA-N 2 1 335.495 3.523 20 0 EHADMP C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000482625952 1030599628 /nfs/dbraw/zinc/59/96/28/1030599628.db2.gz DHKNPLKZKQJDQE-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000482625952 1030599642 /nfs/dbraw/zinc/59/96/42/1030599642.db2.gz DHKNPLKZKQJDQE-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000648423738 1030618302 /nfs/dbraw/zinc/61/83/02/1030618302.db2.gz YDRXQVLGNHHMGS-DUXKGJEZSA-N 2 1 330.516 3.966 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCSC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000093504480 1030624476 /nfs/dbraw/zinc/62/44/76/1030624476.db2.gz IFKLAUQOGWVUBJ-UHFFFAOYSA-N 2 1 347.572 3.544 20 0 EHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448020453 1030650795 /nfs/dbraw/zinc/65/07/95/1030650795.db2.gz CCAHIUKVLHHTTD-CEXWTWQISA-N 2 1 332.536 3.546 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448020453 1030650802 /nfs/dbraw/zinc/65/08/02/1030650802.db2.gz CCAHIUKVLHHTTD-CEXWTWQISA-N 2 1 332.536 3.546 20 0 EHADMP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000583761137 1030663122 /nfs/dbraw/zinc/66/31/22/1030663122.db2.gz ICXJMSJLXGJXME-QFBILLFUSA-N 2 1 327.472 3.835 20 0 EHADMP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000583761137 1030663128 /nfs/dbraw/zinc/66/31/28/1030663128.db2.gz ICXJMSJLXGJXME-QFBILLFUSA-N 2 1 327.472 3.835 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000157586818 1030666496 /nfs/dbraw/zinc/66/64/96/1030666496.db2.gz FRDXYWLEKRHORI-MOPGFXCFSA-N 2 1 340.515 3.683 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)C[C@H](C)O1 ZINC000448068566 1030691198 /nfs/dbraw/zinc/69/11/98/1030691198.db2.gz BMQJIUNSOQXXEL-CALCHBBNSA-N 2 1 328.500 3.718 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000157650243 1030733346 /nfs/dbraw/zinc/73/33/46/1030733346.db2.gz NQABCCDJJHALSV-MSOLQXFVSA-N 2 1 330.516 3.823 20 0 EHADMP CCC(CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882590 1030757344 /nfs/dbraw/zinc/75/73/44/1030757344.db2.gz OPEJXGTTZWUANJ-LJQANCHMSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000550930482 1030816207 /nfs/dbraw/zinc/81/62/07/1030816207.db2.gz HMHXUVOEDBHKFO-FZMZJTMJSA-N 2 1 345.712 3.717 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000482949958 1030830050 /nfs/dbraw/zinc/83/00/50/1030830050.db2.gz WMOSCDVOEZHPCH-CRAIPNDOSA-N 2 1 334.467 3.660 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)CCS2 ZINC000343450498 1030934183 /nfs/dbraw/zinc/93/41/83/1030934183.db2.gz XMHIQMYVJRCQLY-SFHVURJKSA-N 2 1 334.529 3.944 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527651138 1031080888 /nfs/dbraw/zinc/08/08/88/1031080888.db2.gz XHGXLTNSMYMZKR-ZDUSSCGKSA-N 2 1 330.394 3.534 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527651138 1031080906 /nfs/dbraw/zinc/08/09/06/1031080906.db2.gz XHGXLTNSMYMZKR-ZDUSSCGKSA-N 2 1 330.394 3.534 20 0 EHADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(OC)CCCC1 ZINC000483296643 1031096126 /nfs/dbraw/zinc/09/61/26/1031096126.db2.gz RXKGYTLWWDALIU-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(OC)CCCC1 ZINC000483296643 1031096137 /nfs/dbraw/zinc/09/61/37/1031096137.db2.gz RXKGYTLWWDALIU-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(OC)CCCC1 ZINC000483296643 1031096156 /nfs/dbraw/zinc/09/61/56/1031096156.db2.gz RXKGYTLWWDALIU-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000476989800 1031150500 /nfs/dbraw/zinc/15/05/00/1031150500.db2.gz VQRAGPXLKKLBPO-KRWDZBQOSA-N 2 1 338.536 3.695 20 0 EHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263816 1031176901 /nfs/dbraw/zinc/17/69/01/1031176901.db2.gz UELDRLMSUPLTSY-ZJOUEHCJSA-N 2 1 344.543 3.939 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+]C3CC[NH+](C)CC3)cc2cc1OC ZINC000657822755 1031561954 /nfs/dbraw/zinc/56/19/54/1031561954.db2.gz ASBMMSMYHIWWHM-AWEZNQCLSA-N 2 1 328.456 3.602 20 0 EHADMP Cc1ccccc1C[N@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551696779 1031572305 /nfs/dbraw/zinc/57/23/05/1031572305.db2.gz KXPCJSGTBBSKFY-QFIPXVFZSA-N 2 1 338.495 3.718 20 0 EHADMP Cc1ccccc1C[N@@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551696779 1031572328 /nfs/dbraw/zinc/57/23/28/1031572328.db2.gz KXPCJSGTBBSKFY-QFIPXVFZSA-N 2 1 338.495 3.718 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCC3)CC2)C1 ZINC000528015433 1031631984 /nfs/dbraw/zinc/63/19/84/1031631984.db2.gz XKQNGDIZNBJKSX-JRGCBEDISA-N 2 1 333.564 3.636 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000178159477 1031664053 /nfs/dbraw/zinc/66/40/53/1031664053.db2.gz JUJHOCBFIJJXPH-AEGPPILISA-N 2 1 328.378 3.863 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000551795703 1031676348 /nfs/dbraw/zinc/67/63/48/1031676348.db2.gz QHCSEEFCTHTTTB-GJZGRUSLSA-N 2 1 339.911 3.906 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000178917660 1031720240 /nfs/dbraw/zinc/72/02/40/1031720240.db2.gz PPYMILCQZICBGU-HNNXBMFYSA-N 2 1 338.430 3.819 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484646391 1031840206 /nfs/dbraw/zinc/84/02/06/1031840206.db2.gz XSOQUYHUNSQMSF-AZUAARDMSA-N 2 1 327.472 3.870 20 0 EHADMP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000528189730 1031867061 /nfs/dbraw/zinc/86/70/61/1031867061.db2.gz NLJBUNGYKWGZID-UHFFFAOYSA-N 2 1 345.874 3.579 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCc2c(C)noc2C)CC1)CC1CC1 ZINC000537849876 1031976762 /nfs/dbraw/zinc/97/67/62/1031976762.db2.gz WYQLLBMBHFWZHB-UHFFFAOYSA-N 2 1 333.520 3.668 20 0 EHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000584259465 1032021444 /nfs/dbraw/zinc/02/14/44/1032021444.db2.gz NYHWVNADBQVTCA-TZIWHRDSSA-N 2 1 343.559 3.703 20 0 EHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939900 1032026804 /nfs/dbraw/zinc/02/68/04/1032026804.db2.gz KWIZOYWLMKHRPU-FPOVZHCZSA-N 3 1 343.559 3.609 20 0 EHADMP CCC1(C[NH2+][C@H]2CCN(C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939900 1032026820 /nfs/dbraw/zinc/02/68/20/1032026820.db2.gz KWIZOYWLMKHRPU-FPOVZHCZSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)C1 ZINC000657837595 1032033042 /nfs/dbraw/zinc/03/30/42/1032033042.db2.gz URBFLPDBIOYRIB-XLIONFOSSA-N 2 1 338.499 3.740 20 0 EHADMP CCC[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457920 1033348884 /nfs/dbraw/zinc/34/88/84/1033348884.db2.gz SUAYXYGLLWNEMS-IRLDBZIGSA-N 2 1 343.559 3.671 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000685462175 1033356672 /nfs/dbraw/zinc/35/66/72/1033356672.db2.gz QHRWCWWUWQDRLS-MRXNPFEDSA-N 2 1 345.487 3.900 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000685462175 1033356687 /nfs/dbraw/zinc/35/66/87/1033356687.db2.gz QHRWCWWUWQDRLS-MRXNPFEDSA-N 2 1 345.487 3.900 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000685476418 1033379637 /nfs/dbraw/zinc/37/96/37/1033379637.db2.gz PNDRNHCKBRDBNW-LJQANCHMSA-N 2 1 341.543 3.839 20 0 EHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c(C)o1 ZINC000594605348 1033473066 /nfs/dbraw/zinc/47/30/66/1033473066.db2.gz KHAFYDKHZRJKCO-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP Clc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655765163 1033640051 /nfs/dbraw/zinc/64/00/51/1033640051.db2.gz ZQVWXMMBAGZEHS-NSISKUIASA-N 2 1 348.918 3.819 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001168114782 1033645302 /nfs/dbraw/zinc/64/53/02/1033645302.db2.gz JHZANOXYJVDLFK-DLBZAZTESA-N 2 1 334.529 3.604 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598995185 1033647096 /nfs/dbraw/zinc/64/70/96/1033647096.db2.gz VNILKEBDCRCCTF-CQSZACIVSA-N 2 1 338.517 3.525 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598995185 1033647102 /nfs/dbraw/zinc/64/71/02/1033647102.db2.gz VNILKEBDCRCCTF-CQSZACIVSA-N 2 1 338.517 3.525 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001168114786 1033665248 /nfs/dbraw/zinc/66/52/48/1033665248.db2.gz JHZANOXYJVDLFK-IAGOWNOFSA-N 2 1 334.529 3.604 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550621505 1033734132 /nfs/dbraw/zinc/73/41/32/1033734132.db2.gz CYDDWXGBPAUEOV-WCQYABFASA-N 2 1 343.334 3.819 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550621505 1033734148 /nfs/dbraw/zinc/73/41/48/1033734148.db2.gz CYDDWXGBPAUEOV-WCQYABFASA-N 2 1 343.334 3.819 20 0 EHADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621629 1033743923 /nfs/dbraw/zinc/74/39/23/1033743923.db2.gz MNCQOCZXMKAITA-YPAWHYETSA-N 2 1 343.559 3.922 20 0 EHADMP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000574993294 1033754263 /nfs/dbraw/zinc/75/42/63/1033754263.db2.gz NYMZYXNWVKNISU-UHFFFAOYSA-N 2 1 330.497 3.616 20 0 EHADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000657983029 1033799540 /nfs/dbraw/zinc/79/95/40/1033799540.db2.gz QIVNQHIGTCZBDP-NSHDSACASA-N 2 1 345.796 3.856 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3c(C4CCC4)cnn3C)CC2)C1 ZINC000658269182 1034132841 /nfs/dbraw/zinc/13/28/41/1034132841.db2.gz TXACINLDPKYUMG-APWZRJJASA-N 2 1 344.547 3.820 20 0 EHADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168328477 1034188855 /nfs/dbraw/zinc/18/88/55/1034188855.db2.gz IBDQPONHYMKYMT-ZXDFIECXSA-N 2 1 343.559 3.702 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@]1(C)CCCO1 ZINC000658318379 1034194457 /nfs/dbraw/zinc/19/44/57/1034194457.db2.gz PJNBCGQNOYQFFL-TYPHKJRUSA-N 2 1 342.527 3.836 20 0 EHADMP CC1(C)OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658333772 1034204231 /nfs/dbraw/zinc/20/42/31/1034204231.db2.gz ZDDPINWDBAWRGH-LWYYNNOASA-N 2 1 328.500 3.587 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168333611 1034281010 /nfs/dbraw/zinc/28/10/10/1034281010.db2.gz AOEBWLBKIJDLJG-SOAGJPPSSA-N 2 1 344.499 3.873 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000534298948 1034357677 /nfs/dbraw/zinc/35/76/77/1034357677.db2.gz LTJVLVWIVXQNIX-OAHLLOKOSA-N 2 1 326.469 3.681 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000534298948 1034357688 /nfs/dbraw/zinc/35/76/88/1034357688.db2.gz LTJVLVWIVXQNIX-OAHLLOKOSA-N 2 1 326.469 3.681 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@H]1c1ccccc1 ZINC000340207432 1034467167 /nfs/dbraw/zinc/46/71/67/1034467167.db2.gz YHQFSROQDKVPIN-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@H]1c1ccccc1 ZINC000340207432 1034467173 /nfs/dbraw/zinc/46/71/73/1034467173.db2.gz YHQFSROQDKVPIN-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340225074 1034475841 /nfs/dbraw/zinc/47/58/41/1034475841.db2.gz FQMOOZKSIMRLAZ-MSOLQXFVSA-N 2 1 342.487 3.551 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340225074 1034475849 /nfs/dbraw/zinc/47/58/49/1034475849.db2.gz FQMOOZKSIMRLAZ-MSOLQXFVSA-N 2 1 342.487 3.551 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450641991 1034607372 /nfs/dbraw/zinc/60/73/72/1034607372.db2.gz OTQOBNXQECZTGQ-SFHVURJKSA-N 2 1 346.506 3.882 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695303 1035117930 /nfs/dbraw/zinc/11/79/30/1035117930.db2.gz RHZJBUUPZMMPMT-RTBURBONSA-N 2 1 330.516 3.834 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695303 1035117938 /nfs/dbraw/zinc/11/79/38/1035117938.db2.gz RHZJBUUPZMMPMT-RTBURBONSA-N 2 1 330.516 3.834 20 0 EHADMP c1nn2ccccc2c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376121870 1035299953 /nfs/dbraw/zinc/29/99/53/1035299953.db2.gz BPINTQOUHBOVEN-WKCHPHFGSA-N 2 1 346.478 3.620 20 0 EHADMP c1nn2ccccc2c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376121870 1035299956 /nfs/dbraw/zinc/29/99/56/1035299956.db2.gz BPINTQOUHBOVEN-WKCHPHFGSA-N 2 1 346.478 3.620 20 0 EHADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498181 1035353823 /nfs/dbraw/zinc/35/38/23/1035353823.db2.gz CEBTVHNUMSTRST-ROUUACIJSA-N 2 1 334.504 3.679 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498181 1035353826 /nfs/dbraw/zinc/35/38/26/1035353826.db2.gz CEBTVHNUMSTRST-ROUUACIJSA-N 2 1 334.504 3.679 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000187132836 1035768918 /nfs/dbraw/zinc/76/89/18/1035768918.db2.gz MHHVEQJFBITJIZ-QGZVFWFLSA-N 2 1 339.483 3.579 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000414176749 1035908675 /nfs/dbraw/zinc/90/86/75/1035908675.db2.gz ICDCBOMESACSFO-SESVDKBCSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000414176749 1035908688 /nfs/dbraw/zinc/90/86/88/1035908688.db2.gz ICDCBOMESACSFO-SESVDKBCSA-N 2 1 339.483 3.763 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000414177600 1035915118 /nfs/dbraw/zinc/91/51/18/1035915118.db2.gz JXBWTOLJRVTSCU-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000414201891 1036031074 /nfs/dbraw/zinc/03/10/74/1036031074.db2.gz YIIWYQSZVJXHBQ-YMQHIKHWSA-N 2 1 340.511 3.729 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(CC)c2)CC1 ZINC000613492896 1036083882 /nfs/dbraw/zinc/08/38/82/1036083882.db2.gz RBHMNXQPTCPEDZ-UHFFFAOYSA-N 2 1 345.531 3.631 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(CC)c2)CC1 ZINC000613492896 1036083903 /nfs/dbraw/zinc/08/39/03/1036083903.db2.gz RBHMNXQPTCPEDZ-UHFFFAOYSA-N 2 1 345.531 3.631 20 0 EHADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000464094947 1036108036 /nfs/dbraw/zinc/10/80/36/1036108036.db2.gz INHZUKXLFWVCBS-WOJBJXKFSA-N 2 1 342.527 3.803 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000892570779 1036198104 /nfs/dbraw/zinc/19/81/04/1036198104.db2.gz OAGHMEIFTAVTRO-QGZVFWFLSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000892570779 1036198110 /nfs/dbraw/zinc/19/81/10/1036198110.db2.gz OAGHMEIFTAVTRO-QGZVFWFLSA-N 2 1 338.499 3.882 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000190765134 1036292420 /nfs/dbraw/zinc/29/24/20/1036292420.db2.gz AQAKHMBGHUUDPO-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP Fc1ccc(C[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168387704 1036294013 /nfs/dbraw/zinc/29/40/13/1036294013.db2.gz QLBNPVZFHQDCGX-IBGZPJMESA-N 2 1 330.491 3.955 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414258778 1036323841 /nfs/dbraw/zinc/32/38/41/1036323841.db2.gz HJUSSZSCUYBNJA-PXNSSMCTSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414258775 1036324397 /nfs/dbraw/zinc/32/43/97/1036324397.db2.gz HJUSSZSCUYBNJA-FXAWDEMLSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@H](C)O1 ZINC000414262961 1036346557 /nfs/dbraw/zinc/34/65/57/1036346557.db2.gz PAQQPIWAXZXGLX-XQKZDWMGSA-N 2 1 342.527 3.690 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)OCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414278223 1036426381 /nfs/dbraw/zinc/42/63/81/1036426381.db2.gz YBJULSCZGCTMJM-YLJYHZDGSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000572661989 1036449318 /nfs/dbraw/zinc/44/93/18/1036449318.db2.gz YBWHBDNXTDRNJI-FUHIMQAGSA-N 2 1 338.499 3.736 20 0 EHADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2ccc(Cl)cc21 ZINC000574977261 1036496582 /nfs/dbraw/zinc/49/65/82/1036496582.db2.gz FMDBXUPKFVWMAE-QYZOEREBSA-N 2 1 345.918 3.837 20 0 EHADMP CCc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3C)CC2)cs1 ZINC000192587308 1036530678 /nfs/dbraw/zinc/53/06/78/1036530678.db2.gz RMAFEFXVZOXIRS-UHFFFAOYSA-N 2 1 330.501 3.733 20 0 EHADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310071071 1036770035 /nfs/dbraw/zinc/77/00/35/1036770035.db2.gz DHRGLZKDSRUCIO-HKUYNNGSSA-N 2 1 326.459 3.868 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@@H]3CCN4CCCC[C@H]34)cc2)cc1 ZINC000310367153 1036820508 /nfs/dbraw/zinc/82/05/08/1036820508.db2.gz FYERMMKNXXDDSO-FGZHOGPDSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC000310367153 1036820527 /nfs/dbraw/zinc/82/05/27/1036820527.db2.gz FYERMMKNXXDDSO-FGZHOGPDSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC000310367153 1036820543 /nfs/dbraw/zinc/82/05/43/1036820543.db2.gz FYERMMKNXXDDSO-FGZHOGPDSA-N 2 1 336.479 3.982 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000539512939 1036837801 /nfs/dbraw/zinc/83/78/01/1036837801.db2.gz WQWVCLQEBFJBAO-SJLPKXTDSA-N 2 1 334.504 3.692 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000539512939 1036837813 /nfs/dbraw/zinc/83/78/13/1036837813.db2.gz WQWVCLQEBFJBAO-SJLPKXTDSA-N 2 1 334.504 3.692 20 0 EHADMP CC1([NH3+])CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000647530812 1036908767 /nfs/dbraw/zinc/90/87/67/1036908767.db2.gz HRHIMLXDIYWDNC-UHFFFAOYSA-N 2 1 346.478 3.853 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310875009 1036917440 /nfs/dbraw/zinc/91/74/40/1036917440.db2.gz VARDKJRDUWQLBJ-BVOGOJNSSA-N 2 1 342.527 3.834 20 0 EHADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000462397598 1036924559 /nfs/dbraw/zinc/92/45/59/1036924559.db2.gz VTALWGYDZDNVIO-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000462397598 1036924574 /nfs/dbraw/zinc/92/45/74/1036924574.db2.gz VTALWGYDZDNVIO-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C(C)(C)O1 ZINC000311042356 1036946914 /nfs/dbraw/zinc/94/69/14/1036946914.db2.gz FFSBSCVOFYGFHT-WTGUMLROSA-N 2 1 342.527 3.833 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCc3cc(F)ccc3C2)[nH+]1 ZINC001168448861 1037017529 /nfs/dbraw/zinc/01/75/29/1037017529.db2.gz QRNOZIVXXOGTEF-FQEVSTJZSA-N 2 1 339.458 3.645 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000303023095 1037018831 /nfs/dbraw/zinc/01/88/31/1037018831.db2.gz NHOUIBOZPLRZEO-GOSISDBHSA-N 2 1 334.479 3.648 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000303023095 1037018849 /nfs/dbraw/zinc/01/88/49/1037018849.db2.gz NHOUIBOZPLRZEO-GOSISDBHSA-N 2 1 334.479 3.648 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310982563 1037044737 /nfs/dbraw/zinc/04/47/37/1037044737.db2.gz GESZWLZZSHRYFD-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543032 1037063796 /nfs/dbraw/zinc/06/37/96/1037063796.db2.gz GVROSUUAZLPGMU-RTBURBONSA-N 2 1 338.499 3.597 20 0 EHADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542822 1037067691 /nfs/dbraw/zinc/06/76/91/1037067691.db2.gz CLBAWULNRLZJQP-QZTJIDSGSA-N 2 1 325.456 3.553 20 0 EHADMP Brc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543789 1037094526 /nfs/dbraw/zinc/09/45/26/1037094526.db2.gz SACYNUABAFXHAC-CHWSQXEVSA-N 2 1 343.334 3.722 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000647544123 1037097988 /nfs/dbraw/zinc/09/79/88/1037097988.db2.gz XBULSMWOAXLSRW-RBUKOAKNSA-N 2 1 344.547 3.679 20 0 EHADMP C[C@@]1(C[NH2+][C@@H]2CCCc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310885146 1037321920 /nfs/dbraw/zinc/32/19/20/1037321920.db2.gz JBOZRXBSFOBNHV-IRLDBZIGSA-N 2 1 335.495 3.961 20 0 EHADMP C[C@@]1(C[NH2+][C@@H]2CCCc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310885146 1037321935 /nfs/dbraw/zinc/32/19/35/1037321935.db2.gz JBOZRXBSFOBNHV-IRLDBZIGSA-N 2 1 335.495 3.961 20 0 EHADMP CCC(C)(C)C1CCC([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000462749197 1037362712 /nfs/dbraw/zinc/36/27/12/1037362712.db2.gz OKCQAYSOHVYRBP-UHFFFAOYSA-N 2 1 337.596 3.845 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1)CC1CC1 ZINC000539957580 1037406692 /nfs/dbraw/zinc/40/66/92/1037406692.db2.gz WSQSJZBYXUGGIR-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1)CC1CC1 ZINC000539957580 1037406699 /nfs/dbraw/zinc/40/66/99/1037406699.db2.gz WSQSJZBYXUGGIR-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1)CC1CC1 ZINC000539957580 1037406709 /nfs/dbraw/zinc/40/67/09/1037406709.db2.gz WSQSJZBYXUGGIR-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000462806665 1037426175 /nfs/dbraw/zinc/42/61/75/1037426175.db2.gz JZRMZTSQMKQTEP-BDKRGJGYSA-N 2 1 342.527 3.692 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(CC)cc2)CC1 ZINC000303506065 1037486053 /nfs/dbraw/zinc/48/60/53/1037486053.db2.gz BJFNCTUZJMBLHG-UHFFFAOYSA-N 2 1 345.531 3.631 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(CC)cc2)CC1 ZINC000303506065 1037486065 /nfs/dbraw/zinc/48/60/65/1037486065.db2.gz BJFNCTUZJMBLHG-UHFFFAOYSA-N 2 1 345.531 3.631 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493883866 1037697313 /nfs/dbraw/zinc/69/73/13/1037697313.db2.gz SRGHUZLIKRAUOX-PELRDEGISA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116834 1037786083 /nfs/dbraw/zinc/78/60/83/1037786083.db2.gz SFZZKTZMOWYWRX-GHTZIAJQSA-N 2 1 337.511 3.895 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116834 1037786089 /nfs/dbraw/zinc/78/60/89/1037786089.db2.gz SFZZKTZMOWYWRX-GHTZIAJQSA-N 2 1 337.511 3.895 20 0 EHADMP Clc1ccc(C[NH+]2CCC(NCC[NH+]3CCCCCC3)CC2)cc1 ZINC000463138325 1037799951 /nfs/dbraw/zinc/79/99/51/1037799951.db2.gz OVGJHHNSNJUTHD-UHFFFAOYSA-N 2 1 349.950 3.770 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC[NH+](C)C ZINC000540403892 1037899524 /nfs/dbraw/zinc/89/95/24/1037899524.db2.gz LDRBFSWHMBZWKP-ABAIWWIYSA-N 2 1 343.334 3.773 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463238363 1037922273 /nfs/dbraw/zinc/92/22/73/1037922273.db2.gz UZVDHHGBJSGNNC-HOJAQTOUSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463238363 1037922277 /nfs/dbraw/zinc/92/22/77/1037922277.db2.gz UZVDHHGBJSGNNC-HOJAQTOUSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463272347 1037976086 /nfs/dbraw/zinc/97/60/86/1037976086.db2.gz PGTKUIGMSYTLAK-STZQEDGTSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463272347 1037976097 /nfs/dbraw/zinc/97/60/97/1037976097.db2.gz PGTKUIGMSYTLAK-STZQEDGTSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125057362 1038272994 /nfs/dbraw/zinc/27/29/94/1038272994.db2.gz ATWAZKKFLAJQSE-WIYYLYMNSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000125057362 1038273003 /nfs/dbraw/zinc/27/30/03/1038273003.db2.gz ATWAZKKFLAJQSE-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000125057362 1038273012 /nfs/dbraw/zinc/27/30/12/1038273012.db2.gz ATWAZKKFLAJQSE-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125057362 1038273019 /nfs/dbraw/zinc/27/30/19/1038273019.db2.gz ATWAZKKFLAJQSE-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000538726571 1038508446 /nfs/dbraw/zinc/50/84/46/1038508446.db2.gz FKQILFJNHPXVRM-HKUYNNGSSA-N 2 1 329.532 3.837 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1cn(C)cn1 ZINC000924672251 1038519844 /nfs/dbraw/zinc/51/98/44/1038519844.db2.gz DGISVWINSIUEDD-KRWDZBQOSA-N 2 1 326.488 3.503 20 0 EHADMP COc1ccc([C@@H](C)NCC[N@H+](C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182756557 1038634280 /nfs/dbraw/zinc/63/42/80/1038634280.db2.gz GLNHWAUEWBONJY-GOSISDBHSA-N 2 1 347.547 3.672 20 0 EHADMP COc1ccc([C@@H](C)NCC[N@@H+](C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182756557 1038634283 /nfs/dbraw/zinc/63/42/83/1038634283.db2.gz GLNHWAUEWBONJY-GOSISDBHSA-N 2 1 347.547 3.672 20 0 EHADMP Cc1ccc(CC[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073018 1038670489 /nfs/dbraw/zinc/67/04/89/1038670489.db2.gz GYGABILPQRUXKN-SLFFLAALSA-N 2 1 332.532 3.795 20 0 EHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000668817849 1038791806 /nfs/dbraw/zinc/79/18/06/1038791806.db2.gz AWBAVPKUYWCROT-QFBILLFUSA-N 2 1 348.506 3.725 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000552098997 1038985210 /nfs/dbraw/zinc/98/52/10/1038985210.db2.gz VSDHBHLLLYGYBO-GDBMZVCRSA-N 2 1 326.406 3.972 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000093088929 1038992671 /nfs/dbraw/zinc/99/26/71/1038992671.db2.gz JMZVACGJAWJOEB-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000480080003 1039116741 /nfs/dbraw/zinc/11/67/41/1039116741.db2.gz KREJGZALTWJAQR-CTNGQTDRSA-N 2 1 331.548 3.605 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000480094124 1039145539 /nfs/dbraw/zinc/14/55/39/1039145539.db2.gz OTXYEFAGPBFJFA-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCc5cccnc54)C[C@@H]3C2)cc1 ZINC000898517129 1039187206 /nfs/dbraw/zinc/18/72/06/1039187206.db2.gz JKQYGUSWILZOBN-LRSLUSHPSA-N 2 1 347.506 3.959 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C[C@@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC000898520250 1039192836 /nfs/dbraw/zinc/19/28/36/1039192836.db2.gz WQYQUKIWALWMCI-ZGXWSNOMSA-N 2 1 330.541 3.630 20 0 EHADMP c1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898521695 1039194685 /nfs/dbraw/zinc/19/46/85/1039194685.db2.gz GIQZGKHJGQRFAF-FGTMMUONSA-N 2 1 327.497 3.533 20 0 EHADMP COc1cccc(SCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000660113675 1039198279 /nfs/dbraw/zinc/19/82/79/1039198279.db2.gz COCVVIASBRGNLQ-OXJNMPFZSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113675 1039198288 /nfs/dbraw/zinc/19/82/88/1039198288.db2.gz COCVVIASBRGNLQ-OXJNMPFZSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113675 1039198300 /nfs/dbraw/zinc/19/83/00/1039198300.db2.gz COCVVIASBRGNLQ-OXJNMPFZSA-N 2 1 346.540 3.736 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000667629584 1039223810 /nfs/dbraw/zinc/22/38/10/1039223810.db2.gz IUKALZUIUYVZAD-GFCCVEGCSA-N 2 1 337.261 3.579 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000667629584 1039223822 /nfs/dbraw/zinc/22/38/22/1039223822.db2.gz IUKALZUIUYVZAD-GFCCVEGCSA-N 2 1 337.261 3.579 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000432812615 1039339906 /nfs/dbraw/zinc/33/99/06/1039339906.db2.gz JIVIRIQPQMPDMS-LJQANCHMSA-N 2 1 348.494 3.942 20 0 EHADMP Fc1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2CC2)cc1 ZINC000667648530 1039347818 /nfs/dbraw/zinc/34/78/18/1039347818.db2.gz UYVSXQBBKYIQMT-UHFFFAOYSA-N 2 1 336.414 3.819 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000660155899 1039424240 /nfs/dbraw/zinc/42/42/40/1039424240.db2.gz DUIJKVVBWLKADT-UHFFFAOYSA-N 2 1 344.421 3.981 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)c1 ZINC000554560748 1039476556 /nfs/dbraw/zinc/47/65/56/1039476556.db2.gz CGVDXMKRIPFGBI-SJLPKXTDSA-N 2 1 334.529 3.509 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)c1 ZINC000554560748 1039476567 /nfs/dbraw/zinc/47/65/67/1039476567.db2.gz CGVDXMKRIPFGBI-SJLPKXTDSA-N 2 1 334.529 3.509 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362899 1039493607 /nfs/dbraw/zinc/49/36/07/1039493607.db2.gz MNDNEBAYULGKTC-UHFFFAOYSA-N 2 1 337.305 3.722 20 0 EHADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000480608277 1039748806 /nfs/dbraw/zinc/74/88/06/1039748806.db2.gz CMMKUPZDCLDHAO-IAGOWNOFSA-N 2 1 334.504 3.867 20 0 EHADMP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000480610589 1039751858 /nfs/dbraw/zinc/75/18/58/1039751858.db2.gz OQDRPYKAMPTUFC-CEXWTWQISA-N 2 1 348.531 3.730 20 0 EHADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)C1 ZINC000907062111 1039910467 /nfs/dbraw/zinc/91/04/67/1039910467.db2.gz OVPPZCNAGKDNGS-IBGZPJMESA-N 2 1 343.515 3.651 20 0 EHADMP C[C@@H](N[C@@H](C)C[NH+]1CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480719008 1039944730 /nfs/dbraw/zinc/94/47/30/1039944730.db2.gz WXPNFQMTOAMNIM-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310420755 1039958808 /nfs/dbraw/zinc/95/88/08/1039958808.db2.gz YWTZCOKEKTZHRJ-PXNSSMCTSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)C1 ZINC000667785202 1040188136 /nfs/dbraw/zinc/18/81/36/1040188136.db2.gz JKJPXRTUOGKGCZ-TYCQWZJGSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000390286405 1040248472 /nfs/dbraw/zinc/24/84/72/1040248472.db2.gz NKQXVUPGVFOOEY-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000390286405 1040248482 /nfs/dbraw/zinc/24/84/82/1040248482.db2.gz NKQXVUPGVFOOEY-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000119862604 1040278364 /nfs/dbraw/zinc/27/83/64/1040278364.db2.gz PAYHXEKSJDPPSG-HNNXBMFYSA-N 2 1 334.504 3.755 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C3CCC3)cnn2C)CC1 ZINC000667501634 1040311765 /nfs/dbraw/zinc/31/17/65/1040311765.db2.gz DTAOMDDWTVZFCJ-UHFFFAOYSA-N 2 1 332.536 3.632 20 0 EHADMP CC(C)CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000555234804 1040322011 /nfs/dbraw/zinc/32/20/11/1040322011.db2.gz AZSNYHCJRZYZNE-LEWJYISDSA-N 2 1 330.516 3.558 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479517428 1040336696 /nfs/dbraw/zinc/33/66/96/1040336696.db2.gz OQNGZZCTNVLVFB-LJQANCHMSA-N 2 1 336.907 3.806 20 0 EHADMP c1cc2c(cc[nH+]c2N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000663905799 1040360235 /nfs/dbraw/zinc/36/02/35/1040360235.db2.gz LVKFXAWLMYLWPY-OAQYLSRUSA-N 2 1 332.451 3.665 20 0 EHADMP c1ccc(-c2noc([C@H]3CCCC[N@@H+]3CCC3CC[NH2+]CC3)n2)cc1 ZINC000479671713 1040499895 /nfs/dbraw/zinc/49/98/95/1040499895.db2.gz AYWMLIAPNALYEL-GOSISDBHSA-N 2 1 340.471 3.653 20 0 EHADMP COCCCC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000894112141 1040668599 /nfs/dbraw/zinc/66/85/99/1040668599.db2.gz AGTUIKABEVLZFR-UHFFFAOYSA-N 2 1 345.531 3.996 20 0 EHADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311104884 1040676420 /nfs/dbraw/zinc/67/64/20/1040676420.db2.gz QPBDLUZTNMINMY-JOZSIVFUSA-N 2 1 342.527 3.690 20 0 EHADMP CSC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000433098599 1040737760 /nfs/dbraw/zinc/73/77/60/1040737760.db2.gz WCINQQXKBYKLQE-CEXWTWQISA-N 2 1 330.541 3.772 20 0 EHADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924873088 1040844690 /nfs/dbraw/zinc/84/46/90/1040844690.db2.gz JSLOHMUPIRUESP-YQVWRLOYSA-N 2 1 338.561 3.879 20 0 EHADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924873088 1040844702 /nfs/dbraw/zinc/84/47/02/1040844702.db2.gz JSLOHMUPIRUESP-YQVWRLOYSA-N 2 1 338.561 3.879 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001167752545 1040848614 /nfs/dbraw/zinc/84/86/14/1040848614.db2.gz VXIZRTDJDAOBMB-MJGOQNOKSA-N 2 1 330.520 3.915 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001167752545 1040848635 /nfs/dbraw/zinc/84/86/35/1040848635.db2.gz VXIZRTDJDAOBMB-MJGOQNOKSA-N 2 1 330.520 3.915 20 0 EHADMP Cc1cccc([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390560501 1041007911 /nfs/dbraw/zinc/00/79/11/1041007911.db2.gz MLXLYQPEPKEPQI-UGKGYDQZSA-N 2 1 338.495 3.937 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)[nH+]1 ZINC000512827815 1041051396 /nfs/dbraw/zinc/05/13/96/1041051396.db2.gz LJYVOIUQWXSNDV-YWPBOTNQSA-N 2 1 325.431 3.976 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)[nH+]1 ZINC000512827815 1041051401 /nfs/dbraw/zinc/05/14/01/1041051401.db2.gz LJYVOIUQWXSNDV-YWPBOTNQSA-N 2 1 325.431 3.976 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481675056 1041236161 /nfs/dbraw/zinc/23/61/61/1041236161.db2.gz WRNGZGCNETWBIM-GJZGRUSLSA-N 2 1 328.422 3.958 20 0 EHADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874945 1041261997 /nfs/dbraw/zinc/26/19/97/1041261997.db2.gz QKDRZDJOURCCQQ-NSHDSACASA-N 2 1 325.334 3.640 20 0 EHADMP CCc1nccn1[C@@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576180 1041598252 /nfs/dbraw/zinc/59/82/52/1041598252.db2.gz JHYXFXFFAUCPRF-UKRRQHHQSA-N 2 1 345.443 3.532 20 0 EHADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576180 1041598263 /nfs/dbraw/zinc/59/82/63/1041598263.db2.gz JHYXFXFFAUCPRF-UKRRQHHQSA-N 2 1 345.443 3.532 20 0 EHADMP C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786347 1042032707 /nfs/dbraw/zinc/03/27/07/1042032707.db2.gz SZGMTJWFCQMKPN-XJKSGUPXSA-N 2 1 340.870 3.557 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549544164 1042069134 /nfs/dbraw/zinc/06/91/34/1042069134.db2.gz OKHPCZVFYJIFFQ-SQAAOVBZSA-N 2 1 330.516 3.658 20 0 EHADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000651865023 1042124603 /nfs/dbraw/zinc/12/46/03/1042124603.db2.gz LJRUXYLZUUMKDM-FQEVSTJZSA-N 2 1 345.575 3.650 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Br)CCC2)CCN1C ZINC000652218231 1042273842 /nfs/dbraw/zinc/27/38/42/1042273842.db2.gz CFJQZEWTQIOQHE-KGLIPLIRSA-N 2 1 337.305 3.901 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473148054 1042344645 /nfs/dbraw/zinc/34/46/45/1042344645.db2.gz YVAFNMYOURQDDA-IBGZPJMESA-N 2 1 343.515 3.717 20 0 EHADMP COCCCC[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662253816 1042635510 /nfs/dbraw/zinc/63/55/10/1042635510.db2.gz LJTMVCZNQPQIMX-UHFFFAOYSA-N 2 1 338.495 3.761 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1CCC[NH3+] ZINC000662314621 1042680441 /nfs/dbraw/zinc/68/04/41/1042680441.db2.gz PEBDJGUQQSZCAX-RHSMWYFYSA-N 2 1 337.895 3.508 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000343925897 1042848180 /nfs/dbraw/zinc/84/81/80/1042848180.db2.gz ISENQMNXLDZQAA-IAGOWNOFSA-N 2 1 328.504 3.952 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468752 1042894221 /nfs/dbraw/zinc/89/42/21/1042894221.db2.gz MLRJIXOWCCCWBC-UZKOGDIHSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000663468752 1042894224 /nfs/dbraw/zinc/89/42/24/1042894224.db2.gz MLRJIXOWCCCWBC-UZKOGDIHSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468752 1042894225 /nfs/dbraw/zinc/89/42/25/1042894225.db2.gz MLRJIXOWCCCWBC-UZKOGDIHSA-N 3 1 347.591 3.741 20 0 EHADMP Fc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471169 1042897468 /nfs/dbraw/zinc/89/74/68/1042897468.db2.gz XBDLQWMRXCWUSR-VQIMIIECSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471169 1042897474 /nfs/dbraw/zinc/89/74/74/1042897474.db2.gz XBDLQWMRXCWUSR-VQIMIIECSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471169 1042897478 /nfs/dbraw/zinc/89/74/78/1042897478.db2.gz XBDLQWMRXCWUSR-VQIMIIECSA-N 2 1 332.463 3.751 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663471829 1042902540 /nfs/dbraw/zinc/90/25/40/1042902540.db2.gz YOVHGIDJGJSXCK-SJLPKXTDSA-N 2 1 346.515 3.785 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001167825177 1042951449 /nfs/dbraw/zinc/95/14/49/1042951449.db2.gz GSHRLOPKYSXFGH-CQSZACIVSA-N 2 1 326.431 3.538 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001167827588 1042971968 /nfs/dbraw/zinc/97/19/68/1042971968.db2.gz XOYWHBDPPLQXNF-SFHVURJKSA-N 2 1 333.520 3.573 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001167839635 1043053851 /nfs/dbraw/zinc/05/38/51/1043053851.db2.gz AWNCXBOULBFRHU-GOSISDBHSA-N 2 1 328.504 3.856 20 0 EHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Cl)s1 ZINC000343984142 1043055398 /nfs/dbraw/zinc/05/53/98/1043055398.db2.gz LYSZBIHNLHVADJ-LBPRGKRZSA-N 2 1 339.892 3.588 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412089 1043117722 /nfs/dbraw/zinc/11/77/22/1043117722.db2.gz ACZDCKMCNRRFSX-HNAYVOBHSA-N 2 1 336.907 3.808 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccsc2S1 ZINC000432414498 1043131068 /nfs/dbraw/zinc/13/10/68/1043131068.db2.gz LFYXMBZCSXRCRE-YCPHGPKFSA-N 2 1 340.558 3.764 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccsc2S1 ZINC000432414498 1043131071 /nfs/dbraw/zinc/13/10/71/1043131071.db2.gz LFYXMBZCSXRCRE-YCPHGPKFSA-N 2 1 340.558 3.764 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000324579137 1043322041 /nfs/dbraw/zinc/32/20/41/1043322041.db2.gz WPKJGXWSZWQEMA-OAHLLOKOSA-N 2 1 342.430 3.507 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000663745688 1043941153 /nfs/dbraw/zinc/94/11/53/1043941153.db2.gz FQECTENCVCKWCZ-AWEZNQCLSA-N 2 1 327.394 3.577 20 0 EHADMP COCc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279379508 1044023138 /nfs/dbraw/zinc/02/31/38/1044023138.db2.gz ITZQHADCPUFPRV-UHFFFAOYSA-N 2 1 339.483 3.745 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@@H](C)C1 ZINC000279524184 1044181641 /nfs/dbraw/zinc/18/16/41/1044181641.db2.gz OPOOYRKSWLKIMO-YJBOKZPZSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@@H](C)C1 ZINC000279524184 1044181649 /nfs/dbraw/zinc/18/16/49/1044181649.db2.gz OPOOYRKSWLKIMO-YJBOKZPZSA-N 2 1 343.446 3.833 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344680534 1044282208 /nfs/dbraw/zinc/28/22/08/1044282208.db2.gz NUARUHMJLCBULF-SUMWQHHRSA-N 2 1 346.906 3.715 20 0 EHADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512243284 1044362201 /nfs/dbraw/zinc/36/22/01/1044362201.db2.gz KDXXDTDOAMIAAR-YADHBBJMSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243284 1044362214 /nfs/dbraw/zinc/36/22/14/1044362214.db2.gz KDXXDTDOAMIAAR-YADHBBJMSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269769 1044485910 /nfs/dbraw/zinc/48/59/10/1044485910.db2.gz MUSBVHSLWMEOCK-YADHBBJMSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269769 1044485913 /nfs/dbraw/zinc/48/59/13/1044485913.db2.gz MUSBVHSLWMEOCK-YADHBBJMSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269769 1044485917 /nfs/dbraw/zinc/48/59/17/1044485917.db2.gz MUSBVHSLWMEOCK-YADHBBJMSA-N 2 1 342.527 3.526 20 0 EHADMP CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344883381 1044648301 /nfs/dbraw/zinc/64/83/01/1044648301.db2.gz ILQBAWZXZXNZGE-HXUWFJFHSA-N 2 1 332.451 3.913 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CC(C)C)c2cccs2)CC1 ZINC000154511905 1125724720 /nfs/dbraw/zinc/72/47/20/1125724720.db2.gz YAAHQOGQWQKCTH-SFHVURJKSA-N 2 1 337.577 3.843 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773333 1126860213 /nfs/dbraw/zinc/86/02/13/1126860213.db2.gz UFMVMDVFBBBLAV-DGCLKSJQSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773333 1126860215 /nfs/dbraw/zinc/86/02/15/1126860215.db2.gz UFMVMDVFBBBLAV-DGCLKSJQSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773333 1126860217 /nfs/dbraw/zinc/86/02/17/1126860217.db2.gz UFMVMDVFBBBLAV-DGCLKSJQSA-N 2 1 331.323 3.673 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000623086326 1126874026 /nfs/dbraw/zinc/87/40/26/1126874026.db2.gz KEQWYNWRRASETG-UHFFFAOYSA-N 2 1 333.863 3.727 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)CC1(C)C ZINC000623342811 1126923051 /nfs/dbraw/zinc/92/30/51/1126923051.db2.gz POMJODAJXYGITH-INIZCTEOSA-N 2 1 329.513 3.815 20 0 EHADMP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344493 1126923317 /nfs/dbraw/zinc/92/33/17/1126923317.db2.gz OXDDXWIKXRDAOO-QUCCMNQESA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000623441417 1126955965 /nfs/dbraw/zinc/95/59/65/1126955965.db2.gz SGVAJOCKXFVSRD-QFBILLFUSA-N 2 1 334.467 3.706 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000623441417 1126955967 /nfs/dbraw/zinc/95/59/67/1126955967.db2.gz SGVAJOCKXFVSRD-QFBILLFUSA-N 2 1 334.467 3.706 20 0 EHADMP C[N@H+]1CCCC[C@@H](CNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000623657145 1127005871 /nfs/dbraw/zinc/00/58/71/1127005871.db2.gz KMEHANODGZLRMB-INIZCTEOSA-N 2 1 327.447 3.709 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000623657145 1127005875 /nfs/dbraw/zinc/00/58/75/1127005875.db2.gz KMEHANODGZLRMB-INIZCTEOSA-N 2 1 327.447 3.709 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000623657145 1127005877 /nfs/dbraw/zinc/00/58/77/1127005877.db2.gz KMEHANODGZLRMB-INIZCTEOSA-N 2 1 327.447 3.709 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2Br)CC[N@H+]1C ZINC000181523811 1127281814 /nfs/dbraw/zinc/28/18/14/1127281814.db2.gz FFRFSSLQDIMRFQ-KBPBESRZSA-N 2 1 339.321 3.799 20 0 EHADMP CC(C)(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000181561133 1127283068 /nfs/dbraw/zinc/28/30/68/1127283068.db2.gz UVUPOVXLCUDGLJ-LJQANCHMSA-N 2 1 336.495 3.739 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000765119916 1127575910 /nfs/dbraw/zinc/57/59/10/1127575910.db2.gz UTWKUDKYZCCACK-IRXDYDNUSA-N 2 1 326.488 3.563 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000765505589 1127629099 /nfs/dbraw/zinc/62/90/99/1127629099.db2.gz KACZVAFXNSVZCV-INIZCTEOSA-N 2 1 348.450 3.522 20 0 EHADMP CCOC1CC(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000671683063 1127893471 /nfs/dbraw/zinc/89/34/71/1127893471.db2.gz LGRMRZGASHRIQV-QNGMFEMESA-N 2 1 330.516 3.646 20 0 EHADMP CCOC1CC(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671683063 1127893477 /nfs/dbraw/zinc/89/34/77/1127893477.db2.gz LGRMRZGASHRIQV-QNGMFEMESA-N 2 1 330.516 3.646 20 0 EHADMP CCOC1CC(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671683063 1127893480 /nfs/dbraw/zinc/89/34/80/1127893480.db2.gz LGRMRZGASHRIQV-QNGMFEMESA-N 2 1 330.516 3.646 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168585318 1128125078 /nfs/dbraw/zinc/12/50/78/1128125078.db2.gz HNXLTKMOPPLJNC-AZUAARDMSA-N 2 1 334.504 3.627 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781911 1128366177 /nfs/dbraw/zinc/36/61/77/1128366177.db2.gz CTAHPQISKNYABJ-QZTJIDSGSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781911 1128366181 /nfs/dbraw/zinc/36/61/81/1128366181.db2.gz CTAHPQISKNYABJ-QZTJIDSGSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781911 1128366185 /nfs/dbraw/zinc/36/61/85/1128366185.db2.gz CTAHPQISKNYABJ-QZTJIDSGSA-N 2 1 326.488 3.643 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168617665 1128450238 /nfs/dbraw/zinc/45/02/38/1128450238.db2.gz VMTQAGKEZFWDSE-TYZHSBRISA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168617665 1128450240 /nfs/dbraw/zinc/45/02/40/1128450240.db2.gz VMTQAGKEZFWDSE-TYZHSBRISA-N 2 1 344.499 3.520 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000401030878 1128553553 /nfs/dbraw/zinc/55/35/53/1128553553.db2.gz MHRRGQTXULZOBC-SIKLNZKXSA-N 2 1 337.511 3.741 20 0 EHADMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2cccs2)n1 ZINC000093948052 1120037619 /nfs/dbraw/zinc/03/76/19/1120037619.db2.gz WOUVMEMYHYUOBZ-UHFFFAOYSA-N 2 1 332.517 3.501 20 0 EHADMP C[N@H+](Cc1cc(Br)c(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000226450933 1120158300 /nfs/dbraw/zinc/15/83/00/1120158300.db2.gz LVUREIFRIZEIQQ-SECBINFHSA-N 2 1 337.714 3.738 20 0 EHADMP C[N@@H+](Cc1cc(Br)c(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000226450933 1120158303 /nfs/dbraw/zinc/15/83/03/1120158303.db2.gz LVUREIFRIZEIQQ-SECBINFHSA-N 2 1 337.714 3.738 20 0 EHADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441446469 1120273948 /nfs/dbraw/zinc/27/39/48/1120273948.db2.gz ITDDNINMFPAAEL-FQEVSTJZSA-N 2 1 330.516 3.880 20 0 EHADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c(F)c1 ZINC000186859257 1120477593 /nfs/dbraw/zinc/47/75/93/1120477593.db2.gz LPBWNAFFINVBMJ-IAGOWNOFSA-N 2 1 334.454 3.993 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494499584 1120573505 /nfs/dbraw/zinc/57/35/05/1120573505.db2.gz ZUKBMMDCGCNGKO-OLMNPRSZSA-N 2 1 340.870 3.773 20 0 EHADMP COc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c(OC)c1 ZINC000195632294 1120800679 /nfs/dbraw/zinc/80/06/79/1120800679.db2.gz SEEFRXPYYONZGA-LJQANCHMSA-N 2 1 332.488 3.717 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c(OC)c1 ZINC000195632294 1120800681 /nfs/dbraw/zinc/80/06/81/1120800681.db2.gz SEEFRXPYYONZGA-LJQANCHMSA-N 2 1 332.488 3.717 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2C)C2CCCC2)CC1 ZINC000494929931 1120908734 /nfs/dbraw/zinc/90/87/34/1120908734.db2.gz MEOAJHRJBUQHNM-NRFANRHFSA-N 2 1 330.516 3.927 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168490230 1121298028 /nfs/dbraw/zinc/29/80/28/1121298028.db2.gz YEAUJIWCCKXXSX-HNNXBMFYSA-N 2 1 327.447 3.699 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000236859568 1121465686 /nfs/dbraw/zinc/46/56/86/1121465686.db2.gz SOKPQJGBWKKITB-CQSZACIVSA-N 2 1 326.431 3.683 20 0 EHADMP CN(C)C(=O)c1cccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000922016015 1129028556 /nfs/dbraw/zinc/02/85/56/1129028556.db2.gz VXZIDLITWGCGSM-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000125446975 1122317271 /nfs/dbraw/zinc/31/72/71/1122317271.db2.gz NUPFFPVEEJFGSM-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000125446975 1122317278 /nfs/dbraw/zinc/31/72/78/1122317278.db2.gz NUPFFPVEEJFGSM-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP CC[N@H+]1CC[C@H](CNCc2ccc(Cl)cc2Br)C1 ZINC000126572349 1122413019 /nfs/dbraw/zinc/41/30/19/1122413019.db2.gz DTPDQJHIKYYSEE-LLVKDONJSA-N 2 1 331.685 3.534 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126718427 1122420795 /nfs/dbraw/zinc/42/07/95/1122420795.db2.gz IDFSGVOXLXNCPW-IBGZPJMESA-N 2 1 337.511 3.593 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000126747175 1122422146 /nfs/dbraw/zinc/42/21/46/1122422146.db2.gz KDDYQPMFKYQPEI-LJQANCHMSA-N 2 1 337.511 3.593 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000497824472 1122677208 /nfs/dbraw/zinc/67/72/08/1122677208.db2.gz ZWGACALXWWAHGF-MOPGFXCFSA-N 2 1 340.515 3.915 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000497824475 1122677794 /nfs/dbraw/zinc/67/77/94/1122677794.db2.gz ZWGACALXWWAHGF-RTBURBONSA-N 2 1 340.515 3.915 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000129539872 1122797477 /nfs/dbraw/zinc/79/74/77/1122797477.db2.gz NSOXBGGKEXVOMY-XUWVNRHRSA-N 2 1 336.442 3.587 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000130554376 1122964273 /nfs/dbraw/zinc/96/42/73/1122964273.db2.gz QMCMUQNVCRGJMU-OAHLLOKOSA-N 2 1 339.443 3.633 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000130554376 1122964275 /nfs/dbraw/zinc/96/42/75/1122964275.db2.gz QMCMUQNVCRGJMU-OAHLLOKOSA-N 2 1 339.443 3.633 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000130905201 1123020456 /nfs/dbraw/zinc/02/04/56/1123020456.db2.gz RNWSLPKYYDYAQJ-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556872533 1123161988 /nfs/dbraw/zinc/16/19/88/1123161988.db2.gz PHSRGXJKVFUJTN-BHDDXSALSA-N 3 1 343.559 3.609 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CCSCC2)C3)cc1 ZINC000499235544 1123286703 /nfs/dbraw/zinc/28/67/03/1123286703.db2.gz GOQCBHGYARVBNE-ACDBMABISA-N 2 1 330.541 3.915 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245470889 1123843622 /nfs/dbraw/zinc/84/36/22/1123843622.db2.gz WWPYBXNYYDDKRI-KHYOSLBOSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245470889 1123843626 /nfs/dbraw/zinc/84/36/26/1123843626.db2.gz WWPYBXNYYDDKRI-KHYOSLBOSA-N 2 1 340.458 3.752 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245574391 1123880206 /nfs/dbraw/zinc/88/02/06/1123880206.db2.gz DQHRGUYJEIPCAO-SWLSCSKDSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245574391 1123880210 /nfs/dbraw/zinc/88/02/10/1123880210.db2.gz DQHRGUYJEIPCAO-SWLSCSKDSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245574391 1123880203 /nfs/dbraw/zinc/88/02/03/1123880203.db2.gz DQHRGUYJEIPCAO-SWLSCSKDSA-N 2 1 325.294 3.672 20 0 EHADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245747845 1123943646 /nfs/dbraw/zinc/94/36/46/1123943646.db2.gz SWNSTQRWZQDLLG-WJMWBRGCSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245747845 1123943650 /nfs/dbraw/zinc/94/36/50/1123943650.db2.gz SWNSTQRWZQDLLG-WJMWBRGCSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245747845 1123943655 /nfs/dbraw/zinc/94/36/55/1123943655.db2.gz SWNSTQRWZQDLLG-WJMWBRGCSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246027830 1124002567 /nfs/dbraw/zinc/00/25/67/1124002567.db2.gz XKXYZSIZOPQVTB-XYPHTWIQSA-N 2 1 337.305 3.597 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000246155563 1124033698 /nfs/dbraw/zinc/03/36/98/1124033698.db2.gz TZTKBZOIGBQTAW-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246408471 1124458721 /nfs/dbraw/zinc/45/87/21/1124458721.db2.gz BJZFTADXFGMMSL-MAUKXSAKSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246408471 1124458727 /nfs/dbraw/zinc/45/87/27/1124458727.db2.gz BJZFTADXFGMMSL-MAUKXSAKSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246408471 1124458731 /nfs/dbraw/zinc/45/87/31/1124458731.db2.gz BJZFTADXFGMMSL-MAUKXSAKSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246961190 1124572195 /nfs/dbraw/zinc/57/21/95/1124572195.db2.gz UZCJKLCGTMBWQP-YOEHRIQHSA-N 2 1 336.426 3.737 20 0 EHADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000247063846 1124584793 /nfs/dbraw/zinc/58/47/93/1124584793.db2.gz NYNJGWRQLSMYRK-KGLIPLIRSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000247063846 1124584800 /nfs/dbraw/zinc/58/48/00/1124584800.db2.gz NYNJGWRQLSMYRK-KGLIPLIRSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000247063846 1124584807 /nfs/dbraw/zinc/58/48/07/1124584807.db2.gz NYNJGWRQLSMYRK-KGLIPLIRSA-N 2 1 340.895 3.740 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247932103 1124630789 /nfs/dbraw/zinc/63/07/89/1124630789.db2.gz CCNKGQWSXLIDHX-WMLDXEAASA-N 2 1 342.405 3.500 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247932103 1124630790 /nfs/dbraw/zinc/63/07/90/1124630790.db2.gz CCNKGQWSXLIDHX-WMLDXEAASA-N 2 1 342.405 3.500 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247932103 1124630792 /nfs/dbraw/zinc/63/07/92/1124630792.db2.gz CCNKGQWSXLIDHX-WMLDXEAASA-N 2 1 342.405 3.500 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000248046003 1124637056 /nfs/dbraw/zinc/63/70/56/1124637056.db2.gz VDXRGILABDWVEH-MAUKXSAKSA-N 2 1 329.513 3.673 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248396022 1124655895 /nfs/dbraw/zinc/65/58/95/1124655895.db2.gz GRAURUWPANCTCH-FVTFTPSCSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249173275 1124743959 /nfs/dbraw/zinc/74/39/59/1124743959.db2.gz CSVGBLKVNPYECE-VQIMIIECSA-N 2 1 344.478 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249173275 1124743963 /nfs/dbraw/zinc/74/39/63/1124743963.db2.gz CSVGBLKVNPYECE-VQIMIIECSA-N 2 1 344.478 3.882 20 0 EHADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)c1ccccc1 ZINC000089594351 1124822529 /nfs/dbraw/zinc/82/25/29/1124822529.db2.gz PFVGAYPUMAMGGN-IBGZPJMESA-N 2 1 344.543 3.977 20 0 EHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594653 1124824039 /nfs/dbraw/zinc/82/40/39/1124824039.db2.gz DJRRFKNULCCLJU-SFHVURJKSA-N 2 1 348.506 3.772 20 0 EHADMP CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181541118 1124920295 /nfs/dbraw/zinc/92/02/95/1124920295.db2.gz MJALLSUBVFFBRG-ROUUACIJSA-N 2 1 342.487 3.649 20 0 EHADMP CCC[N@@H+](Cc1ccc(C)c(Br)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236844272 1125046911 /nfs/dbraw/zinc/04/69/11/1125046911.db2.gz RLUUYCJENQGLFM-CYBMUJFWSA-N 2 1 343.284 3.718 20 0 EHADMP CCC[N@H+](Cc1ccc(C)c(Br)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236844272 1125046917 /nfs/dbraw/zinc/04/69/17/1125046917.db2.gz RLUUYCJENQGLFM-CYBMUJFWSA-N 2 1 343.284 3.718 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644938 1125281110 /nfs/dbraw/zinc/28/11/10/1125281110.db2.gz ICWPFWZKYYTJLM-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644938 1125281112 /nfs/dbraw/zinc/28/11/12/1125281112.db2.gz ICWPFWZKYYTJLM-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644938 1125281127 /nfs/dbraw/zinc/28/11/27/1125281127.db2.gz ICWPFWZKYYTJLM-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644938 1125281130 /nfs/dbraw/zinc/28/11/30/1125281130.db2.gz ICWPFWZKYYTJLM-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423392429 1129233447 /nfs/dbraw/zinc/23/34/47/1129233447.db2.gz QDEJUKVLBZWOJF-BFYDXBDKSA-N 2 1 349.272 3.991 20 0 EHADMP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000765977069 1129373234 /nfs/dbraw/zinc/37/32/34/1129373234.db2.gz PTBWBVHHHRANIG-AEFFLSMTSA-N 2 1 332.488 3.526 20 0 EHADMP Cc1c([C@H](C)NCC[C@@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473390 1129510588 /nfs/dbraw/zinc/51/05/88/1129510588.db2.gz GFAITRLENLKYAL-YJBOKZPZSA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473390 1129510591 /nfs/dbraw/zinc/51/05/91/1129510591.db2.gz GFAITRLENLKYAL-YJBOKZPZSA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473390 1129510593 /nfs/dbraw/zinc/51/05/93/1129510593.db2.gz GFAITRLENLKYAL-YJBOKZPZSA-N 2 1 344.478 3.845 20 0 EHADMP CC[N@H+]1CC[C@H](CNCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000124169213 1129585868 /nfs/dbraw/zinc/58/58/68/1129585868.db2.gz XAOJOAURQBPZES-CQSZACIVSA-N 2 1 341.480 3.988 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000124169213 1129585871 /nfs/dbraw/zinc/58/58/71/1129585871.db2.gz XAOJOAURQBPZES-CQSZACIVSA-N 2 1 341.480 3.988 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000124169213 1129585875 /nfs/dbraw/zinc/58/58/75/1129585875.db2.gz XAOJOAURQBPZES-CQSZACIVSA-N 2 1 341.480 3.988 20 0 EHADMP C[C@@H]1CN(Cc2ncc(CN(C)C)s2)CC[C@H]1c1ccccc1 ZINC000347860031 1129937993 /nfs/dbraw/zinc/93/79/93/1129937993.db2.gz RJQYEYYTAPFOGI-CRAIPNDOSA-N 2 1 329.513 3.830 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067343 1129996505 /nfs/dbraw/zinc/99/65/05/1129996505.db2.gz IJAUTCMTIPLAFV-QFBILLFUSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067343 1129996508 /nfs/dbraw/zinc/99/65/08/1129996508.db2.gz IJAUTCMTIPLAFV-QFBILLFUSA-N 2 1 334.467 3.563 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000675685143 1130450884 /nfs/dbraw/zinc/45/08/84/1130450884.db2.gz YTMVCLIHDAYZSB-HXUWFJFHSA-N 2 1 341.499 3.554 20 0 EHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880618 1130499758 /nfs/dbraw/zinc/49/97/58/1130499758.db2.gz GMWBNTCHEMPKDS-SFTDATJTSA-N 2 1 330.516 3.631 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166700315 1130595349 /nfs/dbraw/zinc/59/53/49/1130595349.db2.gz GIRCHNBFHMBRAS-JKSUJKDBSA-N 3 1 326.488 3.562 20 0 EHADMP COCc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000179225373 1131491204 /nfs/dbraw/zinc/49/12/04/1131491204.db2.gz GAMZOVGYAXLKDY-JOCHJYFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000179225373 1131491206 /nfs/dbraw/zinc/49/12/06/1131491206.db2.gz GAMZOVGYAXLKDY-JOCHJYFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000179225373 1131491207 /nfs/dbraw/zinc/49/12/07/1131491207.db2.gz GAMZOVGYAXLKDY-JOCHJYFZSA-N 2 1 338.495 3.787 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886037 1131554307 /nfs/dbraw/zinc/55/43/07/1131554307.db2.gz AXMFOHGFPOVGFZ-XOKHGSTOSA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886037 1131554311 /nfs/dbraw/zinc/55/43/11/1131554311.db2.gz AXMFOHGFPOVGFZ-XOKHGSTOSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886037 1131554314 /nfs/dbraw/zinc/55/43/14/1131554314.db2.gz AXMFOHGFPOVGFZ-XOKHGSTOSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886037 1131554317 /nfs/dbraw/zinc/55/43/17/1131554317.db2.gz AXMFOHGFPOVGFZ-XOKHGSTOSA-N 2 1 344.421 3.543 20 0 EHADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172432474 1131726048 /nfs/dbraw/zinc/72/60/48/1131726048.db2.gz BITHNQYRFMMVAK-GFOJFJKKSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)COCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172477316 1131737157 /nfs/dbraw/zinc/73/71/57/1131737157.db2.gz WRNZQMHMUFPOAA-FPOVZHCZSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172477316 1131737163 /nfs/dbraw/zinc/73/71/63/1131737163.db2.gz WRNZQMHMUFPOAA-FPOVZHCZSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172477316 1131737169 /nfs/dbraw/zinc/73/71/69/1131737169.db2.gz WRNZQMHMUFPOAA-FPOVZHCZSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172749804 1131831083 /nfs/dbraw/zinc/83/10/83/1131831083.db2.gz CYFYOLPKSYHCMH-BHIYHBOVSA-N 2 1 338.536 3.869 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@H](CCN(C)C)c2ccccc2)CC1 ZINC001173101921 1131966950 /nfs/dbraw/zinc/96/69/50/1131966950.db2.gz PJVOUTPXDAWRRM-XVAXZDLZSA-N 2 1 331.548 3.922 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@@H](CC2CCCCC2)C(=O)OC)CC1 ZINC001173104169 1131968086 /nfs/dbraw/zinc/96/80/86/1131968086.db2.gz KYQPVHJDYZOIRJ-ACBHZAAOSA-N 2 1 338.536 3.741 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](CC)Cc2ccc3c(c2)OCO3)CC1 ZINC001173114139 1131971242 /nfs/dbraw/zinc/97/12/42/1131971242.db2.gz XTIXYFKAFLOVPX-UHFFFAOYSA-N 2 1 332.488 3.890 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@@H+]1C ZINC000743810155 1131978803 /nfs/dbraw/zinc/97/88/03/1131978803.db2.gz AOYIMMVUWHWTSZ-GDBMZVCRSA-N 2 1 340.496 3.635 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@H+]1C ZINC000743810155 1131978811 /nfs/dbraw/zinc/97/88/11/1131978811.db2.gz AOYIMMVUWHWTSZ-GDBMZVCRSA-N 2 1 340.496 3.635 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000743841134 1131980846 /nfs/dbraw/zinc/98/08/46/1131980846.db2.gz FXZDNYOFCDYWTA-NRFANRHFSA-N 2 1 332.532 3.781 20 0 EHADMP c1ccc(OC2CCC([NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)CC2)cc1 ZINC001173200554 1131998343 /nfs/dbraw/zinc/99/83/43/1131998343.db2.gz NSSGQKJPGBJFSK-UHFFFAOYSA-N 2 1 340.511 3.794 20 0 EHADMP c1ccc(OC2CCC([NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)CC2)cc1 ZINC001173200554 1131998356 /nfs/dbraw/zinc/99/83/56/1131998356.db2.gz NSSGQKJPGBJFSK-UHFFFAOYSA-N 2 1 340.511 3.794 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001173172515 1132000558 /nfs/dbraw/zinc/00/05/58/1132000558.db2.gz UTYAJWVENUSVLW-YQVWRLOYSA-N 2 1 332.488 3.524 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001173278710 1132039827 /nfs/dbraw/zinc/03/98/27/1132039827.db2.gz ICPPMHUVNNDACQ-UYAOXDASSA-N 2 1 327.516 3.948 20 0 EHADMP CC[N@@H+]1CC[C@@H](N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)C1 ZINC001173352435 1132058571 /nfs/dbraw/zinc/05/85/71/1132058571.db2.gz MACRIZMAKYEHRT-CYBMUJFWSA-N 2 1 326.469 3.639 20 0 EHADMP CC[N@H+]1CC[C@@H](N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)C1 ZINC001173352435 1132058577 /nfs/dbraw/zinc/05/85/77/1132058577.db2.gz MACRIZMAKYEHRT-CYBMUJFWSA-N 2 1 326.469 3.639 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000744404609 1132090394 /nfs/dbraw/zinc/09/03/94/1132090394.db2.gz ULUZWHWQMYULSE-CTNGQTDRSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000744404609 1132090403 /nfs/dbraw/zinc/09/04/03/1132090403.db2.gz ULUZWHWQMYULSE-CTNGQTDRSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404609 1132090411 /nfs/dbraw/zinc/09/04/11/1132090411.db2.gz ULUZWHWQMYULSE-CTNGQTDRSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404609 1132090417 /nfs/dbraw/zinc/09/04/17/1132090417.db2.gz ULUZWHWQMYULSE-CTNGQTDRSA-N 2 1 332.532 3.914 20 0 EHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173609582 1132106173 /nfs/dbraw/zinc/10/61/73/1132106173.db2.gz XYCJVNFVSHTKNO-UQEWEPMASA-N 2 1 348.531 3.623 20 0 EHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173714509 1132133354 /nfs/dbraw/zinc/13/33/54/1132133354.db2.gz NCASHWBQBUUYIU-XFQXTVEOSA-N 2 1 344.499 3.529 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([N@H+](CCC[NH3+])C(C)C)CC2)cc1 ZINC001173782245 1132146581 /nfs/dbraw/zinc/14/65/81/1132146581.db2.gz ZJZNVDHKLNJCEX-UHFFFAOYSA-N 2 1 332.488 3.697 20 0 EHADMP C[C@@H](CC[NH2+][C@H]1CCOC2(CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379641011 1132183092 /nfs/dbraw/zinc/18/30/92/1132183092.db2.gz XLMWHMUVWIADFU-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1OCc1ccccc1 ZINC000182255352 1132222443 /nfs/dbraw/zinc/22/24/43/1132222443.db2.gz FLBYQEHFBKDVBN-UAFMIMERSA-N 2 1 328.500 3.587 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCCN2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001175351300 1132645251 /nfs/dbraw/zinc/64/52/51/1132645251.db2.gz KODXNQOUYLPPJU-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001169069724 1132650433 /nfs/dbraw/zinc/65/04/33/1132650433.db2.gz HRXINGJSYUCSAL-IBGZPJMESA-N 2 1 343.515 3.774 20 0 EHADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169119026 1132663150 /nfs/dbraw/zinc/66/31/50/1132663150.db2.gz OXKKCBZKYXLSLB-YPHBOWRQSA-N 2 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169119026 1132663155 /nfs/dbraw/zinc/66/31/55/1132663155.db2.gz OXKKCBZKYXLSLB-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169119026 1132663158 /nfs/dbraw/zinc/66/31/58/1132663158.db2.gz OXKKCBZKYXLSLB-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169119026 1132663163 /nfs/dbraw/zinc/66/31/63/1132663163.db2.gz OXKKCBZKYXLSLB-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169119026 1132663167 /nfs/dbraw/zinc/66/31/67/1132663167.db2.gz OXKKCBZKYXLSLB-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(C[C@H](c4ccccc4)CO3)C1)C2 ZINC001169134140 1132666592 /nfs/dbraw/zinc/66/65/92/1132666592.db2.gz QHCIKXBPFKJHGS-ITBHCLRTSA-N 2 1 340.511 3.650 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccc1F)C2 ZINC001169108192 1132669554 /nfs/dbraw/zinc/66/95/54/1132669554.db2.gz PEHGEZAZBALZBZ-QKDCVEJESA-N 2 1 330.369 3.602 20 0 EHADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108578 1132669963 /nfs/dbraw/zinc/66/99/63/1132669963.db2.gz BVRVAPDNSZDNEH-DMRZNYOFSA-N 2 1 337.305 3.595 20 0 EHADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206002880 1132678848 /nfs/dbraw/zinc/67/88/48/1132678848.db2.gz CFTLDINRKCEEFQ-VXGBXAGGSA-N 2 1 331.287 3.809 20 0 EHADMP [NH3+]CCc1cn(-c2cc[nH+]c(C3(C(F)(F)F)CC3)c2)c2cccnc12 ZINC001169710521 1132831558 /nfs/dbraw/zinc/83/15/58/1132831558.db2.gz KMRQQIVWWXORTL-UHFFFAOYSA-N 2 1 346.356 3.516 20 0 EHADMP c1ccc(C[NH+]2CCC[N@@H+](CC3CCCCC3)CCOCC2)cc1 ZINC001176495045 1132948643 /nfs/dbraw/zinc/94/86/43/1132948643.db2.gz FNDCEEWUBOFPPC-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP c1ccc(C[NH+]2CCC[N@H+](CC3CCCCC3)CCOCC2)cc1 ZINC001176495045 1132948649 /nfs/dbraw/zinc/94/86/49/1132948649.db2.gz FNDCEEWUBOFPPC-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP c1ccc(C[N@H+]2CCC[NH+](CC3CCCCC3)CCOCC2)cc1 ZINC001176495045 1132948653 /nfs/dbraw/zinc/94/86/53/1132948653.db2.gz FNDCEEWUBOFPPC-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP c1ccc(C[N@@H+]2CCC[NH+](CC3CCCCC3)CCOCC2)cc1 ZINC001176495045 1132948656 /nfs/dbraw/zinc/94/86/56/1132948656.db2.gz FNDCEEWUBOFPPC-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CC1 ZINC001206327929 1133167608 /nfs/dbraw/zinc/16/76/08/1133167608.db2.gz ZYICFQXBVYIBMG-CQSZACIVSA-N 2 1 335.801 3.705 20 0 EHADMP COc1c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001206336016 1133180346 /nfs/dbraw/zinc/18/03/46/1133180346.db2.gz JLGPLQVEBNVRCB-MRXNPFEDSA-N 2 1 331.287 3.953 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000769404900 1133278809 /nfs/dbraw/zinc/27/88/09/1133278809.db2.gz SIRAWVRWYXKOML-GOSISDBHSA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000769404900 1133278813 /nfs/dbraw/zinc/27/88/13/1133278813.db2.gz SIRAWVRWYXKOML-GOSISDBHSA-N 2 1 342.458 3.788 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000769483175 1133288031 /nfs/dbraw/zinc/28/80/31/1133288031.db2.gz GUPUBRGFAZLLHD-MLGOLLRUSA-N 2 1 346.544 3.779 20 0 EHADMP C[C@H](C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769682542 1133324368 /nfs/dbraw/zinc/32/43/68/1133324368.db2.gz SZJTXOWUOBUMRP-HZPDHXFCSA-N 2 1 341.540 3.532 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(CC3CCC3)c2)CC1 ZINC001180125168 1133334733 /nfs/dbraw/zinc/33/47/33/1133334733.db2.gz UQIGKPMKZZMCLN-UHFFFAOYSA-N 2 1 332.536 3.627 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769969036 1133367422 /nfs/dbraw/zinc/36/74/22/1133367422.db2.gz OMGMSCXEBMBMFR-PZJWPPBQSA-N 2 1 342.527 3.914 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769968395 1133367466 /nfs/dbraw/zinc/36/74/66/1133367466.db2.gz OMGMSCXEBMBMFR-CTNGQTDRSA-N 2 1 342.527 3.914 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1)CC1CC1 ZINC000770592575 1133448540 /nfs/dbraw/zinc/44/85/40/1133448540.db2.gz VNVCCTYMFJTPPG-UHFFFAOYSA-N 2 1 331.504 3.886 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1)CC1CC1 ZINC000770592575 1133448545 /nfs/dbraw/zinc/44/85/45/1133448545.db2.gz VNVCCTYMFJTPPG-UHFFFAOYSA-N 2 1 331.504 3.886 20 0 EHADMP C[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001181505423 1133494822 /nfs/dbraw/zinc/49/48/22/1133494822.db2.gz GRIARWNCUKFVIJ-CBQOVEMMSA-N 2 1 344.543 3.628 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183788273 1133858337 /nfs/dbraw/zinc/85/83/37/1133858337.db2.gz KXEMPYGQCQGCNP-IHPCNDPISA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]1COCC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001183930997 1133873839 /nfs/dbraw/zinc/87/38/39/1133873839.db2.gz YUWLRVIGDGOXKF-DENIHFKCSA-N 2 1 344.543 3.893 20 0 EHADMP C[N@H+]1C[C@@H]2CN(Cc3cc4cc(Br)ccc4o3)C[C@]2(C)C1 ZINC001184064175 1133889023 /nfs/dbraw/zinc/88/90/23/1133889023.db2.gz BTRUVTVMRXYSGG-DYVFJYSZSA-N 2 1 349.272 3.579 20 0 EHADMP CN1C[C@@H]2C[N@H+](Cc3cc4cc(Br)ccc4o3)C[C@]2(C)C1 ZINC001184064175 1133889027 /nfs/dbraw/zinc/88/90/27/1133889027.db2.gz BTRUVTVMRXYSGG-DYVFJYSZSA-N 2 1 349.272 3.579 20 0 EHADMP CN1C[C@@H]2C[N@@H+](Cc3cc4cc(Br)ccc4o3)C[C@]2(C)C1 ZINC001184064175 1133889034 /nfs/dbraw/zinc/88/90/34/1133889034.db2.gz BTRUVTVMRXYSGG-DYVFJYSZSA-N 2 1 349.272 3.579 20 0 EHADMP Cc1nc(F)ccc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000787146911 1133960399 /nfs/dbraw/zinc/96/03/99/1133960399.db2.gz OAUSRTHDSLXLKY-UHFFFAOYSA-N 2 1 341.474 3.873 20 0 EHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccoc3)cc2)C[C@H]1C ZINC000774822981 1134032984 /nfs/dbraw/zinc/03/29/84/1134032984.db2.gz DEYNMSJCEAEZJB-HDICACEKSA-N 2 1 342.483 3.579 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788244593 1134099133 /nfs/dbraw/zinc/09/91/33/1134099133.db2.gz NTKYXVSBJSOVJC-IRXDYDNUSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001170141668 1134447698 /nfs/dbraw/zinc/44/76/98/1134447698.db2.gz ZFBSTLGDZALHST-SJORKVTESA-N 2 1 334.529 3.604 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775375073 1134687811 /nfs/dbraw/zinc/68/78/11/1134687811.db2.gz IODQMUCZKSKCFS-CWQOZTLDSA-N 2 1 342.618 3.714 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238992 1134719160 /nfs/dbraw/zinc/71/91/60/1134719160.db2.gz LQVODKDUYAJOGC-VSKRKVRLSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238992 1134719164 /nfs/dbraw/zinc/71/91/64/1134719164.db2.gz LQVODKDUYAJOGC-VSKRKVRLSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238992 1134719169 /nfs/dbraw/zinc/71/91/69/1134719169.db2.gz LQVODKDUYAJOGC-VSKRKVRLSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001170225397 1134723227 /nfs/dbraw/zinc/72/32/27/1134723227.db2.gz XKTYMZXLWFIPQE-RTBURBONSA-N 2 1 332.488 3.525 20 0 EHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226922 1134723418 /nfs/dbraw/zinc/72/34/18/1134723418.db2.gz LXRPFSGBTQOXCP-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226922 1134723421 /nfs/dbraw/zinc/72/34/21/1134723421.db2.gz LXRPFSGBTQOXCP-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226922 1134723426 /nfs/dbraw/zinc/72/34/26/1134723426.db2.gz LXRPFSGBTQOXCP-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205627070 1135121144 /nfs/dbraw/zinc/12/11/44/1135121144.db2.gz MJGXKPCPWJKFED-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205627070 1135121148 /nfs/dbraw/zinc/12/11/48/1135121148.db2.gz MJGXKPCPWJKFED-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC(C)(C)C1 ZINC001194042037 1135219916 /nfs/dbraw/zinc/21/99/16/1135219916.db2.gz JIBNFCANDRLTPH-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP OC[C@H]1CCCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001195659810 1135453173 /nfs/dbraw/zinc/45/31/73/1135453173.db2.gz RTFBWTVDEFUFCF-JOCHJYFZSA-N 2 1 344.543 3.568 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000102423220 1135552304 /nfs/dbraw/zinc/55/23/04/1135552304.db2.gz NISQULVSGIWBFB-LBPRGKRZSA-N 2 1 341.282 3.701 20 0 EHADMP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H]1CCc2ccccc2C1 ZINC000809552716 1135855951 /nfs/dbraw/zinc/85/59/51/1135855951.db2.gz YCQUOJZNCWRTRV-SFHVURJKSA-N 2 1 343.540 3.974 20 0 EHADMP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H]1CCc2ccccc2C1 ZINC000809552716 1135855955 /nfs/dbraw/zinc/85/59/55/1135855955.db2.gz YCQUOJZNCWRTRV-SFHVURJKSA-N 2 1 343.540 3.974 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OC ZINC001199037634 1135875041 /nfs/dbraw/zinc/87/50/41/1135875041.db2.gz AVPQWLOGBSTICY-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP Cc1c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)sc2nc(C)nc(C)c12 ZINC000809767867 1135880436 /nfs/dbraw/zinc/88/04/36/1135880436.db2.gz WITBURGPHSBXNJ-CVEARBPZSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)sc2nc(C)nc(C)c12 ZINC000809767867 1135880438 /nfs/dbraw/zinc/88/04/38/1135880438.db2.gz WITBURGPHSBXNJ-CVEARBPZSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)sc2nc(C)nc(C)c12 ZINC000809767867 1135880441 /nfs/dbraw/zinc/88/04/41/1135880441.db2.gz WITBURGPHSBXNJ-CVEARBPZSA-N 2 1 344.528 3.533 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)cc1 ZINC000809738985 1135883387 /nfs/dbraw/zinc/88/33/87/1135883387.db2.gz RZYVHYHFVFANOX-UHFFFAOYSA-N 2 1 334.467 3.566 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CCCOC2)C1 ZINC001199310515 1135895547 /nfs/dbraw/zinc/89/55/47/1135895547.db2.gz XJBWZIPABZTSDD-CEXWTWQISA-N 2 1 330.516 3.681 20 0 EHADMP CCCCn1nc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1Cl ZINC000105443282 1135947919 /nfs/dbraw/zinc/94/79/19/1135947919.db2.gz NJYQROLDFGQSMF-CYBMUJFWSA-N 2 1 337.899 3.576 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC001200972075 1135969775 /nfs/dbraw/zinc/96/97/75/1135969775.db2.gz UHNUQLHQUROXFB-UHFFFAOYSA-N 2 1 344.421 3.684 20 0 EHADMP C[NH+](C)CC1CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201457146 1136022169 /nfs/dbraw/zinc/02/21/69/1136022169.db2.gz ZNRPMSXOROYDDY-ATVHPVEESA-N 2 1 337.305 3.696 20 0 EHADMP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510105 1136030566 /nfs/dbraw/zinc/03/05/66/1136030566.db2.gz XPTWOVWISNYDAS-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@@H](C)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510105 1136030570 /nfs/dbraw/zinc/03/05/70/1136030570.db2.gz XPTWOVWISNYDAS-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510105 1136030573 /nfs/dbraw/zinc/03/05/73/1136030573.db2.gz XPTWOVWISNYDAS-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510105 1136030577 /nfs/dbraw/zinc/03/05/77/1136030577.db2.gz XPTWOVWISNYDAS-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001201509941 1136030879 /nfs/dbraw/zinc/03/08/79/1136030879.db2.gz WTKBSHTXTNIPTM-GOSISDBHSA-N 2 1 330.516 3.708 20 0 EHADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201541160 1136034034 /nfs/dbraw/zinc/03/40/34/1136034034.db2.gz DBNGFJKUZVPBMB-NYVOZVTQSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201541160 1136034037 /nfs/dbraw/zinc/03/40/37/1136034037.db2.gz DBNGFJKUZVPBMB-NYVOZVTQSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201541160 1136034040 /nfs/dbraw/zinc/03/40/40/1136034040.db2.gz DBNGFJKUZVPBMB-NYVOZVTQSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC001201558152 1136040098 /nfs/dbraw/zinc/04/00/98/1136040098.db2.gz PDUHCWLGIVFWBJ-MRXNPFEDSA-N 2 1 329.463 3.832 20 0 EHADMP C[C@]1(C[NH2+]Cc2ccc3nccnc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001202219091 1136112251 /nfs/dbraw/zinc/11/22/51/1136112251.db2.gz DMIHNWTYLNCJNI-JOCHJYFZSA-N 2 1 346.478 3.632 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC(C)(C)C[NH+]1CCCC1 ZINC001202234815 1136118201 /nfs/dbraw/zinc/11/82/01/1136118201.db2.gz WPIOIWVTEBCMPB-UHFFFAOYSA-N 2 1 345.575 3.856 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202234815 1136118203 /nfs/dbraw/zinc/11/82/03/1136118203.db2.gz WPIOIWVTEBCMPB-UHFFFAOYSA-N 3 1 345.575 3.856 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202234815 1136118204 /nfs/dbraw/zinc/11/82/04/1136118204.db2.gz WPIOIWVTEBCMPB-UHFFFAOYSA-N 3 1 345.575 3.856 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3SCCS3)CC23CC3)cc1 ZINC000850402454 1136249890 /nfs/dbraw/zinc/24/98/90/1136249890.db2.gz LBEUZQQYMAHOCP-MRXNPFEDSA-N 2 1 334.554 3.579 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3SCCS3)CC23CC3)cc1 ZINC000850402454 1136249893 /nfs/dbraw/zinc/24/98/93/1136249893.db2.gz LBEUZQQYMAHOCP-MRXNPFEDSA-N 2 1 334.554 3.579 20 0 EHADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001170688092 1136258043 /nfs/dbraw/zinc/25/80/43/1136258043.db2.gz RZNBANSWHLAAOL-QFBILLFUSA-N 2 1 346.478 3.978 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170699441 1136307241 /nfs/dbraw/zinc/30/72/41/1136307241.db2.gz HRZPOANVGKKTRW-GOSISDBHSA-N 2 1 336.470 3.874 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000813881661 1136371908 /nfs/dbraw/zinc/37/19/08/1136371908.db2.gz RLMJONJRCPVOHM-XCDJFROHSA-N 2 1 328.500 3.729 20 0 EHADMP Clc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000852754051 1136483437 /nfs/dbraw/zinc/48/34/37/1136483437.db2.gz NLYXYICRSFFRFA-CQSZACIVSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc(Cl)n1 ZINC000852754128 1136483606 /nfs/dbraw/zinc/48/36/06/1136483606.db2.gz QFJZQRKXDYKBIQ-AWEZNQCLSA-N 2 1 328.287 3.600 20 0 EHADMP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000815052209 1136540384 /nfs/dbraw/zinc/54/03/84/1136540384.db2.gz HNBDLMZVZQTJCV-UGKGYDQZSA-N 2 1 338.495 3.824 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1SC(C)(C)C ZINC000815563558 1136611338 /nfs/dbraw/zinc/61/13/38/1136611338.db2.gz GZIJYXMRELULGZ-HOTGVXAUSA-N 2 1 336.545 3.685 20 0 EHADMP CC/C=C\CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604830 1136797966 /nfs/dbraw/zinc/79/79/66/1136797966.db2.gz RWLXHAMWUPUEIN-PXDRNWIDSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C\CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604830 1136797970 /nfs/dbraw/zinc/79/79/70/1136797970.db2.gz RWLXHAMWUPUEIN-PXDRNWIDSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C\CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604830 1136797973 /nfs/dbraw/zinc/79/79/73/1136797973.db2.gz RWLXHAMWUPUEIN-PXDRNWIDSA-N 2 1 331.504 3.731 20 0 EHADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817892342 1136843366 /nfs/dbraw/zinc/84/33/66/1136843366.db2.gz SVHKRRLAORRVQK-VNQPRFMTSA-N 2 1 341.268 3.599 20 0 EHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015224 1136931911 /nfs/dbraw/zinc/93/19/11/1136931911.db2.gz SZHDFZPLRNJYLC-UXHICEINSA-N 2 1 343.515 3.677 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015224 1136931914 /nfs/dbraw/zinc/93/19/14/1136931914.db2.gz SZHDFZPLRNJYLC-UXHICEINSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015224 1136931919 /nfs/dbraw/zinc/93/19/19/1136931919.db2.gz SZHDFZPLRNJYLC-UXHICEINSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015224 1136931921 /nfs/dbraw/zinc/93/19/21/1136931921.db2.gz SZHDFZPLRNJYLC-UXHICEINSA-N 2 1 343.515 3.677 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnc(F)c2)cc1 ZINC000858098314 1136939613 /nfs/dbraw/zinc/93/96/13/1136939613.db2.gz KREAFKIOBOYRBN-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C1 ZINC000858097453 1136939683 /nfs/dbraw/zinc/93/96/83/1136939683.db2.gz MYPGXDOINLSMIR-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858166791 1136946171 /nfs/dbraw/zinc/94/61/71/1136946171.db2.gz ALNFWFODNXQRTJ-HZPDHXFCSA-N 2 1 341.540 3.532 20 0 EHADMP CN(c1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1)C1CC[NH+](C)CC1 ZINC000858388089 1136963712 /nfs/dbraw/zinc/96/37/12/1136963712.db2.gz SDYKQVKHGNPYJP-GOSISDBHSA-N 2 1 344.547 3.502 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171009045 1137089521 /nfs/dbraw/zinc/08/95/21/1137089521.db2.gz IRVJICBIKIKRNO-GOSISDBHSA-N 2 1 339.458 3.645 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000823825095 1137114511 /nfs/dbraw/zinc/11/45/11/1137114511.db2.gz HERSTJKKZVQTGF-SLFFLAALSA-N 2 1 346.902 3.729 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000823825095 1137114512 /nfs/dbraw/zinc/11/45/12/1137114512.db2.gz HERSTJKKZVQTGF-SLFFLAALSA-N 2 1 346.902 3.729 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc(C2CC2)o1 ZINC000862324566 1137138443 /nfs/dbraw/zinc/13/84/43/1137138443.db2.gz PBBURJXAVCIUST-UHFFFAOYSA-N 2 1 340.471 3.686 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccsc3Br)C2)CC1 ZINC000862353022 1137139581 /nfs/dbraw/zinc/13/95/81/1137139581.db2.gz QPTKMQQXMZRHKJ-UHFFFAOYSA-N 2 1 343.334 3.818 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001143627126 1137183996 /nfs/dbraw/zinc/18/39/96/1137183996.db2.gz CIHIVILSNCDIPF-UHFFFAOYSA-N 2 1 328.834 3.926 20 0 EHADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC(F)(F)F ZINC001143873092 1137207426 /nfs/dbraw/zinc/20/74/26/1137207426.db2.gz KUILPPCCFQLARQ-UHFFFAOYSA-N 2 1 346.393 3.512 20 0 EHADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC(F)(F)F ZINC001143873092 1137207427 /nfs/dbraw/zinc/20/74/27/1137207427.db2.gz KUILPPCCFQLARQ-UHFFFAOYSA-N 2 1 346.393 3.512 20 0 EHADMP FC1(F)C[C@]12CCC[NH+](CCC[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442467 1137224172 /nfs/dbraw/zinc/22/41/72/1137224172.db2.gz YOCYQTFIAQJFON-GJZGRUSLSA-N 2 1 334.401 3.619 20 0 EHADMP CCc1noc(C)c1[C@@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794826997 1137267722 /nfs/dbraw/zinc/26/77/22/1137267722.db2.gz GQFXOLABSPRDEB-CRAIPNDOSA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794826997 1137267724 /nfs/dbraw/zinc/26/77/24/1137267724.db2.gz GQFXOLABSPRDEB-CRAIPNDOSA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794826997 1137267726 /nfs/dbraw/zinc/26/77/26/1137267726.db2.gz GQFXOLABSPRDEB-CRAIPNDOSA-N 2 1 327.472 3.718 20 0 EHADMP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171173536 1137282499 /nfs/dbraw/zinc/28/24/99/1137282499.db2.gz ZPMNZYWGSVHXRU-CQSZACIVSA-N 2 1 336.266 3.606 20 0 EHADMP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171173536 1137282501 /nfs/dbraw/zinc/28/25/01/1137282501.db2.gz ZPMNZYWGSVHXRU-CQSZACIVSA-N 2 1 336.266 3.606 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000865435256 1137283236 /nfs/dbraw/zinc/28/32/36/1137283236.db2.gz FKNBUPUUQPVTJI-INIZCTEOSA-N 2 1 347.865 3.876 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000865435256 1137283237 /nfs/dbraw/zinc/28/32/37/1137283237.db2.gz FKNBUPUUQPVTJI-INIZCTEOSA-N 2 1 347.865 3.876 20 0 EHADMP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865831146 1137314806 /nfs/dbraw/zinc/31/48/06/1137314806.db2.gz SYVDPCDFKMSISG-OKYOBFRVSA-N 2 1 334.891 3.777 20 0 EHADMP O[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878063 1137318565 /nfs/dbraw/zinc/31/85/65/1137318565.db2.gz YKELYLFCWQFDHE-RTWAWAEBSA-N 2 1 342.527 3.714 20 0 EHADMP O[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878063 1137318566 /nfs/dbraw/zinc/31/85/66/1137318566.db2.gz YKELYLFCWQFDHE-RTWAWAEBSA-N 2 1 342.527 3.714 20 0 EHADMP Fc1cc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000866472529 1137357635 /nfs/dbraw/zinc/35/76/35/1137357635.db2.gz ATKIAFBZUIUTOC-LDLYASANSA-N 2 1 325.431 3.506 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000866472529 1137357637 /nfs/dbraw/zinc/35/76/37/1137357637.db2.gz ATKIAFBZUIUTOC-LDLYASANSA-N 2 1 325.431 3.506 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000866472529 1137357639 /nfs/dbraw/zinc/35/76/39/1137357639.db2.gz ATKIAFBZUIUTOC-LDLYASANSA-N 2 1 325.431 3.506 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866538061 1137362868 /nfs/dbraw/zinc/36/28/68/1137362868.db2.gz NGQFBUPFJQYFRY-GFRNBQLOSA-N 2 1 342.527 3.549 20 0 EHADMP O[C@@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000866637314 1137371742 /nfs/dbraw/zinc/37/17/42/1137371742.db2.gz GATZFHUJMBOELB-KJJMTIBFSA-N 2 1 342.527 3.713 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001247015261 1137417580 /nfs/dbraw/zinc/41/75/80/1137417580.db2.gz HDIOGAZHIUWLJL-SWLSCSKDSA-N 2 1 325.294 3.973 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000773106748 1137465685 /nfs/dbraw/zinc/46/56/85/1137465685.db2.gz YSRNDDCHSGFKLX-QCFAMHMHSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1csc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716703008 1137488475 /nfs/dbraw/zinc/48/84/75/1137488475.db2.gz WCRBUWJERMNQAI-OTWHNJEPSA-N 2 1 341.524 3.637 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505295 1137494652 /nfs/dbraw/zinc/49/46/52/1137494652.db2.gz HVTBKFLLABXLTM-UKRRQHHQSA-N 2 1 340.433 3.815 20 0 EHADMP Cc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171551214 1137497368 /nfs/dbraw/zinc/49/73/68/1137497368.db2.gz OHYVTZYJOBEJAK-IFMALSPDSA-N 2 1 334.507 3.964 20 0 EHADMP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171556203 1137497735 /nfs/dbraw/zinc/49/77/35/1137497735.db2.gz HYDDOVYANCOOSR-KZKAQZJJSA-N 2 1 332.491 3.572 20 0 EHADMP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171556203 1137497737 /nfs/dbraw/zinc/49/77/37/1137497737.db2.gz HYDDOVYANCOOSR-KZKAQZJJSA-N 2 1 332.491 3.572 20 0 EHADMP Cc1cc2c(cc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)OCCO2 ZINC001171613984 1137500652 /nfs/dbraw/zinc/50/06/52/1137500652.db2.gz SMSKKESJWQAYDV-UHFFFAOYSA-N 2 1 332.488 3.507 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC001171617336 1137500923 /nfs/dbraw/zinc/50/09/23/1137500923.db2.gz KAYIGTBGQYUJON-UHFFFAOYSA-N 2 1 343.559 3.892 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642718 1137505196 /nfs/dbraw/zinc/50/51/96/1137505196.db2.gz LWOPWAPMGMNZHM-ZWKOTPCHSA-N 3 1 335.580 3.977 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642718 1137505198 /nfs/dbraw/zinc/50/51/98/1137505198.db2.gz LWOPWAPMGMNZHM-ZWKOTPCHSA-N 3 1 335.580 3.977 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642718 1137505199 /nfs/dbraw/zinc/50/51/99/1137505199.db2.gz LWOPWAPMGMNZHM-ZWKOTPCHSA-N 3 1 335.580 3.977 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732487 1137507009 /nfs/dbraw/zinc/50/70/09/1137507009.db2.gz BBCONVFNFHQVSF-PGRDOPGGSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CN1Cc1ccccc1 ZINC001171732487 1137507010 /nfs/dbraw/zinc/50/70/10/1137507010.db2.gz BBCONVFNFHQVSF-PGRDOPGGSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccc(Cl)cc2)C[N@H+]1Cc1ccccc1 ZINC001171738757 1137510914 /nfs/dbraw/zinc/51/09/14/1137510914.db2.gz NFIGEQNBYCJYAT-RDTXWAMCSA-N 2 1 342.874 3.703 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742724 1137511476 /nfs/dbraw/zinc/51/14/76/1137511476.db2.gz YYJXQWFXFZOSQP-UDDWMFPDSA-N 2 1 341.543 3.774 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001171967647 1137520772 /nfs/dbraw/zinc/52/07/72/1137520772.db2.gz PADYUHRDIDYGMS-IMJJTQAJSA-N 2 1 326.406 3.520 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001171967647 1137520773 /nfs/dbraw/zinc/52/07/73/1137520773.db2.gz PADYUHRDIDYGMS-IMJJTQAJSA-N 2 1 326.406 3.520 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001171967647 1137520775 /nfs/dbraw/zinc/52/07/75/1137520775.db2.gz PADYUHRDIDYGMS-IMJJTQAJSA-N 2 1 326.406 3.520 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)CC[N@@H+]1Cc1ccccc1 ZINC001171988869 1137522583 /nfs/dbraw/zinc/52/25/83/1137522583.db2.gz WVCSTRRCOGTUPW-ROUUACIJSA-N 2 1 348.531 3.959 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)CC[N@H+]1Cc1ccccc1 ZINC001171988869 1137522585 /nfs/dbraw/zinc/52/25/85/1137522585.db2.gz WVCSTRRCOGTUPW-ROUUACIJSA-N 2 1 348.531 3.959 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171970584 1137523647 /nfs/dbraw/zinc/52/36/47/1137523647.db2.gz DFVFQRDYEVBWCK-VAMGGRTRSA-N 2 1 330.516 3.570 20 0 EHADMP CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976747 1137525464 /nfs/dbraw/zinc/52/54/64/1137525464.db2.gz NFTJMUSECUBWQG-SLFFLAALSA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979910 1137525919 /nfs/dbraw/zinc/52/59/19/1137525919.db2.gz RHCQQDXVYSVSNK-SFHLNBCPSA-N 2 1 330.516 3.713 20 0 EHADMP CC[NH+](CC)CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076597 1137530637 /nfs/dbraw/zinc/53/06/37/1137530637.db2.gz GENQHRXSWDZQKD-ZBYYUNFXSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081022 1137531116 /nfs/dbraw/zinc/53/11/16/1137531116.db2.gz ZFLLBJZZNJRJCR-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC001172101658 1137532134 /nfs/dbraw/zinc/53/21/34/1137532134.db2.gz HFGROSDUFCQHME-PHZGNYQRSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172065452 1137533359 /nfs/dbraw/zinc/53/33/59/1137533359.db2.gz MALLVYIIIYQHJI-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065452 1137533360 /nfs/dbraw/zinc/53/33/60/1137533360.db2.gz MALLVYIIIYQHJI-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065452 1137533362 /nfs/dbraw/zinc/53/33/62/1137533362.db2.gz MALLVYIIIYQHJI-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@@]24CCCOC4)C3)cc1 ZINC001172067524 1137533409 /nfs/dbraw/zinc/53/34/09/1137533409.db2.gz GDXPGGYTACUJEW-PVIWCNJMSA-N 2 1 340.511 3.731 20 0 EHADMP C[N@H+]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172066150 1137533461 /nfs/dbraw/zinc/53/34/61/1137533461.db2.gz UFHQZIIMAPVANS-YSFYHYPLSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066150 1137533463 /nfs/dbraw/zinc/53/34/63/1137533463.db2.gz UFHQZIIMAPVANS-YSFYHYPLSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066150 1137533464 /nfs/dbraw/zinc/53/34/64/1137533464.db2.gz UFHQZIIMAPVANS-YSFYHYPLSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(O)C(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067469 1137533768 /nfs/dbraw/zinc/53/37/68/1137533768.db2.gz FMKZUNDVTAXZSE-LDLYASANSA-N 2 1 330.516 3.711 20 0 EHADMP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069202 1137534027 /nfs/dbraw/zinc/53/40/27/1137534027.db2.gz NVMMYWNSECJDAE-UZBCKPFNSA-N 2 1 342.527 3.807 20 0 EHADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069202 1137534028 /nfs/dbraw/zinc/53/40/28/1137534028.db2.gz NVMMYWNSECJDAE-UZBCKPFNSA-N 2 1 342.527 3.807 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069202 1137534029 /nfs/dbraw/zinc/53/40/29/1137534029.db2.gz NVMMYWNSECJDAE-UZBCKPFNSA-N 2 1 342.527 3.807 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069202 1137534030 /nfs/dbraw/zinc/53/40/30/1137534030.db2.gz NVMMYWNSECJDAE-UZBCKPFNSA-N 2 1 342.527 3.807 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129080 1137535389 /nfs/dbraw/zinc/53/53/89/1137535389.db2.gz VYVJGOPZCQQGMI-YRPNKDGESA-N 2 1 348.918 3.903 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129080 1137535390 /nfs/dbraw/zinc/53/53/90/1137535390.db2.gz VYVJGOPZCQQGMI-YRPNKDGESA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129080 1137535392 /nfs/dbraw/zinc/53/53/92/1137535392.db2.gz VYVJGOPZCQQGMI-YRPNKDGESA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129080 1137535394 /nfs/dbraw/zinc/53/53/94/1137535394.db2.gz VYVJGOPZCQQGMI-YRPNKDGESA-N 2 1 348.918 3.903 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106494 1137537088 /nfs/dbraw/zinc/53/70/88/1137537088.db2.gz POKOHPIJGZBVLL-NXWNEQKCSA-N 2 1 338.495 3.868 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106494 1137537090 /nfs/dbraw/zinc/53/70/90/1137537090.db2.gz POKOHPIJGZBVLL-NXWNEQKCSA-N 2 1 338.495 3.868 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001172108467 1137537177 /nfs/dbraw/zinc/53/71/77/1137537177.db2.gz WRCVVWMBVMFBPW-ZSOGYDGISA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3cc(Cl)ccc3nc1CCC[NH3+])C2 ZINC001172106205 1137537204 /nfs/dbraw/zinc/53/72/04/1137537204.db2.gz NKPZXDFDIZBYIF-ZSHCYNCHSA-N 2 1 346.906 3.769 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001172110115 1137537353 /nfs/dbraw/zinc/53/73/53/1137537353.db2.gz KRSCXHPBHZWARA-QDMKHBRRSA-N 2 1 329.419 3.586 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001172110115 1137537355 /nfs/dbraw/zinc/53/73/55/1137537355.db2.gz KRSCXHPBHZWARA-QDMKHBRRSA-N 2 1 329.419 3.586 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112517 1137537817 /nfs/dbraw/zinc/53/78/17/1137537817.db2.gz WUVFYZBDUISVBY-HRMJIJJXSA-N 2 1 341.543 3.774 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112517 1137537818 /nfs/dbraw/zinc/53/78/18/1137537818.db2.gz WUVFYZBDUISVBY-HRMJIJJXSA-N 3 1 341.543 3.774 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112517 1137537820 /nfs/dbraw/zinc/53/78/20/1137537820.db2.gz WUVFYZBDUISVBY-HRMJIJJXSA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112517 1137537822 /nfs/dbraw/zinc/53/78/22/1137537822.db2.gz WUVFYZBDUISVBY-HRMJIJJXSA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112517 1137537824 /nfs/dbraw/zinc/53/78/24/1137537824.db2.gz WUVFYZBDUISVBY-HRMJIJJXSA-N 3 1 341.543 3.774 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001172114789 1137538408 /nfs/dbraw/zinc/53/84/08/1137538408.db2.gz QMHZCKXLPCPVCU-NXOAAHMSSA-N 2 1 341.474 3.784 20 0 EHADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172190375 1137539596 /nfs/dbraw/zinc/53/95/96/1137539596.db2.gz KZLMGUMJUHSYGJ-OALUTQOASA-N 2 1 326.509 3.986 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CSc2ccccc2C1 ZINC001172200173 1137543752 /nfs/dbraw/zinc/54/37/52/1137543752.db2.gz IKNDCELFWDAPSJ-LPHOPBHVSA-N 2 1 326.509 3.800 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC001172256484 1137544653 /nfs/dbraw/zinc/54/46/53/1137544653.db2.gz YOGNQVQWDCALBM-UHFFFAOYSA-N 2 1 348.506 3.581 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CC1 ZINC001172256955 1137545179 /nfs/dbraw/zinc/54/51/79/1137545179.db2.gz IYDFMHNXTCZXLO-OAQYLSRUSA-N 2 1 344.543 3.832 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](CCc3ccccc3)C2)CC1 ZINC001172256955 1137545180 /nfs/dbraw/zinc/54/51/80/1137545180.db2.gz IYDFMHNXTCZXLO-OAQYLSRUSA-N 2 1 344.543 3.832 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172286360 1137547758 /nfs/dbraw/zinc/54/77/58/1137547758.db2.gz AXESNGUGVUQXGS-KNTRFNDTSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172286360 1137547759 /nfs/dbraw/zinc/54/77/59/1137547759.db2.gz AXESNGUGVUQXGS-KNTRFNDTSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172286360 1137547760 /nfs/dbraw/zinc/54/77/60/1137547760.db2.gz AXESNGUGVUQXGS-KNTRFNDTSA-N 2 1 328.500 3.664 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020339 1137565014 /nfs/dbraw/zinc/56/50/14/1137565014.db2.gz GFCWMRRYMLNKFL-KXBFYZLASA-N 2 1 344.499 3.545 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020338 1137565132 /nfs/dbraw/zinc/56/51/32/1137565132.db2.gz GFCWMRRYMLNKFL-HNAYVOBHSA-N 2 1 344.499 3.545 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000872148963 1137573955 /nfs/dbraw/zinc/57/39/55/1137573955.db2.gz JMSSSRDYFGCGLO-MWQQHZPXSA-N 2 1 326.406 3.639 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155368 1137573965 /nfs/dbraw/zinc/57/39/65/1137573965.db2.gz LETKKNUAEMXZFA-CYBMUJFWSA-N 2 1 336.867 3.902 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000872148964 1137574122 /nfs/dbraw/zinc/57/41/22/1137574122.db2.gz JMSSSRDYFGCGLO-MXASKKJJSA-N 2 1 326.406 3.639 20 0 EHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1)C1CCCC1 ZINC000872157210 1137574358 /nfs/dbraw/zinc/57/43/58/1137574358.db2.gz NOIZDPNRYQNGME-RDJZCZTQSA-N 2 1 331.504 3.673 20 0 EHADMP c1cc(N2CCCC2)oc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137066300 1137587816 /nfs/dbraw/zinc/58/78/16/1137587816.db2.gz LLUQDJVYEGUSEQ-GOSISDBHSA-N 2 1 331.504 3.720 20 0 EHADMP c1cc(N2CCCC2)oc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137066300 1137587817 /nfs/dbraw/zinc/58/78/17/1137587817.db2.gz LLUQDJVYEGUSEQ-GOSISDBHSA-N 2 1 331.504 3.720 20 0 EHADMP c1cc(N2CCCC2)oc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137066301 1137587912 /nfs/dbraw/zinc/58/79/12/1137587912.db2.gz LLUQDJVYEGUSEQ-SFHVURJKSA-N 2 1 331.504 3.720 20 0 EHADMP c1cc(N2CCCC2)oc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137066301 1137587913 /nfs/dbraw/zinc/58/79/13/1137587913.db2.gz LLUQDJVYEGUSEQ-SFHVURJKSA-N 2 1 331.504 3.720 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000124393042 1137589971 /nfs/dbraw/zinc/58/99/71/1137589971.db2.gz WRTKLCIISPOXQD-FQEVSTJZSA-N 2 1 347.478 3.802 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000124393042 1137589972 /nfs/dbraw/zinc/58/99/72/1137589972.db2.gz WRTKLCIISPOXQD-FQEVSTJZSA-N 2 1 347.478 3.802 20 0 EHADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231573 1137594529 /nfs/dbraw/zinc/59/45/29/1137594529.db2.gz PBDKPEQQLJLIQY-PBHICJAKSA-N 2 1 338.927 3.502 20 0 EHADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231953 1137594542 /nfs/dbraw/zinc/59/45/42/1137594542.db2.gz HHTBVCMKOXGEOM-PXNSSMCTSA-N 2 1 343.515 3.765 20 0 EHADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000873283041 1137596306 /nfs/dbraw/zinc/59/63/06/1137596306.db2.gz MTBWRNMUFJZBKN-MELADBBJSA-N 2 1 347.812 3.764 20 0 EHADMP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000873283436 1137596326 /nfs/dbraw/zinc/59/63/26/1137596326.db2.gz TXETWLGQGZOPIQ-IXDOHACOSA-N 2 1 342.512 3.606 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000873289707 1137596598 /nfs/dbraw/zinc/59/65/98/1137596598.db2.gz XBMVPQUYFZJXIG-FOIQADDNSA-N 2 1 327.447 3.551 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000873289707 1137596599 /nfs/dbraw/zinc/59/65/99/1137596599.db2.gz XBMVPQUYFZJXIG-FOIQADDNSA-N 2 1 327.447 3.551 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000876931390 1137665605 /nfs/dbraw/zinc/66/56/05/1137665605.db2.gz NKDQVVDNQBOVKY-OAHLLOKOSA-N 2 1 344.890 3.652 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000876931390 1137665606 /nfs/dbraw/zinc/66/56/06/1137665606.db2.gz NKDQVVDNQBOVKY-OAHLLOKOSA-N 2 1 344.890 3.652 20 0 EHADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988423 1137667067 /nfs/dbraw/zinc/66/70/67/1137667067.db2.gz FYQYHTPBQCHIFY-CHWSQXEVSA-N 2 1 333.328 3.744 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877073428 1137669524 /nfs/dbraw/zinc/66/95/24/1137669524.db2.gz KDRRNROTDDJFON-MPJJRAAHSA-N 2 1 341.543 3.817 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877073428 1137669525 /nfs/dbraw/zinc/66/95/25/1137669525.db2.gz KDRRNROTDDJFON-MPJJRAAHSA-N 2 1 341.543 3.817 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878157389 1137704906 /nfs/dbraw/zinc/70/49/06/1137704906.db2.gz ZVFVWTSHAKPTCO-SESVDKBCSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878157389 1137704907 /nfs/dbraw/zinc/70/49/07/1137704907.db2.gz ZVFVWTSHAKPTCO-SESVDKBCSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878157389 1137704908 /nfs/dbraw/zinc/70/49/08/1137704908.db2.gz ZVFVWTSHAKPTCO-SESVDKBCSA-N 2 1 328.500 3.570 20 0 EHADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)n1 ZINC000878252353 1137708748 /nfs/dbraw/zinc/70/87/48/1137708748.db2.gz JLUUEMQIIFUZPF-QRVBRYPASA-N 2 1 325.456 3.900 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)CC1 ZINC000878549790 1137719889 /nfs/dbraw/zinc/71/98/89/1137719889.db2.gz PIYNAXKSCCXKBV-UXHICEINSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc(-c3ccccc3)s1)CC2 ZINC000879250767 1137742595 /nfs/dbraw/zinc/74/25/95/1137742595.db2.gz YZELASIAEZEDSX-UHFFFAOYSA-N 2 1 342.512 3.513 20 0 EHADMP FC1CC[NH+](C2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC001137176930 1137825219 /nfs/dbraw/zinc/82/52/19/1137825219.db2.gz XMMKAJSMZLDCJX-UHFFFAOYSA-N 2 1 327.447 3.633 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883228464 1137849605 /nfs/dbraw/zinc/84/96/05/1137849605.db2.gz NDKRMSGGGOIMRH-UZLBHIALSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239012 1137849992 /nfs/dbraw/zinc/84/99/92/1137849992.db2.gz TYVWPGXWNUFWCJ-JXFKEZNVSA-N 2 1 334.479 3.615 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC4(CCC4)O2)C3)cc1 ZINC000883357097 1137857354 /nfs/dbraw/zinc/85/73/54/1137857354.db2.gz CSGBZDFEUYWBKJ-MXEMCNAFSA-N 2 1 340.511 3.873 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[C@]24CCCO4)C3)cc1 ZINC000883365502 1137857642 /nfs/dbraw/zinc/85/76/42/1137857642.db2.gz BTKCZUSPTBSKAM-YHINDDMVSA-N 2 1 340.511 3.873 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1Br)C1CCC([NH3+])CC1 ZINC000132991698 1137874426 /nfs/dbraw/zinc/87/44/26/1137874426.db2.gz YMQDCVSZEAQTIG-UHFFFAOYSA-N 2 1 331.685 3.804 20 0 EHADMP Cc1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000103142859 1137875323 /nfs/dbraw/zinc/87/53/23/1137875323.db2.gz WABMQFIJEAMFFC-UHFFFAOYSA-N 2 1 329.513 3.796 20 0 EHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370328 1137886755 /nfs/dbraw/zinc/88/67/55/1137886755.db2.gz WRNKQJKELAMFDS-OALUTQOASA-N 2 1 335.923 3.503 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C ZINC000885923416 1138025008 /nfs/dbraw/zinc/02/50/08/1138025008.db2.gz ZMWDCIHWRJXFFB-OAHLLOKOSA-N 2 1 326.488 3.691 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886554862 1138095263 /nfs/dbraw/zinc/09/52/63/1138095263.db2.gz FCJINHYVWIVDCI-HBMCJLEFSA-N 2 1 342.527 3.836 20 0 EHADMP CCn1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886622171 1138103387 /nfs/dbraw/zinc/10/33/87/1138103387.db2.gz LSGZNASMKJTERN-PLWAMTLXSA-N 2 1 338.499 3.607 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c2ccccc21 ZINC000886638358 1138104303 /nfs/dbraw/zinc/10/43/03/1138104303.db2.gz RZBGIJBAKWHFFK-YXGLXVCQSA-N 2 1 348.490 3.808 20 0 EHADMP CCOc1ccccc1OCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886666518 1138111364 /nfs/dbraw/zinc/11/13/64/1138111364.db2.gz UMYHFBVDWOFPHR-UHFFFAOYSA-N 2 1 343.471 3.684 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000348401368 1138187773 /nfs/dbraw/zinc/18/77/73/1138187773.db2.gz BCDSCRZPGZRCSS-KKSFZXQISA-N 2 1 338.499 3.848 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000123021358 1138265282 /nfs/dbraw/zinc/26/52/82/1138265282.db2.gz QJSOUSMIEALPLT-YPMHNXCESA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000123021358 1138265284 /nfs/dbraw/zinc/26/52/84/1138265284.db2.gz QJSOUSMIEALPLT-YPMHNXCESA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123021358 1138265286 /nfs/dbraw/zinc/26/52/86/1138265286.db2.gz QJSOUSMIEALPLT-YPMHNXCESA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123021358 1138265288 /nfs/dbraw/zinc/26/52/88/1138265288.db2.gz QJSOUSMIEALPLT-YPMHNXCESA-N 2 1 329.257 3.503 20 0 EHADMP Fc1ccc(C2CC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000128149325 1138382055 /nfs/dbraw/zinc/38/20/55/1138382055.db2.gz YIUXLVDTGJGJFE-UHFFFAOYSA-N 2 1 346.490 3.696 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2c(Cl)cnn2C)cc1 ZINC000130498418 1138458591 /nfs/dbraw/zinc/45/85/91/1138458591.db2.gz PSNVXUUDXSZDHO-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000130498418 1138458593 /nfs/dbraw/zinc/45/85/93/1138458593.db2.gz PSNVXUUDXSZDHO-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000130498418 1138458596 /nfs/dbraw/zinc/45/85/96/1138458596.db2.gz PSNVXUUDXSZDHO-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000337338270 1138538136 /nfs/dbraw/zinc/53/81/36/1138538136.db2.gz NQYOIXRBVKETFQ-KRWDZBQOSA-N 2 1 330.472 3.815 20 0 EHADMP Fc1ccc(CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1F ZINC000337452908 1138573370 /nfs/dbraw/zinc/57/33/70/1138573370.db2.gz UUIGGYNNGIBJAO-MRXNPFEDSA-N 2 1 345.437 3.920 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000337816009 1138674620 /nfs/dbraw/zinc/67/46/20/1138674620.db2.gz OMNZGTLAWFEGCK-OAHLLOKOSA-N 2 1 332.517 3.503 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749424 1139150094 /nfs/dbraw/zinc/15/00/94/1139150094.db2.gz JWQIPWHVEYFMNK-ZRGWGRIASA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749424 1139150099 /nfs/dbraw/zinc/15/00/99/1139150099.db2.gz JWQIPWHVEYFMNK-ZRGWGRIASA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H](c1ccccn1)[NH+](C)CCCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000177201929 1139604146 /nfs/dbraw/zinc/60/41/46/1139604146.db2.gz QIQPDGFEAHRUHP-ROUUACIJSA-N 2 1 326.488 3.943 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1O ZINC000178409651 1139692535 /nfs/dbraw/zinc/69/25/35/1139692535.db2.gz ICHXLHIEEMRPKZ-YJBOKZPZSA-N 2 1 332.488 3.534 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1Cl ZINC000180640361 1139852290 /nfs/dbraw/zinc/85/22/90/1139852290.db2.gz QQCJFTWQBVNYPA-YJBOKZPZSA-N 2 1 344.886 3.757 20 0 EHADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1nccn1C ZINC000182841173 1139996289 /nfs/dbraw/zinc/99/62/89/1139996289.db2.gz HJWMEOYBRFXNOV-HXUWFJFHSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(CO)c1 ZINC000183221977 1140022495 /nfs/dbraw/zinc/02/24/95/1140022495.db2.gz YUSLRGADJNDXQU-SFHVURJKSA-N 2 1 338.495 3.537 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCS2 ZINC000187758330 1140269950 /nfs/dbraw/zinc/26/99/50/1140269950.db2.gz YICMQRFAPJKBGT-KDOFPFPSSA-N 2 1 332.513 3.696 20 0 EHADMP CC(C)(C)[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193282352 1140569615 /nfs/dbraw/zinc/56/96/15/1140569615.db2.gz LGXRQHUJDHMFDE-NXEWRWPSSA-N 2 1 330.516 3.569 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000268778761 1140989609 /nfs/dbraw/zinc/98/96/09/1140989609.db2.gz CIDIHFSDPQBYGM-AWEZNQCLSA-N 2 1 341.434 3.566 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268779587 1140990214 /nfs/dbraw/zinc/99/02/14/1140990214.db2.gz CLNBUGFBNSYWSY-NSHDSACASA-N 2 1 327.350 3.673 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837866 1141004555 /nfs/dbraw/zinc/00/45/55/1141004555.db2.gz QBNQHLKPEUHCAZ-AZUAARDMSA-N 2 1 348.494 3.537 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837866 1141004563 /nfs/dbraw/zinc/00/45/63/1141004563.db2.gz QBNQHLKPEUHCAZ-AZUAARDMSA-N 2 1 348.494 3.537 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000268900300 1141021444 /nfs/dbraw/zinc/02/14/44/1141021444.db2.gz WLOUZIZARFPMOL-MRXNPFEDSA-N 2 1 334.261 3.621 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269005535 1141044064 /nfs/dbraw/zinc/04/40/64/1141044064.db2.gz VXUPEUGDMFOXNU-HLAWJBBLSA-N 2 1 332.532 3.531 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434701 1141223281 /nfs/dbraw/zinc/22/32/81/1141223281.db2.gz JGMOTKSQCUBTKZ-MNOVXSKESA-N 2 1 328.287 3.711 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507115 1141233559 /nfs/dbraw/zinc/23/35/59/1141233559.db2.gz ORPVXVVVWAIENL-FUHWJXTLSA-N 2 1 344.524 3.803 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507115 1141233563 /nfs/dbraw/zinc/23/35/63/1141233563.db2.gz ORPVXVVVWAIENL-FUHWJXTLSA-N 2 1 344.524 3.803 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271511748 1141385228 /nfs/dbraw/zinc/38/52/28/1141385228.db2.gz NVZOXWLMXFTEKW-IPELMVKDSA-N 2 1 342.483 3.770 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548229 1141394475 /nfs/dbraw/zinc/39/44/75/1141394475.db2.gz UNLXGVVVAYMCPS-JBBXEZCESA-N 2 1 340.870 3.508 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@H](C)c2ccccc2)C2CC2)CC1 ZINC000283191679 1141570619 /nfs/dbraw/zinc/57/06/19/1141570619.db2.gz FSBORLQSWOGAID-LJQANCHMSA-N 2 1 329.532 3.628 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643713 202024467 /nfs/dbraw/zinc/02/44/67/202024467.db2.gz VHFKCYBQLDTKLS-CJNGLKHVSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000071947018 201172716 /nfs/dbraw/zinc/17/27/16/201172716.db2.gz SCBZXMXPHVFACF-UHFFFAOYSA-N 2 1 348.922 3.820 20 0 EHADMP c1oc2ccccc2c1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328639840 258024374 /nfs/dbraw/zinc/02/43/74/258024374.db2.gz PRGXMRXNXBCXNS-IBGZPJMESA-N 2 1 335.451 3.972 20 0 EHADMP c1oc2ccccc2c1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328639840 258024375 /nfs/dbraw/zinc/02/43/75/258024375.db2.gz PRGXMRXNXBCXNS-IBGZPJMESA-N 2 1 335.451 3.972 20 0 EHADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275582904 564009441 /nfs/dbraw/zinc/00/94/41/564009441.db2.gz HLDDFDFWMLHARY-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275582904 564009442 /nfs/dbraw/zinc/00/94/42/564009442.db2.gz HLDDFDFWMLHARY-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275582904 564009443 /nfs/dbraw/zinc/00/94/43/564009443.db2.gz HLDDFDFWMLHARY-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275582904 564009444 /nfs/dbraw/zinc/00/94/44/564009444.db2.gz HLDDFDFWMLHARY-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP Cn1ccc2c1cc[nH+]c2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621026 719066920 /nfs/dbraw/zinc/06/69/20/719066920.db2.gz GJDRGJWHRRIVGG-NQIIRXRSSA-N 2 1 346.478 3.674 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)CC2CC[NH+](C)CC2)nc1 ZINC001165044646 721938821 /nfs/dbraw/zinc/93/88/21/721938821.db2.gz QDNNAVMOKHGJLE-FQEVSTJZSA-N 2 1 344.547 3.797 20 0 EHADMP c1nc2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284368 1032063168 /nfs/dbraw/zinc/06/31/68/1032063168.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284368 1032063185 /nfs/dbraw/zinc/06/31/85/1032063185.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284368 1032063200 /nfs/dbraw/zinc/06/32/00/1032063200.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284368 1032063214 /nfs/dbraw/zinc/06/32/14/1032063214.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284368 1032063230 /nfs/dbraw/zinc/06/32/30/1032063230.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284368 1032063245 /nfs/dbraw/zinc/06/32/45/1032063245.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284368 1032063254 /nfs/dbraw/zinc/06/32/54/1032063254.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000305773037 1125463280 /nfs/dbraw/zinc/46/32/80/1125463280.db2.gz VLGCSTLFWILJAW-NWANDNLSSA-N 2 1 342.936 3.820 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433826 1014431585 /nfs/dbraw/zinc/43/15/85/1014431585.db2.gz GICNWPNPBUDOIS-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433826 1014431588 /nfs/dbraw/zinc/43/15/88/1014431588.db2.gz GICNWPNPBUDOIS-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433826 1014431592 /nfs/dbraw/zinc/43/15/92/1014431592.db2.gz GICNWPNPBUDOIS-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433826 1014431595 /nfs/dbraw/zinc/43/15/95/1014431595.db2.gz GICNWPNPBUDOIS-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1OC(F)F ZINC000643546007 1014477146 /nfs/dbraw/zinc/47/71/46/1014477146.db2.gz GZWJSWXBMHOUPM-YPMHNXCESA-N 2 1 328.378 3.752 20 0 EHADMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449024659 1032100018 /nfs/dbraw/zinc/10/00/18/1032100018.db2.gz CQWONULFXRWVDA-QGZVFWFLSA-N 2 1 327.476 3.594 20 0 EHADMP CCc1nccn1[C@@H]1CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000449024659 1032100028 /nfs/dbraw/zinc/10/00/28/1032100028.db2.gz CQWONULFXRWVDA-QGZVFWFLSA-N 2 1 327.476 3.594 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000510086044 1014880758 /nfs/dbraw/zinc/88/07/58/1014880758.db2.gz NNPHKHMAZFWFJH-UHFFFAOYSA-N 2 1 349.494 3.517 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000510086044 1014880771 /nfs/dbraw/zinc/88/07/71/1014880771.db2.gz NNPHKHMAZFWFJH-UHFFFAOYSA-N 2 1 349.494 3.517 20 0 EHADMP COCC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760625 1014955330 /nfs/dbraw/zinc/95/53/30/1014955330.db2.gz KBTUFIXXPQDROW-RLLQIKCJSA-N 2 1 342.483 3.857 20 0 EHADMP COCC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760625 1014955341 /nfs/dbraw/zinc/95/53/41/1014955341.db2.gz KBTUFIXXPQDROW-RLLQIKCJSA-N 2 1 342.483 3.857 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC2)OC(C)(C)c2ccccc23)C1 ZINC001208612281 1015071482 /nfs/dbraw/zinc/07/14/82/1015071482.db2.gz MBUBXTIMDLTPJX-QGZVFWFLSA-N 2 1 328.500 3.585 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000154542380 1015537128 /nfs/dbraw/zinc/53/71/28/1015537128.db2.gz KLXAPRXVXJGCPZ-HXUWFJFHSA-N 2 1 331.548 3.680 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979658 1015692561 /nfs/dbraw/zinc/69/25/61/1015692561.db2.gz ZAGHQAGUMYOXPM-FUHWJXTLSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979658 1015692562 /nfs/dbraw/zinc/69/25/62/1015692562.db2.gz ZAGHQAGUMYOXPM-FUHWJXTLSA-N 2 1 343.902 3.950 20 0 EHADMP FC(F)(F)C1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000123509584 1015817523 /nfs/dbraw/zinc/81/75/23/1015817523.db2.gz FFAQOBYEWQUMOB-UHFFFAOYSA-N 2 1 348.453 3.732 20 0 EHADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000180543428 1015977450 /nfs/dbraw/zinc/97/74/50/1015977450.db2.gz GBWPFYGSWHNISU-SFHVURJKSA-N 2 1 336.545 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)CC[N@H+]1C ZINC000177891788 1016485395 /nfs/dbraw/zinc/48/53/95/1016485395.db2.gz DIZMEUHNYQUFMK-NQIIRXRSSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120821 1016625480 /nfs/dbraw/zinc/62/54/80/1016625480.db2.gz HPFCCWZCAIQNAI-STQMWFEESA-N 2 1 330.394 3.810 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120821 1016625487 /nfs/dbraw/zinc/62/54/87/1016625487.db2.gz HPFCCWZCAIQNAI-STQMWFEESA-N 2 1 330.394 3.810 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238097 1016751480 /nfs/dbraw/zinc/75/14/80/1016751480.db2.gz YAANYPHIUDCBJB-APWZRJJASA-N 2 1 332.488 3.634 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCCN5)C[C@@H]3C2)cc1 ZINC000705970143 1016751713 /nfs/dbraw/zinc/75/17/13/1016751713.db2.gz YRGHVSHDEPLTQC-SZPZYZBQSA-N 2 1 347.506 3.609 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)CCCN5)C[C@@H]3C2)cc1 ZINC000705970143 1016751727 /nfs/dbraw/zinc/75/17/27/1016751727.db2.gz YRGHVSHDEPLTQC-SZPZYZBQSA-N 2 1 347.506 3.609 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5c(c4)CCCN5)C[C@@H]3C2)cc1 ZINC000705970143 1016751738 /nfs/dbraw/zinc/75/17/38/1016751738.db2.gz YRGHVSHDEPLTQC-SZPZYZBQSA-N 2 1 347.506 3.609 20 0 EHADMP C[C@H](NCc1cc(F)ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380169225 1016912913 /nfs/dbraw/zinc/91/29/13/1016912913.db2.gz MOZDQVPXIXDGMV-DOTOQJQBSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380169225 1016912924 /nfs/dbraw/zinc/91/29/24/1016912924.db2.gz MOZDQVPXIXDGMV-DOTOQJQBSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380169225 1016912940 /nfs/dbraw/zinc/91/29/40/1016912940.db2.gz MOZDQVPXIXDGMV-DOTOQJQBSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000624122371 1016926490 /nfs/dbraw/zinc/92/64/90/1016926490.db2.gz PIZQDRISQFANPM-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2c1 ZINC000536696286 1032152330 /nfs/dbraw/zinc/15/23/30/1032152330.db2.gz SKZASTJECVXJDL-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2c1 ZINC000536696286 1032152335 /nfs/dbraw/zinc/15/23/35/1032152335.db2.gz SKZASTJECVXJDL-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP COc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2c1 ZINC000536696286 1032152328 /nfs/dbraw/zinc/15/23/28/1032152328.db2.gz SKZASTJECVXJDL-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2c1 ZINC000536696286 1032152342 /nfs/dbraw/zinc/15/23/42/1032152342.db2.gz SKZASTJECVXJDL-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP C[C@@H]([NH2+]CCCOC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827813 1016962768 /nfs/dbraw/zinc/96/27/68/1016962768.db2.gz BHZQNADNLSVQML-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000449079141 1032169332 /nfs/dbraw/zinc/16/93/32/1032169332.db2.gz XGPURWMZAVAUEC-KRWDZBQOSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449079141 1032169336 /nfs/dbraw/zinc/16/93/36/1032169336.db2.gz XGPURWMZAVAUEC-KRWDZBQOSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000449079141 1032169343 /nfs/dbraw/zinc/16/93/43/1032169343.db2.gz XGPURWMZAVAUEC-KRWDZBQOSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000449081443 1032171836 /nfs/dbraw/zinc/17/18/36/1032171836.db2.gz FGWHXSQHXVUHPG-RTBURBONSA-N 2 1 335.580 3.882 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)NC(C)(C)C ZINC000449095971 1032175364 /nfs/dbraw/zinc/17/53/64/1032175364.db2.gz DAAMVUBCIBDGKU-OAHLLOKOSA-N 2 1 339.568 3.558 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840735 1032184466 /nfs/dbraw/zinc/18/44/66/1032184466.db2.gz IJGGRYJYHVWIST-HZPDHXFCSA-N 2 1 342.483 3.849 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108980 1032189981 /nfs/dbraw/zinc/18/99/81/1032189981.db2.gz WMNMOYMCJSEQNW-DLBZAZTESA-N 2 1 334.529 3.651 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108980 1032189990 /nfs/dbraw/zinc/18/99/90/1032189990.db2.gz WMNMOYMCJSEQNW-DLBZAZTESA-N 2 1 334.529 3.651 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108981 1032190694 /nfs/dbraw/zinc/19/06/94/1032190694.db2.gz WMNMOYMCJSEQNW-IAGOWNOFSA-N 2 1 334.529 3.651 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108981 1032190700 /nfs/dbraw/zinc/19/07/00/1032190700.db2.gz WMNMOYMCJSEQNW-IAGOWNOFSA-N 2 1 334.529 3.651 20 0 EHADMP Cn1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(Cl)cc21 ZINC000459500076 1032202054 /nfs/dbraw/zinc/20/20/54/1032202054.db2.gz BJIWQTNWYPXDFB-UHFFFAOYSA-N 2 1 331.891 3.591 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528402190 1032229492 /nfs/dbraw/zinc/22/94/92/1032229492.db2.gz DFWQDYVZFBBKMG-QGZVFWFLSA-N 2 1 348.506 3.795 20 0 EHADMP CCOc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(Cl)c1O ZINC000459509118 1032233844 /nfs/dbraw/zinc/23/38/44/1032233844.db2.gz BNGCOJUPUYVFAX-UHFFFAOYSA-N 2 1 340.895 3.656 20 0 EHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000183955184 1032247150 /nfs/dbraw/zinc/24/71/50/1032247150.db2.gz SWRUHWGWTGAZPP-QGZVFWFLSA-N 2 1 343.515 3.586 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000379655708 1032251128 /nfs/dbraw/zinc/25/11/28/1032251128.db2.gz MRHFQBZVYPSLHJ-LPHOPBHVSA-N 2 1 338.451 3.558 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000536844288 1032339536 /nfs/dbraw/zinc/33/95/36/1032339536.db2.gz GMTOKEJZPFKFJK-NUEKZKHPSA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000536844288 1032339555 /nfs/dbraw/zinc/33/95/55/1032339555.db2.gz GMTOKEJZPFKFJK-NUEKZKHPSA-N 2 1 339.321 3.843 20 0 EHADMP CCOC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000657852632 1032347153 /nfs/dbraw/zinc/34/71/53/1032347153.db2.gz WMXGTAOMXVXCRY-UHFFFAOYSA-N 2 1 331.435 3.757 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccncc3C)C2)s1 ZINC000528494949 1032356523 /nfs/dbraw/zinc/35/65/23/1032356523.db2.gz AVZIIQGEEHCHFY-KRWDZBQOSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccncc3C)C2)s1 ZINC000528494949 1032356534 /nfs/dbraw/zinc/35/65/34/1032356534.db2.gz AVZIIQGEEHCHFY-KRWDZBQOSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccncc3C)C2)s1 ZINC000528494949 1032356543 /nfs/dbraw/zinc/35/65/43/1032356543.db2.gz AVZIIQGEEHCHFY-KRWDZBQOSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)s2)cc1 ZINC000459724444 1032430763 /nfs/dbraw/zinc/43/07/63/1032430763.db2.gz DRINGPWCMXHVJQ-INIZCTEOSA-N 2 1 329.513 3.940 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000459775340 1032463695 /nfs/dbraw/zinc/46/36/95/1032463695.db2.gz JKTKHDSMWNVSCZ-NSHDSACASA-N 2 1 347.247 3.549 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC3CCC(C)(O)CC3)cc2)CC1 ZINC000892380312 1032472470 /nfs/dbraw/zinc/47/24/70/1032472470.db2.gz MVCFOCDGLRVDMV-UHFFFAOYSA-N 2 1 345.531 3.570 20 0 EHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000414631397 1017094429 /nfs/dbraw/zinc/09/44/29/1017094429.db2.gz WTLPUARZTGFCTQ-UHFFFAOYSA-N 2 1 348.450 3.707 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000537173965 1032547760 /nfs/dbraw/zinc/54/77/60/1032547760.db2.gz QPLTUTUMSJNVGZ-NRFANRHFSA-N 2 1 347.547 3.827 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449450879 1032566841 /nfs/dbraw/zinc/56/68/41/1032566841.db2.gz PLWUVCLABHRNJE-SFHVURJKSA-N 2 1 340.870 3.631 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000449463881 1032613519 /nfs/dbraw/zinc/61/35/19/1032613519.db2.gz XBDMEDADCJSWQK-IUODEOHRSA-N 2 1 338.377 3.739 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377078088 1017319785 /nfs/dbraw/zinc/31/97/85/1017319785.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 3 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000377078088 1017319800 /nfs/dbraw/zinc/31/98/00/1017319800.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000377078088 1017319816 /nfs/dbraw/zinc/31/98/16/1017319816.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377078088 1017319826 /nfs/dbraw/zinc/31/98/26/1017319826.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377078088 1017319840 /nfs/dbraw/zinc/31/98/40/1017319840.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000377078088 1017319852 /nfs/dbraw/zinc/31/98/52/1017319852.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000377078088 1017319866 /nfs/dbraw/zinc/31/98/66/1017319866.db2.gz NLQLRWKSECOWJJ-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP c1ccc2c(c1)cccc2CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655688829 1017390513 /nfs/dbraw/zinc/39/05/13/1017390513.db2.gz LHDYVYTZMISGRT-NRFANRHFSA-N 2 1 338.495 3.615 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655722008 1017463376 /nfs/dbraw/zinc/46/33/76/1017463376.db2.gz UMYXFHJWBUDDOR-UXLLHSPISA-N 2 1 348.453 3.588 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054177 1017474115 /nfs/dbraw/zinc/47/41/15/1017474115.db2.gz PMAPXTLCZYIKDL-RDJZCZTQSA-N 2 1 342.405 3.592 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415068462 1017498455 /nfs/dbraw/zinc/49/84/55/1017498455.db2.gz RBXRQHCYJFOMPO-CXAGYDPISA-N 2 1 326.431 3.716 20 0 EHADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655752359 1017533877 /nfs/dbraw/zinc/53/38/77/1017533877.db2.gz LENIWZZBIYSGHW-OAQYLSRUSA-N 2 1 342.527 3.632 20 0 EHADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000415088091 1017534511 /nfs/dbraw/zinc/53/45/11/1017534511.db2.gz LOTZRYJJVXMYPR-ILXRZTDVSA-N 2 1 338.467 3.804 20 0 EHADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415106591 1017550212 /nfs/dbraw/zinc/55/02/12/1017550212.db2.gz OBDOOEZFOIVZOJ-CMOCDZPBSA-N 2 1 336.479 3.847 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCC(C)C ZINC000415137218 1017600257 /nfs/dbraw/zinc/60/02/57/1017600257.db2.gz YACLPXVJZPCGNE-FUHWJXTLSA-N 2 1 334.504 3.537 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCCO1 ZINC000655848847 1017776395 /nfs/dbraw/zinc/77/63/95/1017776395.db2.gz KKXAMJWMGBDXSS-PBASOCQRSA-N 2 1 330.516 3.977 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCCO1 ZINC000655848847 1017776409 /nfs/dbraw/zinc/77/64/09/1017776409.db2.gz KKXAMJWMGBDXSS-PBASOCQRSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958733 1017787036 /nfs/dbraw/zinc/78/70/36/1017787036.db2.gz KAGHWSXNCATTSG-QGZVFWFLSA-N 2 1 327.497 3.738 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958733 1017787047 /nfs/dbraw/zinc/78/70/47/1017787047.db2.gz KAGHWSXNCATTSG-QGZVFWFLSA-N 2 1 327.497 3.738 20 0 EHADMP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958731 1017787130 /nfs/dbraw/zinc/78/71/30/1017787130.db2.gz KAGHWSXNCATTSG-KRWDZBQOSA-N 2 1 327.497 3.738 20 0 EHADMP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958731 1017787143 /nfs/dbraw/zinc/78/71/43/1017787143.db2.gz KAGHWSXNCATTSG-KRWDZBQOSA-N 2 1 327.497 3.738 20 0 EHADMP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000340477942 1018028963 /nfs/dbraw/zinc/02/89/63/1018028963.db2.gz YAHHFGGJCPNIOJ-IBGZPJMESA-N 2 1 344.478 3.504 20 0 EHADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340500291 1018154253 /nfs/dbraw/zinc/15/42/53/1018154253.db2.gz RDKRYZDLWINFQS-NQIIRXRSSA-N 2 1 336.479 3.881 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1)C(C)C ZINC000340536754 1018311308 /nfs/dbraw/zinc/31/13/08/1018311308.db2.gz JGPOCKQHLAIBSM-UHFFFAOYSA-N 2 1 347.547 3.577 20 0 EHADMP COc1cccc(C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)c2ccccc2)c1 ZINC000377802937 1018399658 /nfs/dbraw/zinc/39/96/58/1018399658.db2.gz PKQADSVNNQNCIK-RXVVDRJESA-N 2 1 347.462 3.849 20 0 EHADMP CCCCOc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000449554544 1032786789 /nfs/dbraw/zinc/78/67/89/1032786789.db2.gz CEVKIIPUXHITDA-AYHJJNSGSA-N 2 1 332.488 3.589 20 0 EHADMP CCCCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000449554544 1032786804 /nfs/dbraw/zinc/78/68/04/1032786804.db2.gz CEVKIIPUXHITDA-AYHJJNSGSA-N 2 1 332.488 3.589 20 0 EHADMP Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000261757037 1018939275 /nfs/dbraw/zinc/93/92/75/1018939275.db2.gz CQBSCNIFMHWQMM-IFMALSPDSA-N 2 1 338.495 3.530 20 0 EHADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1Br ZINC000449557692 1032796930 /nfs/dbraw/zinc/79/69/30/1032796930.db2.gz SDJILWKOOHOSAM-YOGCLGLASA-N 2 1 329.307 3.534 20 0 EHADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1Br ZINC000449557692 1032796947 /nfs/dbraw/zinc/79/69/47/1032796947.db2.gz SDJILWKOOHOSAM-YOGCLGLASA-N 2 1 329.307 3.534 20 0 EHADMP Cc1cc(F)ncc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279452109 1019105751 /nfs/dbraw/zinc/10/57/51/1019105751.db2.gz AAROMBLGIZYPNN-UHFFFAOYSA-N 2 1 331.479 3.760 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000092587294 1032833135 /nfs/dbraw/zinc/83/31/35/1032833135.db2.gz RZNTZIZXCHVOEQ-GKJHBJHPSA-N 2 1 342.527 3.611 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513332317 1019547466 /nfs/dbraw/zinc/54/74/66/1019547466.db2.gz ZLLDLLJFZNWJPG-FPOVZHCZSA-N 2 1 344.543 3.962 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513332317 1019547476 /nfs/dbraw/zinc/54/74/76/1019547476.db2.gz ZLLDLLJFZNWJPG-FPOVZHCZSA-N 2 1 344.543 3.962 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000471590001 1019563363 /nfs/dbraw/zinc/56/33/63/1019563363.db2.gz UAFNNKMAZHXZLD-OMZCVMJRSA-N 2 1 330.516 3.689 20 0 EHADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000710030757 1019727779 /nfs/dbraw/zinc/72/77/79/1019727779.db2.gz OAHLWJQYULNWCQ-QFIPXVFZSA-N 2 1 336.479 3.841 20 0 EHADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000710030757 1019727798 /nfs/dbraw/zinc/72/77/98/1019727798.db2.gz OAHLWJQYULNWCQ-QFIPXVFZSA-N 2 1 336.479 3.841 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000664203611 1019765632 /nfs/dbraw/zinc/76/56/32/1019765632.db2.gz XYKBYSZMYZHPIM-DZFGPLHGSA-N 2 1 339.458 3.531 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000275945659 1019958641 /nfs/dbraw/zinc/95/86/41/1019958641.db2.gz ZRZNZMGPJGXLCG-NSHDSACASA-N 2 1 340.240 3.834 20 0 EHADMP CCO[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000625447456 1020455804 /nfs/dbraw/zinc/45/58/04/1020455804.db2.gz RQAPURZOKDVYCU-NRFANRHFSA-N 2 1 342.527 3.790 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430554858 1020663419 /nfs/dbraw/zinc/66/34/19/1020663419.db2.gz OAQNNUUNNFHACJ-LSDHHAIUSA-N 2 1 344.421 3.924 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](CNCc3ccc4c(n3)CCC4)C2)cc1 ZINC000656493967 1020729569 /nfs/dbraw/zinc/72/95/69/1020729569.db2.gz RULXTIGBVZSUKM-LJQANCHMSA-N 2 1 335.495 3.572 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656493967 1020729581 /nfs/dbraw/zinc/72/95/81/1020729581.db2.gz RULXTIGBVZSUKM-LJQANCHMSA-N 2 1 335.495 3.572 20 0 EHADMP Cc1ccc(CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]2CCCO2)cc1 ZINC001167461850 1020906432 /nfs/dbraw/zinc/90/64/32/1020906432.db2.gz UAQGSWGZRHYZNV-NHCUHLMSSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]2CCCO2)cc1 ZINC001167461850 1020906433 /nfs/dbraw/zinc/90/64/33/1020906433.db2.gz UAQGSWGZRHYZNV-NHCUHLMSSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]2CCCO2)cc1 ZINC001167461850 1020906435 /nfs/dbraw/zinc/90/64/35/1020906435.db2.gz UAQGSWGZRHYZNV-NHCUHLMSSA-N 2 1 330.516 3.503 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000235474170 1021053039 /nfs/dbraw/zinc/05/30/39/1021053039.db2.gz UVDCACZUOVWVKW-JTQLQIEISA-N 2 1 331.685 3.662 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786412 1021332179 /nfs/dbraw/zinc/33/21/79/1021332179.db2.gz SGAWREWMVVZSDS-IBGZPJMESA-N 2 1 338.499 3.597 20 0 EHADMP CCC[N@H+](CCSCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000119992096 1021423082 /nfs/dbraw/zinc/42/30/82/1021423082.db2.gz VHIYKLOYWYGSTB-UHFFFAOYSA-N 2 1 336.549 3.527 20 0 EHADMP CCC[N@@H+](CCSCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000119992096 1021423090 /nfs/dbraw/zinc/42/30/90/1021423090.db2.gz VHIYKLOYWYGSTB-UHFFFAOYSA-N 2 1 336.549 3.527 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1O ZINC000426404153 1021507990 /nfs/dbraw/zinc/50/79/90/1021507990.db2.gz HMCJUKFIDKFYAO-FIKGOQFSSA-N 2 1 348.531 3.822 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000684385659 1021509879 /nfs/dbraw/zinc/50/98/79/1021509879.db2.gz KKBMFQFDSGLMSZ-UXHICEINSA-N 2 1 342.483 3.959 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+](C)C2CCCCC2)cc1O ZINC000426413393 1021514148 /nfs/dbraw/zinc/51/41/48/1021514148.db2.gz SARAIOYBCZFQIQ-MRXNPFEDSA-N 2 1 334.504 3.576 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCCC2)cc1O ZINC000426413393 1021514154 /nfs/dbraw/zinc/51/41/54/1021514154.db2.gz SARAIOYBCZFQIQ-MRXNPFEDSA-N 2 1 334.504 3.576 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCOCC1 ZINC000164527902 1021565521 /nfs/dbraw/zinc/56/55/21/1021565521.db2.gz MRQKQGOJZDHEFM-KRWDZBQOSA-N 2 1 342.483 3.816 20 0 EHADMP COC(=O)c1csc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000602592038 1032989967 /nfs/dbraw/zinc/98/99/67/1032989967.db2.gz GWFUQWUMYBQRPB-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000430541537 1021591458 /nfs/dbraw/zinc/59/14/58/1021591458.db2.gz BJNZPSPRTBGWPB-INIZCTEOSA-N 2 1 332.410 3.827 20 0 EHADMP C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564911773 1021640739 /nfs/dbraw/zinc/64/07/39/1021640739.db2.gz LIQZAYZGCQALCG-MOPGFXCFSA-N 2 1 329.532 3.756 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542704 1021666728 /nfs/dbraw/zinc/66/67/28/1021666728.db2.gz CYCWXDNKYMIYDF-KBPBESRZSA-N 2 1 330.394 3.534 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441148269 1022026686 /nfs/dbraw/zinc/02/66/86/1022026686.db2.gz SGVLXTMHMGPUQC-LJQANCHMSA-N 2 1 332.488 3.558 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441148269 1022026703 /nfs/dbraw/zinc/02/67/03/1022026703.db2.gz SGVLXTMHMGPUQC-LJQANCHMSA-N 2 1 332.488 3.558 20 0 EHADMP CC(C)OC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441148269 1022026720 /nfs/dbraw/zinc/02/67/20/1022026720.db2.gz SGVLXTMHMGPUQC-LJQANCHMSA-N 2 1 332.488 3.558 20 0 EHADMP CC(C)OC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441148269 1022026737 /nfs/dbraw/zinc/02/67/37/1022026737.db2.gz SGVLXTMHMGPUQC-LJQANCHMSA-N 2 1 332.488 3.558 20 0 EHADMP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000276662078 1022061887 /nfs/dbraw/zinc/06/18/87/1022061887.db2.gz QZAVOAMEAVQPDY-PPXMBRMGSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000276662078 1022061903 /nfs/dbraw/zinc/06/19/03/1022061903.db2.gz QZAVOAMEAVQPDY-PPXMBRMGSA-N 2 1 330.516 3.834 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471761961 1022068900 /nfs/dbraw/zinc/06/89/00/1022068900.db2.gz SJCKDUZJRKRTBK-IAGOWNOFSA-N 2 1 337.389 3.907 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070693 1022095653 /nfs/dbraw/zinc/09/56/53/1022095653.db2.gz CYEXEZZBEFEWED-LBPRGKRZSA-N 2 1 331.287 3.884 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414913354 1022126480 /nfs/dbraw/zinc/12/64/80/1022126480.db2.gz WLRFNTHXPOPWQI-HNNXBMFYSA-N 2 1 343.334 3.650 20 0 EHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335422 1022155214 /nfs/dbraw/zinc/15/52/14/1022155214.db2.gz YKCAKRYFORTWSF-HNNXBMFYSA-N 2 1 330.394 3.891 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335422 1022155228 /nfs/dbraw/zinc/15/52/28/1022155228.db2.gz YKCAKRYFORTWSF-HNNXBMFYSA-N 2 1 330.394 3.891 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335422 1022155235 /nfs/dbraw/zinc/15/52/35/1022155235.db2.gz YKCAKRYFORTWSF-HNNXBMFYSA-N 2 1 330.394 3.891 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335422 1022155242 /nfs/dbraw/zinc/15/52/42/1022155242.db2.gz YKCAKRYFORTWSF-HNNXBMFYSA-N 2 1 330.394 3.891 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335422 1022155252 /nfs/dbraw/zinc/15/52/52/1022155252.db2.gz YKCAKRYFORTWSF-HNNXBMFYSA-N 2 1 330.394 3.891 20 0 EHADMP c1csc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)c1 ZINC000415038528 1022169289 /nfs/dbraw/zinc/16/92/89/1022169289.db2.gz HWYUJBFPBGKSJR-ZFWWWQNUSA-N 2 1 333.526 3.836 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)c1 ZINC000415038528 1022169296 /nfs/dbraw/zinc/16/92/96/1022169296.db2.gz HWYUJBFPBGKSJR-ZFWWWQNUSA-N 2 1 333.526 3.836 20 0 EHADMP [NH3+][C@H]1Cc2c3ccccc3n(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2C1 ZINC001167967099 1022176854 /nfs/dbraw/zinc/17/68/54/1022176854.db2.gz BHOWKXSAWVHCIT-XNHLSEOASA-N 2 1 335.495 3.645 20 0 EHADMP Cn1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc21 ZINC001167968763 1022270969 /nfs/dbraw/zinc/27/09/69/1022270969.db2.gz VDUQVDHWDBYKCA-IHWFROFDSA-N 2 1 337.511 3.716 20 0 EHADMP COc1ccccc1[C@H](CC(C)C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638723703 1022299078 /nfs/dbraw/zinc/29/90/78/1022299078.db2.gz VVBUSDNGFWFGSL-IBGZPJMESA-N 2 1 348.531 3.607 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415113254 1022300268 /nfs/dbraw/zinc/30/02/68/1022300268.db2.gz DUIYSOVNYUJLIB-XPQZIERPSA-N 3 1 329.532 3.668 20 0 EHADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@H+](C)C3CCCCC3)c(C)n2n1 ZINC000127452321 1022313303 /nfs/dbraw/zinc/31/33/03/1022313303.db2.gz HTLPFQHKPJNHES-INIZCTEOSA-N 2 1 343.519 3.651 20 0 EHADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@@H+](C)C3CCCCC3)c(C)n2n1 ZINC000127452321 1022313317 /nfs/dbraw/zinc/31/33/17/1022313317.db2.gz HTLPFQHKPJNHES-INIZCTEOSA-N 2 1 343.519 3.651 20 0 EHADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647978429 1022453960 /nfs/dbraw/zinc/45/39/60/1022453960.db2.gz RRJUKMCENUVVMQ-OLZOCXBDSA-N 2 1 347.450 3.682 20 0 EHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000125549327 1022650476 /nfs/dbraw/zinc/65/04/76/1022650476.db2.gz NDQZLRJVFRYMQZ-AWEZNQCLSA-N 2 1 333.357 3.704 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836078 1022689939 /nfs/dbraw/zinc/68/99/39/1022689939.db2.gz OAHCLIDPVXNRIP-FPOVZHCZSA-N 2 1 342.527 3.646 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)oc2c1 ZINC000426052535 1022782548 /nfs/dbraw/zinc/78/25/48/1022782548.db2.gz YKICMSRFVHKZFW-IPELMVKDSA-N 2 1 342.483 3.770 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426064598 1022813596 /nfs/dbraw/zinc/81/35/96/1022813596.db2.gz VGQBDIFBNWHQSF-HXUWFJFHSA-N 2 1 341.886 3.870 20 0 EHADMP COc1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)c1 ZINC001167982115 1022816483 /nfs/dbraw/zinc/81/64/83/1022816483.db2.gz XLDZKNAGISUFLO-SMLSOGCJSA-N 2 1 341.499 3.536 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH2+]1 ZINC000414946796 1022978173 /nfs/dbraw/zinc/97/81/73/1022978173.db2.gz KCZFYPWXCUTWIN-KBXCAEBGSA-N 2 1 345.874 3.544 20 0 EHADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441477952 1023117490 /nfs/dbraw/zinc/11/74/90/1023117490.db2.gz ZCKOYNANDFUUSM-FQEVSTJZSA-N 2 1 330.516 3.880 20 0 EHADMP CN1CCC([N@@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001168001705 1023297492 /nfs/dbraw/zinc/29/74/92/1023297492.db2.gz GJQIAPAPEUDLQL-CBQGHPETSA-N 2 1 345.575 3.731 20 0 EHADMP CN1CCC([NH+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168001705 1023297495 /nfs/dbraw/zinc/29/74/95/1023297495.db2.gz GJQIAPAPEUDLQL-CBQGHPETSA-N 2 1 345.575 3.731 20 0 EHADMP CN1CCC([NH+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001705 1023297502 /nfs/dbraw/zinc/29/75/02/1023297502.db2.gz GJQIAPAPEUDLQL-CBQGHPETSA-N 2 1 345.575 3.731 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000510976068 1023544824 /nfs/dbraw/zinc/54/48/24/1023544824.db2.gz LMOHWCVFRUCYEU-CQSZACIVSA-N 2 1 348.878 3.550 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000535684915 1023564342 /nfs/dbraw/zinc/56/43/42/1023564342.db2.gz CCGUQUMUCXFRMR-PKOBYXMFSA-N 2 1 336.907 3.544 20 0 EHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC12CCC2 ZINC000341911797 1023672122 /nfs/dbraw/zinc/67/21/22/1023672122.db2.gz VEHRYNDJLRDNAE-CTNGQTDRSA-N 2 1 342.527 3.790 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342102223 1023993655 /nfs/dbraw/zinc/99/36/55/1023993655.db2.gz LUULRKYWRNRYGT-CAMMJAKZSA-N 2 1 343.515 3.505 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342102223 1023993666 /nfs/dbraw/zinc/99/36/66/1023993666.db2.gz LUULRKYWRNRYGT-CAMMJAKZSA-N 2 1 343.515 3.505 20 0 EHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000522546428 1024055906 /nfs/dbraw/zinc/05/59/06/1024055906.db2.gz LXMPBZDKOUZBSL-XJKSGUPXSA-N 2 1 339.911 3.623 20 0 EHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647991311 1024123226 /nfs/dbraw/zinc/12/32/26/1024123226.db2.gz YUKVFINRSKMLAM-VOQZNFBZSA-N 2 1 336.479 3.835 20 0 EHADMP COc1cccc(Cl)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000514114365 1024148363 /nfs/dbraw/zinc/14/83/63/1024148363.db2.gz FWMICRFYXPVJCW-RDTXWAMCSA-N 2 1 334.891 3.797 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000514220937 1024231997 /nfs/dbraw/zinc/23/19/97/1024231997.db2.gz DDSDIFARDLUCDE-AVRDEDQJSA-N 2 1 337.511 3.753 20 0 EHADMP C[C@@H]1CC([NH2+]CCCCCCC[NH3+])C[C@@H](C)N1Cc1ccccc1 ZINC001168024249 1024318599 /nfs/dbraw/zinc/31/85/99/1024318599.db2.gz CUZMMQGVXMRKFA-RTBURBONSA-N 2 1 331.548 3.927 20 0 EHADMP CC[N@H+]1CCC[C@H]1CNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005895 1024376679 /nfs/dbraw/zinc/37/66/79/1024376679.db2.gz KTMIFNRMNNCBHQ-WFXMLNOXSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1C ZINC000414854531 1024440190 /nfs/dbraw/zinc/44/01/90/1024440190.db2.gz VDENIPADOVJKIV-KXBFYZLASA-N 2 1 331.504 3.518 20 0 EHADMP CCn1nc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000472047057 1024474733 /nfs/dbraw/zinc/47/47/33/1024474733.db2.gz DICAYCDMMLRIHE-KRWDZBQOSA-N 2 1 328.504 3.800 20 0 EHADMP CCCC[N@@H+](C)CCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168008219 1024568571 /nfs/dbraw/zinc/56/85/71/1024568571.db2.gz DEOWSPIXUDPCAT-RTBURBONSA-N 2 1 331.548 3.750 20 0 EHADMP COC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCC1 ZINC000435061219 1024588940 /nfs/dbraw/zinc/58/89/40/1024588940.db2.gz XPIVFFZHPLJNTO-UHFFFAOYSA-N 2 1 331.504 3.748 20 0 EHADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2Cl)CCO1 ZINC001204757542 1024614185 /nfs/dbraw/zinc/61/41/85/1024614185.db2.gz ZLJXHINEJUPJOS-MRXNPFEDSA-N 2 1 330.859 3.557 20 0 EHADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2Cl)CCO1 ZINC001204757542 1024614191 /nfs/dbraw/zinc/61/41/91/1024614191.db2.gz ZLJXHINEJUPJOS-MRXNPFEDSA-N 2 1 330.859 3.557 20 0 EHADMP FC(F)(F)c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC000262137929 1024633907 /nfs/dbraw/zinc/63/39/07/1024633907.db2.gz YXBIMMPOTIUVOS-UHFFFAOYSA-N 2 1 332.797 3.934 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000536498722 1024634476 /nfs/dbraw/zinc/63/44/76/1024634476.db2.gz UKGHLBRUUJDDPU-LJQANCHMSA-N 2 1 348.918 3.952 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000346356944 1024651500 /nfs/dbraw/zinc/65/15/00/1024651500.db2.gz ZFGPNIXNFSDUFF-INIZCTEOSA-N 2 1 334.261 3.791 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000346356944 1024651509 /nfs/dbraw/zinc/65/15/09/1024651509.db2.gz ZFGPNIXNFSDUFF-INIZCTEOSA-N 2 1 334.261 3.791 20 0 EHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138359 1024667489 /nfs/dbraw/zinc/66/74/89/1024667489.db2.gz YKKZXFKOLJPAFZ-NRFANRHFSA-N 2 1 337.467 3.710 20 0 EHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138359 1024667494 /nfs/dbraw/zinc/66/74/94/1024667494.db2.gz YKKZXFKOLJPAFZ-NRFANRHFSA-N 2 1 337.467 3.710 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138359 1024667498 /nfs/dbraw/zinc/66/74/98/1024667498.db2.gz YKKZXFKOLJPAFZ-NRFANRHFSA-N 2 1 337.467 3.710 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138359 1024667507 /nfs/dbraw/zinc/66/75/07/1024667507.db2.gz YKKZXFKOLJPAFZ-NRFANRHFSA-N 2 1 337.467 3.710 20 0 EHADMP CCCOc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OCCC)c1 ZINC000430127336 1024671131 /nfs/dbraw/zinc/67/11/31/1024671131.db2.gz PDGWORDTEUOLPZ-OAQYLSRUSA-N 2 1 346.515 3.792 20 0 EHADMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n(CC2CC2)n1 ZINC000657297143 1024694535 /nfs/dbraw/zinc/69/45/35/1024694535.db2.gz MMDTVRZDBMQKPM-UHFFFAOYSA-N 2 1 338.499 3.569 20 0 EHADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000657297997 1024706106 /nfs/dbraw/zinc/70/61/06/1024706106.db2.gz KLFWFDQONHZAMK-UHFFFAOYSA-N 2 1 340.515 3.986 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000514734637 1024707535 /nfs/dbraw/zinc/70/75/35/1024707535.db2.gz IZBXNPMTJYQPIA-CYBMUJFWSA-N 2 1 340.309 3.759 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000657297577 1024708469 /nfs/dbraw/zinc/70/84/69/1024708469.db2.gz OOXNQKGDDHVALZ-UHFFFAOYSA-N 2 1 326.488 3.569 20 0 EHADMP COCC[N@H+](Cc1ccc(C(F)F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000895692401 1024726444 /nfs/dbraw/zinc/72/64/44/1024726444.db2.gz QXXONDCVINXUPK-UHFFFAOYSA-N 2 1 344.421 3.554 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC4(COC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000895693757 1024730001 /nfs/dbraw/zinc/73/00/01/1024730001.db2.gz BTLBJUDNTSDSDR-FPOVZHCZSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC4(COC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000895693757 1024730012 /nfs/dbraw/zinc/73/00/12/1024730012.db2.gz BTLBJUDNTSDSDR-FPOVZHCZSA-N 2 1 340.511 3.903 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000346474877 1024760100 /nfs/dbraw/zinc/76/01/00/1024760100.db2.gz ARKLECWVWRRGJF-LBPRGKRZSA-N 2 1 342.270 3.898 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000346474877 1024760114 /nfs/dbraw/zinc/76/01/14/1024760114.db2.gz ARKLECWVWRRGJF-LBPRGKRZSA-N 2 1 342.270 3.898 20 0 EHADMP FC(F)(F)c1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958713 1024810182 /nfs/dbraw/zinc/81/01/82/1024810182.db2.gz JFDZLNCWWCVKCM-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP FC(F)(F)c1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958713 1024810208 /nfs/dbraw/zinc/81/02/08/1024810208.db2.gz JFDZLNCWWCVKCM-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000435380191 1024858727 /nfs/dbraw/zinc/85/87/27/1024858727.db2.gz PXCUSJMRMUFSDH-GDBMZVCRSA-N 2 1 346.496 3.505 20 0 EHADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000435386293 1024871080 /nfs/dbraw/zinc/87/10/80/1024871080.db2.gz UBUQMFNVDYOGGL-YOEHRIQHSA-N 2 1 345.512 3.590 20 0 EHADMP COc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425891 1024912549 /nfs/dbraw/zinc/91/25/49/1024912549.db2.gz FFTTZONLAKFSNS-LJQANCHMSA-N 2 1 342.508 3.901 20 0 EHADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435428072 1024916245 /nfs/dbraw/zinc/91/62/45/1024916245.db2.gz PYBQUHRIQMHIPI-QRQLOZEOSA-N 2 1 348.556 3.897 20 0 EHADMP CCc1cccc2cc(C[NH2+]CCCC[NH+]3CCN(CC)CC3)oc21 ZINC000657308461 1024920243 /nfs/dbraw/zinc/92/02/43/1024920243.db2.gz UASJYVKFTFUERU-UHFFFAOYSA-N 2 1 343.515 3.503 20 0 EHADMP Cc1nc(COc2ccc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cc2)cs1 ZINC000435435259 1024924996 /nfs/dbraw/zinc/92/49/96/1024924996.db2.gz ATFHYRRZWMJOIS-GOSISDBHSA-N 2 1 345.512 3.604 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000281402727 1025006889 /nfs/dbraw/zinc/00/68/89/1025006889.db2.gz PRRJNUWGHKTLEZ-QGZVFWFLSA-N 2 1 346.544 3.836 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000281402727 1025006901 /nfs/dbraw/zinc/00/69/01/1025006901.db2.gz PRRJNUWGHKTLEZ-QGZVFWFLSA-N 2 1 346.544 3.836 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000474479155 1025018194 /nfs/dbraw/zinc/01/81/94/1025018194.db2.gz QOVILOJOQZNYIT-PGYGNJIDSA-N 2 1 338.536 3.600 20 0 EHADMP Cc1cc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000428219336 1025053721 /nfs/dbraw/zinc/05/37/21/1025053721.db2.gz OSQFEHJTFUBOEB-CEWLAPEOSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000428219336 1025053738 /nfs/dbraw/zinc/05/37/38/1025053738.db2.gz OSQFEHJTFUBOEB-CEWLAPEOSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000428219336 1025053751 /nfs/dbraw/zinc/05/37/51/1025053751.db2.gz OSQFEHJTFUBOEB-CEWLAPEOSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cccc(C)c1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435683305 1025066006 /nfs/dbraw/zinc/06/60/06/1025066006.db2.gz HVPXYSBJMAVGLD-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1cccc(C)c1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435683305 1025066015 /nfs/dbraw/zinc/06/60/15/1025066015.db2.gz HVPXYSBJMAVGLD-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)CC1 ZINC000366887800 1025105468 /nfs/dbraw/zinc/10/54/68/1025105468.db2.gz TXERRCZRHSGHQX-UHFFFAOYSA-N 2 1 342.512 3.513 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)CC1 ZINC000366887800 1025105474 /nfs/dbraw/zinc/10/54/74/1025105474.db2.gz TXERRCZRHSGHQX-UHFFFAOYSA-N 2 1 342.512 3.513 20 0 EHADMP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000657324019 1025160099 /nfs/dbraw/zinc/16/00/99/1025160099.db2.gz LPESHHNJAWGUNT-UHFFFAOYSA-N 2 1 326.488 3.772 20 0 EHADMP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000657324019 1025160104 /nfs/dbraw/zinc/16/01/04/1025160104.db2.gz LPESHHNJAWGUNT-UHFFFAOYSA-N 2 1 326.488 3.772 20 0 EHADMP C[C@@H]1CC([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168037371 1025174119 /nfs/dbraw/zinc/17/41/19/1025174119.db2.gz XUUQCDLMHIQPSK-RMEPHLEKSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@](O)(CF)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039925 1025267721 /nfs/dbraw/zinc/26/77/21/1025267721.db2.gz IRRSMTAGFVKNFY-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(CF)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039925 1025267730 /nfs/dbraw/zinc/26/77/30/1025267730.db2.gz IRRSMTAGFVKNFY-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(CF)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039925 1025267736 /nfs/dbraw/zinc/26/77/36/1025267736.db2.gz IRRSMTAGFVKNFY-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000453329841 1025350115 /nfs/dbraw/zinc/35/01/15/1025350115.db2.gz WKRLGTMQTYPQHN-FDFHNCONSA-N 2 1 338.495 3.973 20 0 EHADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000453329841 1025350126 /nfs/dbraw/zinc/35/01/26/1025350126.db2.gz WKRLGTMQTYPQHN-FDFHNCONSA-N 2 1 338.495 3.973 20 0 EHADMP C[C@H]1CC([N@@H+](C)CCc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041214 1025381009 /nfs/dbraw/zinc/38/10/09/1025381009.db2.gz QZJWRLDDPDYSNC-OALUTQOASA-N 2 1 337.511 3.998 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ncccc1Cl ZINC000530219892 1025492219 /nfs/dbraw/zinc/49/22/19/1025492219.db2.gz RZBBLHZCUMGHKO-PXNSSMCTSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ncccc1Cl ZINC000530219892 1025492228 /nfs/dbraw/zinc/49/22/28/1025492228.db2.gz RZBBLHZCUMGHKO-PXNSSMCTSA-N 2 1 343.902 3.907 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436246180 1025494589 /nfs/dbraw/zinc/49/45/89/1025494589.db2.gz YAKKMCBCPNBTSM-NPDDRXJXSA-N 2 1 344.543 3.877 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1(C)C ZINC000442860141 1025532800 /nfs/dbraw/zinc/53/28/00/1025532800.db2.gz BGCQACSLXBFCBR-FQEVSTJZSA-N 2 1 347.522 3.673 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000657364448 1025545977 /nfs/dbraw/zinc/54/59/77/1025545977.db2.gz VQPCGMUICGTJNM-CRAIPNDOSA-N 2 1 347.528 3.523 20 0 EHADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)OC)C2 ZINC001280154346 1025576669 /nfs/dbraw/zinc/57/66/69/1025576669.db2.gz VWYJNBWYEBWCFY-UYAOXDASSA-N 2 1 338.536 3.554 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)OC)C2 ZINC001280154346 1025576686 /nfs/dbraw/zinc/57/66/86/1025576686.db2.gz VWYJNBWYEBWCFY-UYAOXDASSA-N 2 1 338.536 3.554 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)OC)C2 ZINC001280154346 1025576690 /nfs/dbraw/zinc/57/66/90/1025576690.db2.gz VWYJNBWYEBWCFY-UYAOXDASSA-N 2 1 338.536 3.554 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)OC)C2 ZINC001280154346 1025576693 /nfs/dbraw/zinc/57/66/93/1025576693.db2.gz VWYJNBWYEBWCFY-UYAOXDASSA-N 2 1 338.536 3.554 20 0 EHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442918129 1025582890 /nfs/dbraw/zinc/58/28/90/1025582890.db2.gz FXOYPWKLDMAWPE-KRWDZBQOSA-N 2 1 340.515 3.731 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014913 1025635784 /nfs/dbraw/zinc/63/57/84/1025635784.db2.gz NHHLZVKFSRCOBF-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014913 1025635788 /nfs/dbraw/zinc/63/57/88/1025635788.db2.gz NHHLZVKFSRCOBF-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014913 1025635793 /nfs/dbraw/zinc/63/57/93/1025635793.db2.gz NHHLZVKFSRCOBF-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)CC1 ZINC001143444022 1025716877 /nfs/dbraw/zinc/71/68/77/1025716877.db2.gz XDPXXKLFUZTUES-UHFFFAOYSA-N 2 1 346.368 3.642 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000121772785 1025764848 /nfs/dbraw/zinc/76/48/48/1025764848.db2.gz FLAXXBHLJVTVLB-UHFFFAOYSA-N 2 1 339.483 3.588 20 0 EHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530411877 1025783614 /nfs/dbraw/zinc/78/36/14/1025783614.db2.gz YYIKINDOQVGNOK-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530411877 1025783637 /nfs/dbraw/zinc/78/36/37/1025783637.db2.gz YYIKINDOQVGNOK-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530411877 1025783655 /nfs/dbraw/zinc/78/36/55/1025783655.db2.gz YYIKINDOQVGNOK-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000347286648 1025813648 /nfs/dbraw/zinc/81/36/48/1025813648.db2.gz GLLAFDTUAHBMFX-RISCZKNCSA-N 2 1 343.334 3.916 20 0 EHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000474939643 1025900322 /nfs/dbraw/zinc/90/03/22/1025900322.db2.gz BGSSNRGKOJORSV-QMMLZNLJSA-N 2 1 330.516 3.558 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655691096 1026009073 /nfs/dbraw/zinc/00/90/73/1026009073.db2.gz PFEJLCPOOWDIAQ-FXAWDEMLSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655691096 1026009091 /nfs/dbraw/zinc/00/90/91/1026009091.db2.gz PFEJLCPOOWDIAQ-FXAWDEMLSA-N 2 1 338.499 3.882 20 0 EHADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccccc1 ZINC000103229083 1026060894 /nfs/dbraw/zinc/06/08/94/1026060894.db2.gz WZZNHQHXEHEZTK-LJQANCHMSA-N 2 1 343.515 3.603 20 0 EHADMP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000780533446 1026088774 /nfs/dbraw/zinc/08/87/74/1026088774.db2.gz RUTLLVWBPPYYRC-NRSPTQNISA-N 2 1 328.500 3.556 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562012 1026112392 /nfs/dbraw/zinc/11/23/92/1026112392.db2.gz CFDWWBFGFXQJOB-DOTOQJQBSA-N 2 1 337.305 3.723 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562012 1026112407 /nfs/dbraw/zinc/11/24/07/1026112407.db2.gz CFDWWBFGFXQJOB-DOTOQJQBSA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562012 1026112412 /nfs/dbraw/zinc/11/24/12/1026112412.db2.gz CFDWWBFGFXQJOB-DOTOQJQBSA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562012 1026112422 /nfs/dbraw/zinc/11/24/22/1026112422.db2.gz CFDWWBFGFXQJOB-DOTOQJQBSA-N 2 1 337.305 3.723 20 0 EHADMP CN(c1ccccc1C[N@@H+](CC1CC1)C1CCC1)C1CC[NH+](C)CC1 ZINC000475671529 1026193173 /nfs/dbraw/zinc/19/31/73/1026193173.db2.gz JHAIDWPBQDFTEE-UHFFFAOYSA-N 2 1 341.543 3.982 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475125283 1026220766 /nfs/dbraw/zinc/22/07/66/1026220766.db2.gz PZDDBANTDBAYPU-UHFFFAOYSA-N 2 1 346.515 3.934 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000582449547 1026289663 /nfs/dbraw/zinc/28/96/63/1026289663.db2.gz HDZPOOVHSJQKMA-HSALFYBXSA-N 2 1 330.516 3.549 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccn1 ZINC000159014786 1026453768 /nfs/dbraw/zinc/45/37/68/1026453768.db2.gz YHXOLZXMRRKOLN-KSZLIROESA-N 2 1 338.499 3.805 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccn1 ZINC000159014786 1026453771 /nfs/dbraw/zinc/45/37/71/1026453771.db2.gz YHXOLZXMRRKOLN-KSZLIROESA-N 2 1 338.499 3.805 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4=Cc5ccccc5OC4)C[C@@H]3C2)cc1 ZINC000475348586 1026498764 /nfs/dbraw/zinc/49/87/64/1026498764.db2.gz DVRVZAMVFBTANK-SZPZYZBQSA-N 2 1 346.474 3.526 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4=Cc5ccccc5OC4)C[C@@H]3C2)cc1 ZINC000475348586 1026498769 /nfs/dbraw/zinc/49/87/69/1026498769.db2.gz DVRVZAMVFBTANK-SZPZYZBQSA-N 2 1 346.474 3.526 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4=Cc5ccccc5OC4)C[C@@H]3C2)cc1 ZINC000475348586 1026498774 /nfs/dbraw/zinc/49/87/74/1026498774.db2.gz DVRVZAMVFBTANK-SZPZYZBQSA-N 2 1 346.474 3.526 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4=Cc5ccccc5OC4)C[C@@H]3C2)cc1 ZINC000475348586 1026498779 /nfs/dbraw/zinc/49/87/79/1026498779.db2.gz DVRVZAMVFBTANK-SZPZYZBQSA-N 2 1 346.474 3.526 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@@]3(C2)CCCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062155 1026520690 /nfs/dbraw/zinc/52/06/90/1026520690.db2.gz JCNFAALIKSXLEM-WOIUINJBSA-N 2 1 342.527 3.931 20 0 EHADMP CC[NH+](CC)[C@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065286 1026640219 /nfs/dbraw/zinc/64/02/19/1026640219.db2.gz VJWVYBNIBULAMM-MXNKGDRCSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935573 1026648201 /nfs/dbraw/zinc/64/82/01/1026648201.db2.gz GJNYYHHOSINVDF-XLIONFOSSA-N 2 1 326.459 3.868 20 0 EHADMP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c2ccc(Br)cc21 ZINC000301213959 1026726686 /nfs/dbraw/zinc/72/66/86/1026726686.db2.gz WREXBDJWPZVYSE-UHFFFAOYSA-N 2 1 348.288 3.775 20 0 EHADMP Cc1nccn1-c1ccc(CN[C@H]2CCCc3cccnc32)cc1F ZINC000684954392 1026840432 /nfs/dbraw/zinc/84/04/32/1026840432.db2.gz BYVJGOSKQVVEAD-SFHVURJKSA-N 2 1 336.414 3.882 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCOc2cc(Cl)ccc2Cl)CC1 ZINC000531382196 1026868219 /nfs/dbraw/zinc/86/82/19/1026868219.db2.gz TWRRASDGGOUITG-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCOc2cc(Cl)ccc2Cl)CC1 ZINC000531382196 1026868229 /nfs/dbraw/zinc/86/82/29/1026868229.db2.gz TWRRASDGGOUITG-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP COc1ccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193507008 1026887360 /nfs/dbraw/zinc/88/73/60/1026887360.db2.gz FIMKYVAITIKSEE-JTSKRJEESA-N 2 1 336.479 3.859 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193507008 1026887369 /nfs/dbraw/zinc/88/73/69/1026887369.db2.gz FIMKYVAITIKSEE-JTSKRJEESA-N 2 1 336.479 3.859 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193507008 1026887380 /nfs/dbraw/zinc/88/73/80/1026887380.db2.gz FIMKYVAITIKSEE-JTSKRJEESA-N 2 1 336.479 3.859 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000342734687 1026890905 /nfs/dbraw/zinc/89/09/05/1026890905.db2.gz OBEGQTUUGRMETQ-QPAVJXABSA-N 2 1 327.472 3.618 20 0 EHADMP CO[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001168066485 1026900762 /nfs/dbraw/zinc/90/07/62/1026900762.db2.gz OXKDGWNFPALLLB-NEYJZJCJSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001168066485 1026900769 /nfs/dbraw/zinc/90/07/69/1026900769.db2.gz OXKDGWNFPALLLB-NEYJZJCJSA-N 2 1 330.516 3.927 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N(C)C)cc[nH+]1 ZINC000301748162 1026925192 /nfs/dbraw/zinc/92/51/92/1026925192.db2.gz ZVFHLLNRDPKLRN-INIZCTEOSA-N 2 1 339.487 3.529 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N(C)C)cc[nH+]1 ZINC000301748162 1026925199 /nfs/dbraw/zinc/92/51/99/1026925199.db2.gz ZVFHLLNRDPKLRN-INIZCTEOSA-N 2 1 339.487 3.529 20 0 EHADMP COC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657528640 1026989464 /nfs/dbraw/zinc/98/94/64/1026989464.db2.gz HBVHAXQMCBBNJA-GPJFCIFZSA-N 2 1 328.500 3.588 20 0 EHADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657528640 1026989471 /nfs/dbraw/zinc/98/94/71/1026989471.db2.gz HBVHAXQMCBBNJA-GPJFCIFZSA-N 2 1 328.500 3.588 20 0 EHADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)[NH+]1CCN(CC)CC1 ZINC000302051375 1027036490 /nfs/dbraw/zinc/03/64/90/1027036490.db2.gz OTSUJSNIROGMQU-INIZCTEOSA-N 2 1 340.515 3.544 20 0 EHADMP Cc1[nH+]c2ccccc2c(N2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000302070824 1027043061 /nfs/dbraw/zinc/04/30/61/1027043061.db2.gz GRIZRIUARFSSOG-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000305890568 1027045039 /nfs/dbraw/zinc/04/50/39/1027045039.db2.gz VHPMDVJYDXFZLQ-UHFFFAOYSA-N 2 1 345.874 3.520 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700560 1027221940 /nfs/dbraw/zinc/22/19/40/1027221940.db2.gz NLWQQJOLAHPCNJ-IEBWSBKVSA-N 2 1 340.467 3.586 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657562134 1027296646 /nfs/dbraw/zinc/29/66/46/1027296646.db2.gz NWNDTVNBXNHCAD-IOMROCGXSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657562134 1027296656 /nfs/dbraw/zinc/29/66/56/1027296656.db2.gz NWNDTVNBXNHCAD-IOMROCGXSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561707 1027303209 /nfs/dbraw/zinc/30/32/09/1027303209.db2.gz KNGIVBVCXPSZKV-SFTDATJTSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561707 1027303226 /nfs/dbraw/zinc/30/32/26/1027303226.db2.gz KNGIVBVCXPSZKV-SFTDATJTSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420285057 1027443156 /nfs/dbraw/zinc/44/31/56/1027443156.db2.gz DPINMUJEAMACLL-UHFFFAOYSA-N 2 1 332.879 3.522 20 0 EHADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420285057 1027443165 /nfs/dbraw/zinc/44/31/65/1027443165.db2.gz DPINMUJEAMACLL-UHFFFAOYSA-N 2 1 332.879 3.522 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000453138467 1027444729 /nfs/dbraw/zinc/44/47/29/1027444729.db2.gz JNJQEQUBYMKZSV-NJYVYQBISA-N 2 1 339.458 3.754 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000453138467 1027444735 /nfs/dbraw/zinc/44/47/35/1027444735.db2.gz JNJQEQUBYMKZSV-NJYVYQBISA-N 2 1 339.458 3.754 20 0 EHADMP CCC[N@H+](Cc1c2ccccc2sc1C(=O)OC)C1CC[NH2+]CC1 ZINC000420317760 1027464490 /nfs/dbraw/zinc/46/44/90/1027464490.db2.gz NFBBTYIGWMQZLB-UHFFFAOYSA-N 2 1 346.496 3.652 20 0 EHADMP CCC[N@@H+](Cc1c2ccccc2sc1C(=O)OC)C1CC[NH2+]CC1 ZINC000420317760 1027464499 /nfs/dbraw/zinc/46/44/99/1027464499.db2.gz NFBBTYIGWMQZLB-UHFFFAOYSA-N 2 1 346.496 3.652 20 0 EHADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000420318246 1027468006 /nfs/dbraw/zinc/46/80/06/1027468006.db2.gz OEPCVZQWGCLTKM-CQSZACIVSA-N 2 1 325.294 3.659 20 0 EHADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420322204 1027470021 /nfs/dbraw/zinc/47/00/21/1027470021.db2.gz SIAGGDKUKYNEPE-KXBFYZLASA-N 2 1 344.890 3.541 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000420322107 1027470893 /nfs/dbraw/zinc/47/08/93/1027470893.db2.gz RXEKEHTXBLHGLE-UYAOXDASSA-N 2 1 342.508 3.528 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420395845 1027511872 /nfs/dbraw/zinc/51/18/72/1027511872.db2.gz DRMGAMHZQOPEOW-XJKSGUPXSA-N 2 1 344.890 3.522 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420400534 1027520881 /nfs/dbraw/zinc/52/08/81/1027520881.db2.gz OUBURVDFFUPRKX-IEBWSBKVSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420400534 1027520890 /nfs/dbraw/zinc/52/08/90/1027520890.db2.gz OUBURVDFFUPRKX-IEBWSBKVSA-N 2 1 325.456 3.614 20 0 EHADMP CCCn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000130906211 1027714884 /nfs/dbraw/zinc/71/48/84/1027714884.db2.gz UKRUFRRTWHZDKJ-UHFFFAOYSA-N 2 1 340.515 3.637 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656449 1027722616 /nfs/dbraw/zinc/72/26/16/1027722616.db2.gz FTOOBZIHJKWFRG-UKRRQHHQSA-N 2 1 332.394 3.926 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414662342 1027746637 /nfs/dbraw/zinc/74/66/37/1027746637.db2.gz PXZLSMRBDDCRDZ-BAZGULGGSA-N 2 1 336.479 3.948 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414680089 1027847562 /nfs/dbraw/zinc/84/75/62/1027847562.db2.gz XZUPVNCPIGVCNS-KRWDZBQOSA-N 2 1 344.886 3.960 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414680089 1027847576 /nfs/dbraw/zinc/84/75/76/1027847576.db2.gz XZUPVNCPIGVCNS-KRWDZBQOSA-N 2 1 344.886 3.960 20 0 EHADMP Cc1c([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000339067687 1027895735 /nfs/dbraw/zinc/89/57/35/1027895735.db2.gz KMNHADSFWCNRHN-YJLNNSPDSA-N 2 1 342.462 3.597 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000339067687 1027895756 /nfs/dbraw/zinc/89/57/56/1027895756.db2.gz KMNHADSFWCNRHN-YJLNNSPDSA-N 2 1 342.462 3.597 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000339067687 1027895779 /nfs/dbraw/zinc/89/57/79/1027895779.db2.gz KMNHADSFWCNRHN-YJLNNSPDSA-N 2 1 342.462 3.597 20 0 EHADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727927 1027897380 /nfs/dbraw/zinc/89/73/80/1027897380.db2.gz DUJGASHXUDCBLC-MANSERQUSA-N 2 1 347.572 3.785 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000422761235 1027901292 /nfs/dbraw/zinc/90/12/92/1027901292.db2.gz QWYHPXIAIQXWGK-KRWDZBQOSA-N 2 1 344.547 3.688 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422747572 1027914734 /nfs/dbraw/zinc/91/47/34/1027914734.db2.gz QMJKJCRZBMSFAJ-GMVOTWDCSA-N 2 1 344.405 3.871 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000422748313 1027916413 /nfs/dbraw/zinc/91/64/13/1027916413.db2.gz UAFHOUHXLKPUNF-AUUYWEPGSA-N 2 1 346.906 3.881 20 0 EHADMP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422787836 1027941859 /nfs/dbraw/zinc/94/18/59/1027941859.db2.gz QOGFVPUURHVYNG-MDASCCDHSA-N 2 1 332.875 3.576 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422810865 1027959466 /nfs/dbraw/zinc/95/94/66/1027959466.db2.gz OCNLUVRZRIOHAH-QLFBSQMISA-N 2 1 344.833 3.952 20 0 EHADMP C[N@H+](Cc1cc(Br)ccc1Cl)CC1CC[NH+](C)CC1 ZINC000513736885 1027988281 /nfs/dbraw/zinc/98/82/81/1027988281.db2.gz NYNFNOVDEQUDRG-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414694959 1027966292 /nfs/dbraw/zinc/96/62/92/1027966292.db2.gz OJBGRXWRAZJBGX-GJYPPUQNSA-N 2 1 326.488 3.581 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825131 1027969043 /nfs/dbraw/zinc/96/90/43/1027969043.db2.gz JAPNEPXHVLXADT-YSFYHYPLSA-N 2 1 341.543 3.642 20 0 EHADMP N[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830622 1027973707 /nfs/dbraw/zinc/97/37/07/1027973707.db2.gz RFYRQXFSLLLVRM-PMACEKPBSA-N 2 1 341.524 3.695 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422853566 1027989737 /nfs/dbraw/zinc/98/97/37/1027989737.db2.gz ZFAIQCAQPSELSS-KNQAVFIVSA-N 2 1 343.559 3.594 20 0 EHADMP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000459366516 1027998682 /nfs/dbraw/zinc/99/86/82/1027998682.db2.gz AYVWAYYAACVPFR-UHFFFAOYSA-N 2 1 336.483 3.630 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422867378 1028003018 /nfs/dbraw/zinc/00/30/18/1028003018.db2.gz SBHLEXWLCFMJRZ-KKXDTOCCSA-N 2 1 326.440 3.808 20 0 EHADMP CC[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422880592 1028012022 /nfs/dbraw/zinc/01/20/22/1028012022.db2.gz WYUDERZHQAMCNN-HNAYVOBHSA-N 2 1 325.456 3.555 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc2ccccc21 ZINC000422935201 1028065485 /nfs/dbraw/zinc/06/54/85/1028065485.db2.gz DIVBKZCOGITARZ-UWJYYQICSA-N 2 1 334.463 3.767 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422940350 1028067801 /nfs/dbraw/zinc/06/78/01/1028067801.db2.gz NBDGDEODBBIZEO-MORSLUCNSA-N 2 1 326.440 3.889 20 0 EHADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422971971 1028102236 /nfs/dbraw/zinc/10/22/36/1028102236.db2.gz ZGRFJIVTWGAFQE-DZVQBONVSA-N 2 1 343.559 3.578 20 0 EHADMP Cc1ccc2c(CC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])cn(C)c2c1 ZINC000423059323 1028154079 /nfs/dbraw/zinc/15/40/79/1028154079.db2.gz LPQGOEFURVSRBD-UWJYYQICSA-N 2 1 335.495 3.577 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134878845 1028154326 /nfs/dbraw/zinc/15/43/26/1028154326.db2.gz BGWMSBULASUIIG-UZLBHIALSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134878845 1028154344 /nfs/dbraw/zinc/15/43/44/1028154344.db2.gz BGWMSBULASUIIG-UZLBHIALSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134878845 1028154355 /nfs/dbraw/zinc/15/43/55/1028154355.db2.gz BGWMSBULASUIIG-UZLBHIALSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134878845 1028154365 /nfs/dbraw/zinc/15/43/65/1028154365.db2.gz BGWMSBULASUIIG-UZLBHIALSA-N 2 1 339.458 3.823 20 0 EHADMP Cc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1Br ZINC000423073221 1028161727 /nfs/dbraw/zinc/16/17/27/1028161727.db2.gz QZNZUJVFUFJECP-GFCCVEGCSA-N 2 1 348.288 3.770 20 0 EHADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423076178 1028163478 /nfs/dbraw/zinc/16/34/78/1028163478.db2.gz YILNZWITKIKUNS-HYVNUMGLSA-N 2 1 328.456 3.842 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1SC(F)F ZINC000161513960 1028165596 /nfs/dbraw/zinc/16/55/96/1028165596.db2.gz VWUQDIMZLSHYMJ-LLVKDONJSA-N 2 1 330.444 3.755 20 0 EHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116305 1028184783 /nfs/dbraw/zinc/18/47/83/1028184783.db2.gz PHSLWUIDWYBHFY-QVKFZJNVSA-N 2 1 339.458 3.788 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143056 1028228754 /nfs/dbraw/zinc/22/87/54/1028228754.db2.gz WFYJESNLFMYGAF-PWRODBHTSA-N 2 1 329.532 3.538 20 0 EHADMP Cc1nc(C(C)C)sc1[C@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423185123 1028231747 /nfs/dbraw/zinc/23/17/47/1028231747.db2.gz JEOCSPZMYVRACN-AWEZNQCLSA-N 2 1 332.517 3.800 20 0 EHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423185123 1028231765 /nfs/dbraw/zinc/23/17/65/1028231765.db2.gz JEOCSPZMYVRACN-AWEZNQCLSA-N 2 1 332.517 3.800 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCCCC1 ZINC000423180412 1028249515 /nfs/dbraw/zinc/24/95/15/1028249515.db2.gz NOXRSCONSFMATC-LLVKDONJSA-N 2 1 329.307 3.749 20 0 EHADMP FC(F)Oc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423209262 1028252153 /nfs/dbraw/zinc/25/21/53/1028252153.db2.gz IRURUFLNIOYUCC-KXBFYZLASA-N 2 1 346.421 3.967 20 0 EHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423198865 1028266928 /nfs/dbraw/zinc/26/69/28/1028266928.db2.gz IJBPCSBAQILJIJ-KRWDZBQOSA-N 2 1 326.488 3.634 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423205196 1028273083 /nfs/dbraw/zinc/27/30/83/1028273083.db2.gz BDKMASILHRUHTL-SDDRHHMPSA-N 2 1 332.822 3.980 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000246356418 1028276613 /nfs/dbraw/zinc/27/66/13/1028276613.db2.gz ICHDLVZHJNJENV-MOPGFXCFSA-N 3 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000246356418 1028276633 /nfs/dbraw/zinc/27/66/33/1028276633.db2.gz ICHDLVZHJNJENV-MOPGFXCFSA-N 3 1 340.515 3.891 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s2)cc1 ZINC000423264517 1028300945 /nfs/dbraw/zinc/30/09/45/1028300945.db2.gz CCXZYGCCMFUOHB-WBMJQRKESA-N 2 1 333.501 3.761 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423258318 1028317389 /nfs/dbraw/zinc/31/73/89/1028317389.db2.gz BHMWUBDYKUCANC-KXBFYZLASA-N 2 1 346.519 3.775 20 0 EHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423258814 1028319081 /nfs/dbraw/zinc/31/90/81/1028319081.db2.gz CNCHNVQBSKGDHT-IFXJQAMLSA-N 2 1 344.503 3.529 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423289566 1028329304 /nfs/dbraw/zinc/32/93/04/1028329304.db2.gz XPKZSSVSIGAFDB-RNCFNFMXSA-N 2 1 329.307 3.559 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421378776 1028337023 /nfs/dbraw/zinc/33/70/23/1028337023.db2.gz TUHWQOQFYXAKPN-PWRODBHTSA-N 2 1 342.527 3.572 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000423321264 1028351682 /nfs/dbraw/zinc/35/16/82/1028351682.db2.gz FGJBDAKOPFIGMX-JQFCIGGWSA-N 2 1 344.421 3.851 20 0 EHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H](C)[NH3+] ZINC000423324059 1028360697 /nfs/dbraw/zinc/36/06/97/1028360697.db2.gz HVHRUTLTLWHPMC-FCEWJHQRSA-N 2 1 331.504 3.619 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000237131750 1028430226 /nfs/dbraw/zinc/43/02/26/1028430226.db2.gz BXZUREXIFPIPGF-HXUWFJFHSA-N 2 1 346.540 3.703 20 0 EHADMP Clc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423445145 1028435487 /nfs/dbraw/zinc/43/54/87/1028435487.db2.gz XNVZSROFZBCNAI-KNCOVGOOSA-N 2 1 345.899 3.648 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423533950 1028487350 /nfs/dbraw/zinc/48/73/50/1028487350.db2.gz UVNITFPSPFFHGH-MLGOLLRUSA-N 2 1 330.501 3.682 20 0 EHADMP CCc1ccc([C@@H](CC)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423510236 1028487690 /nfs/dbraw/zinc/48/76/90/1028487690.db2.gz MJOJKSOEZHSWSJ-XVAXZDLZSA-N 2 1 329.532 3.506 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc2c1 ZINC000423517332 1028493995 /nfs/dbraw/zinc/49/39/95/1028493995.db2.gz XYVZGPKJUREGQA-IVMQYODDSA-N 2 1 341.499 3.608 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)CCn3ccnc3C(C)C)c2C1 ZINC000073308793 1028548794 /nfs/dbraw/zinc/54/87/94/1028548794.db2.gz KAZOZHHXHLJUOM-UHFFFAOYSA-N 2 1 340.471 3.761 20 0 EHADMP CCN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000502695463 1028563916 /nfs/dbraw/zinc/56/39/16/1028563916.db2.gz XCRRLIOMYKQMND-HLAWJBBLSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000502695463 1028563925 /nfs/dbraw/zinc/56/39/25/1028563925.db2.gz XCRRLIOMYKQMND-HLAWJBBLSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000502695463 1028563935 /nfs/dbraw/zinc/56/39/35/1028563935.db2.gz XCRRLIOMYKQMND-HLAWJBBLSA-N 2 1 329.532 3.628 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1C ZINC000502696886 1028567106 /nfs/dbraw/zinc/56/71/06/1028567106.db2.gz MHFPOOBNRUKWBS-GOSISDBHSA-N 2 1 340.515 3.955 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)C ZINC000195136092 1028584263 /nfs/dbraw/zinc/58/42/63/1028584263.db2.gz MKRAVDUAGXPTEF-XLIONFOSSA-N 2 1 340.515 3.945 20 0 EHADMP COc1ccc(CCC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000502715473 1028591840 /nfs/dbraw/zinc/59/18/40/1028591840.db2.gz JJZITLRRNNYREU-HXUWFJFHSA-N 2 1 330.516 3.824 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000583033277 1028607631 /nfs/dbraw/zinc/60/76/31/1028607631.db2.gz BGCWIJACVKFWJL-WOJBJXKFSA-N 2 1 330.516 3.539 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000349818211 1028639154 /nfs/dbraw/zinc/63/91/54/1028639154.db2.gz HWBCSLFKDRXBRI-UHFFFAOYSA-N 2 1 326.431 3.635 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000349818211 1028639164 /nfs/dbraw/zinc/63/91/64/1028639164.db2.gz HWBCSLFKDRXBRI-UHFFFAOYSA-N 2 1 326.431 3.635 20 0 EHADMP CCN(C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CCCCC1 ZINC000523854335 1028661547 /nfs/dbraw/zinc/66/15/47/1028661547.db2.gz FZWGNRZBVUVGGB-SJLPKXTDSA-N 2 1 339.568 3.512 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000246812782 1028696728 /nfs/dbraw/zinc/69/67/28/1028696728.db2.gz ARERRINFQMYNNK-QZTJIDSGSA-N 2 1 340.515 3.986 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771665 1028764800 /nfs/dbraw/zinc/76/48/00/1028764800.db2.gz AFKRSTSLVKACBI-OLZOCXBDSA-N 2 1 344.833 3.763 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000247253487 1028766198 /nfs/dbraw/zinc/76/61/98/1028766198.db2.gz ZVIOQHIDXAIPCR-SEPYTNNBSA-N 2 1 336.545 3.587 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000421828639 1028818029 /nfs/dbraw/zinc/81/80/29/1028818029.db2.gz DQMXWANKAIKEIF-HBFSDRIKSA-N 2 1 330.516 3.977 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000421828639 1028818042 /nfs/dbraw/zinc/81/80/42/1028818042.db2.gz DQMXWANKAIKEIF-HBFSDRIKSA-N 2 1 330.516 3.977 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)s2)c1 ZINC000414775753 1028833285 /nfs/dbraw/zinc/83/32/85/1028833285.db2.gz GQOXALJODOSSEF-UONOGXRCSA-N 2 1 333.526 3.693 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000421863336 1028856831 /nfs/dbraw/zinc/85/68/31/1028856831.db2.gz WKLMSEDJYMLSNM-ALGQRKQJSA-N 2 1 328.500 3.729 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC12CCOCC2 ZINC000414777435 1028885869 /nfs/dbraw/zinc/88/58/69/1028885869.db2.gz FNDPYVSZZAWANQ-OAQYLSRUSA-N 2 1 336.479 3.541 20 0 EHADMP CCc1csc([C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275982 1028946594 /nfs/dbraw/zinc/94/65/94/1028946594.db2.gz BKGFOQUGHRPXDQ-HZPDHXFCSA-N 2 1 347.503 3.767 20 0 EHADMP Cc1csc([C@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277304 1028950604 /nfs/dbraw/zinc/95/06/04/1028950604.db2.gz BYNPEIAFUIXEQW-HOTGVXAUSA-N 2 1 333.476 3.513 20 0 EHADMP CS[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000445607313 1028972046 /nfs/dbraw/zinc/97/20/46/1028972046.db2.gz GEVSNECFYDLRMD-ROUUACIJSA-N 2 1 347.915 3.904 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1cccc(Cl)c1 ZINC000424372582 1029035197 /nfs/dbraw/zinc/03/51/97/1029035197.db2.gz IDOCORJHIJJFQX-NXOUGTEYSA-N 2 1 332.879 3.755 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)s2)cc1 ZINC000414785082 1029043360 /nfs/dbraw/zinc/04/33/60/1029043360.db2.gz SDLIPAQJEDKKEB-QZTJIDSGSA-N 2 1 341.524 3.940 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OC1CCCC1 ZINC000459385734 1029152024 /nfs/dbraw/zinc/15/20/24/1029152024.db2.gz AESPRFJNFILVTB-OAHLLOKOSA-N 2 1 343.471 3.643 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000583198030 1029201544 /nfs/dbraw/zinc/20/15/44/1029201544.db2.gz DBZSTDBBEONLHR-MOPGFXCFSA-N 2 1 329.488 3.565 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(C)c2)[C@@H](C)C1 ZINC000245767293 1029265945 /nfs/dbraw/zinc/26/59/45/1029265945.db2.gz RANUWUBOTXBMLR-LPHOPBHVSA-N 2 1 326.488 3.547 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272333966 1029422107 /nfs/dbraw/zinc/42/21/07/1029422107.db2.gz NEQMHZUKXZSCJM-GCJKJVERSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272333966 1029422116 /nfs/dbraw/zinc/42/21/16/1029422116.db2.gz NEQMHZUKXZSCJM-GCJKJVERSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333966 1029422128 /nfs/dbraw/zinc/42/21/28/1029422128.db2.gz NEQMHZUKXZSCJM-GCJKJVERSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333966 1029422149 /nfs/dbraw/zinc/42/21/49/1029422149.db2.gz NEQMHZUKXZSCJM-GCJKJVERSA-N 2 1 338.495 3.664 20 0 EHADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CCCCC1 ZINC000414831083 1029478019 /nfs/dbraw/zinc/47/80/19/1029478019.db2.gz BXXKLYVGOOILCP-NRFANRHFSA-N 2 1 339.483 3.658 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000245949501 1029507157 /nfs/dbraw/zinc/50/71/57/1029507157.db2.gz WFZXLBNFSPIJPK-QLFBSQMISA-N 2 1 326.431 3.505 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162231514 1029513721 /nfs/dbraw/zinc/51/37/21/1029513721.db2.gz VZWHTIGTRWMCRU-MRXNPFEDSA-N 2 1 338.499 3.975 20 0 EHADMP NCc1nc(C[N@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)no1 ZINC000262201877 1029579709 /nfs/dbraw/zinc/57/97/09/1029579709.db2.gz KOZRYKWYZMSDKU-IAGOWNOFSA-N 2 1 332.492 3.632 20 0 EHADMP NCc1nc(C[N@@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)no1 ZINC000262201877 1029579718 /nfs/dbraw/zinc/57/97/18/1029579718.db2.gz KOZRYKWYZMSDKU-IAGOWNOFSA-N 2 1 332.492 3.632 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000548792201 1029617827 /nfs/dbraw/zinc/61/78/27/1029617827.db2.gz HFDNKODXWRBKIF-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000548792201 1029617831 /nfs/dbraw/zinc/61/78/31/1029617831.db2.gz HFDNKODXWRBKIF-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP CC[NH+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463117403 1029639597 /nfs/dbraw/zinc/63/95/97/1029639597.db2.gz VHJXZIVWLNJYFM-MRXNPFEDSA-N 2 1 337.939 3.624 20 0 EHADMP C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691368 1029738017 /nfs/dbraw/zinc/73/80/17/1029738017.db2.gz MTEUMWFWIWNMTF-IRLDBZIGSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508691368 1029738025 /nfs/dbraw/zinc/73/80/25/1029738025.db2.gz MTEUMWFWIWNMTF-IRLDBZIGSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691368 1029738035 /nfs/dbraw/zinc/73/80/35/1029738035.db2.gz MTEUMWFWIWNMTF-IRLDBZIGSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720499 1029793551 /nfs/dbraw/zinc/79/35/51/1029793551.db2.gz MZCPLKOEIBVNTK-MBSDFSHPSA-N 2 1 334.507 3.902 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823863 1029808596 /nfs/dbraw/zinc/80/85/96/1029808596.db2.gz QLKNDJSJGBVNBN-QFBILLFUSA-N 2 1 336.545 3.755 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823863 1029808602 /nfs/dbraw/zinc/80/86/02/1029808602.db2.gz QLKNDJSJGBVNBN-QFBILLFUSA-N 2 1 336.545 3.755 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446823685 1029809007 /nfs/dbraw/zinc/80/90/07/1029809007.db2.gz OPWRMPMGCAHMPV-XLIONFOSSA-N 2 1 329.488 3.659 20 0 EHADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1O ZINC000080338287 1029815075 /nfs/dbraw/zinc/81/50/75/1029815075.db2.gz JYOMZCBMILJEMF-LPHOPBHVSA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1O ZINC000080338287 1029815086 /nfs/dbraw/zinc/81/50/86/1029815086.db2.gz JYOMZCBMILJEMF-LPHOPBHVSA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1O ZINC000080338287 1029815094 /nfs/dbraw/zinc/81/50/94/1029815094.db2.gz JYOMZCBMILJEMF-LPHOPBHVSA-N 2 1 340.467 3.544 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000080338923 1029816320 /nfs/dbraw/zinc/81/63/20/1029816320.db2.gz BKZHZKRLUWIUAV-UZLBHIALSA-N 2 1 340.515 3.663 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000080338923 1029816325 /nfs/dbraw/zinc/81/63/25/1029816325.db2.gz BKZHZKRLUWIUAV-UZLBHIALSA-N 2 1 340.515 3.663 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000583434260 1029828826 /nfs/dbraw/zinc/82/88/26/1029828826.db2.gz FZBOOHMYZXBTAF-IBGZPJMESA-N 2 1 335.580 3.695 20 0 EHADMP O[C@]1(C[NH2+]Cc2ccc3ccccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461050 1029858171 /nfs/dbraw/zinc/85/81/71/1029858171.db2.gz AYDNYGYSMWHKIU-QHCPKHFHSA-N 2 1 346.474 3.566 20 0 EHADMP O[C@]1(C[NH2+]Cc2ccc3ccccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461050 1029858177 /nfs/dbraw/zinc/85/81/77/1029858177.db2.gz AYDNYGYSMWHKIU-QHCPKHFHSA-N 2 1 346.474 3.566 20 0 EHADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453198836 1029897208 /nfs/dbraw/zinc/89/72/08/1029897208.db2.gz ONVPCQCOURRWIO-RTOMLYRKSA-N 2 1 342.527 3.570 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)[C@H](C)C1 ZINC000453243109 1030013647 /nfs/dbraw/zinc/01/36/47/1030013647.db2.gz YNDUOAHBUINRTI-CZAAIQMYSA-N 2 1 348.506 3.930 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000650707171 1030015232 /nfs/dbraw/zinc/01/52/32/1030015232.db2.gz ZZQOCJIHVOEHJU-FRFSOERESA-N 2 1 343.298 3.712 20 0 EHADMP CCC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000525703232 1030033556 /nfs/dbraw/zinc/03/35/56/1030033556.db2.gz HKXUGIJYBDLMDO-XPQZIERPSA-N 2 1 330.516 3.966 20 0 EHADMP CCC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000525703232 1030033565 /nfs/dbraw/zinc/03/35/65/1030033565.db2.gz HKXUGIJYBDLMDO-XPQZIERPSA-N 2 1 330.516 3.966 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980724 1030198055 /nfs/dbraw/zinc/19/80/55/1030198055.db2.gz DQELSQYSSSZLAS-IXDOHACOSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980724 1030198067 /nfs/dbraw/zinc/19/80/67/1030198067.db2.gz DQELSQYSSSZLAS-IXDOHACOSA-N 2 1 331.504 3.599 20 0 EHADMP Fc1cccc(F)c1CC1CC[NH+]([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453378129 1030200283 /nfs/dbraw/zinc/20/02/83/1030200283.db2.gz VMLPREFIRFEEDN-SJORKVTESA-N 2 1 334.454 3.846 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc(Br)cc1F ZINC000453404761 1030212546 /nfs/dbraw/zinc/21/25/46/1030212546.db2.gz PTDSGRWJSIIAAX-NSHDSACASA-N 2 1 344.272 3.508 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453406859 1030218055 /nfs/dbraw/zinc/21/80/55/1030218055.db2.gz FYRQWAOSHKGUEB-RLLQIKCJSA-N 2 1 330.516 3.692 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C ZINC000482135949 1030222316 /nfs/dbraw/zinc/22/23/16/1030222316.db2.gz PERBWPDOLBVVTE-BJLQDIEVSA-N 2 1 345.531 3.812 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000482159269 1030235281 /nfs/dbraw/zinc/23/52/81/1030235281.db2.gz VFSFBBGMBZHGJO-QUCCMNQESA-N 2 1 345.531 3.732 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482171502 1030242855 /nfs/dbraw/zinc/24/28/55/1030242855.db2.gz TVVGAMQCVKYLCY-GOSISDBHSA-N 2 1 330.516 3.798 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000531992079 1030243252 /nfs/dbraw/zinc/24/32/52/1030243252.db2.gz QPXMGBGQUSGGFZ-SQGPQFPESA-N 2 1 340.515 3.814 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000531992079 1030243270 /nfs/dbraw/zinc/24/32/70/1030243270.db2.gz QPXMGBGQUSGGFZ-SQGPQFPESA-N 2 1 340.515 3.814 20 0 EHADMP CCC[N@H+](C)[C@H](CNCc1cnc(C)n1C)c1ccc(Cl)cc1 ZINC000583642116 1030328669 /nfs/dbraw/zinc/32/86/69/1030328669.db2.gz PJRXPVNTKBQUCH-GOSISDBHSA-N 2 1 334.895 3.555 20 0 EHADMP CCC[N@@H+](C)[C@H](CNCc1cnc(C)n1C)c1ccc(Cl)cc1 ZINC000583642116 1030328677 /nfs/dbraw/zinc/32/86/77/1030328677.db2.gz PJRXPVNTKBQUCH-GOSISDBHSA-N 2 1 334.895 3.555 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cnc(-c2ccccc2F)s1)C1CC1 ZINC000453592856 1030382597 /nfs/dbraw/zinc/38/25/97/1030382597.db2.gz FPKQXXMJGFHKDA-UHFFFAOYSA-N 2 1 333.476 3.913 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000526083909 1030406344 /nfs/dbraw/zinc/40/63/44/1030406344.db2.gz QEQWKNMMZRICTH-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000526083909 1030406352 /nfs/dbraw/zinc/40/63/52/1030406352.db2.gz QEQWKNMMZRICTH-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000526083909 1030406360 /nfs/dbraw/zinc/40/63/60/1030406360.db2.gz QEQWKNMMZRICTH-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP Cc1ccn2cc(CN[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)nc2c1 ZINC000482494228 1030478493 /nfs/dbraw/zinc/47/84/93/1030478493.db2.gz CPEXHCITEMHTIS-RXVVDRJESA-N 2 1 348.494 3.643 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000550887560 1030764603 /nfs/dbraw/zinc/76/46/03/1030764603.db2.gz YRHOTGZCWLDBHN-SOAGJPPSSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550895937 1030778060 /nfs/dbraw/zinc/77/80/60/1030778060.db2.gz YVSMCAAOBDVFBF-YUXAGFNASA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000482884834 1030781431 /nfs/dbraw/zinc/78/14/31/1030781431.db2.gz FYMKFYHQMKTPHZ-GHTZIAJQSA-N 2 1 332.532 3.773 20 0 EHADMP CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942873 1030836857 /nfs/dbraw/zinc/83/68/57/1030836857.db2.gz GFKYRBWBYCEUMS-ICSRJNTNSA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942873 1030836881 /nfs/dbraw/zinc/83/68/81/1030836881.db2.gz GFKYRBWBYCEUMS-ICSRJNTNSA-N 2 1 347.547 3.542 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000537695641 1031025888 /nfs/dbraw/zinc/02/58/88/1031025888.db2.gz AKHSJUKNOCRIFP-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000537695641 1031025907 /nfs/dbraw/zinc/02/59/07/1031025907.db2.gz AKHSJUKNOCRIFP-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000537695641 1031025924 /nfs/dbraw/zinc/02/59/24/1031025924.db2.gz AKHSJUKNOCRIFP-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP CC(C)[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCCC1 ZINC000583886827 1031040092 /nfs/dbraw/zinc/04/00/92/1031040092.db2.gz DUPFSIMGJBIPNQ-NRFANRHFSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762615 1031185334 /nfs/dbraw/zinc/18/53/34/1031185334.db2.gz KUNRVOQYYCAAIK-UWJYYQICSA-N 2 1 348.494 3.716 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762615 1031185346 /nfs/dbraw/zinc/18/53/46/1031185346.db2.gz KUNRVOQYYCAAIK-UWJYYQICSA-N 2 1 348.494 3.716 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000527738965 1031190085 /nfs/dbraw/zinc/19/00/85/1031190085.db2.gz LTSIPLGGMJROMM-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000527738965 1031190096 /nfs/dbraw/zinc/19/00/96/1031190096.db2.gz LTSIPLGGMJROMM-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732397 1031305742 /nfs/dbraw/zinc/30/57/42/1031305742.db2.gz QQVGYQXMHSGJFW-KFNAQCHYSA-N 2 1 328.378 3.645 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000278545506 1031323048 /nfs/dbraw/zinc/32/30/48/1031323048.db2.gz AMHRZHAFBPGYQY-UHFFFAOYSA-N 2 1 340.393 3.772 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000565697222 1031344032 /nfs/dbraw/zinc/34/40/32/1031344032.db2.gz GHYZGSXNLMPIGM-DCXXXQMHSA-N 2 1 330.516 3.964 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000760158639 1031451671 /nfs/dbraw/zinc/45/16/71/1031451671.db2.gz VYNGAMZILJBOFP-RYUDHWBXSA-N 2 1 330.303 3.958 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccncc1 ZINC000527990932 1031548186 /nfs/dbraw/zinc/54/81/86/1031548186.db2.gz SKLCPHUJSXPHRI-HLRQEUIKSA-N 2 1 335.495 3.685 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528014414 1031569235 /nfs/dbraw/zinc/56/92/35/1031569235.db2.gz VGDSNHFEYTZCOF-JRGCBEDISA-N 2 1 333.564 3.636 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000528007657 1031578441 /nfs/dbraw/zinc/57/84/41/1031578441.db2.gz RFVIBIZXOAKBDS-JTKXBODHSA-N 2 1 330.516 3.831 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000178035736 1031612427 /nfs/dbraw/zinc/61/24/27/1031612427.db2.gz RPURJDCSWSLNAD-DLBZAZTESA-N 2 1 340.515 3.811 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)cc1 ZINC000178067277 1031617150 /nfs/dbraw/zinc/61/71/50/1031617150.db2.gz ZCCLQAPLSFEVLR-IRXDYDNUSA-N 2 1 326.488 3.563 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C1 ZINC000657834799 1031912441 /nfs/dbraw/zinc/91/24/41/1031912441.db2.gz BRALVZCWWUWITB-PXNSSMCTSA-N 2 1 328.500 3.720 20 0 EHADMP CC(C)(C)[C@H](COc1ccccc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166586278 1032034947 /nfs/dbraw/zinc/03/49/47/1032034947.db2.gz RRMZJXDDBJWKCJ-MDZRGWNJSA-N 2 1 334.479 3.836 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1 ZINC000898064893 1033309967 /nfs/dbraw/zinc/30/99/67/1033309967.db2.gz NMIUVQFBWNBVTE-ZAAXVRCTSA-N 2 1 337.467 3.791 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339065498 1033504165 /nfs/dbraw/zinc/50/41/65/1033504165.db2.gz FSGOVYWGQGBFRN-MSOLQXFVSA-N 2 1 332.488 3.591 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339065498 1033504178 /nfs/dbraw/zinc/50/41/78/1033504178.db2.gz FSGOVYWGQGBFRN-MSOLQXFVSA-N 2 1 332.488 3.591 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1cccc(Cl)c1 ZINC000424372579 1033663906 /nfs/dbraw/zinc/66/39/06/1033663906.db2.gz IDOCORJHIJJFQX-JBBXEZCESA-N 2 1 332.879 3.755 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCn3nccc32)C[N@H+]1Cc1ccccc1 ZINC000657933736 1033683535 /nfs/dbraw/zinc/68/35/35/1033683535.db2.gz VCNROLYQRYYIBP-HOJAQTOUSA-N 2 1 338.499 3.608 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)cc2cc1OC ZINC000657939005 1033700916 /nfs/dbraw/zinc/70/09/16/1033700916.db2.gz SWVHAYPZNPLFFC-HNNXBMFYSA-N 2 1 340.467 3.770 20 0 EHADMP c1cc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccc2s1 ZINC000655767747 1033727293 /nfs/dbraw/zinc/72/72/93/1033727293.db2.gz JIXICVGHSRVBJN-GOSISDBHSA-N 2 1 330.497 3.634 20 0 EHADMP CC[C@H]1C[NH+](CCCCC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000608577948 1033773555 /nfs/dbraw/zinc/77/35/55/1033773555.db2.gz DYIOIFQBNTXQDW-IRXDYDNUSA-N 2 1 330.607 3.812 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1OC ZINC001168323027 1034088455 /nfs/dbraw/zinc/08/84/55/1034088455.db2.gz NMDKBLMUYUCJIB-ABHNRTSZSA-N 2 1 332.488 3.714 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000658214227 1034097386 /nfs/dbraw/zinc/09/73/86/1034097386.db2.gz XMDXLSBTUYTKDK-AWEZNQCLSA-N 2 1 335.455 3.642 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC001168322910 1034098738 /nfs/dbraw/zinc/09/87/38/1034098738.db2.gz ITUCGGSVPNAIPH-UHFFFAOYSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324473 1034106051 /nfs/dbraw/zinc/10/60/51/1034106051.db2.gz PKMNTZKZYILKSU-UHFFFAOYSA-N 3 1 343.559 3.846 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529529761 1034113903 /nfs/dbraw/zinc/11/39/03/1034113903.db2.gz DHLWZOOVIDKBMA-IAGOWNOFSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450325822 1034140756 /nfs/dbraw/zinc/14/07/56/1034140756.db2.gz VQHZYAVMTLSULG-ONTIZHBOSA-N 2 1 344.543 3.595 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001168327951 1034180685 /nfs/dbraw/zinc/18/06/85/1034180685.db2.gz VAFVJDVGLUKPOK-UHFFFAOYSA-N 2 1 337.305 3.680 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)cc1 ZINC001168328486 1034189178 /nfs/dbraw/zinc/18/91/78/1034189178.db2.gz IERHXCJVTNGNIA-XEVCZEQESA-N 2 1 330.516 3.823 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@]1(C)CCCO1 ZINC000658318375 1034194581 /nfs/dbraw/zinc/19/45/81/1034194581.db2.gz PJNBCGQNOYQFFL-JBACZVJFSA-N 2 1 342.527 3.836 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)C[C@@H]1c1ccccc1 ZINC000421892123 1034311141 /nfs/dbraw/zinc/31/11/41/1034311141.db2.gz WINZYIGCFGLWIX-CEXWTWQISA-N 2 1 330.541 3.945 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)C[C@@H]1c1ccccc1 ZINC000421892123 1034311151 /nfs/dbraw/zinc/31/11/51/1034311151.db2.gz WINZYIGCFGLWIX-CEXWTWQISA-N 2 1 330.541 3.945 20 0 EHADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000892466483 1034423716 /nfs/dbraw/zinc/42/37/16/1034423716.db2.gz PSEHFHPANWGNBG-UHFFFAOYSA-N 2 1 328.456 3.954 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340220446 1034470031 /nfs/dbraw/zinc/47/00/31/1034470031.db2.gz AHGRIIIUHFYJBQ-WMZOPIPTSA-N 2 1 329.513 3.673 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340220446 1034470041 /nfs/dbraw/zinc/47/00/41/1034470041.db2.gz AHGRIIIUHFYJBQ-WMZOPIPTSA-N 2 1 329.513 3.673 20 0 EHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000121158180 1034478417 /nfs/dbraw/zinc/47/84/17/1034478417.db2.gz PCOZZYWILOZQHJ-KRWDZBQOSA-N 2 1 329.488 3.933 20 0 EHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000121158180 1034478426 /nfs/dbraw/zinc/47/84/26/1034478426.db2.gz PCOZZYWILOZQHJ-KRWDZBQOSA-N 2 1 329.488 3.933 20 0 EHADMP CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604774474 1034489084 /nfs/dbraw/zinc/48/90/84/1034489084.db2.gz WXCKJRSFERJWRT-MAUKXSAKSA-N 2 1 333.520 3.532 20 0 EHADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000308355127 1034806186 /nfs/dbraw/zinc/80/61/86/1034806186.db2.gz YIIWYQSZVJXHBQ-OSYNSWQESA-N 2 1 340.511 3.729 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000390852207 1034894671 /nfs/dbraw/zinc/89/46/71/1034894671.db2.gz IUWBAQICWYERKM-NRFANRHFSA-N 2 1 338.495 3.956 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000390852207 1034894677 /nfs/dbraw/zinc/89/46/77/1034894677.db2.gz IUWBAQICWYERKM-NRFANRHFSA-N 2 1 338.495 3.956 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC[C@H]1[NH3+] ZINC000647496516 1035303958 /nfs/dbraw/zinc/30/39/58/1035303958.db2.gz PWSRACGOFYKULD-MGPUTAFESA-N 2 1 328.431 3.574 20 0 EHADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497216 1035337778 /nfs/dbraw/zinc/33/77/78/1035337778.db2.gz AAWJSHZWNQERJK-LPHOPBHVSA-N 2 1 340.515 3.729 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497216 1035337785 /nfs/dbraw/zinc/33/77/85/1035337785.db2.gz AAWJSHZWNQERJK-LPHOPBHVSA-N 2 1 340.515 3.729 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063304 1035425610 /nfs/dbraw/zinc/42/56/10/1035425610.db2.gz MFNIZRGTRIMGBA-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063304 1035425614 /nfs/dbraw/zinc/42/56/14/1035425614.db2.gz MFNIZRGTRIMGBA-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000540653899 1035528523 /nfs/dbraw/zinc/52/85/23/1035528523.db2.gz QRSXRSXOMZVELY-OAQYLSRUSA-N 2 1 343.515 3.747 20 0 EHADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2OC)cc1 ZINC000571537616 1035551171 /nfs/dbraw/zinc/55/11/71/1035551171.db2.gz LASLFZYDUMBZOE-FVJLSDCUSA-N 2 1 340.467 3.653 20 0 EHADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1([NH+]2CCCCC2)CCCCC1 ZINC000534798500 1035628577 /nfs/dbraw/zinc/62/85/77/1035628577.db2.gz PQLJGBACODBYBQ-OTWHNJEPSA-N 2 1 332.532 3.722 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000187132821 1035766771 /nfs/dbraw/zinc/76/67/71/1035766771.db2.gz MHHVEQJFBITJIZ-KRWDZBQOSA-N 2 1 339.483 3.579 20 0 EHADMP C[NH+](C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000571912195 1035783315 /nfs/dbraw/zinc/78/33/15/1035783315.db2.gz GVPLQKAMIRUCBL-KRWDZBQOSA-N 2 1 349.485 3.503 20 0 EHADMP [NH3+][C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CCC1 ZINC000571872920 1035792920 /nfs/dbraw/zinc/79/29/20/1035792920.db2.gz OZAOMGIIZOUXJY-QGZVFWFLSA-N 2 1 326.444 3.522 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000187775625 1035860236 /nfs/dbraw/zinc/86/02/36/1035860236.db2.gz ZQOZEJUDEZEOLY-SFHVURJKSA-N 2 1 338.499 3.868 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000414172608 1035880790 /nfs/dbraw/zinc/88/07/90/1035880790.db2.gz FNLQMKUUMJZIOA-UONOGXRCSA-N 2 1 342.430 3.679 20 0 EHADMP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689946 1035973257 /nfs/dbraw/zinc/97/32/57/1035973257.db2.gz UCCSSIRBSFMPRX-SFTDATJTSA-N 2 1 326.484 3.610 20 0 EHADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689946 1035973266 /nfs/dbraw/zinc/97/32/66/1035973266.db2.gz UCCSSIRBSFMPRX-SFTDATJTSA-N 2 1 326.484 3.610 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689944 1035973878 /nfs/dbraw/zinc/97/38/78/1035973878.db2.gz UCCSSIRBSFMPRX-NHCUHLMSSA-N 2 1 326.484 3.610 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689944 1035973890 /nfs/dbraw/zinc/97/38/90/1035973890.db2.gz UCCSSIRBSFMPRX-NHCUHLMSSA-N 2 1 326.484 3.610 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415635 1036082936 /nfs/dbraw/zinc/08/29/36/1036082936.db2.gz AEXXWTULAQJHFG-XLIONFOSSA-N 2 1 343.902 3.950 20 0 EHADMP CCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)n1 ZINC000892574526 1036219866 /nfs/dbraw/zinc/21/98/66/1036219866.db2.gz LFROYIOEBCGVIS-QGZVFWFLSA-N 2 1 340.515 3.733 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000472573911 1036410937 /nfs/dbraw/zinc/41/09/37/1036410937.db2.gz LNLNYOUKNSMICE-NHCUHLMSSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000472573911 1036410950 /nfs/dbraw/zinc/41/09/50/1036410950.db2.gz LNLNYOUKNSMICE-NHCUHLMSSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000472573911 1036410953 /nfs/dbraw/zinc/41/09/53/1036410953.db2.gz LNLNYOUKNSMICE-NHCUHLMSSA-N 2 1 330.516 3.585 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+](C)CCCc1c[nH+]cn1C ZINC000572732019 1036474596 /nfs/dbraw/zinc/47/45/96/1036474596.db2.gz NHVOVIAOSUWQQW-CYBMUJFWSA-N 2 1 336.277 3.808 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000572732019 1036474602 /nfs/dbraw/zinc/47/46/02/1036474602.db2.gz NHVOVIAOSUWQQW-CYBMUJFWSA-N 2 1 336.277 3.808 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000398006620 1036484500 /nfs/dbraw/zinc/48/45/00/1036484500.db2.gz BEWRDIWEPSZMKH-SIKLNZKXSA-N 2 1 338.495 3.956 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000398006620 1036484511 /nfs/dbraw/zinc/48/45/11/1036484511.db2.gz BEWRDIWEPSZMKH-SIKLNZKXSA-N 2 1 338.495 3.956 20 0 EHADMP COC1([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000414292170 1036502109 /nfs/dbraw/zinc/50/21/09/1036502109.db2.gz AJMKZETZRVYQSY-RSPOEFSDSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(OC(F)(F)F)c1 ZINC001143469578 1036508571 /nfs/dbraw/zinc/50/85/71/1036508571.db2.gz XISBKEAZSCGWQZ-UHFFFAOYSA-N 2 1 330.394 3.811 20 0 EHADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(OC(F)(F)F)c1 ZINC001143469578 1036508583 /nfs/dbraw/zinc/50/85/83/1036508583.db2.gz XISBKEAZSCGWQZ-UHFFFAOYSA-N 2 1 330.394 3.811 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000589646774 1036575205 /nfs/dbraw/zinc/57/52/05/1036575205.db2.gz NERLZQOUAZZSRU-GOSISDBHSA-N 2 1 334.467 3.565 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000589646774 1036575220 /nfs/dbraw/zinc/57/52/20/1036575220.db2.gz NERLZQOUAZZSRU-GOSISDBHSA-N 2 1 334.467 3.565 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000541745880 1036598328 /nfs/dbraw/zinc/59/83/28/1036598328.db2.gz CCBRJOPJWIRRCQ-NQIIRXRSSA-N 2 1 338.499 3.668 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)s1 ZINC000541742642 1036610301 /nfs/dbraw/zinc/61/03/01/1036610301.db2.gz IHNCMXQQNDGEPH-WBVHZDCISA-N 2 1 330.497 3.522 20 0 EHADMP CC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999654 1036693941 /nfs/dbraw/zinc/69/39/41/1036693941.db2.gz QJGLVGCPZXHZJN-UHFFFAOYSA-N 2 1 339.483 3.599 20 0 EHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc2ccccc21 ZINC000177298252 1036809735 /nfs/dbraw/zinc/80/97/35/1036809735.db2.gz WNCAFUKYAQQOJF-GOSISDBHSA-N 2 1 339.527 3.764 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000539499586 1036816805 /nfs/dbraw/zinc/81/68/05/1036816805.db2.gz IMRHDHWHFXFZAK-LEWJYISDSA-N 2 1 342.527 3.897 20 0 EHADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462391224 1036912623 /nfs/dbraw/zinc/91/26/23/1036912623.db2.gz DCSSFCMYZXOTOJ-QGZVFWFLSA-N 2 1 342.405 3.550 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4COc5ccccc54)[C@H]3C2)cc1 ZINC000311835392 1037044831 /nfs/dbraw/zinc/04/48/31/1037044831.db2.gz PTGNTMFWURDLBQ-MXNKGDRCSA-N 2 1 348.490 3.663 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(C)C ZINC000647542791 1037068449 /nfs/dbraw/zinc/06/84/49/1037068449.db2.gz BVICAMHYPWBOIN-RBUKOAKNSA-N 2 1 346.515 3.694 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000508860715 1037159625 /nfs/dbraw/zinc/15/96/25/1037159625.db2.gz RQSWHHRUOVDVLL-YWFITGJYSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000508860715 1037159638 /nfs/dbraw/zinc/15/96/38/1037159638.db2.gz RQSWHHRUOVDVLL-YWFITGJYSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000508860715 1037159642 /nfs/dbraw/zinc/15/96/42/1037159642.db2.gz RQSWHHRUOVDVLL-YWFITGJYSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000508860715 1037159650 /nfs/dbraw/zinc/15/96/50/1037159650.db2.gz RQSWHHRUOVDVLL-YWFITGJYSA-N 2 1 342.527 3.900 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280018 1037237936 /nfs/dbraw/zinc/23/79/36/1037237936.db2.gz GKFVSBAWHCLKHA-HKUYNNGSSA-N 2 1 336.907 3.760 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@@H]21 ZINC000462793882 1037405006 /nfs/dbraw/zinc/40/50/06/1037405006.db2.gz SRXJRSGCJMSUNO-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@@H]21 ZINC000462793882 1037405010 /nfs/dbraw/zinc/40/50/10/1037405010.db2.gz SRXJRSGCJMSUNO-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@@H]21 ZINC000462793882 1037405017 /nfs/dbraw/zinc/40/50/17/1037405017.db2.gz SRXJRSGCJMSUNO-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311118935 1037409682 /nfs/dbraw/zinc/40/96/82/1037409682.db2.gz GQRZDMQGWVFREB-RBBKRZOGSA-N 2 1 338.495 3.612 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000462811334 1037416082 /nfs/dbraw/zinc/41/60/82/1037416082.db2.gz MAVVIBDNCYPWGU-UXHICEINSA-N 2 1 330.516 3.833 20 0 EHADMP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000532496980 1037541282 /nfs/dbraw/zinc/54/12/82/1037541282.db2.gz LVPKMDNVJSQSKU-RBUKOAKNSA-N 2 1 343.540 3.778 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000532522726 1037548005 /nfs/dbraw/zinc/54/80/05/1037548005.db2.gz FAQAHMMRERDEDI-JTDSTZFVSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000532522726 1037548027 /nfs/dbraw/zinc/54/80/27/1037548027.db2.gz FAQAHMMRERDEDI-JTDSTZFVSA-N 2 1 331.504 3.599 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C[C@H](C)O1 ZINC000540168591 1037636568 /nfs/dbraw/zinc/63/65/68/1037636568.db2.gz COSDIYXIGVFYAS-NPDDRXJXSA-N 2 1 344.543 3.877 20 0 EHADMP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000415940720 1037686244 /nfs/dbraw/zinc/68/62/44/1037686244.db2.gz FNFCAWUVWKPFEJ-QGZVFWFLSA-N 2 1 346.519 3.572 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000493917580 1037710734 /nfs/dbraw/zinc/71/07/34/1037710734.db2.gz SGQGFGASVMHZAK-UHOFOFEASA-N 2 1 337.305 3.817 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000493917580 1037710755 /nfs/dbraw/zinc/71/07/55/1037710755.db2.gz SGQGFGASVMHZAK-UHOFOFEASA-N 2 1 337.305 3.817 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000493968045 1037751116 /nfs/dbraw/zinc/75/11/16/1037751116.db2.gz IQQIOHYQUQUWON-HNNXBMFYSA-N 2 1 334.261 3.540 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124965 1037775381 /nfs/dbraw/zinc/77/53/81/1037775381.db2.gz VJRNMQLQEJWIKZ-WIYYLYMNSA-N 2 1 337.511 3.895 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463148774 1037817531 /nfs/dbraw/zinc/81/75/31/1037817531.db2.gz HKGZUWUYHASVHF-SESVDKBCSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463148774 1037817553 /nfs/dbraw/zinc/81/75/53/1037817553.db2.gz HKGZUWUYHASVHF-SESVDKBCSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463148774 1037817571 /nfs/dbraw/zinc/81/75/71/1037817571.db2.gz HKGZUWUYHASVHF-SESVDKBCSA-N 2 1 329.532 3.504 20 0 EHADMP CC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397171 1037910447 /nfs/dbraw/zinc/91/04/47/1037910447.db2.gz IZJDYMBNHSJCSI-IHPCNDPISA-N 2 1 340.515 3.762 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463238364 1037923945 /nfs/dbraw/zinc/92/39/45/1037923945.db2.gz UZVDHHGBJSGNNC-MISYRCLQSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463238364 1037923955 /nfs/dbraw/zinc/92/39/55/1037923955.db2.gz UZVDHHGBJSGNNC-MISYRCLQSA-N 2 1 332.532 3.816 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130342 1037932275 /nfs/dbraw/zinc/93/22/75/1037932275.db2.gz CQDHYSPZQYOSQZ-QHAWAJNXSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)C[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163956772 1038451544 /nfs/dbraw/zinc/45/15/44/1038451544.db2.gz HGDIPBYIAFTDOW-SFHVURJKSA-N 2 1 348.531 3.700 20 0 EHADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797316 1038534483 /nfs/dbraw/zinc/53/44/83/1038534483.db2.gz AMDVBDNZAVTVDO-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797316 1038534491 /nfs/dbraw/zinc/53/44/91/1038534491.db2.gz AMDVBDNZAVTVDO-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000538797316 1038534497 /nfs/dbraw/zinc/53/44/97/1038534497.db2.gz AMDVBDNZAVTVDO-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCC ZINC000538797316 1038534505 /nfs/dbraw/zinc/53/45/05/1038534505.db2.gz AMDVBDNZAVTVDO-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CC(C)CCn1cccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000538797996 1038536096 /nfs/dbraw/zinc/53/60/96/1038536096.db2.gz IHHWBZHRQHQHSR-NQIIRXRSSA-N 2 1 329.532 3.983 20 0 EHADMP CCc1onc(C)c1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226457 1038587112 /nfs/dbraw/zinc/58/71/12/1038587112.db2.gz RJZQZJLRGJYYCR-LPHOPBHVSA-N 2 1 341.499 3.936 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000479851487 1038784694 /nfs/dbraw/zinc/78/46/94/1038784694.db2.gz LECDYPRPCJDALJ-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479871663 1038818276 /nfs/dbraw/zinc/81/82/76/1038818276.db2.gz FTOIQFCHUOFBNZ-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccn21 ZINC000668820334 1038834550 /nfs/dbraw/zinc/83/45/50/1038834550.db2.gz UFJNURXENBCRBN-SFHVURJKSA-N 2 1 340.515 3.669 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c2ccccn21 ZINC000668820334 1038834578 /nfs/dbraw/zinc/83/45/78/1038834578.db2.gz UFJNURXENBCRBN-SFHVURJKSA-N 2 1 340.515 3.669 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000124390823 1038892087 /nfs/dbraw/zinc/89/20/87/1038892087.db2.gz WKHRIPSPUGACQI-OLZOCXBDSA-N 2 1 328.378 3.720 20 0 EHADMP COC(=O)c1csc([C@@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050462 1038920112 /nfs/dbraw/zinc/92/01/12/1038920112.db2.gz GFJCIWDUNDJWFH-QLFBSQMISA-N 2 1 338.517 3.553 20 0 EHADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050462 1038920120 /nfs/dbraw/zinc/92/01/20/1038920120.db2.gz GFJCIWDUNDJWFH-QLFBSQMISA-N 2 1 338.517 3.553 20 0 EHADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050462 1038920137 /nfs/dbraw/zinc/92/01/37/1038920137.db2.gz GFJCIWDUNDJWFH-QLFBSQMISA-N 2 1 338.517 3.553 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc3ccccc32)[C@H](C)C1 ZINC000429817888 1039019133 /nfs/dbraw/zinc/01/91/33/1039019133.db2.gz OLYAYVFPYHZALW-YLJYHZDGSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc3ccccc32)[C@H](C)C1 ZINC000429817888 1039019149 /nfs/dbraw/zinc/01/91/49/1039019149.db2.gz OLYAYVFPYHZALW-YLJYHZDGSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc3ccccc32)[C@H](C)C1 ZINC000429817888 1039019162 /nfs/dbraw/zinc/01/91/62/1039019162.db2.gz OLYAYVFPYHZALW-YLJYHZDGSA-N 2 1 326.484 3.881 20 0 EHADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552251251 1039098731 /nfs/dbraw/zinc/09/87/31/1039098731.db2.gz PPGLUIFDTODVTM-BHDDXSALSA-N 2 1 337.511 3.806 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]2CCC[C@H]21 ZINC000552289908 1039141217 /nfs/dbraw/zinc/14/12/17/1039141217.db2.gz PNPQGVMWTFDFDT-HSALFYBXSA-N 2 1 345.556 3.520 20 0 EHADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000488424110 1039161853 /nfs/dbraw/zinc/16/18/53/1039161853.db2.gz RFJOSAJCNVYXCC-KRWDZBQOSA-N 2 1 349.950 3.891 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(C)(C)C)c1 ZINC000660116367 1039219097 /nfs/dbraw/zinc/21/90/97/1039219097.db2.gz IBHOFKUPRXGPJT-AQNXPRMDSA-N 2 1 330.516 3.668 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295782 1039323073 /nfs/dbraw/zinc/32/30/73/1039323073.db2.gz KOFMXBWSRBZATP-QGZVFWFLSA-N 2 1 326.406 3.666 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295782 1039323088 /nfs/dbraw/zinc/32/30/88/1039323088.db2.gz KOFMXBWSRBZATP-QGZVFWFLSA-N 2 1 326.406 3.666 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295782 1039323093 /nfs/dbraw/zinc/32/30/93/1039323093.db2.gz KOFMXBWSRBZATP-QGZVFWFLSA-N 2 1 326.406 3.666 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000237620014 1039399213 /nfs/dbraw/zinc/39/92/13/1039399213.db2.gz HSBGSSAACDWFMU-CEXWTWQISA-N 2 1 328.500 3.742 20 0 EHADMP CCn1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1C ZINC000345063109 1039592366 /nfs/dbraw/zinc/59/23/66/1039592366.db2.gz UBHZGTMNEFJYOL-OAHLLOKOSA-N 2 1 341.503 3.543 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000245575052 1039635166 /nfs/dbraw/zinc/63/51/66/1039635166.db2.gz FBBKRSGTCWQGQM-LSDHHAIUSA-N 2 1 345.512 3.523 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000245575052 1039635174 /nfs/dbraw/zinc/63/51/74/1039635174.db2.gz FBBKRSGTCWQGQM-LSDHHAIUSA-N 2 1 345.512 3.523 20 0 EHADMP OC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000417354922 1039712659 /nfs/dbraw/zinc/71/26/59/1039712659.db2.gz ADZXJOPSYDGURR-NRFANRHFSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000480602397 1039761260 /nfs/dbraw/zinc/76/12/60/1039761260.db2.gz PPTRLUJEQNVVPD-KDURUIRLSA-N 2 1 335.580 3.741 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@H]2CCC[C@H]21 ZINC000584830884 1040009326 /nfs/dbraw/zinc/00/93/26/1040009326.db2.gz VGRJSGZDLOTCEL-HSALFYBXSA-N 2 1 330.516 3.964 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522420 1040043515 /nfs/dbraw/zinc/04/35/15/1040043515.db2.gz YPWSUZSDPIUFEV-MDZLAQPJSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522420 1040043528 /nfs/dbraw/zinc/04/35/28/1040043528.db2.gz YPWSUZSDPIUFEV-MDZLAQPJSA-N 2 1 329.257 3.722 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000245600444 1040150008 /nfs/dbraw/zinc/15/00/08/1040150008.db2.gz FLBYQEHFBKDVBN-WCIQWLHISA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000481028702 1040289155 /nfs/dbraw/zinc/28/91/55/1040289155.db2.gz YAUHQWIWKQLJLO-SFHVURJKSA-N 2 1 335.580 3.884 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000481040219 1040304176 /nfs/dbraw/zinc/30/41/76/1040304176.db2.gz SGVARUHPHRZBEY-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCCC4)[C@@H]3C2)cc1 ZINC000512624153 1040330524 /nfs/dbraw/zinc/33/05/24/1040330524.db2.gz HXKRBRMLVGVBPK-NNWRFLSQSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCCC4)[C@H]3C2)cc1 ZINC000512624149 1040330562 /nfs/dbraw/zinc/33/05/62/1040330562.db2.gz HXKRBRMLVGVBPK-ILWGZMRPSA-N 2 1 342.527 3.836 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512655797 1040404775 /nfs/dbraw/zinc/40/47/75/1040404775.db2.gz WNARCMMMXIIECV-PWRODBHTSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512654645 1040415150 /nfs/dbraw/zinc/41/51/50/1040415150.db2.gz NSIIJZFRCSDUSA-BHDDXSALSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512654645 1040415164 /nfs/dbraw/zinc/41/51/64/1040415164.db2.gz NSIIJZFRCSDUSA-BHDDXSALSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654645 1040415184 /nfs/dbraw/zinc/41/51/84/1040415184.db2.gz NSIIJZFRCSDUSA-BHDDXSALSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512654645 1040415190 /nfs/dbraw/zinc/41/51/90/1040415190.db2.gz NSIIJZFRCSDUSA-BHDDXSALSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512654645 1040415203 /nfs/dbraw/zinc/41/52/03/1040415203.db2.gz NSIIJZFRCSDUSA-BHDDXSALSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512654645 1040415216 /nfs/dbraw/zinc/41/52/16/1040415216.db2.gz NSIIJZFRCSDUSA-BHDDXSALSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654645 1040415229 /nfs/dbraw/zinc/41/52/29/1040415229.db2.gz NSIIJZFRCSDUSA-BHDDXSALSA-N 3 1 343.559 3.607 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512661734 1040447967 /nfs/dbraw/zinc/44/79/67/1040447967.db2.gz TYCYPLALVGYTEI-DNVJHFABSA-N 2 1 349.522 3.823 20 0 EHADMP C[N@@H+](Cc1cccc(Br)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168371851 1040509732 /nfs/dbraw/zinc/50/97/32/1040509732.db2.gz JOOAKRLTNLQHBM-UHFFFAOYSA-N 2 1 337.305 3.755 20 0 EHADMP C[N@H+](Cc1cccc(Br)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168371851 1040509722 /nfs/dbraw/zinc/50/97/22/1040509722.db2.gz JOOAKRLTNLQHBM-UHFFFAOYSA-N 2 1 337.305 3.755 20 0 EHADMP COc1c(O)cccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000490591540 1040619262 /nfs/dbraw/zinc/61/92/62/1040619262.db2.gz OWMOOXXXEYZWBJ-QGZVFWFLSA-N 2 1 346.515 3.877 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000481309011 1040656745 /nfs/dbraw/zinc/65/67/45/1040656745.db2.gz RAANLKOENWHDJA-ZBEGNZNMSA-N 2 1 341.268 3.507 20 0 EHADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165153 1040773467 /nfs/dbraw/zinc/77/34/67/1040773467.db2.gz FZUXHLZKSNKJDS-MSOLQXFVSA-N 2 1 332.488 3.532 20 0 EHADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165153 1040773480 /nfs/dbraw/zinc/77/34/80/1040773480.db2.gz FZUXHLZKSNKJDS-MSOLQXFVSA-N 2 1 332.488 3.532 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000481404807 1040851660 /nfs/dbraw/zinc/85/16/60/1040851660.db2.gz OEUABJBYLGHVQJ-DENIHFKCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000481404807 1040851674 /nfs/dbraw/zinc/85/16/74/1040851674.db2.gz OEUABJBYLGHVQJ-DENIHFKCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000481404807 1040851693 /nfs/dbraw/zinc/85/16/93/1040851693.db2.gz OEUABJBYLGHVQJ-DENIHFKCSA-N 2 1 343.559 3.751 20 0 EHADMP COc1ccnc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000924875739 1041004202 /nfs/dbraw/zinc/00/42/02/1041004202.db2.gz XJBJYJRPMXUTHI-HZPDHXFCSA-N 2 1 345.512 3.715 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000570944521 1041123129 /nfs/dbraw/zinc/12/31/29/1041123129.db2.gz QGNKCSWAYHQSAL-RXVVDRJESA-N 2 1 342.527 3.967 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000569914748 1041159028 /nfs/dbraw/zinc/15/90/28/1041159028.db2.gz MDRQHBJVBUAVLZ-KRWDZBQOSA-N 2 1 341.503 3.573 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481675055 1041235037 /nfs/dbraw/zinc/23/50/37/1041235037.db2.gz WRNGZGCNETWBIM-CABCVRRESA-N 2 1 328.422 3.958 20 0 EHADMP FC(F)(F)Oc1ccc2c(N[C@@H]3CCn4cc[nH+]c4C3)cc[nH+]c2c1 ZINC000899875421 1041262981 /nfs/dbraw/zinc/26/29/81/1041262981.db2.gz VKLVONAFACUULZ-LLVKDONJSA-N 2 1 348.328 3.757 20 0 EHADMP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000512928600 1041265464 /nfs/dbraw/zinc/26/54/64/1041265464.db2.gz ZATJDQPLFIOIRX-RBUKOAKNSA-N 2 1 338.495 3.801 20 0 EHADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000512928600 1041265478 /nfs/dbraw/zinc/26/54/78/1041265478.db2.gz ZATJDQPLFIOIRX-RBUKOAKNSA-N 2 1 338.495 3.801 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000512972568 1041320795 /nfs/dbraw/zinc/32/07/95/1041320795.db2.gz UOLVMGHEUBQKTG-SDXDJHTJSA-N 2 1 328.500 3.797 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000388493973 1041323999 /nfs/dbraw/zinc/32/39/99/1041323999.db2.gz ADLMTYKMZRQJOB-BFHYXJOUSA-N 2 1 343.334 3.911 20 0 EHADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000364450092 1041326674 /nfs/dbraw/zinc/32/66/74/1041326674.db2.gz TWPSBBWSGADHNI-GRDNDAEWSA-N 2 1 340.389 3.789 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000293587852 1041385984 /nfs/dbraw/zinc/38/59/84/1041385984.db2.gz FGKFETBFRYRHBD-ZDUSSCGKSA-N 2 1 341.318 3.714 20 0 EHADMP COc1ccccc1CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675447 1041768013 /nfs/dbraw/zinc/76/80/13/1041768013.db2.gz JXDRVCWQNKVIQS-UHFFFAOYSA-N 2 1 338.495 3.882 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C1CC1 ZINC000651600492 1041775064 /nfs/dbraw/zinc/77/50/64/1041775064.db2.gz QEEBOPNNLCQHIC-UHFFFAOYSA-N 2 1 346.906 3.549 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652150914 1042242176 /nfs/dbraw/zinc/24/21/76/1042242176.db2.gz CCZHORZUCXVIPS-SFTDATJTSA-N 2 1 345.531 3.530 20 0 EHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348068 1042406535 /nfs/dbraw/zinc/40/65/35/1042406535.db2.gz TVLAVTZWLLKQQQ-MJXUCMMTSA-N 2 1 340.870 3.758 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCc2ccc(Cl)cc2)C1 ZINC000652361926 1042420095 /nfs/dbraw/zinc/42/00/95/1042420095.db2.gz SUIZSCPMJMCWLJ-GUDVDZBRSA-N 2 1 336.907 3.633 20 0 EHADMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000248727920 1042530592 /nfs/dbraw/zinc/53/05/92/1042530592.db2.gz INFXXRNFCPHNDH-IAGOWNOFSA-N 2 1 346.519 3.528 20 0 EHADMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000248727920 1042530595 /nfs/dbraw/zinc/53/05/95/1042530595.db2.gz INFXXRNFCPHNDH-IAGOWNOFSA-N 2 1 346.519 3.528 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000796702910 1042561579 /nfs/dbraw/zinc/56/15/79/1042561579.db2.gz QLBWKFJNCDSUSO-FKBYEOEOSA-N 2 1 341.543 3.682 20 0 EHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662295585 1042664495 /nfs/dbraw/zinc/66/44/95/1042664495.db2.gz HCAVHUVPJJKJON-QGZVFWFLSA-N 2 1 343.446 3.692 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)[C@@H]1CCC[NH3+] ZINC000662312465 1042681764 /nfs/dbraw/zinc/68/17/64/1042681764.db2.gz GPPOGPYUSHPWQX-RHSMWYFYSA-N 2 1 331.435 3.820 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662388418 1042699358 /nfs/dbraw/zinc/69/93/58/1042699358.db2.gz OHCZAHLTYRSLRO-MRXNPFEDSA-N 2 1 349.478 3.917 20 0 EHADMP Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000162335962 1042723792 /nfs/dbraw/zinc/72/37/92/1042723792.db2.gz GCCKTIKEOPTEME-LSDHHAIUSA-N 2 1 333.501 3.804 20 0 EHADMP COc1ccc2nc(CNC[C@H]3CCC[N@@H+](CC4CC4)C3)sc2c1 ZINC000663344024 1042726703 /nfs/dbraw/zinc/72/67/03/1042726703.db2.gz MKCZNSWBQVQNCF-OAHLLOKOSA-N 2 1 345.512 3.517 20 0 EHADMP CCCOc1c(CNC[C@H]2CC[N@H+](C(C)C)C2)cccc1OCC ZINC000067507235 1042778195 /nfs/dbraw/zinc/77/81/95/1042778195.db2.gz YZJHGKKSAXAHEQ-QGZVFWFLSA-N 2 1 334.504 3.694 20 0 EHADMP CCCOc1c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cccc1OCC ZINC000067507235 1042778199 /nfs/dbraw/zinc/77/81/99/1042778199.db2.gz YZJHGKKSAXAHEQ-QGZVFWFLSA-N 2 1 334.504 3.694 20 0 EHADMP CCCOc1c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cccc1OCC ZINC000067507235 1042778206 /nfs/dbraw/zinc/77/82/06/1042778206.db2.gz YZJHGKKSAXAHEQ-QGZVFWFLSA-N 2 1 334.504 3.694 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000663467146 1042890734 /nfs/dbraw/zinc/89/07/34/1042890734.db2.gz ZSCJYNSRLYFCER-FUHWJXTLSA-N 2 1 346.515 3.785 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000165756515 1042892681 /nfs/dbraw/zinc/89/26/81/1042892681.db2.gz KZKBHSTVKFNLNE-CXAGYDPISA-N 2 1 333.526 3.680 20 0 EHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466538 1042892770 /nfs/dbraw/zinc/89/27/70/1042892770.db2.gz VESSZUWTRZKBIK-BEFAXECRSA-N 2 1 332.463 3.533 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000165756632 1042893269 /nfs/dbraw/zinc/89/32/69/1042893269.db2.gz KZKBHSTVKFNLNE-SUMWQHHRSA-N 2 1 333.526 3.680 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663471828 1042902556 /nfs/dbraw/zinc/90/25/56/1042902556.db2.gz YOVHGIDJGJSXCK-FUHWJXTLSA-N 2 1 346.515 3.785 20 0 EHADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925778595 1042910278 /nfs/dbraw/zinc/91/02/78/1042910278.db2.gz JVVSIKASLUFBMQ-HOCLYGCPSA-N 2 1 326.431 3.617 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001167826912 1042963035 /nfs/dbraw/zinc/96/30/35/1042963035.db2.gz RVFUICYZOGVAFK-BVSLBCMMSA-N 2 1 343.559 3.561 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000278933268 1042986509 /nfs/dbraw/zinc/98/65/09/1042986509.db2.gz JJOULZCJTIZGDE-XJKSGUPXSA-N 2 1 348.288 3.949 20 0 EHADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(F)c1F ZINC000343974311 1042987911 /nfs/dbraw/zinc/98/79/11/1042987911.db2.gz GAFDWPYNDOKCFW-AWEZNQCLSA-N 2 1 349.425 3.541 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278960879 1043090844 /nfs/dbraw/zinc/09/08/44/1043090844.db2.gz MJJIFILXWHHDHU-UONOGXRCSA-N 2 1 335.398 3.706 20 0 EHADMP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408890 1043107335 /nfs/dbraw/zinc/10/73/35/1043107335.db2.gz WIUODYYPZYWZIM-RTBURBONSA-N 2 1 348.531 3.873 20 0 EHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418093 1043151518 /nfs/dbraw/zinc/15/15/18/1043151518.db2.gz PWTYTKXMPHOGMQ-OXQOHEQNSA-N 2 1 346.515 3.508 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419328 1043152937 /nfs/dbraw/zinc/15/29/37/1043152937.db2.gz BCWKHILCWCIHAV-HUUCEWRRSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419328 1043152953 /nfs/dbraw/zinc/15/29/53/1043152953.db2.gz BCWKHILCWCIHAV-HUUCEWRRSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344066684 1043193374 /nfs/dbraw/zinc/19/33/74/1043193374.db2.gz QQBKNAUSIOSHDM-YRNRMSPPSA-N 2 1 334.479 3.682 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344074013 1043204701 /nfs/dbraw/zinc/20/47/01/1043204701.db2.gz MLJBHHXVYNRKOO-LEWJYISDSA-N 2 1 330.516 3.744 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446627 1043274477 /nfs/dbraw/zinc/27/44/77/1043274477.db2.gz NBBPIGWCUOTJLD-MSOLQXFVSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446627 1043274482 /nfs/dbraw/zinc/27/44/82/1043274482.db2.gz NBBPIGWCUOTJLD-MSOLQXFVSA-N 2 1 326.484 3.991 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)s1 ZINC000512128121 1043351555 /nfs/dbraw/zinc/35/15/55/1043351555.db2.gz FMCMSGGUZDLOPJ-UHFFFAOYSA-N 2 1 337.920 3.926 20 0 EHADMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000188676178 1043616810 /nfs/dbraw/zinc/61/68/10/1043616810.db2.gz XFMXELBUNQCDGL-JOCHJYFZSA-N 2 1 344.543 3.614 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)CC1 ZINC000512176365 1043646620 /nfs/dbraw/zinc/64/66/20/1043646620.db2.gz CMRMADFAADFHNS-IBGZPJMESA-N 2 1 340.511 3.906 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)CC1 ZINC000512176365 1043646628 /nfs/dbraw/zinc/64/66/28/1043646628.db2.gz CMRMADFAADFHNS-IBGZPJMESA-N 2 1 340.511 3.906 20 0 EHADMP Fc1ccccc1Oc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000279565031 1044236527 /nfs/dbraw/zinc/23/65/27/1044236527.db2.gz SFDRHACKOVTXTH-IRXDYDNUSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000279565031 1044236541 /nfs/dbraw/zinc/23/65/41/1044236541.db2.gz SFDRHACKOVTXTH-IRXDYDNUSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000279565031 1044236557 /nfs/dbraw/zinc/23/65/57/1044236557.db2.gz SFDRHACKOVTXTH-IRXDYDNUSA-N 2 1 341.430 3.729 20 0 EHADMP CCCc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154483595 1125721749 /nfs/dbraw/zinc/72/17/49/1125721749.db2.gz OAHZCTUHJJVWDK-LJQANCHMSA-N 2 1 331.548 3.707 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000267528372 1125732673 /nfs/dbraw/zinc/73/26/73/1125732673.db2.gz QWGITGQTHUIQQX-COPCDDAFSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000267528372 1125732678 /nfs/dbraw/zinc/73/26/78/1125732678.db2.gz QWGITGQTHUIQQX-COPCDDAFSA-N 2 1 338.495 3.537 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000163236735 1125760495 /nfs/dbraw/zinc/76/04/95/1125760495.db2.gz YHXYRKQSCFMXMG-KNQAVFIVSA-N 2 1 338.495 3.910 20 0 EHADMP COc1cccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000172575033 1126799422 /nfs/dbraw/zinc/79/94/22/1126799422.db2.gz XJSUUIOGUIPUFY-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000172846580 1126817285 /nfs/dbraw/zinc/81/72/85/1126817285.db2.gz DUKZMLXYNNDNJQ-RISCZKNCSA-N 2 1 332.822 3.856 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1(C)C ZINC000623352127 1126928496 /nfs/dbraw/zinc/92/84/96/1126928496.db2.gz PSKSMZDNEKUXMW-MRXNPFEDSA-N 2 1 344.421 3.728 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1(C)C ZINC000623357867 1126928878 /nfs/dbraw/zinc/92/88/78/1126928878.db2.gz DEJIPWVRTHNHGN-GOSISDBHSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1(C)C ZINC000623357867 1126928884 /nfs/dbraw/zinc/92/88/84/1126928884.db2.gz DEJIPWVRTHNHGN-GOSISDBHSA-N 2 1 339.483 3.623 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623360958 1126930398 /nfs/dbraw/zinc/93/03/98/1126930398.db2.gz HQTPEIGCNLHJDL-UHFFFAOYSA-N 2 1 334.467 3.626 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000623404104 1126946121 /nfs/dbraw/zinc/94/61/21/1126946121.db2.gz QMMDEOZXCURTCH-NRFANRHFSA-N 2 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)c2)CC1 ZINC000623404104 1126946122 /nfs/dbraw/zinc/94/61/22/1126946122.db2.gz QMMDEOZXCURTCH-NRFANRHFSA-N 3 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000623404104 1126946124 /nfs/dbraw/zinc/94/61/24/1126946124.db2.gz QMMDEOZXCURTCH-NRFANRHFSA-N 3 1 343.559 3.881 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@@H]1c1cccs1 ZINC000623429456 1126953676 /nfs/dbraw/zinc/95/36/76/1126953676.db2.gz DNUFLZFZLUOBLT-HNAYVOBHSA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@@H]1c1cccs1 ZINC000623429456 1126953678 /nfs/dbraw/zinc/95/36/78/1126953678.db2.gz DNUFLZFZLUOBLT-HNAYVOBHSA-N 2 1 340.496 3.797 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccsc1Br ZINC000623429781 1126954430 /nfs/dbraw/zinc/95/44/30/1126954430.db2.gz PSPSHTPJTCPUBK-UHFFFAOYSA-N 2 1 328.279 3.586 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(OC[C@H]2CCCO2)c1 ZINC000623445446 1126957339 /nfs/dbraw/zinc/95/73/39/1126957339.db2.gz RKYCKXRSSGUJEC-RBUKOAKNSA-N 2 1 346.515 3.515 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(OC[C@H]2CCCO2)c1 ZINC000623445446 1126957341 /nfs/dbraw/zinc/95/73/41/1126957341.db2.gz RKYCKXRSSGUJEC-RBUKOAKNSA-N 2 1 346.515 3.515 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447082 1126958038 /nfs/dbraw/zinc/95/80/38/1126958038.db2.gz CIYIIAUOTGLYOW-SFHVURJKSA-N 2 1 340.515 3.958 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623447082 1126958040 /nfs/dbraw/zinc/95/80/40/1126958040.db2.gz CIYIIAUOTGLYOW-SFHVURJKSA-N 2 1 340.515 3.958 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447082 1126958041 /nfs/dbraw/zinc/95/80/41/1126958041.db2.gz CIYIIAUOTGLYOW-SFHVURJKSA-N 2 1 340.515 3.958 20 0 EHADMP C[N@H+]1CC[C@@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC1(C)C ZINC000623497114 1126970913 /nfs/dbraw/zinc/97/09/13/1126970913.db2.gz XYNKHALDDYILOE-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC000623497114 1126970918 /nfs/dbraw/zinc/97/09/18/1126970918.db2.gz XYNKHALDDYILOE-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1(C)C ZINC000623497114 1126970922 /nfs/dbraw/zinc/97/09/22/1126970922.db2.gz XYNKHALDDYILOE-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497114 1126970924 /nfs/dbraw/zinc/97/09/24/1126970924.db2.gz XYNKHALDDYILOE-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537878 1126979522 /nfs/dbraw/zinc/97/95/22/1126979522.db2.gz MBIZJVBFCCKMHE-HZPDHXFCSA-N 2 1 344.421 3.591 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537878 1126979524 /nfs/dbraw/zinc/97/95/24/1126979524.db2.gz MBIZJVBFCCKMHE-HZPDHXFCSA-N 2 1 344.421 3.591 20 0 EHADMP Cc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000623607320 1126991607 /nfs/dbraw/zinc/99/16/07/1126991607.db2.gz CCYCUQIEKNYQAZ-HXUWFJFHSA-N 2 1 336.479 3.553 20 0 EHADMP CCOc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000623654654 1127005304 /nfs/dbraw/zinc/00/53/04/1127005304.db2.gz FMWUGHNAIRKLQT-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(Cl)c1OC ZINC000623654654 1127005307 /nfs/dbraw/zinc/00/53/07/1127005307.db2.gz FMWUGHNAIRKLQT-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000623654654 1127005309 /nfs/dbraw/zinc/00/53/09/1127005309.db2.gz FMWUGHNAIRKLQT-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP CCCCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623654574 1127004775 /nfs/dbraw/zinc/00/47/75/1127004775.db2.gz CSFOJONDLBFWDE-GOSISDBHSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1c(CNC[C@@H]2CCCC[N@@H+](C)C2)cccc1OCC ZINC000623655026 1127005699 /nfs/dbraw/zinc/00/56/99/1127005699.db2.gz MIVWIHQUQIOOEZ-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cccc1OCC ZINC000623655026 1127005703 /nfs/dbraw/zinc/00/57/03/1127005703.db2.gz MIVWIHQUQIOOEZ-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cccc1OCC ZINC000623655026 1127005708 /nfs/dbraw/zinc/00/57/08/1127005708.db2.gz MIVWIHQUQIOOEZ-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000623862533 1127200919 /nfs/dbraw/zinc/20/09/19/1127200919.db2.gz WUTAPOBRXPJMIP-NRFANRHFSA-N 2 1 331.548 3.699 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000623963373 1127223394 /nfs/dbraw/zinc/22/33/94/1127223394.db2.gz GEVRPCCOHISTKG-QZTJIDSGSA-N 2 1 333.476 3.795 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623986858 1127224934 /nfs/dbraw/zinc/22/49/34/1127224934.db2.gz IZQOHJZIFWDUCA-SESVDKBCSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123536 1127256503 /nfs/dbraw/zinc/25/65/03/1127256503.db2.gz NTPZFLAYBCJYQJ-CABCVRRESA-N 2 1 328.422 3.958 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000624123163 1127256905 /nfs/dbraw/zinc/25/69/05/1127256905.db2.gz GZTIEKPIRNDGES-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119885 1127255581 /nfs/dbraw/zinc/25/55/81/1127255581.db2.gz LSVWHKVYSLEZBX-QZTJIDSGSA-N 2 1 345.531 3.849 20 0 EHADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624170224 1127268644 /nfs/dbraw/zinc/26/86/44/1127268644.db2.gz NUKRIKXATUWYHV-IEBWSBKVSA-N 2 1 334.891 3.560 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000182769197 1127347486 /nfs/dbraw/zinc/34/74/86/1127347486.db2.gz HGEXCFFGHGSLDS-UHFFFAOYSA-N 2 1 349.494 3.598 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000184557758 1127408631 /nfs/dbraw/zinc/40/86/31/1127408631.db2.gz ZPBACFFUAGKYDH-HTAPYJJXSA-N 2 1 349.478 3.825 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254488 1127423016 /nfs/dbraw/zinc/42/30/16/1127423016.db2.gz VMZSYCHCSHEMAI-WMZOPIPTSA-N 2 1 336.495 3.677 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@H]1CC[NH3+] ZINC000404426669 1127433970 /nfs/dbraw/zinc/43/39/70/1127433970.db2.gz LZTINDFYDJAWHC-DYVFJYSZSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@H]1CC[NH3+] ZINC000404426669 1127433971 /nfs/dbraw/zinc/43/39/71/1127433971.db2.gz LZTINDFYDJAWHC-DYVFJYSZSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000325390555 1127505396 /nfs/dbraw/zinc/50/53/96/1127505396.db2.gz PSCQWBBCKCFMEI-ZWKOTPCHSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000382824279 1127522811 /nfs/dbraw/zinc/52/28/11/1127522811.db2.gz BCPQLICSNOZMHK-CRAIPNDOSA-N 2 1 347.503 3.506 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC000386032378 1127620791 /nfs/dbraw/zinc/62/07/91/1127620791.db2.gz YMRZZSIMSWWVAB-NHCUHLMSSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC000386032378 1127620794 /nfs/dbraw/zinc/62/07/94/1127620794.db2.gz YMRZZSIMSWWVAB-NHCUHLMSSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC000386032378 1127620796 /nfs/dbraw/zinc/62/07/96/1127620796.db2.gz YMRZZSIMSWWVAB-NHCUHLMSSA-N 2 1 336.479 3.519 20 0 EHADMP C[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545655 1127682572 /nfs/dbraw/zinc/68/25/72/1127682572.db2.gz YOJCIWFECLAEDT-MJGOQNOKSA-N 2 1 336.483 3.823 20 0 EHADMP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)c2o1 ZINC000921617690 1127765997 /nfs/dbraw/zinc/76/59/97/1127765997.db2.gz DWZCMYUREUUHBX-UHFFFAOYSA-N 2 1 343.471 3.668 20 0 EHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000282235382 1128121626 /nfs/dbraw/zinc/12/16/26/1128121626.db2.gz ZRLIEPQRKTXECI-IFMALSPDSA-N 2 1 343.559 3.589 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000063665394 1128150959 /nfs/dbraw/zinc/15/09/59/1128150959.db2.gz GAXUMSDCSBUKMO-SFHVURJKSA-N 2 1 345.531 3.523 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000671739334 1128175206 /nfs/dbraw/zinc/17/52/06/1128175206.db2.gz XQLDIBKJVKMPDM-IXDOHACOSA-N 2 1 326.406 3.710 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749652 1128200739 /nfs/dbraw/zinc/20/07/39/1128200739.db2.gz BPECRQLZYRSWEJ-AWEZNQCLSA-N 2 1 343.471 3.981 20 0 EHADMP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001648826516 1120049998 /nfs/dbraw/zinc/04/99/98/1120049998.db2.gz JAUJQGYMCAEDGJ-NHCUHLMSSA-N 2 1 330.516 3.897 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378177 1120705550 /nfs/dbraw/zinc/70/55/50/1120705550.db2.gz QXTIXYDJFRDJTB-RTBURBONSA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378177 1120705554 /nfs/dbraw/zinc/70/55/54/1120705554.db2.gz QXTIXYDJFRDJTB-RTBURBONSA-N 2 1 340.515 3.891 20 0 EHADMP FC(F)Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192934268 1120753473 /nfs/dbraw/zinc/75/34/73/1120753473.db2.gz JKVHSSJRUOMZOE-GOSISDBHSA-N 2 1 346.421 3.900 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193981593 1120814278 /nfs/dbraw/zinc/81/42/78/1120814278.db2.gz PTNJEEYYMXCJDB-PXAZEXFGSA-N 2 1 348.288 3.867 20 0 EHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000494890161 1120893097 /nfs/dbraw/zinc/89/30/97/1120893097.db2.gz DRWGJRQSISVQST-QLIIJSOBSA-N 2 1 332.463 3.510 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227914907 1120923809 /nfs/dbraw/zinc/92/38/09/1120923809.db2.gz CJUVVYKFLHZPOM-COXVUDFISA-N 2 1 337.305 3.597 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+]3CC(C)C)CC2)n1 ZINC000495092045 1120949490 /nfs/dbraw/zinc/94/94/90/1120949490.db2.gz LIKSXJLUIPPJEI-ABHNRTSZSA-N 2 1 334.508 3.504 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3CC(C)C)CC2)n1 ZINC000495092045 1120949492 /nfs/dbraw/zinc/94/94/92/1120949492.db2.gz LIKSXJLUIPPJEI-ABHNRTSZSA-N 2 1 334.508 3.504 20 0 EHADMP C[C@@H]1CC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000670157992 1121120462 /nfs/dbraw/zinc/12/04/62/1121120462.db2.gz CGIGRLOOCNYSGL-RTBURBONSA-N 2 1 344.543 3.877 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000232616752 1121132939 /nfs/dbraw/zinc/13/29/39/1121132939.db2.gz XGJTUOPPQMFLMU-CQSZACIVSA-N 2 1 327.310 3.700 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650368 1121397702 /nfs/dbraw/zinc/39/77/02/1121397702.db2.gz QJOIKKCCQFPCHR-FXAWDEMLSA-N 2 1 346.515 3.553 20 0 EHADMP C[N@H+](Cc1c(Cl)cccc1Br)CC1CC[NH2+]CC1 ZINC001235433718 1121558020 /nfs/dbraw/zinc/55/80/20/1121558020.db2.gz NABINCBLMVWKPI-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2c(Br)ccc(C)c2Cl)CC1 ZINC001235679908 1121662465 /nfs/dbraw/zinc/66/24/65/1121662465.db2.gz OLXKORROVGDQCN-UHFFFAOYSA-N 2 1 345.712 3.842 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000763209966 1121883225 /nfs/dbraw/zinc/88/32/25/1121883225.db2.gz IPYIRYSCEYZSSV-KRWDZBQOSA-N 2 1 349.563 3.567 20 0 EHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2c(s1)CCCC2 ZINC000124400399 1122284118 /nfs/dbraw/zinc/28/41/18/1122284118.db2.gz FUSBKWFIGQRUOZ-MRXNPFEDSA-N 2 1 349.588 3.551 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000556091045 1122811932 /nfs/dbraw/zinc/81/19/32/1122811932.db2.gz KKIBZUCTNICMDQ-QRVBRYPASA-N 2 1 346.563 3.937 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000556091045 1122811934 /nfs/dbraw/zinc/81/19/34/1122811934.db2.gz KKIBZUCTNICMDQ-QRVBRYPASA-N 2 1 346.563 3.937 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234039 1122886510 /nfs/dbraw/zinc/88/65/10/1122886510.db2.gz UHBGFQWODPRQKT-RBBKRZOGSA-N 3 1 343.559 3.753 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234039 1122886517 /nfs/dbraw/zinc/88/65/17/1122886517.db2.gz UHBGFQWODPRQKT-RBBKRZOGSA-N 3 1 343.559 3.753 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C)c1Br ZINC001236217193 1123107475 /nfs/dbraw/zinc/10/74/75/1123107475.db2.gz NNIYZVXYPQBQFF-HUUCEWRRSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C)c1Br ZINC001236217193 1123107477 /nfs/dbraw/zinc/10/74/77/1123107477.db2.gz NNIYZVXYPQBQFF-HUUCEWRRSA-N 2 1 325.294 3.768 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000556863223 1123152595 /nfs/dbraw/zinc/15/25/95/1123152595.db2.gz XMQOTIWDWYDIGL-HRCADAONSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000556858538 1123155472 /nfs/dbraw/zinc/15/54/72/1123155472.db2.gz QVVWQCSCTFSPHO-QLFBSQMISA-N 2 1 328.378 3.548 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@H](C)C1 ZINC000132317097 1123218112 /nfs/dbraw/zinc/21/81/12/1123218112.db2.gz CUNZJRDAIGIIGR-VQIMIIECSA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@H](C)C1 ZINC000132317097 1123218117 /nfs/dbraw/zinc/21/81/17/1123218117.db2.gz CUNZJRDAIGIIGR-VQIMIIECSA-N 2 1 331.504 3.613 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132625029 1123261707 /nfs/dbraw/zinc/26/17/07/1123261707.db2.gz MUCBKCKYLHRLCD-CZUORRHYSA-N 2 1 341.421 3.799 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132625029 1123261710 /nfs/dbraw/zinc/26/17/10/1123261710.db2.gz MUCBKCKYLHRLCD-CZUORRHYSA-N 2 1 341.421 3.799 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000557014828 1123264879 /nfs/dbraw/zinc/26/48/79/1123264879.db2.gz YUECWMYLFUKPPG-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000557014828 1123264881 /nfs/dbraw/zinc/26/48/81/1123264881.db2.gz YUECWMYLFUKPPG-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000557014828 1123264882 /nfs/dbraw/zinc/26/48/82/1123264882.db2.gz YUECWMYLFUKPPG-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000557014828 1123264885 /nfs/dbraw/zinc/26/48/85/1123264885.db2.gz YUECWMYLFUKPPG-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000133163014 1123354772 /nfs/dbraw/zinc/35/47/72/1123354772.db2.gz NRDGQIVGBDDJOV-JJRVBVJISA-N 2 1 341.421 3.940 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3c(C)cccn23)CC1 ZINC000134163923 1123497140 /nfs/dbraw/zinc/49/71/40/1123497140.db2.gz VYQYVURBAZTYOA-UHFFFAOYSA-N 2 1 328.504 3.587 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000237609985 1123528523 /nfs/dbraw/zinc/52/85/23/1123528523.db2.gz IRWCXVDSTCHLTP-HDICACEKSA-N 2 1 326.484 3.819 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000081096205 1123774948 /nfs/dbraw/zinc/77/49/48/1123774948.db2.gz JXRJUNPWYFGYBM-RHSMWYFYSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000081096205 1123774953 /nfs/dbraw/zinc/77/49/53/1123774953.db2.gz JXRJUNPWYFGYBM-RHSMWYFYSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000081096205 1123774956 /nfs/dbraw/zinc/77/49/56/1123774956.db2.gz JXRJUNPWYFGYBM-RHSMWYFYSA-N 2 1 344.421 3.790 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000081571598 1123848445 /nfs/dbraw/zinc/84/84/45/1123848445.db2.gz CFUOZFCLXFPYRG-HXUWFJFHSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000081571598 1123848449 /nfs/dbraw/zinc/84/84/49/1123848449.db2.gz CFUOZFCLXFPYRG-HXUWFJFHSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000081571598 1123848457 /nfs/dbraw/zinc/84/84/57/1123848457.db2.gz CFUOZFCLXFPYRG-HXUWFJFHSA-N 2 1 340.515 3.653 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098426 1129154897 /nfs/dbraw/zinc/15/48/97/1129154897.db2.gz XUFDBHJGYSTUQX-CGTJXYLNSA-N 2 1 334.529 3.507 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098426 1129154901 /nfs/dbraw/zinc/15/49/01/1129154901.db2.gz XUFDBHJGYSTUQX-CGTJXYLNSA-N 2 1 334.529 3.507 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000421845824 1129178941 /nfs/dbraw/zinc/17/89/41/1129178941.db2.gz YAUJMIROPINPQD-QXAKKESOSA-N 2 1 327.516 3.572 20 0 EHADMP c1ccc(CCOCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246475495 1124477334 /nfs/dbraw/zinc/47/73/34/1124477334.db2.gz GHEBYEUQQXSARC-UNMCSNQZSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246475495 1124477337 /nfs/dbraw/zinc/47/73/37/1124477337.db2.gz GHEBYEUQQXSARC-UNMCSNQZSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246475495 1124477340 /nfs/dbraw/zinc/47/73/40/1124477340.db2.gz GHEBYEUQQXSARC-UNMCSNQZSA-N 2 1 342.527 3.585 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)C(C)(C)C)CC2)oc1C ZINC000825302648 1131266848 /nfs/dbraw/zinc/26/68/48/1131266848.db2.gz VMAPMZFYGWEOKH-LJQANCHMSA-N 2 1 333.520 3.918 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246875788 1124562856 /nfs/dbraw/zinc/56/28/56/1124562856.db2.gz DSQGPECHGMGOGR-JKIFEVAISA-N 2 1 339.321 3.843 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246875788 1124562863 /nfs/dbraw/zinc/56/28/63/1124562863.db2.gz DSQGPECHGMGOGR-JKIFEVAISA-N 2 1 339.321 3.843 20 0 EHADMP CCn1cc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000246960784 1124571091 /nfs/dbraw/zinc/57/10/91/1124571091.db2.gz HWQSDNWLWQPCTJ-ABSDTBQOSA-N 2 1 326.488 3.607 20 0 EHADMP Fc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246952450 1124572105 /nfs/dbraw/zinc/57/21/05/1124572105.db2.gz UQFZPNGRPPNFKR-OXJNMPFZSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246952450 1124572113 /nfs/dbraw/zinc/57/21/13/1124572113.db2.gz UQFZPNGRPPNFKR-OXJNMPFZSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246952450 1124572128 /nfs/dbraw/zinc/57/21/28/1124572128.db2.gz UQFZPNGRPPNFKR-OXJNMPFZSA-N 2 1 332.463 3.543 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)[C@@H](C)C1 ZINC000247053573 1124584167 /nfs/dbraw/zinc/58/41/67/1124584167.db2.gz MHCPXMJNCNQLSN-VMXMFDLUSA-N 2 1 330.516 3.783 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247142341 1124590433 /nfs/dbraw/zinc/59/04/33/1124590433.db2.gz WHDVAPARHPNWBS-DYXWJJEUSA-N 2 1 332.532 3.907 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000248047837 1124636543 /nfs/dbraw/zinc/63/65/43/1124636543.db2.gz VNWCKENUDUSCGZ-FUHWJXTLSA-N 2 1 329.532 3.721 20 0 EHADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000248047837 1124636548 /nfs/dbraw/zinc/63/65/48/1124636548.db2.gz VNWCKENUDUSCGZ-FUHWJXTLSA-N 2 1 329.532 3.721 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248405622 1124658144 /nfs/dbraw/zinc/65/81/44/1124658144.db2.gz RNJJQIUVUBLRAQ-FYZZASKESA-N 2 1 344.543 3.674 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000248434460 1124662462 /nfs/dbraw/zinc/66/24/62/1124662462.db2.gz DXIIGFSIDFBPGJ-PGRDOPGGSA-N 2 1 338.495 3.721 20 0 EHADMP CC(C)(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883114 1124711849 /nfs/dbraw/zinc/71/18/49/1124711849.db2.gz LGXRQHUJDHMFDE-YRPNKDGESA-N 2 1 330.516 3.569 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000250744147 1124843889 /nfs/dbraw/zinc/84/38/89/1124843889.db2.gz HNQRMTWWWSMPTQ-OLZOCXBDSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000250744147 1124843897 /nfs/dbraw/zinc/84/38/97/1124843897.db2.gz HNQRMTWWWSMPTQ-OLZOCXBDSA-N 2 1 343.696 3.819 20 0 EHADMP CC[C@@H](C[NH2+]C1CC[NH+](C)CC1)Oc1ccccc1C(F)(F)F ZINC000090231007 1124904077 /nfs/dbraw/zinc/90/40/77/1124904077.db2.gz ZONGPYQNRVFVDF-AWEZNQCLSA-N 2 1 330.394 3.547 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccncc2F)CC1 ZINC000449220767 1124974914 /nfs/dbraw/zinc/97/49/14/1124974914.db2.gz RNVJBSLEVGQHRN-UHFFFAOYSA-N 2 1 327.447 3.742 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921499304 1125177083 /nfs/dbraw/zinc/17/70/83/1125177083.db2.gz WDOKGKMEQIOPNH-UHFFFAOYSA-N 2 1 325.456 3.836 20 0 EHADMP COc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000093683903 1125288582 /nfs/dbraw/zinc/28/85/82/1125288582.db2.gz UGEACNWNHDQMCY-INIZCTEOSA-N 2 1 328.456 3.749 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000093683903 1125288589 /nfs/dbraw/zinc/28/85/89/1125288589.db2.gz UGEACNWNHDQMCY-INIZCTEOSA-N 2 1 328.456 3.749 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000262254626 1125416556 /nfs/dbraw/zinc/41/65/56/1125416556.db2.gz QKMZHXVADXIUEO-BHIFYINESA-N 2 1 343.559 3.929 20 0 EHADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000765978233 1129383895 /nfs/dbraw/zinc/38/38/95/1129383895.db2.gz TYTOYBFMXYJJDD-LEWJYISDSA-N 2 1 346.515 3.769 20 0 EHADMP COc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C)CC3)cc2)cc1 ZINC000543393730 1129457319 /nfs/dbraw/zinc/45/73/19/1129457319.db2.gz IBUFFPRIKSMYNT-UHFFFAOYSA-N 2 1 326.440 3.671 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466475198 1129480623 /nfs/dbraw/zinc/48/06/23/1129480623.db2.gz SFOWMDUUUONAGK-UHFFFAOYSA-N 2 1 333.838 3.976 20 0 EHADMP C[C@H]([NH2+]CCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543463365 1129499635 /nfs/dbraw/zinc/49/96/35/1129499635.db2.gz KVQBOYJRWLFVGQ-HOTGVXAUSA-N 2 1 336.907 3.961 20 0 EHADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922730910 1129646269 /nfs/dbraw/zinc/64/62/69/1129646269.db2.gz ZDTVJRMODGYXKT-GVDBMIGSSA-N 2 1 338.417 3.972 20 0 EHADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922730910 1129646271 /nfs/dbraw/zinc/64/62/71/1129646271.db2.gz ZDTVJRMODGYXKT-GVDBMIGSSA-N 2 1 338.417 3.972 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664120 1129712502 /nfs/dbraw/zinc/71/25/02/1129712502.db2.gz MKFXJUWTCJONLA-XUVXKRRUSA-N 2 1 330.516 3.834 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664120 1129712506 /nfs/dbraw/zinc/71/25/06/1129712506.db2.gz MKFXJUWTCJONLA-XUVXKRRUSA-N 2 1 330.516 3.834 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000126218278 1129740773 /nfs/dbraw/zinc/74/07/73/1129740773.db2.gz OOJGWYJTDNYYRM-UHFFFAOYSA-N 2 1 332.488 3.606 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCc1nccs1 ZINC000347843980 1129915424 /nfs/dbraw/zinc/91/54/24/1129915424.db2.gz VYSZCJLBKATYFZ-UHFFFAOYSA-N 2 1 331.529 3.824 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123764 1130356339 /nfs/dbraw/zinc/35/63/39/1130356339.db2.gz RPERDKTWALRHGQ-ZBFHGGJFSA-N 2 1 326.456 3.917 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123764 1130356345 /nfs/dbraw/zinc/35/63/45/1130356345.db2.gz RPERDKTWALRHGQ-ZBFHGGJFSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123764 1130356353 /nfs/dbraw/zinc/35/63/53/1130356353.db2.gz RPERDKTWALRHGQ-ZBFHGGJFSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123764 1130356357 /nfs/dbraw/zinc/35/63/57/1130356357.db2.gz RPERDKTWALRHGQ-ZBFHGGJFSA-N 2 1 326.456 3.917 20 0 EHADMP Cc1cc(Br)c(Cl)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205058074 1130390074 /nfs/dbraw/zinc/39/00/74/1130390074.db2.gz DWDWOKDDVBYETI-UHFFFAOYSA-N 2 1 331.685 3.582 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000675882594 1130501482 /nfs/dbraw/zinc/50/14/82/1130501482.db2.gz SJAZKLCTKBGUAF-XLIONFOSSA-N 2 1 328.500 3.642 20 0 EHADMP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166694214 1130595243 /nfs/dbraw/zinc/59/52/43/1130595243.db2.gz ZLXZYLQOTCCIOV-IXDOHACOSA-N 2 1 333.907 3.525 20 0 EHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000166621644 1130595270 /nfs/dbraw/zinc/59/52/70/1130595270.db2.gz IWSOWRVGMSBLFB-SJBKTWHCSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000166621644 1130595271 /nfs/dbraw/zinc/59/52/71/1130595271.db2.gz IWSOWRVGMSBLFB-SJBKTWHCSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000347972687 1131099489 /nfs/dbraw/zinc/09/94/89/1131099489.db2.gz YMKFCQGRMGFXJY-SQNIBIBYSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000347972687 1131099496 /nfs/dbraw/zinc/09/94/96/1131099496.db2.gz YMKFCQGRMGFXJY-SQNIBIBYSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(O)CCCCCC2)cc1 ZINC000348035237 1131133027 /nfs/dbraw/zinc/13/30/27/1131133027.db2.gz DFJAJKBRYXQIEA-INIZCTEOSA-N 2 1 327.472 3.917 20 0 EHADMP CCOCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172426036 1131723417 /nfs/dbraw/zinc/72/34/17/1131723417.db2.gz GOUYHJUTZBWEHQ-PZJWPPBQSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172426036 1131723420 /nfs/dbraw/zinc/72/34/20/1131723420.db2.gz GOUYHJUTZBWEHQ-PZJWPPBQSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172426036 1131723424 /nfs/dbraw/zinc/72/34/24/1131723424.db2.gz GOUYHJUTZBWEHQ-PZJWPPBQSA-N 2 1 330.516 3.790 20 0 EHADMP CC[C@H](CC(C)C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001172397051 1131731183 /nfs/dbraw/zinc/73/11/83/1131731183.db2.gz XWWKCLBLMHNOIT-MOPGFXCFSA-N 2 1 334.504 3.642 20 0 EHADMP CC1(C)CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)O1 ZINC001172647219 1131799588 /nfs/dbraw/zinc/79/95/88/1131799588.db2.gz XIMDAZYEHCTCSN-UHFFFAOYSA-N 2 1 330.516 3.977 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172772573 1131841832 /nfs/dbraw/zinc/84/18/32/1131841832.db2.gz MTKAZWDAGOMZMW-ZWKOTPCHSA-N 2 1 326.525 3.600 20 0 EHADMP Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)CC2)cc[nH+]1 ZINC001172873970 1131893024 /nfs/dbraw/zinc/89/30/24/1131893024.db2.gz YQFWDKZIXVJYCQ-HNNXBMFYSA-N 2 1 347.865 3.936 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001173086064 1131964602 /nfs/dbraw/zinc/96/46/02/1131964602.db2.gz MBXZVKAXHJCXGE-LRVUVFPRSA-N 2 1 330.394 3.718 20 0 EHADMP CCCc1noc([C@H]2CCC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)n1 ZINC001173112459 1131969977 /nfs/dbraw/zinc/96/99/77/1131969977.db2.gz BJJNSGVICIJYKK-AOCRQIFASA-N 2 1 348.535 3.855 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)CC1 ZINC001173116977 1131971258 /nfs/dbraw/zinc/97/12/58/1131971258.db2.gz GNWBAQGGMZCVTP-MHJFOBGBSA-N 2 1 345.531 3.886 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)CCN(C)Cc2ccccc2)CC1 ZINC001173113881 1131971759 /nfs/dbraw/zinc/97/17/59/1131971759.db2.gz NQOFIPPCNIKQSF-UHFFFAOYSA-N 2 1 331.548 3.703 20 0 EHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cn2)c1C ZINC001206196348 1132013265 /nfs/dbraw/zinc/01/32/65/1132013265.db2.gz BMMRJDBXNQWSDI-OALUTQOASA-N 2 1 327.447 3.627 20 0 EHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cn2)c1C ZINC001206196348 1132013270 /nfs/dbraw/zinc/01/32/70/1132013270.db2.gz BMMRJDBXNQWSDI-OALUTQOASA-N 2 1 327.447 3.627 20 0 EHADMP CC[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279021 1132038835 /nfs/dbraw/zinc/03/88/35/1132038835.db2.gz OAIOALXQEIRADQ-SSTJLMRISA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279021 1132038844 /nfs/dbraw/zinc/03/88/44/1132038844.db2.gz OAIOALXQEIRADQ-SSTJLMRISA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)C1 ZINC001173279021 1132038850 /nfs/dbraw/zinc/03/88/50/1132038850.db2.gz OAIOALXQEIRADQ-SSTJLMRISA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1 ZINC001173279021 1132038857 /nfs/dbraw/zinc/03/88/57/1132038857.db2.gz OAIOALXQEIRADQ-SSTJLMRISA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)C1 ZINC001173284639 1132043143 /nfs/dbraw/zinc/04/31/43/1132043143.db2.gz RGRWUOFWSVERCT-OXQOHEQNSA-N 2 1 344.499 3.606 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([N@@H+](C)C3CCC([NH3+])CC3)CC2)cc1 ZINC001173783534 1132147322 /nfs/dbraw/zinc/14/73/22/1132147322.db2.gz BCPJRGMJECNZEX-UHFFFAOYSA-N 2 1 344.499 3.840 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC001173793269 1132150389 /nfs/dbraw/zinc/15/03/89/1132150389.db2.gz UYZNSCTUSGGSKM-VBUZLMFOSA-N 2 1 344.499 3.568 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CC2)cc1 ZINC001173793269 1132150393 /nfs/dbraw/zinc/15/03/93/1132150393.db2.gz UYZNSCTUSGGSKM-VBUZLMFOSA-N 2 1 344.499 3.568 20 0 EHADMP Cc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2[nH+]1 ZINC001174443970 1132361609 /nfs/dbraw/zinc/36/16/09/1132361609.db2.gz NKIZDENTAVZBAG-UHFFFAOYSA-N 2 1 333.435 3.541 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)C2 ZINC001169094412 1132653416 /nfs/dbraw/zinc/65/34/16/1132653416.db2.gz LJRRHVYSCGDXMY-PVIWCNJMSA-N 2 1 335.495 3.643 20 0 EHADMP COc1ccccc1CC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169129188 1132666746 /nfs/dbraw/zinc/66/67/46/1132666746.db2.gz HVIKAZLMENOMCP-ACDBMABISA-N 2 1 328.500 3.575 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(Cl)c3)CC1)C2 ZINC001169111811 1132671590 /nfs/dbraw/zinc/67/15/90/1132671590.db2.gz POIYLZURMAAYBS-OWZKRDHZSA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141398 1132673898 /nfs/dbraw/zinc/67/38/98/1132673898.db2.gz QHPHUKNPZPXMNB-YRPNKDGESA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141398 1132673902 /nfs/dbraw/zinc/67/39/02/1132673902.db2.gz QHPHUKNPZPXMNB-YRPNKDGESA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141398 1132673907 /nfs/dbraw/zinc/67/39/07/1132673907.db2.gz QHPHUKNPZPXMNB-YRPNKDGESA-N 2 1 348.918 3.946 20 0 EHADMP CC1(C)C[C@@H](Nc2[nH+]cccc2C2CCOCC2)C[C@](C)(C[NH3+])C1 ZINC001169149121 1132677919 /nfs/dbraw/zinc/67/79/19/1132677919.db2.gz YBVQXXBDWKAUES-UZLBHIALSA-N 2 1 331.504 3.931 20 0 EHADMP Cc1cc([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1N1CCOCC1 ZINC001169151321 1132679100 /nfs/dbraw/zinc/67/91/00/1132679100.db2.gz ILYBZTQSXXLTHZ-RXVVDRJESA-N 2 1 345.531 3.787 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)OC(C)(C)c2ccccc23)CC1 ZINC001169265283 1132705504 /nfs/dbraw/zinc/70/55/04/1132705504.db2.gz NZVOBEVSYKLXOR-UHFFFAOYSA-N 2 1 328.500 3.727 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(Cc3ccccn3)CCC(F)(F)CC2)CC1 ZINC001169239076 1132706273 /nfs/dbraw/zinc/70/62/73/1132706273.db2.gz QJGQMGHEYGNKLU-UHFFFAOYSA-N 2 1 337.458 3.646 20 0 EHADMP CC(C)[C@H](CO)[NH2+]C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001177038912 1133025205 /nfs/dbraw/zinc/02/52/05/1133025205.db2.gz LEERAHVHROTAQR-VXKWHMMOSA-N 2 1 340.511 3.509 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]Cc1cccc3ncccc13)C2 ZINC001177245532 1133045041 /nfs/dbraw/zinc/04/50/41/1133045041.db2.gz VQRQAONWNUXMIJ-UHFFFAOYSA-N 2 1 331.463 3.773 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1cccc3ncccc13)C2 ZINC001177245532 1133045043 /nfs/dbraw/zinc/04/50/43/1133045043.db2.gz VQRQAONWNUXMIJ-UHFFFAOYSA-N 2 1 331.463 3.773 20 0 EHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483598 1133068860 /nfs/dbraw/zinc/06/88/60/1133068860.db2.gz ZFOSYHZIDGNLEC-SFHLNBCPSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483598 1133068865 /nfs/dbraw/zinc/06/88/65/1133068865.db2.gz ZFOSYHZIDGNLEC-SFHLNBCPSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177483598 1133068867 /nfs/dbraw/zinc/06/88/67/1133068867.db2.gz ZFOSYHZIDGNLEC-SFHLNBCPSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177483598 1133068870 /nfs/dbraw/zinc/06/88/70/1133068870.db2.gz ZFOSYHZIDGNLEC-SFHLNBCPSA-N 2 1 343.559 3.922 20 0 EHADMP COc1cccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1OC(F)F ZINC001178445434 1133165161 /nfs/dbraw/zinc/16/51/61/1133165161.db2.gz ZIHIVVGIWYHWFP-UHFFFAOYSA-N 2 1 342.430 3.508 20 0 EHADMP C[C@H](CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001178463615 1133170904 /nfs/dbraw/zinc/17/09/04/1133170904.db2.gz RZHVDXORYYPICJ-SVFBPWRDSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146589 1133231653 /nfs/dbraw/zinc/23/16/53/1133231653.db2.gz AIIHYLGHDYFQDF-FPOVZHCZSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146589 1133231659 /nfs/dbraw/zinc/23/16/59/1133231659.db2.gz AIIHYLGHDYFQDF-FPOVZHCZSA-N 2 1 343.559 3.750 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001179338581 1133246375 /nfs/dbraw/zinc/24/63/75/1133246375.db2.gz KCTBDUQHYVJIIK-GHTZIAJQSA-N 2 1 338.495 3.861 20 0 EHADMP Cc1c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)sc2nc(C)nc(C)c12 ZINC000769483398 1133289446 /nfs/dbraw/zinc/28/94/46/1133289446.db2.gz PWAYOEGEJMAJTK-MRXNPFEDSA-N 2 1 346.544 3.923 20 0 EHADMP Cc1c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)sc2nc(C)nc(C)c12 ZINC000769483398 1133289449 /nfs/dbraw/zinc/28/94/49/1133289449.db2.gz PWAYOEGEJMAJTK-MRXNPFEDSA-N 2 1 346.544 3.923 20 0 EHADMP Cc1c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)sc2nc(C)nc(C)c12 ZINC000769483398 1133289452 /nfs/dbraw/zinc/28/94/52/1133289452.db2.gz PWAYOEGEJMAJTK-MRXNPFEDSA-N 2 1 346.544 3.923 20 0 EHADMP Cc1c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)sc2nc(C)nc(C)c12 ZINC000769483398 1133289457 /nfs/dbraw/zinc/28/94/57/1133289457.db2.gz PWAYOEGEJMAJTK-MRXNPFEDSA-N 2 1 346.544 3.923 20 0 EHADMP FC(F)COc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001179877543 1133298191 /nfs/dbraw/zinc/29/81/91/1133298191.db2.gz HCYPDRPQCALCAB-MRXNPFEDSA-N 2 1 338.442 3.638 20 0 EHADMP FC(F)COc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001179877543 1133298194 /nfs/dbraw/zinc/29/81/94/1133298194.db2.gz HCYPDRPQCALCAB-MRXNPFEDSA-N 2 1 338.442 3.638 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769502820 1133303664 /nfs/dbraw/zinc/30/36/64/1133303664.db2.gz ACVLWLDBXUTGFO-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769502820 1133303668 /nfs/dbraw/zinc/30/36/68/1133303668.db2.gz ACVLWLDBXUTGFO-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC001181435685 1133492226 /nfs/dbraw/zinc/49/22/26/1133492226.db2.gz HDSUVLCDFBWORC-HOJAQTOUSA-N 2 1 335.580 3.740 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC001181514568 1133496469 /nfs/dbraw/zinc/49/64/69/1133496469.db2.gz KWLZDVXSXSJZDL-HXUWFJFHSA-N 2 1 330.516 3.948 20 0 EHADMP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001181864741 1133542598 /nfs/dbraw/zinc/54/25/98/1133542598.db2.gz GBBJJIWINQZEQZ-UHFFFAOYSA-N 2 1 345.531 3.946 20 0 EHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CCC(C)C ZINC001182424407 1133654325 /nfs/dbraw/zinc/65/43/25/1133654325.db2.gz TXBGYYWUKUSMNW-HMXCVIKNSA-N 2 1 332.532 3.938 20 0 EHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CCC(C)C ZINC001182424407 1133654327 /nfs/dbraw/zinc/65/43/27/1133654327.db2.gz TXBGYYWUKUSMNW-HMXCVIKNSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001205254982 1133766638 /nfs/dbraw/zinc/76/66/38/1133766638.db2.gz DAQNRMAMUJBPJC-MRXNPFEDSA-N 2 1 325.294 3.585 20 0 EHADMP COC(OC)[C@@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183363997 1133794804 /nfs/dbraw/zinc/79/48/04/1133794804.db2.gz REMOATBKDQOXSJ-DYESRHJHSA-N 2 1 348.531 3.522 20 0 EHADMP CSC1CC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001184265068 1133917602 /nfs/dbraw/zinc/91/76/02/1133917602.db2.gz OOZJVATYUITDRY-VXSNHJRBSA-N 2 1 330.541 3.771 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184387466 1133933643 /nfs/dbraw/zinc/93/36/43/1133933643.db2.gz KRXMODMSMREDEZ-NQZOLGFYSA-N 2 1 326.406 3.566 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000746675073 1133991833 /nfs/dbraw/zinc/99/18/33/1133991833.db2.gz ZLJRQSKCZDEOIM-LVCYWYKZSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000746675073 1133991837 /nfs/dbraw/zinc/99/18/37/1133991837.db2.gz ZLJRQSKCZDEOIM-LVCYWYKZSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000746675073 1133991842 /nfs/dbraw/zinc/99/18/42/1133991842.db2.gz ZLJRQSKCZDEOIM-LVCYWYKZSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000746675073 1133991847 /nfs/dbraw/zinc/99/18/47/1133991847.db2.gz ZLJRQSKCZDEOIM-LVCYWYKZSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000746675073 1133991852 /nfs/dbraw/zinc/99/18/52/1133991852.db2.gz ZLJRQSKCZDEOIM-LVCYWYKZSA-N 2 1 348.506 3.754 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CC1(Cl)Cl ZINC000787301590 1133992573 /nfs/dbraw/zinc/99/25/73/1133992573.db2.gz IRFDKGWAZLBJRA-WTTBNOFXSA-N 2 1 341.326 3.926 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000774964606 1134162138 /nfs/dbraw/zinc/16/21/38/1134162138.db2.gz GSKCZYSDABYLCK-UHFFFAOYSA-N 2 1 325.294 3.720 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000774989651 1134187087 /nfs/dbraw/zinc/18/70/87/1134187087.db2.gz JQDNTWSBLSPDBB-HNNXBMFYSA-N 2 1 339.321 3.968 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1Br ZINC001206036669 1134262916 /nfs/dbraw/zinc/26/29/16/1134262916.db2.gz NKJITAMAJHXBLP-STQMWFEESA-N 2 1 343.284 3.703 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]([C@@H]2CC[C@@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001170121771 1134344524 /nfs/dbraw/zinc/34/45/24/1134344524.db2.gz NZEBPKBVDXHFKX-HUYLIWGRSA-N 2 1 344.499 3.734 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001170140236 1134433776 /nfs/dbraw/zinc/43/37/76/1134433776.db2.gz WUSJUPBIWKIGSG-SQNIBIBYSA-N 2 1 332.488 3.524 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+]2CC)ccc1OC ZINC000775363936 1134666919 /nfs/dbraw/zinc/66/69/19/1134666919.db2.gz KQZUQEOSUVBPCU-XLIONFOSSA-N 3 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CCC[N@H+]2CC)ccc1OC ZINC000775363936 1134666921 /nfs/dbraw/zinc/66/69/21/1134666921.db2.gz KQZUQEOSUVBPCU-XLIONFOSSA-N 3 1 347.547 3.672 20 0 EHADMP CC[C@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001170206679 1134705330 /nfs/dbraw/zinc/70/53/30/1134705330.db2.gz ADBWLKKCMUJXGE-MSOLQXFVSA-N 2 1 348.556 3.994 20 0 EHADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194244 1134710239 /nfs/dbraw/zinc/71/02/39/1134710239.db2.gz NMFSLVXXEJKOND-MKXGPGLRSA-N 2 1 334.479 3.855 20 0 EHADMP CCCc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC001190770745 1134748975 /nfs/dbraw/zinc/74/89/75/1134748975.db2.gz SGXTZIUAHIVUAQ-PMACEKPBSA-N 2 1 343.559 3.630 20 0 EHADMP c1cc2c(nc[nH+]c2N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC001170330693 1134750554 /nfs/dbraw/zinc/75/05/54/1134750554.db2.gz QUSVLBZYTYHQMZ-OSYLJGHBSA-N 2 1 333.439 3.565 20 0 EHADMP c1cc2c(nc[nH+]c2N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC001170330693 1134750560 /nfs/dbraw/zinc/75/05/60/1134750560.db2.gz QUSVLBZYTYHQMZ-OSYLJGHBSA-N 2 1 333.439 3.565 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001170428423 1134884421 /nfs/dbraw/zinc/88/44/21/1134884421.db2.gz INKYZPPPKOZCRQ-SJLPKXTDSA-N 2 1 332.488 3.577 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600280 1134894682 /nfs/dbraw/zinc/89/46/82/1134894682.db2.gz DMHAEPOPJUQWII-WMLDXEAASA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600280 1134894688 /nfs/dbraw/zinc/89/46/88/1134894688.db2.gz DMHAEPOPJUQWII-WMLDXEAASA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600280 1134894692 /nfs/dbraw/zinc/89/46/92/1134894692.db2.gz DMHAEPOPJUQWII-WMLDXEAASA-N 2 1 339.321 3.654 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205601394 1135023441 /nfs/dbraw/zinc/02/34/41/1135023441.db2.gz FDMFBZHQLDJIJI-MSOLQXFVSA-N 2 1 326.525 3.587 20 0 EHADMP C[NH+](C)Cc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1Cl ZINC000794223692 1135030219 /nfs/dbraw/zinc/03/02/19/1135030219.db2.gz ZUNTXMJYTNZMPW-UHFFFAOYSA-N 2 1 337.895 3.606 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)CC[C@H]1C[NH3+] ZINC001205616220 1135071524 /nfs/dbraw/zinc/07/15/24/1135071524.db2.gz DPAULZCVKCTFEJ-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)CC[C@H]1C[NH3+] ZINC001205616220 1135071528 /nfs/dbraw/zinc/07/15/28/1135071528.db2.gz DPAULZCVKCTFEJ-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP CC[C@@H](O)C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194942071 1135345195 /nfs/dbraw/zinc/34/51/95/1135345195.db2.gz KNOPABINSJIOOT-YADHBBJMSA-N 2 1 344.543 3.914 20 0 EHADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912280 1135490181 /nfs/dbraw/zinc/49/01/81/1135490181.db2.gz YRDTXWPNOKQXKE-IRLDBZIGSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912280 1135490182 /nfs/dbraw/zinc/49/01/82/1135490182.db2.gz YRDTXWPNOKQXKE-IRLDBZIGSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912280 1135490185 /nfs/dbraw/zinc/49/01/85/1135490185.db2.gz YRDTXWPNOKQXKE-IRLDBZIGSA-N 2 1 346.559 3.694 20 0 EHADMP CCOCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738713 1135882642 /nfs/dbraw/zinc/88/26/42/1135882642.db2.gz GHXNJKALBFRCPQ-UHFFFAOYSA-N 2 1 342.483 3.753 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000809738712 1135882719 /nfs/dbraw/zinc/88/27/19/1135882719.db2.gz GHBJSWSEJQMJQP-UHFFFAOYSA-N 2 1 338.455 3.672 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3CCCC(C)(C)C3)cc2)CC1 ZINC001199275544 1135896128 /nfs/dbraw/zinc/89/61/28/1135896128.db2.gz KDMIQCKZSQHJRJ-NRFANRHFSA-N 2 1 343.559 3.740 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001199421036 1135903152 /nfs/dbraw/zinc/90/31/52/1135903152.db2.gz SPPXIXHPEAYKMT-FXAWDEMLSA-N 2 1 329.532 3.674 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201504011 1136029254 /nfs/dbraw/zinc/02/92/54/1136029254.db2.gz TZXSXRLYELVIJK-SJORKVTESA-N 2 1 336.545 3.850 20 0 EHADMP CCC(CC)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201526342 1136038537 /nfs/dbraw/zinc/03/85/37/1136038537.db2.gz YBFHSWBKTNEMLP-GOSISDBHSA-N 2 1 334.504 3.771 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001201557137 1136040048 /nfs/dbraw/zinc/04/00/48/1136040048.db2.gz GGQPHSSCCNDQSR-SFHVURJKSA-N 2 1 340.515 3.843 20 0 EHADMP c1csc(CN2C[C@@H]3C[N@@H+](CCCc4ccccc4)C[C@@H]3C2)c1 ZINC001201655058 1136052422 /nfs/dbraw/zinc/05/24/22/1136052422.db2.gz LFXCHRCZPYWPKB-KDURUIRLSA-N 2 1 326.509 3.745 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CCCc4ccccc4)C[C@H]3C2)c1 ZINC001201655058 1136052423 /nfs/dbraw/zinc/05/24/23/1136052423.db2.gz LFXCHRCZPYWPKB-KDURUIRLSA-N 2 1 326.509 3.745 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CCCc4ccccc4)C[C@H]3C2)c1 ZINC001201655058 1136052426 /nfs/dbraw/zinc/05/24/26/1136052426.db2.gz LFXCHRCZPYWPKB-KDURUIRLSA-N 2 1 326.509 3.745 20 0 EHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CCCc4ccccc4)C[C@H]3C2)c1 ZINC001201655058 1136052429 /nfs/dbraw/zinc/05/24/29/1136052429.db2.gz LFXCHRCZPYWPKB-KDURUIRLSA-N 2 1 326.509 3.745 20 0 EHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CCCc4ccccc4)C[C@H]3C2)c1 ZINC001201655058 1136052433 /nfs/dbraw/zinc/05/24/33/1136052433.db2.gz LFXCHRCZPYWPKB-KDURUIRLSA-N 2 1 326.509 3.745 20 0 EHADMP CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201750343 1136058547 /nfs/dbraw/zinc/05/85/47/1136058547.db2.gz JVZDFRXJEYZSJM-HKBOAZHASA-N 2 1 344.547 3.638 20 0 EHADMP CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201750343 1136058550 /nfs/dbraw/zinc/05/85/50/1136058550.db2.gz JVZDFRXJEYZSJM-HKBOAZHASA-N 2 1 344.547 3.638 20 0 EHADMP CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201750343 1136058553 /nfs/dbraw/zinc/05/85/53/1136058553.db2.gz JVZDFRXJEYZSJM-HKBOAZHASA-N 2 1 344.547 3.638 20 0 EHADMP C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCCC1)C2)C1CC1 ZINC001202161401 1136103244 /nfs/dbraw/zinc/10/32/44/1136103244.db2.gz UACMDVFMNNHIHI-YADHBBJMSA-N 2 1 346.559 3.637 20 0 EHADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001202161401 1136103247 /nfs/dbraw/zinc/10/32/47/1136103247.db2.gz UACMDVFMNNHIHI-YADHBBJMSA-N 2 1 346.559 3.637 20 0 EHADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001202161401 1136103249 /nfs/dbraw/zinc/10/32/49/1136103249.db2.gz UACMDVFMNNHIHI-YADHBBJMSA-N 2 1 346.559 3.637 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC3SCCS3)CC23CC3)cc1 ZINC000850407614 1136251507 /nfs/dbraw/zinc/25/15/07/1136251507.db2.gz LHHBVTWIJVFUCZ-KRWDZBQOSA-N 2 1 348.581 3.969 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3SCCS3)CC23CC3)cc1 ZINC000850407614 1136251509 /nfs/dbraw/zinc/25/15/09/1136251509.db2.gz LHHBVTWIJVFUCZ-KRWDZBQOSA-N 2 1 348.581 3.969 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850528698 1136279004 /nfs/dbraw/zinc/27/90/04/1136279004.db2.gz MNFCKVIDGDFTIA-MZTRBVECSA-N 2 1 336.479 3.665 20 0 EHADMP COCC(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790240 1136362987 /nfs/dbraw/zinc/36/29/87/1136362987.db2.gz KXPXRXOXKLWYOY-IHWFROFDSA-N 2 1 330.516 3.834 20 0 EHADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000851813203 1136410590 /nfs/dbraw/zinc/41/05/90/1136410590.db2.gz QOAINMPWLQPCJP-BURNTYAHSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000851813203 1136410592 /nfs/dbraw/zinc/41/05/92/1136410592.db2.gz QOAINMPWLQPCJP-BURNTYAHSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000851813203 1136410594 /nfs/dbraw/zinc/41/05/94/1136410594.db2.gz QOAINMPWLQPCJP-BURNTYAHSA-N 2 1 328.500 3.540 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@H]1C ZINC000338948508 1136468531 /nfs/dbraw/zinc/46/85/31/1136468531.db2.gz NLLYDOKKMMKEKI-YLJYHZDGSA-N 2 1 340.515 3.700 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815057255 1136541701 /nfs/dbraw/zinc/54/17/01/1136541701.db2.gz MUYTVYTUFNUNLQ-NRFANRHFSA-N 2 1 326.484 3.679 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1SC(F)F ZINC000854222297 1136599099 /nfs/dbraw/zinc/59/90/99/1136599099.db2.gz DIYQXAJPPZUENC-LLVKDONJSA-N 2 1 330.444 3.932 20 0 EHADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000854223278 1136599185 /nfs/dbraw/zinc/59/91/85/1136599185.db2.gz SAUKTYITSKXRME-YLFCFFPRSA-N 2 1 326.406 3.843 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2C)[C@H](C)C1 ZINC000815580404 1136614227 /nfs/dbraw/zinc/61/42/27/1136614227.db2.gz JSDSAJQRWJGUOO-HLIPFELVSA-N 2 1 336.495 3.922 20 0 EHADMP CC(C)C[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604540 1136798207 /nfs/dbraw/zinc/79/82/07/1136798207.db2.gz OWNCTVCXUYEDCL-XLIONFOSSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604540 1136798210 /nfs/dbraw/zinc/79/82/10/1136798210.db2.gz OWNCTVCXUYEDCL-XLIONFOSSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604540 1136798213 /nfs/dbraw/zinc/79/82/13/1136798213.db2.gz OWNCTVCXUYEDCL-XLIONFOSSA-N 2 1 333.520 3.810 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776127 1136809623 /nfs/dbraw/zinc/80/96/23/1136809623.db2.gz ASNLWOLBPVKYOE-SECBINFHSA-N 2 1 332.757 3.610 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000429538048 1136820506 /nfs/dbraw/zinc/82/05/06/1136820506.db2.gz OJNBOJBMTMHTLE-AWEZNQCLSA-N 2 1 330.394 3.500 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000429538048 1136820503 /nfs/dbraw/zinc/82/05/03/1136820503.db2.gz OJNBOJBMTMHTLE-AWEZNQCLSA-N 2 1 330.394 3.500 20 0 EHADMP C[C@]1(C[NH2+][C@H]2CCc3cccnc3CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000817584137 1136824760 /nfs/dbraw/zinc/82/47/60/1136824760.db2.gz SGJXFNFMSGYTPW-JTHBVZDNSA-N 2 1 349.522 3.831 20 0 EHADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC(C)C ZINC000817898841 1136844230 /nfs/dbraw/zinc/84/42/30/1136844230.db2.gz BPRAVQJBOHBQQS-QFBILLFUSA-N 2 1 342.483 3.531 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)ccc1OC ZINC000817981590 1136855113 /nfs/dbraw/zinc/85/51/13/1136855113.db2.gz LRRUBNFAHADDDV-JXFKEZNVSA-N 2 1 347.547 3.705 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000818960684 1136891373 /nfs/dbraw/zinc/89/13/73/1136891373.db2.gz GFRAVOCHEWXVAP-HXUWFJFHSA-N 2 1 348.437 3.628 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000818960763 1136891542 /nfs/dbraw/zinc/89/15/42/1136891542.db2.gz JAVUVZWRGAAFEB-OAQYLSRUSA-N 2 1 326.484 3.658 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000818962778 1136891680 /nfs/dbraw/zinc/89/16/80/1136891680.db2.gz YHPVGYZFXAWTSE-LJQANCHMSA-N 2 1 348.437 3.628 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000818959787 1136895735 /nfs/dbraw/zinc/89/57/35/1136895735.db2.gz SZXCBPQBRJBWFV-GCJKJVERSA-N 2 1 338.495 3.742 20 0 EHADMP c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000857852311 1136913681 /nfs/dbraw/zinc/91/36/81/1136913681.db2.gz YFFZPDIYPXIULE-HXUWFJFHSA-N 2 1 338.499 3.953 20 0 EHADMP c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000857852311 1136913683 /nfs/dbraw/zinc/91/36/83/1136913683.db2.gz YFFZPDIYPXIULE-HXUWFJFHSA-N 2 1 338.499 3.953 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C1 ZINC000858097454 1136939676 /nfs/dbraw/zinc/93/96/76/1136939676.db2.gz MYPGXDOINLSMIR-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC000858101618 1136939949 /nfs/dbraw/zinc/93/99/49/1136939949.db2.gz DJQRSEHQSRPRPS-IBGZPJMESA-N 2 1 329.532 3.682 20 0 EHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000858397106 1136964514 /nfs/dbraw/zinc/96/45/14/1136964514.db2.gz IZCWARIASWPKMK-MJGOQNOKSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397106 1136964517 /nfs/dbraw/zinc/96/45/17/1136964517.db2.gz IZCWARIASWPKMK-MJGOQNOKSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397106 1136964520 /nfs/dbraw/zinc/96/45/20/1136964520.db2.gz IZCWARIASWPKMK-MJGOQNOKSA-N 2 1 345.531 3.692 20 0 EHADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214573 1137008219 /nfs/dbraw/zinc/00/82/19/1137008219.db2.gz PKMGHWDKXPZODV-QGZVFWFLSA-N 2 1 339.483 3.516 20 0 EHADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214573 1137008221 /nfs/dbraw/zinc/00/82/21/1137008221.db2.gz PKMGHWDKXPZODV-QGZVFWFLSA-N 2 1 339.483 3.516 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@@H+]1C ZINC000266025270 1137097441 /nfs/dbraw/zinc/09/74/41/1137097441.db2.gz YEZCNZWPUZPJTF-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@H+]1C ZINC000266025270 1137097442 /nfs/dbraw/zinc/09/74/42/1137097442.db2.gz YEZCNZWPUZPJTF-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025270 1137097443 /nfs/dbraw/zinc/09/74/43/1137097443.db2.gz YEZCNZWPUZPJTF-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025270 1137097444 /nfs/dbraw/zinc/09/74/44/1137097444.db2.gz YEZCNZWPUZPJTF-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP Cc1c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862290613 1137137535 /nfs/dbraw/zinc/13/75/35/1137137535.db2.gz APCWVDBCPBMIGX-VQIMIIECSA-N 2 1 341.474 3.919 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824988574 1137161411 /nfs/dbraw/zinc/16/14/11/1137161411.db2.gz NUFXMVOKQCOLQM-RJCAOGMDSA-N 2 1 337.305 3.595 20 0 EHADMP COC1(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000339057219 1137189984 /nfs/dbraw/zinc/18/99/84/1137189984.db2.gz BXDZKZNONISGSY-UHFFFAOYSA-N 2 1 342.527 3.934 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000863544911 1137191455 /nfs/dbraw/zinc/19/14/55/1137191455.db2.gz DIUCMECGBGBBFQ-ZEXAPNKDSA-N 2 1 330.516 3.670 20 0 EHADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171111529 1137204861 /nfs/dbraw/zinc/20/48/61/1137204861.db2.gz SNWGKWWTXINHGW-IBGZPJMESA-N 2 1 341.886 3.542 20 0 EHADMP C[N@@H+](Cc1ccc2cc[nH]c2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001144186049 1137250955 /nfs/dbraw/zinc/25/09/55/1137250955.db2.gz OJKHPQQVQFSKHS-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[N@H+](Cc1ccc2cc[nH]c2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001144186049 1137250956 /nfs/dbraw/zinc/25/09/56/1137250956.db2.gz OJKHPQQVQFSKHS-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2cc[nH]c2n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144186049 1137250958 /nfs/dbraw/zinc/25/09/58/1137250958.db2.gz OJKHPQQVQFSKHS-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2cc[nH]c2n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144186049 1137250960 /nfs/dbraw/zinc/25/09/60/1137250960.db2.gz OJKHPQQVQFSKHS-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001144219408 1137253295 /nfs/dbraw/zinc/25/32/95/1137253295.db2.gz WEZSKOWVGHDZCF-UHFFFAOYSA-N 2 1 325.294 3.675 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001144219408 1137253297 /nfs/dbraw/zinc/25/32/97/1137253297.db2.gz WEZSKOWVGHDZCF-UHFFFAOYSA-N 2 1 325.294 3.675 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)c(OC)c1 ZINC001144233576 1137257898 /nfs/dbraw/zinc/25/78/98/1137257898.db2.gz IFXRPEYKOFHPMA-UHFFFAOYSA-N 2 1 343.309 3.621 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)c(OC)c1 ZINC001144233576 1137257900 /nfs/dbraw/zinc/25/79/00/1137257900.db2.gz IFXRPEYKOFHPMA-UHFFFAOYSA-N 2 1 343.309 3.621 20 0 EHADMP CCc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001144318960 1137273717 /nfs/dbraw/zinc/27/37/17/1137273717.db2.gz QHGMOOJSBGZLGU-OALUTQOASA-N 2 1 326.509 3.874 20 0 EHADMP CCc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001144318959 1137273868 /nfs/dbraw/zinc/27/38/68/1137273868.db2.gz QHGMOOJSBGZLGU-KDURUIRLSA-N 2 1 326.509 3.874 20 0 EHADMP CCc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001144318959 1137273870 /nfs/dbraw/zinc/27/38/70/1137273870.db2.gz QHGMOOJSBGZLGU-KDURUIRLSA-N 2 1 326.509 3.874 20 0 EHADMP CCc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001144318959 1137273871 /nfs/dbraw/zinc/27/38/71/1137273871.db2.gz QHGMOOJSBGZLGU-KDURUIRLSA-N 2 1 326.509 3.874 20 0 EHADMP CCc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001144318959 1137273873 /nfs/dbraw/zinc/27/38/73/1137273873.db2.gz QHGMOOJSBGZLGU-KDURUIRLSA-N 2 1 326.509 3.874 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000865404969 1137280236 /nfs/dbraw/zinc/28/02/36/1137280236.db2.gz BFYIGKPAWJEVCB-UHFFFAOYSA-N 2 1 339.439 3.665 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000865474676 1137286958 /nfs/dbraw/zinc/28/69/58/1137286958.db2.gz ANESIHBYLMFVEL-UHFFFAOYSA-N 2 1 345.340 3.799 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865476087 1137287276 /nfs/dbraw/zinc/28/72/76/1137287276.db2.gz TVTLHZGXYWGXFA-UHFFFAOYSA-N 2 1 327.350 3.502 20 0 EHADMP c1ccc(C[NH+]2CCC(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000865717968 1137306579 /nfs/dbraw/zinc/30/65/79/1137306579.db2.gz QJRUDUNXFHNLDI-FCHUYYIVSA-N 3 1 341.543 3.505 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccccc3F)CCC2)s1 ZINC000845998795 1137324299 /nfs/dbraw/zinc/32/42/99/1137324299.db2.gz YJAOEBUWHQVERO-UHFFFAOYSA-N 2 1 333.476 3.555 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866240407 1137338040 /nfs/dbraw/zinc/33/80/40/1137338040.db2.gz DZQDQVLILRUUTE-MSOLQXFVSA-N 2 1 325.500 3.877 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000846218824 1137342085 /nfs/dbraw/zinc/34/20/85/1137342085.db2.gz XVQIHKGMXNLHIC-MRXNPFEDSA-N 2 1 346.450 3.574 20 0 EHADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000866399288 1137351853 /nfs/dbraw/zinc/35/18/53/1137351853.db2.gz REPVSAJOPRZOSJ-ROUUACIJSA-N 2 1 325.500 3.877 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000846853655 1137372298 /nfs/dbraw/zinc/37/22/98/1137372298.db2.gz GUVBSNKJHDJYSI-GXTWGEPZSA-N 2 1 325.859 3.617 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853655 1137372300 /nfs/dbraw/zinc/37/23/00/1137372300.db2.gz GUVBSNKJHDJYSI-GXTWGEPZSA-N 2 1 325.859 3.617 20 0 EHADMP Cc1ccc2c(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)cc(=O)oc2c1C ZINC000866706037 1137375055 /nfs/dbraw/zinc/37/50/55/1137375055.db2.gz FMKYAWQEXPDXGZ-OAQYLSRUSA-N 2 1 342.483 3.607 20 0 EHADMP C[N@@H+](CCC[NH3+])C1CCC(c2ccc(Br)cc2)CC1 ZINC001246680065 1137386585 /nfs/dbraw/zinc/38/65/85/1137386585.db2.gz GOKBDJNVTOULJT-UHFFFAOYSA-N 2 1 325.294 3.756 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)CCC[NH+]1CCCC1)CC2 ZINC001171321832 1137418556 /nfs/dbraw/zinc/41/85/56/1137418556.db2.gz QCLUKVPXNTWDJE-HNNXBMFYSA-N 2 1 336.907 3.624 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@H](C)C1 ZINC000282731796 1137442997 /nfs/dbraw/zinc/44/29/97/1137442997.db2.gz DORAZRDBVYWBDP-UTKZUKDTSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@H](C)C1 ZINC000282731796 1137442998 /nfs/dbraw/zinc/44/29/98/1137442998.db2.gz DORAZRDBVYWBDP-UTKZUKDTSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@H](C)C1 ZINC000282731796 1137443000 /nfs/dbraw/zinc/44/30/00/1137443000.db2.gz DORAZRDBVYWBDP-UTKZUKDTSA-N 2 1 340.515 3.558 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc1C ZINC000716651546 1137487880 /nfs/dbraw/zinc/48/78/80/1137487880.db2.gz PUEKCGDQISJXHQ-BVSLBCMMSA-N 2 1 335.495 3.841 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1C ZINC000716651546 1137487881 /nfs/dbraw/zinc/48/78/81/1137487881.db2.gz PUEKCGDQISJXHQ-BVSLBCMMSA-N 2 1 335.495 3.841 20 0 EHADMP Clc1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)s1 ZINC000716627625 1137487986 /nfs/dbraw/zinc/48/79/86/1137487986.db2.gz SAARTAIPJHXYNX-XHSDSOJGSA-N 2 1 347.915 3.939 20 0 EHADMP Clc1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716627625 1137487988 /nfs/dbraw/zinc/48/79/88/1137487988.db2.gz SAARTAIPJHXYNX-XHSDSOJGSA-N 2 1 347.915 3.939 20 0 EHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccn1 ZINC000716710585 1137488596 /nfs/dbraw/zinc/48/85/96/1137488596.db2.gz FJUBYKLKYBLNRB-VMXMFDLUSA-N 2 1 335.495 3.828 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716712766 1137488756 /nfs/dbraw/zinc/48/87/56/1137488756.db2.gz NGHPZMYWMHVVSF-ZGXWSNOMSA-N 2 1 328.500 3.587 20 0 EHADMP Clc1ccc(CCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171555186 1137497601 /nfs/dbraw/zinc/49/76/01/1137497601.db2.gz VUHZYURVHBOJCF-UHFFFAOYSA-N 2 1 329.875 3.880 20 0 EHADMP COc1cnccc1[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C1CC1 ZINC001171629145 1137499920 /nfs/dbraw/zinc/49/99/20/1137499920.db2.gz NQFDQCUJSJFBHL-SFHVURJKSA-N 2 1 331.504 3.782 20 0 EHADMP COC(=O)C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171614313 1137500608 /nfs/dbraw/zinc/50/06/08/1137500608.db2.gz XSMHBQSUPZTQFO-KRWDZBQOSA-N 2 1 332.488 3.532 20 0 EHADMP C[NH+]1C(C)(C)CC(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171620140 1137500907 /nfs/dbraw/zinc/50/09/07/1137500907.db2.gz VAGPQQRUUZZBMU-IBGZPJMESA-N 2 1 343.559 3.750 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171620140 1137500909 /nfs/dbraw/zinc/50/09/09/1137500909.db2.gz VAGPQQRUUZZBMU-IBGZPJMESA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171620140 1137500911 /nfs/dbraw/zinc/50/09/11/1137500911.db2.gz VAGPQQRUUZZBMU-IBGZPJMESA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CCC[N@@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001171638438 1137504710 /nfs/dbraw/zinc/50/47/10/1137504710.db2.gz XVWIABQBSLNIGD-UHFFFAOYSA-N 2 1 343.559 3.846 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCCN(Cc3ccccc3)CC2)CC1(C)C ZINC001171638438 1137504712 /nfs/dbraw/zinc/50/47/12/1137504712.db2.gz XVWIABQBSLNIGD-UHFFFAOYSA-N 2 1 343.559 3.846 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(Cc3ccccc3)CC2)CC1(C)C ZINC001171638438 1137504714 /nfs/dbraw/zinc/50/47/14/1137504714.db2.gz XVWIABQBSLNIGD-UHFFFAOYSA-N 2 1 343.559 3.846 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1(C)C ZINC001171640798 1137504741 /nfs/dbraw/zinc/50/47/41/1137504741.db2.gz JLDUUINUHZREKX-HDICACEKSA-N 2 1 341.543 3.706 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171755002 1137508305 /nfs/dbraw/zinc/50/83/05/1137508305.db2.gz KZYXROWWPAUAIY-SIKLNZKXSA-N 2 1 343.559 3.702 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171755001 1137508355 /nfs/dbraw/zinc/50/83/55/1137508355.db2.gz KZYXROWWPAUAIY-KNQAVFIVSA-N 2 1 343.559 3.702 20 0 EHADMP C[C@@H]1C[C@@H](N2CCCC[C@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754584 1137508364 /nfs/dbraw/zinc/50/83/64/1137508364.db2.gz GMGKXNDYVZPZQF-BAGYTPMASA-N 2 1 341.543 3.600 20 0 EHADMP COc1cccc2c(C[NH3+])cn([C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171734150 1137510280 /nfs/dbraw/zinc/51/02/80/1137510280.db2.gz MBQUNJLAHSAPIE-APWZRJJASA-N 2 1 349.478 3.944 20 0 EHADMP C[C@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738445 1137510800 /nfs/dbraw/zinc/51/08/00/1137510800.db2.gz JBBJPNCYNHDZOB-TYPHKJRUSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738445 1137510801 /nfs/dbraw/zinc/51/08/01/1137510801.db2.gz JBBJPNCYNHDZOB-TYPHKJRUSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738445 1137510802 /nfs/dbraw/zinc/51/08/02/1137510802.db2.gz JBBJPNCYNHDZOB-TYPHKJRUSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870868386 1137513716 /nfs/dbraw/zinc/51/37/16/1137513716.db2.gz FOGAVTJKTGIXAP-CALCHBBNSA-N 2 1 340.471 3.511 20 0 EHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001171920916 1137517174 /nfs/dbraw/zinc/51/71/74/1137517174.db2.gz DMLGBVQACZZADP-BFWZDYSYSA-N 2 1 338.536 3.595 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963922 1137520153 /nfs/dbraw/zinc/52/01/53/1137520153.db2.gz FVXVBDVKHXLWQM-GOSISDBHSA-N 2 1 346.515 3.751 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171970580 1137523538 /nfs/dbraw/zinc/52/35/38/1137523538.db2.gz DFVFQRDYEVBWCK-HSALFYBXSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccc3nccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC001171975340 1137524887 /nfs/dbraw/zinc/52/48/87/1137524887.db2.gz DPXOZFCBRNTOGT-HXUWFJFHSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccc3nccn3c2)CC[N@H+]1Cc1ccccc1 ZINC001171975340 1137524888 /nfs/dbraw/zinc/52/48/88/1137524888.db2.gz DPXOZFCBRNTOGT-HXUWFJFHSA-N 2 1 348.494 3.867 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976717 1137525366 /nfs/dbraw/zinc/52/53/66/1137525366.db2.gz MVUIPBVIABDUKV-YFVAEKQCSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976717 1137525367 /nfs/dbraw/zinc/52/53/67/1137525367.db2.gz MVUIPBVIABDUKV-YFVAEKQCSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976717 1137525368 /nfs/dbraw/zinc/52/53/68/1137525368.db2.gz MVUIPBVIABDUKV-YFVAEKQCSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171976981 1137525478 /nfs/dbraw/zinc/52/54/78/1137525478.db2.gz WEHBKYKQJGKZKM-HXUWFJFHSA-N 3 1 331.548 3.928 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC001171976981 1137525480 /nfs/dbraw/zinc/52/54/80/1137525480.db2.gz WEHBKYKQJGKZKM-HXUWFJFHSA-N 2 1 331.548 3.928 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978207 1137525842 /nfs/dbraw/zinc/52/58/42/1137525842.db2.gz XCNKQNRQLYXBNA-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978207 1137525843 /nfs/dbraw/zinc/52/58/43/1137525843.db2.gz XCNKQNRQLYXBNA-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978207 1137525844 /nfs/dbraw/zinc/52/58/44/1137525844.db2.gz XCNKQNRQLYXBNA-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978207 1137525846 /nfs/dbraw/zinc/52/58/46/1137525846.db2.gz XCNKQNRQLYXBNA-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@H]([NH2+]C23CCC(O)(CC2)CC3)CC[N@H+]1Cc1ccccc1 ZINC001171983501 1137527275 /nfs/dbraw/zinc/52/72/75/1137527275.db2.gz OLDRXDPFZBWUAU-JSRJAPPDSA-N 2 1 342.527 3.857 20 0 EHADMP [NH3+]CCCc1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080097 1137531009 /nfs/dbraw/zinc/53/10/09/1137531009.db2.gz SVTOXMUQQDLUAG-ACDBMABISA-N 2 1 338.499 3.533 20 0 EHADMP C[N@H+]1CCC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172063081 1137532971 /nfs/dbraw/zinc/53/29/71/1137532971.db2.gz WDVNLDHBDOIGRD-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063081 1137532972 /nfs/dbraw/zinc/53/29/72/1137532972.db2.gz WDVNLDHBDOIGRD-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063081 1137532973 /nfs/dbraw/zinc/53/29/73/1137532973.db2.gz WDVNLDHBDOIGRD-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069929 1137534933 /nfs/dbraw/zinc/53/49/33/1137534933.db2.gz VXVIYLZHEFIBPC-WJMWBRGCSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069929 1137534934 /nfs/dbraw/zinc/53/49/34/1137534934.db2.gz VXVIYLZHEFIBPC-WJMWBRGCSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001172069929 1137534936 /nfs/dbraw/zinc/53/49/36/1137534936.db2.gz VXVIYLZHEFIBPC-WJMWBRGCSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001172069929 1137534937 /nfs/dbraw/zinc/53/49/37/1137534937.db2.gz VXVIYLZHEFIBPC-WJMWBRGCSA-N 2 1 328.500 3.683 20 0 EHADMP COc1ccc(C2=CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001172130619 1137535712 /nfs/dbraw/zinc/53/57/12/1137535712.db2.gz QQFVTHDSFYFYTC-ACDBMABISA-N 2 1 326.484 3.800 20 0 EHADMP COc1ccc(C2=CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CC2)cc1 ZINC001172130619 1137535714 /nfs/dbraw/zinc/53/57/14/1137535714.db2.gz QQFVTHDSFYFYTC-ACDBMABISA-N 2 1 326.484 3.800 20 0 EHADMP COc1ccc(C2=CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CC2)cc1 ZINC001172130619 1137535715 /nfs/dbraw/zinc/53/57/15/1137535715.db2.gz QQFVTHDSFYFYTC-ACDBMABISA-N 2 1 326.484 3.800 20 0 EHADMP COc1ccc(C2=CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172130619 1137535717 /nfs/dbraw/zinc/53/57/17/1137535717.db2.gz QQFVTHDSFYFYTC-ACDBMABISA-N 2 1 326.484 3.800 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113807 1137537526 /nfs/dbraw/zinc/53/75/26/1137537526.db2.gz MODLEHXTNQPETP-IWTFSIHTSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113807 1137537528 /nfs/dbraw/zinc/53/75/28/1137537528.db2.gz MODLEHXTNQPETP-IWTFSIHTSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113807 1137537530 /nfs/dbraw/zinc/53/75/30/1137537530.db2.gz MODLEHXTNQPETP-IWTFSIHTSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112096 1137537586 /nfs/dbraw/zinc/53/75/86/1137537586.db2.gz SYNRIQHYXGZDTJ-WOZUAGRISA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112096 1137537588 /nfs/dbraw/zinc/53/75/88/1137537588.db2.gz SYNRIQHYXGZDTJ-WOZUAGRISA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(OCC3CCC3)c1)C2 ZINC001172119281 1137538527 /nfs/dbraw/zinc/53/85/27/1137538527.db2.gz XZAHHJMSGWHGCS-OWZKRDHZSA-N 2 1 328.500 3.970 20 0 EHADMP COc1ccccc1CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119409 1137538547 /nfs/dbraw/zinc/53/85/47/1137538547.db2.gz VCKHDOPWTMDCHK-AERCQKQUSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccccc1CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119409 1137538549 /nfs/dbraw/zinc/53/85/49/1137538549.db2.gz VCKHDOPWTMDCHK-AERCQKQUSA-N 2 1 342.527 3.965 20 0 EHADMP C[N@H+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122499 1137538879 /nfs/dbraw/zinc/53/88/79/1137538879.db2.gz RCVVSYFCWGVCPY-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122499 1137538881 /nfs/dbraw/zinc/53/88/81/1137538881.db2.gz RCVVSYFCWGVCPY-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122499 1137538882 /nfs/dbraw/zinc/53/88/82/1137538882.db2.gz RCVVSYFCWGVCPY-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122499 1137538884 /nfs/dbraw/zinc/53/88/84/1137538884.db2.gz RCVVSYFCWGVCPY-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121340 1137538946 /nfs/dbraw/zinc/53/89/46/1137538946.db2.gz DPCGCTCCCWLHQO-ZMMAXQRCSA-N 2 1 331.529 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121340 1137538947 /nfs/dbraw/zinc/53/89/47/1137538947.db2.gz DPCGCTCCCWLHQO-ZMMAXQRCSA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121340 1137538948 /nfs/dbraw/zinc/53/89/48/1137538948.db2.gz DPCGCTCCCWLHQO-ZMMAXQRCSA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121340 1137538949 /nfs/dbraw/zinc/53/89/49/1137538949.db2.gz DPCGCTCCCWLHQO-ZMMAXQRCSA-N 2 1 331.529 3.653 20 0 EHADMP COCCC[NH+]1CCC([N@H+](Cc2ccccc2)C[Si](C)(C)C)CC1 ZINC001172255676 1137544819 /nfs/dbraw/zinc/54/48/19/1137544819.db2.gz KDFFDVVSKKWDED-UHFFFAOYSA-N 2 1 348.607 3.867 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](Cc2ccccc2)C[Si](C)(C)C)CC1 ZINC001172255676 1137544821 /nfs/dbraw/zinc/54/48/21/1137544821.db2.gz KDFFDVVSKKWDED-UHFFFAOYSA-N 2 1 348.607 3.867 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172332998 1137551340 /nfs/dbraw/zinc/55/13/40/1137551340.db2.gz IUWMBSLVSCSYDC-DMUMMCEESA-N 2 1 333.520 3.747 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336235 1137551552 /nfs/dbraw/zinc/55/15/52/1137551552.db2.gz SCSVEUZYDIDBEV-ZULIPRJHSA-N 2 1 333.520 3.747 20 0 EHADMP CC[C@H](CC(C)C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001172404042 1137555663 /nfs/dbraw/zinc/55/56/63/1137555663.db2.gz YBTMASDEOPNZQW-LJQANCHMSA-N 2 1 332.536 3.675 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872028342 1137566140 /nfs/dbraw/zinc/56/61/40/1137566140.db2.gz JHEBWGDIBGVQGJ-HBMCJLEFSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000872031984 1137566490 /nfs/dbraw/zinc/56/64/90/1137566490.db2.gz ORNQDWZYKHODNU-HKBOAZHASA-N 2 1 344.543 3.734 20 0 EHADMP CC[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCOC1 ZINC000872044181 1137567353 /nfs/dbraw/zinc/56/73/53/1137567353.db2.gz RISLXFUDOMYPJY-XRYRHKQGSA-N 2 1 344.543 3.938 20 0 EHADMP COCC(C)(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000872105034 1137571316 /nfs/dbraw/zinc/57/13/16/1137571316.db2.gz ZFVDYLBXIFCQQX-ACDBMABISA-N 2 1 330.516 3.834 20 0 EHADMP CC1(C)CO[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106848 1137571524 /nfs/dbraw/zinc/57/15/24/1137571524.db2.gz VQNZSPYDFKNTLG-RBUKOAKNSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)CO[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106848 1137571525 /nfs/dbraw/zinc/57/15/25/1137571525.db2.gz VQNZSPYDFKNTLG-RBUKOAKNSA-N 2 1 328.500 3.588 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](CCSc2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000872149430 1137574137 /nfs/dbraw/zinc/57/41/37/1137574137.db2.gz NMAKOBBLEGFAGB-GWCFXTLKSA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000872149430 1137574138 /nfs/dbraw/zinc/57/41/38/1137574138.db2.gz NMAKOBBLEGFAGB-GWCFXTLKSA-N 2 1 338.826 3.501 20 0 EHADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC000873232839 1137594707 /nfs/dbraw/zinc/59/47/07/1137594707.db2.gz ZDPMHJJUTXDGHR-XLIONFOSSA-N 2 1 332.536 3.639 20 0 EHADMP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000873283435 1137596395 /nfs/dbraw/zinc/59/63/95/1137596395.db2.gz TXETWLGQGZOPIQ-GVDBMIGSSA-N 2 1 342.512 3.606 20 0 EHADMP Cc1sc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1Br ZINC000876764506 1137660576 /nfs/dbraw/zinc/66/05/76/1137660576.db2.gz MYQRJATTXICFQN-CMPLNLGQSA-N 2 1 331.323 3.734 20 0 EHADMP Fc1cc(F)cc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000124679742 1137606866 /nfs/dbraw/zinc/60/68/66/1137606866.db2.gz OTBJQFASDOKTTP-UHFFFAOYSA-N 2 1 344.449 3.804 20 0 EHADMP Cc1sc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1Br ZINC000876764506 1137660577 /nfs/dbraw/zinc/66/05/77/1137660577.db2.gz MYQRJATTXICFQN-CMPLNLGQSA-N 2 1 331.323 3.734 20 0 EHADMP Cc1sc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000876764506 1137660575 /nfs/dbraw/zinc/66/05/75/1137660575.db2.gz MYQRJATTXICFQN-CMPLNLGQSA-N 2 1 331.323 3.734 20 0 EHADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876989427 1137667117 /nfs/dbraw/zinc/66/71/17/1137667117.db2.gz YUWHCFORQNKENA-JKSUJKDBSA-N 2 1 327.299 3.682 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054334 1137668808 /nfs/dbraw/zinc/66/88/08/1137668808.db2.gz HHUPQHLDGQBLMR-MBNYWOFBSA-N 2 1 333.328 3.914 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054334 1137668809 /nfs/dbraw/zinc/66/88/09/1137668809.db2.gz HHUPQHLDGQBLMR-MBNYWOFBSA-N 2 1 333.328 3.914 20 0 EHADMP CO[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000877546542 1137680742 /nfs/dbraw/zinc/68/07/42/1137680742.db2.gz KSDUOXJCKRYXRZ-VTHDOGFWSA-N 2 1 328.500 3.587 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000877630527 1137683660 /nfs/dbraw/zinc/68/36/60/1137683660.db2.gz KTZBQWLSZCSSMN-DMPWYTOCSA-N 2 1 330.453 3.706 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000877630527 1137683661 /nfs/dbraw/zinc/68/36/61/1137683661.db2.gz KTZBQWLSZCSSMN-DMPWYTOCSA-N 2 1 330.453 3.706 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000877630529 1137683690 /nfs/dbraw/zinc/68/36/90/1137683690.db2.gz KTZBQWLSZCSSMN-MCFFVMPBSA-N 2 1 330.453 3.706 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000877630529 1137683691 /nfs/dbraw/zinc/68/36/91/1137683691.db2.gz KTZBQWLSZCSSMN-MCFFVMPBSA-N 2 1 330.453 3.706 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC2(CCC2)O1 ZINC000878338099 1137711349 /nfs/dbraw/zinc/71/13/49/1137711349.db2.gz WHCSSTVHDWYYEK-HXUWFJFHSA-N 2 1 343.515 3.722 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878337055 1137711371 /nfs/dbraw/zinc/71/13/71/1137711371.db2.gz AHJYORZXRIURJW-SESVDKBCSA-N 2 1 343.515 3.578 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878446383 1137716430 /nfs/dbraw/zinc/71/64/30/1137716430.db2.gz FSYBFGWUEYJINO-IKGGRYGDSA-N 2 1 332.479 3.539 20 0 EHADMP COc1ccc2[nH]c3c(c2c1)CCN(CCCCn1cc[nH+]c1C)C3 ZINC000880369658 1137776777 /nfs/dbraw/zinc/77/67/77/1137776777.db2.gz LPRTYYQJHLPKOZ-UHFFFAOYSA-N 2 1 338.455 3.520 20 0 EHADMP CC(C)c1c[nH]c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000883074919 1137843482 /nfs/dbraw/zinc/84/34/82/1137843482.db2.gz MRVBYTHLMJYACA-MJGOQNOKSA-N 2 1 340.515 3.923 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883228461 1137849527 /nfs/dbraw/zinc/84/95/27/1137849527.db2.gz NDKRMSGGGOIMRH-JXFKEZNVSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)C1CC1 ZINC000883228117 1137849578 /nfs/dbraw/zinc/84/95/78/1137849578.db2.gz GDQAHMVFANXYGY-HXUWFJFHSA-N 2 1 334.479 3.757 20 0 EHADMP C[NH+](C)Cc1cnc(CNc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000883403770 1137859846 /nfs/dbraw/zinc/85/98/46/1137859846.db2.gz DDWDZNQYGGQIGX-UHFFFAOYSA-N 2 1 344.528 3.803 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)CCCC2)CC1 ZINC000348238840 1137872264 /nfs/dbraw/zinc/87/22/64/1137872264.db2.gz GDKKKQGWJRCCHN-CTNGQTDRSA-N 2 1 342.527 3.803 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000119663331 1137943505 /nfs/dbraw/zinc/94/35/05/1137943505.db2.gz DKYDEBRDSFXGBN-GFCCVEGCSA-N 2 1 340.414 3.574 20 0 EHADMP C[C@@H]1C[N@@H+](C/C(Br)=C/c2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205980829 1137959137 /nfs/dbraw/zinc/95/91/37/1137959137.db2.gz AIOHTWWYQITEOW-KOILDRITSA-N 2 1 337.305 3.729 20 0 EHADMP C[C@@H]1C[N@@H+](CCCc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205981081 1137962982 /nfs/dbraw/zinc/96/29/82/1137962982.db2.gz BNVIRPLROQFXPB-ZBFHGGJFSA-N 2 1 339.321 3.689 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886286791 1138064396 /nfs/dbraw/zinc/06/43/96/1138064396.db2.gz CSCMRTYVQQWNGH-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886286791 1138064399 /nfs/dbraw/zinc/06/43/99/1138064399.db2.gz CSCMRTYVQQWNGH-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518819 1138088641 /nfs/dbraw/zinc/08/86/41/1138088641.db2.gz HDQADHFSNQASPK-APWZRJJASA-N 2 1 346.544 3.681 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518819 1138088643 /nfs/dbraw/zinc/08/86/43/1138088643.db2.gz HDQADHFSNQASPK-APWZRJJASA-N 2 1 346.544 3.681 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605391 1138101087 /nfs/dbraw/zinc/10/10/87/1138101087.db2.gz PNSJCWZPQDFVJY-SFTDATJTSA-N 2 1 340.515 3.619 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886623287 1138103105 /nfs/dbraw/zinc/10/31/05/1138103105.db2.gz AEQRRNXPBMUYKK-ANULTFPQSA-N 2 1 342.527 3.834 20 0 EHADMP CCn1cc([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886622170 1138103130 /nfs/dbraw/zinc/10/31/30/1138103130.db2.gz LSGZNASMKJTERN-LGYWMIHWSA-N 2 1 338.499 3.607 20 0 EHADMP CCn1cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886622172 1138103328 /nfs/dbraw/zinc/10/33/28/1138103328.db2.gz LSGZNASMKJTERN-YRLHULLVSA-N 2 1 338.499 3.607 20 0 EHADMP O[C@H](CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000886650079 1138106884 /nfs/dbraw/zinc/10/68/84/1138106884.db2.gz PEDKATICLPFQSQ-JKLQHZFJSA-N 2 1 342.527 3.570 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000886650081 1138107029 /nfs/dbraw/zinc/10/70/29/1138107029.db2.gz PEDKATICLPFQSQ-WSWWRLHASA-N 2 1 342.527 3.570 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089515528 1138200375 /nfs/dbraw/zinc/20/03/75/1138200375.db2.gz UAFKZODMZLAYMN-IXDOHACOSA-N 2 1 334.529 3.640 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)ccc1Br ZINC000090184988 1138209771 /nfs/dbraw/zinc/20/97/71/1138209771.db2.gz JCVLIPZARJZXLV-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000092165647 1138225515 /nfs/dbraw/zinc/22/55/15/1138225515.db2.gz SLEYCMAZHXYALA-UHFFFAOYSA-N 2 1 330.451 3.522 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000092165647 1138225517 /nfs/dbraw/zinc/22/55/17/1138225517.db2.gz SLEYCMAZHXYALA-UHFFFAOYSA-N 2 1 330.451 3.522 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000093645086 1138239308 /nfs/dbraw/zinc/23/93/08/1138239308.db2.gz XYGGOQOMMZQAGV-WCQYABFASA-N 2 1 332.822 3.856 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645086 1138239310 /nfs/dbraw/zinc/23/93/10/1138239310.db2.gz XYGGOQOMMZQAGV-WCQYABFASA-N 2 1 332.822 3.856 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645086 1138239312 /nfs/dbraw/zinc/23/93/12/1138239312.db2.gz XYGGOQOMMZQAGV-WCQYABFASA-N 2 1 332.822 3.856 20 0 EHADMP CCC[N@@H+](CCOc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000037539249 1138246791 /nfs/dbraw/zinc/24/67/91/1138246791.db2.gz XEIALAUSQGMQRJ-UHFFFAOYSA-N 2 1 331.287 3.836 20 0 EHADMP Cc1ccccc1C1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000128149521 1138381946 /nfs/dbraw/zinc/38/19/46/1138381946.db2.gz ZWRPKBWBOAKANE-UHFFFAOYSA-N 2 1 342.527 3.866 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000128427741 1138389112 /nfs/dbraw/zinc/38/91/12/1138389112.db2.gz DCELOKFLKKSASE-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)c2)CCO1 ZINC000337358796 1138543963 /nfs/dbraw/zinc/54/39/63/1138543963.db2.gz BWEIJGSODWEPBC-UMSONDCASA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)c2)CCO1 ZINC000337358796 1138543966 /nfs/dbraw/zinc/54/39/66/1138543966.db2.gz BWEIJGSODWEPBC-UMSONDCASA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337430484 1138566932 /nfs/dbraw/zinc/56/69/32/1138566932.db2.gz FDDWAQQCIWUBET-QWFCFKBJSA-N 2 1 345.531 3.994 20 0 EHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132856491 1138607250 /nfs/dbraw/zinc/60/72/50/1138607250.db2.gz QVBYQCXYLMJMSL-IAGOWNOFSA-N 2 1 342.483 3.893 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000338012405 1138724013 /nfs/dbraw/zinc/72/40/13/1138724013.db2.gz QQJNOBVXIGZXHF-FQEVSTJZSA-N 2 1 339.483 3.964 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000338014438 1138724297 /nfs/dbraw/zinc/72/42/97/1138724297.db2.gz HIIXHQQINZZQLZ-UHFFFAOYSA-N 2 1 345.531 3.524 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000151120820 1139009907 /nfs/dbraw/zinc/00/99/07/1139009907.db2.gz ADUNIJYXSCSKPK-GOSISDBHSA-N 2 1 349.950 3.626 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000151118437 1139010773 /nfs/dbraw/zinc/01/07/73/1139010773.db2.gz OLEWJPUFDMYDJX-WMZOPIPTSA-N 3 1 326.488 3.563 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000152103555 1139073527 /nfs/dbraw/zinc/07/35/27/1139073527.db2.gz JGKZOVDSIVNRSL-INIZCTEOSA-N 2 1 341.499 3.519 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000178563826 1139704859 /nfs/dbraw/zinc/70/48/59/1139704859.db2.gz CHUHQSQLTTUZMZ-CQSZACIVSA-N 2 1 339.414 3.663 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182228196 1139959474 /nfs/dbraw/zinc/95/94/74/1139959474.db2.gz SRZXEHDYBNBACY-XMSQKQJNSA-N 2 1 338.495 3.803 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182259856 1139961702 /nfs/dbraw/zinc/96/17/02/1139961702.db2.gz FMCRTMFKPYNBOW-YJBOKZPZSA-N 2 1 344.524 3.728 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182543022 1139979283 /nfs/dbraw/zinc/97/92/83/1139979283.db2.gz FZYOGJBPGKKXRV-UHFFFAOYSA-N 2 1 349.522 3.764 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC000186379480 1140200685 /nfs/dbraw/zinc/20/06/85/1140200685.db2.gz BBQCBEMBPKVYCG-HXUWFJFHSA-N 2 1 334.504 3.625 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)c2cc1C ZINC000266902700 1140735857 /nfs/dbraw/zinc/73/58/57/1140735857.db2.gz GZRQFZKAFFVQQW-OAHLLOKOSA-N 2 1 337.423 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@@H+]1C ZINC000268823772 1141000398 /nfs/dbraw/zinc/00/03/98/1141000398.db2.gz OVRVEAXPIMTNEH-APWZRJJASA-N 2 1 337.467 3.511 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@H+]1C ZINC000268823772 1141000405 /nfs/dbraw/zinc/00/04/05/1141000405.db2.gz OVRVEAXPIMTNEH-APWZRJJASA-N 2 1 337.467 3.511 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000268869889 1141013567 /nfs/dbraw/zinc/01/35/67/1141013567.db2.gz OSNAAMUWRLMHRW-CQSZACIVSA-N 2 1 348.878 3.550 20 0 EHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000268878612 1141015796 /nfs/dbraw/zinc/01/57/96/1141015796.db2.gz AJBSANKAKMCIJB-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268883922 1141018104 /nfs/dbraw/zinc/01/81/04/1141018104.db2.gz XIZNIBXXIMMRBS-FUHWJXTLSA-N 2 1 343.540 3.891 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268883922 1141018111 /nfs/dbraw/zinc/01/81/11/1141018111.db2.gz XIZNIBXXIMMRBS-FUHWJXTLSA-N 2 1 343.540 3.891 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268908269 1141022240 /nfs/dbraw/zinc/02/22/40/1141022240.db2.gz HFSYNBXZYRFYMO-ICSRJNTNSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268908269 1141022247 /nfs/dbraw/zinc/02/22/47/1141022247.db2.gz HFSYNBXZYRFYMO-ICSRJNTNSA-N 2 1 330.516 3.572 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)[C@@H](C)C1 ZINC000269030384 1141051306 /nfs/dbraw/zinc/05/13/06/1141051306.db2.gz ROFYZFCXHCKDEB-RYGJVYDSSA-N 2 1 334.479 3.540 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000269055338 1141057547 /nfs/dbraw/zinc/05/75/47/1141057547.db2.gz SBLWTAXUBKUEDL-KUHUBIRLSA-N 2 1 341.480 3.801 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000269126669 1141069210 /nfs/dbraw/zinc/06/92/10/1141069210.db2.gz YTGUCLCISHUIQG-MRXNPFEDSA-N 2 1 342.483 3.650 20 0 EHADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cn1 ZINC000269850849 1141150536 /nfs/dbraw/zinc/15/05/36/1141150536.db2.gz FTPWQIYPCLYGCI-QGZVFWFLSA-N 2 1 340.377 3.631 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000270825117 1141274442 /nfs/dbraw/zinc/27/44/42/1141274442.db2.gz BQLPCIJYTSCERE-SJORKVTESA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000270825117 1141274448 /nfs/dbraw/zinc/27/44/48/1141274448.db2.gz BQLPCIJYTSCERE-SJORKVTESA-N 2 1 333.501 3.621 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000271029765 1141296311 /nfs/dbraw/zinc/29/63/11/1141296311.db2.gz GCMKJMFCEJIPOP-UHFFFAOYSA-N 2 1 340.471 3.574 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000271029765 1141296316 /nfs/dbraw/zinc/29/63/16/1141296316.db2.gz GCMKJMFCEJIPOP-UHFFFAOYSA-N 2 1 340.471 3.574 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000271036352 1141298142 /nfs/dbraw/zinc/29/81/42/1141298142.db2.gz RPZSNSMHNCQOOS-UHFFFAOYSA-N 2 1 326.469 3.837 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000271036352 1141298145 /nfs/dbraw/zinc/29/81/45/1141298145.db2.gz RPZSNSMHNCQOOS-UHFFFAOYSA-N 2 1 326.469 3.837 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000271304011 1141343093 /nfs/dbraw/zinc/34/30/93/1141343093.db2.gz PMCWSAOXQCNSBG-CYBMUJFWSA-N 2 1 336.277 3.737 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000271432394 1141365685 /nfs/dbraw/zinc/36/56/85/1141365685.db2.gz CFCKWWABXOVORF-YRGRVCCFSA-N 2 1 337.920 3.811 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cncc(Br)c1 ZINC000274339391 1141498704 /nfs/dbraw/zinc/49/87/04/1141498704.db2.gz PIUVUXQJLOPMMS-CQSZACIVSA-N 2 1 340.309 3.588 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cncc(Br)c1 ZINC000274339389 1141499134 /nfs/dbraw/zinc/49/91/34/1141499134.db2.gz PIUVUXQJLOPMMS-AWEZNQCLSA-N 2 1 340.309 3.588 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348509496 1141544065 /nfs/dbraw/zinc/54/40/65/1141544065.db2.gz CHYJTAQYYMZKDB-UHFFFAOYSA-N 2 1 332.395 3.582 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348818840 1141586828 /nfs/dbraw/zinc/58/68/28/1141586828.db2.gz IHPSXBQVCZYGMQ-VQTJNVASSA-N 2 1 345.462 3.963 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348818840 1141586831 /nfs/dbraw/zinc/58/68/31/1141586831.db2.gz IHPSXBQVCZYGMQ-VQTJNVASSA-N 2 1 345.462 3.963 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000038098183 202101373 /nfs/dbraw/zinc/10/13/73/202101373.db2.gz MLYNSQXPVAZBFA-NSHDSACASA-N 2 1 329.257 3.723 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)s1 ZINC000038003337 202385850 /nfs/dbraw/zinc/38/58/50/202385850.db2.gz VKQAHECPCQJJTM-WDEREUQCSA-N 2 1 329.307 3.646 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCCO1 ZINC000359867551 201115018 /nfs/dbraw/zinc/11/50/18/201115018.db2.gz JGRNAJQJPPAKJH-ZMWHVPEISA-N 2 1 328.500 3.729 20 0 EHADMP CC[NH+]1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000038098090 521577835 /nfs/dbraw/zinc/57/78/35/521577835.db2.gz WZBHDKOSLHONHH-UHFFFAOYSA-N 2 1 337.305 3.769 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164635485 719211658 /nfs/dbraw/zinc/21/16/58/719211658.db2.gz IQJRVPISIZBDME-IAGOWNOFSA-N 2 1 334.467 3.613 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1F ZINC000537971897 1032071333 /nfs/dbraw/zinc/07/13/33/1032071333.db2.gz LPBHCTZXZHICDK-FGTMMUONSA-N 2 1 336.495 3.983 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000584291076 1032079310 /nfs/dbraw/zinc/07/93/10/1032079310.db2.gz XRJXEEAQVDXPSG-NRFANRHFSA-N 2 1 335.495 3.985 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000584291076 1032079329 /nfs/dbraw/zinc/07/93/29/1032079329.db2.gz XRJXEEAQVDXPSG-NRFANRHFSA-N 2 1 335.495 3.985 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000537943708 1014172040 /nfs/dbraw/zinc/17/20/40/1014172040.db2.gz XQSKKEYBCWLHDC-SXLOBPIMSA-N 2 1 332.532 3.530 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1OC(F)(F)F ZINC000643546603 1014479738 /nfs/dbraw/zinc/47/97/38/1014479738.db2.gz RNSUVAABBFRLBV-QWHCGFSZSA-N 2 1 328.378 3.911 20 0 EHADMP c1c2cccnc2oc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449020783 1032092404 /nfs/dbraw/zinc/09/24/04/1032092404.db2.gz ARKXVYSNQLONBM-KRWDZBQOSA-N 2 1 327.472 3.916 20 0 EHADMP c1c2cccnc2oc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449020783 1032092422 /nfs/dbraw/zinc/09/24/22/1032092422.db2.gz ARKXVYSNQLONBM-KRWDZBQOSA-N 2 1 327.472 3.916 20 0 EHADMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449024658 1032098635 /nfs/dbraw/zinc/09/86/35/1032098635.db2.gz CQWONULFXRWVDA-KRWDZBQOSA-N 2 1 327.476 3.594 20 0 EHADMP CCc1nccn1[C@H]1CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000449024658 1032098650 /nfs/dbraw/zinc/09/86/50/1032098650.db2.gz CQWONULFXRWVDA-KRWDZBQOSA-N 2 1 327.476 3.594 20 0 EHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772204 1014961767 /nfs/dbraw/zinc/96/17/67/1014961767.db2.gz ZDPLOQTXNMRVBX-PWSUYJOCSA-N 2 1 336.785 3.798 20 0 EHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772204 1014961775 /nfs/dbraw/zinc/96/17/75/1014961775.db2.gz ZDPLOQTXNMRVBX-PWSUYJOCSA-N 2 1 336.785 3.798 20 0 EHADMP C[C@H]([NH2+]CCC[C@@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274794724 1015169633 /nfs/dbraw/zinc/16/96/33/1015169633.db2.gz SPJWCCZGMMPTBY-JBACZVJFSA-N 2 1 330.516 3.836 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000017310287 1016008797 /nfs/dbraw/zinc/00/87/97/1016008797.db2.gz ZNRRSAWUAWQUIV-UHFFFAOYSA-N 2 1 345.874 3.634 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cs1 ZINC000348122608 1016290475 /nfs/dbraw/zinc/29/04/75/1016290475.db2.gz SJLACGHMHFTBRC-ZWKOTPCHSA-N 2 1 333.545 3.696 20 0 EHADMP C[N@H+](C[C@@H](O)C[NH+](CC1CCCCC1)CC1CCCCC1)C1CC1 ZINC001167156935 1016391532 /nfs/dbraw/zinc/39/15/32/1016391532.db2.gz GZPAJPUPMRBYDS-OAQYLSRUSA-N 2 1 336.564 3.904 20 0 EHADMP C[N@@H+](C[C@@H](O)C[NH+](CC1CCCCC1)CC1CCCCC1)C1CC1 ZINC001167156935 1016391542 /nfs/dbraw/zinc/39/15/42/1016391542.db2.gz GZPAJPUPMRBYDS-OAQYLSRUSA-N 2 1 336.564 3.904 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311514604 1016799784 /nfs/dbraw/zinc/79/97/84/1016799784.db2.gz HZOSZNQNFNRNQX-YLJYHZDGSA-N 2 1 348.494 3.643 20 0 EHADMP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)ccc2c1 ZINC000275516966 1016952141 /nfs/dbraw/zinc/95/21/41/1016952141.db2.gz KSWOZIKKDXXMEQ-HOTGVXAUSA-N 2 1 335.451 3.958 20 0 EHADMP CC[NH+](CC)C[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000536696380 1032152487 /nfs/dbraw/zinc/15/24/87/1032152487.db2.gz VLBZMMWKMVFZTA-OAQYLSRUSA-N 2 1 345.575 3.808 20 0 EHADMP CCO[C@H](CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000547828097 1016976758 /nfs/dbraw/zinc/97/67/58/1016976758.db2.gz AMNHUKZMUCLXOV-HLAWJBBLSA-N 2 1 332.532 3.938 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000624122996 1017041021 /nfs/dbraw/zinc/04/10/21/1017041021.db2.gz COYNCDYUASWMSG-WCQYABFASA-N 2 1 343.334 3.819 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000624122996 1017041035 /nfs/dbraw/zinc/04/10/35/1017041035.db2.gz COYNCDYUASWMSG-WCQYABFASA-N 2 1 343.334 3.819 20 0 EHADMP Fc1ccccc1-c1ncc(CNC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000449076373 1032164611 /nfs/dbraw/zinc/16/46/11/1032164611.db2.gz PEPJXRHLRGUYKA-CYBMUJFWSA-N 2 1 331.460 3.523 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000449076373 1032164629 /nfs/dbraw/zinc/16/46/29/1032164629.db2.gz PEPJXRHLRGUYKA-CYBMUJFWSA-N 2 1 331.460 3.523 20 0 EHADMP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925218528 1032165035 /nfs/dbraw/zinc/16/50/35/1032165035.db2.gz YSUOMIICJNPQQF-QGZVFWFLSA-N 2 1 329.532 3.806 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000379638718 1032231886 /nfs/dbraw/zinc/23/18/86/1032231886.db2.gz AKUDKRYQWQYUDZ-UIFIKXQLSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000379638718 1032231898 /nfs/dbraw/zinc/23/18/98/1032231898.db2.gz AKUDKRYQWQYUDZ-UIFIKXQLSA-N 2 1 336.479 3.633 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C2CCCC2)o1 ZINC000538292701 1032275193 /nfs/dbraw/zinc/27/51/93/1032275193.db2.gz AJYXARBDBGASTK-IRFCIJBXSA-N 2 1 346.515 3.787 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449177964 1032275806 /nfs/dbraw/zinc/27/58/06/1032275806.db2.gz WTIYGJALCNZYMA-KBPBESRZSA-N 2 1 333.476 3.912 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+]CCC[NH+]1CCCC1 ZINC000449219864 1032338792 /nfs/dbraw/zinc/33/87/92/1032338792.db2.gz OQBNGJVXCVGILQ-UHFFFAOYSA-N 2 1 329.513 3.504 20 0 EHADMP C/C(Cl)=C/C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000528495665 1032357149 /nfs/dbraw/zinc/35/71/49/1032357149.db2.gz YPHQMUUFVHPJRP-CRAFIKPXSA-N 2 1 325.909 3.572 20 0 EHADMP C/C(Cl)=C/C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000528495665 1032357160 /nfs/dbraw/zinc/35/71/60/1032357160.db2.gz YPHQMUUFVHPJRP-CRAFIKPXSA-N 2 1 325.909 3.572 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000536875309 1032378102 /nfs/dbraw/zinc/37/81/02/1032378102.db2.gz HQWHBIXJHNPANY-TZMCWYRMSA-N 2 1 331.287 3.692 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459728085 1032433203 /nfs/dbraw/zinc/43/32/03/1032433203.db2.gz CRAKKLWFBIBZKX-LSDHHAIUSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000459730516 1032434682 /nfs/dbraw/zinc/43/46/82/1032434682.db2.gz KLYOASOHCWUZKT-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP CC1(C)CC([NH2+]Cc2cnc(-c3ccccn3)s2)CC(C)(C)[NH2+]1 ZINC000084650754 1032447007 /nfs/dbraw/zinc/44/70/07/1032447007.db2.gz ODWPADROSHRSEB-UHFFFAOYSA-N 2 1 330.501 3.604 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261878090 1032565837 /nfs/dbraw/zinc/56/58/37/1032565837.db2.gz MENATTJAWAREGH-JMGFVUJMSA-N 2 1 328.378 3.705 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090707495 1032592250 /nfs/dbraw/zinc/59/22/50/1032592250.db2.gz AHOBQQQNCSFVRT-QBKZBJQZSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090707495 1032592260 /nfs/dbraw/zinc/59/22/60/1032592260.db2.gz AHOBQQQNCSFVRT-QBKZBJQZSA-N 3 1 343.559 3.750 20 0 EHADMP Cc1cccnc1CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000449488499 1032646647 /nfs/dbraw/zinc/64/66/47/1032646647.db2.gz HRGYVMXAUNZOBJ-UHFFFAOYSA-N 2 1 325.500 3.680 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000449495623 1032662447 /nfs/dbraw/zinc/66/24/47/1032662447.db2.gz OSMUAKVEJPCPPR-FPOVZHCZSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000606432084 1032677817 /nfs/dbraw/zinc/67/78/17/1032677817.db2.gz NQFLTAMARMZYOZ-JQVVWYNYSA-N 2 1 341.543 3.554 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(C3CCCCC3)CC2)CC1 ZINC000683471204 1017216259 /nfs/dbraw/zinc/21/62/59/1017216259.db2.gz BQLFYAZADSJBJJ-UHFFFAOYSA-N 2 1 335.580 3.743 20 0 EHADMP FC(F)(F)COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415035592 1017440744 /nfs/dbraw/zinc/44/07/44/1017440744.db2.gz DTRTTXVINBUVHG-RDJZCZTQSA-N 2 1 342.405 3.592 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655720475 1017456729 /nfs/dbraw/zinc/45/67/29/1017456729.db2.gz XSYYHHYXFLQWJJ-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655720475 1017456743 /nfs/dbraw/zinc/45/67/43/1017456743.db2.gz XSYYHHYXFLQWJJ-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP CCC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655737328 1017495059 /nfs/dbraw/zinc/49/50/59/1017495059.db2.gz LOWYTKFERHOHFJ-HXUWFJFHSA-N 2 1 330.516 3.717 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(Br)cn1 ZINC000564782292 1017507124 /nfs/dbraw/zinc/50/71/24/1017507124.db2.gz BOEBUKAADCWMBH-UONOGXRCSA-N 2 1 340.309 3.617 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415087665 1017537499 /nfs/dbraw/zinc/53/74/99/1017537499.db2.gz LEVXELXLPARCTR-POZUXBRTSA-N 2 1 328.431 3.978 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000415106068 1017559998 /nfs/dbraw/zinc/55/99/98/1017559998.db2.gz NUDDRJKFPXLKAF-VNQPRFMTSA-N 2 1 341.268 3.599 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000415105926 1017560848 /nfs/dbraw/zinc/56/08/48/1017560848.db2.gz ITTSSEAOTVNHJR-ROUUACIJSA-N 2 1 340.870 3.506 20 0 EHADMP Cc1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c(C)c1 ZINC000655771867 1017571765 /nfs/dbraw/zinc/57/17/65/1017571765.db2.gz PPHKYDCMSYITCN-FQEVSTJZSA-N 2 1 342.527 3.568 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCCC(C)C ZINC000415132333 1017597809 /nfs/dbraw/zinc/59/78/09/1017597809.db2.gz UACVJRGALYPGBP-FUHWJXTLSA-N 2 1 334.504 3.537 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4CCCCO4)C3)CC2)cc1 ZINC000377331380 1017650928 /nfs/dbraw/zinc/65/09/28/1017650928.db2.gz RVVKRROTOQQSHL-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000655848434 1017764652 /nfs/dbraw/zinc/76/46/52/1017764652.db2.gz IZRYSRZTOVYODG-RTWAWAEBSA-N 2 1 330.516 3.631 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000340473683 1017999523 /nfs/dbraw/zinc/99/95/23/1017999523.db2.gz KHXVZRSYENCOJQ-UHFFFAOYSA-N 3 1 331.548 3.750 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340473683 1017999525 /nfs/dbraw/zinc/99/95/25/1017999525.db2.gz KHXVZRSYENCOJQ-UHFFFAOYSA-N 3 1 331.548 3.750 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340473683 1017999529 /nfs/dbraw/zinc/99/95/29/1017999529.db2.gz KHXVZRSYENCOJQ-UHFFFAOYSA-N 3 1 331.548 3.750 20 0 EHADMP COc1cccc(C[C@@H]2CCCCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000528752695 1032744297 /nfs/dbraw/zinc/74/42/97/1032744297.db2.gz YXSSARVFWBVVDI-IBGZPJMESA-N 2 1 341.499 3.849 20 0 EHADMP COc1cccc(C[C@@H]2CCCCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000528752695 1032744310 /nfs/dbraw/zinc/74/43/10/1032744310.db2.gz YXSSARVFWBVVDI-IBGZPJMESA-N 2 1 341.499 3.849 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000377664217 1018147517 /nfs/dbraw/zinc/14/75/17/1018147517.db2.gz DIVTWGVCXZVZNV-RTBURBONSA-N 2 1 346.906 3.660 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000893030127 1018217263 /nfs/dbraw/zinc/21/72/63/1018217263.db2.gz PTZBWLNTLUZMFB-UHFFFAOYSA-N 2 1 341.377 3.703 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472853871 1018314211 /nfs/dbraw/zinc/31/42/11/1018314211.db2.gz UEPZYDUOJXEUHX-QZTJIDSGSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472853871 1018314219 /nfs/dbraw/zinc/31/42/19/1018314219.db2.gz UEPZYDUOJXEUHX-QZTJIDSGSA-N 2 1 349.950 3.893 20 0 EHADMP COc1cccc(C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)c2ccccc2)c1 ZINC000377802935 1018398149 /nfs/dbraw/zinc/39/81/49/1018398149.db2.gz PKQADSVNNQNCIK-GHTZIAJQSA-N 2 1 347.462 3.849 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1c(Cl)cccc1Cl ZINC000893086314 1018403769 /nfs/dbraw/zinc/40/37/69/1018403769.db2.gz OHXXYUCYMKYQJQ-ZXACGFKOSA-N 2 1 343.298 3.630 20 0 EHADMP Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098637 1018474710 /nfs/dbraw/zinc/47/47/10/1018474710.db2.gz QCOZMHSKWCFSHK-APWZRJJASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098637 1018474722 /nfs/dbraw/zinc/47/47/22/1018474722.db2.gz QCOZMHSKWCFSHK-APWZRJJASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098637 1018474729 /nfs/dbraw/zinc/47/47/29/1018474729.db2.gz QCOZMHSKWCFSHK-APWZRJJASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098637 1018474738 /nfs/dbraw/zinc/47/47/38/1018474738.db2.gz QCOZMHSKWCFSHK-APWZRJJASA-N 2 1 327.447 3.672 20 0 EHADMP CCS[C@@H]1CCCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001167363851 1018734781 /nfs/dbraw/zinc/73/47/81/1018734781.db2.gz MGRJAEXKYDBFMC-HXUWFJFHSA-N 2 1 348.556 3.626 20 0 EHADMP CCS[C@@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001167363851 1018734797 /nfs/dbraw/zinc/73/47/97/1018734797.db2.gz MGRJAEXKYDBFMC-HXUWFJFHSA-N 2 1 348.556 3.626 20 0 EHADMP CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001167363851 1018734812 /nfs/dbraw/zinc/73/48/12/1018734812.db2.gz MGRJAEXKYDBFMC-HXUWFJFHSA-N 2 1 348.556 3.626 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(OC(F)F)cc1C ZINC000580259761 1018885187 /nfs/dbraw/zinc/88/51/87/1018885187.db2.gz WJJXOAHHJRGHIG-OAHLLOKOSA-N 2 1 326.431 3.725 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(OC(F)F)cc1C ZINC000580259761 1018885210 /nfs/dbraw/zinc/88/52/10/1018885210.db2.gz WJJXOAHHJRGHIG-OAHLLOKOSA-N 2 1 326.431 3.725 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513072193 1018894629 /nfs/dbraw/zinc/89/46/29/1018894629.db2.gz ZEFRBOGFTBYLBP-QMMLZNLJSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513072193 1018894647 /nfs/dbraw/zinc/89/46/47/1018894647.db2.gz ZEFRBOGFTBYLBP-QMMLZNLJSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCc2ccccc2CC1 ZINC000449556693 1032793976 /nfs/dbraw/zinc/79/39/76/1032793976.db2.gz NMCKZPUAPLMWPC-UHFFFAOYSA-N 2 1 332.451 3.567 20 0 EHADMP c1nc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000894170086 1018998032 /nfs/dbraw/zinc/99/80/32/1018998032.db2.gz OAWMJQROIJSODX-UHFFFAOYSA-N 2 1 346.478 3.962 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000894183627 1019084928 /nfs/dbraw/zinc/08/49/28/1019084928.db2.gz FFADTCUHGVFAFH-HZPDHXFCSA-N 2 1 327.472 3.751 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167936991 1019238165 /nfs/dbraw/zinc/23/81/65/1019238165.db2.gz QIEZPZLQQKTSCY-BQJUDKOJSA-N 2 1 340.511 3.540 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261696838 1019438567 /nfs/dbraw/zinc/43/85/67/1019438567.db2.gz JMMUFWZDMWNWGN-IBGZPJMESA-N 2 1 326.488 3.754 20 0 EHADMP Cc1nc2c(n1[C@H]1CC[N@H+](C[C@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752957 1019566661 /nfs/dbraw/zinc/56/66/61/1019566661.db2.gz DRVGDSDYPOSCRR-APWZRJJASA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752957 1019566670 /nfs/dbraw/zinc/56/66/70/1019566670.db2.gz DRVGDSDYPOSCRR-APWZRJJASA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752957 1019566677 /nfs/dbraw/zinc/56/66/77/1019566677.db2.gz DRVGDSDYPOSCRR-APWZRJJASA-N 2 1 345.531 3.770 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3F)nc2C)C[C@H]1C ZINC000656252994 1019652348 /nfs/dbraw/zinc/65/23/48/1019652348.db2.gz HNNAGVIZFMYDQZ-CRAIPNDOSA-N 2 1 344.478 3.624 20 0 EHADMP Cc1nc(CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092820941 1032845486 /nfs/dbraw/zinc/84/54/86/1032845486.db2.gz ADVSIZZTJXSEGR-UHFFFAOYSA-N 2 1 344.528 3.628 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647562 1019794115 /nfs/dbraw/zinc/79/41/15/1019794115.db2.gz YWTXOQLKCGRRNP-RBUKOAKNSA-N 2 1 328.500 3.731 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647562 1019794131 /nfs/dbraw/zinc/79/41/31/1019794131.db2.gz YWTXOQLKCGRRNP-RBUKOAKNSA-N 2 1 328.500 3.731 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000513656888 1019910790 /nfs/dbraw/zinc/91/07/90/1019910790.db2.gz YSJOXYBXUOGAPW-FGTMMUONSA-N 2 1 349.906 3.521 20 0 EHADMP COC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513668418 1019920908 /nfs/dbraw/zinc/92/09/08/1019920908.db2.gz YEEHXTZCXIONMH-VAMGGRTRSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCF)C[C@H](C)O1 ZINC000513683048 1019933822 /nfs/dbraw/zinc/93/38/22/1019933822.db2.gz FRXWCXPVRVYLID-BMQTXXJKSA-N 2 1 348.506 3.914 20 0 EHADMP C[N@@H+](Cc1cccc2c[nH]nc21)C1CCN(Cc2ccccc2)CC1 ZINC000119315873 1032885687 /nfs/dbraw/zinc/88/56/87/1032885687.db2.gz YVYIKCCEXQBDHS-UHFFFAOYSA-N 2 1 334.467 3.659 20 0 EHADMP O[C@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000345705801 1020461196 /nfs/dbraw/zinc/46/11/96/1020461196.db2.gz BAYXSQFDURWDRA-MOPGFXCFSA-N 2 1 336.907 3.618 20 0 EHADMP COc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1OC ZINC000065976601 1020518617 /nfs/dbraw/zinc/51/86/17/1020518617.db2.gz BARXCIGDVRMHDO-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP Cc1ccc(O)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000093844517 1032915945 /nfs/dbraw/zinc/91/59/45/1032915945.db2.gz LENRMJFQTNCRPG-QGZVFWFLSA-N 2 1 331.504 3.572 20 0 EHADMP c1ncc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1C[NH+]1CC[C@H](C2CC2)C1 ZINC000581529560 1021060080 /nfs/dbraw/zinc/06/00/80/1021060080.db2.gz HYZPQWWKGBQSOY-OYRHEFFESA-N 2 1 325.500 3.545 20 0 EHADMP c1ncc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1C[NH+]1CC[C@@H](C2CC2)C1 ZINC000581529560 1021060085 /nfs/dbraw/zinc/06/00/85/1021060085.db2.gz HYZPQWWKGBQSOY-OYRHEFFESA-N 2 1 325.500 3.545 20 0 EHADMP c1ncc(C[N@H+]2CC[C@H](C3CC3)C2)cc1C[NH+]1CC[C@@H](C2CC2)C1 ZINC000581529560 1021060093 /nfs/dbraw/zinc/06/00/93/1021060093.db2.gz HYZPQWWKGBQSOY-OYRHEFFESA-N 2 1 325.500 3.545 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000507422797 1021256071 /nfs/dbraw/zinc/25/60/71/1021256071.db2.gz QBAMNKHGAWQNME-LMMKCTJWSA-N 2 1 328.504 3.808 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000507422797 1021256078 /nfs/dbraw/zinc/25/60/78/1021256078.db2.gz QBAMNKHGAWQNME-LMMKCTJWSA-N 2 1 328.504 3.808 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427277775 1021273939 /nfs/dbraw/zinc/27/39/39/1021273939.db2.gz TWBZLIHBIGKDPW-MSOLQXFVSA-N 2 1 343.515 3.779 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427278107 1021274538 /nfs/dbraw/zinc/27/45/38/1021274538.db2.gz VYYIRLJVSYRBLQ-QZTJIDSGSA-N 2 1 343.515 3.637 20 0 EHADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699542 1021441198 /nfs/dbraw/zinc/44/11/98/1021441198.db2.gz YXYCSOUSYQSDSE-KXBFYZLASA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699542 1021441199 /nfs/dbraw/zinc/44/11/99/1021441199.db2.gz YXYCSOUSYQSDSE-KXBFYZLASA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699542 1021441200 /nfs/dbraw/zinc/44/12/00/1021441200.db2.gz YXYCSOUSYQSDSE-KXBFYZLASA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699542 1021441207 /nfs/dbraw/zinc/44/12/07/1021441207.db2.gz YXYCSOUSYQSDSE-KXBFYZLASA-N 2 1 336.882 3.970 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426422302 1021545931 /nfs/dbraw/zinc/54/59/31/1021545931.db2.gz VFNSUJOAZMZQDG-QZTJIDSGSA-N 2 1 348.531 3.824 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000516660257 1021635700 /nfs/dbraw/zinc/63/57/00/1021635700.db2.gz SQHIXGGDQNLHPT-OAQYLSRUSA-N 2 1 335.451 3.763 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](CNCc3nc4c(s3)CCCC4)C2)cc1 ZINC000684409277 1021657816 /nfs/dbraw/zinc/65/78/16/1021657816.db2.gz MWFJFAVBRXULHH-KRWDZBQOSA-N 2 1 341.524 3.634 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152439 1022016774 /nfs/dbraw/zinc/01/67/74/1022016774.db2.gz HOIBQPYQSGQNPA-LPHOPBHVSA-N 2 1 332.488 3.556 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152439 1022016786 /nfs/dbraw/zinc/01/67/86/1022016786.db2.gz HOIBQPYQSGQNPA-LPHOPBHVSA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152439 1022016804 /nfs/dbraw/zinc/01/68/04/1022016804.db2.gz HOIBQPYQSGQNPA-LPHOPBHVSA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152439 1022016822 /nfs/dbraw/zinc/01/68/22/1022016822.db2.gz HOIBQPYQSGQNPA-LPHOPBHVSA-N 2 1 332.488 3.556 20 0 EHADMP Cc1c(C)c(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1C ZINC000441204664 1022063376 /nfs/dbraw/zinc/06/33/76/1022063376.db2.gz NQTDFVDCMCDFCK-ILWGZMRPSA-N 2 1 344.543 3.912 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000164986427 1022132486 /nfs/dbraw/zinc/13/24/86/1022132486.db2.gz RZKVCEOCFSGHTK-DAYGRLMNSA-N 2 1 332.517 3.698 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000164986427 1022132492 /nfs/dbraw/zinc/13/24/92/1022132492.db2.gz RZKVCEOCFSGHTK-DAYGRLMNSA-N 2 1 332.517 3.698 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc2ccccc21 ZINC000925025059 1022137705 /nfs/dbraw/zinc/13/77/05/1022137705.db2.gz ZLFHIOQIXPPKQF-HZPDHXFCSA-N 2 1 332.513 3.789 20 0 EHADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441402302 1022217755 /nfs/dbraw/zinc/21/77/55/1022217755.db2.gz HGVHKMJWTIJGOP-ICSRJNTNSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402302 1022217763 /nfs/dbraw/zinc/21/77/63/1022217763.db2.gz HGVHKMJWTIJGOP-ICSRJNTNSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402302 1022217775 /nfs/dbraw/zinc/21/77/75/1022217775.db2.gz HGVHKMJWTIJGOP-ICSRJNTNSA-N 2 1 328.500 3.631 20 0 EHADMP COc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967935 1022231469 /nfs/dbraw/zinc/23/14/69/1022231469.db2.gz LQWGOVNPDSFQLZ-KVMCETHSSA-N 2 1 326.484 3.678 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321989 1033038920 /nfs/dbraw/zinc/03/89/20/1033038920.db2.gz MZPNVHPVTAACBM-ZBFHGGJFSA-N 2 1 326.406 3.972 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321989 1033038932 /nfs/dbraw/zinc/03/89/32/1033038932.db2.gz MZPNVHPVTAACBM-ZBFHGGJFSA-N 2 1 326.406 3.972 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425930422 1022246355 /nfs/dbraw/zinc/24/63/55/1022246355.db2.gz IICSPANAYDIAFZ-IBGZPJMESA-N 2 1 340.858 3.814 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(C)o1 ZINC000647196879 1022252971 /nfs/dbraw/zinc/25/29/71/1022252971.db2.gz QTUJCXACBVDPDG-LJQANCHMSA-N 2 1 339.483 3.621 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(C)o1 ZINC000647196879 1022252985 /nfs/dbraw/zinc/25/29/85/1022252985.db2.gz QTUJCXACBVDPDG-LJQANCHMSA-N 2 1 339.483 3.621 20 0 EHADMP COc1ccc2c(C[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2c1 ZINC001167968641 1022262058 /nfs/dbraw/zinc/26/20/58/1022262058.db2.gz UTEXFMARCLQPEN-JWTNVVGKSA-N 2 1 339.483 3.687 20 0 EHADMP Fc1cc2c(c(F)c1)CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969064 1022288024 /nfs/dbraw/zinc/28/80/24/1022288024.db2.gz YZPXABGSYXZEMR-KOLWVEQXSA-N 2 1 332.438 3.947 20 0 EHADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969064 1022288034 /nfs/dbraw/zinc/28/80/34/1022288034.db2.gz YZPXABGSYXZEMR-KOLWVEQXSA-N 2 1 332.438 3.947 20 0 EHADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969064 1022288043 /nfs/dbraw/zinc/28/80/43/1022288043.db2.gz YZPXABGSYXZEMR-KOLWVEQXSA-N 2 1 332.438 3.947 20 0 EHADMP c1ccc(OCCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000438119182 1022385480 /nfs/dbraw/zinc/38/54/80/1022385480.db2.gz JKNPOXOYGFOOOW-NQIIRXRSSA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119182 1022385496 /nfs/dbraw/zinc/38/54/96/1022385496.db2.gz JKNPOXOYGFOOOW-NQIIRXRSSA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119182 1022385508 /nfs/dbraw/zinc/38/55/08/1022385508.db2.gz JKNPOXOYGFOOOW-NQIIRXRSSA-N 2 1 328.500 3.794 20 0 EHADMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156518828 1022498853 /nfs/dbraw/zinc/49/88/53/1022498853.db2.gz OAODXDQZPJBJGB-HSMVNMDESA-N 2 1 330.394 3.532 20 0 EHADMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156518828 1022498856 /nfs/dbraw/zinc/49/88/56/1022498856.db2.gz OAODXDQZPJBJGB-HSMVNMDESA-N 2 1 330.394 3.532 20 0 EHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001167974283 1022508869 /nfs/dbraw/zinc/50/88/69/1022508869.db2.gz UKHMGDWIJVWHRA-XDNSSPFJSA-N 2 1 345.575 3.779 20 0 EHADMP Cc1cccc([C@H](C)[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969786 1022510864 /nfs/dbraw/zinc/51/08/64/1022510864.db2.gz XPZGXHXPINPATG-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969786 1022510878 /nfs/dbraw/zinc/51/08/78/1022510878.db2.gz XPZGXHXPINPATG-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@H](C)[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425969786 1022510887 /nfs/dbraw/zinc/51/08/87/1022510887.db2.gz XPZGXHXPINPATG-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@H](C)[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425969786 1022510896 /nfs/dbraw/zinc/51/08/96/1022510896.db2.gz XPZGXHXPINPATG-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000129849449 1022515750 /nfs/dbraw/zinc/51/57/50/1022515750.db2.gz JWHBBLXEQXEDDB-MBNYWOFBSA-N 2 1 341.293 3.591 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000129849449 1022515756 /nfs/dbraw/zinc/51/57/56/1022515756.db2.gz JWHBBLXEQXEDDB-MBNYWOFBSA-N 2 1 341.293 3.591 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167974881 1022550581 /nfs/dbraw/zinc/55/05/81/1022550581.db2.gz CZLZPEORXCBNEV-RHXYGLJOSA-N 2 1 341.499 3.536 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)nc1 ZINC001167974881 1022550592 /nfs/dbraw/zinc/55/05/92/1022550592.db2.gz CZLZPEORXCBNEV-RHXYGLJOSA-N 2 1 341.499 3.536 20 0 EHADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414930398 1022666469 /nfs/dbraw/zinc/66/64/69/1022666469.db2.gz ATOHOEKLHAJBFS-GXTWGEPZSA-N 2 1 327.453 3.644 20 0 EHADMP C[C@H](O)CCC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836006 1022687554 /nfs/dbraw/zinc/68/75/54/1022687554.db2.gz IEBCIDTVPRIQBQ-GHTZIAJQSA-N 2 1 344.543 3.770 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1)CC(F)(F)F ZINC001280267797 1022725596 /nfs/dbraw/zinc/72/55/96/1022725596.db2.gz AWGXPDHQWTUTFN-WBVHZDCISA-N 2 1 348.453 3.684 20 0 EHADMP C[C@@H](CN1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267797 1022725605 /nfs/dbraw/zinc/72/56/05/1022725605.db2.gz AWGXPDHQWTUTFN-WBVHZDCISA-N 2 1 348.453 3.684 20 0 EHADMP C[C@@H](CN1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267797 1022725617 /nfs/dbraw/zinc/72/56/17/1022725617.db2.gz AWGXPDHQWTUTFN-WBVHZDCISA-N 2 1 348.453 3.684 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000550239180 1022827804 /nfs/dbraw/zinc/82/78/04/1022827804.db2.gz RLMXVOJWTNZQBQ-QGZVFWFLSA-N 2 1 327.299 3.954 20 0 EHADMP C[C@](C[NH3+])([NH2+]CCCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000430575505 1022880131 /nfs/dbraw/zinc/88/01/31/1022880131.db2.gz VBHJQVDONHNMII-MRXNPFEDSA-N 2 1 330.394 3.581 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158194287 1022918580 /nfs/dbraw/zinc/91/85/80/1022918580.db2.gz FSZOBCRZAFADJN-ZFWWWQNUSA-N 2 1 330.501 3.506 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414951684 1022992302 /nfs/dbraw/zinc/99/23/02/1022992302.db2.gz PYKQURLIZWULQG-ZANVPECISA-N 2 1 340.311 3.954 20 0 EHADMP [NH3+]CCC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)CC1CCCC1 ZINC000647966026 1023027676 /nfs/dbraw/zinc/02/76/76/1023027676.db2.gz PDLCXZGZYKBBQC-UHFFFAOYSA-N 2 1 331.435 3.822 20 0 EHADMP [NH3+]CCC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)CC1CCCC1 ZINC000647966026 1023027684 /nfs/dbraw/zinc/02/76/84/1023027684.db2.gz PDLCXZGZYKBBQC-UHFFFAOYSA-N 2 1 331.435 3.822 20 0 EHADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414963519 1023101201 /nfs/dbraw/zinc/10/12/01/1023101201.db2.gz KXDLNFIOKVFCRL-KSEOMHKRSA-N 2 1 335.495 3.577 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414974552 1023208177 /nfs/dbraw/zinc/20/81/77/1023208177.db2.gz NRJSLYNXDSOTRR-CQSZACIVSA-N 2 1 343.334 3.649 20 0 EHADMP CCOc1cc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(F)c1 ZINC001143578909 1023233875 /nfs/dbraw/zinc/23/38/75/1023233875.db2.gz DQCCTDGREGEZBU-UHFFFAOYSA-N 2 1 338.442 3.671 20 0 EHADMP CCCC[NH+]1CCC(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001653 1023288094 /nfs/dbraw/zinc/28/80/94/1023288094.db2.gz FWMLHOAZIVZVTC-WCRBZPEASA-N 2 1 333.564 3.588 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000341851798 1023459659 /nfs/dbraw/zinc/45/96/59/1023459659.db2.gz HMPPRRLYKHEDIX-NRFANRHFSA-N 2 1 335.451 3.739 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000449737349 1033136980 /nfs/dbraw/zinc/13/69/80/1033136980.db2.gz ZDIQLBQCRSGQKI-BAGYTPMASA-N 2 1 335.495 3.699 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000514086972 1024120412 /nfs/dbraw/zinc/12/04/12/1024120412.db2.gz DXBYNNAGJWLTKX-OWCLPIDISA-N 2 1 328.378 3.548 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccccc1Cl ZINC000191511913 1024375021 /nfs/dbraw/zinc/37/50/21/1024375021.db2.gz VGUQXKNPCFSSGK-UHFFFAOYSA-N 2 1 335.879 3.890 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccccc1Cl ZINC000191511913 1024375036 /nfs/dbraw/zinc/37/50/36/1024375036.db2.gz VGUQXKNPCFSSGK-UHFFFAOYSA-N 2 1 335.879 3.890 20 0 EHADMP COc1cc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168005961 1024397327 /nfs/dbraw/zinc/39/73/27/1024397327.db2.gz LTZHYRNMDLHSAB-IRXDYDNUSA-N 2 1 339.483 3.621 20 0 EHADMP CC1CC[NH+](CCN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168007397 1024465218 /nfs/dbraw/zinc/46/52/18/1024465218.db2.gz RXTJHGZKTLJPAN-VTYHHJSWSA-N 2 1 343.559 3.750 20 0 EHADMP COc1ccc([C@H]2CC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)cc1 ZINC000346185756 1024468298 /nfs/dbraw/zinc/46/82/98/1024468298.db2.gz SCORWHWVUOMLMI-SFHVURJKSA-N 2 1 348.450 3.574 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN3CCCC[C@H]23)CC1 ZINC000280980578 1024519892 /nfs/dbraw/zinc/51/98/92/1024519892.db2.gz LGHFELGNEORMHE-LIKPIUCQSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000280980578 1024519898 /nfs/dbraw/zinc/51/98/98/1024519898.db2.gz LGHFELGNEORMHE-LIKPIUCQSA-N 3 1 341.543 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000280980578 1024519907 /nfs/dbraw/zinc/51/99/07/1024519907.db2.gz LGHFELGNEORMHE-LIKPIUCQSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000280980578 1024519913 /nfs/dbraw/zinc/51/99/13/1024519913.db2.gz LGHFELGNEORMHE-LIKPIUCQSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000280980578 1024519918 /nfs/dbraw/zinc/51/99/18/1024519918.db2.gz LGHFELGNEORMHE-LIKPIUCQSA-N 3 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009301 1024644433 /nfs/dbraw/zinc/64/44/33/1024644433.db2.gz ZUJHOHOLMVXLFB-UDKICSLYSA-N 2 1 338.495 3.751 20 0 EHADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCC[C@H]4CCC[C@@H]43)C2)cc1 ZINC000429689549 1024645877 /nfs/dbraw/zinc/64/58/77/1024645877.db2.gz FUXQDKKGXGAGCS-HKBOAZHASA-N 2 1 328.500 3.542 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2cccnc2)cc1 ZINC000281107930 1024663326 /nfs/dbraw/zinc/66/33/26/1024663326.db2.gz AZDVQCWSLRRRMF-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2cccnc2)cc1 ZINC000281107930 1024663332 /nfs/dbraw/zinc/66/33/32/1024663332.db2.gz AZDVQCWSLRRRMF-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000895683931 1024732909 /nfs/dbraw/zinc/73/29/09/1024732909.db2.gz YKEARPUWUUYBAJ-FQEVSTJZSA-N 2 1 329.532 3.711 20 0 EHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCc1cccs1 ZINC000435368643 1024850780 /nfs/dbraw/zinc/85/07/80/1024850780.db2.gz BZSDLXCPMWAEMW-GDBMZVCRSA-N 2 1 346.496 3.505 20 0 EHADMP CC(C)C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000474389239 1024868856 /nfs/dbraw/zinc/86/88/56/1024868856.db2.gz NBSJIOXEXUATFX-CLAROIROSA-N 2 1 344.543 4.000 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000105442641 1024942956 /nfs/dbraw/zinc/94/29/56/1024942956.db2.gz WAVUBRHFXXSCQM-AWEZNQCLSA-N 2 1 326.469 3.741 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346610738 1024950761 /nfs/dbraw/zinc/95/07/61/1024950761.db2.gz QPGLFYQVAJIBBT-QRWLVFNGSA-N 2 1 338.430 3.741 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011515 1024992166 /nfs/dbraw/zinc/99/21/66/1024992166.db2.gz PBAJIKYZNNQKAV-CEQLMSFQSA-N 3 1 331.548 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168011515 1024992177 /nfs/dbraw/zinc/99/21/77/1024992177.db2.gz PBAJIKYZNNQKAV-CEQLMSFQSA-N 2 1 331.548 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000157653881 1024999849 /nfs/dbraw/zinc/99/98/49/1024999849.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000157653881 1024999857 /nfs/dbraw/zinc/99/98/57/1024999857.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000157653881 1024999873 /nfs/dbraw/zinc/99/98/73/1024999873.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000157653881 1024999886 /nfs/dbraw/zinc/99/98/86/1024999886.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000157653881 1024999897 /nfs/dbraw/zinc/99/98/97/1024999897.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000157653881 1024999906 /nfs/dbraw/zinc/99/99/06/1024999906.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000157653881 1024999914 /nfs/dbraw/zinc/99/99/14/1024999914.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000157653881 1024999919 /nfs/dbraw/zinc/99/99/19/1024999919.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000157653881 1024999927 /nfs/dbraw/zinc/99/99/27/1024999927.db2.gz PEYFKVWKSJNZAF-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011734 1025006295 /nfs/dbraw/zinc/00/62/95/1025006295.db2.gz RQTMNIFTUNPZAZ-VTYHHJSWSA-N 2 1 343.559 3.894 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000474480407 1025036767 /nfs/dbraw/zinc/03/67/67/1025036767.db2.gz ULTZVJJJYZEBRY-SFHVURJKSA-N 2 1 340.515 3.782 20 0 EHADMP CC[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[NH2+]CC1 ZINC000435629210 1025050371 /nfs/dbraw/zinc/05/03/71/1025050371.db2.gz XDTBCMVMZBYGQC-AWEZNQCLSA-N 2 1 341.286 3.605 20 0 EHADMP CC[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[NH2+]CC1 ZINC000435629210 1025050379 /nfs/dbraw/zinc/05/03/79/1025050379.db2.gz XDTBCMVMZBYGQC-AWEZNQCLSA-N 2 1 341.286 3.605 20 0 EHADMP c1csc(C[N@H+](CCCc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435687674 1025068223 /nfs/dbraw/zinc/06/82/23/1025068223.db2.gz HXUUJZCAMQNIJI-GOSISDBHSA-N 2 1 341.524 3.720 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC[NH2+]1 ZINC000582050220 1025090866 /nfs/dbraw/zinc/09/08/66/1025090866.db2.gz YTNWVLDYALBPIR-BZUAXINKSA-N 2 1 329.513 3.864 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC[NH2+]1 ZINC000582050223 1025091002 /nfs/dbraw/zinc/09/10/02/1025091002.db2.gz YTNWVLDYALBPIR-PMPSAXMXSA-N 2 1 329.513 3.864 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000435788602 1025138009 /nfs/dbraw/zinc/13/80/09/1025138009.db2.gz BGXQXGCVFOWZHY-UHFFFAOYSA-N 2 1 338.499 3.815 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443991344 1025165971 /nfs/dbraw/zinc/16/59/71/1025165971.db2.gz VQCCAYFGYAARHU-GFCCVEGCSA-N 2 1 335.439 3.764 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000474637132 1025258150 /nfs/dbraw/zinc/25/81/50/1025258150.db2.gz WHNMROYUYHBUAF-AOIWGVFYSA-N 2 1 336.545 3.755 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000474637132 1025258163 /nfs/dbraw/zinc/25/81/63/1025258163.db2.gz WHNMROYUYHBUAF-AOIWGVFYSA-N 2 1 336.545 3.755 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000515490875 1025299943 /nfs/dbraw/zinc/29/99/43/1025299943.db2.gz UHNHTYBSVIUKMI-BBWFWOEESA-N 2 1 334.504 3.810 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(O)[C@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040458 1025332706 /nfs/dbraw/zinc/33/27/06/1025332706.db2.gz MZKVMLBZGLUZNF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(O)[C@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040458 1025332720 /nfs/dbraw/zinc/33/27/20/1025332720.db2.gz MZKVMLBZGLUZNF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040458 1025332728 /nfs/dbraw/zinc/33/27/28/1025332728.db2.gz MZKVMLBZGLUZNF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040458 1025332743 /nfs/dbraw/zinc/33/27/43/1025332743.db2.gz MZKVMLBZGLUZNF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000474706902 1025365882 /nfs/dbraw/zinc/36/58/82/1025365882.db2.gz INZSODUEKNGBPC-FAEIBLRNSA-N 2 1 342.527 3.977 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281709665 1025377970 /nfs/dbraw/zinc/37/79/70/1025377970.db2.gz TYQXRGJNZAXOOR-MOPGFXCFSA-N 2 1 326.488 3.991 20 0 EHADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515648215 1025449586 /nfs/dbraw/zinc/44/95/86/1025449586.db2.gz LFKOJEJHYXWTIV-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515648215 1025449592 /nfs/dbraw/zinc/44/95/92/1025449592.db2.gz LFKOJEJHYXWTIV-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)([NH+](C)C)C1 ZINC000442717346 1025451172 /nfs/dbraw/zinc/45/11/72/1025451172.db2.gz NPTXGYZAFJDLIV-WHSLLNHNSA-N 2 1 325.500 3.735 20 0 EHADMP CC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000451051378 1025471272 /nfs/dbraw/zinc/47/12/72/1025471272.db2.gz VBTBEUMQHDFFGS-XZOQPEGZSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000451051378 1025471287 /nfs/dbraw/zinc/47/12/87/1025471287.db2.gz VBTBEUMQHDFFGS-XZOQPEGZSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000451051378 1025471292 /nfs/dbraw/zinc/47/12/92/1025471292.db2.gz VBTBEUMQHDFFGS-XZOQPEGZSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000451051378 1025471299 /nfs/dbraw/zinc/47/12/99/1025471299.db2.gz VBTBEUMQHDFFGS-XZOQPEGZSA-N 2 1 348.490 3.843 20 0 EHADMP Clc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000530238191 1025529142 /nfs/dbraw/zinc/52/91/42/1025529142.db2.gz LIMIKWWIJDXBHW-MRXNPFEDSA-N 2 1 343.298 3.584 20 0 EHADMP Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(C2CC2)n1 ZINC000281806984 1025530193 /nfs/dbraw/zinc/53/01/93/1025530193.db2.gz GPECGEMEOAQGCL-MRXNPFEDSA-N 2 1 337.471 3.579 20 0 EHADMP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436285817 1025534400 /nfs/dbraw/zinc/53/44/00/1025534400.db2.gz RBEJHUFLNQTUSV-PXNSSMCTSA-N 2 1 332.536 3.782 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442874119 1025544264 /nfs/dbraw/zinc/54/42/64/1025544264.db2.gz LUZUYEFJVPXYND-ZDUSSCGKSA-N 2 1 344.330 3.670 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436292570 1025556175 /nfs/dbraw/zinc/55/61/75/1025556175.db2.gz SNVHFXHQRGSRAI-HXUWFJFHSA-N 2 1 330.516 3.791 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCO1 ZINC001168127601 1025609006 /nfs/dbraw/zinc/60/90/06/1025609006.db2.gz HQDRBINNDFCYKJ-GDBMZVCRSA-N 2 1 345.874 3.578 20 0 EHADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347183398 1025627383 /nfs/dbraw/zinc/62/73/83/1025627383.db2.gz WWERYRASHJBLMH-SFHVURJKSA-N 2 1 334.504 3.552 20 0 EHADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347183398 1025627402 /nfs/dbraw/zinc/62/74/02/1025627402.db2.gz WWERYRASHJBLMH-SFHVURJKSA-N 2 1 334.504 3.552 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000530321260 1025651827 /nfs/dbraw/zinc/65/18/27/1025651827.db2.gz XXZWNRVVZZKRSJ-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374622 1025684504 /nfs/dbraw/zinc/68/45/04/1025684504.db2.gz OIOGANHUWUUKGA-MAUKXSAKSA-N 2 1 332.517 3.527 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374622 1025684521 /nfs/dbraw/zinc/68/45/21/1025684521.db2.gz OIOGANHUWUUKGA-MAUKXSAKSA-N 2 1 332.517 3.527 20 0 EHADMP C[N@@H+](CCC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000548720456 1025744089 /nfs/dbraw/zinc/74/40/89/1025744089.db2.gz MRZFNNFMUIDGEE-UHFFFAOYSA-N 2 1 349.563 3.554 20 0 EHADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407239 1025778639 /nfs/dbraw/zinc/77/86/39/1025778639.db2.gz GZDKQPYZSJVNSX-UXHICEINSA-N 2 1 327.472 3.676 20 0 EHADMP COCc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000657387090 1025783503 /nfs/dbraw/zinc/78/35/03/1025783503.db2.gz PXCKFVWWIVZYQQ-OXQOHEQNSA-N 2 1 344.524 3.895 20 0 EHADMP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000657387090 1025783515 /nfs/dbraw/zinc/78/35/15/1025783515.db2.gz PXCKFVWWIVZYQQ-OXQOHEQNSA-N 2 1 344.524 3.895 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301343 1025786452 /nfs/dbraw/zinc/78/64/52/1025786452.db2.gz BXDCVRFLSLFCDM-ZWKOTPCHSA-N 2 1 342.433 3.638 20 0 EHADMP Cc1ccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000684836007 1025988975 /nfs/dbraw/zinc/98/89/75/1025988975.db2.gz NSCQLAMFWCJEAA-UHFFFAOYSA-N 2 1 337.511 3.965 20 0 EHADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229075 1026059678 /nfs/dbraw/zinc/05/96/78/1026059678.db2.gz AYWBGDPZOUVHLM-INIZCTEOSA-N 2 1 336.442 3.543 20 0 EHADMP C[C@@H]1C[C@@H](n2nnc3ccc(C[NH3+])cc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017491 1026078641 /nfs/dbraw/zinc/07/86/41/1026078641.db2.gz ASSAHEIDCOXGOB-HGKCTWBKSA-N 2 1 349.482 3.504 20 0 EHADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000657413566 1026104612 /nfs/dbraw/zinc/10/46/12/1026104612.db2.gz LYBILRYMIAILAI-AZUAARDMSA-N 2 1 348.531 3.558 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192166075 1026114711 /nfs/dbraw/zinc/11/47/11/1026114711.db2.gz FCEXXVGORAVZAY-LBPRGKRZSA-N 2 1 331.685 3.534 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(-c3ccccc3)n2)CC1 ZINC000475130215 1026215679 /nfs/dbraw/zinc/21/56/79/1026215679.db2.gz OZPZPHHDBICFOC-UHFFFAOYSA-N 2 1 327.497 3.870 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2csc(-c3ccccc3)n2)CC1 ZINC000475130215 1026215689 /nfs/dbraw/zinc/21/56/89/1026215689.db2.gz OZPZPHHDBICFOC-UHFFFAOYSA-N 2 1 327.497 3.870 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2C2CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168056789 1026253598 /nfs/dbraw/zinc/25/35/98/1026253598.db2.gz IOULXMLIGPWBST-JWWGGVBKSA-N 2 1 328.500 3.539 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2C2CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168056789 1026253608 /nfs/dbraw/zinc/25/36/08/1026253608.db2.gz IOULXMLIGPWBST-JWWGGVBKSA-N 2 1 328.500 3.539 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000125202693 1026475943 /nfs/dbraw/zinc/47/59/43/1026475943.db2.gz JTXPPCTWNDJPLH-ROUUACIJSA-N 3 1 329.532 3.532 20 0 EHADMP CC(C)O[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168062382 1026527352 /nfs/dbraw/zinc/52/73/52/1026527352.db2.gz KNERGNVYSLZZGE-YHELAOLJSA-N 2 1 330.516 3.927 20 0 EHADMP CC(C)O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168062382 1026527360 /nfs/dbraw/zinc/52/73/60/1026527360.db2.gz KNERGNVYSLZZGE-YHELAOLJSA-N 2 1 330.516 3.927 20 0 EHADMP CC(C)O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168062382 1026527367 /nfs/dbraw/zinc/52/73/67/1026527367.db2.gz KNERGNVYSLZZGE-YHELAOLJSA-N 2 1 330.516 3.927 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000582554159 1026581105 /nfs/dbraw/zinc/58/11/05/1026581105.db2.gz FAUBRCUBCFSXHS-OAHLLOKOSA-N 2 1 344.528 3.568 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000582554159 1026581120 /nfs/dbraw/zinc/58/11/20/1026581120.db2.gz FAUBRCUBCFSXHS-OAHLLOKOSA-N 2 1 344.528 3.568 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000531152757 1026613530 /nfs/dbraw/zinc/61/35/30/1026613530.db2.gz PDOUEOUXPKHMHU-AVRDEDQJSA-N 2 1 348.490 3.963 20 0 EHADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922185 1026640868 /nfs/dbraw/zinc/64/08/68/1026640868.db2.gz OBFNNYHKYCYEBI-KRWDZBQOSA-N 2 1 346.421 3.900 20 0 EHADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192922185 1026640875 /nfs/dbraw/zinc/64/08/75/1026640875.db2.gz OBFNNYHKYCYEBI-KRWDZBQOSA-N 2 1 346.421 3.900 20 0 EHADMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933969 1026645952 /nfs/dbraw/zinc/64/59/52/1026645952.db2.gz GOQNLPDBIPEWQA-IBGZPJMESA-N 2 1 346.478 3.688 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000531178189 1026672564 /nfs/dbraw/zinc/67/25/64/1026672564.db2.gz FGVZLXJVXVSUIS-CALCHBBNSA-N 2 1 334.479 3.537 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000342678432 1026690776 /nfs/dbraw/zinc/69/07/76/1026690776.db2.gz YODMXOPKVUZTLF-ZIAGYGMSSA-N 2 1 325.884 3.659 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000342678432 1026690782 /nfs/dbraw/zinc/69/07/82/1026690782.db2.gz YODMXOPKVUZTLF-ZIAGYGMSSA-N 2 1 325.884 3.659 20 0 EHADMP C[NH+](C)C1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301212182 1026725445 /nfs/dbraw/zinc/72/54/45/1026725445.db2.gz VPQTWFUCAUBMPB-UHFFFAOYSA-N 2 1 334.261 3.528 20 0 EHADMP COc1cccc2c(NC[C@H](c3ccco3)[NH+](C)C)cc(C)[nH+]c12 ZINC000301637242 1026884708 /nfs/dbraw/zinc/88/47/08/1026884708.db2.gz AHAMNXBOGLGCDW-MRXNPFEDSA-N 2 1 325.412 3.860 20 0 EHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CC2)CC1 ZINC000301780059 1026935621 /nfs/dbraw/zinc/93/56/21/1026935621.db2.gz IKRPHSDNDJYKQU-UHFFFAOYSA-N 2 1 335.373 3.786 20 0 EHADMP Cc1ccc2[nH+]ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)c2c1 ZINC000302106879 1027055577 /nfs/dbraw/zinc/05/55/77/1027055577.db2.gz ABSVZQJXKJRRPI-UHFFFAOYSA-N 2 1 347.462 3.988 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C[NH+]1CCCCC1 ZINC000125609983 1027099048 /nfs/dbraw/zinc/09/90/48/1027099048.db2.gz NPWPCLMPSUQCGP-ROUUACIJSA-N 2 1 343.515 3.586 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccn(C)c3)cc2)C1 ZINC000123325041 1027171732 /nfs/dbraw/zinc/17/17/32/1027171732.db2.gz BYTGOWVDQOLLKQ-HDICACEKSA-N 2 1 325.500 3.793 20 0 EHADMP COCc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000582730520 1027197848 /nfs/dbraw/zinc/19/78/48/1027197848.db2.gz ZBHHNJOWKSNCEB-FPOVZHCZSA-N 2 1 342.458 3.897 20 0 EHADMP COCc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000582730520 1027197859 /nfs/dbraw/zinc/19/78/59/1027197859.db2.gz ZBHHNJOWKSNCEB-FPOVZHCZSA-N 2 1 342.458 3.897 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000513712660 1027215795 /nfs/dbraw/zinc/21/57/95/1027215795.db2.gz DZLOYSQYAZKEBW-KBMXLJTQSA-N 2 1 327.299 3.998 20 0 EHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1C(F)(F)F ZINC000414431291 1027216995 /nfs/dbraw/zinc/21/69/95/1027216995.db2.gz HHRRQDOAFDMFFK-HNNXBMFYSA-N 2 1 344.421 3.604 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000531715340 1027241390 /nfs/dbraw/zinc/24/13/90/1027241390.db2.gz MWTPVGRVMQOQGO-ZBEGNZNMSA-N 2 1 341.268 3.507 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)CCCC2)CC1 ZINC000531719503 1027266028 /nfs/dbraw/zinc/26/60/28/1027266028.db2.gz XGXJBYIAYNLFDQ-RTBURBONSA-N 2 1 334.548 3.968 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000273197959 1027308358 /nfs/dbraw/zinc/30/83/58/1027308358.db2.gz QYQZQIKNYXKPQX-QEUVDIPISA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000273197959 1027308383 /nfs/dbraw/zinc/30/83/83/1027308383.db2.gz QYQZQIKNYXKPQX-QEUVDIPISA-N 2 1 330.516 3.834 20 0 EHADMP Cc1ccsc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123444407 1027310561 /nfs/dbraw/zinc/31/05/61/1027310561.db2.gz KUBJFHOCDQEMEZ-CALCHBBNSA-N 2 1 344.524 3.956 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncn1 ZINC000453061671 1027315077 /nfs/dbraw/zinc/31/50/77/1027315077.db2.gz LHMPGGUKTJERSR-KURKYZTESA-N 2 1 338.499 3.805 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cccnc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453078930 1027332273 /nfs/dbraw/zinc/33/22/73/1027332273.db2.gz KZJPQTNIFKZOLJ-FDFHNCONSA-N 2 1 335.495 3.657 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453088787 1027348829 /nfs/dbraw/zinc/34/88/29/1027348829.db2.gz OEBDKCRAKOZGBO-QGZVFWFLSA-N 2 1 348.288 3.565 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH+]3CCCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453092472 1027353662 /nfs/dbraw/zinc/35/36/62/1027353662.db2.gz QOQKIGVGPUVFJS-FSSWDIPSSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453092472 1027353680 /nfs/dbraw/zinc/35/36/80/1027353680.db2.gz QOQKIGVGPUVFJS-FSSWDIPSSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453092472 1027353689 /nfs/dbraw/zinc/35/36/89/1027353689.db2.gz QOQKIGVGPUVFJS-FSSWDIPSSA-N 3 1 341.543 3.505 20 0 EHADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453096558 1027362096 /nfs/dbraw/zinc/36/20/96/1027362096.db2.gz UBDXIZZGGXZVQT-BDTNDASRSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000453106655 1027375901 /nfs/dbraw/zinc/37/59/01/1027375901.db2.gz ZCDIEDATVNWQHK-UYAOXDASSA-N 2 1 349.950 3.593 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453117748 1027392637 /nfs/dbraw/zinc/39/26/37/1027392637.db2.gz IGYFLAOCZGMJLL-NJDAHSKKSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[N@H+]1C ZINC000453122596 1027399728 /nfs/dbraw/zinc/39/97/28/1027399728.db2.gz QJFVCUUPQFWIRQ-MSEOUXRUSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH+]1C ZINC000453122596 1027399748 /nfs/dbraw/zinc/39/97/48/1027399748.db2.gz QJFVCUUPQFWIRQ-MSEOUXRUSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH+]1C ZINC000453122596 1027399767 /nfs/dbraw/zinc/39/97/67/1027399767.db2.gz QJFVCUUPQFWIRQ-MSEOUXRUSA-N 3 1 341.543 3.502 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453144631 1027409954 /nfs/dbraw/zinc/40/99/54/1027409954.db2.gz GWUPTGJMGWFMTJ-INIZCTEOSA-N 2 1 326.488 3.611 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000897473428 1027418282 /nfs/dbraw/zinc/41/82/82/1027418282.db2.gz YUKQUPLQBHXVLI-XOKHGSTOSA-N 2 1 337.305 3.769 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453133804 1027437577 /nfs/dbraw/zinc/43/75/77/1027437577.db2.gz RJGKICYVXOMKBX-BRWVUGGUSA-N 2 1 326.406 3.972 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453138806 1027446338 /nfs/dbraw/zinc/44/63/38/1027446338.db2.gz DTOHYTPCGMEYAQ-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309544 1027457661 /nfs/dbraw/zinc/45/76/61/1027457661.db2.gz OOSYORJRZAQXIL-HZUJVAHNSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309544 1027457672 /nfs/dbraw/zinc/45/76/72/1027457672.db2.gz OOSYORJRZAQXIL-HZUJVAHNSA-N 2 1 347.462 3.761 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420327379 1027478628 /nfs/dbraw/zinc/47/86/28/1027478628.db2.gz YOVFVPCSIYIDEJ-GOSISDBHSA-N 2 1 340.515 3.721 20 0 EHADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C1CC[NH2+]CC1 ZINC000420369408 1027494382 /nfs/dbraw/zinc/49/43/82/1027494382.db2.gz IXBKYNJIYDQCSM-MRXNPFEDSA-N 2 1 333.545 3.591 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000560548515 1027499988 /nfs/dbraw/zinc/49/99/88/1027499988.db2.gz HAJOAHVRMBDOKC-GVDBMIGSSA-N 2 1 326.406 3.976 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000501816243 1027574578 /nfs/dbraw/zinc/57/45/78/1027574578.db2.gz YIWBKJARYQGAQQ-XFFZJAGNSA-N 2 1 330.516 3.770 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000129913225 1027617582 /nfs/dbraw/zinc/61/75/82/1027617582.db2.gz PNCXXKBSCVUCOL-HNNXBMFYSA-N 2 1 344.890 3.648 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000129913225 1027617593 /nfs/dbraw/zinc/61/75/93/1027617593.db2.gz PNCXXKBSCVUCOL-HNNXBMFYSA-N 2 1 344.890 3.648 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155245 1027640442 /nfs/dbraw/zinc/64/04/42/1027640442.db2.gz YGASAKVDSDJUPP-QJPTWQEYSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155245 1027640452 /nfs/dbraw/zinc/64/04/52/1027640452.db2.gz YGASAKVDSDJUPP-QJPTWQEYSA-N 2 1 329.307 3.788 20 0 EHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342856297 1027679208 /nfs/dbraw/zinc/67/92/08/1027679208.db2.gz DRQGAMMVLNBZJS-WIYYLYMNSA-N 2 1 340.515 3.739 20 0 EHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342856297 1027679216 /nfs/dbraw/zinc/67/92/16/1027679216.db2.gz DRQGAMMVLNBZJS-WIYYLYMNSA-N 2 1 340.515 3.739 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000414656452 1027722311 /nfs/dbraw/zinc/72/23/11/1027722311.db2.gz MVWRUDLHNULLBP-GOSISDBHSA-N 2 1 340.467 3.919 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000414656452 1027722331 /nfs/dbraw/zinc/72/23/31/1027722331.db2.gz MVWRUDLHNULLBP-GOSISDBHSA-N 2 1 340.467 3.919 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000414676016 1027821213 /nfs/dbraw/zinc/82/12/13/1027821213.db2.gz MRRRFIUEAYVIJL-ZFWWWQNUSA-N 2 1 342.430 3.507 20 0 EHADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422692665 1027872020 /nfs/dbraw/zinc/87/20/20/1027872020.db2.gz KQUHEGKZORCNBQ-PWRODBHTSA-N 2 1 329.532 3.539 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000339067858 1027895493 /nfs/dbraw/zinc/89/54/93/1027895493.db2.gz JVJUFSQHVDAAGZ-YADHBBJMSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000339067858 1027895511 /nfs/dbraw/zinc/89/55/11/1027895511.db2.gz JVJUFSQHVDAAGZ-YADHBBJMSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000339067858 1027895530 /nfs/dbraw/zinc/89/55/30/1027895530.db2.gz JVJUFSQHVDAAGZ-YADHBBJMSA-N 2 1 341.543 3.635 20 0 EHADMP FC(F)Oc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422760727 1027901754 /nfs/dbraw/zinc/90/17/54/1027901754.db2.gz HARYZTSGKNPORC-GOSISDBHSA-N 2 1 332.394 3.719 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422736491 1027904881 /nfs/dbraw/zinc/90/48/81/1027904881.db2.gz GGLNKLPBYCYUED-PCCBWWKXSA-N 3 1 329.532 3.539 20 0 EHADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422736491 1027904892 /nfs/dbraw/zinc/90/48/92/1027904892.db2.gz GGLNKLPBYCYUED-PCCBWWKXSA-N 2 1 329.532 3.539 20 0 EHADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422736491 1027904903 /nfs/dbraw/zinc/90/49/03/1027904903.db2.gz GGLNKLPBYCYUED-PCCBWWKXSA-N 2 1 329.532 3.539 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000422745261 1027913080 /nfs/dbraw/zinc/91/30/80/1027913080.db2.gz LSGSLMIPZUBMSI-FGTMMUONSA-N 2 1 335.561 3.771 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420956964 1027926781 /nfs/dbraw/zinc/92/67/81/1027926781.db2.gz BEYCGEJEDLBJSN-INIZCTEOSA-N 2 1 348.288 3.661 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420956964 1027926793 /nfs/dbraw/zinc/92/67/93/1027926793.db2.gz BEYCGEJEDLBJSN-INIZCTEOSA-N 2 1 348.288 3.661 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422853565 1027990886 /nfs/dbraw/zinc/99/08/86/1027990886.db2.gz ZFAIQCAQPSELSS-DENIHFKCSA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422853567 1027991763 /nfs/dbraw/zinc/99/17/63/1027991763.db2.gz ZFAIQCAQPSELSS-SIKLNZKXSA-N 2 1 343.559 3.594 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862109 1027997338 /nfs/dbraw/zinc/99/73/38/1027997338.db2.gz NKPFFMXJQFONGA-LQWHRVPQSA-N 3 1 329.532 3.539 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422868045 1028003527 /nfs/dbraw/zinc/00/35/27/1028003527.db2.gz UEYOZHLWAYOWDN-PGRDOPGGSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422868045 1028003548 /nfs/dbraw/zinc/00/35/48/1028003548.db2.gz UEYOZHLWAYOWDN-PGRDOPGGSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422868045 1028003565 /nfs/dbraw/zinc/00/35/65/1028003565.db2.gz UEYOZHLWAYOWDN-PGRDOPGGSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422868045 1028003582 /nfs/dbraw/zinc/00/35/82/1028003582.db2.gz UEYOZHLWAYOWDN-PGRDOPGGSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422868045 1028003602 /nfs/dbraw/zinc/00/36/02/1028003602.db2.gz UEYOZHLWAYOWDN-PGRDOPGGSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccsc1 ZINC000421019587 1028007684 /nfs/dbraw/zinc/00/76/84/1028007684.db2.gz YHYJXCJNRKQWOR-SFHVURJKSA-N 2 1 337.577 3.936 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422886800 1028023315 /nfs/dbraw/zinc/02/33/15/1028023315.db2.gz XSUZQPYHXGGSEH-IAGOWNOFSA-N 2 1 336.357 3.862 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888583 1028024076 /nfs/dbraw/zinc/02/40/76/1028024076.db2.gz DATZSCPBLOWVRP-JADJLQFSSA-N 3 1 341.543 3.537 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888583 1028024092 /nfs/dbraw/zinc/02/40/92/1028024092.db2.gz DATZSCPBLOWVRP-JADJLQFSSA-N 2 1 341.543 3.537 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888583 1028024108 /nfs/dbraw/zinc/02/41/08/1028024108.db2.gz DATZSCPBLOWVRP-JADJLQFSSA-N 2 1 341.543 3.537 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423008944 1028121806 /nfs/dbraw/zinc/12/18/06/1028121806.db2.gz UWTTYBNSUAIOTO-LAUBAEHRSA-N 3 1 341.499 3.519 20 0 EHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423008944 1028121814 /nfs/dbraw/zinc/12/18/14/1028121814.db2.gz UWTTYBNSUAIOTO-LAUBAEHRSA-N 2 1 341.499 3.519 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2CC)[C@@H](C)C1 ZINC000444682785 1028153951 /nfs/dbraw/zinc/15/39/51/1028153951.db2.gz BWCWQFBYQPGOFF-GHTZIAJQSA-N 2 1 332.532 3.518 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423064596 1028158746 /nfs/dbraw/zinc/15/87/46/1028158746.db2.gz RZEAHLDPMNMMJU-FDFHNCONSA-N 2 1 335.495 3.631 20 0 EHADMP Cc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)cc1 ZINC000423089532 1028177174 /nfs/dbraw/zinc/17/71/74/1028177174.db2.gz VIMNLNKUCRRSFK-JTSKRJEESA-N 2 1 346.478 3.992 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423149453 1028210074 /nfs/dbraw/zinc/21/00/74/1028210074.db2.gz ARXXPDLOHASIKJ-CDJZJNNCSA-N 2 1 342.527 3.707 20 0 EHADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000503925309 1028215349 /nfs/dbraw/zinc/21/53/49/1028215349.db2.gz CIKDPHYEOMMHPD-QGZVFWFLSA-N 2 1 339.483 3.895 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000503925309 1028215362 /nfs/dbraw/zinc/21/53/62/1028215362.db2.gz CIKDPHYEOMMHPD-QGZVFWFLSA-N 2 1 339.483 3.895 20 0 EHADMP CC(C)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001167636966 1028223659 /nfs/dbraw/zinc/22/36/59/1028223659.db2.gz ZXPDZSVUNSGBFR-UHFFFAOYSA-N 2 1 330.516 3.777 20 0 EHADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423175779 1028245450 /nfs/dbraw/zinc/24/54/50/1028245450.db2.gz FCCQVHVBNXZMCT-DJIMGWMZSA-N 2 1 337.305 3.768 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc2c(s1)CCCC2 ZINC000423182111 1028249758 /nfs/dbraw/zinc/24/97/58/1028249758.db2.gz DUXLZQWVUVKWDG-HNNXBMFYSA-N 2 1 329.513 3.852 20 0 EHADMP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194612 1028265567 /nfs/dbraw/zinc/26/55/67/1028265567.db2.gz ZFPNQPYAXRWAIM-HXUWFJFHSA-N 2 1 334.467 3.710 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)ccc1OC(F)F ZINC000423203611 1028271520 /nfs/dbraw/zinc/27/15/20/1028271520.db2.gz SSTDUCQCPDZMSR-CYBMUJFWSA-N 2 1 342.430 3.999 20 0 EHADMP CCn1ccnc1C[N@@H+](CC1CCC(C)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414723973 1028272997 /nfs/dbraw/zinc/27/29/97/1028272997.db2.gz QUMHVACSBFMEHC-CTWPCTMYSA-N 2 1 344.547 3.673 20 0 EHADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423265513 1028301976 /nfs/dbraw/zinc/30/19/76/1028301976.db2.gz BCAZRCZUVDRWGA-NVXWUHKLSA-N 2 1 327.497 3.823 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)cc1 ZINC000421368259 1028327321 /nfs/dbraw/zinc/32/73/21/1028327321.db2.gz BTHBETHWZJAUFS-LJQANCHMSA-N 2 1 344.568 3.816 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294379 1028351437 /nfs/dbraw/zinc/35/14/37/1028351437.db2.gz UITURBVJASZTBH-LUGPXAIHSA-N 3 1 349.522 3.992 20 0 EHADMP C[C@@H]([NH3+])c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000423294379 1028351454 /nfs/dbraw/zinc/35/14/54/1028351454.db2.gz UITURBVJASZTBH-LUGPXAIHSA-N 2 1 349.522 3.992 20 0 EHADMP C[C@@H]([NH3+])c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294379 1028351473 /nfs/dbraw/zinc/35/14/73/1028351473.db2.gz UITURBVJASZTBH-LUGPXAIHSA-N 2 1 349.522 3.992 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423320995 1028353256 /nfs/dbraw/zinc/35/32/56/1028353256.db2.gz FWAJXXLRLWTCFY-IFXJQAMLSA-N 2 1 346.906 3.874 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(C)n1 ZINC000421390826 1028363168 /nfs/dbraw/zinc/36/31/68/1028363168.db2.gz VHBJCURCYJHAIP-BHDDXSALSA-N 2 1 335.495 3.699 20 0 EHADMP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)F)CC2)cc1F ZINC000423376305 1028396641 /nfs/dbraw/zinc/39/66/41/1028396641.db2.gz UVVXWKXQSDJCSX-FLHNKZHLSA-N 2 1 344.396 3.824 20 0 EHADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)cc2)cc1 ZINC000423403962 1028423310 /nfs/dbraw/zinc/42/33/10/1028423310.db2.gz SIVXWCYBFKHEIG-PNHOKKKMSA-N 2 1 328.431 3.511 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423442141 1028432462 /nfs/dbraw/zinc/43/24/62/1028432462.db2.gz VAMYOAKEHLLPTN-PMXSJFBMSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423442141 1028432472 /nfs/dbraw/zinc/43/24/72/1028432472.db2.gz VAMYOAKEHLLPTN-PMXSJFBMSA-N 2 1 329.532 3.537 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CCC3)cc1 ZINC000423436034 1028444360 /nfs/dbraw/zinc/44/43/60/1028444360.db2.gz FERLZVTVDOTSGT-SLEUVZQESA-N 2 1 331.485 3.521 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000224540010 1028481603 /nfs/dbraw/zinc/48/16/03/1028481603.db2.gz SOXRHQRPSCUIGW-UHFFFAOYSA-N 2 1 333.701 3.922 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000224540010 1028481609 /nfs/dbraw/zinc/48/16/09/1028481609.db2.gz SOXRHQRPSCUIGW-UHFFFAOYSA-N 2 1 333.701 3.922 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423505807 1028469651 /nfs/dbraw/zinc/46/96/51/1028469651.db2.gz GRWXUUYWPFQWAU-CZUORRHYSA-N 2 1 334.460 3.583 20 0 EHADMP CCc1ccc([C@H](CC)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423510235 1028488082 /nfs/dbraw/zinc/48/80/82/1028488082.db2.gz MJOJKSOEZHSWSJ-CBNMVNINSA-N 2 1 329.532 3.506 20 0 EHADMP Cc1ncc(C[NH2+]CC2(N(C)Cc3ccccc3)CCCCC2)n1C ZINC000714231798 1028499153 /nfs/dbraw/zinc/49/91/53/1028499153.db2.gz QTBYIYIEZWAKRR-UHFFFAOYSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(C)cc1 ZINC000548783600 1028528986 /nfs/dbraw/zinc/52/89/86/1028528986.db2.gz RAPVCTBPOUJCDM-UHFFFAOYSA-N 2 1 331.548 3.623 20 0 EHADMP C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414757938 1028585670 /nfs/dbraw/zinc/58/56/70/1028585670.db2.gz MCJRCUOGQRICGR-RDBSUJKOSA-N 2 1 325.294 3.830 20 0 EHADMP CCC[N@H+](C)Cc1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000445178739 1028591780 /nfs/dbraw/zinc/59/17/80/1028591780.db2.gz ABUYYXXWNLRPTF-UHFFFAOYSA-N 2 1 342.487 3.810 20 0 EHADMP CCC[N@@H+](C)Cc1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000445178739 1028591795 /nfs/dbraw/zinc/59/17/95/1028591795.db2.gz ABUYYXXWNLRPTF-UHFFFAOYSA-N 2 1 342.487 3.810 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CC12CCOCC2 ZINC000414775956 1028842844 /nfs/dbraw/zinc/84/28/44/1028842844.db2.gz CPRDHLRDHWSFCT-KRWDZBQOSA-N 2 1 342.508 3.602 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1C(F)(F)F ZINC000248123413 1028849994 /nfs/dbraw/zinc/84/99/94/1028849994.db2.gz NQBRCECMGNSDMM-CABCVRRESA-N 2 1 344.421 3.593 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000248409898 1028893169 /nfs/dbraw/zinc/89/31/69/1028893169.db2.gz XGWPKTBSLCFYLG-MXEMCNAFSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248450431 1028907673 /nfs/dbraw/zinc/90/76/73/1028907673.db2.gz OZNQTHLANASBSC-AVRDEDQJSA-N 2 1 338.495 3.803 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424268114 1028922988 /nfs/dbraw/zinc/92/29/88/1028922988.db2.gz NGXLGJAWCBSRHC-NRFANRHFSA-N 2 1 335.580 3.743 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424289083 1028931057 /nfs/dbraw/zinc/93/10/57/1028931057.db2.gz LKNAKBQBSKKQFR-HNNXBMFYSA-N 2 1 327.497 3.774 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1CCOc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424296647 1028935277 /nfs/dbraw/zinc/93/52/77/1028935277.db2.gz SDGQLXCNLWVAAY-CYBMUJFWSA-N 2 1 343.298 3.836 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC000424296361 1028938224 /nfs/dbraw/zinc/93/82/24/1028938224.db2.gz FSMMZXFQJODKFA-JBINPLMMSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424270554 1028940823 /nfs/dbraw/zinc/94/08/23/1028940823.db2.gz QQQTUYHJJIAYSI-KRWDZBQOSA-N 2 1 326.469 3.612 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC000424271400 1028945591 /nfs/dbraw/zinc/94/55/91/1028945591.db2.gz RUXYUPYRACQUCV-FXELSEDVSA-N 2 1 330.516 3.820 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC000424324052 1028971575 /nfs/dbraw/zinc/97/15/75/1028971575.db2.gz WPZZMTGEZDBYRW-ZTRCUUGNSA-N 2 1 342.527 3.833 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC000424324052 1028971589 /nfs/dbraw/zinc/97/15/89/1028971589.db2.gz WPZZMTGEZDBYRW-ZTRCUUGNSA-N 2 1 342.527 3.833 20 0 EHADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435788 1029007650 /nfs/dbraw/zinc/00/76/50/1029007650.db2.gz BAERTVXETFKDIW-OAHLLOKOSA-N 2 1 325.294 3.659 20 0 EHADMP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789264 1029078723 /nfs/dbraw/zinc/07/87/23/1029078723.db2.gz YGINFCOEFAVIBG-SJORKVTESA-N 2 1 347.934 3.762 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000897527959 1029099624 /nfs/dbraw/zinc/09/96/24/1029099624.db2.gz UZOBHJHLWOBFID-OAHLLOKOSA-N 2 1 325.456 3.527 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(Br)CC2)CC1 ZINC001167658888 1029195432 /nfs/dbraw/zinc/19/54/32/1029195432.db2.gz LRUXXUDTPYLFQO-OAHLLOKOSA-N 2 1 343.353 3.890 20 0 EHADMP CC[NH+](CC)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245749249 1029239167 /nfs/dbraw/zinc/23/91/67/1029239167.db2.gz TUYFTQAAVDTFHH-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(CO)c2)c1 ZINC000271954566 1029245671 /nfs/dbraw/zinc/24/56/71/1029245671.db2.gz KRUFLYTULYUHKC-QGZVFWFLSA-N 2 1 326.484 3.870 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000272043788 1029287027 /nfs/dbraw/zinc/28/70/27/1029287027.db2.gz YLKLRJZIBCNKOS-UHFFFAOYSA-N 2 1 342.668 3.787 20 0 EHADMP C[N@H+](Cc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285636977 1029299385 /nfs/dbraw/zinc/29/93/85/1029299385.db2.gz XMHRLTZJVSXYAU-XYPWUTKMSA-N 2 1 341.268 3.645 20 0 EHADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285636977 1029299404 /nfs/dbraw/zinc/29/94/04/1029299404.db2.gz XMHRLTZJVSXYAU-XYPWUTKMSA-N 2 1 341.268 3.645 20 0 EHADMP C[NH+](Cc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285636977 1029299418 /nfs/dbraw/zinc/29/94/18/1029299418.db2.gz XMHRLTZJVSXYAU-XYPWUTKMSA-N 2 1 341.268 3.645 20 0 EHADMP C[NH+](Cc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285636977 1029299431 /nfs/dbraw/zinc/29/94/31/1029299431.db2.gz XMHRLTZJVSXYAU-XYPWUTKMSA-N 2 1 341.268 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272157946 1029337292 /nfs/dbraw/zinc/33/72/92/1029337292.db2.gz FLHMKILSTKYUNG-OXQOHEQNSA-N 2 1 334.467 3.563 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414816731 1029371727 /nfs/dbraw/zinc/37/17/27/1029371727.db2.gz QIJCTWVDVXATCW-BXUZGUMPSA-N 2 1 331.273 3.626 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261751135 1029496612 /nfs/dbraw/zinc/49/66/12/1029496612.db2.gz QCQVZLFVMDBWTK-HRAATJIYSA-N 2 1 337.467 3.671 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414838354 1029523172 /nfs/dbraw/zinc/52/31/72/1029523172.db2.gz KLJXFTMRTUJDLP-JRGCBEDISA-N 2 1 329.532 3.537 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272649751 1029550626 /nfs/dbraw/zinc/55/06/26/1029550626.db2.gz JZUCMXCNWLUZDH-JAXLGGSGSA-N 3 1 345.575 3.997 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272649751 1029550630 /nfs/dbraw/zinc/55/06/30/1029550630.db2.gz JZUCMXCNWLUZDH-JAXLGGSGSA-N 2 1 345.575 3.997 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC000272676228 1029562900 /nfs/dbraw/zinc/56/29/00/1029562900.db2.gz USCHNOJVVZYYIE-RDBSUJKOSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC000272676228 1029562909 /nfs/dbraw/zinc/56/29/09/1029562909.db2.gz USCHNOJVVZYYIE-RDBSUJKOSA-N 2 1 342.314 3.644 20 0 EHADMP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000272683328 1029565758 /nfs/dbraw/zinc/56/57/58/1029565758.db2.gz SXESSCWFISDCQW-LPHOPBHVSA-N 2 1 343.540 3.803 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCCC[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000729814923 1029567849 /nfs/dbraw/zinc/56/78/49/1029567849.db2.gz KPHIHSRDNMFIDN-FGYAAKKASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCCC[NH+]1C[C@H](C)OC[C@@H]1CC ZINC000729814923 1029567857 /nfs/dbraw/zinc/56/78/57/1029567857.db2.gz KPHIHSRDNMFIDN-FGYAAKKASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCCCC[NH+]1C[C@H](C)OC[C@@H]1CC ZINC000729814923 1029567863 /nfs/dbraw/zinc/56/78/63/1029567863.db2.gz KPHIHSRDNMFIDN-FGYAAKKASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nccn1C ZINC000246064285 1029621704 /nfs/dbraw/zinc/62/17/04/1029621704.db2.gz RTZBVXJFPJGJOB-YQQAZPJKSA-N 2 1 332.517 3.605 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1nccn1C ZINC000246064285 1029621708 /nfs/dbraw/zinc/62/17/08/1029621708.db2.gz RTZBVXJFPJGJOB-YQQAZPJKSA-N 2 1 332.517 3.605 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717345 1029797617 /nfs/dbraw/zinc/79/76/17/1029797617.db2.gz LOLOIOANCQULQB-QUCCMNQESA-N 2 1 332.532 3.818 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2COC)[C@H](C)C1 ZINC000508727221 1029836117 /nfs/dbraw/zinc/83/61/17/1029836117.db2.gz PBOKPVBYQLHPEF-IUPPMXBZSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2COC)[C@H](C)C1 ZINC000508727221 1029836126 /nfs/dbraw/zinc/83/61/26/1029836126.db2.gz PBOKPVBYQLHPEF-IUPPMXBZSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2COC)[C@H](C)C1 ZINC000508727221 1029836137 /nfs/dbraw/zinc/83/61/37/1029836137.db2.gz PBOKPVBYQLHPEF-IUPPMXBZSA-N 2 1 330.516 3.898 20 0 EHADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000278274517 1029884848 /nfs/dbraw/zinc/88/48/48/1029884848.db2.gz PKZNXCSDUYQZID-OAHLLOKOSA-N 2 1 344.455 3.757 20 0 EHADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000278274517 1029884854 /nfs/dbraw/zinc/88/48/54/1029884854.db2.gz PKZNXCSDUYQZID-OAHLLOKOSA-N 2 1 344.455 3.757 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000481744165 1029903953 /nfs/dbraw/zinc/90/39/53/1029903953.db2.gz YZPYJYUFNFNTDH-IUODEOHRSA-N 2 1 331.287 3.692 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000635007183 1029932073 /nfs/dbraw/zinc/93/20/73/1029932073.db2.gz AJXFPCRRNCPYOK-GXTWGEPZSA-N 2 1 334.895 3.656 20 0 EHADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000635003971 1029938366 /nfs/dbraw/zinc/93/83/66/1029938366.db2.gz GFJOMXHHZBUHMJ-GLOJMNGXSA-N 3 1 341.543 3.537 20 0 EHADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000635003971 1029938384 /nfs/dbraw/zinc/93/83/84/1029938384.db2.gz GFJOMXHHZBUHMJ-GLOJMNGXSA-N 2 1 341.543 3.537 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000157679560 1029983449 /nfs/dbraw/zinc/98/34/49/1029983449.db2.gz SLOAYIWMNUCBDW-LMEGTBPZSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000157679560 1029983464 /nfs/dbraw/zinc/98/34/64/1029983464.db2.gz SLOAYIWMNUCBDW-LMEGTBPZSA-N 2 1 337.305 3.767 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706246 1029990861 /nfs/dbraw/zinc/99/08/61/1029990861.db2.gz GYKAQYRZJVGVGM-PWRODBHTSA-N 2 1 330.516 3.603 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000650707820 1030004010 /nfs/dbraw/zinc/00/40/10/1030004010.db2.gz NOVDXIFMMYUONH-OPYAIIAOSA-N 2 1 340.467 3.665 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708422 1030028231 /nfs/dbraw/zinc/02/82/31/1030028231.db2.gz ZJZGWUDYCQNYTR-BXWFABGCSA-N 2 1 336.907 3.621 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000453288921 1030034333 /nfs/dbraw/zinc/03/43/33/1030034333.db2.gz LUJXQCFJIAFQJD-HSMVNMDESA-N 2 1 331.287 3.691 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CCOCC1 ZINC000531950717 1030121505 /nfs/dbraw/zinc/12/15/05/1030121505.db2.gz WLEVBVQMJUUJNO-SFHVURJKSA-N 2 1 331.435 3.615 20 0 EHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453387019 1030168444 /nfs/dbraw/zinc/16/84/44/1030168444.db2.gz AQWMDGGTVJKJEH-PMACEKPBSA-N 2 1 344.499 3.632 20 0 EHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650724432 1030224131 /nfs/dbraw/zinc/22/41/31/1030224131.db2.gz GDRVAWXJYUTHPG-TWGBQZSLSA-N 2 1 342.527 3.858 20 0 EHADMP CCc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482155190 1030230987 /nfs/dbraw/zinc/23/09/87/1030230987.db2.gz HOCNJZSEKABONG-RTBURBONSA-N 2 1 345.531 3.678 20 0 EHADMP Cn1ccc([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)n1 ZINC000453392452 1030239345 /nfs/dbraw/zinc/23/93/45/1030239345.db2.gz FLBOTOJDKOZPAY-LJQANCHMSA-N 2 1 346.906 3.627 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453397281 1030249321 /nfs/dbraw/zinc/24/93/21/1030249321.db2.gz IAOFUNHVLXKLAM-FDKIHUSFSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000453420172 1030270304 /nfs/dbraw/zinc/27/03/04/1030270304.db2.gz ZLBUAQBCIDXXSQ-FQEVSTJZSA-N 2 1 327.447 3.774 20 0 EHADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1Br ZINC000453601664 1030391316 /nfs/dbraw/zinc/39/13/16/1030391316.db2.gz VBSCLXHNPGUTLD-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCc3ccco3)CC2)cc1 ZINC000657782421 1030453019 /nfs/dbraw/zinc/45/30/19/1030453019.db2.gz LHHNKNNFDSWWIX-UHFFFAOYSA-N 2 1 330.447 3.648 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000378301219 1030486149 /nfs/dbraw/zinc/48/61/49/1030486149.db2.gz HPXIHBYNJXRMIW-UHFFFAOYSA-N 2 1 337.471 3.536 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000378301219 1030486160 /nfs/dbraw/zinc/48/61/60/1030486160.db2.gz HPXIHBYNJXRMIW-UHFFFAOYSA-N 2 1 337.471 3.536 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088565 1030558031 /nfs/dbraw/zinc/55/80/31/1030558031.db2.gz CPFVHWJQSHHYJC-UHFFFAOYSA-N 2 1 340.515 3.769 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000482635901 1030610593 /nfs/dbraw/zinc/61/05/93/1030610593.db2.gz UYFFRRZELNVRNT-NWSQWKLXSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000482635901 1030610598 /nfs/dbraw/zinc/61/05/98/1030610598.db2.gz UYFFRRZELNVRNT-NWSQWKLXSA-N 2 1 349.522 3.766 20 0 EHADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806577 1030810584 /nfs/dbraw/zinc/81/05/84/1030810584.db2.gz AOYKKUIBQGPKIL-CABCVRRESA-N 2 1 331.460 3.654 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550994961 1030873050 /nfs/dbraw/zinc/87/30/50/1030873050.db2.gz XPXDPRSQOAJYDB-NHCUHLMSSA-N 2 1 338.495 3.971 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550994961 1030873070 /nfs/dbraw/zinc/87/30/70/1030873070.db2.gz XPXDPRSQOAJYDB-NHCUHLMSSA-N 2 1 338.495 3.971 20 0 EHADMP COC1(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000483308923 1031101727 /nfs/dbraw/zinc/10/17/27/1031101727.db2.gz KBZZPHISVMJCEN-UHFFFAOYSA-N 2 1 331.504 3.579 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515528 1031199792 /nfs/dbraw/zinc/19/97/92/1031199792.db2.gz QETNXAXLKGZROJ-WZONZLPQSA-N 2 1 349.522 3.772 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100059 1031329337 /nfs/dbraw/zinc/32/93/37/1031329337.db2.gz FPJSMAIGZRVKGN-XJKSGUPXSA-N 2 1 342.405 3.523 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945142 1031407114 /nfs/dbraw/zinc/40/71/14/1031407114.db2.gz NENWIWCZXZIQHN-AWEZNQCLSA-N 2 1 328.859 3.522 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945142 1031407121 /nfs/dbraw/zinc/40/71/21/1031407121.db2.gz NENWIWCZXZIQHN-AWEZNQCLSA-N 2 1 328.859 3.522 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945142 1031407131 /nfs/dbraw/zinc/40/71/31/1031407131.db2.gz NENWIWCZXZIQHN-AWEZNQCLSA-N 2 1 328.859 3.522 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945142 1031407138 /nfs/dbraw/zinc/40/71/38/1031407138.db2.gz NENWIWCZXZIQHN-AWEZNQCLSA-N 2 1 328.859 3.522 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000545186701 1031469991 /nfs/dbraw/zinc/46/99/91/1031469991.db2.gz MSZJPVJTBRCCAK-GOSISDBHSA-N 2 1 340.467 3.741 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000545186701 1031470005 /nfs/dbraw/zinc/47/00/05/1031470005.db2.gz MSZJPVJTBRCCAK-GOSISDBHSA-N 2 1 340.467 3.741 20 0 EHADMP CCCOc1c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cccc1OCC ZINC000666999514 1031484287 /nfs/dbraw/zinc/48/42/87/1031484287.db2.gz RBYBDEWOCUYIRU-KRWDZBQOSA-N 2 1 332.488 3.638 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000484309331 1031527797 /nfs/dbraw/zinc/52/77/97/1031527797.db2.gz OMJRWLUIIDNYJH-TZIWHRDSSA-N 2 1 344.543 3.820 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343592977 1031551631 /nfs/dbraw/zinc/55/16/31/1031551631.db2.gz AHGWPPMOCVTAMQ-MJGOQNOKSA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343592977 1031551640 /nfs/dbraw/zinc/55/16/40/1031551640.db2.gz AHGWPPMOCVTAMQ-MJGOQNOKSA-N 2 1 344.890 3.551 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000178036511 1031612194 /nfs/dbraw/zinc/61/21/94/1031612194.db2.gz QHDQBBPSPXRANX-QKLQHJQFSA-N 2 1 334.504 3.625 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000178091855 1031622963 /nfs/dbraw/zinc/62/29/63/1031622963.db2.gz YLLKCWSQRRAJSM-DLBZAZTESA-N 2 1 340.515 3.811 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657824970 1031636460 /nfs/dbraw/zinc/63/64/60/1031636460.db2.gz XTPCROGVXPVXAX-MRXNPFEDSA-N 2 1 343.284 3.969 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000551795705 1031676624 /nfs/dbraw/zinc/67/66/24/1031676624.db2.gz QHCSEEFCTHTTTB-LSDHHAIUSA-N 2 1 339.911 3.906 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1Cl ZINC000179394897 1031745549 /nfs/dbraw/zinc/74/55/49/1031745549.db2.gz FOAHUHZMFAQYRH-UHFFFAOYSA-N 2 1 344.890 3.869 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000179109086 1031751846 /nfs/dbraw/zinc/75/18/46/1031751846.db2.gz NFQCSPGSPYHIAD-MGPUTAFESA-N 2 1 339.483 3.820 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)o1 ZINC000278652403 1031825208 /nfs/dbraw/zinc/82/52/08/1031825208.db2.gz IENRFQDRYUPHFA-OXJNMPFZSA-N 2 1 342.483 3.704 20 0 EHADMP CCOC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000657834387 1031903251 /nfs/dbraw/zinc/90/32/51/1031903251.db2.gz OBUVXIGNMXTNQS-UHFFFAOYSA-N 2 1 330.516 3.631 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537943707 1032028682 /nfs/dbraw/zinc/02/86/82/1032028682.db2.gz XQSKKEYBCWLHDC-RLLQIKCJSA-N 2 1 332.532 3.530 20 0 EHADMP CC[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456745 1033348398 /nfs/dbraw/zinc/34/83/98/1033348398.db2.gz VVGUNYKVAXYPMZ-UHFFFAOYSA-N 2 1 340.446 3.557 20 0 EHADMP CC[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456745 1033348408 /nfs/dbraw/zinc/34/84/08/1033348408.db2.gz VVGUNYKVAXYPMZ-UHFFFAOYSA-N 2 1 340.446 3.557 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCCC(C)C ZINC000105480865 1033476023 /nfs/dbraw/zinc/47/60/23/1033476023.db2.gz JGMQKWQKKWHCDE-AEFFLSMTSA-N 2 1 334.504 3.550 20 0 EHADMP C[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000574822604 1033574981 /nfs/dbraw/zinc/57/49/81/1033574981.db2.gz LKPQBFGCGCGYKJ-SFHVURJKSA-N 2 1 346.559 3.599 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550621504 1033734432 /nfs/dbraw/zinc/73/44/32/1033734432.db2.gz CYDDWXGBPAUEOV-DGCLKSJQSA-N 2 1 343.334 3.819 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550621504 1033734448 /nfs/dbraw/zinc/73/44/48/1033734448.db2.gz CYDDWXGBPAUEOV-DGCLKSJQSA-N 2 1 343.334 3.819 20 0 EHADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000608577947 1033773117 /nfs/dbraw/zinc/77/31/17/1033773117.db2.gz DYIOIFQBNTXQDW-IAGOWNOFSA-N 2 1 330.607 3.812 20 0 EHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000599168877 1033785741 /nfs/dbraw/zinc/78/57/41/1033785741.db2.gz ZOLKJTNBWQAYJA-OAQYLSRUSA-N 2 1 343.559 3.586 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000599168877 1033785750 /nfs/dbraw/zinc/78/57/50/1033785750.db2.gz ZOLKJTNBWQAYJA-OAQYLSRUSA-N 2 1 343.559 3.586 20 0 EHADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000669690523 1033792243 /nfs/dbraw/zinc/79/22/43/1033792243.db2.gz ACZAUUFLYVILLF-QFIPXVFZSA-N 2 1 343.559 3.658 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000550644642 1033809833 /nfs/dbraw/zinc/80/98/33/1033809833.db2.gz WDHWZOQFEGHIGS-NRSPTQNISA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550644642 1033809848 /nfs/dbraw/zinc/80/98/48/1033809848.db2.gz WDHWZOQFEGHIGS-NRSPTQNISA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550644642 1033809875 /nfs/dbraw/zinc/80/98/75/1033809875.db2.gz WDHWZOQFEGHIGS-NRSPTQNISA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550644642 1033809894 /nfs/dbraw/zinc/80/98/94/1033809894.db2.gz WDHWZOQFEGHIGS-NRSPTQNISA-N 3 1 329.532 3.532 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550644642 1033809907 /nfs/dbraw/zinc/80/99/07/1033809907.db2.gz WDHWZOQFEGHIGS-NRSPTQNISA-N 3 1 329.532 3.532 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000658137452 1033998869 /nfs/dbraw/zinc/99/88/69/1033998869.db2.gz GWKUTGYFLHUBKE-GHTZIAJQSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000534063998 1034064359 /nfs/dbraw/zinc/06/43/59/1034064359.db2.gz ZTEQVOAYWZPPSH-GFOJFJKKSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000119103287 1034084189 /nfs/dbraw/zinc/08/41/89/1034084189.db2.gz OSQWAHOSEMGGSJ-ZDUSSCGKSA-N 2 1 346.441 3.589 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000658215620 1034098331 /nfs/dbraw/zinc/09/83/31/1034098331.db2.gz KBCFUQOKYRYVGT-WYNBGMTASA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421819753 1034237585 /nfs/dbraw/zinc/23/75/85/1034237585.db2.gz IVBBPWMOHLITGI-WSTZPKSXSA-N 2 1 329.532 3.677 20 0 EHADMP CSCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000596652013 1034331036 /nfs/dbraw/zinc/33/10/36/1034331036.db2.gz WVLVGTWULOAGNC-UNLQRWGISA-N 2 1 336.520 3.783 20 0 EHADMP C[NH+](C)C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000605026328 1034597589 /nfs/dbraw/zinc/59/75/89/1034597589.db2.gz ONPWWKLHTFRCHL-HYXAFXHYSA-N 2 1 337.305 3.878 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000597228735 1034607537 /nfs/dbraw/zinc/60/75/37/1034607537.db2.gz GHKURVIJJALVBS-GBESFXJTSA-N 2 1 330.541 3.772 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000597228734 1034609016 /nfs/dbraw/zinc/60/90/16/1034609016.db2.gz GHKURVIJJALVBS-CEXWTWQISA-N 2 1 330.541 3.772 20 0 EHADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000375849303 1034715020 /nfs/dbraw/zinc/71/50/20/1034715020.db2.gz HBIFQMWOSMFCSQ-XUVXKRRUSA-N 2 1 327.472 3.523 20 0 EHADMP C[C@H](NCc1ccccc1OC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725174 1034716384 /nfs/dbraw/zinc/71/63/84/1034716384.db2.gz HXGJKRWZWYFVFM-WMZOPIPTSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450725174 1034716391 /nfs/dbraw/zinc/71/63/91/1034716391.db2.gz HXGJKRWZWYFVFM-WMZOPIPTSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725174 1034716401 /nfs/dbraw/zinc/71/64/01/1034716401.db2.gz HXGJKRWZWYFVFM-WMZOPIPTSA-N 2 1 328.500 3.970 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000375888148 1034837195 /nfs/dbraw/zinc/83/71/95/1034837195.db2.gz KJTJDTGGRYUQCE-JRRMTSHWSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000375888148 1034837205 /nfs/dbraw/zinc/83/72/05/1034837205.db2.gz KJTJDTGGRYUQCE-JRRMTSHWSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000375888148 1034837218 /nfs/dbraw/zinc/83/72/18/1034837218.db2.gz KJTJDTGGRYUQCE-JRRMTSHWSA-N 3 1 341.543 3.646 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000540643849 1035534295 /nfs/dbraw/zinc/53/42/95/1035534295.db2.gz ASPIOTHAKYONEJ-UHFFFAOYSA-N 2 1 339.266 3.621 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414113198 1035575728 /nfs/dbraw/zinc/57/57/28/1035575728.db2.gz KKYFFNGPWHPNLK-FUHWJXTLSA-N 2 1 336.907 3.677 20 0 EHADMP C[C@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351900 1035654245 /nfs/dbraw/zinc/65/42/45/1035654245.db2.gz NUKOEWWLIXFKNX-PKOBYXMFSA-N 2 1 342.458 3.705 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)[nH+]1 ZINC000414128077 1035669861 /nfs/dbraw/zinc/66/98/61/1035669861.db2.gz SWQDHQZVWSSKPQ-MSOLQXFVSA-N 2 1 345.531 3.931 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1)C(C)C ZINC000457049624 1035685999 /nfs/dbraw/zinc/68/59/99/1035685999.db2.gz KLJSNUUTNVURTH-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000534869782 1035698460 /nfs/dbraw/zinc/69/84/60/1035698460.db2.gz LIUOHXWMLUWOBM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000534869782 1035698469 /nfs/dbraw/zinc/69/84/69/1035698469.db2.gz LIUOHXWMLUWOBM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000534869782 1035698478 /nfs/dbraw/zinc/69/84/78/1035698478.db2.gz LIUOHXWMLUWOBM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000534869782 1035698485 /nfs/dbraw/zinc/69/84/85/1035698485.db2.gz LIUOHXWMLUWOBM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136035 1035702214 /nfs/dbraw/zinc/70/22/14/1035702214.db2.gz HPHPKARTABPLTP-HKUYNNGSSA-N 2 1 349.950 3.592 20 0 EHADMP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1Cl ZINC000414161829 1035830652 /nfs/dbraw/zinc/83/06/52/1035830652.db2.gz CPBVULLHFKOMJB-GFCCVEGCSA-N 2 1 345.830 3.856 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000414169696 1035868883 /nfs/dbraw/zinc/86/88/83/1035868883.db2.gz BKISMMBVPZIFOK-ZIAGYGMSSA-N 2 1 325.294 3.832 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414175430 1035899242 /nfs/dbraw/zinc/89/92/42/1035899242.db2.gz IFRWMFDGQSYHHI-IRXDYDNUSA-N 2 1 346.519 3.599 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000414179416 1035925219 /nfs/dbraw/zinc/92/52/19/1035925219.db2.gz KQUHJKNQJKZKAV-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(C(F)(F)F)c1 ZINC000414180639 1035934107 /nfs/dbraw/zinc/93/41/07/1035934107.db2.gz LKBBTHDDEVKESQ-QGZVFWFLSA-N 2 1 349.356 3.830 20 0 EHADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572036574 1035952947 /nfs/dbraw/zinc/95/29/47/1035952947.db2.gz VXWYKBVGVCWBEI-IBGZPJMESA-N 2 1 330.516 3.572 20 0 EHADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572036574 1035952964 /nfs/dbraw/zinc/95/29/64/1035952964.db2.gz VXWYKBVGVCWBEI-IBGZPJMESA-N 2 1 330.516 3.572 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+](C(C)(C)C)CC1 ZINC000535083873 1035974141 /nfs/dbraw/zinc/97/41/41/1035974141.db2.gz IDVAPOGPEHBBDP-UHFFFAOYSA-N 2 1 345.575 3.951 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000535083873 1035974156 /nfs/dbraw/zinc/97/41/56/1035974156.db2.gz IDVAPOGPEHBBDP-UHFFFAOYSA-N 2 1 345.575 3.951 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000535083873 1035974172 /nfs/dbraw/zinc/97/41/72/1035974172.db2.gz IDVAPOGPEHBBDP-UHFFFAOYSA-N 2 1 345.575 3.951 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000535083126 1035975163 /nfs/dbraw/zinc/97/51/63/1035975163.db2.gz JWEJRIVFMNKJMN-UHFFFAOYSA-N 2 1 326.488 3.629 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000613491558 1036082191 /nfs/dbraw/zinc/08/21/91/1036082191.db2.gz XYMRVIRILBDDEO-UHFFFAOYSA-N 2 1 340.515 3.816 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414233050 1036195469 /nfs/dbraw/zinc/19/54/69/1036195469.db2.gz QWHHMAZTERQJMN-XLIONFOSSA-N 2 1 347.547 3.606 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414233050 1036195483 /nfs/dbraw/zinc/19/54/83/1036195483.db2.gz QWHHMAZTERQJMN-XLIONFOSSA-N 2 1 347.547 3.606 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nc1 ZINC000892572878 1036201953 /nfs/dbraw/zinc/20/19/53/1036201953.db2.gz MAOZPHJARBNIJZ-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc(OC(F)(F)F)c1 ZINC001143468107 1036252048 /nfs/dbraw/zinc/25/20/48/1036252048.db2.gz BDSXOHSUFNLBAL-UHFFFAOYSA-N 2 1 342.405 3.811 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1 ZINC000191060655 1036333120 /nfs/dbraw/zinc/33/31/20/1036333120.db2.gz WLYHQDGKPWUSOW-MGPUTAFESA-N 2 1 327.472 3.773 20 0 EHADMP CSC1(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC[NH+](C)CC1 ZINC000589345398 1036357892 /nfs/dbraw/zinc/35/78/92/1036357892.db2.gz FRFGVCHXZSMYQO-INIZCTEOSA-N 2 1 342.499 3.670 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000414283854 1036436842 /nfs/dbraw/zinc/43/68/42/1036436842.db2.gz JVRBAJZRUMZXFO-KRWDZBQOSA-N 2 1 338.499 3.561 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000398006611 1036484239 /nfs/dbraw/zinc/48/42/39/1036484239.db2.gz BEWRDIWEPSZMKH-DENIHFKCSA-N 2 1 338.495 3.956 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000398006611 1036484254 /nfs/dbraw/zinc/48/42/54/1036484254.db2.gz BEWRDIWEPSZMKH-DENIHFKCSA-N 2 1 338.495 3.956 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4cccnc4c3)CC2)cc1 ZINC000589633534 1036567233 /nfs/dbraw/zinc/56/72/33/1036567233.db2.gz MOMKNPMEYHZWQX-UHFFFAOYSA-N 2 1 331.463 3.989 20 0 EHADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccn(C)n1 ZINC000541743755 1036612901 /nfs/dbraw/zinc/61/29/01/1036612901.db2.gz NZHOHSIYHAIUHZ-FQEVSTJZSA-N 2 1 340.515 3.893 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc3ccccc32)C1 ZINC000464788119 1036788904 /nfs/dbraw/zinc/78/89/04/1036788904.db2.gz HYFMQGCLYUECBO-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788119 1036788919 /nfs/dbraw/zinc/78/89/19/1036788919.db2.gz HYFMQGCLYUECBO-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788119 1036788938 /nfs/dbraw/zinc/78/89/38/1036788938.db2.gz HYFMQGCLYUECBO-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000311039163 1036946570 /nfs/dbraw/zinc/94/65/70/1036946570.db2.gz UXWAIYBQNWICMO-HXUWFJFHSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000311039163 1036946582 /nfs/dbraw/zinc/94/65/82/1036946582.db2.gz UXWAIYBQNWICMO-HXUWFJFHSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000311039163 1036946597 /nfs/dbraw/zinc/94/65/97/1036946597.db2.gz UXWAIYBQNWICMO-HXUWFJFHSA-N 2 1 341.543 3.505 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn3ccsc3n2)CC1 ZINC000178389812 1037032547 /nfs/dbraw/zinc/03/25/47/1037032547.db2.gz UDCHKXXQGBPDHQ-MRXNPFEDSA-N 2 1 346.544 3.872 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000178389812 1037032561 /nfs/dbraw/zinc/03/25/61/1037032561.db2.gz UDCHKXXQGBPDHQ-MRXNPFEDSA-N 2 1 346.544 3.872 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000178389812 1037032580 /nfs/dbraw/zinc/03/25/80/1037032580.db2.gz UDCHKXXQGBPDHQ-MRXNPFEDSA-N 2 1 346.544 3.872 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000311792505 1037041007 /nfs/dbraw/zinc/04/10/07/1037041007.db2.gz YNOOAMQAJMZFBJ-MDZLAQPJSA-N 2 1 341.318 3.714 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000311792505 1037041021 /nfs/dbraw/zinc/04/10/21/1037041021.db2.gz YNOOAMQAJMZFBJ-MDZLAQPJSA-N 2 1 341.318 3.714 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000590786459 1037056806 /nfs/dbraw/zinc/05/68/06/1037056806.db2.gz BCQVUDLTCVRNTK-UHFFFAOYSA-N 2 1 327.472 3.894 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)nn1C ZINC000282103860 1037064610 /nfs/dbraw/zinc/06/46/10/1037064610.db2.gz ISZMXXRBQTUEIF-GOSISDBHSA-N 2 1 340.515 3.811 20 0 EHADMP Brc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543917 1037097163 /nfs/dbraw/zinc/09/71/63/1037097163.db2.gz ULBXNLAXZDARLR-CHWSQXEVSA-N 2 1 343.334 3.722 20 0 EHADMP [NH3+]Cc1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)cc1 ZINC000647552950 1037180276 /nfs/dbraw/zinc/18/02/76/1037180276.db2.gz BOXQUPWKTPWQEA-UHFFFAOYSA-N 2 1 326.774 3.690 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092746 1037241339 /nfs/dbraw/zinc/24/13/39/1037241339.db2.gz ZDSNKEDRACATMW-PZJWPPBQSA-N 2 1 343.559 3.609 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835665 1037260598 /nfs/dbraw/zinc/26/05/98/1037260598.db2.gz LPIAQNFQMKGEOM-INIZCTEOSA-N 2 1 326.431 3.637 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835665 1037260608 /nfs/dbraw/zinc/26/06/08/1037260608.db2.gz LPIAQNFQMKGEOM-INIZCTEOSA-N 2 1 326.431 3.637 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835665 1037260625 /nfs/dbraw/zinc/26/06/25/1037260625.db2.gz LPIAQNFQMKGEOM-INIZCTEOSA-N 2 1 326.431 3.637 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835665 1037260644 /nfs/dbraw/zinc/26/06/44/1037260644.db2.gz LPIAQNFQMKGEOM-INIZCTEOSA-N 2 1 326.431 3.637 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@@H]2CCC[C@@H]21 ZINC000573116186 1037291472 /nfs/dbraw/zinc/29/14/72/1037291472.db2.gz SNRRXMWJVZQCMC-UFYCRDLUSA-N 2 1 337.467 3.836 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3ccncc3C)C2)s1 ZINC000573123352 1037295639 /nfs/dbraw/zinc/29/56/39/1037295639.db2.gz GAUDIPJHBIAJAB-GOSISDBHSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3ccncc3C)C2)s1 ZINC000573123352 1037295658 /nfs/dbraw/zinc/29/56/58/1037295658.db2.gz GAUDIPJHBIAJAB-GOSISDBHSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3ccncc3C)C2)s1 ZINC000573123352 1037295677 /nfs/dbraw/zinc/29/56/77/1037295677.db2.gz GAUDIPJHBIAJAB-GOSISDBHSA-N 2 1 343.540 3.756 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@@H]21 ZINC000462793881 1037405589 /nfs/dbraw/zinc/40/55/89/1037405589.db2.gz SRXJRSGCJMSUNO-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@@H]21 ZINC000462793881 1037405596 /nfs/dbraw/zinc/40/55/96/1037405596.db2.gz SRXJRSGCJMSUNO-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@@H]21 ZINC000462793881 1037405606 /nfs/dbraw/zinc/40/56/06/1037405606.db2.gz SRXJRSGCJMSUNO-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000303638515 1037624462 /nfs/dbraw/zinc/62/44/62/1037624462.db2.gz RQGQKKBXEFEDHP-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000303638515 1037624477 /nfs/dbraw/zinc/62/44/77/1037624477.db2.gz RQGQKKBXEFEDHP-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000303638515 1037624485 /nfs/dbraw/zinc/62/44/85/1037624485.db2.gz RQGQKKBXEFEDHP-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000303638515 1037624491 /nfs/dbraw/zinc/62/44/91/1037624491.db2.gz RQGQKKBXEFEDHP-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Fc1ccc(-c2nc(C[NH+]3CCC(n4ccnc4)CC3)co2)cc1F ZINC000109796882 1037683011 /nfs/dbraw/zinc/68/30/11/1037683011.db2.gz NYPJLPBYQBRPFE-UHFFFAOYSA-N 2 1 344.365 3.653 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030644 1037687026 /nfs/dbraw/zinc/68/70/26/1037687026.db2.gz UDMMLZMWJDPVJT-MJGOQNOKSA-N 2 1 348.531 3.607 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c2C1 ZINC000573688242 1037743768 /nfs/dbraw/zinc/74/37/68/1037743768.db2.gz QZKZXZUMPVMXDX-KXBFYZLASA-N 2 1 331.504 3.606 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124047 1037775769 /nfs/dbraw/zinc/77/57/69/1037775769.db2.gz MDVCRVIEBVUCQG-GIVPXCGWSA-N 2 1 345.575 3.996 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463139367 1037801635 /nfs/dbraw/zinc/80/16/35/1037801635.db2.gz CLXBKLQEFKQYGD-URVUXULASA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463139367 1037801656 /nfs/dbraw/zinc/80/16/56/1037801656.db2.gz CLXBKLQEFKQYGD-URVUXULASA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463139367 1037801678 /nfs/dbraw/zinc/80/16/78/1037801678.db2.gz CLXBKLQEFKQYGD-URVUXULASA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000271433853 1037891162 /nfs/dbraw/zinc/89/11/62/1037891162.db2.gz CJHHNBSIQFRVSR-HRAATJIYSA-N 2 1 342.458 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463240405 1037925919 /nfs/dbraw/zinc/92/59/19/1037925919.db2.gz PUVCYHJGWUBPRY-NQIIRXRSSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463240405 1037925940 /nfs/dbraw/zinc/92/59/40/1037925940.db2.gz PUVCYHJGWUBPRY-NQIIRXRSSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245063 1037930679 /nfs/dbraw/zinc/93/06/79/1037930679.db2.gz AQNLNVYMKXYFJW-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245063 1037930686 /nfs/dbraw/zinc/93/06/86/1037930686.db2.gz AQNLNVYMKXYFJW-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245063 1037930700 /nfs/dbraw/zinc/93/07/00/1037930700.db2.gz AQNLNVYMKXYFJW-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463245063 1037930709 /nfs/dbraw/zinc/93/07/09/1037930709.db2.gz AQNLNVYMKXYFJW-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245063 1037930711 /nfs/dbraw/zinc/93/07/11/1037930711.db2.gz AQNLNVYMKXYFJW-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1SC ZINC000592394569 1037936159 /nfs/dbraw/zinc/93/61/59/1037936159.db2.gz ILLXOECIQAOHIO-XEKGUZQTSA-N 2 1 345.512 3.740 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)c1OC ZINC000573987941 1037964858 /nfs/dbraw/zinc/96/48/58/1037964858.db2.gz MKTBNEUOXDGERW-KLAILNCOSA-N 2 1 332.488 3.680 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463269330 1037971972 /nfs/dbraw/zinc/97/19/72/1037971972.db2.gz UOPFQPRGECUJGK-BRKWEVRTSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463269330 1037971994 /nfs/dbraw/zinc/97/19/94/1037971994.db2.gz UOPFQPRGECUJGK-BRKWEVRTSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000125109710 1038281083 /nfs/dbraw/zinc/28/10/83/1038281083.db2.gz IHFLPQOGVOLRKY-WIRSXHRWSA-N 2 1 329.532 3.530 20 0 EHADMP COc1ccc([C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000125431008 1038327021 /nfs/dbraw/zinc/32/70/21/1038327021.db2.gz LTKIQCWPFFXXOW-LJQANCHMSA-N 2 1 343.471 3.826 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000125431008 1038327032 /nfs/dbraw/zinc/32/70/32/1038327032.db2.gz LTKIQCWPFFXXOW-LJQANCHMSA-N 2 1 343.471 3.826 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000125501502 1038337177 /nfs/dbraw/zinc/33/71/77/1038337177.db2.gz PERJOARTUWXEEX-QGZVFWFLSA-N 2 1 327.428 3.538 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000125501502 1038337186 /nfs/dbraw/zinc/33/71/86/1038337186.db2.gz PERJOARTUWXEEX-QGZVFWFLSA-N 2 1 327.428 3.538 20 0 EHADMP COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1O ZINC000538724606 1038493098 /nfs/dbraw/zinc/49/30/98/1038493098.db2.gz SGXKIRWYSSHHRJ-QGZVFWFLSA-N 2 1 346.515 3.877 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000538749957 1038513684 /nfs/dbraw/zinc/51/36/84/1038513684.db2.gz PMKSODPHGUVIGH-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000538749957 1038513688 /nfs/dbraw/zinc/51/36/88/1038513688.db2.gz PMKSODPHGUVIGH-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000659993747 1038644883 /nfs/dbraw/zinc/64/48/83/1038644883.db2.gz RFMIRMFEOGDRAI-NJYVYQBISA-N 3 1 347.591 3.551 20 0 EHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659993747 1038644886 /nfs/dbraw/zinc/64/48/86/1038644886.db2.gz RFMIRMFEOGDRAI-NJYVYQBISA-N 3 1 347.591 3.551 20 0 EHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659993747 1038644888 /nfs/dbraw/zinc/64/48/88/1038644888.db2.gz RFMIRMFEOGDRAI-NJYVYQBISA-N 3 1 347.591 3.551 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090787 1038678602 /nfs/dbraw/zinc/67/86/02/1038678602.db2.gz NLDCUCHEGLICLH-DYESRHJHSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090787 1038678605 /nfs/dbraw/zinc/67/86/05/1038678605.db2.gz NLDCUCHEGLICLH-DYESRHJHSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000237532983 1038786088 /nfs/dbraw/zinc/78/60/88/1038786088.db2.gz JQMAPAAASAVJDI-INIZCTEOSA-N 2 1 338.451 3.731 20 0 EHADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000668820705 1038835130 /nfs/dbraw/zinc/83/51/30/1038835130.db2.gz XNBFIFQIOIBIGJ-XRTORIHISA-N 2 1 334.454 3.922 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000924830240 1038872692 /nfs/dbraw/zinc/87/26/92/1038872692.db2.gz WATUOMGUVUOMBX-NHCUHLMSSA-N 2 1 330.516 3.822 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000124390612 1038891444 /nfs/dbraw/zinc/89/14/44/1038891444.db2.gz WKHRIPSPUGACQI-STQMWFEESA-N 2 1 328.378 3.720 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000479916264 1038894024 /nfs/dbraw/zinc/89/40/24/1038894024.db2.gz SFMZHKQPAPDFMD-HZPDHXFCSA-N 2 1 343.515 3.831 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H]2CCC[C@@H]21 ZINC000552249982 1039091798 /nfs/dbraw/zinc/09/17/98/1039091798.db2.gz RLOKKCHGDUFYET-KBMXLJTQSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H]2CCC[C@@H]21 ZINC000552249982 1039091815 /nfs/dbraw/zinc/09/18/15/1039091815.db2.gz RLOKKCHGDUFYET-KBMXLJTQSA-N 2 1 341.268 3.551 20 0 EHADMP CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552251355 1039131395 /nfs/dbraw/zinc/13/13/95/1039131395.db2.gz SYUVJONSQSXROF-PWRODBHTSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924696842 1039134037 /nfs/dbraw/zinc/13/40/37/1039134037.db2.gz GSAAOLSYFQWXAR-RPCJCACASA-N 2 1 328.500 3.507 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000488420103 1039157773 /nfs/dbraw/zinc/15/77/73/1039157773.db2.gz ICGZYVQTMQKMAK-VQTJNVASSA-N 2 1 332.557 3.813 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCc5cccnc54)C[C@@H]3C2)cc1 ZINC000898517126 1039186328 /nfs/dbraw/zinc/18/63/28/1039186328.db2.gz JKQYGUSWILZOBN-CBPXPLCBSA-N 2 1 347.506 3.959 20 0 EHADMP Cc1cnc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898519781 1039193214 /nfs/dbraw/zinc/19/32/14/1039193214.db2.gz RGUDFROGFMFQNQ-QYZOEREBSA-N 2 1 341.524 3.842 20 0 EHADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCC(C)C ZINC000432801274 1039262965 /nfs/dbraw/zinc/26/29/65/1039262965.db2.gz VERCBOJAEJOPRV-SFHVURJKSA-N 2 1 334.504 3.646 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCC(C)C ZINC000432801274 1039262972 /nfs/dbraw/zinc/26/29/72/1039262972.db2.gz VERCBOJAEJOPRV-SFHVURJKSA-N 2 1 334.504 3.646 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417308710 1039660929 /nfs/dbraw/zinc/66/09/29/1039660929.db2.gz IDBFBFRYTHOTPD-FGTMMUONSA-N 2 1 348.556 3.865 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549780006 1039847642 /nfs/dbraw/zinc/84/76/42/1039847642.db2.gz RNVSNQFVNVWPQE-MRXNPFEDSA-N 2 1 344.449 3.980 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1O ZINC000668587021 1039889118 /nfs/dbraw/zinc/88/91/18/1039889118.db2.gz INUBTPUUINDZAL-WMZOPIPTSA-N 2 1 346.515 3.719 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1O ZINC000668587021 1039889147 /nfs/dbraw/zinc/88/91/47/1039889147.db2.gz INUBTPUUINDZAL-WMZOPIPTSA-N 2 1 346.515 3.719 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633954 1040113497 /nfs/dbraw/zinc/11/34/97/1040113497.db2.gz SLQZFPRNGAYJRN-FPMFFAJLSA-N 2 1 341.268 3.866 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633954 1040113502 /nfs/dbraw/zinc/11/35/02/1040113502.db2.gz SLQZFPRNGAYJRN-FPMFFAJLSA-N 2 1 341.268 3.866 20 0 EHADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441973 1040233747 /nfs/dbraw/zinc/23/37/47/1040233747.db2.gz BSJZRDBZFOREPR-DWLFOUALSA-N 2 1 338.495 3.874 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463041 1040261855 /nfs/dbraw/zinc/26/18/55/1040261855.db2.gz HUYMYWWJNPKOCO-RXVVDRJESA-N 2 1 336.479 3.794 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246343055 1040310968 /nfs/dbraw/zinc/31/09/68/1040310968.db2.gz JEJHAYOAWUXCOZ-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246343055 1040310979 /nfs/dbraw/zinc/31/09/79/1040310979.db2.gz JEJHAYOAWUXCOZ-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000246343055 1040310993 /nfs/dbraw/zinc/31/09/93/1040310993.db2.gz JEJHAYOAWUXCOZ-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000246343055 1040311009 /nfs/dbraw/zinc/31/10/09/1040311009.db2.gz JEJHAYOAWUXCOZ-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512673987 1040487535 /nfs/dbraw/zinc/48/75/35/1040487535.db2.gz UMXPZAQIVLLWIU-DUXKGJEZSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512673987 1040487538 /nfs/dbraw/zinc/48/75/38/1040487538.db2.gz UMXPZAQIVLLWIU-DUXKGJEZSA-N 2 1 339.458 3.611 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000553886510 1040570931 /nfs/dbraw/zinc/57/09/31/1040570931.db2.gz NTHSELAFUQSQKR-UEXGIBASSA-N 2 1 342.527 3.538 20 0 EHADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000481330434 1040697101 /nfs/dbraw/zinc/69/71/01/1040697101.db2.gz DNWUUBYLZJFGRY-ZIAGYGMSSA-N 2 1 340.895 3.740 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000152266228 1040736857 /nfs/dbraw/zinc/73/68/57/1040736857.db2.gz YPZPNFXGLBFIKN-YLJYHZDGSA-N 2 1 344.499 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000152266228 1040736879 /nfs/dbraw/zinc/73/68/79/1040736879.db2.gz YPZPNFXGLBFIKN-YLJYHZDGSA-N 2 1 344.499 3.968 20 0 EHADMP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872733 1040799301 /nfs/dbraw/zinc/79/93/01/1040799301.db2.gz IDBCKIAUHNATPL-XNYRCJLNSA-N 2 1 334.529 3.507 20 0 EHADMP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872733 1040799322 /nfs/dbraw/zinc/79/93/22/1040799322.db2.gz IDBCKIAUHNATPL-XNYRCJLNSA-N 2 1 334.529 3.507 20 0 EHADMP C[C@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000491169296 1040951040 /nfs/dbraw/zinc/95/10/40/1040951040.db2.gz VZENLASDWNDUSI-RXVVDRJESA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC000668786283 1041011704 /nfs/dbraw/zinc/01/17/04/1041011704.db2.gz YDFRXLGITRYXDY-GOSISDBHSA-N 2 1 346.446 3.628 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC000668786283 1041011720 /nfs/dbraw/zinc/01/17/20/1041011720.db2.gz YDFRXLGITRYXDY-GOSISDBHSA-N 2 1 346.446 3.628 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nn(C)c2ccccc12 ZINC000398147864 1041093874 /nfs/dbraw/zinc/09/38/74/1041093874.db2.gz ONSBHULYXWJWEB-FXAWDEMLSA-N 2 1 348.494 3.574 20 0 EHADMP COCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCC1 ZINC000668810502 1041195268 /nfs/dbraw/zinc/19/52/68/1041195268.db2.gz AWKXRHAQBNFIAB-UHFFFAOYSA-N 2 1 330.516 3.632 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060491 1041230464 /nfs/dbraw/zinc/23/04/64/1041230464.db2.gz FTGFAIJRANQTKO-MSOLQXFVSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060491 1041230477 /nfs/dbraw/zinc/23/04/77/1041230477.db2.gz FTGFAIJRANQTKO-MSOLQXFVSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060491 1041230491 /nfs/dbraw/zinc/23/04/91/1041230491.db2.gz FTGFAIJRANQTKO-MSOLQXFVSA-N 2 1 338.536 3.695 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Br ZINC000571329238 1041269528 /nfs/dbraw/zinc/26/95/28/1041269528.db2.gz ZGELMMGXAGPSSI-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000571329238 1041269490 /nfs/dbraw/zinc/26/94/90/1041269490.db2.gz ZGELMMGXAGPSSI-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1Br ZINC000571329238 1041269510 /nfs/dbraw/zinc/26/95/10/1041269510.db2.gz ZGELMMGXAGPSSI-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Br ZINC000571329238 1041269546 /nfs/dbraw/zinc/26/95/46/1041269546.db2.gz ZGELMMGXAGPSSI-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCCC2CCCCC2)C1 ZINC000571365340 1041294127 /nfs/dbraw/zinc/29/41/27/1041294127.db2.gz RHDNJOYLZLAGIW-NRFANRHFSA-N 2 1 330.516 3.703 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000512965056 1041308400 /nfs/dbraw/zinc/30/84/00/1041308400.db2.gz YQNQOSVLGAXUCN-HKUYNNGSSA-N 2 1 346.515 3.751 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000512965056 1041308410 /nfs/dbraw/zinc/30/84/10/1041308410.db2.gz YQNQOSVLGAXUCN-HKUYNNGSSA-N 2 1 346.515 3.751 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704933 1041337845 /nfs/dbraw/zinc/33/78/45/1041337845.db2.gz UWUIYZQDLQJYBJ-AQNXPRMDSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704933 1041337850 /nfs/dbraw/zinc/33/78/50/1041337850.db2.gz UWUIYZQDLQJYBJ-AQNXPRMDSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)o1 ZINC000660624285 1041735837 /nfs/dbraw/zinc/73/58/37/1041735837.db2.gz YNIZZCJUAWOUQQ-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000651674525 1041887042 /nfs/dbraw/zinc/88/70/42/1041887042.db2.gz SVMNPNKUXYWMON-UHFFFAOYSA-N 2 1 340.515 3.699 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651726056 1041969147 /nfs/dbraw/zinc/96/91/47/1041969147.db2.gz ZGIAMNZCVWQNLD-IHWFROFDSA-N 2 1 338.499 3.594 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000652222474 1042279717 /nfs/dbraw/zinc/27/97/17/1042279717.db2.gz PFXLQAQCSIGEAX-SFHVURJKSA-N 2 1 331.529 3.994 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000652222530 1042279773 /nfs/dbraw/zinc/27/97/73/1042279773.db2.gz QSKGMSGMRFKXLV-SFHVURJKSA-N 2 1 333.476 3.798 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2C)[C@@H](C)C1 ZINC000652239699 1042285289 /nfs/dbraw/zinc/28/52/89/1042285289.db2.gz ABTJVNCNLAPTDO-MJUUVYJYSA-N 2 1 330.516 3.578 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245654468 1042501780 /nfs/dbraw/zinc/50/17/80/1042501780.db2.gz DFYXPDUPVXZLHK-DKUWSORSSA-N 2 1 335.495 3.718 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741750 1042603423 /nfs/dbraw/zinc/60/34/23/1042603423.db2.gz MVJGSWJTSVYYKY-RCBQFDQVSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741750 1042603425 /nfs/dbraw/zinc/60/34/25/1042603425.db2.gz MVJGSWJTSVYYKY-RCBQFDQVSA-N 2 1 325.294 3.973 20 0 EHADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000662273258 1042650253 /nfs/dbraw/zinc/65/02/53/1042650253.db2.gz KWUSOZCLPXNUBI-UONOGXRCSA-N 2 1 342.405 3.639 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662284908 1042658422 /nfs/dbraw/zinc/65/84/22/1042658422.db2.gz QOLVZSLBQRHAQW-VAMGGRTRSA-N 2 1 330.516 3.845 20 0 EHADMP c1cc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cs2)co1 ZINC000662295003 1042664012 /nfs/dbraw/zinc/66/40/12/1042664012.db2.gz XZQKWVWUXXAYBG-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662294717 1042664166 /nfs/dbraw/zinc/66/41/66/1042664166.db2.gz SETZUXMLAQGDNL-LJQANCHMSA-N 2 1 339.483 3.862 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(-c2ccncc2)c1 ZINC000278863457 1042667110 /nfs/dbraw/zinc/66/71/10/1042667110.db2.gz BEBGWCRGECWINA-SJORKVTESA-N 2 1 332.451 3.858 20 0 EHADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2ncccc12 ZINC000663346174 1042730822 /nfs/dbraw/zinc/73/08/22/1042730822.db2.gz PUOXQZIFNKWAKP-MRXNPFEDSA-N 2 1 327.447 3.586 20 0 EHADMP c1cncc(-c2cccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2)c1 ZINC000663346912 1042733719 /nfs/dbraw/zinc/73/37/19/1042733719.db2.gz XLKWYLAIOUOSNF-HXUWFJFHSA-N 2 1 335.495 3.960 20 0 EHADMP CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278880036 1042817713 /nfs/dbraw/zinc/81/77/13/1042817713.db2.gz NBRPJYBIMCXTBR-UHFFFAOYSA-N 2 1 339.483 3.998 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CSCCS2)cc1 ZINC000165756752 1042893289 /nfs/dbraw/zinc/89/32/89/1042893289.db2.gz KZKBHSTVKFNLNE-DYVFJYSZSA-N 2 1 333.526 3.680 20 0 EHADMP Fc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471159 1042898034 /nfs/dbraw/zinc/89/80/34/1042898034.db2.gz XBDLQWMRXCWUSR-APWZRJJASA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471159 1042898039 /nfs/dbraw/zinc/89/80/39/1042898039.db2.gz XBDLQWMRXCWUSR-APWZRJJASA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471159 1042898044 /nfs/dbraw/zinc/89/80/44/1042898044.db2.gz XBDLQWMRXCWUSR-APWZRJJASA-N 2 1 332.463 3.751 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663472105 1042902381 /nfs/dbraw/zinc/90/23/81/1042902381.db2.gz YRJNTGODKYEFOM-ZIFCJYIRSA-N 2 1 330.516 3.899 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)(F)F)c1 ZINC000278906655 1042902418 /nfs/dbraw/zinc/90/24/18/1042902418.db2.gz GHJMBRLWQWCLEU-OLZOCXBDSA-N 2 1 339.361 3.695 20 0 EHADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(F)c1F ZINC000343974313 1042987892 /nfs/dbraw/zinc/98/78/92/1042987892.db2.gz GAFDWPYNDOKCFW-CQSZACIVSA-N 2 1 349.425 3.541 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001167833613 1043006103 /nfs/dbraw/zinc/00/61/03/1043006103.db2.gz CNJJAUKJURFUGT-BVSLBCMMSA-N 2 1 343.559 3.703 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001167835872 1043038156 /nfs/dbraw/zinc/03/81/56/1043038156.db2.gz VCDFTPZRNBDIJC-MOPGFXCFSA-N 2 1 333.520 3.744 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001167835875 1043038810 /nfs/dbraw/zinc/03/88/10/1043038810.db2.gz VCDFTPZRNBDIJC-RTBURBONSA-N 2 1 333.520 3.744 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001167836213 1043042547 /nfs/dbraw/zinc/04/25/47/1043042547.db2.gz XRJWTFHSZWKMOW-RBUKOAKNSA-N 2 1 333.520 3.744 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001167839566 1043057584 /nfs/dbraw/zinc/05/75/84/1043057584.db2.gz AJIHJHFKCADVGF-IRXDYDNUSA-N 2 1 326.525 3.551 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)c2C1 ZINC000166720016 1043077875 /nfs/dbraw/zinc/07/78/75/1043077875.db2.gz IKTDFGIJGGGGAI-QRWLVFNGSA-N 2 1 337.467 3.687 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)c2C1 ZINC000166720016 1043077886 /nfs/dbraw/zinc/07/78/86/1043077886.db2.gz IKTDFGIJGGGGAI-QRWLVFNGSA-N 2 1 337.467 3.687 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(c3ccccc3)CC2)CCCO1 ZINC000432412989 1043119436 /nfs/dbraw/zinc/11/94/36/1043119436.db2.gz DVVCZYKGOMGBQJ-PELRDEGISA-N 2 1 330.516 3.803 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(c3ccccc3)CC2)CCCO1 ZINC000432412989 1043119444 /nfs/dbraw/zinc/11/94/44/1043119444.db2.gz DVVCZYKGOMGBQJ-PELRDEGISA-N 2 1 330.516 3.803 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CCCO1 ZINC000432414911 1043127103 /nfs/dbraw/zinc/12/71/03/1043127103.db2.gz AVIPNEWSAUSIPF-DMKPSLHHSA-N 2 1 336.907 3.677 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CCCO1 ZINC000432414911 1043127111 /nfs/dbraw/zinc/12/71/11/1043127111.db2.gz AVIPNEWSAUSIPF-DMKPSLHHSA-N 2 1 336.907 3.677 20 0 EHADMP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)ccc1F ZINC000432427106 1043182481 /nfs/dbraw/zinc/18/24/81/1043182481.db2.gz XINQTLIAKUDELX-OXJNMPFZSA-N 2 1 334.479 3.676 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271600 1043564558 /nfs/dbraw/zinc/56/45/58/1043564558.db2.gz ABNVRLHFFQTCLS-SBHAEUEKSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271600 1043564573 /nfs/dbraw/zinc/56/45/73/1043564573.db2.gz ABNVRLHFFQTCLS-SBHAEUEKSA-N 2 1 344.543 3.818 20 0 EHADMP CS[C@@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)(C)C ZINC000344339591 1043687032 /nfs/dbraw/zinc/68/70/32/1043687032.db2.gz YLCHJLWHHLUJIF-HNNXBMFYSA-N 2 1 341.590 3.777 20 0 EHADMP CS[C@@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)(C)C ZINC000344339591 1043687040 /nfs/dbraw/zinc/68/70/40/1043687040.db2.gz YLCHJLWHHLUJIF-HNNXBMFYSA-N 2 1 341.590 3.777 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000163231684 1043917889 /nfs/dbraw/zinc/91/78/89/1043917889.db2.gz LFIGHJADEYSEDZ-SJORKVTESA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000163231684 1043917894 /nfs/dbraw/zinc/91/78/94/1043917894.db2.gz LFIGHJADEYSEDZ-SJORKVTESA-N 2 1 333.501 3.621 20 0 EHADMP CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163318149 1043937958 /nfs/dbraw/zinc/93/79/58/1043937958.db2.gz WICGAFVJNYLSSD-CJNGLKHVSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccccc1Br ZINC000163318149 1043937977 /nfs/dbraw/zinc/93/79/77/1043937977.db2.gz WICGAFVJNYLSSD-CJNGLKHVSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163318149 1043937995 /nfs/dbraw/zinc/93/79/95/1043937995.db2.gz WICGAFVJNYLSSD-CJNGLKHVSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344680526 1044281004 /nfs/dbraw/zinc/28/10/04/1044281004.db2.gz NUARUHMJLCBULF-CXAGYDPISA-N 2 1 346.906 3.715 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344683935 1044286887 /nfs/dbraw/zinc/28/68/87/1044286887.db2.gz PCTSPULXTWSWSN-FZMZJTMJSA-N 2 1 343.334 3.743 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344683935 1044286904 /nfs/dbraw/zinc/28/69/04/1044286904.db2.gz PCTSPULXTWSWSN-FZMZJTMJSA-N 2 1 343.334 3.743 20 0 EHADMP COC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000319089079 1044446925 /nfs/dbraw/zinc/44/69/25/1044446925.db2.gz UHSMEWWSPDOCLZ-HXUWFJFHSA-N 2 1 330.516 3.838 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCCC4CCOCC4)C3)C2)cc1 ZINC000512285576 1044549600 /nfs/dbraw/zinc/54/96/00/1044549600.db2.gz IYJFTOKJWYRNMG-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCCC4CCOCC4)C3)C2)cc1 ZINC000512285576 1044549613 /nfs/dbraw/zinc/54/96/13/1044549613.db2.gz IYJFTOKJWYRNMG-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCCC4CCOCC4)C3)C2)cc1 ZINC000512285576 1044549626 /nfs/dbraw/zinc/54/96/26/1044549626.db2.gz IYJFTOKJWYRNMG-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000112517400 1044610755 /nfs/dbraw/zinc/61/07/55/1044610755.db2.gz AIHJVYGJDBLVOJ-QFIPXVFZSA-N 2 1 336.479 3.686 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC[N@H+]1C ZINC000174513314 1126854993 /nfs/dbraw/zinc/85/49/93/1126854993.db2.gz VINXVFXAYKMYFQ-JXFKEZNVSA-N 2 1 342.458 3.977 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(Oc3cccnc3)c(F)c2)CC1(C)C ZINC000623376399 1126936258 /nfs/dbraw/zinc/93/62/58/1126936258.db2.gz RXSUASZNFJLWTC-INIZCTEOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1(C)C ZINC000623376399 1126936263 /nfs/dbraw/zinc/93/62/63/1126936263.db2.gz RXSUASZNFJLWTC-INIZCTEOSA-N 2 1 343.446 3.975 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381804 1126939039 /nfs/dbraw/zinc/93/90/39/1126939039.db2.gz IONDWLQSVYFZGH-WMLDXEAASA-N 2 1 344.478 3.843 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381804 1126939042 /nfs/dbraw/zinc/93/90/42/1126939042.db2.gz IONDWLQSVYFZGH-WMLDXEAASA-N 2 1 344.478 3.843 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396400 1126943649 /nfs/dbraw/zinc/94/36/49/1126943649.db2.gz QZAVMMJZSFTUHH-SJLPKXTDSA-N 2 1 349.950 3.937 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486695 1126965584 /nfs/dbraw/zinc/96/55/84/1126965584.db2.gz DCVOMNDATLJTNU-UONOGXRCSA-N 2 1 339.886 3.520 20 0 EHADMP C[N@H+]1CC[C@H](N[C@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537879 1126979664 /nfs/dbraw/zinc/97/96/64/1126979664.db2.gz MBIZJVBFCCKMHE-JKSUJKDBSA-N 2 1 344.421 3.591 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537879 1126979667 /nfs/dbraw/zinc/97/96/67/1126979667.db2.gz MBIZJVBFCCKMHE-JKSUJKDBSA-N 2 1 344.421 3.591 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707157 1126990497 /nfs/dbraw/zinc/99/04/97/1126990497.db2.gz HELASYOJDSSJNO-QOKNQOGYSA-N 2 1 336.907 3.616 20 0 EHADMP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623893672 1127207454 /nfs/dbraw/zinc/20/74/54/1127207454.db2.gz YNTBYAKXTVCLSV-PZJWPPBQSA-N 2 1 330.516 3.631 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623986859 1127225067 /nfs/dbraw/zinc/22/50/67/1127225067.db2.gz IZQOHJZIFWDUCA-TYPHKJRUSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1csc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000623980147 1127227462 /nfs/dbraw/zinc/22/74/62/1127227462.db2.gz XDFWZVFIYQSTPK-HNNXBMFYSA-N 2 1 345.512 3.775 20 0 EHADMP CC(C)CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624110157 1127253249 /nfs/dbraw/zinc/25/32/49/1127253249.db2.gz QQHCTLJOKZYXST-XSDIEEQYSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000624121126 1127255119 /nfs/dbraw/zinc/25/51/19/1127255119.db2.gz OPEUZRCKFCLBED-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181417685 1127276191 /nfs/dbraw/zinc/27/61/91/1127276191.db2.gz CMIGBKFFBIPRHJ-HNNXBMFYSA-N 2 1 329.257 3.723 20 0 EHADMP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000181721972 1127291085 /nfs/dbraw/zinc/29/10/85/1127291085.db2.gz JTXOVHAENSYQLS-DLBZAZTESA-N 2 1 343.515 3.590 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000624221068 1127317294 /nfs/dbraw/zinc/31/72/94/1127317294.db2.gz NGFUQHXYBMPAQN-ICSRJNTNSA-N 2 1 348.918 3.950 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1nccn1C ZINC000182266573 1127320139 /nfs/dbraw/zinc/32/01/39/1127320139.db2.gz PHFVXJNKHGJUBW-KRWDZBQOSA-N 2 1 326.488 3.503 20 0 EHADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000182452347 1127330586 /nfs/dbraw/zinc/33/05/86/1127330586.db2.gz JKBORWIMKAFGGI-KXBFYZLASA-N 2 1 340.458 3.754 20 0 EHADMP CO[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360874912 1127344032 /nfs/dbraw/zinc/34/40/32/1127344032.db2.gz UXORSNKOQBXTBN-VKQJQLINSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)O1 ZINC000369214302 1127421265 /nfs/dbraw/zinc/42/12/65/1127421265.db2.gz KMYWPVOGDYJHHM-HLIPFELVSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)O1 ZINC000369214302 1127421268 /nfs/dbraw/zinc/42/12/68/1127421268.db2.gz KMYWPVOGDYJHHM-HLIPFELVSA-N 2 1 330.516 3.833 20 0 EHADMP COc1ccccc1CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687930 1127430438 /nfs/dbraw/zinc/43/04/38/1127430438.db2.gz WNHJMGDCJSQNJP-MJGOQNOKSA-N 2 1 330.516 3.870 20 0 EHADMP C[C@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737004 1127430613 /nfs/dbraw/zinc/43/06/13/1127430613.db2.gz HWGCIUSKWVFQGC-PZJWPPBQSA-N 2 1 344.543 3.878 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000385752245 1127612144 /nfs/dbraw/zinc/61/21/44/1127612144.db2.gz RWNDLESMYBJZCY-SFTDATJTSA-N 2 1 336.479 3.982 20 0 EHADMP COc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000386072648 1127625543 /nfs/dbraw/zinc/62/55/43/1127625543.db2.gz GHHVIEOJSOUIBM-FPOVZHCZSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000386072648 1127625544 /nfs/dbraw/zinc/62/55/44/1127625544.db2.gz GHHVIEOJSOUIBM-FPOVZHCZSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000386072648 1127625548 /nfs/dbraw/zinc/62/55/48/1127625548.db2.gz GHHVIEOJSOUIBM-FPOVZHCZSA-N 2 1 336.479 3.649 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccnn3C3CCC3)C2)c1 ZINC000921630115 1127899821 /nfs/dbraw/zinc/89/98/21/1127899821.db2.gz QGUFCTXYHJJSQL-MRXNPFEDSA-N 2 1 344.528 3.671 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccnn3C3CCC3)C2)c1 ZINC000921630115 1127899826 /nfs/dbraw/zinc/89/98/26/1127899826.db2.gz QGUFCTXYHJJSQL-MRXNPFEDSA-N 2 1 344.528 3.671 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)oc1C ZINC000057844256 1128058872 /nfs/dbraw/zinc/05/88/72/1128058872.db2.gz DRFUJRCLDQPJDA-UHFFFAOYSA-N 2 1 327.472 3.635 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)oc1C ZINC000057844256 1128058875 /nfs/dbraw/zinc/05/88/75/1128058875.db2.gz DRFUJRCLDQPJDA-UHFFFAOYSA-N 2 1 327.472 3.635 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844163 1128059102 /nfs/dbraw/zinc/05/91/02/1128059102.db2.gz QKQKFFMXSXRNTF-INIZCTEOSA-N 2 1 342.487 3.537 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844163 1128059106 /nfs/dbraw/zinc/05/91/06/1128059106.db2.gz QKQKFFMXSXRNTF-INIZCTEOSA-N 2 1 342.487 3.537 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000058061033 1128062822 /nfs/dbraw/zinc/06/28/22/1128062822.db2.gz WPKJGXWSZWQEMA-HNNXBMFYSA-N 2 1 342.430 3.507 20 0 EHADMP Clc1ccc2c(c1)[C@H](NC[C@H]1C[N@H+]3CCC[C@H]3CO1)CCCC2 ZINC000765793216 1128369988 /nfs/dbraw/zinc/36/99/88/1128369988.db2.gz WMKOXVLRZBLMNN-JENIJYKNSA-N 2 1 334.891 3.560 20 0 EHADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000921670422 1128450694 /nfs/dbraw/zinc/45/06/94/1128450694.db2.gz FROGJYKNCYLECG-UHFFFAOYSA-N 2 1 347.890 3.664 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000056521751 1128562548 /nfs/dbraw/zinc/56/25/48/1128562548.db2.gz WYGJTTJZBTVAAG-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP C[C@@H](CCNCc1ccnn1C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000921809665 1128783109 /nfs/dbraw/zinc/78/31/09/1128783109.db2.gz GIJPIONNBPUMKQ-KRWDZBQOSA-N 2 1 326.488 3.608 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000109068638 1120019148 /nfs/dbraw/zinc/01/91/48/1120019148.db2.gz GXJFZCONGKZYBY-INIZCTEOSA-N 2 1 340.515 3.701 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001648816970 1120048208 /nfs/dbraw/zinc/04/82/08/1120048208.db2.gz PAVYWPVDKSJOHS-OAHLLOKOSA-N 2 1 345.462 3.824 20 0 EHADMP COc1cc(Br)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000190460140 1120638880 /nfs/dbraw/zinc/63/88/80/1120638880.db2.gz SBBPKSFQEDWDNX-GXTWGEPZSA-N 2 1 341.293 3.593 20 0 EHADMP COc1cc(Br)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000190460140 1120638882 /nfs/dbraw/zinc/63/88/82/1120638882.db2.gz SBBPKSFQEDWDNX-GXTWGEPZSA-N 2 1 341.293 3.593 20 0 EHADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000542519771 1120888446 /nfs/dbraw/zinc/88/84/46/1120888446.db2.gz LKSCKKRPEDXDKX-VXKWHMMOSA-N 2 1 344.543 3.568 20 0 EHADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000494976315 1120919820 /nfs/dbraw/zinc/91/98/20/1120919820.db2.gz QDXNVLNXINKBOX-JPXCIIHESA-N 2 1 346.490 3.900 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCSC4)CC[C@H]32)cc1 ZINC000494994077 1120927355 /nfs/dbraw/zinc/92/73/55/1120927355.db2.gz JONDSFUJUXXEGL-XUVXKRRUSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCSC4)CC[C@H]32)cc1 ZINC000494994077 1120927356 /nfs/dbraw/zinc/92/73/56/1120927356.db2.gz JONDSFUJUXXEGL-XUVXKRRUSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCSC4)CC[C@H]32)cc1 ZINC000494994077 1120927360 /nfs/dbraw/zinc/92/73/60/1120927360.db2.gz JONDSFUJUXXEGL-XUVXKRRUSA-N 2 1 330.541 3.726 20 0 EHADMP C[C@H]1CC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000670157991 1121120307 /nfs/dbraw/zinc/12/03/07/1121120307.db2.gz CGIGRLOOCNYSGL-OALUTQOASA-N 2 1 344.543 3.877 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000338778911 1128963768 /nfs/dbraw/zinc/96/37/68/1128963768.db2.gz FSHMBKAJEJBNCZ-GOEBONIOSA-N 2 1 326.488 3.506 20 0 EHADMP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129468800 1128973807 /nfs/dbraw/zinc/97/38/07/1128973807.db2.gz KSLXHXGBXPZFJN-APWZRJJASA-N 2 1 340.471 3.528 20 0 EHADMP CC(C)c1cccc(NC(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129468800 1128973809 /nfs/dbraw/zinc/97/38/09/1128973809.db2.gz KSLXHXGBXPZFJN-APWZRJJASA-N 2 1 340.471 3.528 20 0 EHADMP CC1(C)CC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC(C)(C)[NH2+]1 ZINC000236740043 1121462321 /nfs/dbraw/zinc/46/23/21/1121462321.db2.gz AJXRFAAWQQOPBK-UHFFFAOYSA-N 2 1 346.906 3.925 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000762916628 1121520542 /nfs/dbraw/zinc/52/05/42/1121520542.db2.gz IBLRORRLSPGZQD-KRWDZBQOSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000762916628 1121520550 /nfs/dbraw/zinc/52/05/50/1121520550.db2.gz IBLRORRLSPGZQD-KRWDZBQOSA-N 2 1 333.863 3.778 20 0 EHADMP C[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000398017119 1121960477 /nfs/dbraw/zinc/96/04/77/1121960477.db2.gz RONUMQILCFAVEU-GXRSIYKFSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000398017119 1121960483 /nfs/dbraw/zinc/96/04/83/1121960483.db2.gz RONUMQILCFAVEU-GXRSIYKFSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398061493 1121967467 /nfs/dbraw/zinc/96/74/67/1121967467.db2.gz WQSWZLVIEZOMSW-ZQOQTTQJSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398061493 1121967474 /nfs/dbraw/zinc/96/74/74/1121967474.db2.gz WQSWZLVIEZOMSW-ZQOQTTQJSA-N 2 1 341.543 3.550 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000763397160 1122226290 /nfs/dbraw/zinc/22/62/90/1122226290.db2.gz YMICEBOCCHBKGX-HKUYNNGSSA-N 2 1 334.891 3.560 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125859041 1122349484 /nfs/dbraw/zinc/34/94/84/1122349484.db2.gz YOVHVGRZYHJLMG-HKUYNNGSSA-N 2 1 340.515 3.952 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626393 1122811914 /nfs/dbraw/zinc/81/19/14/1122811914.db2.gz MVJGSWJTSVYYKY-WQVCFCJDSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626393 1122811916 /nfs/dbraw/zinc/81/19/16/1122811916.db2.gz MVJGSWJTSVYYKY-WQVCFCJDSA-N 2 1 325.294 3.973 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556177641 1122860626 /nfs/dbraw/zinc/86/06/26/1122860626.db2.gz FPAQQTPLLPPABS-YLJYHZDGSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556177641 1122860629 /nfs/dbraw/zinc/86/06/29/1122860629.db2.gz FPAQQTPLLPPABS-YLJYHZDGSA-N 2 1 330.422 3.932 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231210 1122893119 /nfs/dbraw/zinc/89/31/19/1122893119.db2.gz DIEZGOUBCZPBRY-LEWJYISDSA-N 2 1 342.527 3.693 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)CC1 ZINC000498842627 1123085154 /nfs/dbraw/zinc/08/51/54/1123085154.db2.gz ZPKJGKCOVWBLBI-FQEVSTJZSA-N 2 1 330.516 3.899 20 0 EHADMP Cc1c(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236213103 1123088763 /nfs/dbraw/zinc/08/87/63/1123088763.db2.gz AZCGLGIXWBWZOQ-CVEARBPZSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1c(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236213103 1123088766 /nfs/dbraw/zinc/08/87/66/1123088766.db2.gz AZCGLGIXWBWZOQ-CVEARBPZSA-N 2 1 325.294 3.768 20 0 EHADMP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000919739452 1123136060 /nfs/dbraw/zinc/13/60/60/1123136060.db2.gz VEFZLWDJRMJDDV-FUHWJXTLSA-N 2 1 330.472 3.663 20 0 EHADMP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000919739452 1123136063 /nfs/dbraw/zinc/13/60/63/1123136063.db2.gz VEFZLWDJRMJDDV-FUHWJXTLSA-N 2 1 330.472 3.663 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000072737980 1123151169 /nfs/dbraw/zinc/15/11/69/1123151169.db2.gz VUQBNXJUFOKHFP-LBPRGKRZSA-N 2 1 336.277 3.688 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135166733 1123588745 /nfs/dbraw/zinc/58/87/45/1123588745.db2.gz MLTCRWFGIVCEOC-LBPRGKRZSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135166733 1123588747 /nfs/dbraw/zinc/58/87/47/1123588747.db2.gz MLTCRWFGIVCEOC-LBPRGKRZSA-N 2 1 345.712 3.922 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000245420670 1123822051 /nfs/dbraw/zinc/82/20/51/1123822051.db2.gz HPYXEPSPOKXXOW-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000245420670 1123822056 /nfs/dbraw/zinc/82/20/56/1123822056.db2.gz HPYXEPSPOKXXOW-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000245420670 1123822063 /nfs/dbraw/zinc/82/20/63/1123822063.db2.gz HPYXEPSPOKXXOW-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1cccc(Br)c1 ZINC000245512748 1123857784 /nfs/dbraw/zinc/85/77/84/1123857784.db2.gz AVARCEQBWVLJLU-GJZGRUSLSA-N 2 1 339.321 3.826 20 0 EHADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000245512748 1123857788 /nfs/dbraw/zinc/85/77/88/1123857788.db2.gz AVARCEQBWVLJLU-GJZGRUSLSA-N 2 1 339.321 3.826 20 0 EHADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000245512748 1123857793 /nfs/dbraw/zinc/85/77/93/1123857793.db2.gz AVARCEQBWVLJLU-GJZGRUSLSA-N 2 1 339.321 3.826 20 0 EHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000238016512 1123951385 /nfs/dbraw/zinc/95/13/85/1123951385.db2.gz ULQTXPNLAVPLCZ-FQEVSTJZSA-N 2 1 344.886 3.628 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C12CCC2 ZINC000453121122 1129155442 /nfs/dbraw/zinc/15/54/42/1129155442.db2.gz LBGBDACEQRLBBH-DZJNRPSUSA-N 2 1 334.529 3.678 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C12CCC2 ZINC000453121122 1129155444 /nfs/dbraw/zinc/15/54/44/1129155444.db2.gz LBGBDACEQRLBBH-DZJNRPSUSA-N 2 1 334.529 3.678 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000245838977 1123959296 /nfs/dbraw/zinc/95/92/96/1123959296.db2.gz BAWLEOAHKHQQAX-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000245838977 1123959297 /nfs/dbraw/zinc/95/92/97/1123959297.db2.gz BAWLEOAHKHQQAX-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000245952034 1123988986 /nfs/dbraw/zinc/98/89/86/1123988986.db2.gz LIBZLKDQRHBIFF-SJORKVTESA-N 2 1 325.500 3.655 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000246920369 1124565901 /nfs/dbraw/zinc/56/59/01/1124565901.db2.gz GRYSJHVKSFOPRG-KXBFYZLASA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000246920369 1124565914 /nfs/dbraw/zinc/56/59/14/1124565914.db2.gz GRYSJHVKSFOPRG-KXBFYZLASA-N 2 1 343.446 3.833 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000246936296 1124567265 /nfs/dbraw/zinc/56/72/65/1124567265.db2.gz HJKSIRVGQTUOPB-BVSLBCMMSA-N 2 1 343.559 3.576 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)[C@@H](C)C1 ZINC000247138714 1124590471 /nfs/dbraw/zinc/59/04/71/1124590471.db2.gz VZSSMELFNALHBV-QFBILLFUSA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)[C@@H](C)C1 ZINC000247138714 1124590476 /nfs/dbraw/zinc/59/04/76/1124590476.db2.gz VZSSMELFNALHBV-QFBILLFUSA-N 2 1 346.515 3.837 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247977443 1124632863 /nfs/dbraw/zinc/63/28/63/1124632863.db2.gz HYGMICORLZXQQQ-KBPBESRZSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247977443 1124632864 /nfs/dbraw/zinc/63/28/64/1124632864.db2.gz HYGMICORLZXQQQ-KBPBESRZSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247977443 1124632866 /nfs/dbraw/zinc/63/28/66/1124632866.db2.gz HYGMICORLZXQQQ-KBPBESRZSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247977443 1124632868 /nfs/dbraw/zinc/63/28/68/1124632868.db2.gz HYGMICORLZXQQQ-KBPBESRZSA-N 2 1 325.294 3.784 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2OC)[C@@H](C)C1 ZINC000248060153 1124637526 /nfs/dbraw/zinc/63/75/26/1124637526.db2.gz YDKARPJKLNMGSX-NSHGMRRFSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2OC)[C@@H](C)C1 ZINC000248060153 1124637529 /nfs/dbraw/zinc/63/75/29/1124637529.db2.gz YDKARPJKLNMGSX-NSHGMRRFSA-N 2 1 348.531 3.791 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248406065 1124658231 /nfs/dbraw/zinc/65/82/31/1124658231.db2.gz RZJWCFNEPGWLPX-DNVJHFABSA-N 2 1 349.522 3.823 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)[C@@H](C)C1 ZINC000249176838 1124743592 /nfs/dbraw/zinc/74/35/92/1124743592.db2.gz FQCNXQLNDVEIGH-KSSFIOAISA-N 2 1 333.907 3.694 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249196222 1124746338 /nfs/dbraw/zinc/74/63/38/1124746338.db2.gz QSIOYXAJSOCCFG-WSTZPKSXSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249196222 1124746348 /nfs/dbraw/zinc/74/63/48/1124746348.db2.gz QSIOYXAJSOCCFG-WSTZPKSXSA-N 2 1 340.515 3.847 20 0 EHADMP Clc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250738503 1124842742 /nfs/dbraw/zinc/84/27/42/1124842742.db2.gz DGFGOPTWXPJLQU-KBPBESRZSA-N 2 1 343.696 3.819 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091335638 1124977912 /nfs/dbraw/zinc/97/79/12/1124977912.db2.gz RYYCJMUIOAWETH-SUMWQHHRSA-N 2 1 337.305 3.832 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683352 1125288688 /nfs/dbraw/zinc/28/86/88/1125288688.db2.gz RKLYBXIOYZCVQZ-GOSISDBHSA-N 2 1 338.499 3.693 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683352 1125288695 /nfs/dbraw/zinc/28/86/95/1125288695.db2.gz RKLYBXIOYZCVQZ-GOSISDBHSA-N 2 1 338.499 3.693 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000261969012 1125393146 /nfs/dbraw/zinc/39/31/46/1125393146.db2.gz YTAXQSUCSLPJSP-KBRIMQKVSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000261969012 1125393150 /nfs/dbraw/zinc/39/31/50/1125393150.db2.gz YTAXQSUCSLPJSP-KBRIMQKVSA-N 2 1 331.847 3.554 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000157673756 1129349965 /nfs/dbraw/zinc/34/99/65/1129349965.db2.gz HSHUSBYNGZGCQO-OALUTQOASA-N 3 1 343.559 3.881 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976324 1129358882 /nfs/dbraw/zinc/35/88/82/1129358882.db2.gz NBCXBSPVWBHUDH-YADHBBJMSA-N 2 1 344.543 3.877 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429017542 1129702830 /nfs/dbraw/zinc/70/28/30/1129702830.db2.gz FSTFKLURMVKVGL-CZUORRHYSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429017542 1129702831 /nfs/dbraw/zinc/70/28/31/1129702831.db2.gz FSTFKLURMVKVGL-CZUORRHYSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429017542 1129702833 /nfs/dbraw/zinc/70/28/33/1129702833.db2.gz FSTFKLURMVKVGL-CZUORRHYSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429017542 1129702834 /nfs/dbraw/zinc/70/28/34/1129702834.db2.gz FSTFKLURMVKVGL-CZUORRHYSA-N 2 1 328.378 3.674 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436829 1129712168 /nfs/dbraw/zinc/71/21/68/1129712168.db2.gz JMBYTPBKYHMVNP-XMSQKQJNSA-N 2 1 338.470 3.967 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890890 1129791184 /nfs/dbraw/zinc/79/11/84/1129791184.db2.gz ZKSWWTRLFAYEBS-NQIIRXRSSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890890 1129791186 /nfs/dbraw/zinc/79/11/86/1129791186.db2.gz ZKSWWTRLFAYEBS-NQIIRXRSSA-N 3 1 343.559 3.607 20 0 EHADMP COC1([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657930657 1129809867 /nfs/dbraw/zinc/80/98/67/1129809867.db2.gz CQFBKJOIZJVINE-WSTZPKSXSA-N 2 1 330.516 3.834 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000429225242 1130048706 /nfs/dbraw/zinc/04/87/06/1130048706.db2.gz FCUIADZWPKRHKT-SFHVURJKSA-N 2 1 325.500 3.963 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000429225242 1130048713 /nfs/dbraw/zinc/04/87/13/1130048713.db2.gz FCUIADZWPKRHKT-SFHVURJKSA-N 2 1 325.500 3.963 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000675478491 1130400033 /nfs/dbraw/zinc/40/00/33/1130400033.db2.gz YZFOKIOXIVCQAH-YPGOJHLTSA-N 2 1 348.494 3.809 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000675478491 1130400036 /nfs/dbraw/zinc/40/00/36/1130400036.db2.gz YZFOKIOXIVCQAH-YPGOJHLTSA-N 2 1 348.494 3.809 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000675882592 1130501365 /nfs/dbraw/zinc/50/13/65/1130501365.db2.gz SJAZKLCTKBGUAF-FXAWDEMLSA-N 2 1 328.500 3.642 20 0 EHADMP CCC[NH+]1CCC(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000675902695 1130505779 /nfs/dbraw/zinc/50/57/79/1130505779.db2.gz ZFOMQYYPLAQFDQ-VQIMIIECSA-N 2 1 335.561 3.595 20 0 EHADMP c1ccc2[nH]c(-c3ccc(C[NH2+][C@H]4CC[N@@H+]5CCC[C@@H]5C4)cc3)nc2c1 ZINC000166603955 1130595821 /nfs/dbraw/zinc/59/58/21/1130595821.db2.gz ULVQJZNHTBYLBK-RBUKOAKNSA-N 2 1 346.478 3.946 20 0 EHADMP c1ccc2[nH]c(-c3ccc(C[NH2+][C@H]4CC[N@H+]5CCC[C@@H]5C4)cc3)nc2c1 ZINC000166603955 1130595826 /nfs/dbraw/zinc/59/58/26/1130595826.db2.gz ULVQJZNHTBYLBK-RBUKOAKNSA-N 2 1 346.478 3.946 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)CC[N@H+]1C ZINC000167473117 1130626528 /nfs/dbraw/zinc/62/65/28/1130626528.db2.gz BLVZDRCTSICLBC-QAPCUYQASA-N 2 1 334.467 3.802 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000347972682 1131099638 /nfs/dbraw/zinc/09/96/38/1131099638.db2.gz YMKFCQGRMGFXJY-FGTMMUONSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000347972682 1131099644 /nfs/dbraw/zinc/09/96/44/1131099644.db2.gz YMKFCQGRMGFXJY-FGTMMUONSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(C)c1OC(F)F ZINC000742733847 1131781536 /nfs/dbraw/zinc/78/15/36/1131781536.db2.gz DMBUMWHCACXKSV-OAHLLOKOSA-N 2 1 326.431 3.725 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172772887 1131843014 /nfs/dbraw/zinc/84/30/14/1131843014.db2.gz IXQXWBVZUJQMAY-AZUAARDMSA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172772887 1131843021 /nfs/dbraw/zinc/84/30/21/1131843021.db2.gz IXQXWBVZUJQMAY-AZUAARDMSA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172772887 1131843028 /nfs/dbraw/zinc/84/30/28/1131843028.db2.gz IXQXWBVZUJQMAY-AZUAARDMSA-N 2 1 346.515 3.561 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)CC1 ZINC001173116978 1131971594 /nfs/dbraw/zinc/97/15/94/1131971594.db2.gz GNWBAQGGMZCVTP-SOAGJPPSSA-N 2 1 345.531 3.886 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncsc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001173126279 1131974716 /nfs/dbraw/zinc/97/47/16/1131974716.db2.gz MUQMIZAYERJUEV-NXHRZFHOSA-N 2 1 341.524 3.643 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncsc3C2)CC[N@H+]1Cc1ccccc1 ZINC001173126279 1131974721 /nfs/dbraw/zinc/97/47/21/1131974721.db2.gz MUQMIZAYERJUEV-NXHRZFHOSA-N 2 1 341.524 3.643 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173136159 1131977195 /nfs/dbraw/zinc/97/71/95/1131977195.db2.gz DWJDCEOVAOBYLP-SFHVURJKSA-N 2 1 341.524 3.597 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173136159 1131977201 /nfs/dbraw/zinc/97/72/01/1131977201.db2.gz DWJDCEOVAOBYLP-SFHVURJKSA-N 2 1 341.524 3.597 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001173436911 1132067788 /nfs/dbraw/zinc/06/77/88/1132067788.db2.gz GDGPWPKCOIRSEV-UYAOXDASSA-N 2 1 346.515 3.610 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756183 1132418888 /nfs/dbraw/zinc/41/88/88/1132418888.db2.gz JIWUCQOHMZEKRD-NVXWUHKLSA-N 2 1 338.499 3.681 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756183 1132418894 /nfs/dbraw/zinc/41/88/94/1132418894.db2.gz JIWUCQOHMZEKRD-NVXWUHKLSA-N 2 1 338.499 3.681 20 0 EHADMP CC1(C)CC[C@@H](CO)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001174819350 1132471956 /nfs/dbraw/zinc/47/19/56/1132471956.db2.gz ZYYNBXJBHKMACP-FQEVSTJZSA-N 2 1 330.516 3.655 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC001175062972 1132539006 /nfs/dbraw/zinc/53/90/06/1132539006.db2.gz WDLXGRRBPWLBSZ-HXUWFJFHSA-N 2 1 346.902 3.957 20 0 EHADMP [NH3+]CCN(c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001168837363 1132575898 /nfs/dbraw/zinc/57/58/98/1132575898.db2.gz FLDDZTCYRLGCKJ-UHFFFAOYSA-N 2 1 344.462 3.694 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc3c[nH]nc3c2)CC1 ZINC001175353113 1132647283 /nfs/dbraw/zinc/64/72/83/1132647283.db2.gz UHHXGBWNAAGFTQ-IBGZPJMESA-N 2 1 326.488 3.649 20 0 EHADMP CC(C)=CCC/C(C)=C/CNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001169135322 1132666487 /nfs/dbraw/zinc/66/64/87/1132666487.db2.gz KIBRUEAMVZJJLI-FRKPEAEDSA-N 2 1 329.492 3.509 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115605 1132672380 /nfs/dbraw/zinc/67/23/80/1132672380.db2.gz LKRVZSLQUUNIFB-WARAAXDBSA-N 2 1 333.564 3.764 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115605 1132672383 /nfs/dbraw/zinc/67/23/83/1132672383.db2.gz LKRVZSLQUUNIFB-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115605 1132672388 /nfs/dbraw/zinc/67/23/88/1132672388.db2.gz LKRVZSLQUUNIFB-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115605 1132672391 /nfs/dbraw/zinc/67/23/91/1132672391.db2.gz LKRVZSLQUUNIFB-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115605 1132672397 /nfs/dbraw/zinc/67/23/97/1132672397.db2.gz LKRVZSLQUUNIFB-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1cc(C(F)(F)F)ccc1Cl)C2 ZINC001169115682 1132673012 /nfs/dbraw/zinc/67/30/12/1132673012.db2.gz MHTCFTBMRNYCQN-CNDDSTCGSA-N 2 1 345.796 3.899 20 0 EHADMP CC1(C)C[C@@H](Nc2[nH+]cccc2C2CCOCC2)C[C@@](C)(C[NH3+])C1 ZINC001169149120 1132677590 /nfs/dbraw/zinc/67/75/90/1132677590.db2.gz YBVQXXBDWKAUES-OXQOHEQNSA-N 2 1 331.504 3.931 20 0 EHADMP CCN1CCC([NH2+]CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC001169239303 1132706833 /nfs/dbraw/zinc/70/68/33/1132706833.db2.gz YFLDZROZNKFGPF-UHFFFAOYSA-N 2 1 349.950 3.626 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](c2cncc(C(F)(F)F)c2)C2CC2)CC1 ZINC001169241628 1132707806 /nfs/dbraw/zinc/70/78/06/1132707806.db2.gz XFCOTMVKCRNOON-INIZCTEOSA-N 2 1 327.394 3.625 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001169254483 1132710005 /nfs/dbraw/zinc/71/00/05/1132710005.db2.gz YGUIZGMDNWUZRK-TZIWHRDSSA-N 2 1 328.500 3.509 20 0 EHADMP CC[NH+]1CCC([N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001169254483 1132710010 /nfs/dbraw/zinc/71/00/10/1132710010.db2.gz YGUIZGMDNWUZRK-TZIWHRDSSA-N 2 1 328.500 3.509 20 0 EHADMP [NH3+]CCc1cn(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)c2cccnc12 ZINC001169708616 1132830515 /nfs/dbraw/zinc/83/05/15/1132830515.db2.gz ABQNZHJXXSDDMA-UHFFFAOYSA-N 2 1 327.391 3.556 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610524 1132971759 /nfs/dbraw/zinc/97/17/59/1132971759.db2.gz OWAMHRBZCPGYQD-OAQYLSRUSA-N 2 1 337.467 3.912 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001176610524 1132971762 /nfs/dbraw/zinc/97/17/62/1132971762.db2.gz OWAMHRBZCPGYQD-OAQYLSRUSA-N 2 1 337.467 3.912 20 0 EHADMP CC[N@H+](Cc1ccc(C(=O)OCCCn2cc[nH+]c2C)cc1)C(C)C ZINC000767622565 1133029298 /nfs/dbraw/zinc/02/92/98/1133029298.db2.gz RZHYBVWOGYERRP-UHFFFAOYSA-N 2 1 343.471 3.669 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)OCCCn2cc[nH+]c2C)cc1)C(C)C ZINC000767622565 1133029304 /nfs/dbraw/zinc/02/93/04/1133029304.db2.gz RZHYBVWOGYERRP-UHFFFAOYSA-N 2 1 343.471 3.669 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3c[nH+]ccc3N(C)C)cc2)C1 ZINC001177341203 1133056782 /nfs/dbraw/zinc/05/67/82/1133056782.db2.gz BLKMXADMMSNYRD-QGZVFWFLSA-N 2 1 338.499 3.992 20 0 EHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483596 1133068200 /nfs/dbraw/zinc/06/82/00/1133068200.db2.gz ZFOSYHZIDGNLEC-DYXWJJEUSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483596 1133068202 /nfs/dbraw/zinc/06/82/02/1133068202.db2.gz ZFOSYHZIDGNLEC-DYXWJJEUSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177483596 1133068208 /nfs/dbraw/zinc/06/82/08/1133068208.db2.gz ZFOSYHZIDGNLEC-DYXWJJEUSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177483596 1133068215 /nfs/dbraw/zinc/06/82/15/1133068215.db2.gz ZFOSYHZIDGNLEC-DYXWJJEUSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@H](CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001178463612 1133170543 /nfs/dbraw/zinc/17/05/43/1133170543.db2.gz RZHVDXORYYPICJ-DYXWJJEUSA-N 2 1 329.532 3.676 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769502846 1133303515 /nfs/dbraw/zinc/30/35/15/1133303515.db2.gz BKIVPJMKLNODCU-MRXNPFEDSA-N 2 1 346.544 3.780 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769502846 1133303519 /nfs/dbraw/zinc/30/35/19/1133303519.db2.gz BKIVPJMKLNODCU-MRXNPFEDSA-N 2 1 346.544 3.780 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000769682540 1133324043 /nfs/dbraw/zinc/32/40/43/1133324043.db2.gz SZJTXOWUOBUMRP-CVEARBPZSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000769694842 1133331028 /nfs/dbraw/zinc/33/10/28/1133331028.db2.gz KWWCZBUCLQHIBO-CVEARBPZSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000769694842 1133331033 /nfs/dbraw/zinc/33/10/33/1133331033.db2.gz KWWCZBUCLQHIBO-CVEARBPZSA-N 2 1 341.540 3.532 20 0 EHADMP CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001180310304 1133354853 /nfs/dbraw/zinc/35/48/53/1133354853.db2.gz CPQJNVUWCVCWJN-WIYYLYMNSA-N 2 1 332.532 3.948 20 0 EHADMP COc1cccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc21 ZINC000770374988 1133414962 /nfs/dbraw/zinc/41/49/62/1133414962.db2.gz PMWZHVRMJCNLHA-QFBILLFUSA-N 2 1 340.467 3.890 20 0 EHADMP COc1cccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc21 ZINC000770374988 1133414968 /nfs/dbraw/zinc/41/49/68/1133414968.db2.gz PMWZHVRMJCNLHA-QFBILLFUSA-N 2 1 340.467 3.890 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)oc21 ZINC000770374988 1133414972 /nfs/dbraw/zinc/41/49/72/1133414972.db2.gz PMWZHVRMJCNLHA-QFBILLFUSA-N 2 1 340.467 3.890 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)oc21 ZINC000770374988 1133414975 /nfs/dbraw/zinc/41/49/75/1133414975.db2.gz PMWZHVRMJCNLHA-QFBILLFUSA-N 2 1 340.467 3.890 20 0 EHADMP Cc1cnc([C@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000770617993 1133454221 /nfs/dbraw/zinc/45/42/21/1133454221.db2.gz JEXFCTQYXWWZQW-INIZCTEOSA-N 2 1 342.487 3.934 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)O ZINC001181754338 1133522021 /nfs/dbraw/zinc/52/20/21/1133522021.db2.gz ZPXPRKYCSOIYRE-LMNJBCLMSA-N 2 1 332.532 3.674 20 0 EHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CCCC(C)C)C2 ZINC001170079937 1134056954 /nfs/dbraw/zinc/05/69/54/1134056954.db2.gz GVVXLDGHGHELSQ-HMXCVIKNSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CCCC(C)C)C2 ZINC001170079937 1134056959 /nfs/dbraw/zinc/05/69/59/1134056959.db2.gz GVVXLDGHGHELSQ-HMXCVIKNSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CCCC(C)C)C2 ZINC001170079937 1134056966 /nfs/dbraw/zinc/05/69/66/1134056966.db2.gz GVVXLDGHGHELSQ-HMXCVIKNSA-N 2 1 336.564 3.882 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000774904780 1134114381 /nfs/dbraw/zinc/11/43/81/1134114381.db2.gz WQEMSTBLEVFBDW-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000774904780 1134114385 /nfs/dbraw/zinc/11/43/85/1134114385.db2.gz WQEMSTBLEVFBDW-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000774904780 1134114388 /nfs/dbraw/zinc/11/43/88/1134114388.db2.gz WQEMSTBLEVFBDW-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000788483832 1134138209 /nfs/dbraw/zinc/13/82/09/1134138209.db2.gz XEKZLLRICVOOPY-ROUUACIJSA-N 2 1 336.545 3.758 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774988295 1134177971 /nfs/dbraw/zinc/17/79/71/1134177971.db2.gz ZFULOGGBGOKZPC-CQSZACIVSA-N 2 1 325.294 3.579 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2Br)CCC[C@@H]1C[NH3+] ZINC001206037461 1134338362 /nfs/dbraw/zinc/33/83/62/1134338362.db2.gz VQPUBVFTMRTOJQ-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001170134502 1134409444 /nfs/dbraw/zinc/40/94/44/1134409444.db2.gz BKDUFTUNRPJFJU-PKOBYXMFSA-N 2 1 327.516 3.947 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000509454797 1134468451 /nfs/dbraw/zinc/46/84/51/1134468451.db2.gz PFVQOXMVUNDGBF-HXUWFJFHSA-N 2 1 348.494 3.953 20 0 EHADMP CN(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC001170206017 1134705399 /nfs/dbraw/zinc/70/53/99/1134705399.db2.gz QKOLIVZGTNIWSR-HSZRJFAPSA-N 2 1 349.522 3.721 20 0 EHADMP CN(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC001170206017 1134705404 /nfs/dbraw/zinc/70/54/04/1134705404.db2.gz QKOLIVZGTNIWSR-HSZRJFAPSA-N 2 1 349.522 3.721 20 0 EHADMP CN(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC001170206017 1134705409 /nfs/dbraw/zinc/70/54/09/1134705409.db2.gz QKOLIVZGTNIWSR-HSZRJFAPSA-N 2 1 349.522 3.721 20 0 EHADMP CC[C@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238983 1134719196 /nfs/dbraw/zinc/71/91/96/1134719196.db2.gz LPPHBSVZHQMFLX-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238983 1134719201 /nfs/dbraw/zinc/71/92/01/1134719201.db2.gz LPPHBSVZHQMFLX-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001170261336 1134726586 /nfs/dbraw/zinc/72/65/86/1134726586.db2.gz QPRKIFFVORJFJS-INIZCTEOSA-N 2 1 343.902 3.702 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521982 1134879119 /nfs/dbraw/zinc/87/91/19/1134879119.db2.gz YIAZEIPBXRNXIL-YADHBBJMSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521982 1134879125 /nfs/dbraw/zinc/87/91/25/1134879125.db2.gz YIAZEIPBXRNXIL-YADHBBJMSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521982 1134879130 /nfs/dbraw/zinc/87/91/30/1134879130.db2.gz YIAZEIPBXRNXIL-YADHBBJMSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521982 1134879136 /nfs/dbraw/zinc/87/91/36/1134879136.db2.gz YIAZEIPBXRNXIL-YADHBBJMSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521982 1134879138 /nfs/dbraw/zinc/87/91/38/1134879138.db2.gz YIAZEIPBXRNXIL-YADHBBJMSA-N 2 1 341.543 3.589 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC001191871557 1134937382 /nfs/dbraw/zinc/93/73/82/1134937382.db2.gz SACHVEIXCZNXGO-SFHVURJKSA-N 2 1 338.923 3.790 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC001191871557 1134937393 /nfs/dbraw/zinc/93/73/93/1134937393.db2.gz SACHVEIXCZNXGO-SFHVURJKSA-N 2 1 338.923 3.790 20 0 EHADMP COc1cccc(SCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC001192918281 1135073247 /nfs/dbraw/zinc/07/32/47/1135073247.db2.gz KMGBZGMERDEGJX-UHFFFAOYSA-N 2 1 344.524 3.981 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Br)c1 ZINC001205618279 1135087008 /nfs/dbraw/zinc/08/70/08/1135087008.db2.gz UDZANTKNGRBDDR-KGLIPLIRSA-N 2 1 325.294 3.564 20 0 EHADMP COc1c(C)c[nH+]c(CN(CC[NH+]2CCCCCC2)C2CCC2)c1C ZINC001194808182 1135324181 /nfs/dbraw/zinc/32/41/81/1135324181.db2.gz XYTQUCLEEKTPFN-UHFFFAOYSA-N 2 1 345.531 3.938 20 0 EHADMP Cc1c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)sc2nc(C)nc(C)c12 ZINC000809767869 1135880899 /nfs/dbraw/zinc/88/08/99/1135880899.db2.gz WITBURGPHSBXNJ-HZPDHXFCSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)sc2nc(C)nc(C)c12 ZINC000809767869 1135880901 /nfs/dbraw/zinc/88/09/01/1135880901.db2.gz WITBURGPHSBXNJ-HZPDHXFCSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)sc2nc(C)nc(C)c12 ZINC000809767869 1135880903 /nfs/dbraw/zinc/88/09/03/1135880903.db2.gz WITBURGPHSBXNJ-HZPDHXFCSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001199144603 1135882653 /nfs/dbraw/zinc/88/26/53/1135882653.db2.gz TYVQPLYKZYKMTD-UHFFFAOYSA-N 2 1 339.321 3.968 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCc2ccc3c(c2)CCO3)cc1 ZINC000809738843 1135883560 /nfs/dbraw/zinc/88/35/60/1135883560.db2.gz MHYHMXFFKFMLKL-UHFFFAOYSA-N 2 1 338.495 3.748 20 0 EHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001199336415 1135896028 /nfs/dbraw/zinc/89/60/28/1135896028.db2.gz OCUCFNWCNLNMLV-INIZCTEOSA-N 2 1 334.552 3.857 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001199321361 1135897529 /nfs/dbraw/zinc/89/75/29/1135897529.db2.gz WJTQVJUHNUIBJS-HDICACEKSA-N 2 1 329.532 3.808 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@@H](C)C3)cc2)C1 ZINC001199320672 1135897685 /nfs/dbraw/zinc/89/76/85/1135897685.db2.gz PJZMHWLIVAVMAE-NYUBLWNDSA-N 2 1 330.516 3.822 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1 ZINC001199328631 1135898124 /nfs/dbraw/zinc/89/81/24/1135898124.db2.gz CCJIUHBAPUNLHR-KNQAVFIVSA-N 2 1 343.559 3.883 20 0 EHADMP C[C@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001199851427 1135932514 /nfs/dbraw/zinc/93/25/14/1135932514.db2.gz PCYGRJYJZPNWRX-HXUWFJFHSA-N 2 1 345.575 3.855 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606333 1135965257 /nfs/dbraw/zinc/96/52/57/1135965257.db2.gz ZPPQHXWDXTZDOF-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606333 1135965259 /nfs/dbraw/zinc/96/52/59/1135965259.db2.gz ZPPQHXWDXTZDOF-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606333 1135965262 /nfs/dbraw/zinc/96/52/62/1135965262.db2.gz ZPPQHXWDXTZDOF-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606333 1135965264 /nfs/dbraw/zinc/96/52/64/1135965264.db2.gz ZPPQHXWDXTZDOF-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912421 1135991178 /nfs/dbraw/zinc/99/11/78/1135991178.db2.gz AHMQBQXCAGISRA-KBPBESRZSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912421 1135991180 /nfs/dbraw/zinc/99/11/80/1135991180.db2.gz AHMQBQXCAGISRA-KBPBESRZSA-N 2 1 325.294 3.625 20 0 EHADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCCCC2)CC3)c1 ZINC001201394501 1136011435 /nfs/dbraw/zinc/01/14/35/1136011435.db2.gz VUMNWARRMOWWBV-UHFFFAOYSA-N 2 1 327.516 3.950 20 0 EHADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CC=CCC2)CC3)c1 ZINC001201417101 1136018222 /nfs/dbraw/zinc/01/82/22/1136018222.db2.gz QRCLBYKEKGMHCS-IBGZPJMESA-N 2 1 325.500 3.726 20 0 EHADMP CCCC[C@@H](CC)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201560511 1136040733 /nfs/dbraw/zinc/04/07/33/1136040733.db2.gz SVMBXYJWBTWBAN-GOSISDBHSA-N 2 1 332.536 3.553 20 0 EHADMP C[NH+](C)CC1(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCC1 ZINC001201929584 1136072766 /nfs/dbraw/zinc/07/27/66/1136072766.db2.gz OIISVZNITXSCDT-UHFFFAOYSA-N 2 1 346.515 3.854 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202394829 1136141326 /nfs/dbraw/zinc/14/13/26/1136141326.db2.gz JZWHRBZVKCQHHZ-CALCHBBNSA-N 2 1 326.406 3.701 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202394829 1136141329 /nfs/dbraw/zinc/14/13/29/1136141329.db2.gz JZWHRBZVKCQHHZ-CALCHBBNSA-N 2 1 326.406 3.701 20 0 EHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202394829 1136141330 /nfs/dbraw/zinc/14/13/30/1136141330.db2.gz JZWHRBZVKCQHHZ-CALCHBBNSA-N 2 1 326.406 3.701 20 0 EHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202394829 1136141333 /nfs/dbraw/zinc/14/13/33/1136141333.db2.gz JZWHRBZVKCQHHZ-CALCHBBNSA-N 2 1 326.406 3.701 20 0 EHADMP FC(F)(F)CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001202441384 1136144415 /nfs/dbraw/zinc/14/44/15/1136144415.db2.gz CMRCZAAKLUQAAA-IAGOWNOFSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202441384 1136144417 /nfs/dbraw/zinc/14/44/17/1136144417.db2.gz CMRCZAAKLUQAAA-IAGOWNOFSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202441384 1136144419 /nfs/dbraw/zinc/14/44/19/1136144419.db2.gz CMRCZAAKLUQAAA-IAGOWNOFSA-N 2 1 326.406 3.783 20 0 EHADMP C[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789620 1136362570 /nfs/dbraw/zinc/36/25/70/1136362570.db2.gz VRIWBAHJHAZZTH-CBANROCLSA-N 2 1 342.527 3.977 20 0 EHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170732323 1136417515 /nfs/dbraw/zinc/41/75/15/1136417515.db2.gz YHXXHIUPPHEDAU-ZKTXZKFHSA-N 2 1 342.527 3.726 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@@H]1C ZINC000338948503 1136467704 /nfs/dbraw/zinc/46/77/04/1136467704.db2.gz NLLYDOKKMMKEKI-PXNSSMCTSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@@H]1C ZINC000338948503 1136467708 /nfs/dbraw/zinc/46/77/08/1136467708.db2.gz NLLYDOKKMMKEKI-PXNSSMCTSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@@H]1C ZINC000338948503 1136467711 /nfs/dbraw/zinc/46/77/11/1136467711.db2.gz NLLYDOKKMMKEKI-PXNSSMCTSA-N 2 1 340.515 3.700 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000853239242 1136520754 /nfs/dbraw/zinc/52/07/54/1136520754.db2.gz CUGRLCKOHZRLSN-FUHWJXTLSA-N 2 1 328.500 3.784 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055027 1136540663 /nfs/dbraw/zinc/54/06/63/1136540663.db2.gz UOXNHSNESTWNFT-NQIIRXRSSA-N 2 1 326.484 3.679 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055027 1136540666 /nfs/dbraw/zinc/54/06/66/1136540666.db2.gz UOXNHSNESTWNFT-NQIIRXRSSA-N 2 1 326.484 3.679 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055027 1136540669 /nfs/dbraw/zinc/54/06/69/1136540669.db2.gz UOXNHSNESTWNFT-NQIIRXRSSA-N 2 1 326.484 3.679 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055027 1136540672 /nfs/dbraw/zinc/54/06/72/1136540672.db2.gz UOXNHSNESTWNFT-NQIIRXRSSA-N 2 1 326.484 3.679 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCC(C)CC3)C2)ccn1 ZINC000856552281 1136793651 /nfs/dbraw/zinc/79/36/51/1136793651.db2.gz KWRCDBVGWPPVPP-NGICGMGXSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CCC(C)CC3)C2)ccn1 ZINC000856552281 1136793655 /nfs/dbraw/zinc/79/36/55/1136793655.db2.gz KWRCDBVGWPPVPP-NGICGMGXSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCC(C)CC3)C2)ccn1 ZINC000856552281 1136793661 /nfs/dbraw/zinc/79/36/61/1136793661.db2.gz KWRCDBVGWPPVPP-NGICGMGXSA-N 2 1 345.531 3.813 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3sccc3C)C2)ccn1 ZINC000856556232 1136794671 /nfs/dbraw/zinc/79/46/71/1136794671.db2.gz VBHLQCKDNKZPBU-GOSISDBHSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3sccc3C)C2)ccn1 ZINC000856556232 1136794675 /nfs/dbraw/zinc/79/46/75/1136794675.db2.gz VBHLQCKDNKZPBU-GOSISDBHSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3sccc3C)C2)ccn1 ZINC000856556232 1136794679 /nfs/dbraw/zinc/79/46/79/1136794679.db2.gz VBHLQCKDNKZPBU-GOSISDBHSA-N 2 1 345.512 3.557 20 0 EHADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817892340 1136843262 /nfs/dbraw/zinc/84/32/62/1136843262.db2.gz SVHKRRLAORRVQK-FVQBIDKESA-N 2 1 341.268 3.599 20 0 EHADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000817959132 1136852241 /nfs/dbraw/zinc/85/22/41/1136852241.db2.gz PNFCJCWQSJAKLE-KBWCOIMZSA-N 2 1 332.532 3.903 20 0 EHADMP COC(OC)c1ccc(F)c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000818188271 1136864183 /nfs/dbraw/zinc/86/41/83/1136864183.db2.gz KOQLZPKVFCWWTO-KRWDZBQOSA-N 2 1 340.483 3.573 20 0 EHADMP COC(OC)c1ccc(F)c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000818188272 1136864409 /nfs/dbraw/zinc/86/44/09/1136864409.db2.gz KOQLZPKVFCWWTO-QGZVFWFLSA-N 2 1 340.483 3.573 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000818959945 1136891203 /nfs/dbraw/zinc/89/12/03/1136891203.db2.gz BCULEAXXVODOJN-JTDSTZFVSA-N 2 1 338.923 3.721 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3cn[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000857858499 1136914497 /nfs/dbraw/zinc/91/44/97/1136914497.db2.gz NRONLRXBEVRMPT-POAQFYNOSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858499 1136914500 /nfs/dbraw/zinc/91/45/00/1136914500.db2.gz NRONLRXBEVRMPT-POAQFYNOSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858499 1136914502 /nfs/dbraw/zinc/91/45/02/1136914502.db2.gz NRONLRXBEVRMPT-POAQFYNOSA-N 2 1 338.499 3.677 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001136279883 1136966269 /nfs/dbraw/zinc/96/62/69/1136966269.db2.gz VPGUJCGJJGMGQW-HXUWFJFHSA-N 2 1 343.515 3.730 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490199 1136972508 /nfs/dbraw/zinc/97/25/08/1136972508.db2.gz CVKXEJSTEWWDNW-NEPJUHHUSA-N 2 1 330.303 3.958 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170955665 1137012292 /nfs/dbraw/zinc/01/22/92/1137012292.db2.gz NWMPDQYZZUPLSZ-GOSISDBHSA-N 2 1 339.458 3.645 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)o1 ZINC000823931908 1137120153 /nfs/dbraw/zinc/12/01/53/1137120153.db2.gz SOAANWZKHCWVGD-KRWDZBQOSA-N 2 1 336.520 3.890 20 0 EHADMP Cc1c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862299622 1137137682 /nfs/dbraw/zinc/13/76/82/1137137682.db2.gz DRQAKKGBXPKPGQ-VQIMIIECSA-N 2 1 327.447 3.529 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171092073 1137181133 /nfs/dbraw/zinc/18/11/33/1137181133.db2.gz ULFCWNHNHRSPJQ-IJEWVQPXSA-N 2 1 339.310 3.734 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171092073 1137181134 /nfs/dbraw/zinc/18/11/34/1137181134.db2.gz ULFCWNHNHRSPJQ-IJEWVQPXSA-N 2 1 339.310 3.734 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171092076 1137181186 /nfs/dbraw/zinc/18/11/86/1137181186.db2.gz ULFCWNHNHRSPJQ-LZWOXQAQSA-N 2 1 339.310 3.734 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171092076 1137181187 /nfs/dbraw/zinc/18/11/87/1137181187.db2.gz ULFCWNHNHRSPJQ-LZWOXQAQSA-N 2 1 339.310 3.734 20 0 EHADMP NC[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171110639 1137202889 /nfs/dbraw/zinc/20/28/89/1137202889.db2.gz DVWVPAGKTWVING-VQTJNVASSA-N 2 1 326.871 3.583 20 0 EHADMP NC[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171110639 1137202891 /nfs/dbraw/zinc/20/28/91/1137202891.db2.gz DVWVPAGKTWVING-VQTJNVASSA-N 2 1 326.871 3.583 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001143961245 1137219370 /nfs/dbraw/zinc/21/93/70/1137219370.db2.gz JRJVOZKJXLSPDM-UHFFFAOYSA-N 2 1 328.834 3.926 20 0 EHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171173156 1137284340 /nfs/dbraw/zinc/28/43/40/1137284340.db2.gz WNZIMVROUZMBAF-XHSDSOJGSA-N 2 1 339.310 3.734 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171173156 1137284342 /nfs/dbraw/zinc/28/43/42/1137284342.db2.gz WNZIMVROUZMBAF-XHSDSOJGSA-N 2 1 339.310 3.734 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171173156 1137284343 /nfs/dbraw/zinc/28/43/43/1137284343.db2.gz WNZIMVROUZMBAF-XHSDSOJGSA-N 2 1 339.310 3.734 20 0 EHADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865697671 1137304991 /nfs/dbraw/zinc/30/49/91/1137304991.db2.gz BEAURVIMHJYFKK-GUDVDZBRSA-N 2 1 325.500 3.716 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866250316 1137339344 /nfs/dbraw/zinc/33/93/44/1137339344.db2.gz YINOVCUIFGAJHX-UGKGYDQZSA-N 2 1 337.511 3.905 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000846220530 1137342224 /nfs/dbraw/zinc/34/22/24/1137342224.db2.gz JRWDHNXPWYTANB-INIZCTEOSA-N 2 1 330.394 3.598 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)c2cc1C(C)C ZINC000846708609 1137363216 /nfs/dbraw/zinc/36/32/16/1137363216.db2.gz SBCFKWMJCXFJNL-GDBMZVCRSA-N 2 1 328.456 3.536 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)c2cc1C(C)C ZINC000846708609 1137363218 /nfs/dbraw/zinc/36/32/18/1137363218.db2.gz SBCFKWMJCXFJNL-GDBMZVCRSA-N 2 1 328.456 3.536 20 0 EHADMP CCc1ccc2c(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)cc(=O)oc2c1 ZINC000866708972 1137374981 /nfs/dbraw/zinc/37/49/81/1137374981.db2.gz UDEAJZBITBPHLN-NRFANRHFSA-N 2 1 342.483 3.552 20 0 EHADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2c(CC[NH3+])cc3ccccc32)nc1 ZINC001171301977 1137403378 /nfs/dbraw/zinc/40/33/78/1137403378.db2.gz GMZPVBWZPWOYDE-LJQANCHMSA-N 2 1 334.467 3.684 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000348190239 1137452262 /nfs/dbraw/zinc/45/22/62/1137452262.db2.gz ULFOMRILOJPQCX-HXUWFJFHSA-N 2 1 341.499 3.935 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000348190239 1137452263 /nfs/dbraw/zinc/45/22/63/1137452263.db2.gz ULFOMRILOJPQCX-HXUWFJFHSA-N 2 1 341.499 3.935 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716679513 1137488157 /nfs/dbraw/zinc/48/81/57/1137488157.db2.gz DTNMNRZWVZEZQK-NNWRFLSQSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716679513 1137488158 /nfs/dbraw/zinc/48/81/58/1137488158.db2.gz DTNMNRZWVZEZQK-NNWRFLSQSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716679513 1137488159 /nfs/dbraw/zinc/48/81/59/1137488159.db2.gz DTNMNRZWVZEZQK-NNWRFLSQSA-N 3 1 341.543 3.504 20 0 EHADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716680297 1137488296 /nfs/dbraw/zinc/48/82/96/1137488296.db2.gz HVKYGBVLHMHLCD-NNWRFLSQSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716680297 1137488297 /nfs/dbraw/zinc/48/82/97/1137488297.db2.gz HVKYGBVLHMHLCD-NNWRFLSQSA-N 3 1 341.543 3.502 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716680297 1137488299 /nfs/dbraw/zinc/48/82/99/1137488299.db2.gz HVKYGBVLHMHLCD-NNWRFLSQSA-N 3 1 341.543 3.502 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000716678617 1137488419 /nfs/dbraw/zinc/48/84/19/1137488419.db2.gz LMSUOPKDFLAHEG-NNWRFLSQSA-N 2 1 335.495 3.841 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171471035 1137492655 /nfs/dbraw/zinc/49/26/55/1137492655.db2.gz GWNGGXPINQANKX-KBAYOESNSA-N 2 1 334.454 3.947 20 0 EHADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171531030 1137493700 /nfs/dbraw/zinc/49/37/00/1137493700.db2.gz WTPDJLYJFUHYAM-ZFWWWQNUSA-N 2 1 340.433 3.802 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@H](O)c2cc3ccccc3o2)CC1(C)C ZINC001171630035 1137499838 /nfs/dbraw/zinc/49/98/38/1137499838.db2.gz FTYOBJGGNZHLTL-INIZCTEOSA-N 2 1 330.472 3.707 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1(C)C ZINC001171636991 1137504218 /nfs/dbraw/zinc/50/42/18/1137504218.db2.gz LORLTMHQBKKEJA-SFHVURJKSA-N 3 1 335.580 3.978 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CCCC[C@H]2CC[NH+]2CCCC2)CC1(C)C ZINC001171636991 1137504219 /nfs/dbraw/zinc/50/42/19/1137504219.db2.gz LORLTMHQBKKEJA-SFHVURJKSA-N 2 1 335.580 3.978 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1(C)C ZINC001171641896 1137504603 /nfs/dbraw/zinc/50/46/03/1137504603.db2.gz VCGJTEIUBIQLAH-QGZVFWFLSA-N 2 1 328.500 3.843 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1(C)C ZINC001171641896 1137504604 /nfs/dbraw/zinc/50/46/04/1137504604.db2.gz VCGJTEIUBIQLAH-QGZVFWFLSA-N 2 1 328.500 3.843 20 0 EHADMP C[C@@H]1C[C@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725293 1137506356 /nfs/dbraw/zinc/50/63/56/1137506356.db2.gz ISNXUBYZMMAOGU-ACJLOTCBSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725293 1137506358 /nfs/dbraw/zinc/50/63/58/1137506358.db2.gz ISNXUBYZMMAOGU-ACJLOTCBSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]1C[C@@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727268 1137506657 /nfs/dbraw/zinc/50/66/57/1137506657.db2.gz BELKSRDOBQROKU-FUHWJXTLSA-N 2 1 347.462 3.618 20 0 EHADMP C[C@H]1C[C@@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171727268 1137506659 /nfs/dbraw/zinc/50/66/59/1137506659.db2.gz BELKSRDOBQROKU-FUHWJXTLSA-N 2 1 347.462 3.618 20 0 EHADMP COc1ccc2c(C[NH3+])cn([C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001171732965 1137507215 /nfs/dbraw/zinc/50/72/15/1137507215.db2.gz NHTOQBNNRMPBKJ-APWZRJJASA-N 2 1 349.478 3.944 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171754285 1137508374 /nfs/dbraw/zinc/50/83/74/1137508374.db2.gz BLZQKOBGHGBESQ-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001171754285 1137508376 /nfs/dbraw/zinc/50/83/76/1137508376.db2.gz BLZQKOBGHGBESQ-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)[C@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754285 1137508378 /nfs/dbraw/zinc/50/83/78/1137508378.db2.gz BLZQKOBGHGBESQ-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754285 1137508380 /nfs/dbraw/zinc/50/83/80/1137508380.db2.gz BLZQKOBGHGBESQ-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001171893985 1137517186 /nfs/dbraw/zinc/51/71/86/1137517186.db2.gz ZBASDFYNPXPOSI-UHFFFAOYSA-N 2 1 346.544 3.900 20 0 EHADMP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC001171963544 1137519844 /nfs/dbraw/zinc/51/98/44/1137519844.db2.gz IBICUXZNQURGOC-KRWDZBQOSA-N 2 1 329.513 3.984 20 0 EHADMP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC001171963544 1137519845 /nfs/dbraw/zinc/51/98/45/1137519845.db2.gz IBICUXZNQURGOC-KRWDZBQOSA-N 2 1 329.513 3.984 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2cnc3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC001171962478 1137520014 /nfs/dbraw/zinc/52/00/14/1137520014.db2.gz DRDOQLDUYSHOSV-LJQANCHMSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2cnc3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC001171962478 1137520015 /nfs/dbraw/zinc/52/00/15/1137520015.db2.gz DRDOQLDUYSHOSV-LJQANCHMSA-N 2 1 348.494 3.867 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001171967644 1137520616 /nfs/dbraw/zinc/52/06/16/1137520616.db2.gz PADYUHRDIDYGMS-BMFZPTHFSA-N 2 1 326.406 3.520 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001171967644 1137520617 /nfs/dbraw/zinc/52/06/17/1137520617.db2.gz PADYUHRDIDYGMS-BMFZPTHFSA-N 2 1 326.406 3.520 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001171967644 1137520618 /nfs/dbraw/zinc/52/06/18/1137520618.db2.gz PADYUHRDIDYGMS-BMFZPTHFSA-N 2 1 326.406 3.520 20 0 EHADMP CC1(C)C[C@H](N2C[C@H]([NH3+])Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171966666 1137520764 /nfs/dbraw/zinc/52/07/64/1137520764.db2.gz WAVAXSPOOZYDML-NHCUHLMSSA-N 2 1 349.522 3.820 20 0 EHADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991493 1137522899 /nfs/dbraw/zinc/52/28/99/1137522899.db2.gz YOVDTSZAQCZWCY-HXUWFJFHSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991493 1137522901 /nfs/dbraw/zinc/52/29/01/1137522901.db2.gz YOVDTSZAQCZWCY-HXUWFJFHSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991493 1137522903 /nfs/dbraw/zinc/52/29/03/1137522903.db2.gz YOVDTSZAQCZWCY-HXUWFJFHSA-N 2 1 343.559 3.846 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171971853 1137523582 /nfs/dbraw/zinc/52/35/82/1137523582.db2.gz KSRDIHJXYIWJOB-MOPGFXCFSA-N 2 1 330.516 3.977 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972550 1137524147 /nfs/dbraw/zinc/52/41/47/1137524147.db2.gz RDDOPNNUVLSGPT-IBGZPJMESA-N 2 1 346.515 3.753 20 0 EHADMP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974718 1137524932 /nfs/dbraw/zinc/52/49/32/1137524932.db2.gz IVWQOGTVVIOZLL-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974718 1137524933 /nfs/dbraw/zinc/52/49/33/1137524933.db2.gz IVWQOGTVVIOZLL-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP CC1(C)C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977397 1137525679 /nfs/dbraw/zinc/52/56/79/1137525679.db2.gz FHNSNSXVWSCOFR-LJQANCHMSA-N 2 1 330.516 3.714 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@](C)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977604 1137526069 /nfs/dbraw/zinc/52/60/69/1137526069.db2.gz RXOQODWXSQOBGB-IFMALSPDSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977604 1137526071 /nfs/dbraw/zinc/52/60/71/1137526071.db2.gz RXOQODWXSQOBGB-IFMALSPDSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977604 1137526072 /nfs/dbraw/zinc/52/60/72/1137526072.db2.gz RXOQODWXSQOBGB-IFMALSPDSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977489 1137526165 /nfs/dbraw/zinc/52/61/65/1137526165.db2.gz BJZAQZPUUGFOHS-RTWAWAEBSA-N 2 1 344.543 3.960 20 0 EHADMP C[N@@H+](CCc1ccccn1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171978531 1137526219 /nfs/dbraw/zinc/52/62/19/1137526219.db2.gz ZBEYCVXQGDEWQL-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978531 1137526221 /nfs/dbraw/zinc/52/62/21/1137526221.db2.gz ZBEYCVXQGDEWQL-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978531 1137526222 /nfs/dbraw/zinc/52/62/22/1137526222.db2.gz ZBEYCVXQGDEWQL-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984362 1137527209 /nfs/dbraw/zinc/52/72/09/1137527209.db2.gz KOFLUAFIZNLTGZ-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984362 1137527211 /nfs/dbraw/zinc/52/72/11/1137527211.db2.gz KOFLUAFIZNLTGZ-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984362 1137527213 /nfs/dbraw/zinc/52/72/13/1137527213.db2.gz KOFLUAFIZNLTGZ-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CC[N@H+](C1CCOCC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985178 1137527345 /nfs/dbraw/zinc/52/73/45/1137527345.db2.gz SNZMETRARWADMU-FQEVSTJZSA-N 2 1 330.516 3.931 20 0 EHADMP CC[N@@H+](C1CCOCC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985178 1137527346 /nfs/dbraw/zinc/52/73/46/1137527346.db2.gz SNZMETRARWADMU-FQEVSTJZSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985178 1137527347 /nfs/dbraw/zinc/52/73/47/1137527347.db2.gz SNZMETRARWADMU-FQEVSTJZSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985178 1137527348 /nfs/dbraw/zinc/52/73/48/1137527348.db2.gz SNZMETRARWADMU-FQEVSTJZSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074202 1137530112 /nfs/dbraw/zinc/53/01/12/1137530112.db2.gz GENKKBKDUYNAOV-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074202 1137530114 /nfs/dbraw/zinc/53/01/14/1137530114.db2.gz GENKKBKDUYNAOV-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074202 1137530116 /nfs/dbraw/zinc/53/01/16/1137530116.db2.gz GENKKBKDUYNAOV-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074202 1137530118 /nfs/dbraw/zinc/53/01/18/1137530118.db2.gz GENKKBKDUYNAOV-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001172083093 1137531475 /nfs/dbraw/zinc/53/14/75/1137531475.db2.gz NPWMMQZDAJITIF-SROFAIGKSA-N 2 1 340.511 3.539 20 0 EHADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001172083093 1137531476 /nfs/dbraw/zinc/53/14/76/1137531476.db2.gz NPWMMQZDAJITIF-SROFAIGKSA-N 2 1 340.511 3.539 20 0 EHADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001172083093 1137531477 /nfs/dbraw/zinc/53/14/77/1137531477.db2.gz NPWMMQZDAJITIF-SROFAIGKSA-N 2 1 340.511 3.539 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081278 1137531521 /nfs/dbraw/zinc/53/15/21/1137531521.db2.gz DZRGQRZESWHGQN-BQJUDKOJSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081278 1137531522 /nfs/dbraw/zinc/53/15/22/1137531522.db2.gz DZRGQRZESWHGQN-BQJUDKOJSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172081278 1137531523 /nfs/dbraw/zinc/53/15/23/1137531523.db2.gz DZRGQRZESWHGQN-BQJUDKOJSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172081278 1137531524 /nfs/dbraw/zinc/53/15/24/1137531524.db2.gz DZRGQRZESWHGQN-BQJUDKOJSA-N 2 1 342.527 3.807 20 0 EHADMP C[N@H+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090688 1137532055 /nfs/dbraw/zinc/53/20/55/1137532055.db2.gz WBKDTTBLHFNVFM-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090688 1137532056 /nfs/dbraw/zinc/53/20/56/1137532056.db2.gz WBKDTTBLHFNVFM-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090688 1137532058 /nfs/dbraw/zinc/53/20/58/1137532058.db2.gz WBKDTTBLHFNVFM-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090688 1137532060 /nfs/dbraw/zinc/53/20/60/1137532060.db2.gz WBKDTTBLHFNVFM-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1COCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068846 1137534179 /nfs/dbraw/zinc/53/41/79/1137534179.db2.gz LMAMPZXVOHELGL-PBASOCQRSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1COCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068846 1137534181 /nfs/dbraw/zinc/53/41/81/1137534181.db2.gz LMAMPZXVOHELGL-PBASOCQRSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1COCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068846 1137534183 /nfs/dbraw/zinc/53/41/83/1137534183.db2.gz LMAMPZXVOHELGL-PBASOCQRSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1COCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068846 1137534185 /nfs/dbraw/zinc/53/41/85/1137534185.db2.gz LMAMPZXVOHELGL-PBASOCQRSA-N 2 1 328.500 3.540 20 0 EHADMP COc1cccc([C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172130748 1137535432 /nfs/dbraw/zinc/53/54/32/1137535432.db2.gz RCBZDKSVAGMFKV-VNTMZGSJSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130748 1137535434 /nfs/dbraw/zinc/53/54/34/1137535434.db2.gz RCBZDKSVAGMFKV-VNTMZGSJSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130748 1137535436 /nfs/dbraw/zinc/53/54/36/1137535436.db2.gz RCBZDKSVAGMFKV-VNTMZGSJSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172130748 1137535438 /nfs/dbraw/zinc/53/54/38/1137535438.db2.gz RCBZDKSVAGMFKV-VNTMZGSJSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172130748 1137535439 /nfs/dbraw/zinc/53/54/39/1137535439.db2.gz RCBZDKSVAGMFKV-VNTMZGSJSA-N 2 1 328.500 3.890 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001172133652 1137536178 /nfs/dbraw/zinc/53/61/78/1137536178.db2.gz UJYBYDFZVRRCCA-ADHGMGHFSA-N 2 1 345.918 3.618 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001172102378 1137536387 /nfs/dbraw/zinc/53/63/87/1137536387.db2.gz MKPQSYVCLWCHKY-ZSOGYDGISA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001172102378 1137536389 /nfs/dbraw/zinc/53/63/89/1137536389.db2.gz MKPQSYVCLWCHKY-ZSOGYDGISA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cc(Br)ccc1F)C2 ZINC001172105097 1137536692 /nfs/dbraw/zinc/53/66/92/1137536692.db2.gz GOHZPTIHAMBFSB-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001172105097 1137536694 /nfs/dbraw/zinc/53/66/94/1137536694.db2.gz GOHZPTIHAMBFSB-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001172105097 1137536696 /nfs/dbraw/zinc/53/66/96/1137536696.db2.gz GOHZPTIHAMBFSB-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001172110968 1137536923 /nfs/dbraw/zinc/53/69/23/1137536923.db2.gz MWVNTEKUAUUWGC-BJWYYQGGSA-N 2 1 347.934 3.605 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031561 1137566455 /nfs/dbraw/zinc/56/64/55/1137566455.db2.gz KLCFQORGFKTVMK-SFTDATJTSA-N 2 1 342.527 3.632 20 0 EHADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872155678 1137574001 /nfs/dbraw/zinc/57/40/01/1137574001.db2.gz YJDUUMFBEKVXCK-LBPRGKRZSA-N 2 1 346.302 3.771 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1C(F)(F)F ZINC000873227705 1137594511 /nfs/dbraw/zinc/59/45/11/1137594511.db2.gz MRRHGXCBMSRVMJ-ZBFHGGJFSA-N 2 1 340.414 3.984 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1C(F)(F)F ZINC000873227705 1137594512 /nfs/dbraw/zinc/59/45/12/1137594512.db2.gz MRRHGXCBMSRVMJ-ZBFHGGJFSA-N 2 1 340.414 3.984 20 0 EHADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(N2CCCC2)o1 ZINC001137069791 1137595613 /nfs/dbraw/zinc/59/56/13/1137595613.db2.gz NLMOIYMXTAQBIQ-ROUUACIJSA-N 2 1 331.504 3.719 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(N2CCCC2)o1 ZINC001137069791 1137595614 /nfs/dbraw/zinc/59/56/14/1137595614.db2.gz NLMOIYMXTAQBIQ-ROUUACIJSA-N 2 1 331.504 3.719 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)o1 ZINC001137069791 1137595615 /nfs/dbraw/zinc/59/56/15/1137595615.db2.gz NLMOIYMXTAQBIQ-ROUUACIJSA-N 2 1 331.504 3.719 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)o1 ZINC001137069791 1137595616 /nfs/dbraw/zinc/59/56/16/1137595616.db2.gz NLMOIYMXTAQBIQ-ROUUACIJSA-N 2 1 331.504 3.719 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCCC3CCOCC3)cc2)CC1 ZINC000876866233 1137664176 /nfs/dbraw/zinc/66/41/76/1137664176.db2.gz RNVPEQAPQJTLAP-UHFFFAOYSA-N 2 1 345.531 3.693 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000877146704 1137671585 /nfs/dbraw/zinc/67/15/85/1137671585.db2.gz YZIQHXZEQXEQLF-UHFFFAOYSA-N 2 1 344.890 3.652 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)cn1 ZINC000126485921 1137675021 /nfs/dbraw/zinc/67/50/21/1137675021.db2.gz ABALTBPRMXKWHP-NRFANRHFSA-N 2 1 346.478 3.995 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000877472058 1137677486 /nfs/dbraw/zinc/67/74/86/1137677486.db2.gz IULSCMVKIYFADX-HOJAQTOUSA-N 2 1 330.516 3.740 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000877472058 1137677487 /nfs/dbraw/zinc/67/74/87/1137677487.db2.gz IULSCMVKIYFADX-HOJAQTOUSA-N 2 1 330.516 3.740 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196971 1137706675 /nfs/dbraw/zinc/70/66/75/1137706675.db2.gz KIOQHUXRFLUWTL-IVAOSVALSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196971 1137706676 /nfs/dbraw/zinc/70/66/76/1137706676.db2.gz KIOQHUXRFLUWTL-IVAOSVALSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196971 1137706677 /nfs/dbraw/zinc/70/66/77/1137706677.db2.gz KIOQHUXRFLUWTL-IVAOSVALSA-N 2 1 328.500 3.713 20 0 EHADMP O[C@@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000878252560 1137708650 /nfs/dbraw/zinc/70/86/50/1137708650.db2.gz ORLOXEANSJUISC-DOMZBBRYSA-N 2 1 340.254 3.630 20 0 EHADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878288322 1137709873 /nfs/dbraw/zinc/70/98/73/1137709873.db2.gz VMVJXVDFSGJLAN-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878288322 1137709875 /nfs/dbraw/zinc/70/98/75/1137709875.db2.gz VMVJXVDFSGJLAN-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000879201925 1137740990 /nfs/dbraw/zinc/74/09/90/1137740990.db2.gz AZHXLBHXPIEXPC-NRFANRHFSA-N 2 1 338.495 3.824 20 0 EHADMP C[C@H](c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579537 1137751633 /nfs/dbraw/zinc/75/16/33/1137751633.db2.gz NJRXXHIAMDGVQJ-XOKHGSTOSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579537 1137751634 /nfs/dbraw/zinc/75/16/34/1137751634.db2.gz NJRXXHIAMDGVQJ-XOKHGSTOSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1)C(F)(F)F ZINC000879579537 1137751635 /nfs/dbraw/zinc/75/16/35/1137751635.db2.gz NJRXXHIAMDGVQJ-XOKHGSTOSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1)C(F)(F)F ZINC000879579537 1137751636 /nfs/dbraw/zinc/75/16/36/1137751636.db2.gz NJRXXHIAMDGVQJ-XOKHGSTOSA-N 2 1 326.406 3.878 20 0 EHADMP Cc1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1 ZINC001137154313 1137779189 /nfs/dbraw/zinc/77/91/89/1137779189.db2.gz CKDJAXPILHCZAG-KDURUIRLSA-N 2 1 326.509 3.929 20 0 EHADMP Cc1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1 ZINC001137154313 1137779190 /nfs/dbraw/zinc/77/91/90/1137779190.db2.gz CKDJAXPILHCZAG-KDURUIRLSA-N 2 1 326.509 3.929 20 0 EHADMP Cc1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1 ZINC001137154313 1137779191 /nfs/dbraw/zinc/77/91/91/1137779191.db2.gz CKDJAXPILHCZAG-KDURUIRLSA-N 2 1 326.509 3.929 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882725719 1137832603 /nfs/dbraw/zinc/83/26/03/1137832603.db2.gz ZLSBWUAYZNFOIX-MRXNPFEDSA-N 2 1 345.874 3.626 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCC1CCOCC1)CC2 ZINC001202638806 1137903239 /nfs/dbraw/zinc/90/32/39/1137903239.db2.gz ZWKZWERMCLJEJK-HXUWFJFHSA-N 2 1 346.515 3.773 20 0 EHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001202656079 1137909041 /nfs/dbraw/zinc/90/90/41/1137909041.db2.gz QXEVOLPAIYAIJN-BBWFWOEESA-N 2 1 341.540 3.532 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001202656079 1137909042 /nfs/dbraw/zinc/90/90/42/1137909042.db2.gz QXEVOLPAIYAIJN-BBWFWOEESA-N 2 1 341.540 3.532 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000885924621 1138025264 /nfs/dbraw/zinc/02/52/64/1138025264.db2.gz RQYRCOUFMACTAK-IYBDPMFKSA-N 2 1 340.515 3.794 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000885924118 1138025351 /nfs/dbraw/zinc/02/53/51/1138025351.db2.gz HTESMFJHBLMSRD-CTNGQTDRSA-N 2 1 330.516 3.897 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000886317822 1138067146 /nfs/dbraw/zinc/06/71/46/1138067146.db2.gz BNTKHGKPDWMUDE-NRFANRHFSA-N 2 1 342.527 3.632 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886587900 1138099998 /nfs/dbraw/zinc/09/99/98/1138099998.db2.gz IALSKOJWVRFCGC-MPAQAYSTSA-N 2 1 342.527 3.834 20 0 EHADMP CCc1nc2ccccc2n1C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000093301917 1138235725 /nfs/dbraw/zinc/23/57/25/1138235725.db2.gz QLPVNFXQHXRXMP-KRWDZBQOSA-N 2 1 340.515 3.720 20 0 EHADMP CC(C)n1ccnc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264031166 1138408425 /nfs/dbraw/zinc/40/84/25/1138408425.db2.gz AEFHAWXKHNDKCW-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP CC(C)n1ccnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264031166 1138408427 /nfs/dbraw/zinc/40/84/27/1138408427.db2.gz AEFHAWXKHNDKCW-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP CC(C)n1ccnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264031166 1138408429 /nfs/dbraw/zinc/40/84/29/1138408429.db2.gz AEFHAWXKHNDKCW-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)oc1C ZINC000337490002 1138584642 /nfs/dbraw/zinc/58/46/42/1138584642.db2.gz VKXGXGHLESWIDD-MRXNPFEDSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000134784994 1138705437 /nfs/dbraw/zinc/70/54/37/1138705437.db2.gz MFNNMFYZHVLBLU-YGBSJELFSA-N 2 1 337.467 3.789 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCC[C@@H]2C)cc1 ZINC000337996958 1138719269 /nfs/dbraw/zinc/71/92/69/1138719269.db2.gz BPTICBUMGFJIGE-SFHVURJKSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000337996958 1138719273 /nfs/dbraw/zinc/71/92/73/1138719273.db2.gz BPTICBUMGFJIGE-SFHVURJKSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000337996958 1138719276 /nfs/dbraw/zinc/71/92/76/1138719276.db2.gz BPTICBUMGFJIGE-SFHVURJKSA-N 2 1 345.531 3.523 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000175013741 1139457174 /nfs/dbraw/zinc/45/71/74/1139457174.db2.gz HMFSHOCIXCICMH-VQTJNVASSA-N 2 1 339.483 3.623 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2ccccc2c1 ZINC000177302788 1139611481 /nfs/dbraw/zinc/61/14/81/1139611481.db2.gz XZKVXDRPTKYWPC-GOSISDBHSA-N 2 1 325.500 3.518 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000177814045 1139643514 /nfs/dbraw/zinc/64/35/14/1139643514.db2.gz RILGYTPVJFGTKP-DGCLKSJQSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814045 1139643515 /nfs/dbraw/zinc/64/35/15/1139643515.db2.gz RILGYTPVJFGTKP-DGCLKSJQSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814045 1139643516 /nfs/dbraw/zinc/64/35/16/1139643516.db2.gz RILGYTPVJFGTKP-DGCLKSJQSA-N 2 1 329.257 3.503 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178372056 1139690378 /nfs/dbraw/zinc/69/03/78/1139690378.db2.gz SJSKLRQNKSNYDE-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000178702726 1139713449 /nfs/dbraw/zinc/71/34/49/1139713449.db2.gz CPIAPDJKUDGKED-YJBOKZPZSA-N 2 1 325.456 3.864 20 0 EHADMP CCC[N@H+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180113215 1139809826 /nfs/dbraw/zinc/80/98/26/1139809826.db2.gz GOGVKNQKSDTXNJ-MJLAPFRSSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180113215 1139809833 /nfs/dbraw/zinc/80/98/33/1139809833.db2.gz GOGVKNQKSDTXNJ-MJLAPFRSSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180113215 1139809840 /nfs/dbraw/zinc/80/98/40/1139809840.db2.gz GOGVKNQKSDTXNJ-MJLAPFRSSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180113215 1139809849 /nfs/dbraw/zinc/80/98/49/1139809849.db2.gz GOGVKNQKSDTXNJ-MJLAPFRSSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180113215 1139809857 /nfs/dbraw/zinc/80/98/57/1139809857.db2.gz GOGVKNQKSDTXNJ-MJLAPFRSSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180113215 1139809864 /nfs/dbraw/zinc/80/98/64/1139809864.db2.gz GOGVKNQKSDTXNJ-MJLAPFRSSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180113215 1139809871 /nfs/dbraw/zinc/80/98/71/1139809871.db2.gz GOGVKNQKSDTXNJ-MJLAPFRSSA-N 3 1 341.543 3.504 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000182251080 1139961008 /nfs/dbraw/zinc/96/10/08/1139961008.db2.gz OMXGNKVZZBIBQL-VQIMIIECSA-N 2 1 342.483 3.650 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000182251080 1139961011 /nfs/dbraw/zinc/96/10/11/1139961011.db2.gz OMXGNKVZZBIBQL-VQIMIIECSA-N 2 1 342.483 3.650 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155572 1140016806 /nfs/dbraw/zinc/01/68/06/1140016806.db2.gz XGWPKTBSLCFYLG-TUFLPTIASA-N 2 1 342.527 3.834 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000183194627 1140020038 /nfs/dbraw/zinc/02/00/38/1140020038.db2.gz GTPICYXHHVJPAT-QLVMHMETSA-N 2 1 328.500 3.925 20 0 EHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCO2 ZINC000183198093 1140020213 /nfs/dbraw/zinc/02/02/13/1140020213.db2.gz IGGUXXBREOALCI-BFYDXBDKSA-N 2 1 330.472 3.719 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000183699914 1140053196 /nfs/dbraw/zinc/05/31/96/1140053196.db2.gz OGSOEZQYHZPSKA-UHFFFAOYSA-N 2 1 348.288 3.586 20 0 EHADMP Cc1ccc2cc(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)ccc2n1 ZINC000189371063 1140338435 /nfs/dbraw/zinc/33/84/35/1140338435.db2.gz ZMULAGRUOCQZIK-UHFFFAOYSA-N 2 1 341.499 3.522 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190588841 1140411154 /nfs/dbraw/zinc/41/11/54/1140411154.db2.gz OGSIDLCXTBEYQG-IAQYHMDHSA-N 2 1 343.334 3.893 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000192747441 1140548859 /nfs/dbraw/zinc/54/88/59/1140548859.db2.gz IAVYMJOWGVLRRE-GHTZIAJQSA-N 2 1 347.522 3.625 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193174017 1140566436 /nfs/dbraw/zinc/56/64/36/1140566436.db2.gz WMUSSDVIABHFAR-OAHLLOKOSA-N 2 1 333.501 3.861 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193174017 1140566442 /nfs/dbraw/zinc/56/64/42/1140566442.db2.gz WMUSSDVIABHFAR-OAHLLOKOSA-N 2 1 333.501 3.861 20 0 EHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429575977 1140574891 /nfs/dbraw/zinc/57/48/91/1140574891.db2.gz FGRSGERPROJBHP-YVEFUNNKSA-N 2 1 331.847 3.601 20 0 EHADMP Cc1cc(N2CCC([NH2+]CC[C@@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000194565331 1140614856 /nfs/dbraw/zinc/61/48/56/1140614856.db2.gz LAMGJVSKERDFRL-MRXNPFEDSA-N 2 1 338.499 3.846 20 0 EHADMP Brc1ccsc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266890176 1140734710 /nfs/dbraw/zinc/73/47/10/1140734710.db2.gz CPVGFNCEQOSQLT-SNVBAGLBSA-N 2 1 326.263 3.613 20 0 EHADMP Brc1ccsc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266890176 1140734715 /nfs/dbraw/zinc/73/47/15/1140734715.db2.gz CPVGFNCEQOSQLT-SNVBAGLBSA-N 2 1 326.263 3.613 20 0 EHADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000268852342 1141009665 /nfs/dbraw/zinc/00/96/65/1141009665.db2.gz QBBKVEIOJBPUCU-QFIPXVFZSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000268933439 1141028581 /nfs/dbraw/zinc/02/85/81/1141028581.db2.gz NFTFBPJFMHRJKB-PAMCTJKJSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933439 1141028586 /nfs/dbraw/zinc/02/85/86/1141028586.db2.gz NFTFBPJFMHRJKB-PAMCTJKJSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933439 1141028593 /nfs/dbraw/zinc/02/85/93/1141028593.db2.gz NFTFBPJFMHRJKB-PAMCTJKJSA-N 2 1 341.543 3.644 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000268982034 1141039987 /nfs/dbraw/zinc/03/99/87/1141039987.db2.gz DCNZKVJIQGSQAW-BEFAXECRSA-N 2 1 343.540 3.945 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000268982034 1141039995 /nfs/dbraw/zinc/03/99/95/1141039995.db2.gz DCNZKVJIQGSQAW-BEFAXECRSA-N 2 1 343.540 3.945 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000269027655 1141049499 /nfs/dbraw/zinc/04/94/99/1141049499.db2.gz QXKRWZPHVOZHNF-OAHLLOKOSA-N 2 1 330.472 3.515 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCNc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000269101604 1141065185 /nfs/dbraw/zinc/06/51/85/1141065185.db2.gz UGCQVDYUYQMKPE-ICSRJNTNSA-N 3 1 338.499 3.526 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCNc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000269101604 1141065193 /nfs/dbraw/zinc/06/51/93/1141065193.db2.gz UGCQVDYUYQMKPE-ICSRJNTNSA-N 2 1 338.499 3.526 20 0 EHADMP C[C@@H](c1nc2ccccc2n1C(F)F)N(C)CCCn1ccnc1 ZINC000269178003 1141075823 /nfs/dbraw/zinc/07/58/23/1141075823.db2.gz GJWFFKTWCOSQPF-ZDUSSCGKSA-N 2 1 333.386 3.711 20 0 EHADMP O[C@@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1Cl ZINC000270324966 1141206753 /nfs/dbraw/zinc/20/67/53/1141206753.db2.gz JYGPUZXITDSODO-NHYWBVRUSA-N 2 1 340.254 3.630 20 0 EHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000271113368 1141309505 /nfs/dbraw/zinc/30/95/05/1141309505.db2.gz HXEALKPHVPCIQD-HNNXBMFYSA-N 2 1 333.501 3.715 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000271562286 1141397392 /nfs/dbraw/zinc/39/73/92/1141397392.db2.gz XWXTUPAVWSNVCH-FUHWJXTLSA-N 2 1 329.513 3.576 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000271562286 1141397400 /nfs/dbraw/zinc/39/74/00/1141397400.db2.gz XWXTUPAVWSNVCH-FUHWJXTLSA-N 2 1 329.513 3.576 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC(C)C ZINC000349146755 1141645868 /nfs/dbraw/zinc/64/58/68/1141645868.db2.gz HNUDGCHQBGRHNT-LJQANCHMSA-N 2 1 346.515 3.646 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Br)c1 ZINC000019912853 212083801 /nfs/dbraw/zinc/08/38/01/212083801.db2.gz YUTGELOFVAFISQ-CQSZACIVSA-N 2 1 325.294 3.803 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Br)c1 ZINC000019912853 212083802 /nfs/dbraw/zinc/08/38/02/212083802.db2.gz YUTGELOFVAFISQ-CQSZACIVSA-N 2 1 325.294 3.803 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019913149 212083778 /nfs/dbraw/zinc/08/37/78/212083778.db2.gz WWLVZRXJITWZPR-CYBMUJFWSA-N 2 1 343.284 3.942 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019913149 212083781 /nfs/dbraw/zinc/08/37/81/212083781.db2.gz WWLVZRXJITWZPR-CYBMUJFWSA-N 2 1 343.284 3.942 20 0 EHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C1)CCCC2 ZINC000299740299 564150538 /nfs/dbraw/zinc/15/05/38/564150538.db2.gz YEGDNMVBRXCFHY-INIZCTEOSA-N 2 1 341.503 3.538 20 0 EHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C1)CCCC2 ZINC000299740299 564150539 /nfs/dbraw/zinc/15/05/39/564150539.db2.gz YEGDNMVBRXCFHY-INIZCTEOSA-N 2 1 341.503 3.538 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000153384489 1125478863 /nfs/dbraw/zinc/47/88/63/1125478863.db2.gz CKFMTBGBPVIMCC-UXPWSPDFSA-N 2 1 349.950 3.797 20 0 EHADMP C[C@H]([NH2+]CCOc1cccc(Cl)c1Cl)c1c[nH+]ccc1N ZINC000579701801 1014224462 /nfs/dbraw/zinc/22/44/62/1014224462.db2.gz KZGJYNAPYHIMFW-JTQLQIEISA-N 2 1 326.227 3.531 20 0 EHADMP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000339390831 1014325790 /nfs/dbraw/zinc/32/57/90/1014325790.db2.gz GSXNRCGVWAUFQL-DOTOQJQBSA-N 2 1 346.450 3.634 20 0 EHADMP c1c2cccnc2oc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449020784 1032091192 /nfs/dbraw/zinc/09/11/92/1032091192.db2.gz ARKXVYSNQLONBM-QGZVFWFLSA-N 2 1 327.472 3.916 20 0 EHADMP c1c2cccnc2oc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449020784 1032091210 /nfs/dbraw/zinc/09/12/10/1032091210.db2.gz ARKXVYSNQLONBM-QGZVFWFLSA-N 2 1 327.472 3.916 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000320100541 1014447086 /nfs/dbraw/zinc/44/70/86/1014447086.db2.gz MDDOIKFVDNCUBH-AOIWGVFYSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000320100541 1014447096 /nfs/dbraw/zinc/44/70/96/1014447096.db2.gz MDDOIKFVDNCUBH-AOIWGVFYSA-N 2 1 346.515 3.607 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1ccc(F)cc1 ZINC000643546885 1014490789 /nfs/dbraw/zinc/49/07/89/1014490789.db2.gz WHKYNEJGKKNFJT-PBHICJAKSA-N 2 1 342.462 3.645 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000399654853 1014509896 /nfs/dbraw/zinc/50/98/96/1014509896.db2.gz CVVWBFBALUWKKZ-OAQYLSRUSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000399654853 1014509903 /nfs/dbraw/zinc/50/99/03/1014509903.db2.gz CVVWBFBALUWKKZ-OAQYLSRUSA-N 2 1 337.511 3.823 20 0 EHADMP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000595017884 1033611760 /nfs/dbraw/zinc/61/17/60/1033611760.db2.gz WTPRPWOAKVWMKK-GJZGRUSLSA-N 2 1 330.538 3.641 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000154542263 1015536414 /nfs/dbraw/zinc/53/64/14/1015536414.db2.gz KLXAPRXVXJGCPZ-FQEVSTJZSA-N 2 1 331.548 3.680 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751255 1016271994 /nfs/dbraw/zinc/27/19/94/1016271994.db2.gz VIILHALRLRPYLM-QFBILLFUSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751253 1016273064 /nfs/dbraw/zinc/27/30/64/1016273064.db2.gz VIILHALRLRPYLM-APWZRJJASA-N 2 1 335.923 3.503 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3([NH3+])CC4(CCC4)C3)c2C1 ZINC000659286464 1016441892 /nfs/dbraw/zinc/44/18/92/1016441892.db2.gz HSYIRRKVAITVOS-UHFFFAOYSA-N 2 1 341.499 3.648 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119327 1016467789 /nfs/dbraw/zinc/46/77/89/1016467789.db2.gz AABQQRJNIJYOPD-CABCVRRESA-N 2 1 326.431 3.979 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119327 1016467796 /nfs/dbraw/zinc/46/77/96/1016467796.db2.gz AABQQRJNIJYOPD-CABCVRRESA-N 2 1 326.431 3.979 20 0 EHADMP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+](Cc1cccc(N)c1)C2 ZINC000705886213 1016539255 /nfs/dbraw/zinc/53/92/55/1016539255.db2.gz HYYUYELEFOEYQB-FGZHOGPDSA-N 2 1 335.495 3.613 20 0 EHADMP CCOCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000782963507 1016876538 /nfs/dbraw/zinc/87/65/38/1016876538.db2.gz LNVAQCKNJPSVIM-LJQANCHMSA-N 2 1 334.504 3.517 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000275517633 1016955585 /nfs/dbraw/zinc/95/55/85/1016955585.db2.gz YQGBGINIRMDXMO-WOJBJXKFSA-N 2 1 334.479 3.854 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449070946 1032157872 /nfs/dbraw/zinc/15/78/72/1032157872.db2.gz GFQBRZQYWYJNET-ZDUSSCGKSA-N 2 1 344.459 3.880 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459468599 1032168175 /nfs/dbraw/zinc/16/81/75/1032168175.db2.gz RPMGFANGNWMSHM-UHFFFAOYSA-N 3 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CNC2CC[NH+](C3CC3)CC2)CC1 ZINC000459468599 1032168188 /nfs/dbraw/zinc/16/81/88/1032168188.db2.gz RPMGFANGNWMSHM-UHFFFAOYSA-N 2 1 341.543 3.635 20 0 EHADMP Fc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000449098895 1032177712 /nfs/dbraw/zinc/17/77/12/1032177712.db2.gz RTVSDUOHAHICQU-UHFFFAOYSA-N 2 1 341.268 3.695 20 0 EHADMP CC(=O)Oc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183689968 1032195765 /nfs/dbraw/zinc/19/57/65/1032195765.db2.gz UUBXUMDYOUNLEK-HNNXBMFYSA-N 2 1 349.434 3.957 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634033 1032208190 /nfs/dbraw/zinc/20/81/90/1032208190.db2.gz PCXXSSCCFFGKEG-OPYAIIAOSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634033 1032208203 /nfs/dbraw/zinc/20/82/03/1032208203.db2.gz PCXXSSCCFFGKEG-OPYAIIAOSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+](C)C2CCCC2)CC1 ZINC000449127722 1032221725 /nfs/dbraw/zinc/22/17/25/1032221725.db2.gz QAOBTXULEOSRQO-LJQANCHMSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442953 1032283563 /nfs/dbraw/zinc/28/35/63/1032283563.db2.gz YVTXHJPUZYRKJY-DZGCQCFKSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442953 1032283578 /nfs/dbraw/zinc/28/35/78/1032283578.db2.gz YVTXHJPUZYRKJY-DZGCQCFKSA-N 2 1 341.421 3.843 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449181529 1032294643 /nfs/dbraw/zinc/29/46/43/1032294643.db2.gz HYTZEBBZRFZWJJ-QGZVFWFLSA-N 2 1 344.499 3.843 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000538398968 1032329457 /nfs/dbraw/zinc/32/94/57/1032329457.db2.gz VIKRIEWYIZQSKR-VQTJNVASSA-N 2 1 330.516 3.753 20 0 EHADMP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000905075070 1032343026 /nfs/dbraw/zinc/34/30/26/1032343026.db2.gz IQBXOYPECYITPD-PXNSSMCTSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000905075070 1032343037 /nfs/dbraw/zinc/34/30/37/1032343037.db2.gz IQBXOYPECYITPD-PXNSSMCTSA-N 2 1 344.524 3.592 20 0 EHADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)c1 ZINC000422729455 1032405179 /nfs/dbraw/zinc/40/51/79/1032405179.db2.gz BSLTXPFMPWWUTR-HXUWFJFHSA-N 2 1 339.483 3.645 20 0 EHADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCC(C)C ZINC000459736713 1032432781 /nfs/dbraw/zinc/43/27/81/1032432781.db2.gz QRJNKGRCQZRBHI-QGZVFWFLSA-N 2 1 334.504 3.552 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC3 ZINC000459729004 1032433418 /nfs/dbraw/zinc/43/34/18/1032433418.db2.gz DBDFKLJNHNKHIQ-IRXDYDNUSA-N 2 1 325.500 3.655 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000459733110 1032437025 /nfs/dbraw/zinc/43/70/25/1032437025.db2.gz GHVORVBHHSLLFH-SFHVURJKSA-N 3 1 337.596 3.987 20 0 EHADMP CCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000459744892 1032458842 /nfs/dbraw/zinc/45/88/42/1032458842.db2.gz YFUGLNFPNOKWSW-AWEZNQCLSA-N 2 1 342.430 3.508 20 0 EHADMP c1c2cccnc2oc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000449335287 1032471286 /nfs/dbraw/zinc/47/12/86/1032471286.db2.gz KSMWYFHDDLRPST-VQTJNVASSA-N 2 1 347.462 3.782 20 0 EHADMP c1c2cccnc2oc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000449335287 1032471290 /nfs/dbraw/zinc/47/12/90/1032471290.db2.gz KSMWYFHDDLRPST-VQTJNVASSA-N 2 1 347.462 3.782 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000459796691 1032479158 /nfs/dbraw/zinc/47/91/58/1032479158.db2.gz WFRMQMMZPFRQGO-UONOGXRCSA-N 2 1 325.294 3.832 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375749281 1032546817 /nfs/dbraw/zinc/54/68/17/1032546817.db2.gz CSZADGGQQKXARS-GOSISDBHSA-N 2 1 343.471 3.524 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375749281 1032546823 /nfs/dbraw/zinc/54/68/23/1032546823.db2.gz CSZADGGQQKXARS-GOSISDBHSA-N 2 1 343.471 3.524 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090522474 1032584128 /nfs/dbraw/zinc/58/41/28/1032584128.db2.gz VLGCSTLFWILJAW-CFVMTHIKSA-N 2 1 342.936 3.820 20 0 EHADMP Cc1csc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000449474192 1032594437 /nfs/dbraw/zinc/59/44/37/1032594437.db2.gz CYHQJKCVXDGMKF-UHFFFAOYSA-N 2 1 332.488 3.992 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000163455856 1032601171 /nfs/dbraw/zinc/60/11/71/1032601171.db2.gz XRLSFJSXLYAWFQ-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449477436 1032601676 /nfs/dbraw/zinc/60/16/76/1032601676.db2.gz IFBVVELJTKQGLX-SESVDKBCSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000158842086 1032649744 /nfs/dbraw/zinc/64/97/44/1032649744.db2.gz LGFCLAYZTGGNPA-UTKZUKDTSA-N 2 1 348.506 3.836 20 0 EHADMP Cc1c(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236213108 1123088789 /nfs/dbraw/zinc/08/87/89/1123088789.db2.gz AZCGLGIXWBWZOQ-HOTGVXAUSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1c(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236213108 1123088793 /nfs/dbraw/zinc/08/87/93/1123088793.db2.gz AZCGLGIXWBWZOQ-HOTGVXAUSA-N 2 1 325.294 3.768 20 0 EHADMP COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188787954 1017280111 /nfs/dbraw/zinc/28/01/11/1017280111.db2.gz SGNFZRYNBZPYMB-HUUCEWRRSA-N 2 1 336.439 3.996 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2)C1 ZINC000655689347 1017391546 /nfs/dbraw/zinc/39/15/46/1017391546.db2.gz ARAVNMAMBRFACO-PXNSSMCTSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2)C1 ZINC000655689347 1017391554 /nfs/dbraw/zinc/39/15/54/1017391554.db2.gz ARAVNMAMBRFACO-PXNSSMCTSA-N 2 1 338.499 3.740 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000340404014 1017405886 /nfs/dbraw/zinc/40/58/86/1017405886.db2.gz UZVWVTWUXCZNPQ-IAGOWNOFSA-N 2 1 334.504 3.552 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000655703095 1017428008 /nfs/dbraw/zinc/42/80/08/1017428008.db2.gz LURBSIVGZZEHAI-IEBWSBKVSA-N 2 1 339.483 3.653 20 0 EHADMP Fc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655742068 1017512160 /nfs/dbraw/zinc/51/21/60/1017512160.db2.gz OBJDTBVRDACDOI-HXUWFJFHSA-N 2 1 346.490 3.828 20 0 EHADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000415086133 1017532044 /nfs/dbraw/zinc/53/20/44/1017532044.db2.gz UFTXSWGCKVOXDT-YOEHRIQHSA-N 2 1 329.419 3.633 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275602326 1017573647 /nfs/dbraw/zinc/57/36/47/1017573647.db2.gz QKSWFSLWRYIJPX-GDBMZVCRSA-N 2 1 349.425 3.658 20 0 EHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C1 ZINC000415125066 1017587811 /nfs/dbraw/zinc/58/78/11/1017587811.db2.gz NPMNKFWHNWVEOO-RDJZCZTQSA-N 2 1 343.298 3.712 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 ZINC000655785834 1017594280 /nfs/dbraw/zinc/59/42/80/1017594280.db2.gz MPSFKUWTGKIJMO-RTWAWAEBSA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000655852890 1017786402 /nfs/dbraw/zinc/78/64/02/1017786402.db2.gz QBJRUDFCCDPSHN-OAQYLSRUSA-N 2 1 342.527 3.775 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000537446581 1032734517 /nfs/dbraw/zinc/73/45/17/1032734517.db2.gz UDBRDRSCVDUDGY-GHTZIAJQSA-N 2 1 347.547 3.606 20 0 EHADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000377617986 1018069526 /nfs/dbraw/zinc/06/95/26/1018069526.db2.gz BLBMEZACSHIYIR-JXFKEZNVSA-N 2 1 349.950 3.544 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000340513790 1018198072 /nfs/dbraw/zinc/19/80/72/1018198072.db2.gz GUEIGCAIAMYVBJ-QXCFHYIPSA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000340513790 1018198080 /nfs/dbraw/zinc/19/80/80/1018198080.db2.gz GUEIGCAIAMYVBJ-QXCFHYIPSA-N 2 1 346.540 3.507 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000580301723 1018944312 /nfs/dbraw/zinc/94/43/12/1018944312.db2.gz KFSOJSJENOXSBB-QINHECLXSA-N 2 1 339.483 3.562 20 0 EHADMP COCc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708550702 1032811082 /nfs/dbraw/zinc/81/10/82/1032811082.db2.gz IPHPEZGVACMMST-PGRDOPGGSA-N 2 1 338.495 3.691 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000125550207 1019328348 /nfs/dbraw/zinc/32/83/48/1019328348.db2.gz HWYAUSWFWCXMPD-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000125550207 1019328364 /nfs/dbraw/zinc/32/83/64/1019328364.db2.gz HWYAUSWFWCXMPD-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP C[C@@H]1C[C@@H](NCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000580471661 1019425742 /nfs/dbraw/zinc/42/57/42/1019425742.db2.gz BCDJVYOTXDAPMZ-SBHAEUEKSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000580471661 1019425763 /nfs/dbraw/zinc/42/57/63/1019425763.db2.gz BCDJVYOTXDAPMZ-SBHAEUEKSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000580471660 1019426109 /nfs/dbraw/zinc/42/61/09/1019426109.db2.gz BCDJVYOTXDAPMZ-DYXWJJEUSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000580471660 1019426123 /nfs/dbraw/zinc/42/61/23/1019426123.db2.gz BCDJVYOTXDAPMZ-DYXWJJEUSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000433630146 1019469377 /nfs/dbraw/zinc/46/93/77/1019469377.db2.gz DGQYUPYISPVFJZ-QMCAAQAGSA-N 2 1 342.527 3.548 20 0 EHADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000433630144 1019470258 /nfs/dbraw/zinc/47/02/58/1019470258.db2.gz DGQYUPYISPVFJZ-CDJZJNNCSA-N 2 1 342.527 3.548 20 0 EHADMP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1OCC2 ZINC000513420897 1019634606 /nfs/dbraw/zinc/63/46/06/1019634606.db2.gz RJGDCCMVMQYYOL-IBGZPJMESA-N 2 1 328.500 3.710 20 0 EHADMP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1OCC2 ZINC000513420897 1019634612 /nfs/dbraw/zinc/63/46/12/1019634612.db2.gz RJGDCCMVMQYYOL-IBGZPJMESA-N 2 1 328.500 3.710 20 0 EHADMP Cc1ncc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000513487250 1019744837 /nfs/dbraw/zinc/74/48/37/1019744837.db2.gz ACNFLXLGRJECSD-MAUKXSAKSA-N 2 1 329.513 3.842 20 0 EHADMP CC(C)n1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513512054 1019774739 /nfs/dbraw/zinc/77/47/39/1019774739.db2.gz MVHVOGTXQWYCFS-QUCCMNQESA-N 2 1 340.515 3.854 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544435 1019808797 /nfs/dbraw/zinc/80/87/97/1019808797.db2.gz HYDRJLGBSYHFFR-QUCCMNQESA-N 2 1 348.494 3.725 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000513546035 1019812935 /nfs/dbraw/zinc/81/29/35/1019812935.db2.gz VMJQSQOJXMSTQB-VKAVYKQESA-N 2 1 349.950 3.607 20 0 EHADMP CCCn1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513539947 1019823226 /nfs/dbraw/zinc/82/32/26/1019823226.db2.gz SYUUFUATTCRCIZ-AZUAARDMSA-N 2 1 340.515 3.683 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513656464 1019910232 /nfs/dbraw/zinc/91/02/32/1019910232.db2.gz TUGSRZNPCJQPQK-XMTFNYHQSA-N 2 1 348.556 3.886 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000513656927 1019912647 /nfs/dbraw/zinc/91/26/47/1019912647.db2.gz ZCUFYHYILPCTJE-QHAWAJNXSA-N 2 1 328.500 3.970 20 0 EHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(-c2cnn(C)c2)s1 ZINC000349355303 1020168660 /nfs/dbraw/zinc/16/86/60/1020168660.db2.gz UQHYBJJXXQLYHF-UHFFFAOYSA-N 2 1 334.533 3.702 20 0 EHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(-c2cnn(C)c2)s1 ZINC000349355303 1020168667 /nfs/dbraw/zinc/16/86/67/1020168667.db2.gz UQHYBJJXXQLYHF-UHFFFAOYSA-N 2 1 334.533 3.702 20 0 EHADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430550992 1020641206 /nfs/dbraw/zinc/64/12/06/1020641206.db2.gz HIQXLFIEWKYORH-OAQYLSRUSA-N 2 1 339.483 3.645 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCS2 ZINC000276104125 1020648810 /nfs/dbraw/zinc/64/88/10/1020648810.db2.gz GJJZWKWQHLNZIV-SFHVURJKSA-N 2 1 332.513 3.839 20 0 EHADMP Brc1cccc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000656499052 1020747332 /nfs/dbraw/zinc/74/73/32/1020747332.db2.gz GDCDTNHWKKEGIL-UHFFFAOYSA-N 2 1 337.305 3.598 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430587452 1020807016 /nfs/dbraw/zinc/80/70/16/1020807016.db2.gz WAQNXQJOKHEHGM-INIZCTEOSA-N 2 1 339.483 3.917 20 0 EHADMP Cc1ccc(CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]2CCCO2)cc1 ZINC001167461849 1020906516 /nfs/dbraw/zinc/90/65/16/1020906516.db2.gz UAQGSWGZRHYZNV-LEWJYISDSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]2CCCO2)cc1 ZINC001167461849 1020906518 /nfs/dbraw/zinc/90/65/18/1020906518.db2.gz UAQGSWGZRHYZNV-LEWJYISDSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]2CCCO2)cc1 ZINC001167461849 1020906519 /nfs/dbraw/zinc/90/65/19/1020906519.db2.gz UAQGSWGZRHYZNV-LEWJYISDSA-N 2 1 330.516 3.503 20 0 EHADMP Fc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963697 1021176081 /nfs/dbraw/zinc/17/60/81/1021176081.db2.gz BHIKIKCOHQWJHX-IYHXRUFHSA-N 2 1 330.447 3.644 20 0 EHADMP Fc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963697 1021176085 /nfs/dbraw/zinc/17/60/85/1021176085.db2.gz BHIKIKCOHQWJHX-IYHXRUFHSA-N 2 1 330.447 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246583 1021179794 /nfs/dbraw/zinc/17/97/94/1021179794.db2.gz KNDIMZLFYUCYPY-IGCXYCKISA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246583 1021179796 /nfs/dbraw/zinc/17/97/96/1021179796.db2.gz KNDIMZLFYUCYPY-IGCXYCKISA-N 2 1 337.305 3.899 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCC[C@H]3C3CC3)CCCC2)CC1 ZINC000507522150 1021330573 /nfs/dbraw/zinc/33/05/73/1021330573.db2.gz DUIMQIRRGVSDRL-PMACEKPBSA-N 2 1 334.548 3.968 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)CCCC2)CC1 ZINC000507522153 1021330976 /nfs/dbraw/zinc/33/09/76/1021330976.db2.gz DUIMQIRRGVSDRL-WOJBJXKFSA-N 2 1 334.548 3.968 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630685 1021336664 /nfs/dbraw/zinc/33/66/64/1021336664.db2.gz RZIOOBLDECNFPP-IAGOWNOFSA-N 2 1 337.467 3.671 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2cnn(C(C)C)c2)c(C)c1 ZINC000341296618 1021370696 /nfs/dbraw/zinc/37/06/96/1021370696.db2.gz ZJHCKPQUGGYKOC-FQEVSTJZSA-N 2 1 337.471 3.808 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000684370531 1021378804 /nfs/dbraw/zinc/37/88/04/1021378804.db2.gz XANCSCNRUCMRGI-IOMROCGXSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000437104584 1021559355 /nfs/dbraw/zinc/55/93/55/1021559355.db2.gz PGNAALFBGUCPIK-XJKSGUPXSA-N 2 1 326.406 3.667 20 0 EHADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167987740 1021563645 /nfs/dbraw/zinc/56/36/45/1021563645.db2.gz MTQHOEHSACBLGA-BKUVARHGSA-N 2 1 332.532 3.530 20 0 EHADMP CCOC[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167987740 1021563658 /nfs/dbraw/zinc/56/36/58/1021563658.db2.gz MTQHOEHSACBLGA-BKUVARHGSA-N 2 1 332.532 3.530 20 0 EHADMP CCOC[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167987740 1021563666 /nfs/dbraw/zinc/56/36/66/1021563666.db2.gz MTQHOEHSACBLGA-BKUVARHGSA-N 2 1 332.532 3.530 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000437117551 1021571947 /nfs/dbraw/zinc/57/19/47/1021571947.db2.gz LLLNWEYNTOTBOP-IBGZPJMESA-N 2 1 338.499 3.623 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000437117551 1021571961 /nfs/dbraw/zinc/57/19/61/1021571961.db2.gz LLLNWEYNTOTBOP-IBGZPJMESA-N 2 1 338.499 3.623 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000437117551 1021571974 /nfs/dbraw/zinc/57/19/74/1021571974.db2.gz LLLNWEYNTOTBOP-IBGZPJMESA-N 2 1 338.499 3.623 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000437117551 1021571984 /nfs/dbraw/zinc/57/19/84/1021571984.db2.gz LLLNWEYNTOTBOP-IBGZPJMESA-N 2 1 338.499 3.623 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)s1 ZINC000090404677 1021672394 /nfs/dbraw/zinc/67/23/94/1021672394.db2.gz FBBKRSGTCWQGQM-HUUCEWRRSA-N 2 1 345.512 3.523 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)s1 ZINC000090404677 1021672406 /nfs/dbraw/zinc/67/24/06/1021672406.db2.gz FBBKRSGTCWQGQM-HUUCEWRRSA-N 2 1 345.512 3.523 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000188107553 1021821746 /nfs/dbraw/zinc/82/17/46/1021821746.db2.gz VKDYPZKFYHUIJT-CYBMUJFWSA-N 2 1 337.305 3.597 20 0 EHADMP CC[C@@H](c1ccccc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368385 1021868602 /nfs/dbraw/zinc/86/86/02/1021868602.db2.gz MSUZAHPWLSELFV-UEXGIBASSA-N 2 1 330.516 3.959 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000341461922 1021969297 /nfs/dbraw/zinc/96/92/97/1021969297.db2.gz SQMRUOFQUZJZHW-LJQANCHMSA-N 2 1 339.414 3.741 20 0 EHADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(-c3ccccc3)cs2)CC1(C)C ZINC000441330443 1022165435 /nfs/dbraw/zinc/16/54/35/1022165435.db2.gz GPYOYGYNNRUPTG-UHFFFAOYSA-N 2 1 343.540 3.531 20 0 EHADMP Fc1cc2c(c(F)c1)CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969063 1022287203 /nfs/dbraw/zinc/28/72/03/1022287203.db2.gz YZPXABGSYXZEMR-CIUFUOKISA-N 2 1 332.438 3.947 20 0 EHADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969063 1022287209 /nfs/dbraw/zinc/28/72/09/1022287209.db2.gz YZPXABGSYXZEMR-CIUFUOKISA-N 2 1 332.438 3.947 20 0 EHADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969063 1022287213 /nfs/dbraw/zinc/28/72/13/1022287213.db2.gz YZPXABGSYXZEMR-CIUFUOKISA-N 2 1 332.438 3.947 20 0 EHADMP Cc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001167994787 1022408213 /nfs/dbraw/zinc/40/82/13/1022408213.db2.gz OTFSDWNVZDGQRC-JGUMPVPUSA-N 2 1 325.500 3.932 20 0 EHADMP Cc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167994787 1022408222 /nfs/dbraw/zinc/40/82/22/1022408222.db2.gz OTFSDWNVZDGQRC-JGUMPVPUSA-N 2 1 325.500 3.932 20 0 EHADMP Cc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167994787 1022408231 /nfs/dbraw/zinc/40/82/31/1022408231.db2.gz OTFSDWNVZDGQRC-JGUMPVPUSA-N 2 1 325.500 3.932 20 0 EHADMP c1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167995392 1022423072 /nfs/dbraw/zinc/42/30/72/1022423072.db2.gz DFUJJDCFIMGVCJ-YOFSQIOKSA-N 2 1 325.500 3.666 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425953922 1022441315 /nfs/dbraw/zinc/44/13/15/1022441315.db2.gz XSWOFPPLVDVUEY-HUUCEWRRSA-N 2 1 331.529 3.891 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156519198 1022507460 /nfs/dbraw/zinc/50/74/60/1022507460.db2.gz OAODXDQZPJBJGB-BFQNTYOBSA-N 2 1 330.394 3.532 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156519198 1022507467 /nfs/dbraw/zinc/50/74/67/1022507467.db2.gz OAODXDQZPJBJGB-BFQNTYOBSA-N 2 1 330.394 3.532 20 0 EHADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993859 1022609704 /nfs/dbraw/zinc/60/97/04/1022609704.db2.gz MXCNAICPCCSKEB-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993859 1022609713 /nfs/dbraw/zinc/60/97/13/1022609713.db2.gz MXCNAICPCCSKEB-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993859 1022609721 /nfs/dbraw/zinc/60/97/21/1022609721.db2.gz MXCNAICPCCSKEB-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993859 1022609728 /nfs/dbraw/zinc/60/97/28/1022609728.db2.gz MXCNAICPCCSKEB-UGKGYDQZSA-N 2 1 338.495 3.625 20 0 EHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430723662 1022632553 /nfs/dbraw/zinc/63/25/53/1022632553.db2.gz SRMMZWOABGHGER-POZUXBRTSA-N 2 1 330.520 3.867 20 0 EHADMP C[C@@H](O)CCC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836009 1022686627 /nfs/dbraw/zinc/68/66/27/1022686627.db2.gz IEBCIDTVPRIQBQ-WIYYLYMNSA-N 2 1 344.543 3.770 20 0 EHADMP CC1(C)C[N@@H+](CCCCCO)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837784 1022703253 /nfs/dbraw/zinc/70/32/53/1022703253.db2.gz ZUMVXZKCLWREDZ-NRFANRHFSA-N 2 1 344.543 3.772 20 0 EHADMP Fc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978127 1022736650 /nfs/dbraw/zinc/73/66/50/1022736650.db2.gz JZKFQSUXBRTTSG-YQQQUEKLSA-N 2 1 328.475 3.896 20 0 EHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000414934807 1022777526 /nfs/dbraw/zinc/77/75/26/1022777526.db2.gz AKFQBCSMZHFAMB-WYBRCYBYSA-N 2 1 328.500 3.554 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167982112 1022814944 /nfs/dbraw/zinc/81/49/44/1022814944.db2.gz XJTBIMHNPBAUIM-JUFJKOEGSA-N 2 1 341.499 3.701 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCc1ccccc1 ZINC000414941993 1022933462 /nfs/dbraw/zinc/93/34/62/1022933462.db2.gz DFPQUHAPYGLFTL-VQIMIIECSA-N 2 1 340.467 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414951681 1022992071 /nfs/dbraw/zinc/99/20/71/1022992071.db2.gz PYKQURLIZWULQG-NOZJJQNGSA-N 2 1 340.311 3.954 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000506929143 1023019754 /nfs/dbraw/zinc/01/97/54/1023019754.db2.gz LMHZHDARVWVERP-UHFFFAOYSA-N 2 1 346.515 3.792 20 0 EHADMP CCC[NH+]1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000438828813 1023045851 /nfs/dbraw/zinc/04/58/51/1023045851.db2.gz IHROESNRXWLQCU-UHFFFAOYSA-N 2 1 343.559 3.894 20 0 EHADMP CCCN1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000438828813 1023045855 /nfs/dbraw/zinc/04/58/55/1023045855.db2.gz IHROESNRXWLQCU-UHFFFAOYSA-N 2 1 343.559 3.894 20 0 EHADMP CCCN1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000438828813 1023045865 /nfs/dbraw/zinc/04/58/65/1023045865.db2.gz IHROESNRXWLQCU-UHFFFAOYSA-N 2 1 343.559 3.894 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268746 1023178266 /nfs/dbraw/zinc/17/82/66/1023178266.db2.gz WBHKFUUAIDNCBM-UVQBRAAOSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268746 1023178270 /nfs/dbraw/zinc/17/82/70/1023178270.db2.gz WBHKFUUAIDNCBM-UVQBRAAOSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268746 1023178275 /nfs/dbraw/zinc/17/82/75/1023178275.db2.gz WBHKFUUAIDNCBM-UVQBRAAOSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268746 1023178279 /nfs/dbraw/zinc/17/82/79/1023178279.db2.gz WBHKFUUAIDNCBM-UVQBRAAOSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268746 1023178281 /nfs/dbraw/zinc/17/82/81/1023178281.db2.gz WBHKFUUAIDNCBM-UVQBRAAOSA-N 2 1 338.442 3.965 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261980361 1023253325 /nfs/dbraw/zinc/25/33/25/1023253325.db2.gz JDFLBUJJCQDODL-UHFFFAOYSA-N 2 1 330.806 3.517 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000132985589 1023298028 /nfs/dbraw/zinc/29/80/28/1023298028.db2.gz FJCQEPVTSHBSOV-JTQLQIEISA-N 2 1 331.685 3.662 20 0 EHADMP CC1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000581985677 1023346906 /nfs/dbraw/zinc/34/69/06/1023346906.db2.gz YZOPGPMIJDEVNQ-TZKKQGAMSA-N 2 1 330.516 3.964 20 0 EHADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000093337009 1023475514 /nfs/dbraw/zinc/47/55/14/1023475514.db2.gz OYHWDHMFEZFAHN-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000093337009 1023475524 /nfs/dbraw/zinc/47/55/24/1023475524.db2.gz OYHWDHMFEZFAHN-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000093337009 1023475533 /nfs/dbraw/zinc/47/55/33/1023475533.db2.gz OYHWDHMFEZFAHN-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000093337009 1023475539 /nfs/dbraw/zinc/47/55/39/1023475539.db2.gz OYHWDHMFEZFAHN-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000277085424 1023754356 /nfs/dbraw/zinc/75/43/56/1023754356.db2.gz FPQISMAIUXWTHN-SFHVURJKSA-N 2 1 339.483 3.585 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)CO1 ZINC000897773122 1033160290 /nfs/dbraw/zinc/16/02/90/1033160290.db2.gz GOWHRVMHVTWCFN-NLJWPOBXSA-N 2 1 340.511 3.587 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245722805 1123936973 /nfs/dbraw/zinc/93/69/73/1123936973.db2.gz ICWPFWZKYYTJLM-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245722805 1123936974 /nfs/dbraw/zinc/93/69/74/1123936974.db2.gz ICWPFWZKYYTJLM-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925136979 1024081717 /nfs/dbraw/zinc/08/17/17/1024081717.db2.gz SHUZYGACJJROKJ-GPMSIDNRSA-N 2 1 329.513 3.747 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925136979 1024081737 /nfs/dbraw/zinc/08/17/37/1024081737.db2.gz SHUZYGACJJROKJ-GPMSIDNRSA-N 2 1 329.513 3.747 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCS1 ZINC000897796911 1033181467 /nfs/dbraw/zinc/18/14/67/1033181467.db2.gz AIOFEEUGKVMNOU-LJQANCHMSA-N 2 1 332.557 3.957 20 0 EHADMP COCCOc1ccc(CNC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414847082 1024141931 /nfs/dbraw/zinc/14/19/31/1024141931.db2.gz OAIDBTUDERSWPE-NRFANRHFSA-N 2 1 342.483 3.625 20 0 EHADMP CC[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000507783967 1024234439 /nfs/dbraw/zinc/23/44/39/1024234439.db2.gz PGIXDBMZACXSRP-NJDAHSKKSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000507783967 1024234458 /nfs/dbraw/zinc/23/44/58/1024234458.db2.gz PGIXDBMZACXSRP-NJDAHSKKSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000507783967 1024234479 /nfs/dbraw/zinc/23/44/79/1024234479.db2.gz PGIXDBMZACXSRP-NJDAHSKKSA-N 2 1 330.516 3.646 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)sc1C ZINC000894303211 1024520926 /nfs/dbraw/zinc/52/09/26/1024520926.db2.gz ZGIUZESAMSVHCD-UHFFFAOYSA-N 2 1 345.512 3.523 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000391808642 1024549787 /nfs/dbraw/zinc/54/97/87/1024549787.db2.gz XULSKYSGZGRLFL-AEGPPILISA-N 2 1 328.378 3.578 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000505592244 1024564894 /nfs/dbraw/zinc/56/48/94/1024564894.db2.gz XBTLDHRFFISGMF-UHFFFAOYSA-N 2 1 341.474 3.600 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000342273634 1024680939 /nfs/dbraw/zinc/68/09/39/1024680939.db2.gz GQCXFTQCXWZLDK-WCQYABFASA-N 2 1 335.439 3.663 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000342273628 1024681495 /nfs/dbraw/zinc/68/14/95/1024681495.db2.gz GQCXFTQCXWZLDK-AAEUAGOBSA-N 2 1 335.439 3.663 20 0 EHADMP C[C@@H]1CC(NCc2[nH+]cn3ccccc23)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032315 1024693791 /nfs/dbraw/zinc/69/37/91/1024693791.db2.gz HOUYYOXGWZPXAU-QZTJIDSGSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931062 1033229550 /nfs/dbraw/zinc/22/95/50/1033229550.db2.gz VIUIBPIGVZDUME-SPUZQDLCSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931062 1033229559 /nfs/dbraw/zinc/22/95/59/1033229559.db2.gz VIUIBPIGVZDUME-SPUZQDLCSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931062 1033229566 /nfs/dbraw/zinc/22/95/66/1033229566.db2.gz VIUIBPIGVZDUME-SPUZQDLCSA-N 2 1 327.497 3.847 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895670405 1024717659 /nfs/dbraw/zinc/71/76/59/1024717659.db2.gz GTCLLUNPCMENIS-OBGWFSINSA-N 2 1 328.500 3.797 20 0 EHADMP CC(C)(C)[NH+]1CCC(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000427854535 1024830418 /nfs/dbraw/zinc/83/04/18/1024830418.db2.gz QMLZONNJMXYQOA-QFIPXVFZSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375843 1024843445 /nfs/dbraw/zinc/84/34/45/1024843445.db2.gz XCNXZWFURSRKFT-STQMWFEESA-N 2 1 327.453 3.725 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375843 1024843461 /nfs/dbraw/zinc/84/34/61/1024843461.db2.gz XCNXZWFURSRKFT-STQMWFEESA-N 2 1 327.453 3.725 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000435379530 1024859408 /nfs/dbraw/zinc/85/94/08/1024859408.db2.gz JKSPTMAICJHYSR-LJQANCHMSA-N 2 1 327.472 3.562 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000435379530 1024859423 /nfs/dbraw/zinc/85/94/23/1024859423.db2.gz JKSPTMAICJHYSR-LJQANCHMSA-N 2 1 327.472 3.562 20 0 EHADMP CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435382333 1024866175 /nfs/dbraw/zinc/86/61/75/1024866175.db2.gz YWZZWOGJFAEPCD-HXUWFJFHSA-N 2 1 339.483 3.625 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCCC1 ZINC000665249678 1024887465 /nfs/dbraw/zinc/88/74/65/1024887465.db2.gz WREHGMKUMBTYMC-CQSZACIVSA-N 2 1 339.277 3.524 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281349046 1024924294 /nfs/dbraw/zinc/92/42/94/1024924294.db2.gz VEAMXGMLCIZNMT-IPELMVKDSA-N 2 1 326.488 3.847 20 0 EHADMP CCc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435441098 1024928612 /nfs/dbraw/zinc/92/86/12/1024928612.db2.gz CZSRNPBLVZGVFV-SFHVURJKSA-N 2 1 341.524 3.850 20 0 EHADMP CCc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435441098 1024928620 /nfs/dbraw/zinc/92/86/20/1024928620.db2.gz CZSRNPBLVZGVFV-SFHVURJKSA-N 2 1 341.524 3.850 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034811 1024941367 /nfs/dbraw/zinc/94/13/67/1024941367.db2.gz ORMQZROMEUEYIS-LKUPVBHCSA-N 2 1 349.478 3.684 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034811 1024941376 /nfs/dbraw/zinc/94/13/76/1024941376.db2.gz ORMQZROMEUEYIS-LKUPVBHCSA-N 2 1 349.478 3.684 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)c3cnc(C)cn3)C2)s1 ZINC000563217406 1024952855 /nfs/dbraw/zinc/95/28/55/1024952855.db2.gz OSLDBWUZDNWWGP-IRXDYDNUSA-N 2 1 344.528 3.670 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[nH]c1C ZINC000657310978 1024955321 /nfs/dbraw/zinc/95/53/21/1024955321.db2.gz UPEOJXGOAYFSQG-HNNXBMFYSA-N 2 1 326.488 3.691 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[nH]c1C ZINC000657310978 1024955333 /nfs/dbraw/zinc/95/53/33/1024955333.db2.gz UPEOJXGOAYFSQG-HNNXBMFYSA-N 2 1 326.488 3.691 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657311953 1024993831 /nfs/dbraw/zinc/99/38/31/1024993831.db2.gz AARGGIDJINETHO-ZWKOTPCHSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000657311953 1024993843 /nfs/dbraw/zinc/99/38/43/1024993843.db2.gz AARGGIDJINETHO-ZWKOTPCHSA-N 2 1 327.497 3.835 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000474474707 1025025649 /nfs/dbraw/zinc/02/56/49/1025025649.db2.gz HOLMEFWKGGIAKR-UHFFFAOYSA-N 2 1 346.515 3.610 20 0 EHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C)cc1OC ZINC000474474988 1025027891 /nfs/dbraw/zinc/02/78/91/1025027891.db2.gz SXAIUYJKCMQBTE-DLBZAZTESA-N 2 1 336.520 3.904 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665282988 1025302569 /nfs/dbraw/zinc/30/25/69/1025302569.db2.gz FSLKIHKNSRGOSQ-BZUAXINKSA-N 2 1 342.405 3.828 20 0 EHADMP CCc1ccc(CC[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000436057539 1025337185 /nfs/dbraw/zinc/33/71/85/1025337185.db2.gz YGDDHBRMVGJBNL-IBGZPJMESA-N 2 1 343.540 3.668 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000285468681 1025366492 /nfs/dbraw/zinc/36/64/92/1025366492.db2.gz AQSTVUKNZRMVRI-LZBANZJXSA-N 2 1 338.495 3.753 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425501430 1025510853 /nfs/dbraw/zinc/51/08/53/1025510853.db2.gz FUZPCGVMERIYNA-INIZCTEOSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001207282622 1025611803 /nfs/dbraw/zinc/61/18/03/1025611803.db2.gz MKQZWULDPYXZKK-OAHLLOKOSA-N 2 1 339.321 3.826 20 0 EHADMP CCO[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050775 1025624320 /nfs/dbraw/zinc/62/43/20/1025624320.db2.gz CTEOQHZVRXYWBV-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CCO[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050775 1025624330 /nfs/dbraw/zinc/62/43/30/1025624330.db2.gz CTEOQHZVRXYWBV-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CN1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC000436396413 1025674572 /nfs/dbraw/zinc/67/45/72/1025674572.db2.gz XKIZDYPANGDGHJ-HXUWFJFHSA-N 2 1 349.522 3.549 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000443100500 1025728930 /nfs/dbraw/zinc/72/89/30/1025728930.db2.gz ABLGYJJHUZAMEF-LRDDRELGSA-N 2 1 344.396 3.806 20 0 EHADMP C[C@H]1C[C@@H](NCc2c(Cl)cc(Cl)cc2N(C)C)CC[N@H+]1C ZINC000515925222 1025744906 /nfs/dbraw/zinc/74/49/06/1025744906.db2.gz WHAYCWABLLSXSK-AAEUAGOBSA-N 2 1 330.303 3.632 20 0 EHADMP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407393 1025782062 /nfs/dbraw/zinc/78/20/62/1025782062.db2.gz WUGPKIDBJATZFG-VGOKWCNXSA-N 2 1 327.472 3.528 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000474948160 1025929874 /nfs/dbraw/zinc/92/98/74/1025929874.db2.gz ZLFWTSVXOXPBMT-BAGYTPMASA-N 2 1 335.495 3.780 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639274544 1026006177 /nfs/dbraw/zinc/00/61/77/1026006177.db2.gz DFZSWHOBYSASOU-ZSXPUABSSA-N 2 1 328.500 3.902 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639274544 1026006194 /nfs/dbraw/zinc/00/61/94/1026006194.db2.gz DFZSWHOBYSASOU-ZSXPUABSSA-N 2 1 328.500 3.902 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OC ZINC000475124358 1026218250 /nfs/dbraw/zinc/21/82/50/1026218250.db2.gz IDMJTCRGDHGIDZ-UHFFFAOYSA-N 2 1 346.515 3.934 20 0 EHADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120850 1026220244 /nfs/dbraw/zinc/22/02/44/1026220244.db2.gz DYBAPDLLPRBABD-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120850 1026220258 /nfs/dbraw/zinc/22/02/58/1026220258.db2.gz DYBAPDLLPRBABD-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120850 1026220270 /nfs/dbraw/zinc/22/02/70/1026220270.db2.gz DYBAPDLLPRBABD-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120850 1026220278 /nfs/dbraw/zinc/22/02/78/1026220278.db2.gz DYBAPDLLPRBABD-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120850 1026220292 /nfs/dbraw/zinc/22/02/92/1026220292.db2.gz DYBAPDLLPRBABD-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000530701397 1026229639 /nfs/dbraw/zinc/22/96/39/1026229639.db2.gz VJZXATAZSYGIJN-FMNOIEFDSA-N 2 1 342.527 3.911 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122632 1026492358 /nfs/dbraw/zinc/49/23/58/1026492358.db2.gz VFYQKNSVGRKVEY-QGZVFWFLSA-N 2 1 349.485 3.598 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000182665804 1026574643 /nfs/dbraw/zinc/57/46/43/1026574643.db2.gz UJXVYIXSQPRUET-SJORKVTESA-N 2 1 346.515 3.922 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCO3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064620 1026607208 /nfs/dbraw/zinc/60/72/08/1026607208.db2.gz QUMSLEFMLNUDAL-YHELAOLJSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000531143621 1026626812 /nfs/dbraw/zinc/62/68/12/1026626812.db2.gz BBINMXCDKSCVSB-HOCLYGCPSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000531143621 1026626816 /nfs/dbraw/zinc/62/68/16/1026626816.db2.gz BBINMXCDKSCVSB-HOCLYGCPSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143621 1026626821 /nfs/dbraw/zinc/62/68/21/1026626821.db2.gz BBINMXCDKSCVSB-HOCLYGCPSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143621 1026626829 /nfs/dbraw/zinc/62/68/29/1026626829.db2.gz BBINMXCDKSCVSB-HOCLYGCPSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1OC ZINC000531191647 1026664808 /nfs/dbraw/zinc/66/48/08/1026664808.db2.gz QDNWRJNFDIPAJJ-ZWKOTPCHSA-N 2 1 334.504 3.694 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000193049608 1026702084 /nfs/dbraw/zinc/70/20/84/1026702084.db2.gz ATOLXFRBLVOGOF-UMQXSMKFSA-N 2 1 328.500 3.729 20 0 EHADMP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301565464 1026855934 /nfs/dbraw/zinc/85/59/34/1026855934.db2.gz VLULCCNYFXPYPX-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301565464 1026855944 /nfs/dbraw/zinc/85/59/44/1026855944.db2.gz VLULCCNYFXPYPX-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP CCCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000531493581 1026971249 /nfs/dbraw/zinc/97/12/49/1026971249.db2.gz QTORNGWRPOYAOU-UHFFFAOYSA-N 2 1 347.547 3.750 20 0 EHADMP CCCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000531493581 1026971262 /nfs/dbraw/zinc/97/12/62/1026971262.db2.gz QTORNGWRPOYAOU-UHFFFAOYSA-N 2 1 347.547 3.750 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000272826619 1027135927 /nfs/dbraw/zinc/13/59/27/1027135927.db2.gz DNFRDTYNXAMNPH-SJKOYZFVSA-N 2 1 345.314 3.878 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CCOCC1 ZINC000531700050 1027221669 /nfs/dbraw/zinc/22/16/69/1027221669.db2.gz SSKPKLJNZFYJQC-NRFANRHFSA-N 2 1 330.516 3.754 20 0 EHADMP Cc1ncc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126814155 1027244812 /nfs/dbraw/zinc/24/48/12/1027244812.db2.gz DZMVBAGYHACXKR-WMLDXEAASA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)n1 ZINC000126814155 1027244830 /nfs/dbraw/zinc/24/48/30/1027244830.db2.gz DZMVBAGYHACXKR-WMLDXEAASA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126814155 1027244847 /nfs/dbraw/zinc/24/48/47/1027244847.db2.gz DZMVBAGYHACXKR-WMLDXEAASA-N 2 1 344.528 3.718 20 0 EHADMP COc1c(F)cc(F)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143557988 1027288812 /nfs/dbraw/zinc/28/88/12/1027288812.db2.gz SJZALKPNWSOCDD-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453058030 1027304724 /nfs/dbraw/zinc/30/47/24/1027304724.db2.gz IOJAZKQDCMIEMA-MOPGFXCFSA-N 2 1 347.890 3.615 20 0 EHADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453096559 1027360298 /nfs/dbraw/zinc/36/02/98/1027360298.db2.gz UBDXIZZGGXZVQT-BHDDXSALSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453138810 1027447343 /nfs/dbraw/zinc/44/73/43/1027447343.db2.gz DTOHYTPCGMEYAQ-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC[C@H]1CCC[NH2+]C1 ZINC000420311969 1027459682 /nfs/dbraw/zinc/45/96/82/1027459682.db2.gz WOAOBIGBSYVHTJ-QGZVFWFLSA-N 2 1 327.472 3.596 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCSCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453160514 1027472780 /nfs/dbraw/zinc/47/27/80/1027472780.db2.gz OZCSQXJQCMVZQW-HSALFYBXSA-N 2 1 330.541 3.915 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324183 1027479182 /nfs/dbraw/zinc/47/91/82/1027479182.db2.gz GXHYOWOZEYJKPE-STQMWFEESA-N 2 1 343.298 3.742 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324183 1027479188 /nfs/dbraw/zinc/47/91/88/1027479188.db2.gz GXHYOWOZEYJKPE-STQMWFEESA-N 2 1 343.298 3.742 20 0 EHADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420356999 1027488350 /nfs/dbraw/zinc/48/83/50/1027488350.db2.gz HIOMFSYBWIBLAF-QWHCGFSZSA-N 2 1 347.450 3.731 20 0 EHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000420390740 1027508318 /nfs/dbraw/zinc/50/83/18/1027508318.db2.gz ZSVNMQLCPQTFOO-QZTJIDSGSA-N 2 1 349.544 3.519 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc2)cc1 ZINC000414659453 1027731587 /nfs/dbraw/zinc/73/15/87/1027731587.db2.gz NAHBMTVPTIMAHN-QRWLVFNGSA-N 2 1 326.440 3.657 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985561 1027776183 /nfs/dbraw/zinc/77/61/83/1027776183.db2.gz KKURWXOPCBIGOE-LJQANCHMSA-N 2 1 344.499 3.507 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985561 1027776202 /nfs/dbraw/zinc/77/62/02/1027776202.db2.gz KKURWXOPCBIGOE-LJQANCHMSA-N 2 1 344.499 3.507 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414667342 1027779426 /nfs/dbraw/zinc/77/94/26/1027779426.db2.gz YIXYMMIEZTYJDX-CZBMUTHLSA-N 2 1 336.479 3.948 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000414672391 1027801898 /nfs/dbraw/zinc/80/18/98/1027801898.db2.gz PAZUGHCYDLPDJS-SESVDKBCSA-N 2 1 336.479 3.921 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422633008 1027831434 /nfs/dbraw/zinc/83/14/34/1027831434.db2.gz HRPGYHAMUBMULJ-KRWDZBQOSA-N 2 1 349.478 3.828 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414685648 1027887290 /nfs/dbraw/zinc/88/72/90/1027887290.db2.gz DCMPTHMFICPZSX-QFBILLFUSA-N 2 1 340.515 3.617 20 0 EHADMP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CC1)c1c[nH+]ccc1N ZINC000422749250 1027917175 /nfs/dbraw/zinc/91/71/75/1027917175.db2.gz YEXZOUGBQUWWTL-GFCCVEGCSA-N 2 1 346.272 3.639 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)CC[NH2+]1 ZINC000666701966 1027940912 /nfs/dbraw/zinc/94/09/12/1027940912.db2.gz QUASHLYMVNZXNE-CPUCHLNUSA-N 2 1 337.305 3.974 20 0 EHADMP CC[C@H]([NH2+]CCc1ccc(-c2csc(C)n2)s1)[C@@H]1CCC[NH2+]1 ZINC000422798562 1027951335 /nfs/dbraw/zinc/95/13/35/1027951335.db2.gz RTFFKPICGZKFIH-GJZGRUSLSA-N 2 1 335.542 3.843 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000444589938 1028050085 /nfs/dbraw/zinc/05/00/85/1028050085.db2.gz AGRHWRZBTJPXGV-HXUWFJFHSA-N 2 1 330.516 3.826 20 0 EHADMP Cc1sc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422942220 1028070319 /nfs/dbraw/zinc/07/03/19/1028070319.db2.gz JCGBZSKCXOJOAI-HIFRSBDPSA-N 2 1 335.904 3.989 20 0 EHADMP CC1CC[NH+](C2CCC(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)CC1 ZINC000422967364 1028079212 /nfs/dbraw/zinc/07/92/12/1028079212.db2.gz PBKDWVYVZYBGFX-XRUXWCASSA-N 2 1 327.516 3.764 20 0 EHADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)CC1 ZINC000422967364 1028079225 /nfs/dbraw/zinc/07/92/25/1028079225.db2.gz PBKDWVYVZYBGFX-XRUXWCASSA-N 2 1 327.516 3.764 20 0 EHADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)cn1 ZINC000422968596 1028081829 /nfs/dbraw/zinc/08/18/29/1028081829.db2.gz XGJPEGUWOUYZIC-VXKWHMMOSA-N 2 1 346.478 3.670 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC000502289374 1028090479 /nfs/dbraw/zinc/09/04/79/1028090479.db2.gz WTAMAQIQTPSUFD-KRWDZBQOSA-N 2 1 348.531 3.797 20 0 EHADMP C[C@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422982353 1028108181 /nfs/dbraw/zinc/10/81/81/1028108181.db2.gz QRBHKEZDVMDKSI-YWZLYKJASA-N 2 1 325.456 3.629 20 0 EHADMP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422994583 1028111217 /nfs/dbraw/zinc/11/12/17/1028111217.db2.gz VSIYKFGOLVDLTE-ZLVKKYOXSA-N 2 1 342.527 3.634 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423030108 1028139752 /nfs/dbraw/zinc/13/97/52/1028139752.db2.gz JAZQVTFXGCBQKW-QFBILLFUSA-N 2 1 326.488 3.581 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CC3 ZINC000423040133 1028146930 /nfs/dbraw/zinc/14/69/30/1028146930.db2.gz GOVXOMAWQPQGMA-XAEMIUIASA-N 2 1 347.506 3.882 20 0 EHADMP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000502366554 1028146905 /nfs/dbraw/zinc/14/69/05/1028146905.db2.gz AWWKYRBQPANSDS-QHAWAJNXSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1c[nH+]ccc1N ZINC000423066921 1028158092 /nfs/dbraw/zinc/15/80/92/1028158092.db2.gz YCGOKZDMMWWPFX-GFCCVEGCSA-N 2 1 328.847 3.533 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000246296490 1028173552 /nfs/dbraw/zinc/17/35/52/1028173552.db2.gz PIDKJXDTSCBIJG-HLIPFELVSA-N 2 1 327.472 3.822 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000246296490 1028173555 /nfs/dbraw/zinc/17/35/55/1028173555.db2.gz PIDKJXDTSCBIJG-HLIPFELVSA-N 2 1 327.472 3.822 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1C(C)(C)C ZINC000533639451 1028212914 /nfs/dbraw/zinc/21/29/14/1028212914.db2.gz FLBSHRUOCMEJHV-QZTJIDSGSA-N 2 1 332.532 3.872 20 0 EHADMP CC(C)CCn1nc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c2ccccc21 ZINC000423153921 1028215607 /nfs/dbraw/zinc/21/56/07/1028215607.db2.gz ODGGGNHYSTXSTM-SJLPKXTDSA-N 2 1 328.504 3.560 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000423182813 1028229953 /nfs/dbraw/zinc/22/99/53/1028229953.db2.gz FPCKOGAHBSZFEU-AWEZNQCLSA-N 2 1 335.398 3.514 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cnc2ccsc2c1 ZINC000423185630 1028231420 /nfs/dbraw/zinc/23/14/20/1028231420.db2.gz JVPCHUKDVFPHRE-AWEZNQCLSA-N 2 1 326.469 3.522 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OCC(C)C ZINC000513745792 1028247158 /nfs/dbraw/zinc/24/71/58/1028247158.db2.gz HLEWNSVBZBHMQI-UHFFFAOYSA-N 2 1 348.531 3.894 20 0 EHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423189409 1028257513 /nfs/dbraw/zinc/25/75/13/1028257513.db2.gz QYMWZWFPXFANBM-NUUSQOIHSA-N 2 1 342.527 3.706 20 0 EHADMP Brc1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423188723 1028262312 /nfs/dbraw/zinc/26/23/12/1028262312.db2.gz QEHUEGMSJJQWIN-GOSISDBHSA-N 2 1 345.284 3.880 20 0 EHADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423289567 1028328756 /nfs/dbraw/zinc/32/87/56/1028328756.db2.gz XPKZSSVSIGAFDB-TVQRCGJNSA-N 2 1 329.307 3.559 20 0 EHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(-c2ccccc2)nn1C ZINC000423261335 1028320990 /nfs/dbraw/zinc/32/09/90/1028320990.db2.gz JSBSZPZJNWLCQC-DNVCBOLYSA-N 2 1 326.488 3.645 20 0 EHADMP [NH3+]C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000423269216 1028331786 /nfs/dbraw/zinc/33/17/86/1028331786.db2.gz VQBDHIQBPZDDAE-KJJMTIBFSA-N 2 1 341.543 3.679 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C1CC1 ZINC000423274411 1028337051 /nfs/dbraw/zinc/33/70/51/1028337051.db2.gz KJKNQZFHZCYIGK-GOEBONIOSA-N 2 1 331.460 3.654 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC1 ZINC000423328011 1028365456 /nfs/dbraw/zinc/36/54/56/1028365456.db2.gz NPOOABUVBMWFQP-AWEZNQCLSA-N 2 1 331.460 3.798 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc(F)cc2)cc1 ZINC000423353262 1028382683 /nfs/dbraw/zinc/38/26/83/1028382683.db2.gz BICVTYXSSMOTHH-QUCCMNQESA-N 2 1 328.431 3.655 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414743392 1028434819 /nfs/dbraw/zinc/43/48/19/1028434819.db2.gz IXGCDWHSMAXPEN-JFIYKMOQSA-N 2 1 340.471 3.652 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414743395 1028435620 /nfs/dbraw/zinc/43/56/20/1028435620.db2.gz IXGCDWHSMAXPEN-SOLBZPMBSA-N 2 1 340.471 3.652 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000423506725 1028472398 /nfs/dbraw/zinc/47/23/98/1028472398.db2.gz IQIZXUMNTYLRIE-MEZULJMPSA-N 2 1 341.543 3.677 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000414758121 1028587027 /nfs/dbraw/zinc/58/70/27/1028587027.db2.gz BXZPTSKSDMZQNW-ILHLOOHCSA-N 2 1 348.490 3.964 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000414758121 1028587038 /nfs/dbraw/zinc/58/70/38/1028587038.db2.gz BXZPTSKSDMZQNW-ILHLOOHCSA-N 2 1 348.490 3.964 20 0 EHADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OCC ZINC000246900712 1028711714 /nfs/dbraw/zinc/71/17/14/1028711714.db2.gz RKTHSQCKILWUEF-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCC ZINC000246900712 1028711724 /nfs/dbraw/zinc/71/17/24/1028711724.db2.gz RKTHSQCKILWUEF-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCC ZINC000246900712 1028711741 /nfs/dbraw/zinc/71/17/41/1028711741.db2.gz RKTHSQCKILWUEF-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000246954992 1028719097 /nfs/dbraw/zinc/71/90/97/1028719097.db2.gz IGOJEYPXQZQSDN-IAGOWNOFSA-N 2 1 331.504 3.808 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000246965082 1028721557 /nfs/dbraw/zinc/72/15/57/1028721557.db2.gz JBLSHYQCOXXNEA-QLFBSQMISA-N 2 1 326.431 3.505 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@@H](C)C1 ZINC000247011172 1028727984 /nfs/dbraw/zinc/72/79/84/1028727984.db2.gz LFHNRVHWDLZCFJ-YTQUADARSA-N 2 1 348.556 3.950 20 0 EHADMP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(C(F)(F)F)cc1 ZINC000414768992 1028735084 /nfs/dbraw/zinc/73/50/84/1028735084.db2.gz MVVIUNCPHMVZQT-BMFZPTHFSA-N 2 1 326.406 3.740 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000247253470 1028764758 /nfs/dbraw/zinc/76/47/58/1028764758.db2.gz ZVIOQHIDXAIPCR-QZMQVMSPSA-N 2 1 336.545 3.587 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000924938585 1028772253 /nfs/dbraw/zinc/77/22/53/1028772253.db2.gz LHZDEQCAGRRXPD-XUBOLADHSA-N 2 1 330.541 3.567 20 0 EHADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414772793 1028776622 /nfs/dbraw/zinc/77/66/22/1028776622.db2.gz CLSSMHAGESSJND-HUUCEWRRSA-N 2 1 329.875 3.710 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773090 1028778969 /nfs/dbraw/zinc/77/89/69/1028778969.db2.gz WEESYEGMJXQGME-BGYRXZFFSA-N 2 1 336.479 3.794 20 0 EHADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000424127388 1028822065 /nfs/dbraw/zinc/82/20/65/1028822065.db2.gz CUFHBZPLTQFWMP-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000424127388 1028822082 /nfs/dbraw/zinc/82/20/82/1028822082.db2.gz CUFHBZPLTQFWMP-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cs1 ZINC000248039072 1028842903 /nfs/dbraw/zinc/84/29/03/1028842903.db2.gz SFIDJJLXVXTNGB-JSGCOSHPSA-N 2 1 335.542 3.795 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000248409897 1028896325 /nfs/dbraw/zinc/89/63/25/1028896325.db2.gz XGWPKTBSLCFYLG-DOIPELPJSA-N 2 1 342.527 3.834 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248445521 1028903895 /nfs/dbraw/zinc/90/38/95/1028903895.db2.gz MOUKQMXFHFSGNP-FGZHOGPDSA-N 2 1 338.495 3.884 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)ccc1Br)CC[NH2+]CC2 ZINC000424285532 1028928594 /nfs/dbraw/zinc/92/85/94/1028928594.db2.gz FRMYJJDFIWQIOL-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)cc(Br)c1)CC[NH2+]CC2 ZINC000424287632 1028928749 /nfs/dbraw/zinc/92/87/49/1028928749.db2.gz JFFOINAQWOMYPR-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OCC(C)C ZINC000414781591 1028939313 /nfs/dbraw/zinc/93/93/13/1028939313.db2.gz NFZCLIWDIDBTMB-RBUKOAKNSA-N 2 1 346.515 3.552 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000248722889 1028941772 /nfs/dbraw/zinc/94/17/72/1028941772.db2.gz GUEIGCAIAMYVBJ-OQIJWPOYSA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000248722889 1028941783 /nfs/dbraw/zinc/94/17/83/1028941783.db2.gz GUEIGCAIAMYVBJ-OQIJWPOYSA-N 2 1 346.540 3.507 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC000424271398 1028943682 /nfs/dbraw/zinc/94/36/82/1028943682.db2.gz RUXYUPYRACQUCV-FRTGENFJSA-N 2 1 330.516 3.820 20 0 EHADMP c1sc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781040 1028945676 /nfs/dbraw/zinc/94/56/76/1028945676.db2.gz MJQKNWWUKGIDSH-IRXDYDNUSA-N 2 1 327.497 3.632 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424281361 1028952829 /nfs/dbraw/zinc/95/28/29/1028952829.db2.gz NFBSLTLDPIEIEF-OQKKPVTDSA-N 2 1 342.527 3.690 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)ccc1Br)CC[NH2+]CC2 ZINC000424285257 1028958887 /nfs/dbraw/zinc/95/88/87/1028958887.db2.gz FRMYJJDFIWQIOL-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)C[C@H]2C1 ZINC000424324066 1028971627 /nfs/dbraw/zinc/97/16/27/1028971627.db2.gz WSAFPOPKARZABV-CZLFUSQZSA-N 2 1 348.556 3.924 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)C[C@H]2C1 ZINC000424324066 1028971645 /nfs/dbraw/zinc/97/16/45/1028971645.db2.gz WSAFPOPKARZABV-CZLFUSQZSA-N 2 1 348.556 3.924 20 0 EHADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)sc1Br ZINC000424379777 1029037052 /nfs/dbraw/zinc/03/70/52/1029037052.db2.gz PCUVDLLGTZTGEH-LBPRGKRZSA-N 2 1 343.334 3.783 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)c1cccc(O)c1 ZINC000091974844 1029057531 /nfs/dbraw/zinc/05/75/31/1029057531.db2.gz DGTQYFYCVKDEBL-QGZVFWFLSA-N 2 1 342.483 3.916 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OC1CCCC1 ZINC000459385733 1029151326 /nfs/dbraw/zinc/15/13/26/1029151326.db2.gz AESPRFJNFILVTB-HNNXBMFYSA-N 2 1 343.471 3.643 20 0 EHADMP Fc1ccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000271754876 1029155060 /nfs/dbraw/zinc/15/50/60/1029155060.db2.gz SDFPPMYJXGLFOB-IBGZPJMESA-N 2 1 332.463 3.511 20 0 EHADMP Cc1ccc(OCc2nc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cs2)cc1 ZINC000414800015 1029177830 /nfs/dbraw/zinc/17/78/30/1029177830.db2.gz KLUUXZWEJZSKHM-QAPCUYQASA-N 2 1 345.512 3.638 20 0 EHADMP COc1ccc(Br)c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414808897 1029280408 /nfs/dbraw/zinc/28/04/08/1029280408.db2.gz LHYGLFANJAPEOW-GFCCVEGCSA-N 2 1 349.272 3.767 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414818306 1029365308 /nfs/dbraw/zinc/36/53/08/1029365308.db2.gz VFLCQUCEKJKWNH-INIZCTEOSA-N 2 1 333.501 3.638 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816557 1029367195 /nfs/dbraw/zinc/36/71/95/1029367195.db2.gz PZSRDSDEHGFYQX-KGVIQGDOSA-N 3 1 337.511 3.849 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816557 1029367207 /nfs/dbraw/zinc/36/72/07/1029367207.db2.gz PZSRDSDEHGFYQX-KGVIQGDOSA-N 3 1 337.511 3.849 20 0 EHADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000272310098 1029409567 /nfs/dbraw/zinc/40/95/67/1029409567.db2.gz IRORECDHPHJPQW-GUXCAODWSA-N 2 1 338.499 3.655 20 0 EHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000583257516 1029447648 /nfs/dbraw/zinc/44/76/48/1029447648.db2.gz UCXXYUQKKOMPDL-GCQDIAHQSA-N 2 1 338.451 3.749 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552015 1029449521 /nfs/dbraw/zinc/44/95/21/1029449521.db2.gz LDKAKTWCIGUDKV-FNAHDJPLSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552015 1029449527 /nfs/dbraw/zinc/44/95/27/1029449527.db2.gz LDKAKTWCIGUDKV-FNAHDJPLSA-N 2 1 341.543 3.551 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000261665253 1029473318 /nfs/dbraw/zinc/47/33/18/1029473318.db2.gz IOZYWWROBIKBEQ-OAQYLSRUSA-N 2 1 340.515 3.649 20 0 EHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000261665253 1029473323 /nfs/dbraw/zinc/47/33/23/1029473323.db2.gz IOZYWWROBIKBEQ-OAQYLSRUSA-N 2 1 340.515 3.649 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000162158549 1029484919 /nfs/dbraw/zinc/48/49/19/1029484919.db2.gz JAHGGYCSZHCWPR-LJQANCHMSA-N 2 1 330.516 3.895 20 0 EHADMP Clc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000524758632 1029489951 /nfs/dbraw/zinc/48/99/51/1029489951.db2.gz JOSBSLJDLJYCHW-QGZVFWFLSA-N 2 1 336.907 3.917 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000261887555 1029524044 /nfs/dbraw/zinc/52/40/44/1029524044.db2.gz VFWVNWVIWMGKEI-NRFANRHFSA-N 2 1 340.467 3.542 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000262002272 1029548036 /nfs/dbraw/zinc/54/80/36/1029548036.db2.gz UFUDKJYDRMAAMC-HNNXBMFYSA-N 2 1 344.421 3.676 20 0 EHADMP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@@H]1CCC[NH+](C)C1 ZINC000533295201 1029588780 /nfs/dbraw/zinc/58/87/80/1029588780.db2.gz YFOTWMDYXSEQEZ-GOSISDBHSA-N 2 1 348.494 3.775 20 0 EHADMP C[NH+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@@H]1CCC[N@H+](C)C1 ZINC000533295201 1029588784 /nfs/dbraw/zinc/58/87/84/1029588784.db2.gz YFOTWMDYXSEQEZ-GOSISDBHSA-N 2 1 348.494 3.775 20 0 EHADMP C[NH+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533295201 1029588787 /nfs/dbraw/zinc/58/87/87/1029588787.db2.gz YFOTWMDYXSEQEZ-GOSISDBHSA-N 2 1 348.494 3.775 20 0 EHADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703438 1029759580 /nfs/dbraw/zinc/75/95/80/1029759580.db2.gz YDRBMWLMLUTAMT-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](NCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703438 1029759584 /nfs/dbraw/zinc/75/95/84/1029759584.db2.gz YDRBMWLMLUTAMT-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](NCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703438 1029759587 /nfs/dbraw/zinc/75/95/87/1029759587.db2.gz YDRBMWLMLUTAMT-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000508709424 1029771185 /nfs/dbraw/zinc/77/11/85/1029771185.db2.gz LDFWBKKEQZGJOW-BIRYMOPTSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000508709424 1029771190 /nfs/dbraw/zinc/77/11/90/1029771190.db2.gz LDFWBKKEQZGJOW-BIRYMOPTSA-N 2 1 328.500 3.654 20 0 EHADMP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708525 1029771469 /nfs/dbraw/zinc/77/14/69/1029771469.db2.gz BXLGJSIBBRXURV-VLCRHTCISA-N 2 1 344.543 3.818 20 0 EHADMP COc1ccccc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718660 1029792205 /nfs/dbraw/zinc/79/22/05/1029792205.db2.gz OCBTWJDBDAKGPL-WIYYLYMNSA-N 2 1 338.495 3.738 20 0 EHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000446839053 1029807489 /nfs/dbraw/zinc/80/74/89/1029807489.db2.gz OSLLFDSEJIJHGF-SFTDATJTSA-N 2 1 332.532 3.938 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1(C)C ZINC000623379362 1029840518 /nfs/dbraw/zinc/84/05/18/1029840518.db2.gz LWXJBXHVSAGNHC-DOTOQJQBSA-N 2 1 335.923 3.629 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000525484682 1029865084 /nfs/dbraw/zinc/86/50/84/1029865084.db2.gz KFPLOOFTCCJPEZ-KURKYZTESA-N 2 1 343.515 3.872 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000525484682 1029865087 /nfs/dbraw/zinc/86/50/87/1029865087.db2.gz KFPLOOFTCCJPEZ-KURKYZTESA-N 2 1 343.515 3.872 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000525484682 1029865091 /nfs/dbraw/zinc/86/50/91/1029865091.db2.gz KFPLOOFTCCJPEZ-KURKYZTESA-N 2 1 343.515 3.872 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453212923 1029920561 /nfs/dbraw/zinc/92/05/61/1029920561.db2.gz LVUAWXPEOJSJSG-KZNAEPCWSA-N 2 1 338.442 3.649 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000089615222 1029952283 /nfs/dbraw/zinc/95/22/83/1029952283.db2.gz XSDKGYSGCSYYQM-HZPDHXFCSA-N 2 1 348.450 3.859 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000120636469 1030053476 /nfs/dbraw/zinc/05/34/76/1030053476.db2.gz YCUJZMPORSGYPN-JSGCOSHPSA-N 2 1 331.287 3.835 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H]1CC[NH3+] ZINC000650711964 1030066890 /nfs/dbraw/zinc/06/68/90/1030066890.db2.gz LBZUCXFHDDPARM-UTKZUKDTSA-N 2 1 339.483 3.610 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964033 1030149340 /nfs/dbraw/zinc/14/93/40/1030149340.db2.gz MIAMXQJQKGQIII-MDZRGWNJSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964033 1030149349 /nfs/dbraw/zinc/14/93/49/1030149349.db2.gz MIAMXQJQKGQIII-MDZRGWNJSA-N 2 1 331.504 3.611 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1 ZINC000090810212 1030186306 /nfs/dbraw/zinc/18/63/06/1030186306.db2.gz YETOFMYLTFQZPU-KXBFYZLASA-N 2 1 329.488 3.874 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2C(F)(F)F)C1 ZINC000650721906 1030205355 /nfs/dbraw/zinc/20/53/55/1030205355.db2.gz FPQSBMKEBOBVNV-DJIMGWMZSA-N 2 1 342.405 3.566 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)C1CC1 ZINC000453412652 1030224146 /nfs/dbraw/zinc/22/41/46/1030224146.db2.gz WGCHZUPMRQOWPR-JXFKEZNVSA-N 2 1 334.479 3.757 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453413754 1030227026 /nfs/dbraw/zinc/22/70/26/1030227026.db2.gz JEYOBUSBIBGQRA-BURNTYAHSA-N 2 1 342.527 3.977 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000453394797 1030244467 /nfs/dbraw/zinc/24/44/67/1030244467.db2.gz HDRRFMRRKOYMSP-MMVMTREESA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000453394797 1030244487 /nfs/dbraw/zinc/24/44/87/1030244487.db2.gz HDRRFMRRKOYMSP-MMVMTREESA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000453394797 1030244505 /nfs/dbraw/zinc/24/45/05/1030244505.db2.gz HDRRFMRRKOYMSP-MMVMTREESA-N 3 1 341.543 3.646 20 0 EHADMP C[N@H+](CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000453394797 1030244526 /nfs/dbraw/zinc/24/45/26/1030244526.db2.gz HDRRFMRRKOYMSP-MMVMTREESA-N 2 1 341.543 3.646 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000453394797 1030244539 /nfs/dbraw/zinc/24/45/39/1030244539.db2.gz HDRRFMRRKOYMSP-MMVMTREESA-N 2 1 341.543 3.646 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000453588992 1030379115 /nfs/dbraw/zinc/37/91/15/1030379115.db2.gz DTVKJPUFQRAPQC-UHFFFAOYSA-N 2 1 343.334 3.879 20 0 EHADMP Cc1cc(Br)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000453588992 1030379136 /nfs/dbraw/zinc/37/91/36/1030379136.db2.gz DTVKJPUFQRAPQC-UHFFFAOYSA-N 2 1 343.334 3.879 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000151100510 1030433999 /nfs/dbraw/zinc/43/39/99/1030433999.db2.gz IDVWYALFNKBTTO-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000093638768 1030643305 /nfs/dbraw/zinc/64/33/05/1030643305.db2.gz YGDMCHNUPBECJQ-SJLPKXTDSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000093638768 1030643313 /nfs/dbraw/zinc/64/33/13/1030643313.db2.gz YGDMCHNUPBECJQ-SJLPKXTDSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000093638768 1030643319 /nfs/dbraw/zinc/64/33/19/1030643319.db2.gz YGDMCHNUPBECJQ-SJLPKXTDSA-N 2 1 334.504 3.645 20 0 EHADMP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000093734977 1030669839 /nfs/dbraw/zinc/66/98/39/1030669839.db2.gz FXNKCIIQSGHTSD-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(C(F)(F)F)c1 ZINC001168352724 1030776756 /nfs/dbraw/zinc/77/67/56/1030776756.db2.gz BEFWUNDDYAVAHD-UHFFFAOYSA-N 2 1 330.369 3.809 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2ccncc2s1 ZINC000668169618 1030836497 /nfs/dbraw/zinc/83/64/97/1030836497.db2.gz WCCGRADGOMSTAR-UHFFFAOYSA-N 2 1 328.485 3.967 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2ccncc2s1 ZINC000668169618 1030836518 /nfs/dbraw/zinc/83/65/18/1030836518.db2.gz WCCGRADGOMSTAR-UHFFFAOYSA-N 2 1 328.485 3.967 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000551008705 1030883003 /nfs/dbraw/zinc/88/30/03/1030883003.db2.gz ZAHZKDJDIHUIOC-CEMLEFRQSA-N 2 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008705 1030883017 /nfs/dbraw/zinc/88/30/17/1030883017.db2.gz ZAHZKDJDIHUIOC-CEMLEFRQSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008705 1030883034 /nfs/dbraw/zinc/88/30/34/1030883034.db2.gz ZAHZKDJDIHUIOC-CEMLEFRQSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008705 1030883044 /nfs/dbraw/zinc/88/30/44/1030883044.db2.gz ZAHZKDJDIHUIOC-CEMLEFRQSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008705 1030883059 /nfs/dbraw/zinc/88/30/59/1030883059.db2.gz ZAHZKDJDIHUIOC-CEMLEFRQSA-N 3 1 343.559 3.924 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccnc4ccccc34)C2)cc1 ZINC000394143556 1030913960 /nfs/dbraw/zinc/91/39/60/1030913960.db2.gz XZWFYHABUXARPI-LJQANCHMSA-N 2 1 331.463 3.847 20 0 EHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000347832109 1030946725 /nfs/dbraw/zinc/94/67/25/1030946725.db2.gz SMPQXPSZDVTNDQ-VXKWHMMOSA-N 2 1 338.495 3.973 20 0 EHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000347832109 1030946741 /nfs/dbraw/zinc/94/67/41/1030946741.db2.gz SMPQXPSZDVTNDQ-VXKWHMMOSA-N 2 1 338.495 3.973 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000483203671 1031026653 /nfs/dbraw/zinc/02/66/53/1031026653.db2.gz QICSBEAHYVVQGD-UGKGYDQZSA-N 2 1 337.511 3.989 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000483203671 1031026669 /nfs/dbraw/zinc/02/66/69/1031026669.db2.gz QICSBEAHYVVQGD-UGKGYDQZSA-N 2 1 337.511 3.989 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC4CCCC4)c3)CC[C@@H]21 ZINC000537698325 1031139473 /nfs/dbraw/zinc/13/94/73/1031139473.db2.gz WGKQNWKPPATMNE-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CC[C@@H]21 ZINC000537698325 1031139483 /nfs/dbraw/zinc/13/94/83/1031139483.db2.gz WGKQNWKPPATMNE-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CC[C@@H]21 ZINC000537698325 1031139492 /nfs/dbraw/zinc/13/94/92/1031139492.db2.gz WGKQNWKPPATMNE-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810930 1031247856 /nfs/dbraw/zinc/24/78/56/1031247856.db2.gz QCNIJIYTMORAJS-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810930 1031247873 /nfs/dbraw/zinc/24/78/73/1031247873.db2.gz QCNIJIYTMORAJS-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810930 1031247879 /nfs/dbraw/zinc/24/78/79/1031247879.db2.gz QCNIJIYTMORAJS-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803210 1031274719 /nfs/dbraw/zinc/27/47/19/1031274719.db2.gz DIEMSMNETAQZKK-JEIKXUOUSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803210 1031274730 /nfs/dbraw/zinc/27/47/30/1031274730.db2.gz DIEMSMNETAQZKK-JEIKXUOUSA-N 2 1 328.500 3.585 20 0 EHADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854355 1031379277 /nfs/dbraw/zinc/37/92/77/1031379277.db2.gz CCDQPEAYFLHBAP-RBBKRZOGSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854355 1031379299 /nfs/dbraw/zinc/37/92/99/1031379299.db2.gz CCDQPEAYFLHBAP-RBBKRZOGSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854355 1031379315 /nfs/dbraw/zinc/37/93/15/1031379315.db2.gz CCDQPEAYFLHBAP-RBBKRZOGSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854355 1031379330 /nfs/dbraw/zinc/37/93/30/1031379330.db2.gz CCDQPEAYFLHBAP-RBBKRZOGSA-N 2 1 345.575 3.996 20 0 EHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527876467 1031405475 /nfs/dbraw/zinc/40/54/75/1031405475.db2.gz OLXCITDNMXVMQY-JTQLQIEISA-N 2 1 345.231 3.640 20 0 EHADMP COc1ccc([C@H](C)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527949568 1031479976 /nfs/dbraw/zinc/47/99/76/1031479976.db2.gz OFXYOYFBCHSTDU-MAUKXSAKSA-N 2 1 332.488 3.761 20 0 EHADMP COc1ccc([C@H](C)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527949568 1031479982 /nfs/dbraw/zinc/47/99/82/1031479982.db2.gz OFXYOYFBCHSTDU-MAUKXSAKSA-N 2 1 332.488 3.761 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484165533 1031482681 /nfs/dbraw/zinc/48/26/81/1031482681.db2.gz SQRQHOLXYAQFTO-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484165533 1031482699 /nfs/dbraw/zinc/48/26/99/1031482699.db2.gz SQRQHOLXYAQFTO-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000527935664 1031500413 /nfs/dbraw/zinc/50/04/13/1031500413.db2.gz NVEULETVRONOHH-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000527935664 1031500418 /nfs/dbraw/zinc/50/04/18/1031500418.db2.gz NVEULETVRONOHH-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP COCCC1CC[NH+]([C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527936371 1031502810 /nfs/dbraw/zinc/50/28/10/1031502810.db2.gz RCJLRIBQEVQZBI-RXVVDRJESA-N 2 1 330.516 3.646 20 0 EHADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000484278473 1031515871 /nfs/dbraw/zinc/51/58/71/1031515871.db2.gz OWCVNNCCUCYIJX-SDEKRAFDSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccncc1 ZINC000527990936 1031548159 /nfs/dbraw/zinc/54/81/59/1031548159.db2.gz SKLCPHUJSXPHRI-XYEHWOGUSA-N 2 1 335.495 3.685 20 0 EHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000527992505 1031551868 /nfs/dbraw/zinc/55/18/68/1031551868.db2.gz NUKRIKXATUWYHV-MJGOQNOKSA-N 2 1 334.891 3.560 20 0 EHADMP C[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528010991 1031591931 /nfs/dbraw/zinc/59/19/31/1031591931.db2.gz KXJVHSNDMFWKMT-RCZSKKKRSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010991 1031591933 /nfs/dbraw/zinc/59/19/33/1031591933.db2.gz KXJVHSNDMFWKMT-RCZSKKKRSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010991 1031591937 /nfs/dbraw/zinc/59/19/37/1031591937.db2.gz KXJVHSNDMFWKMT-RCZSKKKRSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010991 1031591952 /nfs/dbraw/zinc/59/19/52/1031591952.db2.gz KXJVHSNDMFWKMT-RCZSKKKRSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010991 1031591961 /nfs/dbraw/zinc/59/19/61/1031591961.db2.gz KXJVHSNDMFWKMT-RCZSKKKRSA-N 2 1 341.543 3.504 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000178036521 1031612674 /nfs/dbraw/zinc/61/26/74/1031612674.db2.gz QHDQBBPSPXRANX-FUHIMQAGSA-N 2 1 334.504 3.625 20 0 EHADMP Cc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1Br ZINC000904376042 1032007297 /nfs/dbraw/zinc/00/72/97/1032007297.db2.gz KXBBSOXIARRDGS-UHFFFAOYSA-N 2 1 337.236 3.645 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652089 1032036359 /nfs/dbraw/zinc/03/63/59/1032036359.db2.gz CAQAJBZKSICBDJ-UHFFFAOYSA-N 2 1 340.515 3.733 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000537951136 1032038362 /nfs/dbraw/zinc/03/83/62/1032038362.db2.gz ZRQGVLMIQNHRAW-PZJWPPBQSA-N 2 1 344.543 3.736 20 0 EHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537966041 1032049982 /nfs/dbraw/zinc/04/99/82/1032049982.db2.gz RTCURERRCDPNSH-OAQYLSRUSA-N 2 1 344.543 3.941 20 0 EHADMP C[C@@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(C)(C)C ZINC000685442004 1033332382 /nfs/dbraw/zinc/33/23/82/1033332382.db2.gz XGOQTXDZMJCZPF-FPOVZHCZSA-N 2 1 343.559 3.561 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C/C=C\c1ccccc1OC ZINC000685462764 1033357824 /nfs/dbraw/zinc/35/78/24/1033357824.db2.gz PMKYNKMXXWRGGU-YFHOEESVSA-N 2 1 327.472 3.880 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C=C\c1ccccc1OC ZINC000685462764 1033357838 /nfs/dbraw/zinc/35/78/38/1033357838.db2.gz PMKYNKMXXWRGGU-YFHOEESVSA-N 2 1 327.472 3.880 20 0 EHADMP c1cc2c(o1)CCC[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000685477469 1033379754 /nfs/dbraw/zinc/37/97/54/1033379754.db2.gz BDRNIWMPNGKILM-UHFFFAOYSA-N 2 1 340.467 3.703 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576788 1033446189 /nfs/dbraw/zinc/44/61/89/1033446189.db2.gz VNUQZPKLXOAXHG-QAPCUYQASA-N 2 1 330.422 3.823 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576788 1033446194 /nfs/dbraw/zinc/44/61/94/1033446194.db2.gz VNUQZPKLXOAXHG-QAPCUYQASA-N 2 1 330.422 3.823 20 0 EHADMP c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339067481 1033502696 /nfs/dbraw/zinc/50/26/96/1033502696.db2.gz KNEFWHOWVHQZJF-ICSRJNTNSA-N 2 1 346.478 3.742 20 0 EHADMP C[C@H]1C[C@@H](NCc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338342 1033560181 /nfs/dbraw/zinc/56/01/81/1033560181.db2.gz RGTFGWDWDQPNMJ-LPHOPBHVSA-N 2 1 338.451 3.558 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CCN1Cc1ccccc1 ZINC000080338342 1033560186 /nfs/dbraw/zinc/56/01/86/1033560186.db2.gz RGTFGWDWDQPNMJ-LPHOPBHVSA-N 2 1 338.451 3.558 20 0 EHADMP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000595017884 1033611752 /nfs/dbraw/zinc/61/17/52/1033611752.db2.gz WTPRPWOAKVWMKK-GJZGRUSLSA-N 2 1 330.538 3.641 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550621506 1033734484 /nfs/dbraw/zinc/73/44/84/1033734484.db2.gz CYDDWXGBPAUEOV-YPMHNXCESA-N 2 1 343.334 3.819 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(N(C)C)c3)C2)CC1 ZINC000608493921 1033727034 /nfs/dbraw/zinc/72/70/34/1033727034.db2.gz WYCNMDUGZALHCI-FQEVSTJZSA-N 2 1 329.532 3.697 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(N(C)C)c3)C2)CC1 ZINC000608493921 1033727046 /nfs/dbraw/zinc/72/70/46/1033727046.db2.gz WYCNMDUGZALHCI-FQEVSTJZSA-N 2 1 329.532 3.697 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550621506 1033734494 /nfs/dbraw/zinc/73/44/94/1033734494.db2.gz CYDDWXGBPAUEOV-YPMHNXCESA-N 2 1 343.334 3.819 20 0 EHADMP CCCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550628574 1033759319 /nfs/dbraw/zinc/75/93/19/1033759319.db2.gz JGKQRQUOXIQFFN-SFTDATJTSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@H](CC[N@@H+]1CCCc2occc2C1)N1CCCc2occc2C1 ZINC000344240854 1033791141 /nfs/dbraw/zinc/79/11/41/1033791141.db2.gz UXJYNQLABFVFDN-MRXNPFEDSA-N 2 1 328.456 3.848 20 0 EHADMP C[C@H](CC[N@H+]1CCCc2occc2C1)N1CCCc2occc2C1 ZINC000344240854 1033791160 /nfs/dbraw/zinc/79/11/60/1033791160.db2.gz UXJYNQLABFVFDN-MRXNPFEDSA-N 2 1 328.456 3.848 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550644081 1033809185 /nfs/dbraw/zinc/80/91/85/1033809185.db2.gz MCILQXHFETVNPH-SFTDATJTSA-N 3 1 329.532 3.534 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550644081 1033809198 /nfs/dbraw/zinc/80/91/98/1033809198.db2.gz MCILQXHFETVNPH-SFTDATJTSA-N 3 1 329.532 3.534 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550680010 1033852092 /nfs/dbraw/zinc/85/20/92/1033852092.db2.gz GITNOROLUWKNCK-CBPXPLCBSA-N 2 1 336.479 3.942 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550680010 1033852100 /nfs/dbraw/zinc/85/21/00/1033852100.db2.gz GITNOROLUWKNCK-CBPXPLCBSA-N 2 1 336.479 3.942 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000658058811 1033871985 /nfs/dbraw/zinc/87/19/85/1033871985.db2.gz USQZVMGNAFLFIY-DNVCBOLYSA-N 2 1 326.488 3.704 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CO1 ZINC000658061809 1033876149 /nfs/dbraw/zinc/87/61/49/1033876149.db2.gz VPEWTVQNXZQFCV-HAGHYFMRSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000344284256 1033900015 /nfs/dbraw/zinc/90/00/15/1033900015.db2.gz CGNXJVPEIYZBPX-KRWDZBQOSA-N 2 1 335.289 3.678 20 0 EHADMP CCc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000450219343 1033924205 /nfs/dbraw/zinc/92/42/05/1033924205.db2.gz CKMKGQNRWNLZAG-UHFFFAOYSA-N 2 1 332.451 3.514 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658146051 1033991930 /nfs/dbraw/zinc/99/19/30/1033991930.db2.gz UICFLASHDJZCIU-LEWJYISDSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@]1(C)CCCO1 ZINC000658318377 1034194526 /nfs/dbraw/zinc/19/45/26/1034194526.db2.gz PJNBCGQNOYQFFL-SESVDKBCSA-N 2 1 342.527 3.836 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCOC1 ZINC000658319833 1034196213 /nfs/dbraw/zinc/19/62/13/1034196213.db2.gz JMIVQDZMNYJVIV-ACRUOGEOSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(Br)CC1 ZINC000924528333 1034204475 /nfs/dbraw/zinc/20/44/75/1034204475.db2.gz GGKHMFVEGPEONV-CQSZACIVSA-N 2 1 337.305 3.557 20 0 EHADMP COc1cccc([C@H]2CSCC[N@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168329876 1034227334 /nfs/dbraw/zinc/22/73/34/1034227334.db2.gz JWIKBSHZTKGVIX-FAFZWHIHSA-N 2 1 334.529 3.658 20 0 EHADMP CN(C)c1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000119857317 1034255955 /nfs/dbraw/zinc/25/59/55/1034255955.db2.gz ZKZKKXGRBYZMJO-UHFFFAOYSA-N 2 1 337.511 3.549 20 0 EHADMP c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000421854488 1034274007 /nfs/dbraw/zinc/27/40/07/1034274007.db2.gz LORSQWFLZHMPDV-ICSRJNTNSA-N 2 1 327.516 3.716 20 0 EHADMP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000421854489 1034274816 /nfs/dbraw/zinc/27/48/16/1034274816.db2.gz LORSQWFLZHMPDV-QUCCMNQESA-N 2 1 327.516 3.716 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340210461 1034467626 /nfs/dbraw/zinc/46/76/26/1034467626.db2.gz RDIUIPRQGRELFP-IFMALSPDSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340210461 1034467632 /nfs/dbraw/zinc/46/76/32/1034467632.db2.gz RDIUIPRQGRELFP-IFMALSPDSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340224499 1034475120 /nfs/dbraw/zinc/47/51/20/1034475120.db2.gz AMQLCWSAMYUHOK-WOJBJXKFSA-N 2 1 338.499 3.699 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340224499 1034475126 /nfs/dbraw/zinc/47/51/26/1034475126.db2.gz AMQLCWSAMYUHOK-WOJBJXKFSA-N 2 1 338.499 3.699 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340252062 1034478366 /nfs/dbraw/zinc/47/83/66/1034478366.db2.gz RYWNUAHQANLQDH-BHDDXSALSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340252062 1034478371 /nfs/dbraw/zinc/47/83/71/1034478371.db2.gz RYWNUAHQANLQDH-BHDDXSALSA-N 2 1 338.495 3.925 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340315593 1034483959 /nfs/dbraw/zinc/48/39/59/1034483959.db2.gz HWGLFBZCMYRNQE-MISYRCLQSA-N 2 1 330.516 3.600 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340315593 1034483963 /nfs/dbraw/zinc/48/39/63/1034483963.db2.gz HWGLFBZCMYRNQE-MISYRCLQSA-N 2 1 330.516 3.600 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340356112 1034486805 /nfs/dbraw/zinc/48/68/05/1034486805.db2.gz XZZVKYFOBSAHDJ-JLSDUUJJSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340356112 1034486818 /nfs/dbraw/zinc/48/68/18/1034486818.db2.gz XZZVKYFOBSAHDJ-JLSDUUJJSA-N 2 1 329.513 3.980 20 0 EHADMP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000604756875 1034499972 /nfs/dbraw/zinc/49/99/72/1034499972.db2.gz NRTZLCVPXUGWGV-CQSZACIVSA-N 2 1 348.288 3.964 20 0 EHADMP Cc1ccc([C@@H](C)C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000628233060 1034553889 /nfs/dbraw/zinc/55/38/89/1034553889.db2.gz DKXCHZGHSOUOQR-IBGZPJMESA-N 2 1 330.516 3.723 20 0 EHADMP O=C(CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601451 1034554627 /nfs/dbraw/zinc/55/46/27/1034554627.db2.gz PQNRDFXURDUFDI-ICSRJNTNSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601451 1034554635 /nfs/dbraw/zinc/55/46/35/1034554635.db2.gz PQNRDFXURDUFDI-ICSRJNTNSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601451 1034554645 /nfs/dbraw/zinc/55/46/45/1034554645.db2.gz PQNRDFXURDUFDI-ICSRJNTNSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601451 1034554658 /nfs/dbraw/zinc/55/46/58/1034554658.db2.gz PQNRDFXURDUFDI-ICSRJNTNSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601451 1034554664 /nfs/dbraw/zinc/55/46/64/1034554664.db2.gz PQNRDFXURDUFDI-ICSRJNTNSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000450601451 1034554676 /nfs/dbraw/zinc/55/46/76/1034554676.db2.gz PQNRDFXURDUFDI-ICSRJNTNSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601451 1034554687 /nfs/dbraw/zinc/55/46/87/1034554687.db2.gz PQNRDFXURDUFDI-ICSRJNTNSA-N 2 1 326.484 3.598 20 0 EHADMP Clc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)c1 ZINC000655779876 1034574116 /nfs/dbraw/zinc/57/41/16/1034574116.db2.gz SXYJLGIZUODFAU-IBGZPJMESA-N 2 1 348.918 3.952 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cc1 ZINC000450676802 1034703913 /nfs/dbraw/zinc/70/39/13/1034703913.db2.gz FUJCRAPEEMYHAX-HOIFWPIMSA-N 2 1 349.478 3.996 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000375905558 1034883072 /nfs/dbraw/zinc/88/30/72/1034883072.db2.gz SWVABHBSZDUIAQ-QFBILLFUSA-N 2 1 335.923 3.501 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450879785 1034907453 /nfs/dbraw/zinc/90/74/53/1034907453.db2.gz OPJDUBVHWWRFFX-FQEVSTJZSA-N 2 1 344.547 3.662 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450879785 1034907457 /nfs/dbraw/zinc/90/74/57/1034907457.db2.gz OPJDUBVHWWRFFX-FQEVSTJZSA-N 2 1 344.547 3.662 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000294776489 1034981088 /nfs/dbraw/zinc/98/10/88/1034981088.db2.gz NLZWUNKHUULWJL-CYBMUJFWSA-N 2 1 343.334 3.960 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695302 1035118056 /nfs/dbraw/zinc/11/80/56/1035118056.db2.gz RHZJBUUPZMMPMT-RBUKOAKNSA-N 2 1 330.516 3.834 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695302 1035118059 /nfs/dbraw/zinc/11/80/59/1035118059.db2.gz RHZJBUUPZMMPMT-RBUKOAKNSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647497217 1035337969 /nfs/dbraw/zinc/33/79/69/1035337969.db2.gz AAWJSHZWNQERJK-QFBILLFUSA-N 2 1 340.515 3.729 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647497217 1035337972 /nfs/dbraw/zinc/33/79/72/1035337972.db2.gz AAWJSHZWNQERJK-QFBILLFUSA-N 2 1 340.515 3.729 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449060286 1035438426 /nfs/dbraw/zinc/43/84/26/1035438426.db2.gz CQFCZVBPYDEKHP-LBPRGKRZSA-N 2 1 331.287 3.835 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000177968364 1035473771 /nfs/dbraw/zinc/47/37/71/1035473771.db2.gz PNWPDYBLVRRLAK-INIZCTEOSA-N 2 1 334.533 3.547 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000177968364 1035473775 /nfs/dbraw/zinc/47/37/75/1035473775.db2.gz PNWPDYBLVRRLAK-INIZCTEOSA-N 2 1 334.533 3.547 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000173226816 1035567115 /nfs/dbraw/zinc/56/71/15/1035567115.db2.gz DFVNIGJNZGOUHB-JOCHJYFZSA-N 2 1 336.479 3.937 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)[nH+]1 ZINC000414128080 1035669055 /nfs/dbraw/zinc/66/90/55/1035669055.db2.gz SWQDHQZVWSSKPQ-ZWKOTPCHSA-N 2 1 345.531 3.931 20 0 EHADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)[C@H]1CC1(C)C ZINC000414131855 1035687615 /nfs/dbraw/zinc/68/76/15/1035687615.db2.gz YKPVGKMIXGHMRP-QZTJIDSGSA-N 2 1 333.520 3.918 20 0 EHADMP CC(C)(C)OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000540976173 1035864237 /nfs/dbraw/zinc/86/42/37/1035864237.db2.gz JIWKBWBAGBNZCR-SLFFLAALSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1nccnc1[C@H](C)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000188069970 1035888966 /nfs/dbraw/zinc/88/89/66/1035888966.db2.gz VZBRXIWZFNYJLJ-DAYGRLMNSA-N 2 1 330.501 3.580 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000414188516 1035956078 /nfs/dbraw/zinc/95/60/78/1035956078.db2.gz QIGZONHFXDWSQK-XLIONFOSSA-N 2 1 338.499 3.571 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000414188617 1035956603 /nfs/dbraw/zinc/95/66/03/1035956603.db2.gz QMKAWWLABJREFT-UWVAXJGDSA-N 2 1 334.479 3.615 20 0 EHADMP Cc1cc([C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191895 1035977546 /nfs/dbraw/zinc/97/75/46/1035977546.db2.gz SCPJCJNDOPTBGW-UWJYYQICSA-N 2 1 341.474 3.940 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194681 1035995048 /nfs/dbraw/zinc/99/50/48/1035995048.db2.gz UONANMLIYUWZHM-ZIAGYGMSSA-N 2 1 334.895 3.609 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000535081974 1036007500 /nfs/dbraw/zinc/00/75/00/1036007500.db2.gz MJYMDPWVABOECC-UHFFFAOYSA-N 2 1 326.488 3.629 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000414201890 1036030373 /nfs/dbraw/zinc/03/03/73/1036030373.db2.gz YIIWYQSZVJXHBQ-JRSUCEMESA-N 2 1 340.511 3.729 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000572253499 1036034029 /nfs/dbraw/zinc/03/40/29/1036034029.db2.gz XVETYDJSMZRXIK-HKUYNNGSSA-N 2 1 339.483 3.589 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000549032319 1036069197 /nfs/dbraw/zinc/06/91/97/1036069197.db2.gz ZNVFFFXTOHBDTL-VQTJNVASSA-N 2 1 342.527 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000549032319 1036069221 /nfs/dbraw/zinc/06/92/21/1036069221.db2.gz ZNVFFFXTOHBDTL-VQTJNVASSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000414251044 1036282058 /nfs/dbraw/zinc/28/20/58/1036282058.db2.gz GRBVDRQRWRHCFK-CVVQJBQKSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472571266 1036389386 /nfs/dbraw/zinc/38/93/86/1036389386.db2.gz OTJQEFBFDXBPFX-XLIONFOSSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472571266 1036389404 /nfs/dbraw/zinc/38/94/04/1036389404.db2.gz OTJQEFBFDXBPFX-XLIONFOSSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472571265 1036390048 /nfs/dbraw/zinc/39/00/48/1036390048.db2.gz OTJQEFBFDXBPFX-PXNSSMCTSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472571265 1036390064 /nfs/dbraw/zinc/39/00/64/1036390064.db2.gz OTJQEFBFDXBPFX-PXNSSMCTSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000156998220 1036412503 /nfs/dbraw/zinc/41/25/03/1036412503.db2.gz MWCSVXAFVHFKSU-COPCDDAFSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000156998220 1036412517 /nfs/dbraw/zinc/41/25/17/1036412517.db2.gz MWCSVXAFVHFKSU-COPCDDAFSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156998220 1036412533 /nfs/dbraw/zinc/41/25/33/1036412533.db2.gz MWCSVXAFVHFKSU-COPCDDAFSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156998220 1036412549 /nfs/dbraw/zinc/41/25/49/1036412549.db2.gz MWCSVXAFVHFKSU-COPCDDAFSA-N 2 1 338.495 3.705 20 0 EHADMP COC1([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000414304430 1036548797 /nfs/dbraw/zinc/54/87/97/1036548797.db2.gz MJBUQWROMZRGGH-QHGAOEGBSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1cc(C)cc([C@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000192794803 1036551074 /nfs/dbraw/zinc/55/10/74/1036551074.db2.gz GEYXURZKAUYWOI-NRFANRHFSA-N 2 1 343.559 3.509 20 0 EHADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398206155 1036573419 /nfs/dbraw/zinc/57/34/19/1036573419.db2.gz QSIJUIIPHBWPNE-AVRDEDQJSA-N 2 1 338.495 3.833 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)c1 ZINC000589647016 1036577084 /nfs/dbraw/zinc/57/70/84/1036577084.db2.gz ADKCUUVAAPJDND-OAHLLOKOSA-N 2 1 340.496 3.626 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)c1 ZINC000589647016 1036577099 /nfs/dbraw/zinc/57/70/99/1036577099.db2.gz ADKCUUVAAPJDND-OAHLLOKOSA-N 2 1 340.496 3.626 20 0 EHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000414326046 1036684833 /nfs/dbraw/zinc/68/48/33/1036684833.db2.gz LDDPPBJLINXEMN-KRWDZBQOSA-N 2 1 344.478 3.530 20 0 EHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000414326046 1036684835 /nfs/dbraw/zinc/68/48/35/1036684835.db2.gz LDDPPBJLINXEMN-KRWDZBQOSA-N 2 1 344.478 3.530 20 0 EHADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000542465013 1036733883 /nfs/dbraw/zinc/73/38/83/1036733883.db2.gz PIZCVOQNUARRIM-PZJWPPBQSA-N 2 1 349.607 3.941 20 0 EHADMP C[C@H]1CCCC[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465013 1036733901 /nfs/dbraw/zinc/73/39/01/1036733901.db2.gz PIZCVOQNUARRIM-PZJWPPBQSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465013 1036733916 /nfs/dbraw/zinc/73/39/16/1036733916.db2.gz PIZCVOQNUARRIM-PZJWPPBQSA-N 3 1 349.607 3.941 20 0 EHADMP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000177291218 1036808587 /nfs/dbraw/zinc/80/85/87/1036808587.db2.gz HHHHJZXDHJGHRA-AZUAARDMSA-N 2 1 338.495 3.910 20 0 EHADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541917708 1036839948 /nfs/dbraw/zinc/83/99/48/1036839948.db2.gz WHFJJTNQIOUBAY-WIYYLYMNSA-N 2 1 330.516 3.868 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C)(C)CC3)c2)CCO1 ZINC000462361270 1036885218 /nfs/dbraw/zinc/88/52/18/1036885218.db2.gz RWRFLHBUFRREMA-KRWDZBQOSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C)(C)CC3)c2)CCO1 ZINC000462361270 1036885241 /nfs/dbraw/zinc/88/52/41/1036885241.db2.gz RWRFLHBUFRREMA-KRWDZBQOSA-N 2 1 330.516 3.966 20 0 EHADMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCCCC1 ZINC000310902677 1036924505 /nfs/dbraw/zinc/92/45/05/1036924505.db2.gz BEJYEEZMZSQWSS-QHAWAJNXSA-N 2 1 342.527 3.572 20 0 EHADMP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786762 1037052899 /nfs/dbraw/zinc/05/28/99/1037052899.db2.gz PLIZABJIOXXVSG-QGZVFWFLSA-N 2 1 345.531 3.628 20 0 EHADMP c1coc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000647543352 1037091653 /nfs/dbraw/zinc/09/16/53/1037091653.db2.gz LPIQGILVKUFPMK-LSDHHAIUSA-N 2 1 331.485 3.615 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3NCCC4)C2)cc1 ZINC000311027224 1037174463 /nfs/dbraw/zinc/17/44/63/1037174463.db2.gz PJBGBZOIAORRLR-IBGZPJMESA-N 2 1 335.495 3.656 20 0 EHADMP C[N@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)C[C@H]1c1ccccc1 ZINC000423283819 1037199266 /nfs/dbraw/zinc/19/92/66/1037199266.db2.gz WILGWPXCXQVOPR-RTWAWAEBSA-N 2 1 329.532 3.724 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818206 1037238396 /nfs/dbraw/zinc/23/83/96/1037238396.db2.gz KENDIMXCZFLEAY-HIFRSBDPSA-N 2 1 330.394 3.747 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818206 1037238409 /nfs/dbraw/zinc/23/84/09/1037238409.db2.gz KENDIMXCZFLEAY-HIFRSBDPSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818206 1037238425 /nfs/dbraw/zinc/23/84/25/1037238425.db2.gz KENDIMXCZFLEAY-HIFRSBDPSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818206 1037238438 /nfs/dbraw/zinc/23/84/38/1037238438.db2.gz KENDIMXCZFLEAY-HIFRSBDPSA-N 2 1 330.394 3.747 20 0 EHADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(OC2CCCC2)c1 ZINC000539819305 1037239173 /nfs/dbraw/zinc/23/91/73/1037239173.db2.gz WXZLTGAEHSJNCV-IBGZPJMESA-N 2 1 328.500 3.926 20 0 EHADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(OC2CCCC2)c1 ZINC000539819305 1037239189 /nfs/dbraw/zinc/23/91/89/1037239189.db2.gz WXZLTGAEHSJNCV-IBGZPJMESA-N 2 1 328.500 3.926 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000539850866 1037280098 /nfs/dbraw/zinc/28/00/98/1037280098.db2.gz LNQDUHLPNFRRJZ-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000539850866 1037280110 /nfs/dbraw/zinc/28/01/10/1037280110.db2.gz LNQDUHLPNFRRJZ-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539850866 1037280126 /nfs/dbraw/zinc/28/01/26/1037280126.db2.gz LNQDUHLPNFRRJZ-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539850866 1037280140 /nfs/dbraw/zinc/28/01/40/1037280140.db2.gz LNQDUHLPNFRRJZ-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000106165582 1037309036 /nfs/dbraw/zinc/30/90/36/1037309036.db2.gz UQAIPEQOJSFFEQ-UHFFFAOYSA-N 2 1 333.476 3.606 20 0 EHADMP CCCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000539897547 1037333362 /nfs/dbraw/zinc/33/33/62/1037333362.db2.gz BYXLURLSTOKQQX-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000539897547 1037333378 /nfs/dbraw/zinc/33/33/78/1037333378.db2.gz BYXLURLSTOKQQX-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000539897547 1037333392 /nfs/dbraw/zinc/33/33/92/1037333392.db2.gz BYXLURLSTOKQQX-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461548 1037365792 /nfs/dbraw/zinc/36/57/92/1037365792.db2.gz TXLWQDWGNFEPKW-VDGAXYAQSA-N 2 1 349.950 3.797 20 0 EHADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@@H+]1C ZINC000462877997 1037506429 /nfs/dbraw/zinc/50/64/29/1037506429.db2.gz KDHDMGPYYPAHMH-AAEUAGOBSA-N 2 1 334.261 3.892 20 0 EHADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@H+]1C ZINC000462877997 1037506443 /nfs/dbraw/zinc/50/64/43/1037506443.db2.gz KDHDMGPYYPAHMH-AAEUAGOBSA-N 2 1 334.261 3.892 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCc3ccco3)CCCC2)CC1 ZINC000532515469 1037556197 /nfs/dbraw/zinc/55/61/97/1037556197.db2.gz CFBQCRIONBHSGM-KRWDZBQOSA-N 2 1 334.504 3.614 20 0 EHADMP C[C@@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)C[NH+](C)C ZINC000491592502 1037573293 /nfs/dbraw/zinc/57/32/93/1037573293.db2.gz WCZJWILCJGOFHW-KRWDZBQOSA-N 2 1 340.515 3.512 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000573812868 1037757865 /nfs/dbraw/zinc/75/78/65/1037757865.db2.gz BOQUONQMGGNOPE-GVDBMIGSSA-N 2 1 341.524 3.775 20 0 EHADMP CC(C)c1cc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000540286455 1037782045 /nfs/dbraw/zinc/78/20/45/1037782045.db2.gz AWQWFQRUSKFGGH-ULQDDVLXSA-N 2 1 345.535 3.508 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463148765 1037818443 /nfs/dbraw/zinc/81/84/43/1037818443.db2.gz HKGZUWUYHASVHF-CEWLAPEOSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463148765 1037818459 /nfs/dbraw/zinc/81/84/59/1037818459.db2.gz HKGZUWUYHASVHF-CEWLAPEOSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463148765 1037818477 /nfs/dbraw/zinc/81/84/77/1037818477.db2.gz HKGZUWUYHASVHF-CEWLAPEOSA-N 2 1 329.532 3.504 20 0 EHADMP COC1CCC(C)(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463249663 1037936571 /nfs/dbraw/zinc/93/65/71/1037936571.db2.gz FRNIETPIQBBASP-UHFFFAOYSA-N 2 1 344.543 3.878 20 0 EHADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000123544020 1038033698 /nfs/dbraw/zinc/03/36/98/1038033698.db2.gz XISNAYMBOUFPDU-OAHLLOKOSA-N 2 1 348.288 3.637 20 0 EHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000124526862 1038201082 /nfs/dbraw/zinc/20/10/82/1038201082.db2.gz QDJFRXLGKDLJIK-LJQANCHMSA-N 2 1 337.939 3.654 20 0 EHADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797315 1038534811 /nfs/dbraw/zinc/53/48/11/1038534811.db2.gz AMDVBDNZAVTVDO-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797315 1038534815 /nfs/dbraw/zinc/53/48/15/1038534815.db2.gz AMDVBDNZAVTVDO-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000538797315 1038534820 /nfs/dbraw/zinc/53/48/20/1038534820.db2.gz AMDVBDNZAVTVDO-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCC ZINC000538797315 1038534826 /nfs/dbraw/zinc/53/48/26/1038534826.db2.gz AMDVBDNZAVTVDO-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP Cc1cc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)ccc1F ZINC000539200521 1038726141 /nfs/dbraw/zinc/72/61/41/1038726141.db2.gz NMRMXESZCWUOEN-HXUWFJFHSA-N 2 1 346.490 3.820 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C[C@H](C)O1 ZINC000539218927 1038735841 /nfs/dbraw/zinc/73/58/41/1038735841.db2.gz WFILPXXLXFIZNH-GQIGUUNPSA-N 2 1 334.479 3.756 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000479918773 1038897409 /nfs/dbraw/zinc/89/74/09/1038897409.db2.gz XMOYYKFZOIMFOZ-KCZVDYSFSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000479918773 1038897432 /nfs/dbraw/zinc/89/74/32/1038897432.db2.gz XMOYYKFZOIMFOZ-KCZVDYSFSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000479918773 1038897447 /nfs/dbraw/zinc/89/74/47/1038897447.db2.gz XMOYYKFZOIMFOZ-KCZVDYSFSA-N 2 1 343.559 3.751 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898388890 1038940081 /nfs/dbraw/zinc/94/00/81/1038940081.db2.gz WKHINWXRDQNWPE-QGQQZZQASA-N 2 1 348.490 3.602 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898388890 1038940095 /nfs/dbraw/zinc/94/00/95/1038940095.db2.gz WKHINWXRDQNWPE-QGQQZZQASA-N 2 1 348.490 3.602 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089061 1039007884 /nfs/dbraw/zinc/00/78/84/1039007884.db2.gz QMWKYCYUZOHUGD-UHFFFAOYSA-N 2 1 331.287 3.776 20 0 EHADMP COc1cc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000093089405 1039016308 /nfs/dbraw/zinc/01/63/08/1039016308.db2.gz RTVSNIMDUDCGCV-UHFFFAOYSA-N 2 1 331.287 3.776 20 0 EHADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000108450514 1039049239 /nfs/dbraw/zinc/04/92/39/1039049239.db2.gz QKJFKYXAYGMUGH-KSZLIROESA-N 2 1 343.515 3.525 20 0 EHADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000552246484 1039109522 /nfs/dbraw/zinc/10/95/22/1039109522.db2.gz WDUBAJAHCPGKNF-HBMCJLEFSA-N 2 1 330.516 3.726 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1nccn1C ZINC000182443165 1039129397 /nfs/dbraw/zinc/12/93/97/1039129397.db2.gz VWECBBCMOZJCNU-HXUWFJFHSA-N 2 1 340.515 3.893 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276939 1039150909 /nfs/dbraw/zinc/15/09/09/1039150909.db2.gz MFDCGCVQPPKQPI-PKOBYXMFSA-N 2 1 332.536 3.989 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276939 1039150920 /nfs/dbraw/zinc/15/09/20/1039150920.db2.gz MFDCGCVQPPKQPI-PKOBYXMFSA-N 2 1 332.536 3.989 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CS1 ZINC000898520392 1039193182 /nfs/dbraw/zinc/19/31/82/1039193182.db2.gz XNOWNWQUXDNOOK-LGKHCZOZSA-N 2 1 330.541 3.771 20 0 EHADMP c1ncc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898521696 1039195206 /nfs/dbraw/zinc/19/52/06/1039195206.db2.gz GIQZGKHJGQRFAF-SQNIBIBYSA-N 2 1 327.497 3.533 20 0 EHADMP Brc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000236698864 1039241643 /nfs/dbraw/zinc/24/16/43/1039241643.db2.gz HQWVZPGPWAAXBK-UHFFFAOYSA-N 2 1 349.272 3.928 20 0 EHADMP C[NH+](C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000480263327 1039375443 /nfs/dbraw/zinc/37/54/43/1039375443.db2.gz JSJSGPHHRDWSNZ-IBGZPJMESA-N 2 1 335.561 3.738 20 0 EHADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000480263327 1039375456 /nfs/dbraw/zinc/37/54/56/1039375456.db2.gz JSJSGPHHRDWSNZ-IBGZPJMESA-N 2 1 335.561 3.738 20 0 EHADMP CC(C)n1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000279937379 1039609344 /nfs/dbraw/zinc/60/93/44/1039609344.db2.gz NMIXZUIUOLIFCI-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP OC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000417354926 1039713288 /nfs/dbraw/zinc/71/32/88/1039713288.db2.gz ADZXJOPSYDGURR-OAQYLSRUSA-N 2 1 330.516 3.572 20 0 EHADMP c1cc2[nH+]ccc(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c2s1 ZINC000480575504 1039718186 /nfs/dbraw/zinc/71/81/86/1039718186.db2.gz HNIPOCZAPLMDFK-CALCHBBNSA-N 2 1 335.476 3.865 20 0 EHADMP c1cc2[nH+]ccc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2s1 ZINC000480575504 1039718202 /nfs/dbraw/zinc/71/82/02/1039718202.db2.gz HNIPOCZAPLMDFK-CALCHBBNSA-N 2 1 335.476 3.865 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000480615070 1039756864 /nfs/dbraw/zinc/75/68/64/1039756864.db2.gz UTCHUAFZNZEMNB-QMMLZNLJSA-N 2 1 330.516 3.823 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000489335764 1039843121 /nfs/dbraw/zinc/84/31/21/1039843121.db2.gz ZKXCPOLQWLUSHO-UGKGYDQZSA-N 2 1 344.543 3.567 20 0 EHADMP CC(C)[C@@H]1C[NH+](CCC[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000489324765 1039853626 /nfs/dbraw/zinc/85/36/26/1039853626.db2.gz IJNCEIWQLKPYKG-CALCHBBNSA-N 2 1 330.607 3.523 20 0 EHADMP CC(C)[C@@H]1C[N@H+](CCC[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000489324765 1039853651 /nfs/dbraw/zinc/85/36/51/1039853651.db2.gz IJNCEIWQLKPYKG-CALCHBBNSA-N 2 1 330.607 3.523 20 0 EHADMP CC(C)[C@@H]1C[N@@H+](CCC[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000489324765 1039853671 /nfs/dbraw/zinc/85/36/71/1039853671.db2.gz IJNCEIWQLKPYKG-CALCHBBNSA-N 2 1 330.607 3.523 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000480667321 1039855393 /nfs/dbraw/zinc/85/53/93/1039855393.db2.gz JOVHMHHNAFTETQ-UHFFFAOYSA-N 2 1 332.536 3.670 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000480667321 1039855420 /nfs/dbraw/zinc/85/54/20/1039855420.db2.gz JOVHMHHNAFTETQ-UHFFFAOYSA-N 2 1 332.536 3.670 20 0 EHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccs1 ZINC000480779046 1040000744 /nfs/dbraw/zinc/00/07/44/1040000744.db2.gz JSMDZOLIFJRZBZ-IEBWSBKVSA-N 2 1 343.540 3.778 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(C(C)(C)C)cc1 ZINC000555092578 1040134183 /nfs/dbraw/zinc/13/41/83/1040134183.db2.gz JPJNPNCSSWEMPC-HKBOAZHASA-N 2 1 344.543 3.710 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000555099223 1040156722 /nfs/dbraw/zinc/15/67/22/1040156722.db2.gz KXKTUDZFMGTNEF-SBALYVHTSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000555099223 1040156763 /nfs/dbraw/zinc/15/67/63/1040156763.db2.gz KXKTUDZFMGTNEF-SBALYVHTSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000555099223 1040156780 /nfs/dbraw/zinc/15/67/80/1040156780.db2.gz KXKTUDZFMGTNEF-SBALYVHTSA-N 2 1 338.442 3.963 20 0 EHADMP C[NH+](Cc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000245874119 1040203817 /nfs/dbraw/zinc/20/38/17/1040203817.db2.gz MJSLMTACQWABNQ-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP C[NH+](Cc1cccc(C[N@H+](C)[C@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000245874119 1040203834 /nfs/dbraw/zinc/20/38/34/1040203834.db2.gz MJSLMTACQWABNQ-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP C[NH+](Cc1cccc(C[N@@H+](C)[C@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000245874119 1040203855 /nfs/dbraw/zinc/20/38/55/1040203855.db2.gz MJSLMTACQWABNQ-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000486550802 1040249917 /nfs/dbraw/zinc/24/99/17/1040249917.db2.gz QVVNIBAGLQVEST-YJMBLLCNSA-N 2 1 344.543 3.938 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000644784134 1040260766 /nfs/dbraw/zinc/26/07/66/1040260766.db2.gz XXUXYKJJGLDBOB-KRWDZBQOSA-N 2 1 326.406 3.666 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000644784134 1040260777 /nfs/dbraw/zinc/26/07/77/1040260777.db2.gz XXUXYKJJGLDBOB-KRWDZBQOSA-N 2 1 326.406 3.666 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000644784134 1040260787 /nfs/dbraw/zinc/26/07/87/1040260787.db2.gz XXUXYKJJGLDBOB-KRWDZBQOSA-N 2 1 326.406 3.666 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000417863362 1040274738 /nfs/dbraw/zinc/27/47/38/1040274738.db2.gz FQYJBDFAKVDTNK-QGZVFWFLSA-N 2 1 326.488 3.567 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000417863362 1040274754 /nfs/dbraw/zinc/27/47/54/1040274754.db2.gz FQYJBDFAKVDTNK-QGZVFWFLSA-N 2 1 326.488 3.567 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(SC)c2)[C@H](C)C1 ZINC000660304261 1040298080 /nfs/dbraw/zinc/29/80/80/1040298080.db2.gz CJLPAUBWNCYLEW-VQIMIIECSA-N 2 1 336.545 3.635 20 0 EHADMP CC(C)CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000555234805 1040321896 /nfs/dbraw/zinc/32/18/96/1040321896.db2.gz AZSNYHCJRZYZNE-NHCUHLMSSA-N 2 1 330.516 3.558 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCS4)[C@H]3C2)cc1 ZINC000512632395 1040339549 /nfs/dbraw/zinc/33/95/49/1040339549.db2.gz ZZDKXCGERIURMG-YRPNKDGESA-N 2 1 330.541 3.772 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000512637451 1040363336 /nfs/dbraw/zinc/36/33/36/1040363336.db2.gz VYNKRZDHQPILDE-FKBYEOEOSA-N 2 1 342.527 3.693 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3C(C)=CCC[C@H]3C)CCCC2)CC1 ZINC000479551406 1040369976 /nfs/dbraw/zinc/36/99/76/1040369976.db2.gz FEWYHSHYCIXDLE-UYAOXDASSA-N 2 1 334.548 3.992 20 0 EHADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549867959 1040456575 /nfs/dbraw/zinc/45/65/75/1040456575.db2.gz KJZCXMIMPJDZTN-NRSPTQNISA-N 2 1 342.527 3.693 20 0 EHADMP c1cc(C2([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc2c1OCO2 ZINC000553904836 1040577258 /nfs/dbraw/zinc/57/72/58/1040577258.db2.gz AXYNBCRSVXWHPA-UHFFFAOYSA-N 2 1 342.483 3.791 20 0 EHADMP CCC[NH+](CCC)CCCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899505724 1040635233 /nfs/dbraw/zinc/63/52/33/1040635233.db2.gz FHCICQSZZKMZQP-UHFFFAOYSA-N 2 1 348.535 3.635 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000481326719 1040690025 /nfs/dbraw/zinc/69/00/25/1040690025.db2.gz ZDGLWDQBYJGYFO-GJZGRUSLSA-N 2 1 326.431 3.979 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000481398799 1040845373 /nfs/dbraw/zinc/84/53/73/1040845373.db2.gz FNWUJAWDJRVAAW-PZJWPPBQSA-N 2 1 332.532 3.573 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000481415384 1040876663 /nfs/dbraw/zinc/87/66/63/1040876663.db2.gz NZFOERGMQKOAJW-SFHVURJKSA-N 2 1 344.524 3.979 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000569823607 1040909795 /nfs/dbraw/zinc/90/97/95/1040909795.db2.gz ADFYLNGECZSTQV-JKSUJKDBSA-N 2 1 345.512 3.715 20 0 EHADMP Brc1cccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157431926 1041115355 /nfs/dbraw/zinc/11/53/55/1041115355.db2.gz UYSFHQVDOBGMJX-ZLGJRNTRSA-N 2 1 349.316 3.912 20 0 EHADMP Cc1c(Cl)cccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212144744 1041115936 /nfs/dbraw/zinc/11/59/36/1041115936.db2.gz BUGICYODQRCCHC-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000398319893 1041311774 /nfs/dbraw/zinc/31/17/74/1041311774.db2.gz YUGZGNZCWLJTGI-CGXNFDGLSA-N 2 1 338.882 3.527 20 0 EHADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000398319893 1041311787 /nfs/dbraw/zinc/31/17/87/1041311787.db2.gz YUGZGNZCWLJTGI-CGXNFDGLSA-N 2 1 338.882 3.527 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000433336854 1041313019 /nfs/dbraw/zinc/31/30/19/1041313019.db2.gz QZIBTLDDQBLSJY-GFCCVEGCSA-N 2 1 335.439 3.764 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000388493976 1041323621 /nfs/dbraw/zinc/32/36/21/1041323621.db2.gz ADLMTYKMZRQJOB-MGPQQGTHSA-N 2 1 343.334 3.911 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccnc(O[C@@H](C)CC(C)C)c2)[C@@H](C)C1 ZINC000468829909 1041667131 /nfs/dbraw/zinc/66/71/31/1041667131.db2.gz FDNHMVVCJCLRHX-LNLFQRSKSA-N 2 1 333.520 3.715 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(O[C@@H](C)CC(C)C)c2)[C@@H](C)C1 ZINC000468829909 1041667133 /nfs/dbraw/zinc/66/71/33/1041667133.db2.gz FDNHMVVCJCLRHX-LNLFQRSKSA-N 2 1 333.520 3.715 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000651636843 1041818400 /nfs/dbraw/zinc/81/84/00/1041818400.db2.gz VDDBQTNNWMEDSZ-RBUKOAKNSA-N 2 1 326.488 3.516 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c2ccccn21 ZINC000651636843 1041818406 /nfs/dbraw/zinc/81/84/06/1041818406.db2.gz VDDBQTNNWMEDSZ-RBUKOAKNSA-N 2 1 326.488 3.516 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(-c3cccc(C)c3)nc2C)C[C@H]1C ZINC000651644691 1041836173 /nfs/dbraw/zinc/83/61/73/1041836173.db2.gz ZLRHTJYQFBQDDI-XLIONFOSSA-N 2 1 340.515 3.794 20 0 EHADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000651865252 1042124573 /nfs/dbraw/zinc/12/45/73/1042124573.db2.gz RTSUPJOCOXOFFO-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000651865252 1042124575 /nfs/dbraw/zinc/12/45/75/1042124575.db2.gz RTSUPJOCOXOFFO-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000651865252 1042124579 /nfs/dbraw/zinc/12/45/79/1042124579.db2.gz RTSUPJOCOXOFFO-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000651865252 1042124582 /nfs/dbraw/zinc/12/45/82/1042124582.db2.gz RTSUPJOCOXOFFO-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000651865252 1042124584 /nfs/dbraw/zinc/12/45/84/1042124584.db2.gz RTSUPJOCOXOFFO-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c1 ZINC000652347612 1042408165 /nfs/dbraw/zinc/40/81/65/1042408165.db2.gz GKWVIFTUNLFGFR-LWYYNNOASA-N 2 1 330.516 3.891 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)C1 ZINC000652348844 1042408686 /nfs/dbraw/zinc/40/86/86/1042408686.db2.gz UAHUVTRPEAHEBC-JZXOWHBKSA-N 2 1 349.544 3.519 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)C1 ZINC000652348888 1042408896 /nfs/dbraw/zinc/40/88/96/1042408896.db2.gz UQSQSOFDUKTKLB-BDTNDASRSA-N 2 1 338.495 3.601 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999339 1042454060 /nfs/dbraw/zinc/45/40/60/1042454060.db2.gz UHHUTDGYLGLYCN-VWEINGBSSA-N 2 1 348.506 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999339 1042454063 /nfs/dbraw/zinc/45/40/63/1042454063.db2.gz UHHUTDGYLGLYCN-VWEINGBSSA-N 2 1 348.506 3.784 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000188347191 1042595693 /nfs/dbraw/zinc/59/56/93/1042595693.db2.gz BPMBEOZHXIJHMP-FQEVSTJZSA-N 2 1 339.483 3.770 20 0 EHADMP C[N@H+](Cc1cc(Cl)ccc1Br)CC1CC[NH+](C)CC1 ZINC000388636875 1042607902 /nfs/dbraw/zinc/60/79/02/1042607902.db2.gz JHYMZWOVRCLRQJ-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP CC(C)c1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000663314267 1042669043 /nfs/dbraw/zinc/66/90/43/1042669043.db2.gz CKXAOJVQFWLLCG-UHFFFAOYSA-N 2 1 338.495 3.932 20 0 EHADMP O[C@@H](C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1)c1ccco1 ZINC000161551750 1042671376 /nfs/dbraw/zinc/67/13/76/1042671376.db2.gz CDUSHQWWHVEHQZ-MOPGFXCFSA-N 2 1 334.504 3.824 20 0 EHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323916 1042684813 /nfs/dbraw/zinc/68/48/13/1042684813.db2.gz UKADDWPYZBHKTB-DYESRHJHSA-N 2 1 326.484 3.943 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345937 1042730525 /nfs/dbraw/zinc/73/05/25/1042730525.db2.gz PDUNELPKPHUCSH-SFHVURJKSA-N 2 1 338.499 3.597 20 0 EHADMP CC(C)n1cc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165338365 1042783156 /nfs/dbraw/zinc/78/31/56/1042783156.db2.gz HRIIOMSASJDHCS-UYAOXDASSA-N 2 1 340.515 3.679 20 0 EHADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165338365 1042783160 /nfs/dbraw/zinc/78/31/60/1042783160.db2.gz HRIIOMSASJDHCS-UYAOXDASSA-N 2 1 340.515 3.679 20 0 EHADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165338365 1042783165 /nfs/dbraw/zinc/78/31/65/1042783165.db2.gz HRIIOMSASJDHCS-UYAOXDASSA-N 2 1 340.515 3.679 20 0 EHADMP COc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471100 1042897783 /nfs/dbraw/zinc/89/77/83/1042897783.db2.gz WLOKEZRHKVMYRC-FXAWDEMLSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471100 1042897790 /nfs/dbraw/zinc/89/77/90/1042897790.db2.gz WLOKEZRHKVMYRC-FXAWDEMLSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471100 1042897794 /nfs/dbraw/zinc/89/77/94/1042897794.db2.gz WLOKEZRHKVMYRC-FXAWDEMLSA-N 2 1 344.499 3.621 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001167826123 1042958130 /nfs/dbraw/zinc/95/81/30/1042958130.db2.gz MNSWCESYYFCMSA-VQTJNVASSA-N 2 1 331.548 3.703 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925787305 1042982346 /nfs/dbraw/zinc/98/23/46/1042982346.db2.gz ZZCLHFDBFKVEQR-DOMZBBRYSA-N 2 1 344.833 3.697 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000432368025 1043011219 /nfs/dbraw/zinc/01/12/19/1043011219.db2.gz NPEQSUBXQCIWBZ-GOSISDBHSA-N 2 1 346.515 3.599 20 0 EHADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414610 1043128451 /nfs/dbraw/zinc/12/84/51/1043128451.db2.gz AACMPBDQKICNLW-CTNGQTDRSA-N 2 1 332.532 3.878 20 0 EHADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414610 1043128453 /nfs/dbraw/zinc/12/84/53/1043128453.db2.gz AACMPBDQKICNLW-CTNGQTDRSA-N 2 1 332.532 3.878 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001167841796 1043133018 /nfs/dbraw/zinc/13/30/18/1043133018.db2.gz RAXQRPIYICKWPW-FCEUIQTBSA-N 2 1 343.559 3.703 20 0 EHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432417082 1043142307 /nfs/dbraw/zinc/14/23/07/1043142307.db2.gz KGGPORKTMIERIZ-UYAOXDASSA-N 2 1 346.515 3.608 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCCS2 ZINC000279049003 1043262726 /nfs/dbraw/zinc/26/27/26/1043262726.db2.gz XVYMRLVTYCTYSJ-WMLDXEAASA-N 2 1 343.496 3.671 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271579 1043564721 /nfs/dbraw/zinc/56/47/21/1043564721.db2.gz ABNVRLHFFQTCLS-QKNQBKEWSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271579 1043564732 /nfs/dbraw/zinc/56/47/32/1043564732.db2.gz ABNVRLHFFQTCLS-QKNQBKEWSA-N 2 1 344.543 3.818 20 0 EHADMP CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163317945 1043937109 /nfs/dbraw/zinc/93/71/09/1043937109.db2.gz WICGAFVJNYLSSD-BBRMVZONSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccccc1Br ZINC000163317945 1043937113 /nfs/dbraw/zinc/93/71/13/1043937113.db2.gz WICGAFVJNYLSSD-BBRMVZONSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163317945 1043937124 /nfs/dbraw/zinc/93/71/24/1043937124.db2.gz WICGAFVJNYLSSD-BBRMVZONSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203866 1044144457 /nfs/dbraw/zinc/14/44/57/1044144457.db2.gz RDJXNLCGDRPRBN-IEBWSBKVSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203866 1044144462 /nfs/dbraw/zinc/14/44/62/1044144462.db2.gz RDJXNLCGDRPRBN-IEBWSBKVSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203866 1044144468 /nfs/dbraw/zinc/14/44/68/1044144468.db2.gz RDJXNLCGDRPRBN-IEBWSBKVSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203866 1044144479 /nfs/dbraw/zinc/14/44/79/1044144479.db2.gz RDJXNLCGDRPRBN-IEBWSBKVSA-N 2 1 328.500 3.708 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000338010488 1044684446 /nfs/dbraw/zinc/68/44/46/1044684446.db2.gz UWGKDNPILIVNLA-DZFGPLHGSA-N 2 1 348.506 3.651 20 0 EHADMP Cc1ncsc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000153579671 1125634225 /nfs/dbraw/zinc/63/42/25/1125634225.db2.gz WURGVPFDXVGUDV-GJZGRUSLSA-N 2 1 329.513 3.698 20 0 EHADMP Brc1cc2c(s1)CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000336792915 1126810322 /nfs/dbraw/zinc/81/03/22/1126810322.db2.gz USYWQNKMRATUHN-GFCCVEGCSA-N 2 1 329.307 3.573 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000173359773 1126829791 /nfs/dbraw/zinc/82/97/91/1126829791.db2.gz BGNIMZMBRFRIFD-BBWFWOEESA-N 2 1 336.545 3.949 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623343955 1126922882 /nfs/dbraw/zinc/92/28/82/1126922882.db2.gz QUMPAEQFQGBIEF-IBGZPJMESA-N 2 1 349.950 3.767 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356558 1126929046 /nfs/dbraw/zinc/92/90/46/1126929046.db2.gz XAUNNABTDZBSBV-MOPGFXCFSA-N 2 1 349.950 3.939 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1(C)C ZINC000623429766 1126954201 /nfs/dbraw/zinc/95/42/01/1126954201.db2.gz ONLDCCHWNAMMJM-SOLBZPMBSA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1cccs1 ZINC000623429766 1126954202 /nfs/dbraw/zinc/95/42/02/1126954202.db2.gz ONLDCCHWNAMMJM-SOLBZPMBSA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1cccs1 ZINC000623429766 1126954204 /nfs/dbraw/zinc/95/42/04/1126954204.db2.gz ONLDCCHWNAMMJM-SOLBZPMBSA-N 2 1 335.561 3.593 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623436187 1126955487 /nfs/dbraw/zinc/95/54/87/1126955487.db2.gz IFSGNCIBVFVCDS-UFYCRDLUSA-N 2 1 330.516 3.925 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476236 1126963571 /nfs/dbraw/zinc/96/35/71/1126963571.db2.gz UHUPUELOWPFPCW-FGTMMUONSA-N 2 1 335.923 3.548 20 0 EHADMP COc1ccc(-c2nc(CNC[C@@H]3CCCC[N@@H+](C)C3)cs2)cc1 ZINC000623656547 1127006219 /nfs/dbraw/zinc/00/62/19/1127006219.db2.gz WRHGQDLFVIHEJG-HNNXBMFYSA-N 2 1 345.512 3.640 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000921503070 1127088218 /nfs/dbraw/zinc/08/82/18/1127088218.db2.gz DVDWILVCPMWNQL-UHFFFAOYSA-N 2 1 346.906 3.901 20 0 EHADMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623951644 1127221219 /nfs/dbraw/zinc/22/12/19/1127221219.db2.gz UICPJTDIQXAJQX-SFHVURJKSA-N 2 1 347.572 3.829 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCCO1 ZINC000624016286 1127233735 /nfs/dbraw/zinc/23/37/35/1127233735.db2.gz SUVFVWSYZZDOEF-JBACZVJFSA-N 2 1 342.527 3.836 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000181561112 1127283145 /nfs/dbraw/zinc/28/31/45/1127283145.db2.gz UVUPOVXLCUDGLJ-IBGZPJMESA-N 2 1 336.495 3.739 20 0 EHADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000381781107 1127492608 /nfs/dbraw/zinc/49/26/08/1127492608.db2.gz ZOCSJOZIOFMOAN-CEXWTWQISA-N 2 1 330.541 3.772 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414955 1127608836 /nfs/dbraw/zinc/60/88/36/1127608836.db2.gz DLSBQMXLLGUJGR-SIKLNZKXSA-N 2 1 349.522 3.549 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414955 1127608837 /nfs/dbraw/zinc/60/88/37/1127608837.db2.gz DLSBQMXLLGUJGR-SIKLNZKXSA-N 2 1 349.522 3.549 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC001137808568 1127702674 /nfs/dbraw/zinc/70/26/74/1127702674.db2.gz WMKONJXYJOJPQG-UHFFFAOYSA-N 2 1 337.305 3.675 20 0 EHADMP CCC[NH+]1CCC(NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000387396473 1127758319 /nfs/dbraw/zinc/75/83/19/1127758319.db2.gz KUEOXPOYCGIGFF-UHFFFAOYSA-N 2 1 329.532 3.505 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCCC(C)C ZINC000126657451 1128107160 /nfs/dbraw/zinc/10/71/60/1128107160.db2.gz MZICRYVLGRAJIF-RTBURBONSA-N 2 1 346.515 3.837 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCCC(C)C ZINC000126657451 1128107161 /nfs/dbraw/zinc/10/71/61/1128107161.db2.gz MZICRYVLGRAJIF-RTBURBONSA-N 2 1 346.515 3.837 20 0 EHADMP CCCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1OC ZINC000061029131 1128118243 /nfs/dbraw/zinc/11/82/43/1128118243.db2.gz OFXGDLGSUHVCRN-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP CCCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1OC ZINC000061029131 1128118245 /nfs/dbraw/zinc/11/82/45/1128118245.db2.gz OFXGDLGSUHVCRN-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168585319 1128125651 /nfs/dbraw/zinc/12/56/51/1128125651.db2.gz HNXLTKMOPPLJNC-ICSRJNTNSA-N 2 1 334.504 3.627 20 0 EHADMP COc1ccc([C@H]2C[C@@H]([N@@H+](C(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168620144 1128471574 /nfs/dbraw/zinc/47/15/74/1128471574.db2.gz ZZWMSHPBMPQXHZ-VNYTWHDVSA-N 2 1 346.515 3.896 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C(C)C)C[C@@H]3C)CCO2)cc1 ZINC001168630981 1128494785 /nfs/dbraw/zinc/49/47/85/1128494785.db2.gz RLNOOEPPEOFQFS-QAKNJHSXSA-N 2 1 346.515 3.624 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3cccc(F)c3)CCCC2)CC1 ZINC000765858725 1128624192 /nfs/dbraw/zinc/62/41/92/1128624192.db2.gz HWQSSIDDSMBYTQ-QGZVFWFLSA-N 2 1 348.506 3.770 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000109068218 1120019299 /nfs/dbraw/zinc/01/92/99/1120019299.db2.gz KBWCQBAPZONPNN-INIZCTEOSA-N 2 1 340.515 3.559 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001648816908 1120048312 /nfs/dbraw/zinc/04/83/12/1120048312.db2.gz MSXJARVTJMOFRN-GOSISDBHSA-N 2 1 346.515 3.982 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000109443455 1120112951 /nfs/dbraw/zinc/11/29/51/1120112951.db2.gz BEALZOGIYLZFNQ-LJQANCHMSA-N 2 1 331.504 3.731 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000186879873 1120478504 /nfs/dbraw/zinc/47/85/04/1120478504.db2.gz IHKZVLRSQDJIIC-NRFANRHFSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCSCC1 ZINC000186996268 1120482280 /nfs/dbraw/zinc/48/22/80/1120482280.db2.gz BQNSMQLBXKQTHV-QGZVFWFLSA-N 2 1 332.557 3.815 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494316784 1120534057 /nfs/dbraw/zinc/53/40/57/1120534057.db2.gz WCLDJRNWHCXIFH-ZDUSSCGKSA-N 2 1 345.712 3.924 20 0 EHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)s1 ZINC000191388470 1120671359 /nfs/dbraw/zinc/67/13/59/1120671359.db2.gz XAFKVOCCIKQSNZ-UHFFFAOYSA-N 2 1 343.968 3.640 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cncc(F)c3)cc2)C1 ZINC000494616514 1120690612 /nfs/dbraw/zinc/69/06/12/1120690612.db2.gz DFJNVHSRXDHNJG-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736368 1120753178 /nfs/dbraw/zinc/75/31/78/1120753178.db2.gz CMIFCOXGOIQYED-QXAKKESOSA-N 2 1 328.500 3.623 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCSC4)CC[C@@H]32)cc1 ZINC000494994075 1120927744 /nfs/dbraw/zinc/92/77/44/1120927744.db2.gz JONDSFUJUXXEGL-AQNXPRMDSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCSC4)CC[C@@H]32)cc1 ZINC000494994075 1120927746 /nfs/dbraw/zinc/92/77/46/1120927746.db2.gz JONDSFUJUXXEGL-AQNXPRMDSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCSC4)CC[C@@H]32)cc1 ZINC000494994075 1120927750 /nfs/dbraw/zinc/92/77/50/1120927750.db2.gz JONDSFUJUXXEGL-AQNXPRMDSA-N 2 1 330.541 3.726 20 0 EHADMP C[N@@H+](Cc1c(F)ccc(Br)c1F)CC1CC[NH+](C)CC1 ZINC000230345266 1121001677 /nfs/dbraw/zinc/00/16/77/1121001677.db2.gz VWDADOBSRNIWAF-UHFFFAOYSA-N 2 1 347.247 3.501 20 0 EHADMP C[N@H+](Cc1c(F)ccc(Br)c1F)CC1CC[NH+](C)CC1 ZINC000230345266 1121001682 /nfs/dbraw/zinc/00/16/82/1121001682.db2.gz VWDADOBSRNIWAF-UHFFFAOYSA-N 2 1 347.247 3.501 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300530283 1121029539 /nfs/dbraw/zinc/02/95/39/1121029539.db2.gz OMGZMEXTFNTWCX-ZBFHGGJFSA-N 2 1 339.321 3.700 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717757 1121667513 /nfs/dbraw/zinc/66/75/13/1121667513.db2.gz LUXJVBRRCIPVNU-UHFFFAOYSA-N 2 1 325.294 3.579 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000393909436 1121671655 /nfs/dbraw/zinc/67/16/55/1121671655.db2.gz AOIJEKZMUSQAQU-WCIQWLHISA-N 2 1 330.541 3.630 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(Br)s1)C[NH+]1CCCCC1 ZINC000037997596 1122246903 /nfs/dbraw/zinc/24/69/03/1122246903.db2.gz SEDKWXBVGCWSPK-LBPRGKRZSA-N 2 1 331.323 3.722 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124858503 1122297558 /nfs/dbraw/zinc/29/75/58/1122297558.db2.gz OJLQLIMVLLFHIV-IRXDYDNUSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124858503 1122297563 /nfs/dbraw/zinc/29/75/63/1122297563.db2.gz OJLQLIMVLLFHIV-IRXDYDNUSA-N 2 1 335.923 3.503 20 0 EHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000126536223 1122411759 /nfs/dbraw/zinc/41/17/59/1122411759.db2.gz GYJGRISTIWMMLF-HRAATJIYSA-N 2 1 340.511 3.853 20 0 EHADMP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000917014138 1122438724 /nfs/dbraw/zinc/43/87/24/1122438724.db2.gz UOJMRFMCUISLAN-UXHICEINSA-N 2 1 330.516 3.578 20 0 EHADMP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000917014138 1122438727 /nfs/dbraw/zinc/43/87/27/1122438727.db2.gz UOJMRFMCUISLAN-UXHICEINSA-N 2 1 330.516 3.578 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000556075779 1122802764 /nfs/dbraw/zinc/80/27/64/1122802764.db2.gz FDOHHKGFVBXLSV-UXHICEINSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000556075779 1122802767 /nfs/dbraw/zinc/80/27/67/1122802767.db2.gz FDOHHKGFVBXLSV-UXHICEINSA-N 2 1 330.422 3.932 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000556126532 1122823306 /nfs/dbraw/zinc/82/33/06/1122823306.db2.gz NLWTZJAEGVORMV-JOCHJYFZSA-N 2 1 343.559 3.846 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H]1COc2ccccc21 ZINC000556117618 1122825688 /nfs/dbraw/zinc/82/56/88/1122825688.db2.gz FCOUUSXSDMIOJH-OFCAXSSNSA-N 2 1 336.479 3.976 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H]1COc2ccccc21 ZINC000556117618 1122825689 /nfs/dbraw/zinc/82/56/89/1122825689.db2.gz FCOUUSXSDMIOJH-OFCAXSSNSA-N 2 1 336.479 3.976 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498837661 1123083657 /nfs/dbraw/zinc/08/36/57/1123083657.db2.gz LXMSKXUDEDCJAU-FQEVSTJZSA-N 2 1 330.516 3.818 20 0 EHADMP Cc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498837661 1123083662 /nfs/dbraw/zinc/08/36/62/1123083662.db2.gz LXMSKXUDEDCJAU-FQEVSTJZSA-N 2 1 330.516 3.818 20 0 EHADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000072759272 1123154492 /nfs/dbraw/zinc/15/44/92/1123154492.db2.gz CTFSUCRHOJASTI-MRXNPFEDSA-N 2 1 349.544 3.543 20 0 EHADMP CSc1ccccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000072759272 1123154493 /nfs/dbraw/zinc/15/44/93/1123154493.db2.gz CTFSUCRHOJASTI-MRXNPFEDSA-N 2 1 349.544 3.543 20 0 EHADMP CSc1ccccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000072759272 1123154496 /nfs/dbraw/zinc/15/44/96/1123154496.db2.gz CTFSUCRHOJASTI-MRXNPFEDSA-N 2 1 349.544 3.543 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000556872244 1123162118 /nfs/dbraw/zinc/16/21/18/1123162118.db2.gz GYQCLUWMRWMIKK-USXIJHARSA-N 2 1 342.405 3.676 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860818 1123170474 /nfs/dbraw/zinc/17/04/74/1123170474.db2.gz DIZLRBAKGIJOLZ-SFHVURJKSA-N 2 1 348.494 3.775 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860818 1123170478 /nfs/dbraw/zinc/17/04/78/1123170478.db2.gz DIZLRBAKGIJOLZ-SFHVURJKSA-N 2 1 348.494 3.775 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860818 1123170482 /nfs/dbraw/zinc/17/04/82/1123170482.db2.gz DIZLRBAKGIJOLZ-SFHVURJKSA-N 2 1 348.494 3.775 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860818 1123170486 /nfs/dbraw/zinc/17/04/86/1123170486.db2.gz DIZLRBAKGIJOLZ-SFHVURJKSA-N 2 1 348.494 3.775 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000557014826 1123265130 /nfs/dbraw/zinc/26/51/30/1123265130.db2.gz YUECWMYLFUKPPG-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000557014826 1123265137 /nfs/dbraw/zinc/26/51/37/1123265137.db2.gz YUECWMYLFUKPPG-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000557014826 1123265140 /nfs/dbraw/zinc/26/51/40/1123265140.db2.gz YUECWMYLFUKPPG-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000557014826 1123265141 /nfs/dbraw/zinc/26/51/41/1123265141.db2.gz YUECWMYLFUKPPG-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CCSCC2)C3)cc1 ZINC000499235547 1123286575 /nfs/dbraw/zinc/28/65/75/1123286575.db2.gz GOQCBHGYARVBNE-OWZKRDHZSA-N 2 1 330.541 3.915 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440125 1123827575 /nfs/dbraw/zinc/82/75/75/1123827575.db2.gz UFMVMDVFBBBLAV-AAEUAGOBSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440125 1123827579 /nfs/dbraw/zinc/82/75/79/1123827579.db2.gz UFMVMDVFBBBLAV-AAEUAGOBSA-N 2 1 331.323 3.673 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440125 1123827587 /nfs/dbraw/zinc/82/75/87/1123827587.db2.gz UFMVMDVFBBBLAV-AAEUAGOBSA-N 2 1 331.323 3.673 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440125 1123827596 /nfs/dbraw/zinc/82/75/96/1123827596.db2.gz UFMVMDVFBBBLAV-AAEUAGOBSA-N 2 1 331.323 3.673 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245722805 1123936970 /nfs/dbraw/zinc/93/69/70/1123936970.db2.gz ICWPFWZKYYTJLM-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245722805 1123936968 /nfs/dbraw/zinc/93/69/68/1123936968.db2.gz ICWPFWZKYYTJLM-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000245895710 1123971150 /nfs/dbraw/zinc/97/11/50/1123971150.db2.gz DISFIJJQMQRLRQ-NQIIRXRSSA-N 2 1 343.559 3.757 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000245933672 1123984449 /nfs/dbraw/zinc/98/44/49/1123984449.db2.gz SWNJQTPRWPURCF-BHIYHBOVSA-N 2 1 348.556 3.897 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000245933672 1123984455 /nfs/dbraw/zinc/98/44/55/1123984455.db2.gz SWNJQTPRWPURCF-BHIYHBOVSA-N 2 1 348.556 3.897 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246509963 1124495783 /nfs/dbraw/zinc/49/57/83/1124495783.db2.gz IFEUZSPWSXEJRE-BBRMVZONSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246509963 1124495788 /nfs/dbraw/zinc/49/57/88/1124495788.db2.gz IFEUZSPWSXEJRE-BBRMVZONSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246509963 1124495790 /nfs/dbraw/zinc/49/57/90/1124495790.db2.gz IFEUZSPWSXEJRE-BBRMVZONSA-N 2 1 325.294 3.611 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000247242831 1124598813 /nfs/dbraw/zinc/59/88/13/1124598813.db2.gz ZBXPJGDBSWCFMC-ZIAGYGMSSA-N 2 1 342.430 3.679 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199650 1124645261 /nfs/dbraw/zinc/64/52/61/1124645261.db2.gz YFPYMEQGZGHALD-KBXCAEBGSA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199650 1124645264 /nfs/dbraw/zinc/64/52/64/1124645264.db2.gz YFPYMEQGZGHALD-KBXCAEBGSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199650 1124645269 /nfs/dbraw/zinc/64/52/69/1124645269.db2.gz YFPYMEQGZGHALD-KBXCAEBGSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199650 1124645270 /nfs/dbraw/zinc/64/52/70/1124645270.db2.gz YFPYMEQGZGHALD-KBXCAEBGSA-N 2 1 329.875 3.804 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000248739448 1124695739 /nfs/dbraw/zinc/69/57/39/1124695739.db2.gz CYOKFQZRFXJGAT-ICSRJNTNSA-N 2 1 338.536 3.506 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(CC)CC ZINC000181540426 1124920440 /nfs/dbraw/zinc/92/04/40/1124920440.db2.gz ZWXIYLHCKHSECB-ROUUACIJSA-N 2 1 342.487 3.649 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090551643 1124922138 /nfs/dbraw/zinc/92/21/38/1124922138.db2.gz DQHRGUYJEIPCAO-IUODEOHRSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090551643 1124922142 /nfs/dbraw/zinc/92/21/42/1124922142.db2.gz DQHRGUYJEIPCAO-IUODEOHRSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000090551643 1124922153 /nfs/dbraw/zinc/92/21/53/1124922153.db2.gz DQHRGUYJEIPCAO-IUODEOHRSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000090551643 1124922166 /nfs/dbraw/zinc/92/21/66/1124922166.db2.gz DQHRGUYJEIPCAO-IUODEOHRSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449084783 1124943214 /nfs/dbraw/zinc/94/32/14/1124943214.db2.gz YSHHTQKCKMVFJF-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449084783 1124943221 /nfs/dbraw/zinc/94/32/21/1124943221.db2.gz YSHHTQKCKMVFJF-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287718 1124974677 /nfs/dbraw/zinc/97/46/77/1124974677.db2.gz QDSXJNHCMCRCHI-SUMWQHHRSA-N 2 1 337.305 3.832 20 0 EHADMP CCc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)cc1 ZINC000091333606 1124975935 /nfs/dbraw/zinc/97/59/35/1124975935.db2.gz MDKGTVSQNKMMAT-OAQYLSRUSA-N 2 1 331.548 3.563 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644086 1125281260 /nfs/dbraw/zinc/28/12/60/1125281260.db2.gz XWLWAPIVNDPJSO-ZBFHGGJFSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644086 1125281262 /nfs/dbraw/zinc/28/12/62/1125281262.db2.gz XWLWAPIVNDPJSO-ZBFHGGJFSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644086 1125281267 /nfs/dbraw/zinc/28/12/67/1125281267.db2.gz XWLWAPIVNDPJSO-ZBFHGGJFSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644086 1125281269 /nfs/dbraw/zinc/28/12/69/1125281269.db2.gz XWLWAPIVNDPJSO-ZBFHGGJFSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683602 1125288706 /nfs/dbraw/zinc/28/87/06/1125288706.db2.gz LXNXAFDOGOGFJJ-SFHVURJKSA-N 2 1 338.499 3.693 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683602 1125288712 /nfs/dbraw/zinc/28/87/12/1125288712.db2.gz LXNXAFDOGOGFJJ-SFHVURJKSA-N 2 1 338.499 3.693 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC000154776725 1125392563 /nfs/dbraw/zinc/39/25/63/1125392563.db2.gz PSMPEYZWBQMMGP-UHFFFAOYSA-N 2 1 331.504 3.635 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000152894700 1125393450 /nfs/dbraw/zinc/39/34/50/1125393450.db2.gz JAYZKPCJVOMKBH-AZUAARDMSA-N 2 1 329.532 3.551 20 0 EHADMP CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000543202132 1129334766 /nfs/dbraw/zinc/33/47/66/1129334766.db2.gz BHAONKFOQGFOBY-SFHVURJKSA-N 2 1 338.536 3.696 20 0 EHADMP CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000543202132 1129334770 /nfs/dbraw/zinc/33/47/70/1129334770.db2.gz BHAONKFOQGFOBY-SFHVURJKSA-N 2 1 338.536 3.696 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)CC2 ZINC000479334891 1129354481 /nfs/dbraw/zinc/35/44/81/1129354481.db2.gz JYUMSRAHSCSZRX-LJQANCHMSA-N 2 1 346.515 3.935 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)CC2 ZINC000479334891 1129354486 /nfs/dbraw/zinc/35/44/86/1129354486.db2.gz JYUMSRAHSCSZRX-LJQANCHMSA-N 2 1 346.515 3.935 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000466470658 1129474737 /nfs/dbraw/zinc/47/47/37/1129474737.db2.gz AHUYNTDHUCTITB-IRLDBZIGSA-N 2 1 344.543 3.939 20 0 EHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C(C)=C\c3ccccc3)C2)[C@@H]1C(C)C ZINC000922392773 1129517720 /nfs/dbraw/zinc/51/77/20/1129517720.db2.gz NWUDGOHDUHZMHT-YIPSTWEESA-N 2 1 342.527 3.549 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000657861911 1129584575 /nfs/dbraw/zinc/58/45/75/1129584575.db2.gz AKIHCYPFYCOSIE-SNVBAGLBSA-N 2 1 342.668 3.958 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(OC)cc(F)cc2OC)c1 ZINC000631065840 1129645344 /nfs/dbraw/zinc/64/53/44/1129645344.db2.gz UXPBSFPLEFMBJB-UHFFFAOYSA-N 2 1 346.446 3.584 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(OC)cc(F)cc2OC)c1 ZINC000631065840 1129645347 /nfs/dbraw/zinc/64/53/47/1129645347.db2.gz UXPBSFPLEFMBJB-UHFFFAOYSA-N 2 1 346.446 3.584 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436826 1129712180 /nfs/dbraw/zinc/71/21/80/1129712180.db2.gz JMBYTPBKYHMVNP-PGRDOPGGSA-N 2 1 338.470 3.967 20 0 EHADMP CCO[C@@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000625131367 1129741022 /nfs/dbraw/zinc/74/10/22/1129741022.db2.gz MNLJZXWOEGSNAQ-NRFANRHFSA-N 2 1 330.516 3.646 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000785476398 1130301708 /nfs/dbraw/zinc/30/17/08/1130301708.db2.gz COYFKGXKGSLRMV-MAUKXSAKSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000785476398 1130301712 /nfs/dbraw/zinc/30/17/12/1130301712.db2.gz COYFKGXKGSLRMV-MAUKXSAKSA-N 2 1 333.476 3.763 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675751914 1130464917 /nfs/dbraw/zinc/46/49/17/1130464917.db2.gz GICVILLEJITLCM-UXPWSPDFSA-N 2 1 343.515 3.744 20 0 EHADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675880902 1130500121 /nfs/dbraw/zinc/50/01/21/1130500121.db2.gz IQIPREPRDRMYKP-UTKZUKDTSA-N 2 1 346.515 3.769 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536838553 1130594997 /nfs/dbraw/zinc/59/49/97/1130594997.db2.gz HWGGKCNKIMAWJL-JZWVFAODSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536838553 1130595003 /nfs/dbraw/zinc/59/50/03/1130595003.db2.gz HWGGKCNKIMAWJL-JZWVFAODSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838553 1130595005 /nfs/dbraw/zinc/59/50/05/1130595005.db2.gz HWGGKCNKIMAWJL-JZWVFAODSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838553 1130595010 /nfs/dbraw/zinc/59/50/10/1130595010.db2.gz HWGGKCNKIMAWJL-JZWVFAODSA-N 2 1 349.522 3.816 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000347972678 1131099795 /nfs/dbraw/zinc/09/97/95/1131099795.db2.gz YMKFCQGRMGFXJY-BZSNNMDCSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000347972678 1131099800 /nfs/dbraw/zinc/09/98/00/1131099800.db2.gz YMKFCQGRMGFXJY-BZSNNMDCSA-N 2 1 343.515 3.565 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001172453452 1131748720 /nfs/dbraw/zinc/74/87/20/1131748720.db2.gz XWLQEXFKFOQKOC-GOSISDBHSA-N 2 1 334.504 3.771 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172578225 1131790255 /nfs/dbraw/zinc/79/02/55/1131790255.db2.gz OHJGBYJWQWAQJQ-GFCCVEGCSA-N 2 1 339.817 3.694 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172578225 1131790259 /nfs/dbraw/zinc/79/02/59/1131790259.db2.gz OHJGBYJWQWAQJQ-GFCCVEGCSA-N 2 1 339.817 3.694 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)[C@H]2C1 ZINC001204090897 1131792853 /nfs/dbraw/zinc/79/28/53/1131792853.db2.gz YVXRBOQICDCJRV-CQDKDKBSSA-N 2 1 332.797 3.789 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718546 1131819891 /nfs/dbraw/zinc/81/98/91/1131819891.db2.gz VYHDBFIGLDDQMO-IBGZPJMESA-N 2 1 344.861 3.896 20 0 EHADMP CCC(CC)[N@@H+]([C@H](C)CCC(=O)OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172753667 1131835510 /nfs/dbraw/zinc/83/55/10/1131835510.db2.gz VCAUMGOFBLRLMF-JFIYKMOQSA-N 2 1 326.525 3.867 20 0 EHADMP Cc1ccc2c(c1)C[C@H](N(c1[nH+]cccc1C)C1CC[NH2+]CC1)CC2 ZINC001172836281 1131857517 /nfs/dbraw/zinc/85/75/17/1131857517.db2.gz AGNGPJNJORLHQD-OAQYLSRUSA-N 2 1 335.495 3.814 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172945459 1131915169 /nfs/dbraw/zinc/91/51/69/1131915169.db2.gz PZVBKKDYJPQIDQ-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945459 1131915175 /nfs/dbraw/zinc/91/51/75/1131915175.db2.gz PZVBKKDYJPQIDQ-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945459 1131915180 /nfs/dbraw/zinc/91/51/80/1131915180.db2.gz PZVBKKDYJPQIDQ-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174136 1131991053 /nfs/dbraw/zinc/99/10/53/1131991053.db2.gz IGWJJYCTLSCMRL-JBACZVJFSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174136 1131991058 /nfs/dbraw/zinc/99/10/58/1131991058.db2.gz IGWJJYCTLSCMRL-JBACZVJFSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174136 1131991061 /nfs/dbraw/zinc/99/10/61/1131991061.db2.gz IGWJJYCTLSCMRL-JBACZVJFSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001173278740 1132039700 /nfs/dbraw/zinc/03/97/00/1132039700.db2.gz IMEMTNYJZAJRSL-CTNGQTDRSA-N 2 1 342.527 3.932 20 0 EHADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001173457655 1132082303 /nfs/dbraw/zinc/08/23/03/1132082303.db2.gz NLOJHEKOMVLJPD-UYAOXDASSA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173457655 1132082308 /nfs/dbraw/zinc/08/23/08/1132082308.db2.gz NLOJHEKOMVLJPD-UYAOXDASSA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173457655 1132082313 /nfs/dbraw/zinc/08/23/13/1132082313.db2.gz NLOJHEKOMVLJPD-UYAOXDASSA-N 2 1 346.515 3.562 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173630828 1132110205 /nfs/dbraw/zinc/11/02/05/1132110205.db2.gz RYRRWRYIIQYOIR-QZTJIDSGSA-N 2 1 326.525 3.600 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC001173793268 1132150526 /nfs/dbraw/zinc/15/05/26/1132150526.db2.gz UYZNSCTUSGGSKM-JOJBYVFGSA-N 2 1 344.499 3.568 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC001173793268 1132150530 /nfs/dbraw/zinc/15/05/30/1132150530.db2.gz UYZNSCTUSGGSKM-JOJBYVFGSA-N 2 1 344.499 3.568 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000381145697 1132473503 /nfs/dbraw/zinc/47/35/03/1132473503.db2.gz VYPSVHMDRVZRDC-PCCBWWKXSA-N 2 1 342.527 3.836 20 0 EHADMP c1cc(C[N@H+]2CCOCC23CCCC3)ccc1C[NH+]1CCCCC1 ZINC001168925420 1132598268 /nfs/dbraw/zinc/59/82/68/1132598268.db2.gz OQQFDVFQEVIGED-UHFFFAOYSA-N 2 1 328.500 3.818 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094422 1132653164 /nfs/dbraw/zinc/65/31/64/1132653164.db2.gz LKDQPZOIHQNSMG-PDOICOKGSA-N 2 1 347.934 3.692 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001169122590 1132663090 /nfs/dbraw/zinc/66/30/90/1132663090.db2.gz ATTIIXJQESDGEE-QEOTZNIISA-N 2 1 335.289 3.520 20 0 EHADMP COc1ccc(CC2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001169119056 1132663867 /nfs/dbraw/zinc/66/38/67/1132663867.db2.gz PMKVWFQFJFYBKJ-REPLKXPHSA-N 2 1 328.500 3.623 20 0 EHADMP COc1cccc2c1CC[C@H](CCC[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169119363 1132663939 /nfs/dbraw/zinc/66/39/39/1132663939.db2.gz RXELAMFSYWGHTJ-FRYIKTPZSA-N 2 1 342.527 3.795 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(C)(C)C)cc3)CC1)C2 ZINC001169153252 1132679626 /nfs/dbraw/zinc/67/96/26/1132679626.db2.gz IIOBKNFHEJJADJ-AERCQKQUSA-N 2 1 341.543 3.731 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(C)(C)C)cc3)CC1)C2 ZINC001169153252 1132679630 /nfs/dbraw/zinc/67/96/30/1132679630.db2.gz IIOBKNFHEJJADJ-AERCQKQUSA-N 2 1 341.543 3.731 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206003138 1132682039 /nfs/dbraw/zinc/68/20/39/1132682039.db2.gz FIXKBGLTTNHPPI-HIFRSBDPSA-N 2 1 325.294 3.564 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206005513 1132707330 /nfs/dbraw/zinc/70/73/30/1132707330.db2.gz YJEJAQXBINYXGA-ZIAGYGMSSA-N 2 1 325.294 3.564 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206005512 1132707904 /nfs/dbraw/zinc/70/79/04/1132707904.db2.gz YJEJAQXBINYXGA-UONOGXRCSA-N 2 1 325.294 3.564 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206022487 1132874564 /nfs/dbraw/zinc/87/45/64/1132874564.db2.gz CHQUHACGRLGKJX-GJZGRUSLSA-N 2 1 339.321 3.873 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206025690 1132905129 /nfs/dbraw/zinc/90/51/29/1132905129.db2.gz PBLJLVYUONUWQA-JSGCOSHPSA-N 2 1 325.294 3.564 20 0 EHADMP CCC[NH+](CCC)c1ccc(Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC001176447836 1132936800 /nfs/dbraw/zinc/93/68/00/1132936800.db2.gz VOULSSGGPNFQGF-UHFFFAOYSA-N 2 1 329.492 3.815 20 0 EHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC001177104492 1133030873 /nfs/dbraw/zinc/03/08/73/1133030873.db2.gz UHMHMNSMUYUXRQ-QYZOEREBSA-N 2 1 349.588 3.841 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC000767923284 1133067952 /nfs/dbraw/zinc/06/79/52/1133067952.db2.gz WVTWGSZHLZJGON-XHDPSFHLSA-N 2 1 345.712 3.922 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)ccc2Br)CC1 ZINC001206305227 1133077954 /nfs/dbraw/zinc/07/79/54/1133077954.db2.gz WSTZAHCJBOXKEK-HNNXBMFYSA-N 2 1 329.257 3.539 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768104407 1133095655 /nfs/dbraw/zinc/09/56/55/1133095655.db2.gz JUUUJDKBBOEWIH-POAQFYNOSA-N 2 1 328.500 3.776 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206311842 1133118308 /nfs/dbraw/zinc/11/83/08/1133118308.db2.gz VTIXLSDOMWFHQW-MRXNPFEDSA-N 2 1 325.294 3.708 20 0 EHADMP C[C@H](CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001178463613 1133170962 /nfs/dbraw/zinc/17/09/62/1133170962.db2.gz RZHVDXORYYPICJ-SBHAEUEKSA-N 2 1 329.532 3.676 20 0 EHADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC001178916585 1133211909 /nfs/dbraw/zinc/21/19/09/1133211909.db2.gz ILQHOZZRDWEEDA-CYBMUJFWSA-N 2 1 343.284 3.718 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC001179338120 1133245943 /nfs/dbraw/zinc/24/59/43/1133245943.db2.gz CESBJQIGAWMRAU-NQIIRXRSSA-N 2 1 338.495 3.861 20 0 EHADMP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484835 1133289125 /nfs/dbraw/zinc/28/91/25/1133289125.db2.gz MEPQOVCEJGDZIP-XHDPSFHLSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484835 1133289129 /nfs/dbraw/zinc/28/91/29/1133289129.db2.gz MEPQOVCEJGDZIP-XHDPSFHLSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484835 1133289134 /nfs/dbraw/zinc/28/91/34/1133289134.db2.gz MEPQOVCEJGDZIP-XHDPSFHLSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484835 1133289137 /nfs/dbraw/zinc/28/91/37/1133289137.db2.gz MEPQOVCEJGDZIP-XHDPSFHLSA-N 2 1 332.517 3.531 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2N2CCCCC2)C[C@H]1C ZINC000769471615 1133297832 /nfs/dbraw/zinc/29/78/32/1133297832.db2.gz WQFQYQBIYYTENM-UYAOXDASSA-N 2 1 329.532 3.982 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)C[C@H]1C ZINC000769471615 1133297834 /nfs/dbraw/zinc/29/78/34/1133297834.db2.gz WQFQYQBIYYTENM-UYAOXDASSA-N 2 1 329.532 3.982 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)C[C@H]1C ZINC000769471615 1133297842 /nfs/dbraw/zinc/29/78/42/1133297842.db2.gz WQFQYQBIYYTENM-UYAOXDASSA-N 2 1 329.532 3.982 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000769497693 1133301103 /nfs/dbraw/zinc/30/11/03/1133301103.db2.gz ZWWHLBCTSCGVLP-IRXDYDNUSA-N 2 1 346.515 3.789 20 0 EHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC001180224912 1133346367 /nfs/dbraw/zinc/34/63/67/1133346367.db2.gz KOOMSIAPYZWLFM-UHFFFAOYSA-N 2 1 340.467 3.776 20 0 EHADMP Cc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351042 1133418547 /nfs/dbraw/zinc/41/85/47/1133418547.db2.gz IBEGHYBSTKLXFP-CVEARBPZSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351042 1133418549 /nfs/dbraw/zinc/41/85/49/1133418549.db2.gz IBEGHYBSTKLXFP-CVEARBPZSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351042 1133418551 /nfs/dbraw/zinc/41/85/51/1133418551.db2.gz IBEGHYBSTKLXFP-CVEARBPZSA-N 2 1 344.528 3.533 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC001180809103 1133418640 /nfs/dbraw/zinc/41/86/40/1133418640.db2.gz AEOBBWOWOFLRGW-SFTDATJTSA-N 2 1 342.527 3.846 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534529 1133498545 /nfs/dbraw/zinc/49/85/45/1133498545.db2.gz MGGRYHJRAKUGQI-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534529 1133498548 /nfs/dbraw/zinc/49/85/48/1133498548.db2.gz MGGRYHJRAKUGQI-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534529 1133498549 /nfs/dbraw/zinc/49/85/49/1133498549.db2.gz MGGRYHJRAKUGQI-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCC2(C)OCCO2)cc1 ZINC000774383914 1133667660 /nfs/dbraw/zinc/66/76/60/1133667660.db2.gz MQIQSRHDHCGCNA-MRXNPFEDSA-N 2 1 343.471 3.765 20 0 EHADMP CC[C@@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698311 1133843147 /nfs/dbraw/zinc/84/31/47/1133843147.db2.gz XWQKACFHFPSSOM-WLRLJWMZSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@@H](C)[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698311 1133843150 /nfs/dbraw/zinc/84/31/50/1133843150.db2.gz XWQKACFHFPSSOM-WLRLJWMZSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@@H](C)[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698311 1133843153 /nfs/dbraw/zinc/84/31/53/1133843153.db2.gz XWQKACFHFPSSOM-WLRLJWMZSA-N 2 1 330.516 3.501 20 0 EHADMP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288995 1133886832 /nfs/dbraw/zinc/88/68/32/1133886832.db2.gz QXLXCIZSQXNXIQ-MRXNPFEDSA-N 2 1 325.294 3.715 20 0 EHADMP CCc1cc(Br)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288995 1133886839 /nfs/dbraw/zinc/88/68/39/1133886839.db2.gz QXLXCIZSQXNXIQ-MRXNPFEDSA-N 2 1 325.294 3.715 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774988294 1134177857 /nfs/dbraw/zinc/17/78/57/1134177857.db2.gz ZFULOGGBGOKZPC-AWEZNQCLSA-N 2 1 325.294 3.579 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cn1 ZINC000788987989 1134201179 /nfs/dbraw/zinc/20/11/79/1134201179.db2.gz OQWMARBERDYDSC-ZDUSSCGKSA-N 2 1 334.414 3.879 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2Br)CCC[C@H]1C[NH3+] ZINC001206037459 1134338725 /nfs/dbraw/zinc/33/87/25/1134338725.db2.gz VQPUBVFTMRTOJQ-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001170141662 1134447876 /nfs/dbraw/zinc/44/78/76/1134447876.db2.gz ZFBSTLGDZALHST-IAGOWNOFSA-N 2 1 334.529 3.604 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000790750693 1134462095 /nfs/dbraw/zinc/46/20/95/1134462095.db2.gz QVTVAYUPVUYTLK-KRWDZBQOSA-N 2 1 326.488 3.645 20 0 EHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CC[C@@H](C)C4)CC3)C2)cc1 ZINC001170145860 1134480668 /nfs/dbraw/zinc/48/06/68/1134480668.db2.gz WNTZYCGHXHULCI-CTNGQTDRSA-N 2 1 342.527 3.850 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000076478710 1134528944 /nfs/dbraw/zinc/52/89/44/1134528944.db2.gz ZCQKODJRAUWEJC-KRWDZBQOSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CCC[N@@H+]2CC)ccc1OC ZINC000775363937 1134666998 /nfs/dbraw/zinc/66/69/98/1134666998.db2.gz KQZUQEOSUVBPCU-YLJYHZDGSA-N 3 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CCC[N@H+]2CC)ccc1OC ZINC000775363937 1134667001 /nfs/dbraw/zinc/66/70/01/1134667001.db2.gz KQZUQEOSUVBPCU-YLJYHZDGSA-N 3 1 347.547 3.672 20 0 EHADMP CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912405 1134768889 /nfs/dbraw/zinc/76/88/89/1134768889.db2.gz CGHMPOZIYZCOAJ-ZWKOTPCHSA-N 2 1 330.516 3.918 20 0 EHADMP CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912405 1134768894 /nfs/dbraw/zinc/76/88/94/1134768894.db2.gz CGHMPOZIYZCOAJ-ZWKOTPCHSA-N 2 1 330.516 3.918 20 0 EHADMP C[C@@H](O)CC[N@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078252 1134789633 /nfs/dbraw/zinc/78/96/33/1134789633.db2.gz RFAUMBOCCXFWQI-DENIHFKCSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@@H](O)CC[N@@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078252 1134789636 /nfs/dbraw/zinc/78/96/36/1134789636.db2.gz RFAUMBOCCXFWQI-DENIHFKCSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@@H](O)CC[NH+](C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078252 1134789642 /nfs/dbraw/zinc/78/96/42/1134789642.db2.gz RFAUMBOCCXFWQI-DENIHFKCSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@@H](O)CC[NH+](C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078252 1134789646 /nfs/dbraw/zinc/78/96/46/1134789646.db2.gz RFAUMBOCCXFWQI-DENIHFKCSA-N 2 1 340.511 3.605 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n(C)n1 ZINC000793523044 1134945744 /nfs/dbraw/zinc/94/57/44/1134945744.db2.gz HNZCXOXAJPLYFD-QZTJIDSGSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793548485 1134954512 /nfs/dbraw/zinc/95/45/12/1134954512.db2.gz MKBNIICUHGYAAD-CMKODMSKSA-N 2 1 340.515 3.680 20 0 EHADMP C[C@@H]1CCOCC[NH+]1CCCCCCCC[N@@H+]1CCOCC[C@H]1C ZINC000775568475 1135095599 /nfs/dbraw/zinc/09/55/99/1135095599.db2.gz UJQPVOOAGIJUQL-WOJBJXKFSA-N 2 1 340.552 3.549 20 0 EHADMP CCc1sc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205638012 1135153150 /nfs/dbraw/zinc/15/31/50/1135153150.db2.gz KILBICYGZLQWRW-RYUDHWBXSA-N 2 1 345.350 3.880 20 0 EHADMP CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000716732686 1135180482 /nfs/dbraw/zinc/18/04/82/1135180482.db2.gz QIGBKCMCOPLEAZ-JKLQHZFJSA-N 2 1 342.527 3.834 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccccc1C(F)(F)F ZINC001193850202 1135195259 /nfs/dbraw/zinc/19/52/59/1135195259.db2.gz VTAWXFSHPXUGJD-UHFFFAOYSA-N 2 1 330.394 3.502 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccccc1C(F)(F)F ZINC001193850202 1135195262 /nfs/dbraw/zinc/19/52/62/1135195262.db2.gz VTAWXFSHPXUGJD-UHFFFAOYSA-N 2 1 330.394 3.502 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000775635282 1135365089 /nfs/dbraw/zinc/36/50/89/1135365089.db2.gz VDJRGCDWJCSVDI-SCTDSRPQSA-N 2 1 343.515 3.956 20 0 EHADMP C[C@@]12C[NH+](CCCc3cccnc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001196962941 1135634792 /nfs/dbraw/zinc/63/47/92/1135634792.db2.gz VVAZWRNGNLFQBQ-GOTSBHOMSA-N 2 1 349.522 3.858 20 0 EHADMP CO[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC001203243538 1135804068 /nfs/dbraw/zinc/80/40/68/1135804068.db2.gz PLEOVQSUKNVAMM-HXUWFJFHSA-N 2 1 332.532 3.939 20 0 EHADMP COc1ccc([C@@H](C)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809737114 1135882113 /nfs/dbraw/zinc/88/21/13/1135882113.db2.gz DQTIGBKUGJPACV-KRWDZBQOSA-N 2 1 326.484 3.992 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc(-c3ccccc3)nc2)cc1 ZINC000809737119 1135882237 /nfs/dbraw/zinc/88/22/37/1135882237.db2.gz DRHRJHCKOXQFDP-UHFFFAOYSA-N 2 1 346.478 3.837 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc(-c3ccccc3)nc2)cc1 ZINC000809737119 1135882240 /nfs/dbraw/zinc/88/22/40/1135882240.db2.gz DRHRJHCKOXQFDP-UHFFFAOYSA-N 2 1 346.478 3.837 20 0 EHADMP COc1nc2ccccc2cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738745 1135883113 /nfs/dbraw/zinc/88/31/13/1135883113.db2.gz HPZWQMBHDCXNTA-UHFFFAOYSA-N 2 1 349.478 3.937 20 0 EHADMP COc1nc2ccccc2cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738745 1135883115 /nfs/dbraw/zinc/88/31/15/1135883115.db2.gz HPZWQMBHDCXNTA-UHFFFAOYSA-N 2 1 349.478 3.937 20 0 EHADMP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1 ZINC001199328633 1135898314 /nfs/dbraw/zinc/89/83/14/1135898314.db2.gz CCJIUHBAPUNLHR-UGKGYDQZSA-N 2 1 343.559 3.883 20 0 EHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)CC1 ZINC001199770325 1135927608 /nfs/dbraw/zinc/92/76/08/1135927608.db2.gz YJZFBCAAXKUUJT-UHFFFAOYSA-N 2 1 328.500 3.642 20 0 EHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CCCc4ccccc4)C[C@H]3C2)c1 ZINC001201655059 1136052665 /nfs/dbraw/zinc/05/26/65/1136052665.db2.gz LFXCHRCZPYWPKB-OALUTQOASA-N 2 1 326.509 3.745 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2nccn2C)ccc1OC ZINC000850572679 1136289378 /nfs/dbraw/zinc/28/93/78/1136289378.db2.gz NPDOGILAVDOMRV-HOTGVXAUSA-N 2 1 344.503 3.682 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnn(C)c3Cl)c2)CC1 ZINC000815123446 1136553325 /nfs/dbraw/zinc/55/33/25/1136553325.db2.gz IDNSBUVDDLRYQP-UHFFFAOYSA-N 2 1 346.906 3.595 20 0 EHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000815554893 1136610321 /nfs/dbraw/zinc/61/03/21/1136610321.db2.gz LFMHJAJAAXCELO-QGZVFWFLSA-N 2 1 342.458 3.817 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C)CC(C)C)C2)ccn1 ZINC000856551243 1136794396 /nfs/dbraw/zinc/79/43/96/1136794396.db2.gz NRGKPGXPDSVMEG-YLJYHZDGSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](C)CC(C)C)C2)ccn1 ZINC000856551243 1136794399 /nfs/dbraw/zinc/79/43/99/1136794399.db2.gz NRGKPGXPDSVMEG-YLJYHZDGSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)ccn1 ZINC000856551243 1136794403 /nfs/dbraw/zinc/79/44/03/1136794403.db2.gz NRGKPGXPDSVMEG-YLJYHZDGSA-N 2 1 333.520 3.669 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)ccn1 ZINC000856556421 1136795150 /nfs/dbraw/zinc/79/51/50/1136795150.db2.gz WPXBIHLOFKEZDZ-GOSISDBHSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000856556421 1136795151 /nfs/dbraw/zinc/79/51/51/1136795151.db2.gz WPXBIHLOFKEZDZ-GOSISDBHSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000856556421 1136795153 /nfs/dbraw/zinc/79/51/53/1136795153.db2.gz WPXBIHLOFKEZDZ-GOSISDBHSA-N 2 1 345.512 3.557 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC3CCC3)C2)ccn1 ZINC000856605880 1136799116 /nfs/dbraw/zinc/79/91/16/1136799116.db2.gz GPABIDJNFQJLFZ-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC3CCC3)C2)ccn1 ZINC000856605880 1136799118 /nfs/dbraw/zinc/79/91/18/1136799118.db2.gz GPABIDJNFQJLFZ-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC3CCC3)C2)ccn1 ZINC000856605880 1136799120 /nfs/dbraw/zinc/79/91/20/1136799120.db2.gz GPABIDJNFQJLFZ-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000817894625 1136844069 /nfs/dbraw/zinc/84/40/69/1136844069.db2.gz NYRUIJZVJOGEDG-DGCLKSJQSA-N 2 1 326.469 3.870 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](O)c1c(F)cccc1Cl ZINC000817919982 1136846311 /nfs/dbraw/zinc/84/63/11/1136846311.db2.gz XYEITMNTZSKEQU-DSFUJIIMSA-N 2 1 334.822 3.635 20 0 EHADMP CCCCn1nc(C)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1Cl ZINC000818431400 1136877327 /nfs/dbraw/zinc/87/73/27/1136877327.db2.gz LALUFJUZDMITPN-CQSZACIVSA-N 2 1 338.927 3.609 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000819078930 1136911461 /nfs/dbraw/zinc/91/14/61/1136911461.db2.gz OFVGTFDFFWSYHN-PGRDOPGGSA-N 2 1 338.495 3.844 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000819126042 1136916615 /nfs/dbraw/zinc/91/66/15/1136916615.db2.gz NQUIMOGPNCCGNO-KRWDZBQOSA-N 2 1 330.875 3.611 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000819125651 1136916649 /nfs/dbraw/zinc/91/66/49/1136916649.db2.gz GWTYJUDLXMJBOA-GHTZIAJQSA-N 2 1 326.484 3.529 20 0 EHADMP COC1(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000339012509 1136983955 /nfs/dbraw/zinc/98/39/55/1136983955.db2.gz WLDGXDLAEVLXFU-OAQYLSRUSA-N 2 1 342.527 3.934 20 0 EHADMP COC1(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000339012509 1136983956 /nfs/dbraw/zinc/98/39/56/1136983956.db2.gz WLDGXDLAEVLXFU-OAQYLSRUSA-N 2 1 342.527 3.934 20 0 EHADMP COC1(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000339012509 1136983958 /nfs/dbraw/zinc/98/39/58/1136983958.db2.gz WLDGXDLAEVLXFU-OAQYLSRUSA-N 2 1 342.527 3.934 20 0 EHADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820810125 1137005103 /nfs/dbraw/zinc/00/51/03/1137005103.db2.gz PKGVMCGAMJLULC-CROMKPASSA-N 2 1 344.543 3.959 20 0 EHADMP Cc1c(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccnc1F ZINC000862284578 1137137146 /nfs/dbraw/zinc/13/71/46/1137137146.db2.gz KHZLESIYPPTKSG-HZPDHXFCSA-N 2 1 341.474 3.775 20 0 EHADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171063104 1137149781 /nfs/dbraw/zinc/14/97/81/1137149781.db2.gz LNSDPAVVLGSODZ-HUUCEWRRSA-N 2 1 327.299 3.925 20 0 EHADMP C[N@H+]1CC[C@H](c2ccc(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)cc2)C1 ZINC001171098878 1137194343 /nfs/dbraw/zinc/19/43/43/1137194343.db2.gz IZWVKQNHUJTVIV-ROUUACIJSA-N 2 1 345.490 3.866 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(O)c4C)C[C@H]3C2)cc1 ZINC001144113190 1137239635 /nfs/dbraw/zinc/23/96/35/1137239635.db2.gz YVCCWBADJWFVCC-NHCUHLMSSA-N 2 1 336.479 3.573 20 0 EHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001171171329 1137281993 /nfs/dbraw/zinc/28/19/93/1137281993.db2.gz FTJHDBZILISGDD-IIDMSEBBSA-N 2 1 339.310 3.734 20 0 EHADMP Cc1c(Cl)cccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000865624336 1137299647 /nfs/dbraw/zinc/29/96/47/1137299647.db2.gz YECYPPFJSRUFPP-IBGZPJMESA-N 2 1 344.886 3.505 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866237124 1137337565 /nfs/dbraw/zinc/33/75/65/1137337565.db2.gz HNONXWJSWHDTLP-LJQANCHMSA-N 2 1 337.511 3.965 20 0 EHADMP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846219027 1137342114 /nfs/dbraw/zinc/34/21/14/1137342114.db2.gz DBCPIIKPSQOVJC-MRXNPFEDSA-N 2 1 330.394 3.598 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846219027 1137342116 /nfs/dbraw/zinc/34/21/16/1137342116.db2.gz DBCPIIKPSQOVJC-MRXNPFEDSA-N 2 1 330.394 3.598 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716629470 1137488005 /nfs/dbraw/zinc/48/80/05/1137488005.db2.gz YZLPSCPACALVTR-UDDWMFPDSA-N 2 1 335.495 3.655 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624453 1137488044 /nfs/dbraw/zinc/48/80/44/1137488044.db2.gz GZSZADFCHFIINI-KSZLIROESA-N 2 1 327.497 3.594 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657155 1137488100 /nfs/dbraw/zinc/48/81/00/1137488100.db2.gz SXOKAGNCPLERKT-DKIMLUQUSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657155 1137488101 /nfs/dbraw/zinc/48/81/01/1137488101.db2.gz SXOKAGNCPLERKT-DKIMLUQUSA-N 2 1 327.497 3.847 20 0 EHADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505019 1137494902 /nfs/dbraw/zinc/49/49/02/1137494902.db2.gz BVNLSYRELFXEKF-OAHLLOKOSA-N 2 1 340.433 3.945 20 0 EHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC001171628966 1137499852 /nfs/dbraw/zinc/49/98/52/1137499852.db2.gz NGVOAMZWSRFGPO-UHFFFAOYSA-N 2 1 347.522 3.595 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1(C)C ZINC001171635951 1137504348 /nfs/dbraw/zinc/50/43/48/1137504348.db2.gz ACUOQJUGBQXDDF-UHFFFAOYSA-N 2 1 345.531 3.714 20 0 EHADMP Cc1cccc(O[C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640653 1137504794 /nfs/dbraw/zinc/50/47/94/1137504794.db2.gz IQGVXOJVRDKPPX-SFHVURJKSA-N 2 1 345.531 3.885 20 0 EHADMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725228 1137506142 /nfs/dbraw/zinc/50/61/42/1137506142.db2.gz IAJXRBHQUOTXCA-CJNGLKHVSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725228 1137506144 /nfs/dbraw/zinc/50/61/44/1137506144.db2.gz IAJXRBHQUOTXCA-CJNGLKHVSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727604 1137506663 /nfs/dbraw/zinc/50/66/63/1137506663.db2.gz XARBHEMEKKTZCN-SOLBZPMBSA-N 2 1 334.467 3.892 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732485 1137507247 /nfs/dbraw/zinc/50/72/47/1137507247.db2.gz BBCONVFNFHQVSF-AVRDEDQJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CN1Cc1ccccc1 ZINC001171732485 1137507248 /nfs/dbraw/zinc/50/72/48/1137507248.db2.gz BBCONVFNFHQVSF-AVRDEDQJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742723 1137511454 /nfs/dbraw/zinc/51/14/54/1137511454.db2.gz YYJXQWFXFZOSQP-JHMKDJTOSA-N 2 1 341.543 3.774 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968035 1137520872 /nfs/dbraw/zinc/52/08/72/1137520872.db2.gz NZAFHQXFEFQLKH-IBGZPJMESA-N 2 1 332.532 3.818 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171967227 1137520925 /nfs/dbraw/zinc/52/09/25/1137520925.db2.gz YJDDRDVDSMRCAO-NHCUHLMSSA-N 2 1 338.495 3.753 20 0 EHADMP C[N@H+]1CCC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971726 1137523662 /nfs/dbraw/zinc/52/36/62/1137523662.db2.gz JOQRKBLPEMAAOS-UXHICEINSA-N 3 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971726 1137523663 /nfs/dbraw/zinc/52/36/63/1137523663.db2.gz JOQRKBLPEMAAOS-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971726 1137523665 /nfs/dbraw/zinc/52/36/65/1137523665.db2.gz JOQRKBLPEMAAOS-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@@H+]1Cc1ccccc1 ZINC001171972641 1137524156 /nfs/dbraw/zinc/52/41/56/1137524156.db2.gz RVUBLCHQWLVCNI-NRFANRHFSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1Cc1ccccc1 ZINC001171972641 1137524158 /nfs/dbraw/zinc/52/41/58/1137524158.db2.gz RVUBLCHQWLVCNI-NRFANRHFSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171974396 1137524587 /nfs/dbraw/zinc/52/45/87/1137524587.db2.gz FNPSEHXQJALFAF-GOSISDBHSA-N 2 1 327.447 3.754 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001171974396 1137524588 /nfs/dbraw/zinc/52/45/88/1137524588.db2.gz FNPSEHXQJALFAF-GOSISDBHSA-N 2 1 327.447 3.754 20 0 EHADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975506 1137524923 /nfs/dbraw/zinc/52/49/23/1137524923.db2.gz DPVBYUGADSEVSM-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975506 1137524924 /nfs/dbraw/zinc/52/49/24/1137524924.db2.gz DPVBYUGADSEVSM-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975506 1137524926 /nfs/dbraw/zinc/52/49/26/1137524926.db2.gz DPVBYUGADSEVSM-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975506 1137524927 /nfs/dbraw/zinc/52/49/27/1137524927.db2.gz DPVBYUGADSEVSM-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976141 1137525382 /nfs/dbraw/zinc/52/53/82/1137525382.db2.gz PVQKFOQNYWUAQO-PWRODBHTSA-N 2 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976141 1137525383 /nfs/dbraw/zinc/52/53/83/1137525383.db2.gz PVQKFOQNYWUAQO-PWRODBHTSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976141 1137525384 /nfs/dbraw/zinc/52/53/84/1137525384.db2.gz PVQKFOQNYWUAQO-PWRODBHTSA-N 3 1 343.559 3.892 20 0 EHADMP CC(C)O[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983784 1137527110 /nfs/dbraw/zinc/52/71/10/1137527110.db2.gz AMSDDMREWCUEDR-VQTJNVASSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983784 1137527111 /nfs/dbraw/zinc/52/71/11/1137527111.db2.gz AMSDDMREWCUEDR-VQTJNVASSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983784 1137527113 /nfs/dbraw/zinc/52/71/13/1137527113.db2.gz AMSDDMREWCUEDR-VQTJNVASSA-N 2 1 330.516 3.929 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCOC2)C3)cc1 ZINC001172061146 1137529206 /nfs/dbraw/zinc/52/92/06/1137529206.db2.gz FTLZBHWVCOOXBB-XSDIEEQYSA-N 2 1 328.500 3.588 20 0 EHADMP COC(CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC001172076820 1137530744 /nfs/dbraw/zinc/53/07/44/1137530744.db2.gz MESWAJNADZHOTD-ACDBMABISA-N 2 1 346.515 3.561 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084440 1137531401 /nfs/dbraw/zinc/53/14/01/1137531401.db2.gz XUWZMPXGEPVSTR-WIYBCGNWSA-N 2 1 340.511 3.825 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084440 1137531403 /nfs/dbraw/zinc/53/14/03/1137531403.db2.gz XUWZMPXGEPVSTR-WIYBCGNWSA-N 2 1 340.511 3.825 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172084440 1137531405 /nfs/dbraw/zinc/53/14/05/1137531405.db2.gz XUWZMPXGEPVSTR-WIYBCGNWSA-N 2 1 340.511 3.825 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172084440 1137531406 /nfs/dbraw/zinc/53/14/06/1137531406.db2.gz XUWZMPXGEPVSTR-WIYBCGNWSA-N 2 1 340.511 3.825 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCC2CCOCC2)C3)cc1 ZINC001172064491 1137533147 /nfs/dbraw/zinc/53/31/47/1137533147.db2.gz GOHJNHGNUNZUQS-KOUNCHBCSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068812 1137534610 /nfs/dbraw/zinc/53/46/10/1137534610.db2.gz LCCJKCABWNWATI-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068812 1137534611 /nfs/dbraw/zinc/53/46/11/1137534611.db2.gz LCCJKCABWNWATI-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068812 1137534612 /nfs/dbraw/zinc/53/46/12/1137534612.db2.gz LCCJKCABWNWATI-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068812 1137534613 /nfs/dbraw/zinc/53/46/13/1137534613.db2.gz LCCJKCABWNWATI-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068798 1137534643 /nfs/dbraw/zinc/53/46/43/1137534643.db2.gz KXAWNFPGNPEZMZ-TWGBQZSLSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068798 1137534645 /nfs/dbraw/zinc/53/46/45/1137534645.db2.gz KXAWNFPGNPEZMZ-TWGBQZSLSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068798 1137534647 /nfs/dbraw/zinc/53/46/47/1137534647.db2.gz KXAWNFPGNPEZMZ-TWGBQZSLSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068798 1137534648 /nfs/dbraw/zinc/53/46/48/1137534648.db2.gz KXAWNFPGNPEZMZ-TWGBQZSLSA-N 2 1 340.511 3.540 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001172108464 1137537147 /nfs/dbraw/zinc/53/71/47/1137537147.db2.gz WRCVVWMBVMFBPW-BTTYYORXSA-N 2 1 341.268 3.693 20 0 EHADMP COCCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC(F)(F)CC1 ZINC001172112529 1137537752 /nfs/dbraw/zinc/53/77/52/1137537752.db2.gz XAHBSIXWDJEWFL-MUJYYYPQSA-N 2 1 330.463 3.576 20 0 EHADMP COCCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001172112529 1137537754 /nfs/dbraw/zinc/53/77/54/1137537754.db2.gz XAHBSIXWDJEWFL-MUJYYYPQSA-N 2 1 330.463 3.576 20 0 EHADMP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172115616 1137538309 /nfs/dbraw/zinc/53/83/09/1137538309.db2.gz TZULDDIZAOXBDH-DKUWSORSSA-N 2 1 326.528 3.884 20 0 EHADMP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172115616 1137538310 /nfs/dbraw/zinc/53/83/10/1137538310.db2.gz TZULDDIZAOXBDH-DKUWSORSSA-N 2 1 326.528 3.884 20 0 EHADMP Cc1ccc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172120888 1137538326 /nfs/dbraw/zinc/53/83/26/1137538326.db2.gz GVIAOEQAZWDVKW-REPLKXPHSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172120888 1137538327 /nfs/dbraw/zinc/53/83/27/1137538327.db2.gz GVIAOEQAZWDVKW-REPLKXPHSA-N 2 1 328.500 3.854 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@H]3C2)cc1 ZINC001172229445 1137542451 /nfs/dbraw/zinc/54/24/51/1137542451.db2.gz MDBRUTIMWGUNCV-YSMCHUBRSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@H]3C2)cc1 ZINC001172229445 1137542452 /nfs/dbraw/zinc/54/24/52/1137542452.db2.gz MDBRUTIMWGUNCV-YSMCHUBRSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@H]3C2)cc1 ZINC001172229445 1137542453 /nfs/dbraw/zinc/54/24/53/1137542453.db2.gz MDBRUTIMWGUNCV-YSMCHUBRSA-N 2 1 340.511 3.540 20 0 EHADMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206163403 1137543911 /nfs/dbraw/zinc/54/39/11/1137543911.db2.gz CEUQJURRUPKSND-VQTJNVASSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206163403 1137543913 /nfs/dbraw/zinc/54/39/13/1137543913.db2.gz CEUQJURRUPKSND-VQTJNVASSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206163401 1137543960 /nfs/dbraw/zinc/54/39/60/1137543960.db2.gz CEUQJURRUPKSND-PMACEKPBSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206163401 1137543961 /nfs/dbraw/zinc/54/39/61/1137543961.db2.gz CEUQJURRUPKSND-PMACEKPBSA-N 2 1 328.431 3.623 20 0 EHADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC001172242430 1137544022 /nfs/dbraw/zinc/54/40/22/1137544022.db2.gz BYBBIIOYBASUFV-UHFFFAOYSA-N 2 1 338.923 3.752 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC001172250485 1137544891 /nfs/dbraw/zinc/54/48/91/1137544891.db2.gz UECWWDFGNLXDNM-UHFFFAOYSA-N 2 1 348.918 3.930 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC001172250485 1137544893 /nfs/dbraw/zinc/54/48/93/1137544893.db2.gz UECWWDFGNLXDNM-UHFFFAOYSA-N 2 1 348.918 3.930 20 0 EHADMP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172403481 1137555451 /nfs/dbraw/zinc/55/54/51/1137555451.db2.gz TVNADUFOOJFIFA-CGXNFDGLSA-N 2 1 346.563 3.881 20 0 EHADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172403481 1137555452 /nfs/dbraw/zinc/55/54/52/1137555452.db2.gz TVNADUFOOJFIFA-CGXNFDGLSA-N 2 1 346.563 3.881 20 0 EHADMP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172403481 1137555454 /nfs/dbraw/zinc/55/54/54/1137555454.db2.gz TVNADUFOOJFIFA-CGXNFDGLSA-N 2 1 346.563 3.881 20 0 EHADMP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172403481 1137555456 /nfs/dbraw/zinc/55/54/56/1137555456.db2.gz TVNADUFOOJFIFA-CGXNFDGLSA-N 2 1 346.563 3.881 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872027242 1137566057 /nfs/dbraw/zinc/56/60/57/1137566057.db2.gz KKTCOPQCJWNCBN-KRWDZBQOSA-N 2 1 334.529 3.703 20 0 EHADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CCCCCC[NH3+] ZINC000872155103 1137573992 /nfs/dbraw/zinc/57/39/92/1137573992.db2.gz LJJTVICOPKPUCR-MRXNPFEDSA-N 2 1 327.472 3.618 20 0 EHADMP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158911 1137574459 /nfs/dbraw/zinc/57/44/59/1137574459.db2.gz ZEKRBUWAFYSNHJ-ZOBUZTSGSA-N 2 1 334.508 3.874 20 0 EHADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158911 1137574460 /nfs/dbraw/zinc/57/44/60/1137574460.db2.gz ZEKRBUWAFYSNHJ-ZOBUZTSGSA-N 2 1 334.508 3.874 20 0 EHADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232306 1137594579 /nfs/dbraw/zinc/59/45/79/1137594579.db2.gz PDGWYPXLJWZLIQ-GDBMZVCRSA-N 2 1 338.927 3.502 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232306 1137594580 /nfs/dbraw/zinc/59/45/80/1137594580.db2.gz PDGWYPXLJWZLIQ-GDBMZVCRSA-N 2 1 338.927 3.502 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876969451 1137666613 /nfs/dbraw/zinc/66/66/13/1137666613.db2.gz PVCDSQZDMMNHBM-MRNZGAJFSA-N 2 1 332.469 3.665 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876969451 1137666614 /nfs/dbraw/zinc/66/66/14/1137666614.db2.gz PVCDSQZDMMNHBM-MRNZGAJFSA-N 2 1 332.469 3.665 20 0 EHADMP Clc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1 ZINC000876988939 1137667165 /nfs/dbraw/zinc/66/71/65/1137667165.db2.gz MXNXDZXJHAUAJR-UHFFFAOYSA-N 2 1 344.890 3.796 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054320 1137668861 /nfs/dbraw/zinc/66/88/61/1137668861.db2.gz HHUPQHLDGQBLMR-BZPMIXESSA-N 2 1 333.328 3.914 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054320 1137668862 /nfs/dbraw/zinc/66/88/62/1137668862.db2.gz HHUPQHLDGQBLMR-BZPMIXESSA-N 2 1 333.328 3.914 20 0 EHADMP C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608316 1137722125 /nfs/dbraw/zinc/72/21/25/1137722125.db2.gz OJDJMAASNJNSFN-DVJFUJMWSA-N 2 1 343.298 3.584 20 0 EHADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608316 1137722126 /nfs/dbraw/zinc/72/21/26/1137722126.db2.gz OJDJMAASNJNSFN-DVJFUJMWSA-N 2 1 343.298 3.584 20 0 EHADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608316 1137722127 /nfs/dbraw/zinc/72/21/27/1137722127.db2.gz OJDJMAASNJNSFN-DVJFUJMWSA-N 2 1 343.298 3.584 20 0 EHADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608316 1137722128 /nfs/dbraw/zinc/72/21/28/1137722128.db2.gz OJDJMAASNJNSFN-DVJFUJMWSA-N 2 1 343.298 3.584 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652908 1137723907 /nfs/dbraw/zinc/72/39/07/1137723907.db2.gz VVWRENFBFRJENS-HBMCJLEFSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652908 1137723908 /nfs/dbraw/zinc/72/39/08/1137723908.db2.gz VVWRENFBFRJENS-HBMCJLEFSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652908 1137723909 /nfs/dbraw/zinc/72/39/09/1137723909.db2.gz VVWRENFBFRJENS-HBMCJLEFSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Cl)nc4ccccc34)C2)CC1 ZINC000878865917 1137730419 /nfs/dbraw/zinc/73/04/19/1137730419.db2.gz FGPHROIDLMKYKG-UHFFFAOYSA-N 2 1 329.875 3.806 20 0 EHADMP CC(C)C[N@H+](Cc1nc(C(F)(F)F)cs1)CC1CC[NH+](C)CC1 ZINC000879704842 1137755850 /nfs/dbraw/zinc/75/58/50/1137755850.db2.gz VIJGPELVAUWPMN-UHFFFAOYSA-N 2 1 349.466 3.962 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259522 1137772362 /nfs/dbraw/zinc/77/23/62/1137772362.db2.gz VJNVBYCJDQAMJI-MRXNPFEDSA-N 2 1 348.450 3.756 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259521 1137772374 /nfs/dbraw/zinc/77/23/74/1137772374.db2.gz VJNVBYCJDQAMJI-INIZCTEOSA-N 2 1 348.450 3.756 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)C1CC1 ZINC000883228116 1137849569 /nfs/dbraw/zinc/84/95/69/1137849569.db2.gz GDQAHMVFANXYGY-FQEVSTJZSA-N 2 1 334.479 3.757 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424562 1137860403 /nfs/dbraw/zinc/86/04/03/1137860403.db2.gz WRMHWWVWUCFRPA-NCYKPQTJSA-N 2 1 328.500 3.761 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348229457 1137869483 /nfs/dbraw/zinc/86/94/83/1137869483.db2.gz RYOMJFOWLMMAST-ZIFCJYIRSA-N 2 1 339.483 3.651 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348229457 1137869484 /nfs/dbraw/zinc/86/94/84/1137869484.db2.gz RYOMJFOWLMMAST-ZIFCJYIRSA-N 2 1 339.483 3.651 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(CO)c2ccccc2)cc1 ZINC000348254854 1137883560 /nfs/dbraw/zinc/88/35/60/1137883560.db2.gz ITFUAKWLYMTHGF-VGSWGCGISA-N 2 1 349.478 3.782 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccc3F)CC2)oc1C ZINC000112547314 1137908626 /nfs/dbraw/zinc/90/86/26/1137908626.db2.gz ZVQXEJQHTAANPD-HNNXBMFYSA-N 2 1 345.462 3.993 20 0 EHADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000119734096 1137944145 /nfs/dbraw/zinc/94/41/45/1137944145.db2.gz AJRPWVDAFPMIEQ-QGZVFWFLSA-N 2 1 340.389 3.789 20 0 EHADMP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000886225690 1138061101 /nfs/dbraw/zinc/06/11/01/1138061101.db2.gz ATQRWJJYZMHOGV-HXUWFJFHSA-N 2 1 328.500 3.590 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886532221 1138091206 /nfs/dbraw/zinc/09/12/06/1138091206.db2.gz GFPSIOOZLFUCFA-GTAWCEEGSA-N 2 1 330.516 3.833 20 0 EHADMP COC(=O)c1cc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c(C)s1 ZINC000886665590 1138111369 /nfs/dbraw/zinc/11/13/69/1138111369.db2.gz BMQXAUDAYLZIQF-UHFFFAOYSA-N 2 1 347.484 3.563 20 0 EHADMP c1ccc2c(c1)CCC[C@H]2OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089686733 1138203807 /nfs/dbraw/zinc/20/38/07/1138203807.db2.gz UTUXBRHMMFPXGB-SFHLNBCPSA-N 2 1 328.500 3.687 20 0 EHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660180 1138239176 /nfs/dbraw/zinc/23/91/76/1138239176.db2.gz UMAQKROYLBHTBW-SFHVURJKSA-N 2 1 340.471 3.575 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660180 1138239177 /nfs/dbraw/zinc/23/91/77/1138239177.db2.gz UMAQKROYLBHTBW-SFHVURJKSA-N 2 1 340.471 3.575 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660180 1138239180 /nfs/dbraw/zinc/23/91/80/1138239180.db2.gz UMAQKROYLBHTBW-SFHVURJKSA-N 2 1 340.471 3.575 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660180 1138239181 /nfs/dbraw/zinc/23/91/81/1138239181.db2.gz UMAQKROYLBHTBW-SFHVURJKSA-N 2 1 340.471 3.575 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660180 1138239182 /nfs/dbraw/zinc/23/91/82/1138239182.db2.gz UMAQKROYLBHTBW-SFHVURJKSA-N 2 1 340.471 3.575 20 0 EHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000121803677 1138250417 /nfs/dbraw/zinc/25/04/17/1138250417.db2.gz ZEKGBPLRGBYGIK-HXUWFJFHSA-N 2 1 326.484 3.605 20 0 EHADMP C[C@H]1C[N@@H+](CCCc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205983203 1138262888 /nfs/dbraw/zinc/26/28/88/1138262888.db2.gz OIYKRSLEJQBSCK-GOEBONIOSA-N 2 1 339.321 3.689 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000124035228 1138278046 /nfs/dbraw/zinc/27/80/46/1138278046.db2.gz AFGNFKPFWKBBBW-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000124035228 1138278049 /nfs/dbraw/zinc/27/80/49/1138278049.db2.gz AFGNFKPFWKBBBW-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035228 1138278051 /nfs/dbraw/zinc/27/80/51/1138278051.db2.gz AFGNFKPFWKBBBW-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035228 1138278052 /nfs/dbraw/zinc/27/80/52/1138278052.db2.gz AFGNFKPFWKBBBW-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@H](C)C1 ZINC000130599845 1138464351 /nfs/dbraw/zinc/46/43/51/1138464351.db2.gz ZTFNJHSVMSPTGB-BEFAXECRSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@H](C)C1 ZINC000130599845 1138464352 /nfs/dbraw/zinc/46/43/52/1138464352.db2.gz ZTFNJHSVMSPTGB-BEFAXECRSA-N 2 1 343.446 3.833 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000337568738 1138608411 /nfs/dbraw/zinc/60/84/11/1138608411.db2.gz ZORDPIGMPULEQP-ZLIFDBKOSA-N 2 1 335.398 3.992 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000133152143 1138623355 /nfs/dbraw/zinc/62/33/55/1138623355.db2.gz DNOPYPLWLWBROI-HOTGVXAUSA-N 2 1 328.456 3.584 20 0 EHADMP COCC[N@@H+](C)CCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000338213002 1138789632 /nfs/dbraw/zinc/78/96/32/1138789632.db2.gz NJQYOULMPVXQMP-IBGZPJMESA-N 2 1 346.515 3.771 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000338213002 1138789638 /nfs/dbraw/zinc/78/96/38/1138789638.db2.gz NJQYOULMPVXQMP-IBGZPJMESA-N 2 1 346.515 3.771 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000136386451 1138797178 /nfs/dbraw/zinc/79/71/78/1138797178.db2.gz QZQXAQGATVKFFB-UHFFFAOYSA-N 2 1 327.472 3.510 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000136386451 1138797181 /nfs/dbraw/zinc/79/71/81/1138797181.db2.gz QZQXAQGATVKFFB-UHFFFAOYSA-N 2 1 327.472 3.510 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338318597 1138831677 /nfs/dbraw/zinc/83/16/77/1138831677.db2.gz MDKIZSVEDXWSIW-FQEVSTJZSA-N 2 1 341.499 3.724 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338318597 1138831684 /nfs/dbraw/zinc/83/16/84/1138831684.db2.gz MDKIZSVEDXWSIW-FQEVSTJZSA-N 2 1 341.499 3.724 20 0 EHADMP C[C@H]1C[C@H](NCc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153738886 1139149301 /nfs/dbraw/zinc/14/93/01/1139149301.db2.gz OEMSHPZRZORMLQ-GOEBONIOSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@@H+]1C ZINC000153738886 1139149312 /nfs/dbraw/zinc/14/93/12/1139149312.db2.gz OEMSHPZRZORMLQ-GOEBONIOSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153738886 1139149315 /nfs/dbraw/zinc/14/93/15/1139149315.db2.gz OEMSHPZRZORMLQ-GOEBONIOSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000177813976 1139643863 /nfs/dbraw/zinc/64/38/63/1139643863.db2.gz PYVWTKGCVDXLMA-XHDPSFHLSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2)CCN1C ZINC000177813976 1139643867 /nfs/dbraw/zinc/64/38/67/1139643867.db2.gz PYVWTKGCVDXLMA-XHDPSFHLSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)CCN1C ZINC000177813976 1139643870 /nfs/dbraw/zinc/64/38/70/1139643870.db2.gz PYVWTKGCVDXLMA-XHDPSFHLSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000178522440 1139701174 /nfs/dbraw/zinc/70/11/74/1139701174.db2.gz QOJNDAVIYPJWGS-SFHVURJKSA-N 2 1 338.495 3.851 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180015452 1139801087 /nfs/dbraw/zinc/80/10/87/1139801087.db2.gz DAUDMMCSQLARJM-HXUWFJFHSA-N 2 1 349.950 3.798 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1F ZINC000180960576 1139875540 /nfs/dbraw/zinc/87/55/40/1139875540.db2.gz BYXVJEORHJLFAE-AQNXPRMDSA-N 2 1 334.479 3.634 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000180990431 1139877338 /nfs/dbraw/zinc/87/73/38/1139877338.db2.gz QLETZJLIFGPYDM-HXUWFJFHSA-N 2 1 340.471 3.526 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000182251637 1139961033 /nfs/dbraw/zinc/96/10/33/1139961033.db2.gz HIMINGOJIMHXBZ-VQIMIIECSA-N 2 1 342.458 3.633 20 0 EHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000182265307 1139961797 /nfs/dbraw/zinc/96/17/97/1139961797.db2.gz VMRWEYNKSLJAFG-VXKWHMMOSA-N 2 1 338.495 3.740 20 0 EHADMP c1ccc(COCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000182554033 1139979915 /nfs/dbraw/zinc/97/99/15/1139979915.db2.gz YUJQYZRJVZHCQG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(COCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000182554033 1139979918 /nfs/dbraw/zinc/97/99/18/1139979918.db2.gz YUJQYZRJVZHCQG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(COCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000182554033 1139979920 /nfs/dbraw/zinc/97/99/20/1139979920.db2.gz YUJQYZRJVZHCQG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000183193375 1140019773 /nfs/dbraw/zinc/01/97/73/1140019773.db2.gz FZTUNDCNAYGTAG-YESZJQIVSA-N 2 1 340.515 3.877 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000183193375 1140019780 /nfs/dbraw/zinc/01/97/80/1140019780.db2.gz FZTUNDCNAYGTAG-YESZJQIVSA-N 2 1 340.515 3.877 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183246497 1140023478 /nfs/dbraw/zinc/02/34/78/1140023478.db2.gz ZNVQXMWRCIMANO-LJQANCHMSA-N 2 1 326.488 3.501 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183246497 1140023482 /nfs/dbraw/zinc/02/34/82/1140023482.db2.gz ZNVQXMWRCIMANO-LJQANCHMSA-N 2 1 326.488 3.501 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000190693298 1140414364 /nfs/dbraw/zinc/41/43/64/1140414364.db2.gz XGUXRDIOIGGTSB-KRWDZBQOSA-N 2 1 347.572 3.544 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000191470550 1140465408 /nfs/dbraw/zinc/46/54/08/1140465408.db2.gz BYWANFJAKGKSBG-UHFFFAOYSA-N 2 1 337.414 3.959 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000191470550 1140465411 /nfs/dbraw/zinc/46/54/11/1140465411.db2.gz BYWANFJAKGKSBG-UHFFFAOYSA-N 2 1 337.414 3.959 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268834755 1141004109 /nfs/dbraw/zinc/00/41/09/1141004109.db2.gz GHHYBPLMQXAERG-CYBMUJFWSA-N 2 1 341.484 3.759 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000269026784 1141050451 /nfs/dbraw/zinc/05/04/51/1141050451.db2.gz RZSPAXBUSDVOGI-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000269026784 1141050458 /nfs/dbraw/zinc/05/04/58/1141050458.db2.gz RZSPAXBUSDVOGI-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnccc3C)CC2)oc1C ZINC000271374081 1141353402 /nfs/dbraw/zinc/35/34/02/1141353402.db2.gz HCEDMEKOWHFOBX-MRXNPFEDSA-N 2 1 342.487 3.558 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000271442588 1141368078 /nfs/dbraw/zinc/36/80/78/1141368078.db2.gz DPAHNPAYDSELKP-WMZOPIPTSA-N 2 1 329.513 3.718 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000271442588 1141368086 /nfs/dbraw/zinc/36/80/86/1141368086.db2.gz DPAHNPAYDSELKP-WMZOPIPTSA-N 2 1 329.513 3.718 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271505406 1141382480 /nfs/dbraw/zinc/38/24/80/1141382480.db2.gz MRBSURVDNMRONG-GQIGUUNPSA-N 2 1 341.499 3.895 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000348959912 1141615477 /nfs/dbraw/zinc/61/54/77/1141615477.db2.gz BFEATTFSGWTEFO-XMMPIXPASA-N 2 1 344.524 3.508 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Br)c1 ZINC000038098163 202101586 /nfs/dbraw/zinc/10/15/86/202101586.db2.gz YYEOYPITQBSTIZ-MRXNPFEDSA-N 2 1 325.294 3.974 20 0 EHADMP C[C@H](C[NH2+]Cc1csc(Br)c1)C[NH+]1CCCCC1 ZINC000037997653 202384197 /nfs/dbraw/zinc/38/41/97/202384197.db2.gz QOQWBGHHEPLMMG-GFCCVEGCSA-N 2 1 331.323 3.722 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)s1 ZINC000038003335 202384998 /nfs/dbraw/zinc/38/49/98/202384998.db2.gz VKQAHECPCQJJTM-QWRGUYRKSA-N 2 1 329.307 3.646 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCCO1 ZINC000359867549 201114198 /nfs/dbraw/zinc/11/41/98/201114198.db2.gz JGRNAJQJPPAKJH-XCDJFROHSA-N 2 1 328.500 3.729 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000040227470 518218539 /nfs/dbraw/zinc/21/85/39/518218539.db2.gz WGUUGOLRWXBKMY-SJKOYZFVSA-N 2 1 335.289 3.510 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000153409160 1125483226 /nfs/dbraw/zinc/48/32/26/1125483226.db2.gz RLAZUCUBVYMPSU-FGTMMUONSA-N 2 1 335.561 3.593 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661979 1032076022 /nfs/dbraw/zinc/07/60/22/1032076022.db2.gz JPRKLECMGKYSPV-DZGCQCFKSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661979 1032076039 /nfs/dbraw/zinc/07/60/39/1032076039.db2.gz JPRKLECMGKYSPV-DZGCQCFKSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661979 1032076053 /nfs/dbraw/zinc/07/60/53/1032076053.db2.gz JPRKLECMGKYSPV-DZGCQCFKSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661979 1032076058 /nfs/dbraw/zinc/07/60/58/1032076058.db2.gz JPRKLECMGKYSPV-DZGCQCFKSA-N 2 1 330.394 3.890 20 0 EHADMP C[C@@H]([NH2+]CCOc1cccc(Cl)c1Cl)c1c[nH+]ccc1N ZINC000579701802 1014224149 /nfs/dbraw/zinc/22/41/49/1014224149.db2.gz KZGJYNAPYHIMFW-SNVBAGLBSA-N 2 1 326.227 3.531 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430145112 1014370831 /nfs/dbraw/zinc/37/08/31/1014370831.db2.gz CSWSVELOHNKKHM-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000430145112 1014370845 /nfs/dbraw/zinc/37/08/45/1014370845.db2.gz CSWSVELOHNKKHM-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000430145112 1014370858 /nfs/dbraw/zinc/37/08/58/1014370858.db2.gz CSWSVELOHNKKHM-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000430145112 1014370873 /nfs/dbraw/zinc/37/08/73/1014370873.db2.gz CSWSVELOHNKKHM-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1ccc(-c2cc(CN3CC[C@]4(C3)CCC[N@H+](C)C4)on2)cc1 ZINC000339429289 1014412224 /nfs/dbraw/zinc/41/22/24/1014412224.db2.gz RLFCRGWAAUDDMO-HXUWFJFHSA-N 2 1 325.456 3.568 20 0 EHADMP CC[C@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000339490970 1014578885 /nfs/dbraw/zinc/57/88/85/1014578885.db2.gz SWQCCUSWVZTSOW-ICSRJNTNSA-N 2 1 330.516 3.551 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1SC ZINC000459426695 1032108862 /nfs/dbraw/zinc/10/88/62/1032108862.db2.gz NLNOQUXFWLQCAL-ZMHJYQQXSA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1SC ZINC000459426695 1032108877 /nfs/dbraw/zinc/10/88/77/1032108877.db2.gz NLNOQUXFWLQCAL-ZMHJYQQXSA-N 2 1 348.556 3.538 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000154518483 1015517454 /nfs/dbraw/zinc/51/74/54/1015517454.db2.gz SKICQLJANZOHHP-NQIIRXRSSA-N 2 1 329.532 3.632 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000471227212 1015824616 /nfs/dbraw/zinc/82/46/16/1015824616.db2.gz PEPOUZNQRVVWAM-PBHICJAKSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000471227212 1015824620 /nfs/dbraw/zinc/82/46/20/1015824620.db2.gz PEPOUZNQRVVWAM-PBHICJAKSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000471227212 1015824625 /nfs/dbraw/zinc/82/46/25/1015824625.db2.gz PEPOUZNQRVVWAM-PBHICJAKSA-N 2 1 344.421 3.746 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000155200150 1016297670 /nfs/dbraw/zinc/29/76/70/1016297670.db2.gz WVICIJAORVAGAR-VQIMIIECSA-N 3 1 349.950 3.624 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CCN1C ZINC000155200150 1016297673 /nfs/dbraw/zinc/29/76/73/1016297673.db2.gz WVICIJAORVAGAR-VQIMIIECSA-N 2 1 349.950 3.624 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000118946950 1016407142 /nfs/dbraw/zinc/40/71/42/1016407142.db2.gz KGAPXNOICPHMJA-WYNBGMTASA-N 2 1 330.516 3.659 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398187683 1016553247 /nfs/dbraw/zinc/55/32/47/1016553247.db2.gz YNGRDRCZKZIXDB-YLJYHZDGSA-N 2 1 348.494 3.643 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398187683 1016553270 /nfs/dbraw/zinc/55/32/70/1016553270.db2.gz YNGRDRCZKZIXDB-YLJYHZDGSA-N 2 1 348.494 3.643 20 0 EHADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000165986029 1016566115 /nfs/dbraw/zinc/56/61/15/1016566115.db2.gz SMPQXPSZDVTNDQ-FGZHOGPDSA-N 2 1 338.495 3.973 20 0 EHADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000165986029 1016566131 /nfs/dbraw/zinc/56/61/31/1016566131.db2.gz SMPQXPSZDVTNDQ-FGZHOGPDSA-N 2 1 338.495 3.973 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653105412 1016673129 /nfs/dbraw/zinc/67/31/29/1016673129.db2.gz URTHBXOXAFXJNQ-QGZVFWFLSA-N 2 1 343.515 3.779 20 0 EHADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000536696021 1032155146 /nfs/dbraw/zinc/15/51/46/1032155146.db2.gz RAKQYUUOTUOXPF-GOSISDBHSA-N 2 1 328.500 3.708 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000536696021 1032155149 /nfs/dbraw/zinc/15/51/49/1032155149.db2.gz RAKQYUUOTUOXPF-GOSISDBHSA-N 2 1 328.500 3.708 20 0 EHADMP C[N@@H+](CCOc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536708038 1032184881 /nfs/dbraw/zinc/18/48/81/1032184881.db2.gz NCKFTMKTEYFJRZ-UHFFFAOYSA-N 2 1 339.483 3.699 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089532 1032192807 /nfs/dbraw/zinc/19/28/07/1032192807.db2.gz KCTYJNOQFRDVQK-XHDPSFHLSA-N 2 1 341.268 3.507 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449090328 1032194219 /nfs/dbraw/zinc/19/42/19/1032194219.db2.gz MYXXDRXWKJOVLW-LBPRGKRZSA-N 2 1 342.270 3.946 20 0 EHADMP Clc1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856652 1032240869 /nfs/dbraw/zinc/24/08/69/1032240869.db2.gz WMJCZLUUSUFBMK-SFHVURJKSA-N 2 1 345.874 3.546 20 0 EHADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449198027 1032322585 /nfs/dbraw/zinc/32/25/85/1032322585.db2.gz ZHVSHBKSNXKCCK-LPHOPBHVSA-N 2 1 335.580 3.738 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C ZINC000459662620 1032391249 /nfs/dbraw/zinc/39/12/49/1032391249.db2.gz HEURRHYDSMMSHA-ILWGZMRPSA-N 2 1 335.495 3.699 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C ZINC000459662620 1032391256 /nfs/dbraw/zinc/39/12/56/1032391256.db2.gz HEURRHYDSMMSHA-ILWGZMRPSA-N 2 1 335.495 3.699 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000449317071 1032450442 /nfs/dbraw/zinc/45/04/42/1032450442.db2.gz AMWZOZFOHMCFCC-GOSISDBHSA-N 2 1 348.494 3.520 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459744977 1032459596 /nfs/dbraw/zinc/45/95/96/1032459596.db2.gz YILATUFKYKHPEP-ROUUACIJSA-N 2 1 345.531 3.849 20 0 EHADMP Clc1ccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000089603068 1032532576 /nfs/dbraw/zinc/53/25/76/1032532576.db2.gz HWDNNIBXXGEYSM-HNNXBMFYSA-N 2 1 331.847 3.553 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000090404309 1032565480 /nfs/dbraw/zinc/56/54/80/1032565480.db2.gz PLHHTMDYLWQDPM-OAQYLSRUSA-N 2 1 330.516 3.624 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449450878 1032566873 /nfs/dbraw/zinc/56/68/73/1032566873.db2.gz PLWUVCLABHRNJE-GOSISDBHSA-N 2 1 340.870 3.631 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449488789 1032645213 /nfs/dbraw/zinc/64/52/13/1032645213.db2.gz LDVBOUUSOMCJBW-MQSCRBSSSA-N 2 1 349.522 3.823 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccc4cc(Cl)ccc43)C2)C1 ZINC000579933000 1017268938 /nfs/dbraw/zinc/26/89/38/1017268938.db2.gz HFCHNCUGQSLGOE-LJQANCHMSA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)C1 ZINC000579933000 1017268946 /nfs/dbraw/zinc/26/89/46/1017268946.db2.gz HFCHNCUGQSLGOE-LJQANCHMSA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)C1 ZINC000579933000 1017268957 /nfs/dbraw/zinc/26/89/57/1017268957.db2.gz HFCHNCUGQSLGOE-LJQANCHMSA-N 2 1 331.891 3.712 20 0 EHADMP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000415020778 1017406697 /nfs/dbraw/zinc/40/66/97/1017406697.db2.gz UERAACXDSVTKJN-LSDHHAIUSA-N 2 1 338.430 3.504 20 0 EHADMP FC(F)(F)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415035264 1017437454 /nfs/dbraw/zinc/43/74/54/1017437454.db2.gz DTRTTXVINBUVHG-DOTOQJQBSA-N 2 1 342.405 3.592 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCCC[NH+]1C ZINC000472683845 1017447657 /nfs/dbraw/zinc/44/76/57/1017447657.db2.gz NWGIMWOFVSNSHT-HXUWFJFHSA-N 2 1 340.515 3.816 20 0 EHADMP C[NH+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCCC[N@@H+]1C ZINC000472683845 1017447678 /nfs/dbraw/zinc/44/76/78/1017447678.db2.gz NWGIMWOFVSNSHT-HXUWFJFHSA-N 2 1 340.515 3.816 20 0 EHADMP CCc1ccccc1[C@H]([NH3+])CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000415043587 1017450978 /nfs/dbraw/zinc/45/09/78/1017450978.db2.gz AQIGVEINFKXZIV-HXUWFJFHSA-N 2 1 334.467 3.737 20 0 EHADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655718763 1017455584 /nfs/dbraw/zinc/45/55/84/1017455584.db2.gz MBZQOZGNMVMURR-DJIMGWMZSA-N 2 1 348.453 3.588 20 0 EHADMP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655756578 1017546657 /nfs/dbraw/zinc/54/66/57/1017546657.db2.gz GTYNHINYWYINMF-MJGOQNOKSA-N 2 1 348.556 3.709 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415111527 1017557862 /nfs/dbraw/zinc/55/78/62/1017557862.db2.gz RBMIQCHFVOHVNU-VQIMIIECSA-N 2 1 343.515 3.826 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415112755 1017568939 /nfs/dbraw/zinc/56/89/39/1017568939.db2.gz DMJZKOCEWACMFZ-WMZOPIPTSA-N 2 1 326.488 3.616 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCCO1 ZINC000415115120 1017570720 /nfs/dbraw/zinc/57/07/20/1017570720.db2.gz UIJNBEAMEXXUTG-HNNXBMFYSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCCO1 ZINC000415115120 1017570734 /nfs/dbraw/zinc/57/07/34/1017570734.db2.gz UIJNBEAMEXXUTG-HNNXBMFYSA-N 2 1 336.888 3.618 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000655848432 1017765151 /nfs/dbraw/zinc/76/51/51/1017765151.db2.gz IZRYSRZTOVYODG-NHCUHLMSSA-N 2 1 330.516 3.631 20 0 EHADMP Oc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000340468619 1017958160 /nfs/dbraw/zinc/95/81/60/1017958160.db2.gz GJRUZTIWQPDNFS-JOCHJYFZSA-N 2 1 336.479 3.808 20 0 EHADMP Oc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000340468619 1017958170 /nfs/dbraw/zinc/95/81/70/1017958170.db2.gz GJRUZTIWQPDNFS-JOCHJYFZSA-N 2 1 336.479 3.808 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000721642169 1018009830 /nfs/dbraw/zinc/00/98/30/1018009830.db2.gz QWNUCYKGSIYTHH-UFYCRDLUSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000721642170 1018011090 /nfs/dbraw/zinc/01/10/90/1018011090.db2.gz QWNUCYKGSIYTHH-ZCNNSNEGSA-N 2 1 330.516 3.692 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462785061 1018164938 /nfs/dbraw/zinc/16/49/38/1018164938.db2.gz JOUREWSIEQLCJG-UHFFFAOYSA-N 2 1 346.515 3.996 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893019724 1018180042 /nfs/dbraw/zinc/18/00/42/1018180042.db2.gz MDJBEEOBQSKJQP-AFNJWWOFSA-N 2 1 336.545 3.926 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893019724 1018180047 /nfs/dbraw/zinc/18/00/47/1018180047.db2.gz MDJBEEOBQSKJQP-AFNJWWOFSA-N 2 1 336.545 3.926 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cnc1F ZINC000893022241 1018189666 /nfs/dbraw/zinc/18/96/66/1018189666.db2.gz ZXTHIBVIUVIEAZ-NVXWUHKLSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cnc1F ZINC000893022241 1018189671 /nfs/dbraw/zinc/18/96/71/1018189671.db2.gz ZXTHIBVIUVIEAZ-NVXWUHKLSA-N 2 1 333.476 3.763 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340516972 1018203701 /nfs/dbraw/zinc/20/37/01/1018203701.db2.gz YAQRFARWQSZGTR-ABSDTBQOSA-N 2 1 339.483 3.651 20 0 EHADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191793 1018771101 /nfs/dbraw/zinc/77/11/01/1018771101.db2.gz ZWRPRIZQZGJZQU-LEWJYISDSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191793 1018771117 /nfs/dbraw/zinc/77/11/17/1018771117.db2.gz ZWRPRIZQZGJZQU-LEWJYISDSA-N 2 1 344.543 3.960 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3cccc(C)c3n2)CC1 ZINC000052209515 1018871024 /nfs/dbraw/zinc/87/10/24/1018871024.db2.gz DMABXQNLEAWYKL-UHFFFAOYSA-N 2 1 328.504 3.587 20 0 EHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC000449560517 1032809430 /nfs/dbraw/zinc/80/94/30/1032809430.db2.gz MCYMRVREFLBXGN-FCLXEUQJSA-N 2 1 337.305 3.767 20 0 EHADMP FC(F)(F)c1ccccc1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727709 1019188105 /nfs/dbraw/zinc/18/81/05/1019188105.db2.gz LCFWXFJUFAAVCG-UHFFFAOYSA-N 2 1 326.406 3.714 20 0 EHADMP COC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000580361681 1019188188 /nfs/dbraw/zinc/18/81/88/1019188188.db2.gz GKIDYCLKZCVJQK-VQSBLYBRSA-N 2 1 342.527 3.834 20 0 EHADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cs1 ZINC000894207329 1019203114 /nfs/dbraw/zinc/20/31/14/1019203114.db2.gz RGVPTHALXLGPKF-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405703 1019425870 /nfs/dbraw/zinc/42/58/70/1019425870.db2.gz JELRHHBXHZDLKY-UXHICEINSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405703 1019425881 /nfs/dbraw/zinc/42/58/81/1019425881.db2.gz JELRHHBXHZDLKY-UXHICEINSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405703 1019425888 /nfs/dbraw/zinc/42/58/88/1019425888.db2.gz JELRHHBXHZDLKY-UXHICEINSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405703 1019425902 /nfs/dbraw/zinc/42/59/02/1019425902.db2.gz JELRHHBXHZDLKY-UXHICEINSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405703 1019425907 /nfs/dbraw/zinc/42/59/07/1019425907.db2.gz JELRHHBXHZDLKY-UXHICEINSA-N 2 1 332.532 3.628 20 0 EHADMP CC(C)(C)[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406804 1019434726 /nfs/dbraw/zinc/43/47/26/1019434726.db2.gz WTWGFEWUVLCRNZ-IFMALSPDSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406804 1019434732 /nfs/dbraw/zinc/43/47/32/1019434732.db2.gz WTWGFEWUVLCRNZ-IFMALSPDSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001167406804 1019434742 /nfs/dbraw/zinc/43/47/42/1019434742.db2.gz WTWGFEWUVLCRNZ-IFMALSPDSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001167406804 1019434750 /nfs/dbraw/zinc/43/47/50/1019434750.db2.gz WTWGFEWUVLCRNZ-IFMALSPDSA-N 2 1 344.543 3.772 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000513380128 1019583278 /nfs/dbraw/zinc/58/32/78/1019583278.db2.gz BXDLAFIWUDIWGV-SFQUDFHCSA-N 2 1 328.500 3.843 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000656261985 1019750731 /nfs/dbraw/zinc/75/07/31/1019750731.db2.gz OQZGUDNKVJLCGP-UHFFFAOYSA-N 2 1 337.471 3.516 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000656261985 1019750749 /nfs/dbraw/zinc/75/07/49/1019750749.db2.gz OQZGUDNKVJLCGP-UHFFFAOYSA-N 2 1 337.471 3.516 20 0 EHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000513510043 1019751912 /nfs/dbraw/zinc/75/19/12/1019751912.db2.gz YBAWKSRWXLAPBW-HKUYNNGSSA-N 2 1 336.545 3.662 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000513499937 1019756810 /nfs/dbraw/zinc/75/68/10/1019756810.db2.gz JQGHEILSUXCIAG-AZUAARDMSA-N 2 1 348.494 3.725 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000664203613 1019765453 /nfs/dbraw/zinc/76/54/53/1019765453.db2.gz XYKBYSZMYZHPIM-QMMLZNLJSA-N 2 1 339.458 3.531 20 0 EHADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2sccc2C)[C@@H]1c1cnn(C)c1 ZINC000434015164 1019876935 /nfs/dbraw/zinc/87/69/35/1019876935.db2.gz BVIFYQJSNCRNCM-QFBILLFUSA-N 2 1 346.544 3.695 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000469121205 1019921494 /nfs/dbraw/zinc/92/14/94/1019921494.db2.gz XYTVHSWGLOQCJJ-UGKGYDQZSA-N 3 1 343.559 3.883 20 0 EHADMP CC[N@@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000469121205 1019921503 /nfs/dbraw/zinc/92/15/03/1019921503.db2.gz XYTVHSWGLOQCJJ-UGKGYDQZSA-N 2 1 343.559 3.883 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000469121205 1019921516 /nfs/dbraw/zinc/92/15/16/1019921516.db2.gz XYTVHSWGLOQCJJ-UGKGYDQZSA-N 2 1 343.559 3.883 20 0 EHADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000469121205 1019921526 /nfs/dbraw/zinc/92/15/26/1019921526.db2.gz XYTVHSWGLOQCJJ-UGKGYDQZSA-N 2 1 343.559 3.883 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1NC(C)=O ZINC000155834652 1019941414 /nfs/dbraw/zinc/94/14/14/1019941414.db2.gz XAZUQUMEGWYXBG-INIZCTEOSA-N 2 1 349.519 3.813 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345284454 1020114067 /nfs/dbraw/zinc/11/40/67/1020114067.db2.gz RFYGPYJTPQABBY-LJQANCHMSA-N 2 1 336.907 3.618 20 0 EHADMP FC(F)(F)C1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398302364 1020193385 /nfs/dbraw/zinc/19/33/85/1020193385.db2.gz NIMLLXJHKTZBCH-JREVHRFXSA-N 2 1 338.417 3.828 20 0 EHADMP FC(F)(F)C1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398302364 1020193390 /nfs/dbraw/zinc/19/33/90/1020193390.db2.gz NIMLLXJHKTZBCH-JREVHRFXSA-N 2 1 338.417 3.828 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000580889643 1020194530 /nfs/dbraw/zinc/19/45/30/1020194530.db2.gz ABYDOIBHZHBNOM-IMFGXOCKSA-N 2 1 343.515 3.907 20 0 EHADMP CCCc1ncc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000449614845 1032883899 /nfs/dbraw/zinc/88/38/99/1032883899.db2.gz XGVKBZLZGKFJFB-WMZOPIPTSA-N 2 1 327.472 3.627 20 0 EHADMP C[N@@H+](CCc1ccc(F)c(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023906 1020658600 /nfs/dbraw/zinc/65/86/00/1020658600.db2.gz ARERTVXSYRSRHX-UHFFFAOYSA-N 2 1 345.437 3.751 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085419 1020700340 /nfs/dbraw/zinc/70/03/40/1020700340.db2.gz ZGXRMOBVYDBJIM-WIYYLYMNSA-N 2 1 345.531 3.825 20 0 EHADMP Cc1cnc(CNCc2ccccc2C[N@@H+](C)C2CCCCC2)n1C ZINC000341151997 1021021022 /nfs/dbraw/zinc/02/10/22/1021021022.db2.gz QWEPDJKTNGORBX-UHFFFAOYSA-N 2 1 340.515 3.783 20 0 EHADMP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)n1C ZINC000341151997 1021021031 /nfs/dbraw/zinc/02/10/31/1021021031.db2.gz QWEPDJKTNGORBX-UHFFFAOYSA-N 2 1 340.515 3.783 20 0 EHADMP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)n1C ZINC000341151997 1021021039 /nfs/dbraw/zinc/02/10/39/1021021039.db2.gz QWEPDJKTNGORBX-UHFFFAOYSA-N 2 1 340.515 3.783 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427278106 1021274303 /nfs/dbraw/zinc/27/43/03/1021274303.db2.gz VYYIRLJVSYRBLQ-MSOLQXFVSA-N 2 1 343.515 3.637 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCCOC1 ZINC000507520168 1021329250 /nfs/dbraw/zinc/32/92/50/1021329250.db2.gz NQGKORCANCAWPR-BBTUJRGHSA-N 2 1 330.516 3.966 20 0 EHADMP Brc1csc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785523 1021338416 /nfs/dbraw/zinc/33/84/16/1021338416.db2.gz LKBXNUCHVAPSCO-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785130 1021340661 /nfs/dbraw/zinc/34/06/61/1021340661.db2.gz JESPTBVPTJALGE-GOSISDBHSA-N 2 1 345.506 3.638 20 0 EHADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OCc1ccccc1 ZINC000656789781 1021341643 /nfs/dbraw/zinc/34/16/43/1021341643.db2.gz YDKYANKVAAJCAR-UHFFFAOYSA-N 2 1 340.467 3.635 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1O ZINC000426417782 1021530607 /nfs/dbraw/zinc/53/06/07/1021530607.db2.gz CLKPADXOEZLHKH-MSOLQXFVSA-N 2 1 348.531 3.966 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000187992040 1021553823 /nfs/dbraw/zinc/55/38/23/1021553823.db2.gz OXBKZDWMZAFWGE-MLGOLLRUSA-N 2 1 344.396 3.948 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152441 1022019170 /nfs/dbraw/zinc/01/91/70/1022019170.db2.gz HOIBQPYQSGQNPA-QFBILLFUSA-N 2 1 332.488 3.556 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152441 1022019188 /nfs/dbraw/zinc/01/91/88/1022019188.db2.gz HOIBQPYQSGQNPA-QFBILLFUSA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152441 1022019206 /nfs/dbraw/zinc/01/92/06/1022019206.db2.gz HOIBQPYQSGQNPA-QFBILLFUSA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@@H]1C ZINC000441152441 1022019222 /nfs/dbraw/zinc/01/92/22/1022019222.db2.gz HOIBQPYQSGQNPA-QFBILLFUSA-N 2 1 332.488 3.556 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cc2cccc(F)c2o1 ZINC000425895312 1022119057 /nfs/dbraw/zinc/11/90/57/1022119057.db2.gz ITFAIZMALSZVEV-GFCCVEGCSA-N 2 1 343.402 3.878 20 0 EHADMP CCc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409764 1022218885 /nfs/dbraw/zinc/21/88/85/1022218885.db2.gz JVSNPCYPKQFSIX-RXVVDRJESA-N 2 1 328.500 3.577 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187766313 1022236156 /nfs/dbraw/zinc/23/61/56/1022236156.db2.gz NPPBSLJWSUWFHW-YADHBBJMSA-N 2 1 343.559 3.504 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000156436097 1022244894 /nfs/dbraw/zinc/24/48/94/1022244894.db2.gz HHECAWHUFROVLY-SOLBZPMBSA-N 2 1 335.923 3.547 20 0 EHADMP FC(F)(F)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291389746 1022264237 /nfs/dbraw/zinc/26/42/37/1022264237.db2.gz CIZXNUBZOMHYKK-UHFFFAOYSA-N 2 1 326.406 3.927 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321984 1033039901 /nfs/dbraw/zinc/03/99/01/1033039901.db2.gz MZPNVHPVTAACBM-GDBMZVCRSA-N 2 1 326.406 3.972 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321984 1033039919 /nfs/dbraw/zinc/03/99/19/1033039919.db2.gz MZPNVHPVTAACBM-GDBMZVCRSA-N 2 1 326.406 3.972 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000110821086 1022356537 /nfs/dbraw/zinc/35/65/37/1022356537.db2.gz HOITUFYCMAOZBJ-OKZBNKHCSA-N 2 1 349.316 3.523 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000110821086 1022356553 /nfs/dbraw/zinc/35/65/53/1022356553.db2.gz HOITUFYCMAOZBJ-OKZBNKHCSA-N 2 1 349.316 3.523 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C2 ZINC000425949462 1022409314 /nfs/dbraw/zinc/40/93/14/1022409314.db2.gz IFQPNKBNZVLMIG-HKUYNNGSSA-N 2 1 330.516 3.654 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994514 1022416409 /nfs/dbraw/zinc/41/64/09/1022416409.db2.gz HDVHLBPGQMCEMY-CJLFMRGVSA-N 2 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994514 1022416413 /nfs/dbraw/zinc/41/64/13/1022416413.db2.gz HDVHLBPGQMCEMY-CJLFMRGVSA-N 2 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994514 1022416419 /nfs/dbraw/zinc/41/64/19/1022416419.db2.gz HDVHLBPGQMCEMY-CJLFMRGVSA-N 2 1 345.575 3.731 20 0 EHADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994514 1022416426 /nfs/dbraw/zinc/41/64/26/1022416426.db2.gz HDVHLBPGQMCEMY-CJLFMRGVSA-N 3 1 345.575 3.731 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994514 1022416433 /nfs/dbraw/zinc/41/64/33/1022416433.db2.gz HDVHLBPGQMCEMY-CJLFMRGVSA-N 3 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994514 1022416438 /nfs/dbraw/zinc/41/64/38/1022416438.db2.gz HDVHLBPGQMCEMY-CJLFMRGVSA-N 3 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994514 1022416445 /nfs/dbraw/zinc/41/64/45/1022416445.db2.gz HDVHLBPGQMCEMY-CJLFMRGVSA-N 3 1 345.575 3.731 20 0 EHADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972829 1022464539 /nfs/dbraw/zinc/46/45/39/1022464539.db2.gz CLGBIPJQPNFBEI-GKTUAVMOSA-N 2 1 326.484 3.678 20 0 EHADMP CCC(CC)[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975879 1022682800 /nfs/dbraw/zinc/68/28/00/1022682800.db2.gz YSRHGVWCGMFSGY-XDNSSPFJSA-N 3 1 347.591 3.882 20 0 EHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1(CC3CCC3)CCOCC1)C2 ZINC001167977543 1022728652 /nfs/dbraw/zinc/72/86/52/1022728652.db2.gz DWRYEOTWDHYINR-IHWFROFDSA-N 2 1 332.532 3.721 20 0 EHADMP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167979269 1022744278 /nfs/dbraw/zinc/74/42/78/1022744278.db2.gz ZECVOEYXGXTGGD-QYYYHEGRSA-N 2 1 325.500 3.836 20 0 EHADMP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)nc1 ZINC001167979269 1022744291 /nfs/dbraw/zinc/74/42/91/1022744291.db2.gz ZECVOEYXGXTGGD-QYYYHEGRSA-N 2 1 325.500 3.836 20 0 EHADMP [NH3+]Cc1ncc(-c2ccccc2)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978194 1022747919 /nfs/dbraw/zinc/74/79/19/1022747919.db2.gz LWMJBIZTBIJROY-DFNIBXOVSA-N 2 1 336.483 3.587 20 0 EHADMP c1cnc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)nc1 ZINC001167978267 1022747990 /nfs/dbraw/zinc/74/79/90/1022747990.db2.gz NNQNFJMEYNUEDJ-SEJPIABJSA-N 2 1 348.494 3.639 20 0 EHADMP CCc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccccc2[nH+]1 ZINC000126273798 1022794302 /nfs/dbraw/zinc/79/43/02/1022794302.db2.gz BOCSHNCADIMESK-MRXNPFEDSA-N 2 1 334.467 3.990 20 0 EHADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167981638 1022803277 /nfs/dbraw/zinc/80/32/77/1022803277.db2.gz COBWLTQIFDKLDL-CBQGHPETSA-N 2 1 339.527 3.522 20 0 EHADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167981638 1022803282 /nfs/dbraw/zinc/80/32/82/1022803282.db2.gz COBWLTQIFDKLDL-CBQGHPETSA-N 2 1 339.527 3.522 20 0 EHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431016676 1023121182 /nfs/dbraw/zinc/12/11/82/1023121182.db2.gz KITIAOWGGOQJQX-CYBMUJFWSA-N 2 1 334.414 3.568 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448176 1023165864 /nfs/dbraw/zinc/16/58/64/1023165864.db2.gz QVSPZJWCUDMBAB-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448176 1023165872 /nfs/dbraw/zinc/16/58/72/1023165872.db2.gz QVSPZJWCUDMBAB-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448176 1023165876 /nfs/dbraw/zinc/16/58/76/1023165876.db2.gz QVSPZJWCUDMBAB-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506448176 1023165880 /nfs/dbraw/zinc/16/58/80/1023165880.db2.gz QVSPZJWCUDMBAB-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000414972193 1023177829 /nfs/dbraw/zinc/17/78/29/1023177829.db2.gz AGJLHKPLCDBPHD-KRWDZBQOSA-N 2 1 348.874 3.755 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Br ZINC000578920085 1023221168 /nfs/dbraw/zinc/22/11/68/1023221168.db2.gz VXHLACBYEOYXEX-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Br ZINC000578920085 1023221175 /nfs/dbraw/zinc/22/11/75/1023221175.db2.gz VXHLACBYEOYXEX-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Br ZINC000578920085 1023221180 /nfs/dbraw/zinc/22/11/80/1023221180.db2.gz VXHLACBYEOYXEX-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Br ZINC000578920085 1023221186 /nfs/dbraw/zinc/22/11/86/1023221186.db2.gz VXHLACBYEOYXEX-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1nccn1C ZINC000341758524 1023270381 /nfs/dbraw/zinc/27/03/81/1023270381.db2.gz QRHGAHCAYURVFD-LJQANCHMSA-N 2 1 326.488 3.647 20 0 EHADMP CC[N@@H+](CCNc1cc[nH+]c2c(O)cccc12)CCC(F)(F)F ZINC000684589277 1023590906 /nfs/dbraw/zinc/59/09/06/1023590906.db2.gz AXVQEDULGUVLPU-UHFFFAOYSA-N 2 1 327.350 3.627 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCCCn2ccnc2C)c1 ZINC000535765633 1023613056 /nfs/dbraw/zinc/61/30/56/1023613056.db2.gz UNMIZRGCFHRSSY-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000535765633 1023613059 /nfs/dbraw/zinc/61/30/59/1023613059.db2.gz UNMIZRGCFHRSSY-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000535765633 1023613062 /nfs/dbraw/zinc/61/30/62/1023613062.db2.gz UNMIZRGCFHRSSY-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449759237 1033152916 /nfs/dbraw/zinc/15/29/16/1033152916.db2.gz JCONYVNDGPRFIB-NHCUHLMSSA-N 2 1 348.506 3.770 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449760749 1033152983 /nfs/dbraw/zinc/15/29/83/1033152983.db2.gz RCFUAXAIRNBTHJ-CWJKEVGVSA-N 2 1 330.516 3.834 20 0 EHADMP COc1ccc(F)c(F)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143419829 1023918637 /nfs/dbraw/zinc/91/86/37/1023918637.db2.gz HYOCICBQMNEFNU-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP COc1ccc(F)c(F)c1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143419829 1023918646 /nfs/dbraw/zinc/91/86/46/1023918646.db2.gz HYOCICBQMNEFNU-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]21 ZINC000342101541 1024006236 /nfs/dbraw/zinc/00/62/36/1024006236.db2.gz LGOWEICUDNQEBJ-IPMKNSEASA-N 2 1 346.478 3.561 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020249 1024029941 /nfs/dbraw/zinc/02/99/41/1024029941.db2.gz LQFQPLNDHNIULB-UDKICSLYSA-N 2 1 344.543 3.959 20 0 EHADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236715592 1024082314 /nfs/dbraw/zinc/08/23/14/1024082314.db2.gz DEALNZVETWHXRT-MRXNPFEDSA-N 2 1 331.504 3.622 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342113977 1024101234 /nfs/dbraw/zinc/10/12/34/1024101234.db2.gz WMTFVADNHUKECF-XOKHGSTOSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342113977 1024101243 /nfs/dbraw/zinc/10/12/43/1024101243.db2.gz WMTFVADNHUKECF-XOKHGSTOSA-N 2 1 331.460 3.508 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000514089677 1024123585 /nfs/dbraw/zinc/12/35/85/1024123585.db2.gz QWAGWLFWMXGWGR-IRXDYDNUSA-N 2 1 348.531 3.797 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000093982055 1024134932 /nfs/dbraw/zinc/13/49/32/1024134932.db2.gz PYZXYLQQIAJBJL-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]21 ZINC000342129176 1024197970 /nfs/dbraw/zinc/19/79/70/1024197970.db2.gz NHJXBKDUICCTGN-SRCQZFHVSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]21 ZINC000342129176 1024197973 /nfs/dbraw/zinc/19/79/73/1024197973.db2.gz NHJXBKDUICCTGN-SRCQZFHVSA-N 2 1 331.460 3.508 20 0 EHADMP C[C@H]1CC([NH2+]C2CCC([NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168023765 1024289421 /nfs/dbraw/zinc/28/94/21/1024289421.db2.gz XUUQCDLMHIQPSK-NHUPUQRLSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999296 1024373917 /nfs/dbraw/zinc/37/39/17/1024373917.db2.gz FGBHJGMVUWUHBU-SJORKVTESA-N 2 1 332.488 3.763 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999296 1024373936 /nfs/dbraw/zinc/37/39/36/1024373936.db2.gz FGBHJGMVUWUHBU-SJORKVTESA-N 2 1 332.488 3.763 20 0 EHADMP CCC[N@H+](CCCOC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000119993273 1024390505 /nfs/dbraw/zinc/39/05/05/1024390505.db2.gz SZCBLWADWXWQGJ-UHFFFAOYSA-N 2 1 348.535 3.589 20 0 EHADMP CCC[N@@H+](CCCOC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000119993273 1024390524 /nfs/dbraw/zinc/39/05/24/1024390524.db2.gz SZCBLWADWXWQGJ-UHFFFAOYSA-N 2 1 348.535 3.589 20 0 EHADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CCCCC1 ZINC000414856766 1024463638 /nfs/dbraw/zinc/46/36/38/1024463638.db2.gz ZLTJXDNDPIZLON-OAQYLSRUSA-N 2 1 339.483 3.658 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCCCCC1 ZINC000414857920 1024483758 /nfs/dbraw/zinc/48/37/58/1024483758.db2.gz GOVZDTLCJMNHFD-UHFFFAOYSA-N 2 1 339.483 3.802 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000280965539 1024498511 /nfs/dbraw/zinc/49/85/11/1024498511.db2.gz SQPVKCHWBXSNND-SQNIBIBYSA-N 2 1 348.531 3.906 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000280982042 1024522608 /nfs/dbraw/zinc/52/26/08/1024522608.db2.gz LGHFELGNEORMHE-UJKMTWAASA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000280982042 1024522624 /nfs/dbraw/zinc/52/26/24/1024522624.db2.gz LGHFELGNEORMHE-UJKMTWAASA-N 3 1 341.543 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000280982042 1024522640 /nfs/dbraw/zinc/52/26/40/1024522640.db2.gz LGHFELGNEORMHE-UJKMTWAASA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000280982042 1024522648 /nfs/dbraw/zinc/52/26/48/1024522648.db2.gz LGHFELGNEORMHE-UJKMTWAASA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000280982042 1024522655 /nfs/dbraw/zinc/52/26/55/1024522655.db2.gz LGHFELGNEORMHE-UJKMTWAASA-N 3 1 341.543 3.646 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000414860416 1024526185 /nfs/dbraw/zinc/52/61/85/1024526185.db2.gz VHQCUDJSGGSRDB-MNOVXSKESA-N 2 1 331.685 3.580 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CCN1c1cc[nH+]cc1 ZINC000895556306 1024610463 /nfs/dbraw/zinc/61/04/63/1024610463.db2.gz HBLFOTJKNXMCBH-CQSZACIVSA-N 2 1 328.485 3.516 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CCN1c1cc[nH+]cc1 ZINC000895556306 1024610467 /nfs/dbraw/zinc/61/04/67/1024610467.db2.gz HBLFOTJKNXMCBH-CQSZACIVSA-N 2 1 328.485 3.516 20 0 EHADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000346299559 1024615123 /nfs/dbraw/zinc/61/51/23/1024615123.db2.gz BODNZBXSDTUEHE-INIZCTEOSA-N 2 1 347.890 3.808 20 0 EHADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000346299559 1024615128 /nfs/dbraw/zinc/61/51/28/1024615128.db2.gz BODNZBXSDTUEHE-INIZCTEOSA-N 2 1 347.890 3.808 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008827 1024626017 /nfs/dbraw/zinc/62/60/17/1024626017.db2.gz FZWLKRUYGKLEGX-OPVJXMOQSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2ccc3nccn3c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168031841 1024700011 /nfs/dbraw/zinc/70/00/11/1024700011.db2.gz CQVOVMZVLCRBLF-QZTJIDSGSA-N 2 1 348.494 3.866 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168032120 1024700480 /nfs/dbraw/zinc/70/04/80/1024700480.db2.gz FGPLELLXGOTDRO-ZVXZJYCBSA-N 2 1 330.516 3.975 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000281205612 1024747781 /nfs/dbraw/zinc/74/77/81/1024747781.db2.gz TYGZAKKQDASJIM-INIZCTEOSA-N 2 1 340.433 3.858 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435376364 1024842722 /nfs/dbraw/zinc/84/27/22/1024842722.db2.gz ZGQOVXXXVHNHIP-CRAIPNDOSA-N 2 1 328.431 3.574 20 0 EHADMP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435375293 1024843738 /nfs/dbraw/zinc/84/37/38/1024843738.db2.gz LNWPJLSRUXCHKI-UHFFFAOYSA-N 2 1 346.496 3.520 20 0 EHADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435375293 1024843758 /nfs/dbraw/zinc/84/37/58/1024843758.db2.gz LNWPJLSRUXCHKI-UHFFFAOYSA-N 2 1 346.496 3.520 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000435379528 1024861114 /nfs/dbraw/zinc/86/11/14/1024861114.db2.gz JKSPTMAICJHYSR-IBGZPJMESA-N 2 1 327.472 3.562 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000435379528 1024861128 /nfs/dbraw/zinc/86/11/28/1024861128.db2.gz JKSPTMAICJHYSR-IBGZPJMESA-N 2 1 327.472 3.562 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435387346 1024870112 /nfs/dbraw/zinc/87/01/12/1024870112.db2.gz ZRZHIUKTLGUQBV-HNNXBMFYSA-N 2 1 330.394 3.592 20 0 EHADMP CCOc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435390429 1024875133 /nfs/dbraw/zinc/87/51/33/1024875133.db2.gz PFGLTTLYDFVZPF-HNNXBMFYSA-N 2 1 342.430 3.651 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CCCC1 ZINC000665249477 1024889338 /nfs/dbraw/zinc/88/93/38/1024889338.db2.gz RCVHGNARQLIRNI-CYBMUJFWSA-N 2 1 341.318 3.847 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435395357 1024882785 /nfs/dbraw/zinc/88/27/85/1024882785.db2.gz PIOFPTYRIKJFTC-GOSISDBHSA-N 2 1 346.478 3.628 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000657887211 1033243506 /nfs/dbraw/zinc/24/35/06/1033243506.db2.gz FVLJLAFLUQNDIN-KBRIMQKVSA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000657887211 1033243514 /nfs/dbraw/zinc/24/35/14/1033243514.db2.gz FVLJLAFLUQNDIN-KBRIMQKVSA-N 2 1 339.321 3.843 20 0 EHADMP Cc1ccccc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428044 1024916300 /nfs/dbraw/zinc/91/63/00/1024916300.db2.gz OXNVLVLSFACQMV-KRWDZBQOSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1ccccc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428044 1024916311 /nfs/dbraw/zinc/91/63/11/1024916311.db2.gz OXNVLVLSFACQMV-KRWDZBQOSA-N 2 1 327.497 3.596 20 0 EHADMP CC(C)n1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430137 1024917366 /nfs/dbraw/zinc/91/73/66/1024917366.db2.gz YPITZBHEFPSTNS-GOSISDBHSA-N 2 1 344.528 3.670 20 0 EHADMP CC(C)n1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430137 1024917380 /nfs/dbraw/zinc/91/73/80/1024917380.db2.gz YPITZBHEFPSTNS-GOSISDBHSA-N 2 1 344.528 3.670 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)cc1F ZINC000105443141 1024943183 /nfs/dbraw/zinc/94/31/83/1024943183.db2.gz IQBZTURKMAYXAI-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544364905 1024986592 /nfs/dbraw/zinc/98/65/92/1024986592.db2.gz CAUOALQRPOHNJB-LJQANCHMSA-N 2 1 332.451 3.874 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000474476819 1025028857 /nfs/dbraw/zinc/02/88/57/1025028857.db2.gz QJJWNVQCWGKLHA-LJQANCHMSA-N 2 1 340.515 3.925 20 0 EHADMP c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)nc1 ZINC000425396155 1025032877 /nfs/dbraw/zinc/03/28/77/1025032877.db2.gz ANFZFOYGDJQFTG-IBGZPJMESA-N 2 1 336.483 3.594 20 0 EHADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)nc1 ZINC000425396155 1025032889 /nfs/dbraw/zinc/03/28/89/1025032889.db2.gz ANFZFOYGDJQFTG-IBGZPJMESA-N 2 1 336.483 3.594 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000474480406 1025037166 /nfs/dbraw/zinc/03/71/66/1025037166.db2.gz ULTZVJJJYZEBRY-GOSISDBHSA-N 2 1 340.515 3.782 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000474484879 1025040722 /nfs/dbraw/zinc/04/07/22/1025040722.db2.gz NDFXKHUITLOGQK-QPIRBTGLSA-N 2 1 338.536 3.599 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000428213326 1025051152 /nfs/dbraw/zinc/05/11/52/1025051152.db2.gz RNLBLRSFCREILG-MDNUFGMLSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1ccc(CC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435686531 1025069503 /nfs/dbraw/zinc/06/95/03/1025069503.db2.gz VYSGPNLKDSZBBZ-SFHVURJKSA-N 2 1 341.524 3.638 20 0 EHADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000665267345 1025100122 /nfs/dbraw/zinc/10/01/22/1025100122.db2.gz VBURFPBRBCPZOD-KWCYVHTRSA-N 2 1 343.334 3.829 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000157733514 1025101881 /nfs/dbraw/zinc/10/18/81/1025101881.db2.gz VVZRDEYNCDWDEM-LPHOPBHVSA-N 2 1 343.515 3.778 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+]1C ZINC000157733514 1025101889 /nfs/dbraw/zinc/10/18/89/1025101889.db2.gz VVZRDEYNCDWDEM-LPHOPBHVSA-N 2 1 343.515 3.778 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000106432775 1025104780 /nfs/dbraw/zinc/10/47/80/1025104780.db2.gz IZQBFQOHFAUKDP-GOSISDBHSA-N 2 1 342.487 3.580 20 0 EHADMP COCc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000657329134 1025213658 /nfs/dbraw/zinc/21/36/58/1025213658.db2.gz LBHAUPKYYAMPBO-UHFFFAOYSA-N 2 1 345.443 3.818 20 0 EHADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657334567 1025261336 /nfs/dbraw/zinc/26/13/36/1025261336.db2.gz DKCNGQJYEFHZBE-GOSISDBHSA-N 2 1 344.524 3.896 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@](C)(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040194 1025299920 /nfs/dbraw/zinc/29/99/20/1025299920.db2.gz KOVZRTBJBMXXQY-OPYAIIAOSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040194 1025299935 /nfs/dbraw/zinc/29/99/35/1025299935.db2.gz KOVZRTBJBMXXQY-OPYAIIAOSA-N 2 1 330.516 3.665 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C)c1 ZINC000436047215 1025329311 /nfs/dbraw/zinc/32/93/11/1025329311.db2.gz ILENKOOZPYDXDP-IAGOWNOFSA-N 2 1 329.513 3.933 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C)c1 ZINC000436047215 1025329316 /nfs/dbraw/zinc/32/93/16/1025329316.db2.gz ILENKOOZPYDXDP-IAGOWNOFSA-N 2 1 329.513 3.933 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414877663 1025370805 /nfs/dbraw/zinc/37/08/05/1025370805.db2.gz MJCFUUBVKXCUNX-UHFFFAOYSA-N 2 1 337.389 3.678 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000102422731 1025390563 /nfs/dbraw/zinc/39/05/63/1025390563.db2.gz VWSQVHOAJDQIEM-HDICACEKSA-N 2 1 328.500 3.810 20 0 EHADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000442712570 1025438915 /nfs/dbraw/zinc/43/89/15/1025438915.db2.gz UXEODQPEKMKABZ-LJQANCHMSA-N 2 1 345.490 3.673 20 0 EHADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000442712570 1025438922 /nfs/dbraw/zinc/43/89/22/1025438922.db2.gz UXEODQPEKMKABZ-LJQANCHMSA-N 2 1 345.490 3.673 20 0 EHADMP CC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000451051375 1025471583 /nfs/dbraw/zinc/47/15/83/1025471583.db2.gz VBTBEUMQHDFFGS-DHIUTWEWSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000451051375 1025471590 /nfs/dbraw/zinc/47/15/90/1025471590.db2.gz VBTBEUMQHDFFGS-DHIUTWEWSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000451051375 1025471599 /nfs/dbraw/zinc/47/15/99/1025471599.db2.gz VBTBEUMQHDFFGS-DHIUTWEWSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000451051375 1025471612 /nfs/dbraw/zinc/47/16/12/1025471612.db2.gz VBTBEUMQHDFFGS-DHIUTWEWSA-N 2 1 348.490 3.843 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766123 1025478011 /nfs/dbraw/zinc/47/80/11/1025478011.db2.gz WCHLXMNTYWBJMF-MAUKXSAKSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000436246498 1025493678 /nfs/dbraw/zinc/49/36/78/1025493678.db2.gz ZBLSKEDRGAHACW-KOUHRCEDSA-N 2 1 330.516 3.802 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474803836 1025503529 /nfs/dbraw/zinc/50/35/29/1025503529.db2.gz HVMQSRCWLFYBDP-VMXMFDLUSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474803836 1025503534 /nfs/dbraw/zinc/50/35/34/1025503534.db2.gz HVMQSRCWLFYBDP-VMXMFDLUSA-N 2 1 330.516 3.834 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(OC)c1 ZINC000530217876 1025512670 /nfs/dbraw/zinc/51/26/70/1025512670.db2.gz IPHWQPLITJLXNC-KNBMTAEXSA-N 2 1 340.467 3.848 20 0 EHADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665299037 1025537022 /nfs/dbraw/zinc/53/70/22/1025537022.db2.gz FGUAASPWUFCWHL-FVQBIDKESA-N 2 1 327.394 3.501 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)cc(Cl)c1 ZINC000442873661 1025545064 /nfs/dbraw/zinc/54/50/64/1025545064.db2.gz KXOZNLSJXLNMHP-CYBMUJFWSA-N 2 1 344.330 3.670 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000436294073 1025559191 /nfs/dbraw/zinc/55/91/91/1025559191.db2.gz WULJABRXEFVUKC-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442888420 1025569923 /nfs/dbraw/zinc/56/99/23/1025569923.db2.gz GQIZTSWVXKSYAR-HXUWFJFHSA-N 2 1 331.548 3.698 20 0 EHADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1F ZINC000442888641 1025571884 /nfs/dbraw/zinc/57/18/84/1025571884.db2.gz GUQVTHILNGYLMH-MRXNPFEDSA-N 2 1 341.902 3.546 20 0 EHADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2)cs1 ZINC000442899158 1025583774 /nfs/dbraw/zinc/58/37/74/1025583774.db2.gz IXWJCQXOCPRXDD-MRXNPFEDSA-N 2 1 345.512 3.591 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629668 1025620232 /nfs/dbraw/zinc/62/02/32/1025620232.db2.gz DZVUXZPSHJKSSX-RXVVDRJESA-N 3 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000121629668 1025620241 /nfs/dbraw/zinc/62/02/41/1025620241.db2.gz DZVUXZPSHJKSSX-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000121629668 1025620249 /nfs/dbraw/zinc/62/02/49/1025620249.db2.gz DZVUXZPSHJKSSX-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629668 1025620262 /nfs/dbraw/zinc/62/02/62/1025620262.db2.gz DZVUXZPSHJKSSX-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP CCC[N@@H+](Cc1cc(Cl)c(OC)c(OCC)c1)C1CC[NH2+]CC1 ZINC000347176712 1025620807 /nfs/dbraw/zinc/62/08/07/1025620807.db2.gz QTGQVFGSPPKIAS-UHFFFAOYSA-N 2 1 340.895 3.711 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000436400934 1025682275 /nfs/dbraw/zinc/68/22/75/1025682275.db2.gz RDYOOYDIZBBKMF-UHFFFAOYSA-N 2 1 349.400 3.988 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000347229237 1025696803 /nfs/dbraw/zinc/69/68/03/1025696803.db2.gz KPMRKFRJCQTKTH-IXDOHACOSA-N 2 1 331.504 3.728 20 0 EHADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443079098 1025707529 /nfs/dbraw/zinc/70/75/29/1025707529.db2.gz YQPHSPKNQZCRLB-STQMWFEESA-N 2 1 334.851 3.512 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121733070 1025741177 /nfs/dbraw/zinc/74/11/77/1025741177.db2.gz GRZJHARTQBWLMZ-KRWDZBQOSA-N 3 1 340.515 3.953 20 0 EHADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414885566 1025750389 /nfs/dbraw/zinc/75/03/89/1025750389.db2.gz XEEPCVYWWAZUCX-VIFPVBQESA-N 2 1 330.284 3.801 20 0 EHADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407238 1025777948 /nfs/dbraw/zinc/77/79/48/1025777948.db2.gz GZDKQPYZSJVNSX-PMACEKPBSA-N 2 1 327.472 3.676 20 0 EHADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407390 1025782158 /nfs/dbraw/zinc/78/21/58/1025782158.db2.gz WUGPKIDBJATZFG-BDUNBXCCSA-N 2 1 327.472 3.528 20 0 EHADMP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530424977 1025797217 /nfs/dbraw/zinc/79/72/17/1025797217.db2.gz QTZMAWQDXYLIHY-YSIASYRMSA-N 2 1 332.532 3.674 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015261 1025820621 /nfs/dbraw/zinc/82/06/21/1025820621.db2.gz QJXHPMUFZBHGOB-OPVJXMOQSA-N 2 1 346.515 3.751 20 0 EHADMP C[C@@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443222391 1025824107 /nfs/dbraw/zinc/82/41/07/1025824107.db2.gz MUNMGNMUPIPPRJ-MJBXVCDLSA-N 2 1 346.450 3.871 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000611587860 1025932605 /nfs/dbraw/zinc/93/26/05/1025932605.db2.gz WZDZZPYKDVWNJS-UJMXGEILSA-N 2 1 330.541 3.771 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000657413568 1026104156 /nfs/dbraw/zinc/10/41/56/1026104156.db2.gz LYBILRYMIAILAI-QUCCMNQESA-N 2 1 348.531 3.558 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414890448 1026123170 /nfs/dbraw/zinc/12/31/70/1026123170.db2.gz MUNNKTNVEWCNTI-NRFANRHFSA-N 2 1 346.478 3.675 20 0 EHADMP CC(C)(C)OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000530626629 1026152058 /nfs/dbraw/zinc/15/20/58/1026152058.db2.gz QDVMCGHRZABCGJ-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530626629 1026152069 /nfs/dbraw/zinc/15/20/69/1026152069.db2.gz QDVMCGHRZABCGJ-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000530626629 1026152073 /nfs/dbraw/zinc/15/20/73/1026152073.db2.gz QDVMCGHRZABCGJ-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000582447387 1026280717 /nfs/dbraw/zinc/28/07/17/1026280717.db2.gz JVDNRAWWIMMZGQ-SESVDKBCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447387 1026280722 /nfs/dbraw/zinc/28/07/22/1026280722.db2.gz JVDNRAWWIMMZGQ-SESVDKBCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447387 1026280732 /nfs/dbraw/zinc/28/07/32/1026280732.db2.gz JVDNRAWWIMMZGQ-SESVDKBCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447387 1026280736 /nfs/dbraw/zinc/28/07/36/1026280736.db2.gz JVDNRAWWIMMZGQ-SESVDKBCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447387 1026280746 /nfs/dbraw/zinc/28/07/46/1026280746.db2.gz JVDNRAWWIMMZGQ-SESVDKBCSA-N 2 1 343.559 3.607 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905631 1026392178 /nfs/dbraw/zinc/39/21/78/1026392178.db2.gz UIJAUHSOTRIPFG-HUUCEWRRSA-N 2 1 344.421 3.889 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905631 1026392192 /nfs/dbraw/zinc/39/21/92/1026392192.db2.gz UIJAUHSOTRIPFG-HUUCEWRRSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905631 1026392201 /nfs/dbraw/zinc/39/22/01/1026392201.db2.gz UIJAUHSOTRIPFG-HUUCEWRRSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905631 1026392215 /nfs/dbraw/zinc/39/22/15/1026392215.db2.gz UIJAUHSOTRIPFG-HUUCEWRRSA-N 2 1 344.421 3.889 20 0 EHADMP C[N@@H+](Cc1cc(F)c(F)cc1Br)CC1CC[NH+](C)CC1 ZINC001142010841 1026520607 /nfs/dbraw/zinc/52/06/07/1026520607.db2.gz OGEWXEYRYICEIS-UHFFFAOYSA-N 2 1 347.247 3.501 20 0 EHADMP C[N@H+](Cc1cc(F)c(F)cc1Br)CC1CC[NH+](C)CC1 ZINC001142010841 1026520612 /nfs/dbraw/zinc/52/06/12/1026520612.db2.gz OGEWXEYRYICEIS-UHFFFAOYSA-N 2 1 347.247 3.501 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4noc5ccccc45)[C@@H]3C2)cc1 ZINC000582556678 1026583085 /nfs/dbraw/zinc/58/30/85/1026583085.db2.gz MZSZJAYWYAZRMJ-DFQSSKMNSA-N 2 1 347.462 3.828 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4noc5ccccc45)[C@@H]3C2)cc1 ZINC000582556678 1026583096 /nfs/dbraw/zinc/58/30/96/1026583096.db2.gz MZSZJAYWYAZRMJ-DFQSSKMNSA-N 2 1 347.462 3.828 20 0 EHADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931222 1026641917 /nfs/dbraw/zinc/64/19/17/1026641917.db2.gz YAKITPDBQFYAIZ-NQIIRXRSSA-N 2 1 338.495 3.825 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000122701982 1026700283 /nfs/dbraw/zinc/70/02/83/1026700283.db2.gz YWWGVVHLCVVENJ-UHFFFAOYSA-N 2 1 343.315 3.788 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000122701982 1026700297 /nfs/dbraw/zinc/70/02/97/1026700297.db2.gz YWWGVVHLCVVENJ-UHFFFAOYSA-N 2 1 343.315 3.788 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000531416712 1026911346 /nfs/dbraw/zinc/91/13/46/1026911346.db2.gz CCHUVAMTLLQLIX-OTWHNJEPSA-N 2 1 330.516 3.959 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000123073100 1026948071 /nfs/dbraw/zinc/94/80/71/1026948071.db2.gz IUFWHIJEPPQPCP-PJPHBNEVSA-N 2 1 336.442 3.587 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000657526633 1026974036 /nfs/dbraw/zinc/97/40/36/1026974036.db2.gz JUXFJZQLEVBSKV-VQTJNVASSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526633 1026974041 /nfs/dbraw/zinc/97/40/41/1026974041.db2.gz JUXFJZQLEVBSKV-VQTJNVASSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526633 1026974043 /nfs/dbraw/zinc/97/40/43/1026974043.db2.gz JUXFJZQLEVBSKV-VQTJNVASSA-N 2 1 341.543 3.646 20 0 EHADMP CCO[C@H](C)c1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000123287227 1027085944 /nfs/dbraw/zinc/08/59/44/1027085944.db2.gz PYOGUKKTVWKJCP-OAHLLOKOSA-N 2 1 339.549 3.794 20 0 EHADMP Fc1cccc(C2CC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)c1 ZINC000272944972 1027189095 /nfs/dbraw/zinc/18/90/95/1027189095.db2.gz MYKUGBFSBNRWRO-UHFFFAOYSA-N 2 1 346.490 3.696 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000531677654 1027202862 /nfs/dbraw/zinc/20/28/62/1027202862.db2.gz FVJVTXDVFBLPQV-IEBWSBKVSA-N 2 1 343.540 3.696 20 0 EHADMP Cn1cncc1CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000459279256 1027219361 /nfs/dbraw/zinc/21/93/61/1027219361.db2.gz LNHZUYKHGIIWLR-KRWDZBQOSA-N 2 1 329.494 3.733 20 0 EHADMP Cn1c[nH+]cc1CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000459279256 1027219390 /nfs/dbraw/zinc/21/93/90/1027219390.db2.gz LNHZUYKHGIIWLR-KRWDZBQOSA-N 2 1 329.494 3.733 20 0 EHADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cn2c1 ZINC000273022573 1027229877 /nfs/dbraw/zinc/22/98/77/1027229877.db2.gz UDSIIACOWYHFDM-UHFFFAOYSA-N 2 1 334.467 3.528 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915991 1027246818 /nfs/dbraw/zinc/24/68/18/1027246818.db2.gz OPDMPUOVVFGATR-KEYYUXOJSA-N 2 1 337.305 3.974 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915991 1027246838 /nfs/dbraw/zinc/24/68/38/1027246838.db2.gz OPDMPUOVVFGATR-KEYYUXOJSA-N 2 1 337.305 3.974 20 0 EHADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000453061111 1027311402 /nfs/dbraw/zinc/31/14/02/1027311402.db2.gz CVPGTIBZNAXDNP-IBGZPJMESA-N 2 1 337.511 3.831 20 0 EHADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000453061111 1027311421 /nfs/dbraw/zinc/31/14/21/1027311421.db2.gz CVPGTIBZNAXDNP-IBGZPJMESA-N 2 1 337.511 3.831 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C3CC3)C3CCCC3)CCCC2)CC1 ZINC000453102999 1027366920 /nfs/dbraw/zinc/36/69/20/1027366920.db2.gz AFTOYRABKYLWFK-FQEVSTJZSA-N 2 1 334.548 3.968 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453150891 1027422102 /nfs/dbraw/zinc/42/21/02/1027422102.db2.gz MUOFUYNPVZKEFO-UWHLTILDSA-N 2 1 330.516 3.570 20 0 EHADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453128766 1027430292 /nfs/dbraw/zinc/43/02/92/1027430292.db2.gz QWOQARSJTLHNKI-ZSYZGHEHSA-N 2 1 342.527 3.570 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000128419200 1027432336 /nfs/dbraw/zinc/43/23/36/1027432336.db2.gz UYQYAEFYSZUECI-HXUWFJFHSA-N 2 1 349.950 3.725 20 0 EHADMP CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000453130746 1027432618 /nfs/dbraw/zinc/43/26/18/1027432618.db2.gz SOHBMDPALVAYDB-UFYCRDLUSA-N 2 1 344.524 3.672 20 0 EHADMP CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000453130746 1027432621 /nfs/dbraw/zinc/43/26/21/1027432621.db2.gz SOHBMDPALVAYDB-UFYCRDLUSA-N 2 1 344.524 3.672 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1nccs1 ZINC000273468774 1027444958 /nfs/dbraw/zinc/44/49/58/1027444958.db2.gz ROITXYSJSDPBLS-OAHLLOKOSA-N 2 1 347.503 3.682 20 0 EHADMP COc1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420299418 1027448791 /nfs/dbraw/zinc/44/87/91/1027448791.db2.gz GLMRGPFQRFXLRD-INIZCTEOSA-N 2 1 330.497 3.759 20 0 EHADMP Fc1ccc(Br)cc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420298702 1027448913 /nfs/dbraw/zinc/44/89/13/1027448913.db2.gz FUYCHORXJWQCCF-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000420298486 1027449182 /nfs/dbraw/zinc/44/91/82/1027449182.db2.gz HFMZZKKDLSWMOD-UKRRQHHQSA-N 2 1 346.421 3.635 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000420298486 1027449195 /nfs/dbraw/zinc/44/91/95/1027449195.db2.gz HFMZZKKDLSWMOD-UKRRQHHQSA-N 2 1 346.421 3.635 20 0 EHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420306824 1027456234 /nfs/dbraw/zinc/45/62/34/1027456234.db2.gz BOKWABLMNXQIHF-GOSISDBHSA-N 2 1 344.890 3.809 20 0 EHADMP CCc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420307020 1027458113 /nfs/dbraw/zinc/45/81/13/1027458113.db2.gz IFXCBZPNPARLTP-GOSISDBHSA-N 2 1 341.524 3.850 20 0 EHADMP CCc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420307020 1027458126 /nfs/dbraw/zinc/45/81/26/1027458126.db2.gz IFXCBZPNPARLTP-GOSISDBHSA-N 2 1 341.524 3.850 20 0 EHADMP c1cc(C[N@H+](CC[C@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420320731 1027466200 /nfs/dbraw/zinc/46/62/00/1027466200.db2.gz YYPSITKKSWDUEF-MSOLQXFVSA-N 2 1 334.529 3.651 20 0 EHADMP CCC[N@@H+](Cc1cccc(Br)c1C)C1CC[NH2+]CC1 ZINC000420326605 1027479774 /nfs/dbraw/zinc/47/97/74/1027479774.db2.gz XPSCSEZZCWRDTH-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334938 1027483117 /nfs/dbraw/zinc/48/31/17/1027483117.db2.gz UOPUJXAKSPRMJT-OCCSQVGLSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334938 1027483124 /nfs/dbraw/zinc/48/31/24/1027483124.db2.gz UOPUJXAKSPRMJT-OCCSQVGLSA-N 2 1 343.298 3.742 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420333613 1027483133 /nfs/dbraw/zinc/48/31/33/1027483133.db2.gz FJTKMFKXXPQHJX-RTBURBONSA-N 2 1 328.500 3.636 20 0 EHADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCC[NH2+]C1 ZINC000420368196 1027495088 /nfs/dbraw/zinc/49/50/88/1027495088.db2.gz HODUVWNUNBOCRV-JKSUJKDBSA-N 2 1 333.545 3.591 20 0 EHADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)cc1Cl ZINC000420381544 1027502177 /nfs/dbraw/zinc/50/21/77/1027502177.db2.gz XSMKOZAKSFLJPK-LLVKDONJSA-N 2 1 331.685 3.534 20 0 EHADMP CCCc1ccc([C@@H](NCc2nc(C(C)(C)N)no2)C(C)C)cc1 ZINC000420374091 1027513041 /nfs/dbraw/zinc/51/30/41/1027513041.db2.gz NCUOHLWPVFXJEQ-KRWDZBQOSA-N 2 1 330.476 3.703 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000501813132 1027543751 /nfs/dbraw/zinc/54/37/51/1027543751.db2.gz NKGQXCUOCVBLQE-UHFFFAOYSA-N 2 1 348.531 3.574 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@H](C)O1 ZINC000459324998 1027612121 /nfs/dbraw/zinc/61/21/21/1027612121.db2.gz LQJAUFHXRWXYRW-IYBDPMFKSA-N 2 1 344.490 3.633 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(N2CCCC2)n1 ZINC000131358856 1027772209 /nfs/dbraw/zinc/77/22/09/1027772209.db2.gz MYRGWSNJFMZRMQ-UHFFFAOYSA-N 2 1 342.531 3.569 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607473 1027793390 /nfs/dbraw/zinc/79/33/90/1027793390.db2.gz GTCBJVHUXQOZIE-JKSUJKDBSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607473 1027793404 /nfs/dbraw/zinc/79/34/04/1027793404.db2.gz GTCBJVHUXQOZIE-JKSUJKDBSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607473 1027793423 /nfs/dbraw/zinc/79/34/23/1027793423.db2.gz GTCBJVHUXQOZIE-JKSUJKDBSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000414476860 1027805377 /nfs/dbraw/zinc/80/53/77/1027805377.db2.gz BPNDJWLBLLQPRH-KRWDZBQOSA-N 2 1 328.460 3.768 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C(C)(C)C)c1 ZINC000414682211 1027872232 /nfs/dbraw/zinc/87/22/32/1027872232.db2.gz YCYRQQJOHIHWID-HZPDHXFCSA-N 2 1 334.504 3.692 20 0 EHADMP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000503559390 1027893980 /nfs/dbraw/zinc/89/39/80/1027893980.db2.gz GUEBSYJOEGEMDM-YVGNARHYSA-N 2 1 326.406 3.992 20 0 EHADMP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000503559390 1027894002 /nfs/dbraw/zinc/89/40/02/1027894002.db2.gz GUEBSYJOEGEMDM-YVGNARHYSA-N 2 1 326.406 3.992 20 0 EHADMP CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913864 1027897877 /nfs/dbraw/zinc/89/78/77/1027897877.db2.gz BLCRGBTWQFDADJ-WOJBJXKFSA-N 2 1 348.556 3.673 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422736493 1027905323 /nfs/dbraw/zinc/90/53/23/1027905323.db2.gz GGLNKLPBYCYUED-QHAWAJNXSA-N 3 1 329.532 3.539 20 0 EHADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422736493 1027905327 /nfs/dbraw/zinc/90/53/27/1027905327.db2.gz GGLNKLPBYCYUED-QHAWAJNXSA-N 2 1 329.532 3.539 20 0 EHADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422736493 1027905337 /nfs/dbraw/zinc/90/53/37/1027905337.db2.gz GGLNKLPBYCYUED-QHAWAJNXSA-N 2 1 329.532 3.539 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422842978 1028003790 /nfs/dbraw/zinc/00/37/90/1028003790.db2.gz ZYVBBHZFYRYUCU-LNRXMEIDSA-N 2 1 343.559 3.970 20 0 EHADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(O[C@@H]2CCOC2)c1 ZINC000422870458 1028029731 /nfs/dbraw/zinc/02/97/31/1028029731.db2.gz BSUSWHBNEJOIMC-YZGWKJHDSA-N 2 1 346.515 3.563 20 0 EHADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422914669 1028048447 /nfs/dbraw/zinc/04/84/47/1028048447.db2.gz VJHOSXHFFFLUHF-ZFWWWQNUSA-N 2 1 337.471 3.630 20 0 EHADMP [NH3+][C@H]1CCC[C@@H]1NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963994 1028075911 /nfs/dbraw/zinc/07/59/11/1028075911.db2.gz KDMKEAAINSRZEL-GOTSBHOMSA-N 2 1 349.522 3.919 20 0 EHADMP N[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963994 1028075933 /nfs/dbraw/zinc/07/59/33/1028075933.db2.gz KDMKEAAINSRZEL-GOTSBHOMSA-N 2 1 349.522 3.919 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)c2ccccc21 ZINC000422956191 1028093886 /nfs/dbraw/zinc/09/38/86/1028093886.db2.gz ONFZVSUIUGXCGZ-MOPGFXCFSA-N 2 1 333.435 3.738 20 0 EHADMP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423045478 1028150550 /nfs/dbraw/zinc/15/05/50/1028150550.db2.gz SEWKBKWUHLWHFW-DOIPELPJSA-N 2 1 344.474 3.508 20 0 EHADMP Cc1ccc2c(CC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])cn(C)c2c1 ZINC000423059321 1028154182 /nfs/dbraw/zinc/15/41/82/1028154182.db2.gz LPQGOEFURVSRBD-LAUBAEHRSA-N 2 1 335.495 3.577 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503858130 1028172335 /nfs/dbraw/zinc/17/23/35/1028172335.db2.gz QRPZZZOGMIGOLN-BZZMCLGOSA-N 2 1 338.442 3.789 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503858130 1028172344 /nfs/dbraw/zinc/17/23/44/1028172344.db2.gz QRPZZZOGMIGOLN-BZZMCLGOSA-N 2 1 338.442 3.789 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423088419 1028175174 /nfs/dbraw/zinc/17/51/74/1028175174.db2.gz RZKVFLHVTWQENQ-SECBINFHSA-N 2 1 325.790 3.631 20 0 EHADMP COCc1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423100943 1028183005 /nfs/dbraw/zinc/18/30/05/1028183005.db2.gz NCJRSOGWBMOBGF-JKSUJKDBSA-N 2 1 345.512 3.564 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]1 ZINC000414716116 1028186336 /nfs/dbraw/zinc/18/63/36/1028186336.db2.gz ZGTULUIVKRESQU-JHJVBQTASA-N 2 1 347.450 3.729 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104315 1028196073 /nfs/dbraw/zinc/19/60/73/1028196073.db2.gz YGGGFYGOUDMWEI-UBLBEHAFSA-N 2 1 330.422 3.759 20 0 EHADMP [NH2+]=C(Nc1ccc2nc(-c3ccc(Cl)cc3)cn2c1)SCC[NH3+] ZINC001167912865 1028223164 /nfs/dbraw/zinc/22/31/64/1028223164.db2.gz SKWPFNHKIWGKSR-UHFFFAOYSA-N 2 1 345.859 3.693 20 0 EHADMP Clc1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423185167 1028232452 /nfs/dbraw/zinc/23/24/52/1028232452.db2.gz JMDUQQKNKMFUDN-IBGZPJMESA-N 2 1 329.875 3.956 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000423208149 1028253947 /nfs/dbraw/zinc/25/39/47/1028253947.db2.gz DDNOFTLKKJCXQB-WOPDTQHZSA-N 2 1 329.257 3.627 20 0 EHADMP CC1CCC(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000414722213 1028274653 /nfs/dbraw/zinc/27/46/53/1028274653.db2.gz LGTSWYQKMSASFD-OFLPRAFFSA-N 2 1 333.545 3.914 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423219508 1028285863 /nfs/dbraw/zinc/28/58/63/1028285863.db2.gz TZZWISSTWVGZAQ-ULQDDVLXSA-N 2 1 325.456 3.913 20 0 EHADMP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423221432 1028288779 /nfs/dbraw/zinc/28/87/79/1028288779.db2.gz ZVQKSPVIDLBNJA-MEDUHNTESA-N 2 1 341.268 3.629 20 0 EHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423282614 1028324178 /nfs/dbraw/zinc/32/41/78/1028324178.db2.gz CYAKMCNABGAQQX-LLVKDONJSA-N 2 1 329.282 3.626 20 0 EHADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319098 1028349078 /nfs/dbraw/zinc/34/90/78/1028349078.db2.gz LOHBRNLKOIBLIA-XOBRGWDASA-N 2 1 328.431 3.793 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964986 1028377215 /nfs/dbraw/zinc/37/72/15/1028377215.db2.gz ZHNPAKBBIAEXQN-XUVXKRRUSA-N 2 1 328.500 3.731 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964986 1028377220 /nfs/dbraw/zinc/37/72/20/1028377220.db2.gz ZHNPAKBBIAEXQN-XUVXKRRUSA-N 2 1 328.500 3.731 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@H]1Sc1ccccc1 ZINC000459379790 1028408274 /nfs/dbraw/zinc/40/82/74/1028408274.db2.gz ARIVXVYZFUIBJU-IPMKNSEASA-N 2 1 345.512 3.510 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423442139 1028432908 /nfs/dbraw/zinc/43/29/08/1028432908.db2.gz VAMYOAKEHLLPTN-CWJKEVGVSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423442139 1028432917 /nfs/dbraw/zinc/43/29/17/1028432917.db2.gz VAMYOAKEHLLPTN-CWJKEVGVSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423436527 1028444460 /nfs/dbraw/zinc/44/44/60/1028444460.db2.gz PSTZHDRLKALCQJ-ZHHKINOHSA-N 3 1 343.559 3.784 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000423489242 1028477908 /nfs/dbraw/zinc/47/79/08/1028477908.db2.gz XCFNRWXRESNRQI-HNNXBMFYSA-N 3 1 345.522 3.500 20 0 EHADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195132657 1028583973 /nfs/dbraw/zinc/58/39/73/1028583973.db2.gz XWWUWBXZNOUXJS-MJGOQNOKSA-N 2 1 326.488 3.637 20 0 EHADMP Cn1nccc1-c1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000509669709 1028712299 /nfs/dbraw/zinc/71/22/99/1028712299.db2.gz XWLKEFQSLNQLIU-UHFFFAOYSA-N 2 1 340.515 3.831 20 0 EHADMP C[C@@H](NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000247068383 1028737649 /nfs/dbraw/zinc/73/76/49/1028737649.db2.gz PZSCTGYJJPXVJS-IXDOHACOSA-N 2 1 328.456 3.740 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099049 1028746812 /nfs/dbraw/zinc/74/68/12/1028746812.db2.gz OETGYHXMCFHGQP-QFBILLFUSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099049 1028746829 /nfs/dbraw/zinc/74/68/29/1028746829.db2.gz OETGYHXMCFHGQP-QFBILLFUSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099049 1028746848 /nfs/dbraw/zinc/74/68/48/1028746848.db2.gz OETGYHXMCFHGQP-QFBILLFUSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099049 1028746864 /nfs/dbraw/zinc/74/68/64/1028746864.db2.gz OETGYHXMCFHGQP-QFBILLFUSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246933875 1028748153 /nfs/dbraw/zinc/74/81/53/1028748153.db2.gz HHECAWHUFROVLY-NUJGCVRESA-N 2 1 335.923 3.547 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC12CCOCC2 ZINC000414771771 1028766218 /nfs/dbraw/zinc/76/62/18/1028766218.db2.gz ANYRZGGPNLIKMD-DQVLVPHSSA-N 2 1 342.527 3.648 20 0 EHADMP CCCCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414771798 1028769356 /nfs/dbraw/zinc/76/93/56/1028769356.db2.gz RQSQQDFDHLUUFI-KDURUIRLSA-N 2 1 346.515 3.696 20 0 EHADMP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000421800320 1028790743 /nfs/dbraw/zinc/79/07/43/1028790743.db2.gz HGKWWLQYKSEJEX-SFHVURJKSA-N 2 1 330.516 3.978 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000421828640 1028819106 /nfs/dbraw/zinc/81/91/06/1028819106.db2.gz DQMXWANKAIKEIF-WSTZPKSXSA-N 2 1 330.516 3.977 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000421828640 1028819123 /nfs/dbraw/zinc/81/91/23/1028819123.db2.gz DQMXWANKAIKEIF-WSTZPKSXSA-N 2 1 330.516 3.977 20 0 EHADMP CCN(CC[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000524082024 1028845021 /nfs/dbraw/zinc/84/50/21/1028845021.db2.gz ODTYEJLXDZJWJR-TZIWHRDSSA-N 2 1 329.532 3.630 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000248462856 1028914000 /nfs/dbraw/zinc/91/40/00/1028914000.db2.gz YPAVYKTUTZSCOD-LPHOPBHVSA-N 2 1 344.524 3.864 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC(C)C ZINC000414781587 1028935529 /nfs/dbraw/zinc/93/55/29/1028935529.db2.gz NFZCLIWDIDBTMB-MOPGFXCFSA-N 2 1 346.515 3.552 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccsc3)n1)CC[NH2+]CC2 ZINC000424295903 1028938942 /nfs/dbraw/zinc/93/89/42/1028938942.db2.gz RPQZGHJDWCKDLT-CYBMUJFWSA-N 2 1 333.526 3.836 20 0 EHADMP Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000248883135 1028959244 /nfs/dbraw/zinc/95/92/44/1028959244.db2.gz LHJQFYMAEHIRJY-JPGZLTHCSA-N 2 1 328.500 3.678 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccnc1Cl ZINC000162553555 1028998220 /nfs/dbraw/zinc/99/82/20/1028998220.db2.gz NVIKCQKGBNQJGL-AWEZNQCLSA-N 2 1 333.863 3.526 20 0 EHADMP CSC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424373311 1029034732 /nfs/dbraw/zinc/03/47/32/1029034732.db2.gz JMYKJXMZWAGFSL-RBSFLKMASA-N 2 1 332.435 3.969 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000154137189 1029034854 /nfs/dbraw/zinc/03/48/54/1029034854.db2.gz GBIDRPRBJLQPTB-QRQLOZEOSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000154137189 1029034870 /nfs/dbraw/zinc/03/48/70/1029034870.db2.gz GBIDRPRBJLQPTB-QRQLOZEOSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccccc3)cs1)CC[NH2+]CC2 ZINC000424379379 1029036377 /nfs/dbraw/zinc/03/63/77/1029036377.db2.gz OOLJCEAESKFUOF-HNNXBMFYSA-N 2 1 327.497 3.774 20 0 EHADMP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414788918 1029077792 /nfs/dbraw/zinc/07/77/92/1029077792.db2.gz NDHVORNHPZSKFR-UHFFFAOYSA-N 2 1 346.906 3.665 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809531 1029261950 /nfs/dbraw/zinc/26/19/50/1029261950.db2.gz GVBQYTWADHAYOD-OLZOCXBDSA-N 2 1 345.409 3.530 20 0 EHADMP CCC(CC)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245767925 1029266263 /nfs/dbraw/zinc/26/62/63/1029266263.db2.gz WSOJWQMYTRJWCZ-WOZUAGRISA-N 2 1 330.516 3.569 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@@H](C)C1 ZINC000245794771 1029309042 /nfs/dbraw/zinc/30/90/42/1029309042.db2.gz WTJQACIAHYSPCY-SUMWQHHRSA-N 2 1 348.441 3.517 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000414823347 1029437475 /nfs/dbraw/zinc/43/74/75/1029437475.db2.gz OFFXDOKFBSWWKO-RKDXNWHRSA-N 2 1 337.714 3.642 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000272377437 1029439338 /nfs/dbraw/zinc/43/93/38/1029439338.db2.gz DBOZLCIKJLCQAO-NNZMDNLPSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000272377437 1029439340 /nfs/dbraw/zinc/43/93/40/1029439340.db2.gz DBOZLCIKJLCQAO-NNZMDNLPSA-N 2 1 327.497 3.737 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261751137 1029496820 /nfs/dbraw/zinc/49/68/20/1029496820.db2.gz QCQVZLFVMDBWTK-IIBYNOLFSA-N 2 1 337.467 3.671 20 0 EHADMP CC[N@@H+](Cc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1)C(C)C ZINC000261911828 1029527804 /nfs/dbraw/zinc/52/78/04/1029527804.db2.gz ZUHJASWLECSLDU-UHFFFAOYSA-N 2 1 328.460 3.695 20 0 EHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC001204864486 1029549965 /nfs/dbraw/zinc/54/99/65/1029549965.db2.gz VHCJGOZTAPTPLL-MFKMUULPSA-N 2 1 337.241 3.916 20 0 EHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC001204864486 1029549979 /nfs/dbraw/zinc/54/99/79/1029549979.db2.gz VHCJGOZTAPTPLL-MFKMUULPSA-N 2 1 337.241 3.916 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)c1 ZINC000647288189 1029705873 /nfs/dbraw/zinc/70/58/73/1029705873.db2.gz RIQKQLXXYOPPIA-MRXNPFEDSA-N 2 1 326.488 3.522 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)c1 ZINC000647288189 1029705880 /nfs/dbraw/zinc/70/58/80/1029705880.db2.gz RIQKQLXXYOPPIA-MRXNPFEDSA-N 2 1 326.488 3.522 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823864 1029808807 /nfs/dbraw/zinc/80/88/07/1029808807.db2.gz QLKNDJSJGBVNBN-VQIMIIECSA-N 2 1 336.545 3.755 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823864 1029808815 /nfs/dbraw/zinc/80/88/15/1029808815.db2.gz QLKNDJSJGBVNBN-VQIMIIECSA-N 2 1 336.545 3.755 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCC1 ZINC000446828591 1029811768 /nfs/dbraw/zinc/81/17/68/1029811768.db2.gz WSVVBNBKCUAGEJ-ZIFCJYIRSA-N 2 1 336.545 3.926 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCC1 ZINC000446828591 1029811778 /nfs/dbraw/zinc/81/17/78/1029811778.db2.gz WSVVBNBKCUAGEJ-ZIFCJYIRSA-N 2 1 336.545 3.926 20 0 EHADMP O[C@]1(C[NH2+]Cc2cccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000525463905 1029859122 /nfs/dbraw/zinc/85/91/22/1029859122.db2.gz DHVMRMWSFCIISL-QHCPKHFHSA-N 2 1 346.474 3.566 20 0 EHADMP O[C@]1(C[NH2+]Cc2cccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000525463905 1029859132 /nfs/dbraw/zinc/85/91/32/1029859132.db2.gz DHVMRMWSFCIISL-QHCPKHFHSA-N 2 1 346.474 3.566 20 0 EHADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453198833 1029899627 /nfs/dbraw/zinc/89/96/27/1029899627.db2.gz ONVPCQCOURRWIO-KGWSWXIGSA-N 2 1 342.527 3.570 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)[C@H](C)C1 ZINC000453243126 1029969733 /nfs/dbraw/zinc/96/97/33/1029969733.db2.gz YNDUOAHBUINRTI-TYCQWZJGSA-N 2 1 348.506 3.930 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000157679276 1029983257 /nfs/dbraw/zinc/98/32/57/1029983257.db2.gz SLOAYIWMNUCBDW-AFVSCTSBSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000157679276 1029983266 /nfs/dbraw/zinc/98/32/66/1029983266.db2.gz SLOAYIWMNUCBDW-AFVSCTSBSA-N 2 1 337.305 3.767 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707577 1030001386 /nfs/dbraw/zinc/00/13/86/1030001386.db2.gz IWKIAUPPDZNAMP-RAIGVLPGSA-N 2 1 349.327 3.773 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707577 1030001397 /nfs/dbraw/zinc/00/13/97/1030001397.db2.gz IWKIAUPPDZNAMP-RAIGVLPGSA-N 2 1 349.327 3.773 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453241939 1030010835 /nfs/dbraw/zinc/01/08/35/1030010835.db2.gz UVPRIEQEOAVBKQ-CABCVRRESA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453241939 1030010856 /nfs/dbraw/zinc/01/08/56/1030010856.db2.gz UVPRIEQEOAVBKQ-CABCVRRESA-N 2 1 340.389 3.791 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)ccn1 ZINC000453285646 1030028687 /nfs/dbraw/zinc/02/86/87/1030028687.db2.gz JXKPBELFCHCDKJ-YPAWHYETSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650710154 1030039357 /nfs/dbraw/zinc/03/93/57/1030039357.db2.gz GEFPYQCGDNPJIN-GOEBONIOSA-N 2 1 329.419 3.633 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531947140 1030116301 /nfs/dbraw/zinc/11/63/01/1030116301.db2.gz GFPZFQXGQMLVBW-SJORKVTESA-N 2 1 343.515 3.734 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000481920941 1030121367 /nfs/dbraw/zinc/12/13/67/1030121367.db2.gz WGMCGJVUVNRFKC-COXVUDFISA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000481920941 1030121378 /nfs/dbraw/zinc/12/13/78/1030121378.db2.gz WGMCGJVUVNRFKC-COXVUDFISA-N 2 1 326.406 3.853 20 0 EHADMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453340083 1030124632 /nfs/dbraw/zinc/12/46/32/1030124632.db2.gz BYRUNZSHRVGDSG-LDLYASANSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000481975453 1030144325 /nfs/dbraw/zinc/14/43/25/1030144325.db2.gz SFJCLAAGSIIZKL-VWPQPMDRSA-N 2 1 343.559 3.607 20 0 EHADMP c1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657771568 1030148787 /nfs/dbraw/zinc/14/87/87/1030148787.db2.gz DCPOMGKQFUYAPW-KRWDZBQOSA-N 2 1 327.497 3.535 20 0 EHADMP c1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657771568 1030148794 /nfs/dbraw/zinc/14/87/94/1030148794.db2.gz DCPOMGKQFUYAPW-KRWDZBQOSA-N 2 1 327.497 3.535 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@]4(CCOC4)C2)C3)cc1 ZINC000453359131 1030154790 /nfs/dbraw/zinc/15/47/90/1030154790.db2.gz JVIBBUOOLWWTFR-LRSLUSHPSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@]4(CCOC4)C2)C3)cc1 ZINC000453359131 1030154798 /nfs/dbraw/zinc/15/47/98/1030154798.db2.gz JVIBBUOOLWWTFR-LRSLUSHPSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@]4(CCOC4)C2)C3)cc1 ZINC000453359131 1030154800 /nfs/dbraw/zinc/15/48/00/1030154800.db2.gz JVIBBUOOLWWTFR-LRSLUSHPSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@@]4(CCOC4)C2)C3)cc1 ZINC000453359128 1030155552 /nfs/dbraw/zinc/15/55/52/1030155552.db2.gz JVIBBUOOLWWTFR-CLAROIROSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@@]4(CCOC4)C2)C3)cc1 ZINC000453359128 1030155555 /nfs/dbraw/zinc/15/55/55/1030155555.db2.gz JVIBBUOOLWWTFR-CLAROIROSA-N 2 1 340.511 3.685 20 0 EHADMP Fc1cc(F)cc(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453381860 1030163201 /nfs/dbraw/zinc/16/32/01/1030163201.db2.gz RJDPYJBYSXJUQO-PMACEKPBSA-N 2 1 334.454 3.846 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@H]3CCc4ccccc4N3)CC[NH2+]2)cc1 ZINC000650721166 1030186002 /nfs/dbraw/zinc/18/60/02/1030186002.db2.gz SVNNUIAUTUBBAS-SJBKTWHCSA-N 2 1 335.495 3.886 20 0 EHADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000453373070 1030193119 /nfs/dbraw/zinc/19/31/19/1030193119.db2.gz OKYRIOUTVMQRQO-KJRRRBQDSA-N 2 1 328.500 3.585 20 0 EHADMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000657773996 1030262633 /nfs/dbraw/zinc/26/26/33/1030262633.db2.gz WOQKQLIUCJVTKS-FQEVSTJZSA-N 2 1 335.495 3.782 20 0 EHADMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000657773996 1030262652 /nfs/dbraw/zinc/26/26/52/1030262652.db2.gz WOQKQLIUCJVTKS-FQEVSTJZSA-N 2 1 335.495 3.782 20 0 EHADMP COC(=O)C(C)(C)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978365 1030296030 /nfs/dbraw/zinc/29/60/30/1030296030.db2.gz SJIHQOOXSUTQRG-HKUYNNGSSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978365 1030296050 /nfs/dbraw/zinc/29/60/50/1030296050.db2.gz SJIHQOOXSUTQRG-HKUYNNGSSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978365 1030296056 /nfs/dbraw/zinc/29/60/56/1030296056.db2.gz SJIHQOOXSUTQRG-HKUYNNGSSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978365 1030296064 /nfs/dbraw/zinc/29/60/64/1030296064.db2.gz SJIHQOOXSUTQRG-HKUYNNGSSA-N 2 1 346.515 3.561 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)[C@@H](C)C1 ZINC000532196048 1030471813 /nfs/dbraw/zinc/47/18/13/1030471813.db2.gz MBIALSHEOMYBCW-LAUBAEHRSA-N 2 1 342.483 3.816 20 0 EHADMP COc1cccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092820938 1030525503 /nfs/dbraw/zinc/52/55/03/1030525503.db2.gz GQIZRLYBDWPBKS-UHFFFAOYSA-N 2 1 339.483 3.829 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000482556612 1030530970 /nfs/dbraw/zinc/53/09/70/1030530970.db2.gz ODDJYQIOIXMXOG-UXHICEINSA-N 2 1 349.950 3.593 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000482556617 1030531266 /nfs/dbraw/zinc/53/12/66/1030531266.db2.gz ODDJYQIOIXMXOG-WOJBJXKFSA-N 2 1 349.950 3.593 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1ccnn1-c1ccccc1)C1CCCCC1 ZINC000447931570 1030609118 /nfs/dbraw/zinc/60/91/18/1030609118.db2.gz PLJWUEKDGGBKKN-UHFFFAOYSA-N 2 1 326.488 3.617 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1ccnn1-c1ccccc1)C1CCCCC1 ZINC000447931570 1030609122 /nfs/dbraw/zinc/60/91/22/1030609122.db2.gz PLJWUEKDGGBKKN-UHFFFAOYSA-N 2 1 326.488 3.617 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650750487 1030636266 /nfs/dbraw/zinc/63/62/66/1030636266.db2.gz GALOURTXWZEZCB-UIFIKXQLSA-N 2 1 335.495 3.523 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650750487 1030636275 /nfs/dbraw/zinc/63/62/75/1030636275.db2.gz GALOURTXWZEZCB-UIFIKXQLSA-N 2 1 335.495 3.523 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCc1nccs1 ZINC000093843979 1030684941 /nfs/dbraw/zinc/68/49/41/1030684941.db2.gz HYIPTRYMSUFOKT-UHFFFAOYSA-N 2 1 331.529 3.776 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCc1nccs1 ZINC000093843979 1030684943 /nfs/dbraw/zinc/68/49/43/1030684943.db2.gz HYIPTRYMSUFOKT-UHFFFAOYSA-N 2 1 331.529 3.776 20 0 EHADMP C[NH+](CCc1nccs1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093843979 1030684948 /nfs/dbraw/zinc/68/49/48/1030684948.db2.gz HYIPTRYMSUFOKT-UHFFFAOYSA-N 2 1 331.529 3.776 20 0 EHADMP C[NH+](CCc1nccs1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093843979 1030684951 /nfs/dbraw/zinc/68/49/51/1030684951.db2.gz HYIPTRYMSUFOKT-UHFFFAOYSA-N 2 1 331.529 3.776 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000551050733 1030980817 /nfs/dbraw/zinc/98/08/17/1030980817.db2.gz KZKDEFWUTZMCNE-CENDIDJXSA-N 2 1 328.500 3.615 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000551050733 1030980836 /nfs/dbraw/zinc/98/08/36/1030980836.db2.gz KZKDEFWUTZMCNE-CENDIDJXSA-N 2 1 328.500 3.615 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000483130560 1030991407 /nfs/dbraw/zinc/99/14/07/1030991407.db2.gz XMBCGLJCTOPNKF-ICSRJNTNSA-N 2 1 348.531 3.571 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000551083500 1031024505 /nfs/dbraw/zinc/02/45/05/1031024505.db2.gz FDMZPKDWQKQDIW-BURNTYAHSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000551083500 1031024524 /nfs/dbraw/zinc/02/45/24/1031024524.db2.gz FDMZPKDWQKQDIW-BURNTYAHSA-N 2 1 330.516 3.743 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)CCS2 ZINC000343470365 1031027000 /nfs/dbraw/zinc/02/70/00/1031027000.db2.gz SAVPNMGKIABMHL-CRAIPNDOSA-N 2 1 334.529 3.944 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccncc1Cl ZINC000527638335 1031064279 /nfs/dbraw/zinc/06/42/79/1031064279.db2.gz RJJHVDLGDSLYAO-UHFFFAOYSA-N 2 1 347.890 3.745 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc(C(F)(F)F)c1 ZINC000527635870 1031064481 /nfs/dbraw/zinc/06/44/81/1031064481.db2.gz ONSVGMKHALVELY-UHFFFAOYSA-N 2 1 344.421 3.924 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527646160 1031074296 /nfs/dbraw/zinc/07/42/96/1031074296.db2.gz ROXJQSKPQVLBRW-UXHICEINSA-N 2 1 330.516 3.803 20 0 EHADMP COc1ccc(F)cc1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176599 1031076628 /nfs/dbraw/zinc/07/66/28/1031076628.db2.gz ZIQYBJNVHPPMEF-RBUKOAKNSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000551176599 1031076646 /nfs/dbraw/zinc/07/66/46/1031076646.db2.gz ZIQYBJNVHPPMEF-RBUKOAKNSA-N 2 1 328.431 3.759 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289462 1031089214 /nfs/dbraw/zinc/08/92/14/1031089214.db2.gz NCTKFASBSRBZIL-CQSZACIVSA-N 2 1 334.410 3.998 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289462 1031089233 /nfs/dbraw/zinc/08/92/33/1031089233.db2.gz NCTKFASBSRBZIL-CQSZACIVSA-N 2 1 334.410 3.998 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289462 1031089252 /nfs/dbraw/zinc/08/92/52/1031089252.db2.gz NCTKFASBSRBZIL-CQSZACIVSA-N 2 1 334.410 3.998 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289462 1031089269 /nfs/dbraw/zinc/08/92/69/1031089269.db2.gz NCTKFASBSRBZIL-CQSZACIVSA-N 2 1 334.410 3.998 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000483310379 1031105509 /nfs/dbraw/zinc/10/55/09/1031105509.db2.gz CNYLQDHAANGYFU-QUCCMNQESA-N 2 1 332.532 3.818 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(C)c1OC(F)F ZINC000537698376 1031142431 /nfs/dbraw/zinc/14/24/31/1031142431.db2.gz YMXBXZHFYDNANF-IAGOWNOFSA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698376 1031142436 /nfs/dbraw/zinc/14/24/36/1031142436.db2.gz YMXBXZHFYDNANF-IAGOWNOFSA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698376 1031142444 /nfs/dbraw/zinc/14/24/44/1031142444.db2.gz YMXBXZHFYDNANF-IAGOWNOFSA-N 2 1 338.442 3.821 20 0 EHADMP COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000537698690 1031183042 /nfs/dbraw/zinc/18/30/42/1031183042.db2.gz WEDPADWDNIXKHT-UYAOXDASSA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698690 1031183050 /nfs/dbraw/zinc/18/30/50/1031183050.db2.gz WEDPADWDNIXKHT-UYAOXDASSA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698690 1031183057 /nfs/dbraw/zinc/18/30/57/1031183057.db2.gz WEDPADWDNIXKHT-UYAOXDASSA-N 2 1 328.500 3.761 20 0 EHADMP CCCOc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000527807201 1031282522 /nfs/dbraw/zinc/28/25/22/1031282522.db2.gz NEZQSIUAEVPZRL-GOSISDBHSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000527807201 1031282540 /nfs/dbraw/zinc/28/25/40/1031282540.db2.gz NEZQSIUAEVPZRL-GOSISDBHSA-N 2 1 332.488 3.591 20 0 EHADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854352 1031380066 /nfs/dbraw/zinc/38/00/66/1031380066.db2.gz CCDQPEAYFLHBAP-IRLDBZIGSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854352 1031380076 /nfs/dbraw/zinc/38/00/76/1031380076.db2.gz CCDQPEAYFLHBAP-IRLDBZIGSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854352 1031380088 /nfs/dbraw/zinc/38/00/88/1031380088.db2.gz CCDQPEAYFLHBAP-IRLDBZIGSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854352 1031380098 /nfs/dbraw/zinc/38/00/98/1031380098.db2.gz CCDQPEAYFLHBAP-IRLDBZIGSA-N 2 1 345.575 3.996 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976254 1031412395 /nfs/dbraw/zinc/41/23/95/1031412395.db2.gz ONSGDEJNGMNYEA-KGLIPLIRSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976254 1031412405 /nfs/dbraw/zinc/41/24/05/1031412405.db2.gz ONSGDEJNGMNYEA-KGLIPLIRSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976254 1031412419 /nfs/dbraw/zinc/41/24/19/1031412419.db2.gz ONSGDEJNGMNYEA-KGLIPLIRSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976254 1031412430 /nfs/dbraw/zinc/41/24/30/1031412430.db2.gz ONSGDEJNGMNYEA-KGLIPLIRSA-N 2 1 328.859 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC/C=C\c2ccc(Br)cc2)CC[N@H+]1C ZINC000527928717 1031431470 /nfs/dbraw/zinc/43/14/70/1031431470.db2.gz GTUYPOMAUJTQNZ-DKJXMLAJSA-N 2 1 337.305 3.925 20 0 EHADMP Fc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1OCC(F)(F)F ZINC000666997116 1031456106 /nfs/dbraw/zinc/45/61/06/1031456106.db2.gz XQOXKHACUACWAZ-ZDUSSCGKSA-N 2 1 346.368 3.531 20 0 EHADMP CCCOc1c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cccc1OCC ZINC000666999515 1031485236 /nfs/dbraw/zinc/48/52/36/1031485236.db2.gz RBYBDEWOCUYIRU-QGZVFWFLSA-N 2 1 332.488 3.638 20 0 EHADMP CCC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC000527933850 1031496131 /nfs/dbraw/zinc/49/61/31/1031496131.db2.gz SIRNMPUCSSNDHY-BURNTYAHSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528012871 1031592201 /nfs/dbraw/zinc/59/22/01/1031592201.db2.gz QOJSTSWEHLKSPI-KKSFZXQISA-N 2 1 338.499 3.848 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000178040229 1031611239 /nfs/dbraw/zinc/61/12/39/1031611239.db2.gz CREUDSBTHGVDHZ-ZIFCJYIRSA-N 2 1 334.504 3.625 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2cccc(Br)c2)C1 ZINC000551898415 1031748997 /nfs/dbraw/zinc/74/89/97/1031748997.db2.gz UURNZAQZUXWGTF-GJZGRUSLSA-N 2 1 339.321 3.873 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2cccc(Br)c2)C1 ZINC000551898416 1031749331 /nfs/dbraw/zinc/74/93/31/1031749331.db2.gz UURNZAQZUXWGTF-HUUCEWRRSA-N 2 1 339.321 3.873 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484646392 1031841001 /nfs/dbraw/zinc/84/10/01/1031841001.db2.gz XSOQUYHUNSQMSF-ICSRJNTNSA-N 2 1 327.472 3.870 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153102 1031860716 /nfs/dbraw/zinc/86/07/16/1031860716.db2.gz SAXCSTNEKRGNMT-AZAAGSRFSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180153102 1031860734 /nfs/dbraw/zinc/86/07/34/1031860734.db2.gz SAXCSTNEKRGNMT-AZAAGSRFSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153102 1031860748 /nfs/dbraw/zinc/86/07/48/1031860748.db2.gz SAXCSTNEKRGNMT-AZAAGSRFSA-N 3 1 341.543 3.644 20 0 EHADMP CSc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)ccn1 ZINC000537936210 1032022013 /nfs/dbraw/zinc/02/20/13/1032022013.db2.gz GHLIYNRNPMRQRY-YJBOKZPZSA-N 2 1 333.545 3.936 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1Oc1cccnc1 ZINC000904412898 1032023401 /nfs/dbraw/zinc/02/34/01/1032023401.db2.gz YUPWIVXZYHGIEV-SJLPKXTDSA-N 2 1 325.456 3.599 20 0 EHADMP c1nc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc2[nH]1 ZINC000536656874 1032046905 /nfs/dbraw/zinc/04/69/05/1032046905.db2.gz DTUNTULESISFAF-GOSISDBHSA-N 2 1 326.488 3.651 20 0 EHADMP c1nc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc2[nH]1 ZINC000536656874 1032046915 /nfs/dbraw/zinc/04/69/15/1032046915.db2.gz DTUNTULESISFAF-GOSISDBHSA-N 2 1 326.488 3.651 20 0 EHADMP c1nc2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2[nH]1 ZINC000536656874 1032046928 /nfs/dbraw/zinc/04/69/28/1032046928.db2.gz DTUNTULESISFAF-GOSISDBHSA-N 2 1 326.488 3.651 20 0 EHADMP c1nc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2[nH]1 ZINC000536656874 1032046943 /nfs/dbraw/zinc/04/69/43/1032046943.db2.gz DTUNTULESISFAF-GOSISDBHSA-N 2 1 326.488 3.651 20 0 EHADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195134809 1032047123 /nfs/dbraw/zinc/04/71/23/1032047123.db2.gz KDLFUKDSNDMTGC-KBXCAEBGSA-N 2 1 329.513 3.933 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000537961318 1032047758 /nfs/dbraw/zinc/04/77/58/1032047758.db2.gz GQZKKCPWQSIXIN-ZBFHGGJFSA-N 2 1 346.462 3.782 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCOC12CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898112057 1033334483 /nfs/dbraw/zinc/33/44/83/1033334483.db2.gz OQIPYCQRNVDSSD-YSIASYRMSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457286 1033346984 /nfs/dbraw/zinc/34/69/84/1033346984.db2.gz AAWVAYXABXNYAT-CTNGQTDRSA-N 2 1 335.580 3.859 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574754823 1033356178 /nfs/dbraw/zinc/35/61/78/1033356178.db2.gz PWFCJYWXQOIXMV-NRFANRHFSA-N 3 1 341.543 3.505 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574754823 1033356192 /nfs/dbraw/zinc/35/61/92/1033356192.db2.gz PWFCJYWXQOIXMV-NRFANRHFSA-N 3 1 341.543 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000898169851 1033365018 /nfs/dbraw/zinc/36/50/18/1033365018.db2.gz RAZAUIQBRYYDES-INIZCTEOSA-N 2 1 335.451 3.566 20 0 EHADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000898251607 1033410119 /nfs/dbraw/zinc/41/01/19/1033410119.db2.gz FVKPSAQJAXJCBN-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000898251607 1033410128 /nfs/dbraw/zinc/41/01/28/1033410128.db2.gz FVKPSAQJAXJCBN-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cncc(Br)c1 ZINC000657908415 1033512103 /nfs/dbraw/zinc/51/21/03/1033512103.db2.gz JYQDZHCMXHUGJL-LBPRGKRZSA-N 2 1 340.309 3.758 20 0 EHADMP C[C@@H](CSCCF)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000595037527 1033658530 /nfs/dbraw/zinc/65/85/30/1033658530.db2.gz GYIGWVJNEVHMMI-PKOBYXMFSA-N 2 1 338.536 3.970 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657933716 1033684057 /nfs/dbraw/zinc/68/40/57/1033684057.db2.gz UPSPTOBKOUHCQP-AEFFLSMTSA-N 2 1 336.470 3.965 20 0 EHADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2ccc(Cl)cc21 ZINC000574977259 1033748222 /nfs/dbraw/zinc/74/82/22/1033748222.db2.gz FMDBXUPKFVWMAE-FHWLQOOXSA-N 2 1 345.918 3.837 20 0 EHADMP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988644 1033752082 /nfs/dbraw/zinc/75/20/82/1033752082.db2.gz JCGGTVCIDQQQLL-IEBWSBKVSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988644 1033752098 /nfs/dbraw/zinc/75/20/98/1033752098.db2.gz JCGGTVCIDQQQLL-IEBWSBKVSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1cc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000575215724 1033892174 /nfs/dbraw/zinc/89/21/74/1033892174.db2.gz IEMSKHLCDOLNTL-XLIONFOSSA-N 2 1 343.540 3.696 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658091031 1033917231 /nfs/dbraw/zinc/91/72/31/1033917231.db2.gz KFKOTIAZLLRQCK-XSDIEEQYSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658091031 1033917236 /nfs/dbraw/zinc/91/72/36/1033917236.db2.gz KFKOTIAZLLRQCK-XSDIEEQYSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658091031 1033917241 /nfs/dbraw/zinc/91/72/41/1033917241.db2.gz KFKOTIAZLLRQCK-XSDIEEQYSA-N 2 1 341.543 3.644 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450269559 1034016915 /nfs/dbraw/zinc/01/69/15/1034016915.db2.gz MYKDRXBXOZEWDU-GHTZIAJQSA-N 2 1 332.532 3.595 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324065 1034134413 /nfs/dbraw/zinc/13/44/13/1034134413.db2.gz MGDGDTZPKRWNDG-RTWAWAEBSA-N 2 1 335.580 3.693 20 0 EHADMP OC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000658282873 1034157508 /nfs/dbraw/zinc/15/75/08/1034157508.db2.gz QLVGXEBACBYHHB-WMGAJAHGSA-N 2 1 342.527 3.570 20 0 EHADMP C[NH+](C)C1CCC([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001168328246 1034182964 /nfs/dbraw/zinc/18/29/64/1034182964.db2.gz BMNLNBYJZWGCJJ-UHFFFAOYSA-N 3 1 347.522 3.595 20 0 EHADMP C[NH+](C)C1CCC([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001168328246 1034182971 /nfs/dbraw/zinc/18/29/71/1034182971.db2.gz BMNLNBYJZWGCJJ-UHFFFAOYSA-N 3 1 347.522 3.595 20 0 EHADMP Cc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658341059 1034215883 /nfs/dbraw/zinc/21/58/83/1034215883.db2.gz UGDVGZIWNNCASH-NQIIRXRSSA-N 2 1 328.500 3.605 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421798920 1034217570 /nfs/dbraw/zinc/21/75/70/1034217570.db2.gz CMVQYIZTOZSNLA-HXUWFJFHSA-N 2 1 335.495 3.583 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421819751 1034239021 /nfs/dbraw/zinc/23/90/21/1034239021.db2.gz IVBBPWMOHLITGI-NSHGMRRFSA-N 2 1 329.532 3.677 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388571 1034360299 /nfs/dbraw/zinc/36/02/99/1034360299.db2.gz IXNOFDLITINQCP-PGRDOPGGSA-N 2 1 337.511 3.613 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000340185866 1034441757 /nfs/dbraw/zinc/44/17/57/1034441757.db2.gz QECJZTWZAVKVBQ-IFMALSPDSA-N 2 1 346.478 3.797 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340315594 1034483896 /nfs/dbraw/zinc/48/38/96/1034483896.db2.gz HWGLFBZCMYRNQE-RLLQIKCJSA-N 2 1 330.516 3.600 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340315594 1034483902 /nfs/dbraw/zinc/48/39/02/1034483902.db2.gz HWGLFBZCMYRNQE-RLLQIKCJSA-N 2 1 330.516 3.600 20 0 EHADMP C[C@@H](NCc1ccccc1OC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725171 1034716294 /nfs/dbraw/zinc/71/62/94/1034716294.db2.gz HXGJKRWZWYFVFM-AEFFLSMTSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450725171 1034716304 /nfs/dbraw/zinc/71/63/04/1034716304.db2.gz HXGJKRWZWYFVFM-AEFFLSMTSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725171 1034716309 /nfs/dbraw/zinc/71/63/09/1034716309.db2.gz HXGJKRWZWYFVFM-AEFFLSMTSA-N 2 1 328.500 3.970 20 0 EHADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc2ccccc21 ZINC000669618853 1034836623 /nfs/dbraw/zinc/83/66/23/1034836623.db2.gz KXESJEQYFFMQOV-NRFANRHFSA-N 2 1 339.527 3.907 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000153495640 1035102066 /nfs/dbraw/zinc/10/20/66/1035102066.db2.gz VKXBPIDRIHNYOO-IRXDYDNUSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000153495640 1035102074 /nfs/dbraw/zinc/10/20/74/1035102074.db2.gz VKXBPIDRIHNYOO-IRXDYDNUSA-N 2 1 342.458 3.897 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000923781697 1035363873 /nfs/dbraw/zinc/36/38/73/1035363873.db2.gz CAYWLZNKBIBOSY-GOSISDBHSA-N 2 1 340.471 3.878 20 0 EHADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289436168 1035445927 /nfs/dbraw/zinc/44/59/27/1035445927.db2.gz AJUJYGHXHKTJAN-FQEVSTJZSA-N 2 1 340.515 3.856 20 0 EHADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289436168 1035445929 /nfs/dbraw/zinc/44/59/29/1035445929.db2.gz AJUJYGHXHKTJAN-FQEVSTJZSA-N 2 1 340.515 3.856 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)CCN1C ZINC000531143622 1035548270 /nfs/dbraw/zinc/54/82/70/1035548270.db2.gz BBINMXCDKSCVSB-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000531143622 1035548281 /nfs/dbraw/zinc/54/82/81/1035548281.db2.gz BBINMXCDKSCVSB-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000531143622 1035548291 /nfs/dbraw/zinc/54/82/91/1035548291.db2.gz BBINMXCDKSCVSB-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143622 1035548296 /nfs/dbraw/zinc/54/82/96/1035548296.db2.gz BBINMXCDKSCVSB-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143622 1035548310 /nfs/dbraw/zinc/54/83/10/1035548310.db2.gz BBINMXCDKSCVSB-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178035716 1035572318 /nfs/dbraw/zinc/57/23/18/1035572318.db2.gz VDRWWRJJYGMTRV-FUHIMQAGSA-N 2 1 346.515 3.552 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccsc2S1 ZINC000305119487 1035682095 /nfs/dbraw/zinc/68/20/95/1035682095.db2.gz JCLDDUGCWBXFBA-OFQRWUPVSA-N 2 1 340.558 3.500 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000187775609 1035860420 /nfs/dbraw/zinc/86/04/20/1035860420.db2.gz ZQOZEJUDEZEOLY-GOSISDBHSA-N 2 1 338.499 3.868 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000414169007 1035864152 /nfs/dbraw/zinc/86/41/52/1035864152.db2.gz ASJSJZQRMMQJTL-UZLBHIALSA-N 2 1 327.447 3.632 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177091 1035910775 /nfs/dbraw/zinc/91/07/75/1035910775.db2.gz JNKUYDBYHVCYHB-KGLIPLIRSA-N 2 1 325.294 3.832 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120246 1036004674 /nfs/dbraw/zinc/00/46/74/1036004674.db2.gz NPGQHGFVZHACQB-GUDVDZBRSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120246 1036004695 /nfs/dbraw/zinc/00/46/95/1036004695.db2.gz NPGQHGFVZHACQB-GUDVDZBRSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000549032318 1036069758 /nfs/dbraw/zinc/06/97/58/1036069758.db2.gz ZNVFFFXTOHBDTL-UXHICEINSA-N 2 1 342.527 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000549032318 1036069778 /nfs/dbraw/zinc/06/97/78/1036069778.db2.gz ZNVFFFXTOHBDTL-UXHICEINSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000190723292 1036263243 /nfs/dbraw/zinc/26/32/43/1036263243.db2.gz UBUGZQXTSMDJLF-CWJKEVGVSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000190723292 1036263257 /nfs/dbraw/zinc/26/32/57/1036263257.db2.gz UBUGZQXTSMDJLF-CWJKEVGVSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000190723292 1036263265 /nfs/dbraw/zinc/26/32/65/1036263265.db2.gz UBUGZQXTSMDJLF-CWJKEVGVSA-N 2 1 328.500 3.540 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000892581139 1036274458 /nfs/dbraw/zinc/27/44/58/1036274458.db2.gz UJSHTUCTFZTPEQ-INIZCTEOSA-N 2 1 328.456 3.952 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)o1 ZINC000892581139 1036274472 /nfs/dbraw/zinc/27/44/72/1036274472.db2.gz UJSHTUCTFZTPEQ-INIZCTEOSA-N 2 1 328.456 3.952 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000414251043 1036283105 /nfs/dbraw/zinc/28/31/05/1036283105.db2.gz GRBVDRQRWRHCFK-ADMSAAITSA-N 2 1 328.500 3.585 20 0 EHADMP COc1ccccc1S[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389188 1036347601 /nfs/dbraw/zinc/34/76/01/1036347601.db2.gz LHBBJGKURMHTJN-GOSISDBHSA-N 2 1 346.540 3.736 20 0 EHADMP COc1ccccc1S[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389188 1036347622 /nfs/dbraw/zinc/34/76/22/1036347622.db2.gz LHBBJGKURMHTJN-GOSISDBHSA-N 2 1 346.540 3.736 20 0 EHADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191464141 1036387153 /nfs/dbraw/zinc/38/71/53/1036387153.db2.gz AMVXONHDTGCGDL-LJQANCHMSA-N 2 1 339.483 3.664 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000572661991 1036450246 /nfs/dbraw/zinc/45/02/46/1036450246.db2.gz YBWHBDNXTDRNJI-ZWOKBUDYSA-N 2 1 338.499 3.736 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccnn1-c1ccccc1 ZINC000281754493 1036555947 /nfs/dbraw/zinc/55/59/47/1036555947.db2.gz WCNJVQANPRZXIJ-KRWDZBQOSA-N 2 1 338.499 3.930 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000535512523 1036577312 /nfs/dbraw/zinc/57/73/12/1036577312.db2.gz XUTVJTFSEDQMMY-YHDCXSKOSA-N 2 1 334.548 3.682 20 0 EHADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CCC2)o1 ZINC000541733003 1036601128 /nfs/dbraw/zinc/60/11/28/1036601128.db2.gz AMMGKBPOGMSZSR-UZLBHIALSA-N 2 1 332.488 3.520 20 0 EHADMP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]Cc2cnc3ccccc3n2)c1 ZINC000589833050 1036633941 /nfs/dbraw/zinc/63/39/41/1036633941.db2.gz KQNZCNGISDOGOM-UHFFFAOYSA-N 2 1 346.478 3.906 20 0 EHADMP COc1cccc([C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395157 1036640526 /nfs/dbraw/zinc/64/05/26/1036640526.db2.gz NTWVCJNLMVKFTF-IBGZPJMESA-N 2 1 328.500 3.749 20 0 EHADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000310087761 1036773650 /nfs/dbraw/zinc/77/36/50/1036773650.db2.gz OWCYZQMOEZMDOW-UTKZUKDTSA-N 2 1 340.898 3.919 20 0 EHADMP CCCCOc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000539510187 1036851685 /nfs/dbraw/zinc/85/16/85/1036851685.db2.gz PQEBQEMCVASRAU-INIZCTEOSA-N 2 1 332.488 3.787 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000177544183 1036870017 /nfs/dbraw/zinc/87/00/17/1036870017.db2.gz ASALVYHCDDFDJU-UXHICEINSA-N 2 1 345.531 3.520 20 0 EHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472570 1036912211 /nfs/dbraw/zinc/91/22/11/1036912211.db2.gz REGGHQWUBUVFBO-IYBDPMFKSA-N 2 1 342.405 3.667 20 0 EHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472570 1036912233 /nfs/dbraw/zinc/91/22/33/1036912233.db2.gz REGGHQWUBUVFBO-IYBDPMFKSA-N 2 1 342.405 3.667 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472570 1036912253 /nfs/dbraw/zinc/91/22/53/1036912253.db2.gz REGGHQWUBUVFBO-IYBDPMFKSA-N 2 1 342.405 3.667 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472570 1036912269 /nfs/dbraw/zinc/91/22/69/1036912269.db2.gz REGGHQWUBUVFBO-IYBDPMFKSA-N 2 1 342.405 3.667 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166593360 1036977832 /nfs/dbraw/zinc/97/78/32/1036977832.db2.gz CFMKCRLBKOPELD-FCHUYYIVSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166593360 1036977853 /nfs/dbraw/zinc/97/78/53/1036977853.db2.gz CFMKCRLBKOPELD-FCHUYYIVSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166593360 1036977872 /nfs/dbraw/zinc/97/78/72/1036977872.db2.gz CFMKCRLBKOPELD-FCHUYYIVSA-N 2 1 341.543 3.779 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CCc2sc(Br)cc21)C[NH+]1CCCC1 ZINC000311730486 1037029811 /nfs/dbraw/zinc/02/98/11/1037029811.db2.gz QHJFDJMYZYNEPU-AAEUAGOBSA-N 2 1 343.334 3.819 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000590818928 1037088860 /nfs/dbraw/zinc/08/88/60/1037088860.db2.gz JEANFGYBDJKIRP-INIZCTEOSA-N 2 1 342.487 3.850 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)[C@H](C)C1 ZINC000532464388 1037368639 /nfs/dbraw/zinc/36/86/39/1037368639.db2.gz CUWLWTIEQAMIDQ-YLJYHZDGSA-N 2 1 348.494 3.845 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2C(C)C)CC1 ZINC000462839168 1037461032 /nfs/dbraw/zinc/46/10/32/1037461032.db2.gz HDFWWGOMLILUGL-CTNGQTDRSA-N 2 1 330.516 3.647 20 0 EHADMP CC1CCC(Oc2cc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000532511303 1037554573 /nfs/dbraw/zinc/55/45/73/1037554573.db2.gz ROUVWLYGQMLKKX-NNMQDGNJSA-N 2 1 345.531 3.857 20 0 EHADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000532511303 1037554587 /nfs/dbraw/zinc/55/45/87/1037554587.db2.gz ROUVWLYGQMLKKX-NNMQDGNJSA-N 2 1 345.531 3.857 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000573497556 1037588405 /nfs/dbraw/zinc/58/84/05/1037588405.db2.gz UUPOZFDRWYYXFP-LJQANCHMSA-N 2 1 344.886 3.505 20 0 EHADMP CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000540168947 1037635738 /nfs/dbraw/zinc/63/57/38/1037635738.db2.gz INYDCUWSRPITAD-SFTDATJTSA-N 2 1 346.515 3.849 20 0 EHADMP COC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942430 1037735962 /nfs/dbraw/zinc/73/59/62/1037735962.db2.gz ANCYQIKHGMHRPM-IAGOWNOFSA-N 2 1 326.912 3.984 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133233 1037795698 /nfs/dbraw/zinc/79/56/98/1037795698.db2.gz RPQGEFLRBMYXEU-PKOBYXMFSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133233 1037795718 /nfs/dbraw/zinc/79/57/18/1037795718.db2.gz RPQGEFLRBMYXEU-PKOBYXMFSA-N 2 1 342.458 3.847 20 0 EHADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCC1 ZINC000463131604 1037795965 /nfs/dbraw/zinc/79/59/65/1037795965.db2.gz KTMGIZDSKRZSPY-NNWRFLSQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137759 1037800789 /nfs/dbraw/zinc/80/07/89/1037800789.db2.gz MZTLAOFISKBMSO-TZIWHRDSSA-N 2 1 337.511 3.766 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463137759 1037800803 /nfs/dbraw/zinc/80/08/03/1037800803.db2.gz MZTLAOFISKBMSO-TZIWHRDSSA-N 2 1 337.511 3.766 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463148768 1037818134 /nfs/dbraw/zinc/81/81/34/1037818134.db2.gz HKGZUWUYHASVHF-HLAWJBBLSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463148768 1037818141 /nfs/dbraw/zinc/81/81/41/1037818141.db2.gz HKGZUWUYHASVHF-HLAWJBBLSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463148768 1037818160 /nfs/dbraw/zinc/81/81/60/1037818160.db2.gz HKGZUWUYHASVHF-HLAWJBBLSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC[NH+](C)C ZINC000540403903 1037899982 /nfs/dbraw/zinc/89/99/82/1037899982.db2.gz LDRBFSWHMBZWKP-IAQYHMDHSA-N 2 1 343.334 3.773 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237430 1037918570 /nfs/dbraw/zinc/91/85/70/1037918570.db2.gz NFBAREGCPQIEQF-GIVPXCGWSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237430 1037918583 /nfs/dbraw/zinc/91/85/83/1037918583.db2.gz NFBAREGCPQIEQF-GIVPXCGWSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237430 1037918594 /nfs/dbraw/zinc/91/85/94/1037918594.db2.gz NFBAREGCPQIEQF-GIVPXCGWSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463237430 1037918617 /nfs/dbraw/zinc/91/86/17/1037918617.db2.gz NFBAREGCPQIEQF-GIVPXCGWSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237430 1037918634 /nfs/dbraw/zinc/91/86/34/1037918634.db2.gz NFBAREGCPQIEQF-GIVPXCGWSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000463247025 1037932541 /nfs/dbraw/zinc/93/25/41/1037932541.db2.gz SWRIYYBLWWDVRG-LSTHTHJFSA-N 2 1 336.479 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000463247025 1037932555 /nfs/dbraw/zinc/93/25/55/1037932555.db2.gz SWRIYYBLWWDVRG-LSTHTHJFSA-N 2 1 336.479 3.502 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000378128518 1037955985 /nfs/dbraw/zinc/95/59/85/1037955985.db2.gz UKTUITIOGPQNNJ-KRWDZBQOSA-N 2 1 326.488 3.617 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183707914 1037963073 /nfs/dbraw/zinc/96/30/73/1037963073.db2.gz XRRVIKDKZUWRCF-KRWDZBQOSA-N 2 1 346.515 3.669 20 0 EHADMP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463275043 1037981645 /nfs/dbraw/zinc/98/16/45/1037981645.db2.gz IMQBRBARZWJFJU-QFIPXVFZSA-N 2 1 344.543 3.614 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2COc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463291978 1038003352 /nfs/dbraw/zinc/00/33/52/1038003352.db2.gz YSLOCICUXDLMSM-BPAFIMBUSA-N 2 1 340.442 3.902 20 0 EHADMP COCc1csc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000695470921 1038115625 /nfs/dbraw/zinc/11/56/25/1038115625.db2.gz JYZSIGCYMUTIEB-FQEVSTJZSA-N 2 1 344.524 3.896 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cncs1 ZINC000124600154 1038208373 /nfs/dbraw/zinc/20/83/73/1038208373.db2.gz DAQLAVNWXIHOPU-XHSDSOJGSA-N 2 1 345.512 3.603 20 0 EHADMP CC(C)c1nccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000538527710 1038359747 /nfs/dbraw/zinc/35/97/47/1038359747.db2.gz XTCLUGUFTICQES-QFBILLFUSA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000538527710 1038359764 /nfs/dbraw/zinc/35/97/64/1038359764.db2.gz XTCLUGUFTICQES-QFBILLFUSA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000538527710 1038359779 /nfs/dbraw/zinc/35/97/79/1038359779.db2.gz XTCLUGUFTICQES-QFBILLFUSA-N 2 1 326.488 3.807 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752214 1038515931 /nfs/dbraw/zinc/51/59/31/1038515931.db2.gz QEAOUJBLFHGQKZ-LJQANCHMSA-N 2 1 342.527 3.954 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752214 1038515943 /nfs/dbraw/zinc/51/59/43/1038515943.db2.gz QEAOUJBLFHGQKZ-LJQANCHMSA-N 2 1 342.527 3.954 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752214 1038515955 /nfs/dbraw/zinc/51/59/55/1038515955.db2.gz QEAOUJBLFHGQKZ-LJQANCHMSA-N 2 1 342.527 3.954 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752214 1038515965 /nfs/dbraw/zinc/51/59/65/1038515965.db2.gz QEAOUJBLFHGQKZ-LJQANCHMSA-N 2 1 342.527 3.954 20 0 EHADMP Cc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000538763756 1038528798 /nfs/dbraw/zinc/52/87/98/1038528798.db2.gz UHZXNFHILUTCKQ-IYBDPMFKSA-N 2 1 336.545 3.768 20 0 EHADMP CCCCOc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796521 1038532308 /nfs/dbraw/zinc/53/23/08/1038532308.db2.gz KIMVZCZOKFZKQI-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796521 1038532319 /nfs/dbraw/zinc/53/23/19/1038532319.db2.gz KIMVZCZOKFZKQI-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796521 1038532328 /nfs/dbraw/zinc/53/23/28/1038532328.db2.gz KIMVZCZOKFZKQI-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000538796521 1038532337 /nfs/dbraw/zinc/53/23/37/1038532337.db2.gz KIMVZCZOKFZKQI-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796521 1038532349 /nfs/dbraw/zinc/53/23/49/1038532349.db2.gz KIMVZCZOKFZKQI-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP C[N@@H+](CCN1CC[NH+]([C@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549425364 1038545620 /nfs/dbraw/zinc/54/56/20/1038545620.db2.gz JFCWDBGAVFHJLS-QFIPXVFZSA-N 2 1 341.543 3.625 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C)[NH+]1CCCC1 ZINC000539159396 1038710466 /nfs/dbraw/zinc/71/04/66/1038710466.db2.gz CUYMDKGUGNBZRE-MJGOQNOKSA-N 2 1 345.487 3.941 20 0 EHADMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000924687267 1038726248 /nfs/dbraw/zinc/72/62/48/1038726248.db2.gz OCLOFUWAYBBUNG-SLYNCCJLSA-N 2 1 346.563 3.541 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2ccccc12 ZINC000195270010 1038856753 /nfs/dbraw/zinc/85/67/53/1038856753.db2.gz CUCFNVNHQIQWCD-IBGZPJMESA-N 2 1 347.462 3.804 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000552100000 1038984048 /nfs/dbraw/zinc/98/40/48/1038984048.db2.gz ZSBCLHAAHMSUOV-QGZVFWFLSA-N 2 1 348.494 3.921 20 0 EHADMP CCCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000552129499 1039011933 /nfs/dbraw/zinc/01/19/33/1039011933.db2.gz WUIUALYJSDFWOB-WCRBZPEASA-N 2 1 330.516 3.713 20 0 EHADMP CCCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000552129499 1039011950 /nfs/dbraw/zinc/01/19/50/1039011950.db2.gz WUIUALYJSDFWOB-WCRBZPEASA-N 2 1 330.516 3.713 20 0 EHADMP CCCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000552129499 1039011966 /nfs/dbraw/zinc/01/19/66/1039011966.db2.gz WUIUALYJSDFWOB-WCRBZPEASA-N 2 1 330.516 3.713 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935184 1039039409 /nfs/dbraw/zinc/03/94/09/1039039409.db2.gz WCBOSWCVOIEPNA-QUCCMNQESA-N 2 1 329.532 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935184 1039039432 /nfs/dbraw/zinc/03/94/32/1039039432.db2.gz WCBOSWCVOIEPNA-QUCCMNQESA-N 2 1 329.532 3.534 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCSC4)[C@@H]3C2)cc1 ZINC000552265139 1039122324 /nfs/dbraw/zinc/12/23/24/1039122324.db2.gz LFVHUGMFPNNJHK-HAGHYFMRSA-N 2 1 330.541 3.772 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]2CCC[C@H]21 ZINC000552289909 1039141821 /nfs/dbraw/zinc/14/18/21/1039141821.db2.gz PNPQGVMWTFDFDT-SLFFLAALSA-N 2 1 345.556 3.520 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOc2ccc3ccccc3c2)C1 ZINC000478046438 1039167271 /nfs/dbraw/zinc/16/72/71/1039167271.db2.gz ZXCJWXVAOMLYEB-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000478046438 1039167276 /nfs/dbraw/zinc/16/72/76/1039167276.db2.gz ZXCJWXVAOMLYEB-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000478046438 1039167290 /nfs/dbraw/zinc/16/72/90/1039167290.db2.gz ZXCJWXVAOMLYEB-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000478046438 1039167300 /nfs/dbraw/zinc/16/73/00/1039167300.db2.gz ZXCJWXVAOMLYEB-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000478046438 1039167309 /nfs/dbraw/zinc/16/73/09/1039167309.db2.gz ZXCJWXVAOMLYEB-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCCCOc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000432785833 1039172264 /nfs/dbraw/zinc/17/22/64/1039172264.db2.gz AOPCXHLQKSIAMB-SFHVURJKSA-N 2 1 334.504 3.790 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC ZINC000432785833 1039172277 /nfs/dbraw/zinc/17/22/77/1039172277.db2.gz AOPCXHLQKSIAMB-SFHVURJKSA-N 2 1 334.504 3.790 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000898517624 1039186835 /nfs/dbraw/zinc/18/68/35/1039186835.db2.gz AFYPOOPRCUSKDD-FSSWDIPSSA-N 2 1 335.495 3.780 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000552356334 1039206575 /nfs/dbraw/zinc/20/65/75/1039206575.db2.gz NVUPWXPHFYONBY-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000552356334 1039206588 /nfs/dbraw/zinc/20/65/88/1039206588.db2.gz NVUPWXPHFYONBY-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000552356334 1039206608 /nfs/dbraw/zinc/20/66/08/1039206608.db2.gz NVUPWXPHFYONBY-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1-c1cc(C)ccc1C ZINC000480158317 1039242685 /nfs/dbraw/zinc/24/26/85/1039242685.db2.gz IOCLIEDFOOSLLG-GOSISDBHSA-N 2 1 340.515 3.934 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000237169873 1039315312 /nfs/dbraw/zinc/31/53/12/1039315312.db2.gz DBQBXIKHZOXVAW-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480238569 1039338851 /nfs/dbraw/zinc/33/88/51/1039338851.db2.gz DPPKLQRBIHTUQS-OAQYLSRUSA-N 2 1 336.479 3.721 20 0 EHADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480238569 1039338867 /nfs/dbraw/zinc/33/88/67/1039338867.db2.gz DPPKLQRBIHTUQS-OAQYLSRUSA-N 2 1 336.479 3.721 20 0 EHADMP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cccc(C[NH+](C)C)c1 ZINC000924840952 1039435833 /nfs/dbraw/zinc/43/58/33/1039435833.db2.gz ZOMGPKMZXRWFET-QGZVFWFLSA-N 2 1 334.467 3.785 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)c1 ZINC000554560746 1039476591 /nfs/dbraw/zinc/47/65/91/1039476591.db2.gz CGVDXMKRIPFGBI-AEFFLSMTSA-N 2 1 334.529 3.509 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)c1 ZINC000554560746 1039476604 /nfs/dbraw/zinc/47/66/04/1039476604.db2.gz CGVDXMKRIPFGBI-AEFFLSMTSA-N 2 1 334.529 3.509 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCC4CCOCC4)CC[C@H]32)cc1 ZINC000432830619 1039479391 /nfs/dbraw/zinc/47/93/91/1039479391.db2.gz ROIQIDLLFULENM-FCHUYYIVSA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCC4CCOCC4)CC[C@H]32)cc1 ZINC000432830619 1039479397 /nfs/dbraw/zinc/47/93/97/1039479397.db2.gz ROIQIDLLFULENM-FCHUYYIVSA-N 2 1 342.527 3.790 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000549686834 1039680378 /nfs/dbraw/zinc/68/03/78/1039680378.db2.gz CIVHQEOPJTVPOK-QYZOEREBSA-N 2 1 338.536 3.743 20 0 EHADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000480608276 1039748486 /nfs/dbraw/zinc/74/84/86/1039748486.db2.gz CMMKUPZDCLDHAO-DLBZAZTESA-N 2 1 334.504 3.867 20 0 EHADMP c1c2ccncc2sc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000667709010 1039763127 /nfs/dbraw/zinc/76/31/27/1039763127.db2.gz RADKRSDYXVMZRI-CRAIPNDOSA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709010 1039763143 /nfs/dbraw/zinc/76/31/43/1039763143.db2.gz RADKRSDYXVMZRI-CRAIPNDOSA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667709010 1039763152 /nfs/dbraw/zinc/76/31/52/1039763152.db2.gz RADKRSDYXVMZRI-CRAIPNDOSA-N 2 1 327.497 3.745 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000554874122 1039870894 /nfs/dbraw/zinc/87/08/94/1039870894.db2.gz BJNQSLBLZRPSED-OXQOHEQNSA-N 2 1 344.499 3.606 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(OC(F)(F)F)ccc3F)C2)CC1 ZINC001143545180 1039888801 /nfs/dbraw/zinc/88/88/01/1039888801.db2.gz QRCXNTYXCYJGFQ-UHFFFAOYSA-N 2 1 346.368 3.642 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000480694271 1039914597 /nfs/dbraw/zinc/91/45/97/1039914597.db2.gz GPAUOEOPWSNJSN-WWDZGPRUSA-N 2 1 338.536 3.741 20 0 EHADMP COCCCC1(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CCC1 ZINC000894081491 1040035515 /nfs/dbraw/zinc/03/55/15/1040035515.db2.gz YVDRONOJPCIXNV-UHFFFAOYSA-N 2 1 332.488 3.830 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000480897540 1040147444 /nfs/dbraw/zinc/14/74/44/1040147444.db2.gz KTQBEYNPKHNDCY-OAQYLSRUSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667786526 1040193622 /nfs/dbraw/zinc/19/36/22/1040193622.db2.gz SYZYSJGPZRXQFC-TYCQWZJGSA-N 2 1 328.500 3.718 20 0 EHADMP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1 ZINC000479399028 1040204691 /nfs/dbraw/zinc/20/46/91/1040204691.db2.gz VVBVZPPWSOUWIS-NQIIRXRSSA-N 2 1 332.532 3.866 20 0 EHADMP COc1ccccc1-c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000480972623 1040236181 /nfs/dbraw/zinc/23/61/81/1040236181.db2.gz RVEDFYMASLQROH-UHFFFAOYSA-N 2 1 345.512 3.592 20 0 EHADMP CC(C)CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000555169363 1040251427 /nfs/dbraw/zinc/25/14/27/1040251427.db2.gz HNFLSSQMASUNQW-OAQYLSRUSA-N 2 1 330.516 3.823 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540181 1040332141 /nfs/dbraw/zinc/33/21/41/1040332141.db2.gz HHIGUQMOIFSOOD-CHWSQXEVSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540181 1040332155 /nfs/dbraw/zinc/33/21/55/1040332155.db2.gz HHIGUQMOIFSOOD-CHWSQXEVSA-N 2 1 348.288 3.557 20 0 EHADMP Cc1cccn2c(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cnc12 ZINC000479608970 1040428336 /nfs/dbraw/zinc/42/83/36/1040428336.db2.gz YFVFULSSQNPTFU-UHFFFAOYSA-N 2 1 328.504 3.777 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118210 1040553181 /nfs/dbraw/zinc/55/31/81/1040553181.db2.gz SXUJKYCBOLFNKZ-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118210 1040553200 /nfs/dbraw/zinc/55/32/00/1040553200.db2.gz SXUJKYCBOLFNKZ-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118210 1040553217 /nfs/dbraw/zinc/55/32/17/1040553217.db2.gz SXUJKYCBOLFNKZ-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118210 1040553231 /nfs/dbraw/zinc/55/32/31/1040553231.db2.gz SXUJKYCBOLFNKZ-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCOc3c(Cl)c(Cl)ccc31)[NH2+]2 ZINC000925649895 1040576323 /nfs/dbraw/zinc/57/63/23/1040576323.db2.gz KFKKQBHPRALZNZ-AVFNUOGKSA-N 2 1 341.282 3.936 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664010153 1040767138 /nfs/dbraw/zinc/76/71/38/1040767138.db2.gz WHXBMWUTTDWHRX-UHFFFAOYSA-N 2 1 345.874 3.579 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664010153 1040767148 /nfs/dbraw/zinc/76/71/48/1040767148.db2.gz WHXBMWUTTDWHRX-UHFFFAOYSA-N 2 1 345.874 3.579 20 0 EHADMP CC(C)CCOCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491028052 1040873009 /nfs/dbraw/zinc/87/30/09/1040873009.db2.gz MCXRHEXIYVWJCJ-UHFFFAOYSA-N 2 1 332.532 3.893 20 0 EHADMP [NH3+][C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000390535751 1040904276 /nfs/dbraw/zinc/90/42/76/1040904276.db2.gz GCXKBYDDQKWJIY-HTUJMPAOSA-N 2 1 347.506 3.916 20 0 EHADMP Cc1cc([C@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390625221 1041174443 /nfs/dbraw/zinc/17/44/43/1041174443.db2.gz CYPDZOORVXJIOS-FXAWDEMLSA-N 2 1 344.524 3.998 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000433303158 1041244260 /nfs/dbraw/zinc/24/42/60/1041244260.db2.gz ZVHPDCWXQWYNID-LJQANCHMSA-N 2 1 349.950 3.545 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000429803114 1041321515 /nfs/dbraw/zinc/32/15/15/1041321515.db2.gz MBOYKXNHVWJZKH-PXNSSMCTSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000429803114 1041321527 /nfs/dbraw/zinc/32/15/27/1041321527.db2.gz MBOYKXNHVWJZKH-PXNSSMCTSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000429803114 1041321542 /nfs/dbraw/zinc/32/15/42/1041321542.db2.gz MBOYKXNHVWJZKH-PXNSSMCTSA-N 2 1 334.504 3.516 20 0 EHADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496365 1041574288 /nfs/dbraw/zinc/57/42/88/1041574288.db2.gz GIZUGBWGIGNJJC-LPHOPBHVSA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496365 1041574294 /nfs/dbraw/zinc/57/42/94/1041574294.db2.gz GIZUGBWGIGNJJC-LPHOPBHVSA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496365 1041574301 /nfs/dbraw/zinc/57/43/01/1041574301.db2.gz GIZUGBWGIGNJJC-LPHOPBHVSA-N 2 1 336.545 3.625 20 0 EHADMP C[N@@H+](CCc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000468860095 1041780121 /nfs/dbraw/zinc/78/01/21/1041780121.db2.gz FMJKYQNIEGZMAW-IBGZPJMESA-N 2 1 326.459 3.822 20 0 EHADMP C[NH+](CCc1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468860095 1041780124 /nfs/dbraw/zinc/78/01/24/1041780124.db2.gz FMJKYQNIEGZMAW-IBGZPJMESA-N 2 1 326.459 3.822 20 0 EHADMP C[NH+](CCc1ccccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468860095 1041780127 /nfs/dbraw/zinc/78/01/27/1041780127.db2.gz FMJKYQNIEGZMAW-IBGZPJMESA-N 2 1 326.459 3.822 20 0 EHADMP COc1cncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000343877254 1042122627 /nfs/dbraw/zinc/12/26/27/1042122627.db2.gz QWKCTZALSAXLSZ-QGZVFWFLSA-N 2 1 331.504 3.567 20 0 EHADMP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287106 1042309971 /nfs/dbraw/zinc/30/99/71/1042309971.db2.gz NPLBCLPFGRCYTE-OTNPHJDUSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH+]c(N)ccc1CNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001167786267 1042469206 /nfs/dbraw/zinc/46/92/06/1042469206.db2.gz PBKRJKFVESAZIX-UHFFFAOYSA-N 2 1 349.482 3.704 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662050074 1042482806 /nfs/dbraw/zinc/48/28/06/1042482806.db2.gz OLCZXDHEEBCNFP-UHFFFAOYSA-N 2 1 339.483 3.832 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CCC[NH3+] ZINC000662313257 1042681676 /nfs/dbraw/zinc/68/16/76/1042681676.db2.gz IIVPIOHBYJADHG-CZUORRHYSA-N 2 1 348.878 3.729 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@@H]1CCC[NH3+] ZINC000662316663 1042685171 /nfs/dbraw/zinc/68/51/71/1042685171.db2.gz LPQBGAXEGOVJAP-RHSMWYFYSA-N 2 1 337.895 3.508 20 0 EHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccs1 ZINC000162261345 1042714938 /nfs/dbraw/zinc/71/49/38/1042714938.db2.gz DRPLMJGJYZIJSH-INIZCTEOSA-N 2 1 330.501 3.865 20 0 EHADMP Fc1ccc(OC(F)F)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663343882 1042726337 /nfs/dbraw/zinc/72/63/37/1042726337.db2.gz INTAIRATJHUCPH-CQSZACIVSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663343882 1042726341 /nfs/dbraw/zinc/72/63/41/1042726341.db2.gz INTAIRATJHUCPH-CQSZACIVSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663343882 1042726346 /nfs/dbraw/zinc/72/63/46/1042726346.db2.gz INTAIRATJHUCPH-CQSZACIVSA-N 2 1 342.405 3.639 20 0 EHADMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1F ZINC000343920972 1042834667 /nfs/dbraw/zinc/83/46/67/1042834667.db2.gz DKDDAUWMCOBTCB-SFHVURJKSA-N 2 1 349.425 3.541 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466503 1042892595 /nfs/dbraw/zinc/89/25/95/1042892595.db2.gz USSYUVFKVALGHP-IERDGZPVSA-N 2 1 346.490 3.997 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466503 1042892598 /nfs/dbraw/zinc/89/25/98/1042892598.db2.gz USSYUVFKVALGHP-IERDGZPVSA-N 2 1 346.490 3.997 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CSCCS2)cc1 ZINC000165756867 1042892800 /nfs/dbraw/zinc/89/28/00/1042892800.db2.gz KZKBHSTVKFNLNE-GUYCJALGSA-N 2 1 333.526 3.680 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000663467538 1042895469 /nfs/dbraw/zinc/89/54/69/1042895469.db2.gz GNOCBVZCKBJLMM-MJGOQNOKSA-N 2 1 338.499 3.645 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663471827 1042902603 /nfs/dbraw/zinc/90/26/03/1042902603.db2.gz YOVHGIDJGJSXCK-AEFFLSMTSA-N 2 1 346.515 3.785 20 0 EHADMP c1cc2c(s1)CCC[N@H+](Cc1cccc(CN3CCOCC3)c1)C2 ZINC000643250484 1042965891 /nfs/dbraw/zinc/96/58/91/1042965891.db2.gz VHYAALHIMUJWOQ-UHFFFAOYSA-N 2 1 342.508 3.529 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1OC(F)F ZINC000278937799 1043022596 /nfs/dbraw/zinc/02/25/96/1043022596.db2.gz JUOUUWFIFOWVPE-RYUDHWBXSA-N 2 1 339.361 3.537 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001167834936 1043029982 /nfs/dbraw/zinc/02/99/82/1043029982.db2.gz NXEUVDGPKSGBDV-RBUKOAKNSA-N 2 1 333.520 3.744 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001167836831 1043042570 /nfs/dbraw/zinc/04/25/70/1043042570.db2.gz HXBDWLVKQUZMSW-IAGOWNOFSA-N 2 1 336.524 3.883 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432410814 1043112317 /nfs/dbraw/zinc/11/23/17/1043112317.db2.gz RYEDLSLCPIQQFN-PZJWPPBQSA-N 2 1 332.532 3.653 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432410814 1043112322 /nfs/dbraw/zinc/11/23/22/1043112322.db2.gz RYEDLSLCPIQQFN-PZJWPPBQSA-N 2 1 332.532 3.653 20 0 EHADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420557 1043148019 /nfs/dbraw/zinc/14/80/19/1043148019.db2.gz KZVYEWMVJKECOI-BEFAXECRSA-N 2 1 340.458 3.752 20 0 EHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000279006323 1043172133 /nfs/dbraw/zinc/17/21/33/1043172133.db2.gz SDRVXQUEXLGLAD-AEFFLSMTSA-N 2 1 325.456 3.566 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426776 1043176987 /nfs/dbraw/zinc/17/69/87/1043176987.db2.gz UYSKTUPOKXDHMM-CABCVRRESA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426776 1043176993 /nfs/dbraw/zinc/17/69/93/1043176993.db2.gz UYSKTUPOKXDHMM-CABCVRRESA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000512194268 1043988140 /nfs/dbraw/zinc/98/81/40/1043988140.db2.gz HKEISMSBOCQPJS-SFHVURJKSA-N 2 1 329.532 3.839 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512213051 1044171915 /nfs/dbraw/zinc/17/19/15/1044171915.db2.gz NLJYQWNUCRTTTG-QZTJIDSGSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512213051 1044171919 /nfs/dbraw/zinc/17/19/19/1044171919.db2.gz NLJYQWNUCRTTTG-QZTJIDSGSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512213051 1044171925 /nfs/dbraw/zinc/17/19/25/1044171925.db2.gz NLJYQWNUCRTTTG-QZTJIDSGSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512213051 1044171929 /nfs/dbraw/zinc/17/19/29/1044171929.db2.gz NLJYQWNUCRTTTG-QZTJIDSGSA-N 2 1 346.563 3.631 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000512256630 1044424396 /nfs/dbraw/zinc/42/43/96/1044424396.db2.gz BULWOGOOGJTIRN-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000512256630 1044424404 /nfs/dbraw/zinc/42/44/04/1044424404.db2.gz BULWOGOOGJTIRN-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP O[C@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269767 1044485739 /nfs/dbraw/zinc/48/57/39/1044485739.db2.gz MUSBVHSLWMEOCK-FGZHOGPDSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269767 1044485747 /nfs/dbraw/zinc/48/57/47/1044485747.db2.gz MUSBVHSLWMEOCK-FGZHOGPDSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269767 1044485752 /nfs/dbraw/zinc/48/57/52/1044485752.db2.gz MUSBVHSLWMEOCK-FGZHOGPDSA-N 2 1 342.527 3.526 20 0 EHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000279862886 1044757042 /nfs/dbraw/zinc/75/70/42/1044757042.db2.gz CNNANPLDNPUKJF-GFCCVEGCSA-N 2 1 325.884 3.507 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905103 1044839699 /nfs/dbraw/zinc/83/96/99/1044839699.db2.gz LNHWXKDMRZWBHJ-IXDOHACOSA-N 2 1 334.504 3.517 20 0 EHADMP CCCCOC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183679467 1125685335 /nfs/dbraw/zinc/68/53/35/1125685335.db2.gz IOHVFCLGOLQKHE-HNNXBMFYSA-N 2 1 329.444 3.565 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185274813 1126852281 /nfs/dbraw/zinc/85/22/81/1126852281.db2.gz BINONBLCMBRMBC-CQSZACIVSA-N 2 1 339.867 3.850 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000671301844 1126888477 /nfs/dbraw/zinc/88/84/77/1126888477.db2.gz QKUFZULGKSMFOJ-LAUBAEHRSA-N 2 1 348.494 3.748 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000671301844 1126888479 /nfs/dbraw/zinc/88/84/79/1126888479.db2.gz QKUFZULGKSMFOJ-LAUBAEHRSA-N 2 1 348.494 3.748 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357806 1126929229 /nfs/dbraw/zinc/92/92/29/1126929229.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357806 1126929232 /nfs/dbraw/zinc/92/92/32/1126929232.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357806 1126929234 /nfs/dbraw/zinc/92/92/34/1126929234.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357806 1126929237 /nfs/dbraw/zinc/92/92/37/1126929237.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357806 1126929239 /nfs/dbraw/zinc/92/92/39/1126929239.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357806 1126929242 /nfs/dbraw/zinc/92/92/42/1126929242.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357806 1126929244 /nfs/dbraw/zinc/92/92/44/1126929244.db2.gz ATYREWNGGKKTKH-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)C[NH+]1CCCC1 ZINC000623362961 1126930458 /nfs/dbraw/zinc/93/04/58/1126930458.db2.gz RNUOEBMMOZXLGN-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000623385480 1126939465 /nfs/dbraw/zinc/93/94/65/1126939465.db2.gz NBGOWKPKDVUQQH-UXHICEINSA-N 2 1 329.532 3.594 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cccc4n[nH]cc43)C2)c1 ZINC000623386096 1126939803 /nfs/dbraw/zinc/93/98/03/1126939803.db2.gz JWSWXOJRKHSKJG-OAHLLOKOSA-N 2 1 340.496 3.626 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cccc4n[nH]cc43)C2)c1 ZINC000623386096 1126939807 /nfs/dbraw/zinc/93/98/07/1126939807.db2.gz JWSWXOJRKHSKJG-OAHLLOKOSA-N 2 1 340.496 3.626 20 0 EHADMP CN1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC1(C)C ZINC000623399389 1126944940 /nfs/dbraw/zinc/94/49/40/1126944940.db2.gz JXNXXUWJIHBZGS-HNNXBMFYSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC1(C)C ZINC000623399389 1126944942 /nfs/dbraw/zinc/94/49/42/1126944942.db2.gz JXNXXUWJIHBZGS-HNNXBMFYSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC1(C)C ZINC000623399389 1126944944 /nfs/dbraw/zinc/94/49/44/1126944944.db2.gz JXNXXUWJIHBZGS-HNNXBMFYSA-N 2 1 337.305 3.901 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443668 1126957504 /nfs/dbraw/zinc/95/75/04/1126957504.db2.gz IUKUUUXXCCKQGS-CRAIPNDOSA-N 2 1 326.488 3.704 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623532651 1126972741 /nfs/dbraw/zinc/97/27/41/1126972741.db2.gz AMXWYVFOORDYPB-ZBFHGGJFSA-N 2 1 330.451 3.535 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623532651 1126972742 /nfs/dbraw/zinc/97/27/42/1126972742.db2.gz AMXWYVFOORDYPB-ZBFHGGJFSA-N 2 1 330.451 3.535 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521928 1126974705 /nfs/dbraw/zinc/97/47/05/1126974705.db2.gz PKZMOXZWWDJERA-CJNGLKHVSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521928 1126974708 /nfs/dbraw/zinc/97/47/08/1126974708.db2.gz PKZMOXZWWDJERA-CJNGLKHVSA-N 2 1 345.314 3.879 20 0 EHADMP Cc1cccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C(C)C)c1 ZINC000623893420 1127207554 /nfs/dbraw/zinc/20/75/54/1127207554.db2.gz PXOPLAOJRJPNPR-RTWAWAEBSA-N 2 1 330.516 3.925 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000623890066 1127211318 /nfs/dbraw/zinc/21/13/18/1127211318.db2.gz BCSHWXHMKIKIFU-UONOGXRCSA-N 2 1 325.294 3.750 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC1 ZINC000624123736 1127256513 /nfs/dbraw/zinc/25/65/13/1127256513.db2.gz RTILRNKFPXTFEA-HWELCPFYSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624123736 1127256514 /nfs/dbraw/zinc/25/65/14/1127256514.db2.gz RTILRNKFPXTFEA-HWELCPFYSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624123736 1127256517 /nfs/dbraw/zinc/25/65/17/1127256517.db2.gz RTILRNKFPXTFEA-HWELCPFYSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000183322941 1127372092 /nfs/dbraw/zinc/37/20/92/1127372092.db2.gz JVFZSBJMIPDOOB-IGCXYCKISA-N 2 1 345.314 3.828 20 0 EHADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299835 1127481887 /nfs/dbraw/zinc/48/18/87/1127481887.db2.gz ZVNZNLJCPWEMBM-QFBILLFUSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299835 1127481888 /nfs/dbraw/zinc/48/18/88/1127481888.db2.gz ZVNZNLJCPWEMBM-QFBILLFUSA-N 2 1 342.458 3.835 20 0 EHADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000381792235 1127492664 /nfs/dbraw/zinc/49/26/64/1127492664.db2.gz BBZGOIGWDRRGGK-ZSYWTGECSA-N 2 1 334.454 3.922 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000325382662 1127503709 /nfs/dbraw/zinc/50/37/09/1127503709.db2.gz XFMWUSKDPAWAJM-KRWDZBQOSA-N 2 1 326.488 3.787 20 0 EHADMP O=C(CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000382421627 1127509067 /nfs/dbraw/zinc/50/90/67/1127509067.db2.gz BPPALTHWWPLUFW-VXKWHMMOSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000382421627 1127509070 /nfs/dbraw/zinc/50/90/70/1127509070.db2.gz BPPALTHWWPLUFW-VXKWHMMOSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000382421627 1127509074 /nfs/dbraw/zinc/50/90/74/1127509074.db2.gz BPPALTHWWPLUFW-VXKWHMMOSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000382421627 1127509075 /nfs/dbraw/zinc/50/90/75/1127509075.db2.gz BPPALTHWWPLUFW-VXKWHMMOSA-N 2 1 348.490 3.713 20 0 EHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000764637357 1127516734 /nfs/dbraw/zinc/51/67/34/1127516734.db2.gz YFLIINQVQUKOMJ-JOCHJYFZSA-N 2 1 336.479 3.604 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000382828796 1127522764 /nfs/dbraw/zinc/52/27/64/1127522764.db2.gz AOIYZZCHUZLPNU-AVRDEDQJSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383716638 1127554214 /nfs/dbraw/zinc/55/42/14/1127554214.db2.gz UTPCBNGBJHICDV-UYAOXDASSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000765417400 1127608906 /nfs/dbraw/zinc/60/89/06/1127608906.db2.gz UIVSOVFRUFVSLH-DENIHFKCSA-N 2 1 349.522 3.692 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000765417400 1127608908 /nfs/dbraw/zinc/60/89/08/1127608908.db2.gz UIVSOVFRUFVSLH-DENIHFKCSA-N 2 1 349.522 3.692 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(Cl)c(C)nn2C)cc1 ZINC000921514332 1127617145 /nfs/dbraw/zinc/61/71/45/1127617145.db2.gz YMROADOERIVKJS-UHFFFAOYSA-N 2 1 334.895 3.514 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980829 1127617758 /nfs/dbraw/zinc/61/77/58/1127617758.db2.gz RAVKJVASNARCHG-SFTDATJTSA-N 2 1 342.527 3.980 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OCC)c2)[C@@H](C)C1 ZINC000765456644 1127613800 /nfs/dbraw/zinc/61/38/00/1127613800.db2.gz TTXWPMJJZRUWGS-UEXGIBASSA-N 2 1 348.531 3.873 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC000386032376 1127621110 /nfs/dbraw/zinc/62/11/10/1127621110.db2.gz YMRZZSIMSWWVAB-LEWJYISDSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC000386032376 1127621111 /nfs/dbraw/zinc/62/11/11/1127621111.db2.gz YMRZZSIMSWWVAB-LEWJYISDSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC000386032376 1127621114 /nfs/dbraw/zinc/62/11/14/1127621114.db2.gz YMRZZSIMSWWVAB-LEWJYISDSA-N 2 1 336.479 3.519 20 0 EHADMP Cc1nn(C)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1Cl ZINC000921608854 1127764325 /nfs/dbraw/zinc/76/43/25/1127764325.db2.gz WAXBWMXGOQBTMZ-UHFFFAOYSA-N 2 1 334.895 3.512 20 0 EHADMP Cc1nn(C)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1Cl ZINC000921608854 1127764330 /nfs/dbraw/zinc/76/43/30/1127764330.db2.gz WAXBWMXGOQBTMZ-UHFFFAOYSA-N 2 1 334.895 3.512 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCCCCC2)CC1 ZINC000061070338 1128119275 /nfs/dbraw/zinc/11/92/75/1128119275.db2.gz JFBBLUHMJFZNNP-UHFFFAOYSA-N 2 1 329.532 3.637 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000347586642 1128125723 /nfs/dbraw/zinc/12/57/23/1128125723.db2.gz VDQHECBBTPPRHT-UHFFFAOYSA-N 2 1 340.458 3.535 20 0 EHADMP CC(C)(C)OCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723291 1128130989 /nfs/dbraw/zinc/13/09/89/1128130989.db2.gz MBXZNIZIKNRWPF-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723291 1128130991 /nfs/dbraw/zinc/13/09/91/1128130991.db2.gz MBXZNIZIKNRWPF-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723291 1128130992 /nfs/dbraw/zinc/13/09/92/1128130992.db2.gz MBXZNIZIKNRWPF-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP [NH3+]CCCC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1F ZINC000902329167 1128138621 /nfs/dbraw/zinc/13/86/21/1128138621.db2.gz PTPHWYNOYDHSHU-GOSISDBHSA-N 2 1 344.409 3.572 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166291210 1128175280 /nfs/dbraw/zinc/17/52/80/1128175280.db2.gz XZPPBJMINUTOST-QLFBSQMISA-N 2 1 342.405 3.689 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000067507233 1128242479 /nfs/dbraw/zinc/24/24/79/1128242479.db2.gz HMJQWSSUNQYOBC-AWEZNQCLSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000067507233 1128242483 /nfs/dbraw/zinc/24/24/83/1128242483.db2.gz HMJQWSSUNQYOBC-AWEZNQCLSA-N 2 1 340.895 3.567 20 0 EHADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000623648103 1128439724 /nfs/dbraw/zinc/43/97/24/1128439724.db2.gz ZWWCJACCGZNGLD-UHFFFAOYSA-N 2 1 337.511 3.922 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3cccc(F)c3)CCCC2)CC1 ZINC000765858720 1128623926 /nfs/dbraw/zinc/62/39/26/1128623926.db2.gz HWQSSIDDSMBYTQ-KRWDZBQOSA-N 2 1 348.506 3.770 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H](SC)C3)CCCC2)CC1 ZINC000921713468 1128658392 /nfs/dbraw/zinc/65/83/92/1128658392.db2.gz NBFPZUDXVCGVMW-FUHWJXTLSA-N 2 1 340.577 3.674 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000475279010 1128711723 /nfs/dbraw/zinc/71/17/23/1128711723.db2.gz IRXYJLNEWCAIQT-YMPZKCBVSA-N 2 1 349.522 3.823 20 0 EHADMP C[N@H+]1CCC[C@H](CNCc2cccc3c2OCC3)[C@@H]1c1cccs1 ZINC000921775535 1128750763 /nfs/dbraw/zinc/75/07/63/1128750763.db2.gz GAPXPYUKGPJTJC-VQIMIIECSA-N 2 1 342.508 3.856 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)[C@@H]1c1cccs1 ZINC000921775535 1128750766 /nfs/dbraw/zinc/75/07/66/1128750766.db2.gz GAPXPYUKGPJTJC-VQIMIIECSA-N 2 1 342.508 3.856 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)[C@@H]1c1cccs1 ZINC000921775535 1128750768 /nfs/dbraw/zinc/75/07/68/1128750768.db2.gz GAPXPYUKGPJTJC-VQIMIIECSA-N 2 1 342.508 3.856 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC001648792939 1120035475 /nfs/dbraw/zinc/03/54/75/1120035475.db2.gz XNNXQIGMTPEPAS-IRLDBZIGSA-N 2 1 344.543 3.899 20 0 EHADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC001648965866 1120284109 /nfs/dbraw/zinc/28/41/09/1120284109.db2.gz VKUUFMDDDHOWQY-FQEVSTJZSA-N 2 1 348.494 3.645 20 0 EHADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC001648965866 1120284112 /nfs/dbraw/zinc/28/41/12/1120284112.db2.gz VKUUFMDDDHOWQY-FQEVSTJZSA-N 2 1 348.494 3.645 20 0 EHADMP COC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000186506456 1120464870 /nfs/dbraw/zinc/46/48/70/1120464870.db2.gz HTTUWQDDZOBGJB-UHFFFAOYSA-N 2 1 348.506 3.772 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000191376774 1120670942 /nfs/dbraw/zinc/67/09/42/1120670942.db2.gz IMYKHWQBNUGICY-GOSISDBHSA-N 2 1 343.515 3.842 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cc2)C1 ZINC000192479008 1120736218 /nfs/dbraw/zinc/73/62/18/1120736218.db2.gz VRJDMJLHCASJNV-TWFHAPMSSA-N 2 1 330.516 3.679 20 0 EHADMP c1cc(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193253207 1120767135 /nfs/dbraw/zinc/76/71/35/1120767135.db2.gz KCOYHEYCHFPPMP-FQEVSTJZSA-N 2 1 328.500 3.504 20 0 EHADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226435818 1120808079 /nfs/dbraw/zinc/80/80/79/1120808079.db2.gz XXWMAEWFUSHXGD-OAHLLOKOSA-N 2 1 325.294 3.659 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193981563 1120813660 /nfs/dbraw/zinc/81/36/60/1120813660.db2.gz PTNJEEYYMXCJDB-SJKOYZFVSA-N 2 1 348.288 3.867 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193990016 1120815403 /nfs/dbraw/zinc/81/54/03/1120815403.db2.gz FMDZLQCTCYVGNN-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000494841332 1120882380 /nfs/dbraw/zinc/88/23/80/1120882380.db2.gz AWGKGNFMQFFMBX-UHFFFAOYSA-N 2 1 348.535 3.511 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168473500 1120897078 /nfs/dbraw/zinc/89/70/78/1120897078.db2.gz NIPCTUFFSSRGSG-MAODMQOUSA-N 2 1 341.474 3.924 20 0 EHADMP c1cc2cccc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)c2[nH]1 ZINC000236738114 1121462516 /nfs/dbraw/zinc/46/25/16/1121462516.db2.gz CZZCXPUUHBECAP-IBGZPJMESA-N 2 1 333.479 3.822 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000398010459 1121959279 /nfs/dbraw/zinc/95/92/79/1121959279.db2.gz COUZMVFWVVDMTA-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126718122 1122420520 /nfs/dbraw/zinc/42/05/20/1122420520.db2.gz IDFSGVOXLXNCPW-LJQANCHMSA-N 2 1 337.511 3.593 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000127546671 1122492496 /nfs/dbraw/zinc/49/24/96/1122492496.db2.gz LMGSTGKDOXTVOH-KRWDZBQOSA-N 2 1 342.458 3.551 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000128700700 1122650898 /nfs/dbraw/zinc/65/08/98/1122650898.db2.gz HJKSIRVGQTUOPB-KSEOMHKRSA-N 2 1 343.559 3.576 20 0 EHADMP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000129286745 1122760073 /nfs/dbraw/zinc/76/00/73/1122760073.db2.gz UFVYAFUPDRTAGD-UXHICEINSA-N 2 1 332.557 3.957 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000556261458 1122904407 /nfs/dbraw/zinc/90/44/07/1122904407.db2.gz SEZHEZDIWDLCAK-ORFBVSJDSA-N 2 1 344.543 3.960 20 0 EHADMP COc1cc(C)nc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000347684183 1129095517 /nfs/dbraw/zinc/09/55/17/1129095517.db2.gz NKAQVMKKOBIHGG-UHFFFAOYSA-N 2 1 327.472 3.529 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)CCO1 ZINC000237581148 1123780246 /nfs/dbraw/zinc/78/02/46/1123780246.db2.gz CRPQRFAOWPBUOH-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)CCO1 ZINC000237581148 1123780249 /nfs/dbraw/zinc/78/02/49/1123780249.db2.gz CRPQRFAOWPBUOH-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446286 1123829723 /nfs/dbraw/zinc/82/97/23/1123829723.db2.gz ZRZMULRGKZYDFX-KKSFZXQISA-N 2 1 340.515 3.651 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446286 1123829726 /nfs/dbraw/zinc/82/97/26/1123829726.db2.gz ZRZMULRGKZYDFX-KKSFZXQISA-N 2 1 340.515 3.651 20 0 EHADMP C[C@H]1CCC[N@@H+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245715974 1123934947 /nfs/dbraw/zinc/93/49/47/1123934947.db2.gz NZGBZIVJSZWYGJ-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1CCC[NH+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245715974 1123934951 /nfs/dbraw/zinc/93/49/51/1123934951.db2.gz NZGBZIVJSZWYGJ-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1CCC[NH+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245715974 1123934954 /nfs/dbraw/zinc/93/49/54/1123934954.db2.gz NZGBZIVJSZWYGJ-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2ccccc2c1 ZINC000246316781 1124082528 /nfs/dbraw/zinc/08/25/28/1124082528.db2.gz AFWCGYGOIANXFF-UWJYYQICSA-N 2 1 326.484 3.727 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2ccccc2c1 ZINC000246316772 1124082827 /nfs/dbraw/zinc/08/28/27/1124082827.db2.gz AFWCGYGOIANXFF-UTKZUKDTSA-N 2 1 326.484 3.727 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@@H](C)C1 ZINC000246819528 1124552800 /nfs/dbraw/zinc/55/28/00/1124552800.db2.gz BCBWLEWMEGLHGX-HNAYVOBHSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@@H](C)C1 ZINC000246819528 1124552810 /nfs/dbraw/zinc/55/28/10/1124552810.db2.gz BCBWLEWMEGLHGX-HNAYVOBHSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)C1 ZINC000246821815 1124553220 /nfs/dbraw/zinc/55/32/20/1124553220.db2.gz BFMRQOZCJPENGV-VXGBXAGGSA-N 2 1 332.822 3.934 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)C1 ZINC000246821815 1124553226 /nfs/dbraw/zinc/55/32/26/1124553226.db2.gz BFMRQOZCJPENGV-VXGBXAGGSA-N 2 1 332.822 3.934 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)C1 ZINC000246977797 1124573742 /nfs/dbraw/zinc/57/37/42/1124573742.db2.gz JMTPFFUBRMSOMP-IEBWSBKVSA-N 2 1 340.515 3.790 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061317 1124583665 /nfs/dbraw/zinc/58/36/65/1124583665.db2.gz OZWBNRMTVYGIFB-GOEBONIOSA-N 2 1 344.421 3.790 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061317 1124583670 /nfs/dbraw/zinc/58/36/70/1124583670.db2.gz OZWBNRMTVYGIFB-GOEBONIOSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061317 1124583675 /nfs/dbraw/zinc/58/36/75/1124583675.db2.gz OZWBNRMTVYGIFB-GOEBONIOSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061317 1124583683 /nfs/dbraw/zinc/58/36/83/1124583683.db2.gz OZWBNRMTVYGIFB-GOEBONIOSA-N 2 1 344.421 3.790 20 0 EHADMP CCn1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000247184537 1124594095 /nfs/dbraw/zinc/59/40/95/1124594095.db2.gz UCNXAECFAHNPAN-TWFHAPMSSA-N 2 1 340.515 3.710 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000247242809 1124598119 /nfs/dbraw/zinc/59/81/19/1124598119.db2.gz ZBXPJGDBSWCFMC-KGLIPLIRSA-N 2 1 342.430 3.679 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000247880992 1124629341 /nfs/dbraw/zinc/62/93/41/1124629341.db2.gz BPSLQXDMJCCRSN-WJFTUGDTSA-N 2 1 349.588 3.839 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000247880992 1124629343 /nfs/dbraw/zinc/62/93/43/1124629343.db2.gz BPSLQXDMJCCRSN-WJFTUGDTSA-N 2 1 349.588 3.839 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000247880992 1124629346 /nfs/dbraw/zinc/62/93/46/1124629346.db2.gz BPSLQXDMJCCRSN-WJFTUGDTSA-N 2 1 349.588 3.839 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000247967019 1124632217 /nfs/dbraw/zinc/63/22/17/1124632217.db2.gz GYSHXRFNSUPJIE-NLWGTHIKSA-N 2 1 331.548 3.968 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000247973713 1124633238 /nfs/dbraw/zinc/63/32/38/1124633238.db2.gz HORUOIGAULMNHH-HIFRSBDPSA-N 2 1 345.314 3.881 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248854114 1124707972 /nfs/dbraw/zinc/70/79/72/1124707972.db2.gz QPUOUZFNMJZUAC-SXLOBPIMSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248854114 1124707979 /nfs/dbraw/zinc/70/79/79/1124707979.db2.gz QPUOUZFNMJZUAC-SXLOBPIMSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248854114 1124707984 /nfs/dbraw/zinc/70/79/84/1124707984.db2.gz QPUOUZFNMJZUAC-SXLOBPIMSA-N 2 1 332.532 3.817 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C2 ZINC000248979751 1124723683 /nfs/dbraw/zinc/72/36/83/1124723683.db2.gz FKCWCRDXHVMPOW-HKUYNNGSSA-N 2 1 330.516 3.510 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC[NH+]2CCCCCC2)C3)cc1 ZINC000249049940 1124731827 /nfs/dbraw/zinc/73/18/27/1124731827.db2.gz XGUVTJOUYSORKE-DKUWSORSSA-N 2 1 341.543 3.648 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000249246505 1124747236 /nfs/dbraw/zinc/74/72/36/1124747236.db2.gz BEZWAJTXRQDZBF-XJKSGUPXSA-N 2 1 325.294 3.577 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)cc2)[C@@H](C)C1 ZINC000249501842 1124760438 /nfs/dbraw/zinc/76/04/38/1124760438.db2.gz XMODMEJAUDARKK-FPOVZHCZSA-N 2 1 332.532 3.654 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000089694279 1124837988 /nfs/dbraw/zinc/83/79/88/1124837988.db2.gz DGIJVVRWRXYXHN-OAHLLOKOSA-N 2 1 343.696 3.774 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(Br)c2C)CC1 ZINC000090551627 1124921529 /nfs/dbraw/zinc/92/15/29/1124921529.db2.gz WFEIZNKNZTURDX-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Br)c2C)CC1 ZINC000090551627 1124921531 /nfs/dbraw/zinc/92/15/31/1124921531.db2.gz WFEIZNKNZTURDX-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000092067013 1125022966 /nfs/dbraw/zinc/02/29/66/1125022966.db2.gz VZRQOZQAGSUZJQ-FOIQADDNSA-N 2 1 340.467 3.890 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000092067013 1125022974 /nfs/dbraw/zinc/02/29/74/1125022974.db2.gz VZRQOZQAGSUZJQ-FOIQADDNSA-N 2 1 340.467 3.890 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000092067013 1125022983 /nfs/dbraw/zinc/02/29/83/1125022983.db2.gz VZRQOZQAGSUZJQ-FOIQADDNSA-N 2 1 340.467 3.890 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)oc1C ZINC000282150166 1125110318 /nfs/dbraw/zinc/11/03/18/1125110318.db2.gz LCWJSMJABXHJJY-DLBZAZTESA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)oc1C ZINC000282150166 1125110323 /nfs/dbraw/zinc/11/03/23/1125110323.db2.gz LCWJSMJABXHJJY-DLBZAZTESA-N 2 1 342.483 3.968 20 0 EHADMP COc1ccc([C@H](C)NCC[N@H+](C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182756532 1125366045 /nfs/dbraw/zinc/36/60/45/1125366045.db2.gz GLNHWAUEWBONJY-SFHVURJKSA-N 2 1 347.547 3.672 20 0 EHADMP COc1ccc([C@H](C)NCC[N@@H+](C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000182756532 1125366048 /nfs/dbraw/zinc/36/60/48/1125366048.db2.gz GLNHWAUEWBONJY-SFHVURJKSA-N 2 1 347.547 3.672 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]21 ZINC000261884053 1125388365 /nfs/dbraw/zinc/38/83/65/1125388365.db2.gz MXWFQGLCGGUPDH-KBRIMQKVSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]21 ZINC000261884053 1125388368 /nfs/dbraw/zinc/38/83/68/1125388368.db2.gz MXWFQGLCGGUPDH-KBRIMQKVSA-N 2 1 331.847 3.554 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000261905537 1125389632 /nfs/dbraw/zinc/38/96/32/1125389632.db2.gz PIMVIQZQTRBYGF-BPUTZDHNSA-N 2 1 329.875 3.756 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000466361650 1129402760 /nfs/dbraw/zinc/40/27/60/1129402760.db2.gz BSKWAGXTKIAJDW-YUMYIRISSA-N 2 1 342.527 3.693 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000466361648 1129402781 /nfs/dbraw/zinc/40/27/81/1129402781.db2.gz BSKWAGXTKIAJDW-CLAROIROSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000765979150 1129404447 /nfs/dbraw/zinc/40/44/47/1129404447.db2.gz WMIUKXJVGXBWMC-FCHUYYIVSA-N 2 1 342.527 3.549 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000358918538 1129427463 /nfs/dbraw/zinc/42/74/63/1129427463.db2.gz WNWVSFZDGSJMDB-APWZRJJASA-N 2 1 346.515 3.935 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000358946576 1129428392 /nfs/dbraw/zinc/42/83/92/1129428392.db2.gz RFITUVSRYMKTHH-CRAIPNDOSA-N 2 1 332.488 3.545 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)CC2 ZINC000358974096 1129429969 /nfs/dbraw/zinc/42/99/69/1129429969.db2.gz YKXCXBNGOIWCMU-QFBILLFUSA-N 2 1 346.515 3.649 20 0 EHADMP C([NH+]1CCCC2(CC2)CC1)C1(C[N@H+]2CCCC3(CC3)CC2)COC1 ZINC000626114398 1131375672 /nfs/dbraw/zinc/37/56/72/1131375672.db2.gz FIZBVURHPDMSQQ-UHFFFAOYSA-N 2 1 332.532 3.535 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4cnc5ccccc5c4)C[C@H]3C2)cc1 ZINC000499774909 1129478765 /nfs/dbraw/zinc/47/87/65/1129478765.db2.gz RYBCMMHJQOJEOF-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000499774909 1129478767 /nfs/dbraw/zinc/47/87/67/1129478767.db2.gz RYBCMMHJQOJEOF-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000499774909 1129478769 /nfs/dbraw/zinc/47/87/69/1129478769.db2.gz RYBCMMHJQOJEOF-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000499774909 1129478772 /nfs/dbraw/zinc/47/87/72/1129478772.db2.gz RYBCMMHJQOJEOF-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000499774909 1129478776 /nfs/dbraw/zinc/47/87/76/1129478776.db2.gz RYBCMMHJQOJEOF-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000673600097 1129608912 /nfs/dbraw/zinc/60/89/12/1129608912.db2.gz SNMPCELTQXHYFA-MRXNPFEDSA-N 2 1 334.504 3.756 20 0 EHADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000428962210 1129642568 /nfs/dbraw/zinc/64/25/68/1129642568.db2.gz NCRQTOYGNAHEOE-MRXNPFEDSA-N 2 1 342.487 3.848 20 0 EHADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000428962210 1129642571 /nfs/dbraw/zinc/64/25/71/1129642571.db2.gz NCRQTOYGNAHEOE-MRXNPFEDSA-N 2 1 342.487 3.848 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCS1 ZINC000922836434 1129682852 /nfs/dbraw/zinc/68/28/52/1129682852.db2.gz BTKOYFPZAXZZML-KXBFYZLASA-N 2 1 336.520 3.706 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000658059258 1130100722 /nfs/dbraw/zinc/10/07/22/1130100722.db2.gz WQNPXZPXUFFZNY-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059258 1130100726 /nfs/dbraw/zinc/10/07/26/1130100726.db2.gz WQNPXZPXUFFZNY-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059258 1130100731 /nfs/dbraw/zinc/10/07/31/1130100731.db2.gz WQNPXZPXUFFZNY-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059258 1130100734 /nfs/dbraw/zinc/10/07/34/1130100734.db2.gz WQNPXZPXUFFZNY-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059258 1130100739 /nfs/dbraw/zinc/10/07/39/1130100739.db2.gz WQNPXZPXUFFZNY-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658143607 1130196134 /nfs/dbraw/zinc/19/61/34/1130196134.db2.gz ZODQVDXQZGIHLZ-FGZHOGPDSA-N 2 1 338.495 3.740 20 0 EHADMP c1c2ccccc2sc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675156168 1130270002 /nfs/dbraw/zinc/27/00/02/1130270002.db2.gz FLFIEUKDWKPBTH-QGZVFWFLSA-N 2 1 330.497 3.634 20 0 EHADMP Cc1cccn2c(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)cnc12 ZINC000174313042 1130350641 /nfs/dbraw/zinc/35/06/41/1130350641.db2.gz GWCNTIRTVDMPFT-UHFFFAOYSA-N 2 1 336.483 3.773 20 0 EHADMP OCCCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766129878 1130370289 /nfs/dbraw/zinc/37/02/89/1130370289.db2.gz XRHCURBZRNTYRD-YADHBBJMSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766129878 1130370295 /nfs/dbraw/zinc/37/02/95/1130370295.db2.gz XRHCURBZRNTYRD-YADHBBJMSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766129878 1130370302 /nfs/dbraw/zinc/37/03/02/1130370302.db2.gz XRHCURBZRNTYRD-YADHBBJMSA-N 2 1 344.543 3.916 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC000675796298 1130477459 /nfs/dbraw/zinc/47/74/59/1130477459.db2.gz DKBYNOIFHUPADC-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(Cl)c1 ZINC000675880820 1130500092 /nfs/dbraw/zinc/50/00/92/1130500092.db2.gz HHEDEMCMOCELTE-CZUORRHYSA-N 2 1 340.870 3.773 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000730106731 1130672410 /nfs/dbraw/zinc/67/24/10/1130672410.db2.gz PSZFFHTWKQLLOG-UHFFFAOYSA-N 2 1 339.487 3.531 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cc2cccc(Cl)c2)cn1 ZINC000282694053 1131143172 /nfs/dbraw/zinc/14/31/72/1131143172.db2.gz PNPPTIXWVAAIRY-AWEZNQCLSA-N 2 1 340.858 3.950 20 0 EHADMP C[C@]12CCCC[C@H]1C[N@H+]2C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000626103750 1131155649 /nfs/dbraw/zinc/15/56/49/1131155649.db2.gz OEVPYKUPJGGFQW-ACRUOGEOSA-N 2 1 328.500 3.542 20 0 EHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](CC)CC(C)C)CC2)C1 ZINC001172394887 1131731336 /nfs/dbraw/zinc/73/13/36/1131731336.db2.gz AARBDECLIPPKHS-ROUUACIJSA-N 2 1 338.536 3.551 20 0 EHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](CC)CC(C)C)CC2)C1 ZINC001172394887 1131731341 /nfs/dbraw/zinc/73/13/41/1131731341.db2.gz AARBDECLIPPKHS-ROUUACIJSA-N 2 1 338.536 3.551 20 0 EHADMP CC(C)COCC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172472694 1131734415 /nfs/dbraw/zinc/73/44/15/1131734415.db2.gz QBJYWSQTVSCIIE-BJLQDIEVSA-N 2 1 333.520 3.605 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1CC(C)(C)OC(C)(C)C1 ZINC001172661404 1131806494 /nfs/dbraw/zinc/80/64/94/1131806494.db2.gz UNFUIIRBHVXWFJ-UHFFFAOYSA-N 2 1 331.504 3.685 20 0 EHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172714839 1131835482 /nfs/dbraw/zinc/83/54/82/1131835482.db2.gz DLTOIPOTOAHKFU-QGZVFWFLSA-N 2 1 344.861 3.896 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172770649 1131841396 /nfs/dbraw/zinc/84/13/96/1131841396.db2.gz NJEOLVQQHGGGFJ-KRWDZBQOSA-N 2 1 338.536 3.836 20 0 EHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779497 1131845404 /nfs/dbraw/zinc/84/54/04/1131845404.db2.gz GGROYVXAANJKTP-PSBWJHGTSA-N 2 1 336.520 3.623 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001172949553 1131927353 /nfs/dbraw/zinc/92/73/53/1131927353.db2.gz HNXXXPMMWGIOHJ-LNRXMEIDSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001172949553 1131927359 /nfs/dbraw/zinc/92/73/59/1131927359.db2.gz HNXXXPMMWGIOHJ-LNRXMEIDSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001172949553 1131927366 /nfs/dbraw/zinc/92/73/66/1131927366.db2.gz HNXXXPMMWGIOHJ-LNRXMEIDSA-N 2 1 342.527 3.788 20 0 EHADMP CCCOC1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173094349 1131951559 /nfs/dbraw/zinc/95/15/59/1131951559.db2.gz VTCJRKUHFPLHQX-UHFFFAOYSA-N 2 1 334.479 3.813 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001173102521 1131966631 /nfs/dbraw/zinc/96/66/31/1131966631.db2.gz ZJHQDMBAEXUGBR-ABHNRTSZSA-N 2 1 340.552 3.985 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccc(C(C)=O)cc3C2)CC1 ZINC001173113603 1131972205 /nfs/dbraw/zinc/97/22/05/1131972205.db2.gz WQZCGTLAOKGXSF-UHFFFAOYSA-N 2 1 328.500 3.900 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001173278702 1132038905 /nfs/dbraw/zinc/03/89/05/1132038905.db2.gz ICPPMHUVNNDACQ-AZUAARDMSA-N 2 1 327.516 3.948 20 0 EHADMP C[NH+](C)CC[C@@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001173475578 1132074234 /nfs/dbraw/zinc/07/42/34/1132074234.db2.gz ODIKEDARQXCLNO-HXUWFJFHSA-N 2 1 330.422 3.715 20 0 EHADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700906 1132127849 /nfs/dbraw/zinc/12/78/49/1132127849.db2.gz QNMNLHJKVKEFHJ-HXUWFJFHSA-N 2 1 347.462 3.693 20 0 EHADMP C[N@H+](CC1CCC2(CC2)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014414 1132529661 /nfs/dbraw/zinc/52/96/61/1132529661.db2.gz DUCPFBWYFUZIIQ-JOCHJYFZSA-N 2 1 342.527 3.526 20 0 EHADMP C[N@@H+](CC1CCC2(CC2)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014414 1132529666 /nfs/dbraw/zinc/52/96/66/1132529666.db2.gz DUCPFBWYFUZIIQ-JOCHJYFZSA-N 2 1 342.527 3.526 20 0 EHADMP C[NH+](CC1CCC2(CC2)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001175014414 1132529670 /nfs/dbraw/zinc/52/96/70/1132529670.db2.gz DUCPFBWYFUZIIQ-JOCHJYFZSA-N 2 1 342.527 3.526 20 0 EHADMP C[NH+](CC1CCC2(CC2)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001175014414 1132529673 /nfs/dbraw/zinc/52/96/73/1132529673.db2.gz DUCPFBWYFUZIIQ-JOCHJYFZSA-N 2 1 342.527 3.526 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(Br)cc31)C2 ZINC001169080949 1132658531 /nfs/dbraw/zinc/65/85/31/1132658531.db2.gz NYJHEGUEYYOCIH-JYYAWHABSA-N 2 1 335.289 3.651 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C[NH3+])c3cc(Br)ccc31)C2 ZINC001169108572 1132670295 /nfs/dbraw/zinc/67/02/95/1132670295.db2.gz BMYHLWBFNKZUIS-FICVDOATSA-N 2 1 348.288 3.660 20 0 EHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643178 1132720606 /nfs/dbraw/zinc/72/06/06/1132720606.db2.gz NWKSQVDJQFMZCV-SFTDATJTSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643178 1132720610 /nfs/dbraw/zinc/72/06/10/1132720610.db2.gz NWKSQVDJQFMZCV-SFTDATJTSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643178 1132720613 /nfs/dbraw/zinc/72/06/13/1132720613.db2.gz NWKSQVDJQFMZCV-SFTDATJTSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643178 1132720619 /nfs/dbraw/zinc/72/06/19/1132720619.db2.gz NWKSQVDJQFMZCV-SFTDATJTSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643178 1132720623 /nfs/dbraw/zinc/72/06/23/1132720623.db2.gz NWKSQVDJQFMZCV-SFTDATJTSA-N 2 1 330.516 3.524 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206012473 1132777902 /nfs/dbraw/zinc/77/79/02/1132777902.db2.gz LVLWUSPGZUMDFY-QWHCGFSZSA-N 2 1 343.284 3.703 20 0 EHADMP FC(F)(F)c1cc(NCC[C@H]2CCC[NH2+]2)[nH+]c2c1CCCCC2 ZINC001169564475 1132787001 /nfs/dbraw/zinc/78/70/01/1132787001.db2.gz NGEVKELFYMAXPQ-GFCCVEGCSA-N 2 1 327.394 3.923 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206022486 1132874650 /nfs/dbraw/zinc/87/46/50/1132874650.db2.gz CHQUHACGRLGKJX-CABCVRRESA-N 2 1 339.321 3.873 20 0 EHADMP C[NH+](C)CCn1cc(Nc2ccc([NH+]3CCCCCC3)cc2)cn1 ZINC001176447648 1132936825 /nfs/dbraw/zinc/93/68/25/1132936825.db2.gz PLIDAYNHTPRZBX-UHFFFAOYSA-N 2 1 327.476 3.569 20 0 EHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC001177104481 1133031570 /nfs/dbraw/zinc/03/15/70/1133031570.db2.gz UHMHMNSMUYUXRQ-CEXWTWQISA-N 2 1 349.588 3.841 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001177416337 1133063248 /nfs/dbraw/zinc/06/32/48/1133063248.db2.gz NOVQHJXHPWCKBM-GOSISDBHSA-N 2 1 340.515 3.701 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC001177742399 1133098061 /nfs/dbraw/zinc/09/80/61/1133098061.db2.gz HZDGUMBYAIRDSZ-LBPRGKRZSA-N 2 1 330.303 3.786 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC001177742399 1133098067 /nfs/dbraw/zinc/09/80/67/1133098067.db2.gz HZDGUMBYAIRDSZ-LBPRGKRZSA-N 2 1 330.303 3.786 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177795206 1133103413 /nfs/dbraw/zinc/10/34/13/1133103413.db2.gz PLJDNSVGGQQFSP-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177795206 1133103417 /nfs/dbraw/zinc/10/34/17/1133103417.db2.gz PLJDNSVGGQQFSP-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001177795206 1133103421 /nfs/dbraw/zinc/10/34/21/1133103421.db2.gz PLJDNSVGGQQFSP-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001177795206 1133103424 /nfs/dbraw/zinc/10/34/24/1133103424.db2.gz PLJDNSVGGQQFSP-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001177864498 1133108246 /nfs/dbraw/zinc/10/82/46/1133108246.db2.gz LWNAQOVETAYLHS-FKVLARQCSA-N 2 1 344.543 3.785 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c1Br ZINC001206335591 1133179874 /nfs/dbraw/zinc/17/98/74/1133179874.db2.gz GNJLFZUXYOSSRQ-MRXNPFEDSA-N 2 1 343.284 3.848 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cccc(F)c1OC(F)(F)F)C1CC1 ZINC001178871839 1133206185 /nfs/dbraw/zinc/20/61/85/1133206185.db2.gz BFIBZHBCRCNDFB-UHFFFAOYSA-N 2 1 334.357 3.688 20 0 EHADMP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C(=O)OC(C)(C)C ZINC001179034361 1133224892 /nfs/dbraw/zinc/22/48/92/1133224892.db2.gz DXFRWKYNVKTZOH-QGZVFWFLSA-N 2 1 348.531 3.712 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817222 1133286909 /nfs/dbraw/zinc/28/69/09/1133286909.db2.gz OYVPWMDTZXHODB-QGTPRVQTSA-N 2 1 330.472 3.984 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)c(COC)c2C)C1 ZINC001180059499 1133323464 /nfs/dbraw/zinc/32/34/64/1133323464.db2.gz YMQYSRQHMKLJHT-IBGZPJMESA-N 2 1 332.532 3.922 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(Br)c2C)CC1 ZINC001180532169 1133383612 /nfs/dbraw/zinc/38/36/12/1133383612.db2.gz MRDXRTLSJINOLZ-UHFFFAOYSA-N 2 1 339.321 3.982 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(Br)c2C)CC1 ZINC001180532169 1133383618 /nfs/dbraw/zinc/38/36/18/1133383618.db2.gz MRDXRTLSJINOLZ-UHFFFAOYSA-N 2 1 339.321 3.982 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000785503338 1133715366 /nfs/dbraw/zinc/71/53/66/1133715366.db2.gz MAUYLUZODFGZBW-LPHOPBHVSA-N 2 1 341.474 3.919 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303979 1133975031 /nfs/dbraw/zinc/97/50/31/1133975031.db2.gz MBTMKIFYDPGLHB-ZYHUDNBSSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303979 1133975033 /nfs/dbraw/zinc/97/50/33/1133975033.db2.gz MBTMKIFYDPGLHB-ZYHUDNBSSA-N 2 1 336.785 3.655 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000774904776 1134114151 /nfs/dbraw/zinc/11/41/51/1134114151.db2.gz WQEMSTBLEVFBDW-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000774904776 1134114155 /nfs/dbraw/zinc/11/41/55/1134114155.db2.gz WQEMSTBLEVFBDW-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000774904776 1134114158 /nfs/dbraw/zinc/11/41/58/1134114158.db2.gz WQEMSTBLEVFBDW-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000788801074 1134171368 /nfs/dbraw/zinc/17/13/68/1134171368.db2.gz YCVXCMQRJSULED-SJLPKXTDSA-N 2 1 341.886 3.834 20 0 EHADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000788801074 1134171370 /nfs/dbraw/zinc/17/13/70/1134171370.db2.gz YCVXCMQRJSULED-SJLPKXTDSA-N 2 1 341.886 3.834 20 0 EHADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206037020 1134302257 /nfs/dbraw/zinc/30/22/57/1134302257.db2.gz SKNFDIMONAIDSD-KBPBESRZSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134908 1134410573 /nfs/dbraw/zinc/41/05/73/1134410573.db2.gz DUSQKDHKQYTTAA-KVJIRVJXSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134908 1134410577 /nfs/dbraw/zinc/41/05/77/1134410577.db2.gz DUSQKDHKQYTTAA-KVJIRVJXSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134908 1134410581 /nfs/dbraw/zinc/41/05/81/1134410581.db2.gz DUSQKDHKQYTTAA-KVJIRVJXSA-N 2 1 346.559 3.636 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000775383096 1134694136 /nfs/dbraw/zinc/69/41/36/1134694136.db2.gz ULPCHERWVXMOGF-ZWKOTPCHSA-N 3 1 347.547 3.672 20 0 EHADMP CC[C@H]1C[C@H]([NH+]2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224526 1134722712 /nfs/dbraw/zinc/72/27/12/1134722712.db2.gz UJLODCGVAHIPAQ-RTWAWAEBSA-N 2 1 330.516 3.931 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2[nH+]ccc4c2CCN4)C3)cc1 ZINC001170330937 1134750317 /nfs/dbraw/zinc/75/03/17/1134750317.db2.gz YHISOCWCBBLAHK-NNZMDNLPSA-N 2 1 334.467 3.657 20 0 EHADMP c1ccc2c(c1)CCN2CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001190827942 1134755746 /nfs/dbraw/zinc/75/57/46/1134755746.db2.gz RLWONGCQTZABTH-HXUWFJFHSA-N 2 1 341.543 3.637 20 0 EHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2Br)CC1 ZINC001205558293 1134810544 /nfs/dbraw/zinc/81/05/44/1134810544.db2.gz DHSWMPFAFXVHQG-CQSZACIVSA-N 2 1 349.675 3.755 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001191453231 1134860503 /nfs/dbraw/zinc/86/05/03/1134860503.db2.gz DORLHLCXOBQFCD-VQTJNVASSA-N 2 1 330.516 3.539 20 0 EHADMP CCc1sc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205638013 1135152914 /nfs/dbraw/zinc/15/29/14/1135152914.db2.gz KILBICYGZLQWRW-VXGBXAGGSA-N 2 1 345.350 3.880 20 0 EHADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Br ZINC001205638431 1135158420 /nfs/dbraw/zinc/15/84/20/1135158420.db2.gz NVVLSVHVSFPXFW-YPMHNXCESA-N 2 1 343.284 3.703 20 0 EHADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001193637357 1135163384 /nfs/dbraw/zinc/16/33/84/1135163384.db2.gz USIMCUQJXYTJDB-GOSISDBHSA-N 2 1 343.540 3.559 20 0 EHADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001193637357 1135163385 /nfs/dbraw/zinc/16/33/85/1135163385.db2.gz USIMCUQJXYTJDB-GOSISDBHSA-N 2 1 343.540 3.559 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651260 1135200451 /nfs/dbraw/zinc/20/04/51/1135200451.db2.gz BTEOHBBGABFYQX-TZMCWYRMSA-N 2 1 325.294 3.564 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1 ZINC001194268395 1135253284 /nfs/dbraw/zinc/25/32/84/1135253284.db2.gz HFPBRRSJAUYUDS-IRLDBZIGSA-N 2 1 342.527 3.790 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)OC1 ZINC001194268395 1135253289 /nfs/dbraw/zinc/25/32/89/1135253289.db2.gz HFPBRRSJAUYUDS-IRLDBZIGSA-N 2 1 342.527 3.790 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)OC1 ZINC001194268395 1135253291 /nfs/dbraw/zinc/25/32/91/1135253291.db2.gz HFPBRRSJAUYUDS-IRLDBZIGSA-N 2 1 342.527 3.790 20 0 EHADMP C[N@H+](CCC[NH2+][C@H]1CCc2nc(Cl)ccc21)Cc1ccccc1 ZINC000806128653 1135396059 /nfs/dbraw/zinc/39/60/59/1135396059.db2.gz VECOPQODKGVIAM-KRWDZBQOSA-N 2 1 329.875 3.834 20 0 EHADMP C[N@@H+](CCC[NH2+][C@H]1CCc2nc(Cl)ccc21)Cc1ccccc1 ZINC000806128653 1135396065 /nfs/dbraw/zinc/39/60/65/1135396065.db2.gz VECOPQODKGVIAM-KRWDZBQOSA-N 2 1 329.875 3.834 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001199344004 1135896636 /nfs/dbraw/zinc/89/66/36/1135896636.db2.gz BGDCUZGYUZVXLE-LJQANCHMSA-N 2 1 340.515 3.676 20 0 EHADMP C[NH+](C)[C@H](CNc1cccc(C[NH3+])n1)c1ccc(Cl)cc1Cl ZINC001170590715 1135906413 /nfs/dbraw/zinc/90/64/13/1135906413.db2.gz WZVSXFDBPPCSMP-OAHLLOKOSA-N 2 1 339.270 3.562 20 0 EHADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C1CCCCC1)C[NH+]1CCCCC1 ZINC001199583744 1135915339 /nfs/dbraw/zinc/91/53/39/1135915339.db2.gz YXZNVVLOXJVLQT-KRWDZBQOSA-N 2 1 332.536 3.679 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](C/C(Br)=C/c3ccccc3)C2)CC1 ZINC001201460515 1136022718 /nfs/dbraw/zinc/02/27/18/1136022718.db2.gz QGOICRJKRRBPJX-LGMDPLHJSA-N 2 1 349.316 3.840 20 0 EHADMP CCCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201746141 1136058050 /nfs/dbraw/zinc/05/80/50/1136058050.db2.gz AIFBCVZUXLXWCS-GOSISDBHSA-N 2 1 334.504 3.915 20 0 EHADMP CC(C)c1[nH+]c(CNCC[C@H](C)[NH+]2CCCCC2)c2ccccn21 ZINC001201954728 1136077880 /nfs/dbraw/zinc/07/78/80/1136077880.db2.gz SSYYIIDJNFSZJX-KRWDZBQOSA-N 2 1 328.504 3.812 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202160140 1136103520 /nfs/dbraw/zinc/10/35/20/1136103520.db2.gz IDHQTJRARYFLLA-GOSISDBHSA-N 2 1 348.556 3.994 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202348404 1136127487 /nfs/dbraw/zinc/12/74/87/1136127487.db2.gz NSRLWCNTMOTXLQ-BHYGNILZSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC(F)(F)F)C[C@@H]21 ZINC001202348404 1136127488 /nfs/dbraw/zinc/12/74/88/1136127488.db2.gz NSRLWCNTMOTXLQ-BHYGNILZSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC(F)(F)F)C[C@@H]21 ZINC001202348404 1136127489 /nfs/dbraw/zinc/12/74/89/1136127489.db2.gz NSRLWCNTMOTXLQ-BHYGNILZSA-N 2 1 341.421 3.566 20 0 EHADMP Cc1[nH+]ccn1-c1ncccc1CNc1c(C)c(C)[nH+]c2ccccc21 ZINC000811826115 1136146659 /nfs/dbraw/zinc/14/66/59/1136146659.db2.gz VLCSGGXMZXSNCH-UHFFFAOYSA-N 2 1 343.434 3.775 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852728310 1136480707 /nfs/dbraw/zinc/48/07/07/1136480707.db2.gz AEELGZWLTGMIJF-RBUKOAKNSA-N 2 1 349.906 3.973 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000815071816 1136546459 /nfs/dbraw/zinc/54/64/59/1136546459.db2.gz WIVKBQZHPZEQIX-NDXORKPFSA-N 2 1 326.484 3.535 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3Cl)cc2)C1 ZINC000815115926 1136551383 /nfs/dbraw/zinc/55/13/83/1136551383.db2.gz QZSYUOXSVZWPHX-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3Cl)cc2)C1 ZINC000815115926 1136551385 /nfs/dbraw/zinc/55/13/85/1136551385.db2.gz QZSYUOXSVZWPHX-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170810236 1136667306 /nfs/dbraw/zinc/66/73/06/1136667306.db2.gz AKWAEEDIUVUQOC-HKUYNNGSSA-N 2 1 332.488 3.525 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC[C@@H](C)C3)C2)ccn1 ZINC000856551309 1136793979 /nfs/dbraw/zinc/79/39/79/1136793979.db2.gz PEEBXFVZBICHGG-DBXWQHBBSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](C)C3)C2)ccn1 ZINC000856551309 1136793983 /nfs/dbraw/zinc/79/39/83/1136793983.db2.gz PEEBXFVZBICHGG-DBXWQHBBSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@@H](C)C3)C2)ccn1 ZINC000856551309 1136793986 /nfs/dbraw/zinc/79/39/86/1136793986.db2.gz PEEBXFVZBICHGG-DBXWQHBBSA-N 2 1 345.531 3.813 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001170861503 1136795431 /nfs/dbraw/zinc/79/54/31/1136795431.db2.gz MVKUGNSPEZKFEE-GOSISDBHSA-N 2 1 333.564 3.860 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC(C)(C)C)C2)ccn1 ZINC000856583845 1136797320 /nfs/dbraw/zinc/79/73/20/1136797320.db2.gz ASBLNPVQYQUHLB-LJQANCHMSA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856583845 1136797322 /nfs/dbraw/zinc/79/73/22/1136797322.db2.gz ASBLNPVQYQUHLB-LJQANCHMSA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856583845 1136797324 /nfs/dbraw/zinc/79/73/24/1136797324.db2.gz ASBLNPVQYQUHLB-LJQANCHMSA-N 2 1 333.520 3.813 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3CCC3)C2)ccn1 ZINC000856605709 1136798747 /nfs/dbraw/zinc/79/87/47/1136798747.db2.gz DOJIQENWZQGEHF-HXUWFJFHSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CCC3)C2)ccn1 ZINC000856605709 1136798753 /nfs/dbraw/zinc/79/87/53/1136798753.db2.gz DOJIQENWZQGEHF-HXUWFJFHSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3CCC3)C2)ccn1 ZINC000856605709 1136798757 /nfs/dbraw/zinc/79/87/57/1136798757.db2.gz DOJIQENWZQGEHF-HXUWFJFHSA-N 2 1 331.504 3.565 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000543708134 1136827110 /nfs/dbraw/zinc/82/71/10/1136827110.db2.gz BMOVOVUEXJFZEA-ZHALLVOQSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000543708134 1136827114 /nfs/dbraw/zinc/82/71/14/1136827114.db2.gz BMOVOVUEXJFZEA-ZHALLVOQSA-N 2 1 346.515 3.607 20 0 EHADMP COc1ccc([C@@H](C)NCCC[NH2+]C(C)C)cc1C[NH+]1CCCCC1 ZINC000817952666 1136851122 /nfs/dbraw/zinc/85/11/22/1136851122.db2.gz HQHREHAZYSHCRE-GOSISDBHSA-N 2 1 347.547 3.720 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000818960682 1136891280 /nfs/dbraw/zinc/89/12/80/1136891280.db2.gz GFRAVOCHEWXVAP-FQEVSTJZSA-N 2 1 348.437 3.628 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000818969210 1136900574 /nfs/dbraw/zinc/90/05/74/1136900574.db2.gz AMLWWXTUBMEGBL-NRFANRHFSA-N 2 1 326.484 3.578 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819078549 1136911059 /nfs/dbraw/zinc/91/10/59/1136911059.db2.gz JIQPICUSSUHCOI-KKSFZXQISA-N 2 1 342.458 3.674 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccns1 ZINC000858576513 1136980154 /nfs/dbraw/zinc/98/01/54/1136980154.db2.gz LUUVOKFQPQQROY-OWLYRPNTSA-N 2 1 327.497 3.989 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccns1 ZINC000858576513 1136980156 /nfs/dbraw/zinc/98/01/56/1136980156.db2.gz LUUVOKFQPQQROY-OWLYRPNTSA-N 2 1 327.497 3.989 20 0 EHADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[C@H](C)O ZINC000820811027 1137005291 /nfs/dbraw/zinc/00/52/91/1137005291.db2.gz JKYDKHZXJDJOME-QGOMYJLZSA-N 2 1 330.516 3.569 20 0 EHADMP CCn1c2ccccc2nc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820823338 1137005957 /nfs/dbraw/zinc/00/59/57/1137005957.db2.gz MJRKNGOCIAJNEO-UNPWZGGWSA-N 2 1 338.499 3.865 20 0 EHADMP CC[N@@H+](CCC1CCN(Cc2cc(Cl)n(C)n2)CC1)CC(C)C ZINC000859224801 1137008431 /nfs/dbraw/zinc/00/84/31/1137008431.db2.gz LSYGICXESAUVPS-UHFFFAOYSA-N 2 1 340.943 3.654 20 0 EHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC001138053153 1137055641 /nfs/dbraw/zinc/05/56/41/1137055641.db2.gz INWKUMNKEBHYKE-UHFFFAOYSA-N 2 1 332.797 3.886 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccnc1F ZINC000862283582 1137136996 /nfs/dbraw/zinc/13/69/96/1137136996.db2.gz LDXLSOSHTWYEMR-DNVCBOLYSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccnc1F ZINC000862283582 1137136997 /nfs/dbraw/zinc/13/69/97/1137136997.db2.gz LDXLSOSHTWYEMR-DNVCBOLYSA-N 2 1 327.447 3.529 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143646358 1137186446 /nfs/dbraw/zinc/18/64/46/1137186446.db2.gz PVEPRIXIDVNDRW-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143646358 1137186448 /nfs/dbraw/zinc/18/64/48/1137186448.db2.gz PVEPRIXIDVNDRW-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000863544909 1137191434 /nfs/dbraw/zinc/19/14/34/1137191434.db2.gz DIUCMECGBGBBFQ-GXVGGZGZSA-N 2 1 330.516 3.670 20 0 EHADMP CC(C)O[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000794535118 1137191599 /nfs/dbraw/zinc/19/15/99/1137191599.db2.gz ZJAVCVSMQGRVMX-FQEVSTJZSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000429553940 1137199167 /nfs/dbraw/zinc/19/91/67/1137199167.db2.gz HQYRBUXATJUGGA-HNNXBMFYSA-N 2 1 330.394 3.500 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000429553940 1137199169 /nfs/dbraw/zinc/19/91/69/1137199169.db2.gz HQYRBUXATJUGGA-HNNXBMFYSA-N 2 1 330.394 3.500 20 0 EHADMP Cc1ccc(Nc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000844222925 1137203629 /nfs/dbraw/zinc/20/36/29/1137203629.db2.gz NHPIVUCXXHOVIZ-UHFFFAOYSA-N 2 1 342.512 3.771 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccccc1 ZINC000339065496 1137208946 /nfs/dbraw/zinc/20/89/46/1137208946.db2.gz FRGFXZGLZHLWME-PZJWPPBQSA-N 2 1 349.478 3.655 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1ccccc1 ZINC000339065496 1137208947 /nfs/dbraw/zinc/20/89/47/1137208947.db2.gz FRGFXZGLZHLWME-PZJWPPBQSA-N 2 1 349.478 3.655 20 0 EHADMP C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246546873 1137249331 /nfs/dbraw/zinc/24/93/31/1137249331.db2.gz AYLBOPOBKUKQIA-CJNGLKHVSA-N 2 1 325.294 3.583 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144418587 1137290199 /nfs/dbraw/zinc/29/01/99/1137290199.db2.gz HZONEKDVEHLEPT-UHFFFAOYSA-N 2 1 332.879 3.667 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@](C)(O)c1ccccc1 ZINC000846036092 1137328614 /nfs/dbraw/zinc/32/86/14/1137328614.db2.gz IYDXYVVCDDKUFD-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1 ZINC000120935952 1137333213 /nfs/dbraw/zinc/33/32/13/1137333213.db2.gz LJQQXKZDJQDMLR-DOXZYTNZSA-N 2 1 339.439 3.937 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000846220531 1137342298 /nfs/dbraw/zinc/34/22/98/1137342298.db2.gz JRWDHNXPWYTANB-MRXNPFEDSA-N 2 1 330.394 3.598 20 0 EHADMP COc1c(F)ccc(F)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001144755391 1137342926 /nfs/dbraw/zinc/34/29/26/1137342926.db2.gz ZMPKQDWIWICSGX-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP COc1c(F)ccc(F)c1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001144755391 1137342927 /nfs/dbraw/zinc/34/29/27/1137342927.db2.gz ZMPKQDWIWICSGX-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866538062 1137362826 /nfs/dbraw/zinc/36/28/26/1137362826.db2.gz NGQFBUPFJQYFRY-MNAPGUCWSA-N 2 1 342.527 3.549 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000866705256 1137374675 /nfs/dbraw/zinc/37/46/75/1137374675.db2.gz WEQKTSABDUTAOG-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP Cc1ccc2c(C)cc(NCc3ccccc3N3CC[NH2+]CC3)[nH+]c2c1 ZINC001171281677 1137392584 /nfs/dbraw/zinc/39/25/84/1137392584.db2.gz MVVLBFGCFKFTRY-UHFFFAOYSA-N 2 1 346.478 3.873 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([NH3+])(CC3CC3)CC1)CC2 ZINC001171298175 1137401405 /nfs/dbraw/zinc/40/14/05/1137401405.db2.gz HDMJTAAKRKKQDM-HNNXBMFYSA-N 2 1 348.918 3.799 20 0 EHADMP COC1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716680062 1137488423 /nfs/dbraw/zinc/48/84/23/1137488423.db2.gz QGULKTJASIGMBY-UFYCRDLUSA-N 2 1 328.500 3.588 20 0 EHADMP COCCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716690732 1137488680 /nfs/dbraw/zinc/48/86/80/1137488680.db2.gz GMMCUINPYRUBBE-ZCNNSNEGSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1nccs1 ZINC000716701606 1137488730 /nfs/dbraw/zinc/48/87/30/1137488730.db2.gz SCALWDOGDDXUMJ-LULLPPNCSA-N 2 1 341.524 3.889 20 0 EHADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171531015 1137493932 /nfs/dbraw/zinc/49/39/32/1137493932.db2.gz WTPDJLYJFUHYAM-DZGCQCFKSA-N 2 1 340.433 3.802 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3c(C)cccc3C2)[nH+]1 ZINC001171579444 1137499602 /nfs/dbraw/zinc/49/96/02/1137499602.db2.gz PBXJVBNERAKTHS-HXUWFJFHSA-N 2 1 335.495 3.814 20 0 EHADMP C[NH+]1C(C)(C)CC(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171619778 1137500934 /nfs/dbraw/zinc/50/09/34/1137500934.db2.gz PTRAYRMJGNBRHB-LJQANCHMSA-N 2 1 343.559 3.892 20 0 EHADMP C[NH+]1C(C)(C)CC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171619778 1137500936 /nfs/dbraw/zinc/50/09/36/1137500936.db2.gz PTRAYRMJGNBRHB-LJQANCHMSA-N 2 1 343.559 3.892 20 0 EHADMP COc1cc(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc(OC)c1 ZINC001171638498 1137504866 /nfs/dbraw/zinc/50/48/66/1137504866.db2.gz ZOSKVYNBYYVXSY-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP COc1cc(C[N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc(OC)c1 ZINC001171638498 1137504867 /nfs/dbraw/zinc/50/48/67/1137504867.db2.gz ZOSKVYNBYYVXSY-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001171644574 1137504968 /nfs/dbraw/zinc/50/49/68/1137504968.db2.gz FOGIBORYRQVUIR-HZPDHXFCSA-N 2 1 338.536 3.549 20 0 EHADMP C[C@H]1C[C@H](n2cc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725736 1137506529 /nfs/dbraw/zinc/50/65/29/1137506529.db2.gz BUFRPDMJLBODPG-PXNSSMCTSA-N 2 1 333.479 3.978 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963885 1137519928 /nfs/dbraw/zinc/51/99/28/1137519928.db2.gz FQSCCCWATNNAMT-RTWAWAEBSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963885 1137519930 /nfs/dbraw/zinc/51/99/30/1137519930.db2.gz FQSCCCWATNNAMT-RTWAWAEBSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963885 1137519931 /nfs/dbraw/zinc/51/99/31/1137519931.db2.gz FQSCCCWATNNAMT-RTWAWAEBSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963885 1137519933 /nfs/dbraw/zinc/51/99/33/1137519933.db2.gz FQSCCCWATNNAMT-RTWAWAEBSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963885 1137519935 /nfs/dbraw/zinc/51/99/35/1137519935.db2.gz FQSCCCWATNNAMT-RTWAWAEBSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001171921992 1137521047 /nfs/dbraw/zinc/52/10/47/1137521047.db2.gz QFEBDQRNPZCCKD-WWDZGPRUSA-N 2 1 338.536 3.728 20 0 EHADMP CCOC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974501 1137524623 /nfs/dbraw/zinc/52/46/23/1137524623.db2.gz HFPFDVSPZVJHLL-SFHVURJKSA-N 2 1 346.515 3.609 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976362 1137525089 /nfs/dbraw/zinc/52/50/89/1137525089.db2.gz KJVFVAIHMMQZPC-YFVAEKQCSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976362 1137525090 /nfs/dbraw/zinc/52/50/90/1137525090.db2.gz KJVFVAIHMMQZPC-YFVAEKQCSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976362 1137525091 /nfs/dbraw/zinc/52/50/91/1137525091.db2.gz KJVFVAIHMMQZPC-YFVAEKQCSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976362 1137525092 /nfs/dbraw/zinc/52/50/92/1137525092.db2.gz KJVFVAIHMMQZPC-YFVAEKQCSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@H](N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977390 1137525647 /nfs/dbraw/zinc/52/56/47/1137525647.db2.gz BGPVHPSGDLGIQI-RTWAWAEBSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171977390 1137525648 /nfs/dbraw/zinc/52/56/48/1137525648.db2.gz BGPVHPSGDLGIQI-RTWAWAEBSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171977390 1137525649 /nfs/dbraw/zinc/52/56/49/1137525649.db2.gz BGPVHPSGDLGIQI-RTWAWAEBSA-N 2 1 341.543 3.504 20 0 EHADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981035 1137526501 /nfs/dbraw/zinc/52/65/01/1137526501.db2.gz VTDDBNJBQNJGSU-RTWAWAEBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981035 1137526503 /nfs/dbraw/zinc/52/65/03/1137526503.db2.gz VTDDBNJBQNJGSU-RTWAWAEBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981035 1137526504 /nfs/dbraw/zinc/52/65/04/1137526504.db2.gz VTDDBNJBQNJGSU-RTWAWAEBSA-N 2 1 343.559 3.750 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H](CO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC001171982776 1137526586 /nfs/dbraw/zinc/52/65/86/1137526586.db2.gz LBQPBDYDCQEDGV-ROUUACIJSA-N 2 1 344.524 3.814 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H](CO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC001171982776 1137526587 /nfs/dbraw/zinc/52/65/87/1137526587.db2.gz LBQPBDYDCQEDGV-ROUUACIJSA-N 2 1 344.524 3.814 20 0 EHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171980707 1137526835 /nfs/dbraw/zinc/52/68/35/1137526835.db2.gz GGSWEZSLSMNGSO-OAQYLSRUSA-N 3 1 343.559 3.703 20 0 EHADMP C[NH+](CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980707 1137526836 /nfs/dbraw/zinc/52/68/36/1137526836.db2.gz GGSWEZSLSMNGSO-OAQYLSRUSA-N 3 1 343.559 3.703 20 0 EHADMP C[NH+](CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980707 1137526838 /nfs/dbraw/zinc/52/68/38/1137526838.db2.gz GGSWEZSLSMNGSO-OAQYLSRUSA-N 3 1 343.559 3.703 20 0 EHADMP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171980707 1137526840 /nfs/dbraw/zinc/52/68/40/1137526840.db2.gz GGSWEZSLSMNGSO-OAQYLSRUSA-N 2 1 343.559 3.703 20 0 EHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171980707 1137526842 /nfs/dbraw/zinc/52/68/42/1137526842.db2.gz GGSWEZSLSMNGSO-OAQYLSRUSA-N 2 1 343.559 3.703 20 0 EHADMP C[NH+](C)CC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980044 1137526895 /nfs/dbraw/zinc/52/68/95/1137526895.db2.gz CUXVYZLBTJADFH-NRFANRHFSA-N 3 1 343.559 3.703 20 0 EHADMP C[NH+](C)CC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980044 1137526896 /nfs/dbraw/zinc/52/68/96/1137526896.db2.gz CUXVYZLBTJADFH-NRFANRHFSA-N 2 1 343.559 3.703 20 0 EHADMP CC[N@H+](CCn1cccn1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988272 1137527855 /nfs/dbraw/zinc/52/78/55/1137527855.db2.gz QQFOOQZZUUAAKX-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CC[N@@H+](CCn1cccn1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988272 1137527857 /nfs/dbraw/zinc/52/78/57/1137527857.db2.gz QQFOOQZZUUAAKX-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988272 1137527859 /nfs/dbraw/zinc/52/78/59/1137527859.db2.gz QQFOOQZZUUAAKX-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988272 1137527860 /nfs/dbraw/zinc/52/78/60/1137527860.db2.gz QQFOOQZZUUAAKX-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CCCN(CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061022 1137528612 /nfs/dbraw/zinc/52/86/12/1137528612.db2.gz FBPYHFMLBXJBOS-AERCQKQUSA-N 2 1 329.532 3.633 20 0 EHADMP [NH3+]Cc1ccc(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172077690 1137530829 /nfs/dbraw/zinc/53/08/29/1137530829.db2.gz VKNOXXMJPRYBSW-WKCHPHFGSA-N 2 1 336.483 3.538 20 0 EHADMP [NH3+]Cc1ncccc1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077733 1137530925 /nfs/dbraw/zinc/53/09/25/1137530925.db2.gz VQDYWQZZKOJNMC-REPLKXPHSA-N 2 1 336.483 3.538 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001172099423 1137532429 /nfs/dbraw/zinc/53/24/29/1137532429.db2.gz KWXCNYNSIONWEW-QKDCVEJESA-N 2 1 328.378 3.690 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001172099422 1137532477 /nfs/dbraw/zinc/53/24/77/1137532477.db2.gz KWXCNYNSIONWEW-QDMKHBRRSA-N 2 1 328.378 3.690 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063517 1137532769 /nfs/dbraw/zinc/53/27/69/1137532769.db2.gz BAAJQFQQVYBEED-DVWBAYGPSA-N 2 1 336.483 3.713 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063517 1137532770 /nfs/dbraw/zinc/53/27/70/1137532770.db2.gz BAAJQFQQVYBEED-DVWBAYGPSA-N 2 1 336.483 3.713 20 0 EHADMP C[N@H+]1CCCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062697 1137532801 /nfs/dbraw/zinc/53/28/01/1137532801.db2.gz QSNOQJLDWVWZGN-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062697 1137532802 /nfs/dbraw/zinc/53/28/02/1137532802.db2.gz QSNOQJLDWVWZGN-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062697 1137532804 /nfs/dbraw/zinc/53/28/04/1137532804.db2.gz QSNOQJLDWVWZGN-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062697 1137532805 /nfs/dbraw/zinc/53/28/05/1137532805.db2.gz QSNOQJLDWVWZGN-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062697 1137532807 /nfs/dbraw/zinc/53/28/07/1137532807.db2.gz QSNOQJLDWVWZGN-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC001172063602 1137533252 /nfs/dbraw/zinc/53/32/52/1137533252.db2.gz CCJSQFMZPHGSOW-OWZKRDHZSA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069580 1137534625 /nfs/dbraw/zinc/53/46/25/1137534625.db2.gz RJKBNHLEPDHDQV-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069580 1137534626 /nfs/dbraw/zinc/53/46/26/1137534626.db2.gz RJKBNHLEPDHDQV-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069580 1137534627 /nfs/dbraw/zinc/53/46/27/1137534627.db2.gz RJKBNHLEPDHDQV-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069580 1137534628 /nfs/dbraw/zinc/53/46/28/1137534628.db2.gz RJKBNHLEPDHDQV-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC001172069793 1137534751 /nfs/dbraw/zinc/53/47/51/1137534751.db2.gz XJDAWMIUDXFSEN-PLACYPQZSA-N 2 1 330.516 3.833 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001172107177 1137536877 /nfs/dbraw/zinc/53/68/77/1137536877.db2.gz UCLQJQSZPBBQLT-ZSBIGDGJSA-N 2 1 329.307 3.616 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001172112355 1137537520 /nfs/dbraw/zinc/53/75/20/1137537520.db2.gz VPRQEKBPGWDRNU-ACDBMABISA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001172112355 1137537522 /nfs/dbraw/zinc/53/75/22/1137537522.db2.gz VPRQEKBPGWDRNU-ACDBMABISA-N 2 1 346.490 3.522 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112092 1137537605 /nfs/dbraw/zinc/53/76/05/1137537605.db2.gz SYNRIQHYXGZDTJ-BURNTYAHSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112092 1137537607 /nfs/dbraw/zinc/53/76/07/1137537607.db2.gz SYNRIQHYXGZDTJ-BURNTYAHSA-N 2 1 328.500 3.759 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112295 1137537796 /nfs/dbraw/zinc/53/77/96/1137537796.db2.gz UFOXIVGBVVZCEJ-JAHJHUCASA-N 2 1 333.564 3.906 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112295 1137537798 /nfs/dbraw/zinc/53/77/98/1137537798.db2.gz UFOXIVGBVVZCEJ-JAHJHUCASA-N 3 1 333.564 3.906 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112295 1137537800 /nfs/dbraw/zinc/53/78/00/1137537800.db2.gz UFOXIVGBVVZCEJ-JAHJHUCASA-N 3 1 333.564 3.906 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112295 1137537802 /nfs/dbraw/zinc/53/78/02/1137537802.db2.gz UFOXIVGBVVZCEJ-JAHJHUCASA-N 3 1 333.564 3.906 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112295 1137537803 /nfs/dbraw/zinc/53/78/03/1137537803.db2.gz UFOXIVGBVVZCEJ-JAHJHUCASA-N 3 1 333.564 3.906 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])Cc1cccc(C(F)(F)F)c1)C2 ZINC001172115839 1137538090 /nfs/dbraw/zinc/53/80/90/1137538090.db2.gz VGZWRGBCROLABI-MUJYYYPQSA-N 2 1 339.405 3.830 20 0 EHADMP Cc1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114007 1137538240 /nfs/dbraw/zinc/53/82/40/1137538240.db2.gz NQBKYRBDNKXTAE-REPLKXPHSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114007 1137538242 /nfs/dbraw/zinc/53/82/42/1137538242.db2.gz NQBKYRBDNKXTAE-REPLKXPHSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172118167 1137538245 /nfs/dbraw/zinc/53/82/45/1137538245.db2.gz PBTWMQWTQOLKTF-BJWYYQGGSA-N 2 1 337.305 3.862 20 0 EHADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172221654 1137541855 /nfs/dbraw/zinc/54/18/55/1137541855.db2.gz ZXIUGDOLQWVGBQ-RQUCOLAHSA-N 2 1 340.511 3.824 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001172327383 1137546214 /nfs/dbraw/zinc/54/62/14/1137546214.db2.gz DXPSQUHHIPBDFV-SJORKVTESA-N 2 1 334.504 3.539 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172342808 1137552695 /nfs/dbraw/zinc/55/26/95/1137552695.db2.gz NWCQIMUXPFHJMY-JYRKZWEQSA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172342808 1137552697 /nfs/dbraw/zinc/55/26/97/1137552697.db2.gz NWCQIMUXPFHJMY-JYRKZWEQSA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172342808 1137552698 /nfs/dbraw/zinc/55/26/98/1137552698.db2.gz NWCQIMUXPFHJMY-JYRKZWEQSA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000872040249 1137567130 /nfs/dbraw/zinc/56/71/30/1137567130.db2.gz WUCTZMACPUWBCU-MJQMVNBJSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000872040249 1137567131 /nfs/dbraw/zinc/56/71/31/1137567131.db2.gz WUCTZMACPUWBCU-MJQMVNBJSA-N 2 1 336.545 3.926 20 0 EHADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC000873232832 1137594642 /nfs/dbraw/zinc/59/46/42/1137594642.db2.gz ZDPMHJJUTXDGHR-FXAWDEMLSA-N 2 1 332.536 3.639 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000125144092 1137621993 /nfs/dbraw/zinc/62/19/93/1137621993.db2.gz OSLZABFSDFCLSR-UHFFFAOYSA-N 2 1 340.895 3.711 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000876964127 1137666404 /nfs/dbraw/zinc/66/64/04/1137666404.db2.gz TUEJJQQNAAJIDB-DMPWYTOCSA-N 2 1 332.469 3.810 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000876964127 1137666405 /nfs/dbraw/zinc/66/64/05/1137666405.db2.gz TUEJJQQNAAJIDB-DMPWYTOCSA-N 2 1 332.469 3.810 20 0 EHADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988424 1137666953 /nfs/dbraw/zinc/66/69/53/1137666953.db2.gz FYQYHTPBQCHIFY-OLZOCXBDSA-N 2 1 333.328 3.744 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000127451315 1137734863 /nfs/dbraw/zinc/73/48/63/1137734863.db2.gz BWWWASWBLWOAPD-MRXNPFEDSA-N 2 1 331.504 3.950 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000127451315 1137734864 /nfs/dbraw/zinc/73/48/64/1137734864.db2.gz BWWWASWBLWOAPD-MRXNPFEDSA-N 2 1 331.504 3.950 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000127451315 1137734865 /nfs/dbraw/zinc/73/48/65/1137734865.db2.gz BWWWASWBLWOAPD-MRXNPFEDSA-N 2 1 331.504 3.950 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573714 1137751590 /nfs/dbraw/zinc/75/15/90/1137751590.db2.gz QAMCEQONTCRNMF-NVXWUHKLSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573714 1137751591 /nfs/dbraw/zinc/75/15/91/1137751591.db2.gz QAMCEQONTCRNMF-NVXWUHKLSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573714 1137751592 /nfs/dbraw/zinc/75/15/92/1137751592.db2.gz QAMCEQONTCRNMF-NVXWUHKLSA-N 2 1 326.406 3.664 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880142860 1137769202 /nfs/dbraw/zinc/76/92/02/1137769202.db2.gz VFPBKJSLKZQNQX-SFTDATJTSA-N 2 1 340.515 3.684 20 0 EHADMP CS[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000128445066 1137779916 /nfs/dbraw/zinc/77/99/16/1137779916.db2.gz ATLQMDWLSDYHAM-RBUKOAKNSA-N 2 1 336.520 3.706 20 0 EHADMP COC[C@H](C)[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134170 1137792465 /nfs/dbraw/zinc/79/24/65/1137792465.db2.gz BUOHGLUMUCYVHE-JXFKEZNVSA-N 2 1 327.472 3.606 20 0 EHADMP COC[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134170 1137792466 /nfs/dbraw/zinc/79/24/66/1137792466.db2.gz BUOHGLUMUCYVHE-JXFKEZNVSA-N 2 1 327.472 3.606 20 0 EHADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137186540 1137852419 /nfs/dbraw/zinc/85/24/19/1137852419.db2.gz YGUBVBVYDLUVJP-IBGZPJMESA-N 2 1 339.483 3.781 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883321313 1137854710 /nfs/dbraw/zinc/85/47/10/1137854710.db2.gz YXFOYCXGGQANPT-HLLBOEOZSA-N 2 1 335.289 3.653 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883368578 1137857745 /nfs/dbraw/zinc/85/77/45/1137857745.db2.gz UJHZSDGUGWOKKA-PMXSJFBMSA-N 2 1 328.500 3.588 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386418 1137858842 /nfs/dbraw/zinc/85/88/42/1137858842.db2.gz FWPLCMFAYFDTOX-AEFFLSMTSA-N 2 1 344.499 3.522 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386418 1137858843 /nfs/dbraw/zinc/85/88/43/1137858843.db2.gz FWPLCMFAYFDTOX-AEFFLSMTSA-N 2 1 344.499 3.522 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386420 1137858857 /nfs/dbraw/zinc/85/88/57/1137858857.db2.gz FWPLCMFAYFDTOX-SJLPKXTDSA-N 2 1 344.499 3.522 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386420 1137858858 /nfs/dbraw/zinc/85/88/58/1137858858.db2.gz FWPLCMFAYFDTOX-SJLPKXTDSA-N 2 1 344.499 3.522 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC001202561861 1137876246 /nfs/dbraw/zinc/87/62/46/1137876246.db2.gz MFJQFPLFEDQSIJ-MISYRCLQSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001202561861 1137876247 /nfs/dbraw/zinc/87/62/47/1137876247.db2.gz MFJQFPLFEDQSIJ-MISYRCLQSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001202561861 1137876248 /nfs/dbraw/zinc/87/62/48/1137876248.db2.gz MFJQFPLFEDQSIJ-MISYRCLQSA-N 2 1 348.556 3.707 20 0 EHADMP COc1nc2ccccc2cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001137205559 1137932775 /nfs/dbraw/zinc/93/27/75/1137932775.db2.gz GMZWJCNWQNUIME-UHFFFAOYSA-N 2 1 341.499 3.796 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OCC ZINC000119727660 1137944109 /nfs/dbraw/zinc/94/41/09/1137944109.db2.gz SBJBLSCKNARZBS-HNNXBMFYSA-N 2 1 332.488 3.761 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886286794 1138064541 /nfs/dbraw/zinc/06/45/41/1138064541.db2.gz CSCMRTYVQQWNGH-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886286794 1138064543 /nfs/dbraw/zinc/06/45/43/1138064543.db2.gz CSCMRTYVQQWNGH-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518820 1138088437 /nfs/dbraw/zinc/08/84/37/1138088437.db2.gz HDQADHFSNQASPK-LPHOPBHVSA-N 2 1 346.544 3.681 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518820 1138088438 /nfs/dbraw/zinc/08/84/38/1138088438.db2.gz HDQADHFSNQASPK-LPHOPBHVSA-N 2 1 346.544 3.681 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517455 1138088750 /nfs/dbraw/zinc/08/87/50/1138088750.db2.gz DTWSDADWMUDUAU-FPOVZHCZSA-N 2 1 340.515 3.619 20 0 EHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)[nH+]c1C ZINC000886666525 1138111606 /nfs/dbraw/zinc/11/16/06/1138111606.db2.gz UPQHURWZTVUBPB-QGZVFWFLSA-N 2 1 333.863 3.593 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000886719800 1138125243 /nfs/dbraw/zinc/12/52/43/1138125243.db2.gz IAOZSXVFOUPHJS-UXHICEINSA-N 2 1 328.500 3.857 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094819 1138166108 /nfs/dbraw/zinc/16/61/08/1138166108.db2.gz YWQYHXUJIGXSNU-BEFAXECRSA-N 2 1 342.483 3.572 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094819 1138166110 /nfs/dbraw/zinc/16/61/10/1138166110.db2.gz YWQYHXUJIGXSNU-BEFAXECRSA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094819 1138166112 /nfs/dbraw/zinc/16/61/12/1138166112.db2.gz YWQYHXUJIGXSNU-BEFAXECRSA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094819 1138166114 /nfs/dbraw/zinc/16/61/14/1138166114.db2.gz YWQYHXUJIGXSNU-BEFAXECRSA-N 2 1 342.483 3.572 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089771 1138177385 /nfs/dbraw/zinc/17/73/85/1138177385.db2.gz IGBLAIYSKRDUDI-CRAIPNDOSA-N 2 1 349.544 3.622 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089771 1138177386 /nfs/dbraw/zinc/17/73/86/1138177386.db2.gz IGBLAIYSKRDUDI-CRAIPNDOSA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089771 1138177387 /nfs/dbraw/zinc/17/73/87/1138177387.db2.gz IGBLAIYSKRDUDI-CRAIPNDOSA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089771 1138177388 /nfs/dbraw/zinc/17/73/88/1138177388.db2.gz IGBLAIYSKRDUDI-CRAIPNDOSA-N 2 1 349.544 3.622 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742097 1138240238 /nfs/dbraw/zinc/24/02/38/1138240238.db2.gz RTPUCEKWOAJMPB-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742097 1138240241 /nfs/dbraw/zinc/24/02/41/1138240241.db2.gz RTPUCEKWOAJMPB-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742097 1138240242 /nfs/dbraw/zinc/24/02/42/1138240242.db2.gz RTPUCEKWOAJMPB-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742097 1138240244 /nfs/dbraw/zinc/24/02/44/1138240244.db2.gz RTPUCEKWOAJMPB-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000122961837 1138264706 /nfs/dbraw/zinc/26/47/06/1138264706.db2.gz FVGQGZBXXOLAAE-IBGZPJMESA-N 2 1 326.488 3.501 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000122961837 1138264707 /nfs/dbraw/zinc/26/47/07/1138264707.db2.gz FVGQGZBXXOLAAE-IBGZPJMESA-N 2 1 326.488 3.501 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cn1 ZINC000126310305 1138328275 /nfs/dbraw/zinc/32/82/75/1138328275.db2.gz VWADVTHVRLFBGE-HXUWFJFHSA-N 2 1 332.451 3.687 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1Cl ZINC000128265970 1138384433 /nfs/dbraw/zinc/38/44/33/1138384433.db2.gz XAIVFWMNPMTLOS-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@H](C)C1 ZINC000129315425 1138408898 /nfs/dbraw/zinc/40/88/98/1138408898.db2.gz ZDYSKEMMNDASSR-RHSMWYFYSA-N 2 1 344.421 3.585 20 0 EHADMP CSc1ccccc1NC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000264208036 1138443119 /nfs/dbraw/zinc/44/31/19/1138443119.db2.gz LSIDDLVPHPMZIB-UHFFFAOYSA-N 2 1 349.544 3.542 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCC4)CC2)cs1 ZINC000337372160 1138548277 /nfs/dbraw/zinc/54/82/77/1138548277.db2.gz AJCHZILMNZVDSL-QGZVFWFLSA-N 2 1 333.545 3.840 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1SC ZINC000134882133 1138710032 /nfs/dbraw/zinc/71/00/32/1138710032.db2.gz HKUABMWXJMNKKO-SJLPKXTDSA-N 2 1 346.540 3.866 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1SC ZINC000134882133 1138710033 /nfs/dbraw/zinc/71/00/33/1138710033.db2.gz HKUABMWXJMNKKO-SJLPKXTDSA-N 2 1 346.540 3.866 20 0 EHADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1SC ZINC000134882133 1138710034 /nfs/dbraw/zinc/71/00/34/1138710034.db2.gz HKUABMWXJMNKKO-SJLPKXTDSA-N 2 1 346.540 3.866 20 0 EHADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1SC ZINC000134882133 1138710035 /nfs/dbraw/zinc/71/00/35/1138710035.db2.gz HKUABMWXJMNKKO-SJLPKXTDSA-N 2 1 346.540 3.866 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000178092351 1139668982 /nfs/dbraw/zinc/66/89/82/1139668982.db2.gz GBIMYECPFXMFHF-IRXDYDNUSA-N 2 1 340.515 3.954 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccsc1 ZINC000178617007 1139706899 /nfs/dbraw/zinc/70/68/99/1139706899.db2.gz AJJUHAYMCZRMOD-CVEARBPZSA-N 2 1 330.497 3.820 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccsc1 ZINC000178617007 1139706905 /nfs/dbraw/zinc/70/69/05/1139706905.db2.gz AJJUHAYMCZRMOD-CVEARBPZSA-N 2 1 330.497 3.820 20 0 EHADMP CCC[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075042 1139807760 /nfs/dbraw/zinc/80/77/60/1139807760.db2.gz LGFLCZGWZVDQPD-VXKWHMMOSA-N 2 1 343.559 3.672 20 0 EHADMP C[C@@H](O)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180148112 1139813564 /nfs/dbraw/zinc/81/35/64/1139813564.db2.gz HVKDIKVCECYVOY-VOBGVNJCSA-N 2 1 330.516 3.569 20 0 EHADMP COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)Cn3cc[nH+]c3C)oc21 ZINC000181693761 1139925049 /nfs/dbraw/zinc/92/50/49/1139925049.db2.gz NLCYDJVJMYCYOD-KBPBESRZSA-N 2 1 327.428 3.933 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000181737033 1139927402 /nfs/dbraw/zinc/92/74/02/1139927402.db2.gz DIFQQFUVHJOKEI-HMXCVIKNSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000181737033 1139927405 /nfs/dbraw/zinc/92/74/05/1139927405.db2.gz DIFQQFUVHJOKEI-HMXCVIKNSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737033 1139927408 /nfs/dbraw/zinc/92/74/08/1139927408.db2.gz DIFQQFUVHJOKEI-HMXCVIKNSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737033 1139927412 /nfs/dbraw/zinc/92/74/12/1139927412.db2.gz DIFQQFUVHJOKEI-HMXCVIKNSA-N 2 1 346.515 3.515 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000190771372 1140417508 /nfs/dbraw/zinc/41/75/08/1140417508.db2.gz WUNKZIHXFXGWBP-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000190771372 1140417511 /nfs/dbraw/zinc/41/75/11/1140417511.db2.gz WUNKZIHXFXGWBP-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000194474864 1140610635 /nfs/dbraw/zinc/61/06/35/1140610635.db2.gz KXSWFFKHTFADFQ-LJQANCHMSA-N 2 1 326.440 3.694 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268791611 1140992902 /nfs/dbraw/zinc/99/29/02/1140992902.db2.gz GNEFHJOCKTZPDE-INIZCTEOSA-N 2 1 338.480 3.982 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000268890574 1141019649 /nfs/dbraw/zinc/01/96/49/1141019649.db2.gz ULQRVOKCGXESSK-JTQLQIEISA-N 2 1 328.279 3.756 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835584 1141004878 /nfs/dbraw/zinc/00/48/78/1141004878.db2.gz RXHASIMEZNGCGP-ZIAGYGMSSA-N 2 1 342.405 3.763 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(CCO)CCCC2)cc1 ZINC000268884917 1141017142 /nfs/dbraw/zinc/01/71/42/1141017142.db2.gz BTVJENNMNLANTL-INIZCTEOSA-N 2 1 327.472 3.774 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000268889151 1141018523 /nfs/dbraw/zinc/01/85/23/1141018523.db2.gz NLEAXBPHINPPMX-IERDGZPVSA-N 2 1 335.451 3.739 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268901987 1141022067 /nfs/dbraw/zinc/02/20/67/1141022067.db2.gz WXRYESDUEKFMKR-MRXNPFEDSA-N 2 1 339.361 3.757 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1 ZINC000268944988 1141032102 /nfs/dbraw/zinc/03/21/02/1141032102.db2.gz BADSJFVJNXEWJJ-UWJYYQICSA-N 2 1 349.478 3.998 20 0 EHADMP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698318 1141136059 /nfs/dbraw/zinc/13/60/59/1141136059.db2.gz XUSPBSREHCHNNW-LAUBAEHRSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698318 1141136063 /nfs/dbraw/zinc/13/60/63/1141136063.db2.gz XUSPBSREHCHNNW-LAUBAEHRSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698318 1141136065 /nfs/dbraw/zinc/13/60/65/1141136065.db2.gz XUSPBSREHCHNNW-LAUBAEHRSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698318 1141136071 /nfs/dbraw/zinc/13/60/71/1141136071.db2.gz XUSPBSREHCHNNW-LAUBAEHRSA-N 2 1 337.467 3.790 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C(F)(F)F ZINC000270262597 1141199481 /nfs/dbraw/zinc/19/94/81/1141199481.db2.gz UKKUZKHSWVKSEZ-UHFFFAOYSA-N 2 1 330.369 3.951 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270825111 1141274707 /nfs/dbraw/zinc/27/47/07/1141274707.db2.gz BQLPCIJYTSCERE-DLBZAZTESA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270825111 1141274715 /nfs/dbraw/zinc/27/47/15/1141274715.db2.gz BQLPCIJYTSCERE-DLBZAZTESA-N 2 1 333.501 3.621 20 0 EHADMP C(=C/c1ccncc1)\C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640060 1141560866 /nfs/dbraw/zinc/56/08/66/1141560866.db2.gz GEVBMCCCPSENBU-ZMTJCJBESA-N 2 1 333.479 3.693 20 0 EHADMP C(=C/c1ccncc1)\C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640060 1141560871 /nfs/dbraw/zinc/56/08/71/1141560871.db2.gz GEVBMCCCPSENBU-ZMTJCJBESA-N 2 1 333.479 3.693 20 0 EHADMP C(=C/c1ccncc1)\C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348640060 1141560874 /nfs/dbraw/zinc/56/08/74/1141560874.db2.gz GEVBMCCCPSENBU-ZMTJCJBESA-N 2 1 333.479 3.693 20 0 EHADMP C(=C/c1ccncc1)\C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348640060 1141560878 /nfs/dbraw/zinc/56/08/78/1141560878.db2.gz GEVBMCCCPSENBU-ZMTJCJBESA-N 2 1 333.479 3.693 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000348971367 1141617222 /nfs/dbraw/zinc/61/72/22/1141617222.db2.gz YMQPIGTWCGKVFI-UHFFFAOYSA-N 2 1 348.494 3.956 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OCC)c(F)c1 ZINC000349145408 1141645316 /nfs/dbraw/zinc/64/53/16/1141645316.db2.gz FIAGQIRRZMEVGB-UHFFFAOYSA-N 2 1 333.451 3.896 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OCC)c(F)c1 ZINC000349145408 1141645319 /nfs/dbraw/zinc/64/53/19/1141645319.db2.gz FIAGQIRRZMEVGB-UHFFFAOYSA-N 2 1 333.451 3.896 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000020189056 212110214 /nfs/dbraw/zinc/11/02/14/212110214.db2.gz LXIOCOUNMUUYTG-ZDUSSCGKSA-N 2 1 325.294 3.973 20 0 EHADMP Cc1ncc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000261649746 257998034 /nfs/dbraw/zinc/99/80/34/257998034.db2.gz HHOCSXWBTGZLPG-INIZCTEOSA-N 2 1 333.526 3.657 20 0 EHADMP Cc1ncc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000261649746 257998035 /nfs/dbraw/zinc/99/80/35/257998035.db2.gz HHOCSXWBTGZLPG-INIZCTEOSA-N 2 1 333.526 3.657 20 0 EHADMP Cc1ccsc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261869214 564045626 /nfs/dbraw/zinc/04/56/26/564045626.db2.gz QLIGEBRWMAPARM-HNNXBMFYSA-N 2 1 333.526 3.657 20 0 EHADMP Cc1ccsc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261869214 564045627 /nfs/dbraw/zinc/04/56/27/564045627.db2.gz QLIGEBRWMAPARM-HNNXBMFYSA-N 2 1 333.526 3.657 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165018813 721798065 /nfs/dbraw/zinc/79/80/65/721798065.db2.gz CJKWWZRZYWYPFX-IHPCNDPISA-N 2 1 336.483 3.522 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165018813 721798067 /nfs/dbraw/zinc/79/80/67/721798067.db2.gz CJKWWZRZYWYPFX-IHPCNDPISA-N 2 1 336.483 3.522 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386662 1125479004 /nfs/dbraw/zinc/47/90/04/1125479004.db2.gz NZUGPZGTKVBAJK-SMOSDQRPSA-N 2 1 349.950 3.795 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000339278108 1014147339 /nfs/dbraw/zinc/14/73/39/1014147339.db2.gz WYPULNHELLPJJJ-UHFFFAOYSA-N 2 1 339.439 3.752 20 0 EHADMP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000339415745 1014379503 /nfs/dbraw/zinc/37/95/03/1014379503.db2.gz ULZXCRUVFGNZJX-CTNGQTDRSA-N 2 1 340.515 3.636 20 0 EHADMP CC[NH+]1CCN(c2ccccc2CNc2cccc(C3CC3)[nH+]2)CC1 ZINC000339428554 1014408452 /nfs/dbraw/zinc/40/84/52/1014408452.db2.gz LWKTXOIRCGMHCF-UHFFFAOYSA-N 2 1 336.483 3.713 20 0 EHADMP CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423290 1032103935 /nfs/dbraw/zinc/10/39/35/1032103935.db2.gz HBTKLZGLGDKSHF-LJQANCHMSA-N 2 1 334.479 3.836 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000154101696 1015012261 /nfs/dbraw/zinc/01/22/61/1015012261.db2.gz ZFWCZSMBIKNPQK-BEFAXECRSA-N 2 1 338.455 3.727 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606397 1015057969 /nfs/dbraw/zinc/05/79/69/1015057969.db2.gz FTEAZDBRHZLFCD-IEBWSBKVSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606397 1015057985 /nfs/dbraw/zinc/05/79/85/1015057985.db2.gz FTEAZDBRHZLFCD-IEBWSBKVSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606397 1015057997 /nfs/dbraw/zinc/05/79/97/1015057997.db2.gz FTEAZDBRHZLFCD-IEBWSBKVSA-N 2 1 336.907 3.663 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449065231 1032109623 /nfs/dbraw/zinc/10/96/23/1032109623.db2.gz SQRDWENKXLUDPK-HNNXBMFYSA-N 2 1 341.268 3.649 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000261421682 1015349656 /nfs/dbraw/zinc/34/96/56/1015349656.db2.gz HGYALDSOJVPSGC-NQIIRXRSSA-N 2 1 343.559 3.757 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000339682732 1015511410 /nfs/dbraw/zinc/51/14/10/1015511410.db2.gz SESWPSXLIIYXMX-FUHWJXTLSA-N 2 1 336.545 3.686 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1SC ZINC000459429880 1032117580 /nfs/dbraw/zinc/11/75/80/1032117580.db2.gz ILLXOECIQAOHIO-YFYLHZKVSA-N 2 1 345.512 3.740 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979664 1015691979 /nfs/dbraw/zinc/69/19/79/1015691979.db2.gz ZAGHQAGUMYOXPM-WMZOPIPTSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979664 1015691986 /nfs/dbraw/zinc/69/19/86/1015691986.db2.gz ZAGHQAGUMYOXPM-WMZOPIPTSA-N 2 1 343.902 3.950 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846797 1015740634 /nfs/dbraw/zinc/74/06/34/1015740634.db2.gz LAQBZOCTOOORPW-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846797 1015740637 /nfs/dbraw/zinc/74/06/37/1015740637.db2.gz LAQBZOCTOOORPW-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846797 1015740641 /nfs/dbraw/zinc/74/06/41/1015740641.db2.gz LAQBZOCTOOORPW-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193990000 1120814981 /nfs/dbraw/zinc/81/49/81/1120814981.db2.gz FMDZLQCTCYVGNN-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904576728 1032141889 /nfs/dbraw/zinc/14/18/89/1032141889.db2.gz KXOLTVKKTGDETC-PBHICJAKSA-N 2 1 328.460 3.768 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000155122249 1016179828 /nfs/dbraw/zinc/17/98/28/1016179828.db2.gz VIAZZXNNYIBKGW-ZXNZYJFHSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000155122249 1016179834 /nfs/dbraw/zinc/17/98/34/1016179834.db2.gz VIAZZXNNYIBKGW-ZXNZYJFHSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000449086238 1032144752 /nfs/dbraw/zinc/14/47/52/1032144752.db2.gz BKHRNKZWSGCHER-RTBURBONSA-N 2 1 335.580 3.882 20 0 EHADMP C[C@H](c1ccccc1Cl)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755364 1016272458 /nfs/dbraw/zinc/27/24/58/1016272458.db2.gz CMLSRVNXCAFFCE-SJORKVTESA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000624119494 1016478893 /nfs/dbraw/zinc/47/88/93/1016478893.db2.gz CUYHJTZMGFYAPV-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP COCC1(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318040 1016497911 /nfs/dbraw/zinc/49/79/11/1016497911.db2.gz GTWNWMQUWMZMOE-ICSRJNTNSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318040 1016497920 /nfs/dbraw/zinc/49/79/20/1016497920.db2.gz GTWNWMQUWMZMOE-ICSRJNTNSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318040 1016497930 /nfs/dbraw/zinc/49/79/30/1016497930.db2.gz GTWNWMQUWMZMOE-ICSRJNTNSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318040 1016497937 /nfs/dbraw/zinc/49/79/37/1016497937.db2.gz GTWNWMQUWMZMOE-ICSRJNTNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000624120816 1016607411 /nfs/dbraw/zinc/60/74/11/1016607411.db2.gz HLNOQDMQTSHRHB-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000275399837 1016696320 /nfs/dbraw/zinc/69/63/20/1016696320.db2.gz CKPWYKPFZMKNHF-OLZOCXBDSA-N 2 1 334.261 3.559 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311514598 1016801272 /nfs/dbraw/zinc/80/12/72/1016801272.db2.gz HZOSZNQNFNRNQX-FXAWDEMLSA-N 2 1 348.494 3.643 20 0 EHADMP CC(C)N(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001167259313 1016838851 /nfs/dbraw/zinc/83/88/51/1016838851.db2.gz PRCQAYUUKNCOTI-KRWDZBQOSA-N 2 1 346.437 3.617 20 0 EHADMP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001167259313 1016838871 /nfs/dbraw/zinc/83/88/71/1016838871.db2.gz PRCQAYUUKNCOTI-KRWDZBQOSA-N 2 1 346.437 3.617 20 0 EHADMP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[N@H+](C)C(C)C ZINC001167259313 1016838879 /nfs/dbraw/zinc/83/88/79/1016838879.db2.gz PRCQAYUUKNCOTI-KRWDZBQOSA-N 2 1 346.437 3.617 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001167259313 1016838890 /nfs/dbraw/zinc/83/88/90/1016838890.db2.gz PRCQAYUUKNCOTI-KRWDZBQOSA-N 2 1 346.437 3.617 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000179540071 1016874969 /nfs/dbraw/zinc/87/49/69/1016874969.db2.gz LFRLLWQVGMKNRU-WIYYLYMNSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000179540091 1016875113 /nfs/dbraw/zinc/87/51/13/1016875113.db2.gz LFRLLWQVGMKNRU-NQIIRXRSSA-N 2 1 338.495 3.880 20 0 EHADMP COc1cc(F)cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000449101696 1032182074 /nfs/dbraw/zinc/18/20/74/1032182074.db2.gz VCUJXAIMISOGSP-UHFFFAOYSA-N 2 1 330.447 3.964 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449108974 1032190056 /nfs/dbraw/zinc/19/00/56/1032190056.db2.gz WLAOOLLHZLDJLN-IBGZPJMESA-N 2 1 348.918 3.976 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000449088579 1032194160 /nfs/dbraw/zinc/19/41/60/1032194160.db2.gz ICDNFAKRTIHMHZ-KGLIPLIRSA-N 2 1 331.460 3.666 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000449088579 1032194171 /nfs/dbraw/zinc/19/41/71/1032194171.db2.gz ICDNFAKRTIHMHZ-KGLIPLIRSA-N 2 1 331.460 3.666 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634914 1032213320 /nfs/dbraw/zinc/21/33/20/1032213320.db2.gz VMSPGPLAPLKWGR-GIVPXCGWSA-N 2 1 340.515 3.550 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634914 1032213333 /nfs/dbraw/zinc/21/33/33/1032213333.db2.gz VMSPGPLAPLKWGR-GIVPXCGWSA-N 2 1 340.515 3.550 20 0 EHADMP C[N@H+](Cc1ccc(Br)c(F)c1F)CC1CC[NH+](C)CC1 ZINC000528383995 1032237195 /nfs/dbraw/zinc/23/71/95/1032237195.db2.gz YVXJRPFLPMSOHJ-UHFFFAOYSA-N 2 1 347.247 3.501 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2ccccc2)CC1 ZINC000449145129 1032248559 /nfs/dbraw/zinc/24/85/59/1032248559.db2.gz WIGFTKPQBRNLRW-LJQANCHMSA-N 2 1 332.532 3.989 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461107767 1032257168 /nfs/dbraw/zinc/25/71/68/1032257168.db2.gz CVHSMYVTMCCMOX-WMZOPIPTSA-N 2 1 348.531 3.691 20 0 EHADMP C[C@@H]1C[C@H](NCc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449175573 1032266654 /nfs/dbraw/zinc/26/66/54/1032266654.db2.gz KNLOJMVQVLLKCS-VQIMIIECSA-N 2 1 335.451 3.971 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3cccnc3o2)CCN1Cc1ccccc1 ZINC000449175573 1032266665 /nfs/dbraw/zinc/26/66/65/1032266665.db2.gz KNLOJMVQVLLKCS-VQIMIIECSA-N 2 1 335.451 3.971 20 0 EHADMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278744269 1032270471 /nfs/dbraw/zinc/27/04/71/1032270471.db2.gz AJUNNDMQRJMGMY-UHFFFAOYSA-N 2 1 325.456 3.608 20 0 EHADMP CCC[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000538304836 1032285375 /nfs/dbraw/zinc/28/53/75/1032285375.db2.gz MHQQEZVWJGZULD-MXEMCNAFSA-N 2 1 330.516 3.754 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000538307100 1032286697 /nfs/dbraw/zinc/28/66/97/1032286697.db2.gz VQYRHSJTZZHBQQ-UHFFFAOYSA-N 2 1 346.544 3.825 20 0 EHADMP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459564007 1032291701 /nfs/dbraw/zinc/29/17/01/1032291701.db2.gz PLNJWDRCKPLGRM-OAHLLOKOSA-N 2 1 326.406 3.624 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CCCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000449227549 1032344650 /nfs/dbraw/zinc/34/46/50/1032344650.db2.gz VEMMKUDHLQNMQD-GMBSWORKSA-N 2 1 330.520 3.867 20 0 EHADMP C[N@H+](Cc1cc2cccnc2o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449241399 1032376013 /nfs/dbraw/zinc/37/60/13/1032376013.db2.gz SOUQTFCHJNRPCI-UHFFFAOYSA-N 2 1 336.439 3.571 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)Oc1ccccc1 ZINC000536878633 1032382009 /nfs/dbraw/zinc/38/20/09/1032382009.db2.gz TWLAMPLGCWTUDY-WOIUINJBSA-N 2 1 338.495 3.954 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730543 1032434584 /nfs/dbraw/zinc/43/45/84/1032434584.db2.gz KOYYKBLYSMELCB-GOSISDBHSA-N 2 1 340.515 3.817 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000459778712 1032465515 /nfs/dbraw/zinc/46/55/15/1032465515.db2.gz LGVVBMKWQLMQNP-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000449401562 1032524061 /nfs/dbraw/zinc/52/40/61/1032524061.db2.gz HPURTQMSKUQXLB-FDFHNCONSA-N 2 1 335.495 3.780 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449440406 1032584704 /nfs/dbraw/zinc/58/47/04/1032584704.db2.gz ZGCULBLMYSXVQX-QGZVFWFLSA-N 2 1 344.421 3.593 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090707497 1032591315 /nfs/dbraw/zinc/59/13/15/1032591315.db2.gz AHOBQQQNCSFVRT-ZXDFIECXSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090707497 1032591328 /nfs/dbraw/zinc/59/13/28/1032591328.db2.gz AHOBQQQNCSFVRT-ZXDFIECXSA-N 3 1 343.559 3.750 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000537294027 1032600506 /nfs/dbraw/zinc/60/05/06/1032600506.db2.gz RQYPSFQMFWEPBR-KBAYOESNSA-N 2 1 336.545 3.753 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000537294027 1032600516 /nfs/dbraw/zinc/60/05/16/1032600516.db2.gz RQYPSFQMFWEPBR-KBAYOESNSA-N 2 1 336.545 3.753 20 0 EHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432116 1032679102 /nfs/dbraw/zinc/67/91/02/1032679102.db2.gz RQSUZTWIPJXYHA-UEXGIBASSA-N 2 1 347.522 3.767 20 0 EHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432116 1032679107 /nfs/dbraw/zinc/67/91/07/1032679107.db2.gz RQSUZTWIPJXYHA-UEXGIBASSA-N 2 1 347.522 3.767 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000091286476 1032681537 /nfs/dbraw/zinc/68/15/37/1032681537.db2.gz AKZAFRARYMHYRB-SJORKVTESA-N 2 1 328.504 3.879 20 0 EHADMP CC(C)Oc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655690845 1017398084 /nfs/dbraw/zinc/39/80/84/1017398084.db2.gz MBFPRJWDNHDBQQ-UWJYYQICSA-N 2 1 346.515 3.768 20 0 EHADMP Clc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000415033811 1017436919 /nfs/dbraw/zinc/43/69/19/1017436919.db2.gz HGNSYTBMGDUUTN-ZDUSSCGKSA-N 2 1 336.888 3.537 20 0 EHADMP c1cc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)cs1 ZINC000415036664 1017452129 /nfs/dbraw/zinc/45/21/29/1017452129.db2.gz FXFYTHMAGOEZOJ-XJKSGUPXSA-N 2 1 333.526 3.836 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)cs1 ZINC000415036664 1017452134 /nfs/dbraw/zinc/45/21/34/1017452134.db2.gz FXFYTHMAGOEZOJ-XJKSGUPXSA-N 2 1 333.526 3.836 20 0 EHADMP Cc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415055786 1017478254 /nfs/dbraw/zinc/47/82/54/1017478254.db2.gz RKBWNNVKWNLJIA-TZMCWYRMSA-N 2 1 343.334 3.783 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415055786 1017478262 /nfs/dbraw/zinc/47/82/62/1017478262.db2.gz RKBWNNVKWNLJIA-TZMCWYRMSA-N 2 1 343.334 3.783 20 0 EHADMP Clc1ccc(OCc2cccnc2)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415067978 1017499460 /nfs/dbraw/zinc/49/94/60/1017499460.db2.gz LWFFJQLZYSSKNL-UHFFFAOYSA-N 2 1 345.874 3.546 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071568 1017514841 /nfs/dbraw/zinc/51/48/41/1017514841.db2.gz WOLFRCAHEHJBJF-KXBFYZLASA-N 2 1 331.504 3.634 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415129013 1017593502 /nfs/dbraw/zinc/59/35/02/1017593502.db2.gz TYAGPBPZLFFXGH-KDOFPFPSSA-N 2 1 340.870 3.506 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 ZINC000655787488 1017596048 /nfs/dbraw/zinc/59/60/48/1017596048.db2.gz WWPRRMZIFVPGKO-FGZHOGPDSA-N 2 1 342.527 3.631 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000580301721 1017728341 /nfs/dbraw/zinc/72/83/41/1017728341.db2.gz KFSOJSJENOXSBB-FTRWYGJKSA-N 2 1 339.483 3.562 20 0 EHADMP CCOc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000076272904 1018011125 /nfs/dbraw/zinc/01/11/25/1018011125.db2.gz IKWRZDBRZGCDRJ-UHFFFAOYSA-N 2 1 340.467 3.545 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn3ccnc3s2)[C@H]1c1cccs1 ZINC000893021632 1018188038 /nfs/dbraw/zinc/18/80/38/1018188038.db2.gz VQFJEZQDRJJRBK-BBRMVZONSA-N 2 1 346.525 3.630 20 0 EHADMP C[C@H](CC1CCCCC1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377713881 1018252298 /nfs/dbraw/zinc/25/22/98/1018252298.db2.gz BVPRLQCCEZUITF-VMSMKEMKSA-N 2 1 347.591 3.836 20 0 EHADMP COc1ccc(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000472855460 1018321974 /nfs/dbraw/zinc/32/19/74/1018321974.db2.gz UGSLEOVVYFOOMK-FQEVSTJZSA-N 2 1 330.516 3.824 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000659873662 1018556052 /nfs/dbraw/zinc/55/60/52/1018556052.db2.gz MKYSZNPLHLBFDX-UHFFFAOYSA-N 2 1 339.483 3.896 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513072190 1018896009 /nfs/dbraw/zinc/89/60/09/1018896009.db2.gz ZEFRBOGFTBYLBP-DUXKGJEZSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513072190 1018896032 /nfs/dbraw/zinc/89/60/32/1018896032.db2.gz ZEFRBOGFTBYLBP-DUXKGJEZSA-N 2 1 330.516 3.570 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576398349 1018930052 /nfs/dbraw/zinc/93/00/52/1018930052.db2.gz DNJKLCVPPVPIBV-NRFANRHFSA-N 2 1 341.543 3.648 20 0 EHADMP Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CCC[NH2+]C2)c1 ZINC000261757043 1018939410 /nfs/dbraw/zinc/93/94/10/1018939410.db2.gz CQBSCNIFMHWQMM-UNMCSNQZSA-N 2 1 338.495 3.530 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1C)CCCS2 ZINC000275885978 1019388573 /nfs/dbraw/zinc/38/85/73/1019388573.db2.gz PZVPCMJCQAJNDN-QGZVFWFLSA-N 2 1 331.485 3.807 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CCCS2 ZINC000275885974 1019390100 /nfs/dbraw/zinc/39/01/00/1019390100.db2.gz PZVPCMJCQAJNDN-KRWDZBQOSA-N 2 1 331.485 3.807 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000430009758 1019455946 /nfs/dbraw/zinc/45/59/46/1019455946.db2.gz XBUFQHMOPPWNIX-HNNXBMFYSA-N 2 1 334.891 3.703 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000430009758 1019455956 /nfs/dbraw/zinc/45/59/56/1019455956.db2.gz XBUFQHMOPPWNIX-HNNXBMFYSA-N 2 1 334.891 3.703 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000513325376 1019533513 /nfs/dbraw/zinc/53/35/13/1019533513.db2.gz HPILKTFQSUNTKY-WMQCIHAUSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000513325376 1019533535 /nfs/dbraw/zinc/53/35/35/1019533535.db2.gz HPILKTFQSUNTKY-WMQCIHAUSA-N 2 1 330.516 3.834 20 0 EHADMP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000262091241 1019533576 /nfs/dbraw/zinc/53/35/76/1019533576.db2.gz ALFSIYFXDXGTQY-LJQANCHMSA-N 2 1 328.460 3.511 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000513340964 1019543402 /nfs/dbraw/zinc/54/34/02/1019543402.db2.gz OXDVKHHCFMMETF-PBASOCQRSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000513340964 1019543420 /nfs/dbraw/zinc/54/34/20/1019543420.db2.gz OXDVKHHCFMMETF-PBASOCQRSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000513340965 1019543894 /nfs/dbraw/zinc/54/38/94/1019543894.db2.gz OXDVKHHCFMMETF-WLRLJWMZSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000513340965 1019543903 /nfs/dbraw/zinc/54/39/03/1019543903.db2.gz OXDVKHHCFMMETF-WLRLJWMZSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1ncc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000513487252 1019745362 /nfs/dbraw/zinc/74/53/62/1019745362.db2.gz ACNFLXLGRJECSD-YJBOKZPZSA-N 2 1 329.513 3.842 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000513532224 1019802195 /nfs/dbraw/zinc/80/21/95/1019802195.db2.gz LGUXMHLGEBYIID-SAPNQHFASA-N 2 1 348.918 3.978 20 0 EHADMP CC(C)c1[nH+]c(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccn21 ZINC000656277764 1019894613 /nfs/dbraw/zinc/89/46/13/1019894613.db2.gz NRZQAFCIQQNVJF-SJLPKXTDSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1[nH+]c(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccn21 ZINC000656277764 1019894617 /nfs/dbraw/zinc/89/46/17/1019894617.db2.gz NRZQAFCIQQNVJF-SJLPKXTDSA-N 2 1 326.488 3.564 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000513678618 1019928388 /nfs/dbraw/zinc/92/83/88/1019928388.db2.gz PWGVSXIBMNIHTM-KBMXLJTQSA-N 2 1 342.405 3.547 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345179362 1020030400 /nfs/dbraw/zinc/03/04/00/1020030400.db2.gz LRQLYAVWZFVKEO-CYBMUJFWSA-N 2 1 329.257 3.552 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000574288487 1032880310 /nfs/dbraw/zinc/88/03/10/1032880310.db2.gz NNAFUGUDFFKQBY-APWZRJJASA-N 2 1 340.467 3.586 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000574288487 1032880326 /nfs/dbraw/zinc/88/03/26/1032880326.db2.gz NNAFUGUDFFKQBY-APWZRJJASA-N 2 1 340.467 3.586 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581011097 1020352294 /nfs/dbraw/zinc/35/22/94/1020352294.db2.gz CEYSJPXYMSRACI-NRFANRHFSA-N 2 1 338.499 3.571 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581011097 1020352306 /nfs/dbraw/zinc/35/23/06/1020352306.db2.gz CEYSJPXYMSRACI-NRFANRHFSA-N 2 1 338.499 3.571 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000581019796 1020357579 /nfs/dbraw/zinc/35/75/79/1020357579.db2.gz MXCOUCKASXPIDY-UHFFFAOYSA-N 2 1 325.378 3.896 20 0 EHADMP Fc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168402437 1032901364 /nfs/dbraw/zinc/90/13/64/1032901364.db2.gz ZJOQJKKDGUOUDR-XMSQKQJNSA-N 2 1 338.470 3.795 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000065976503 1020518015 /nfs/dbraw/zinc/51/80/15/1020518015.db2.gz XQXXZHLHUSMJAV-UHFFFAOYSA-N 2 1 340.467 3.588 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280662908 1020555380 /nfs/dbraw/zinc/55/53/80/1020555380.db2.gz PGDNVMRWCIKGJH-UHFFFAOYSA-N 2 1 349.482 3.924 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000156181997 1020776872 /nfs/dbraw/zinc/77/68/72/1020776872.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000156181997 1020776879 /nfs/dbraw/zinc/77/68/79/1020776879.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156181997 1020776888 /nfs/dbraw/zinc/77/68/88/1020776888.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000156181997 1020776896 /nfs/dbraw/zinc/77/68/96/1020776896.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000156181997 1020776903 /nfs/dbraw/zinc/77/69/03/1020776903.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000156181997 1020776913 /nfs/dbraw/zinc/77/69/13/1020776913.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000156181997 1020776918 /nfs/dbraw/zinc/77/69/18/1020776918.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000156181997 1020776927 /nfs/dbraw/zinc/77/69/27/1020776927.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156181997 1020776937 /nfs/dbraw/zinc/77/69/37/1020776937.db2.gz YNYHUOOONMCMCH-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289666 1021277835 /nfs/dbraw/zinc/27/78/35/1021277835.db2.gz FDHFGVIGJHQQDB-DBVUQKKJSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289666 1021277837 /nfs/dbraw/zinc/27/78/37/1021277837.db2.gz FDHFGVIGJHQQDB-DBVUQKKJSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000507471834 1021285325 /nfs/dbraw/zinc/28/53/25/1021285325.db2.gz PULLHYNVGIQPJU-LQWHRVPQSA-N 2 1 330.516 3.966 20 0 EHADMP Brc1ccsc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782012 1021320682 /nfs/dbraw/zinc/32/06/82/1021320682.db2.gz CNJYNYRGTKNJPP-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(n2)CCC3)C[N@H+]1Cc1ccccc1 ZINC000519689554 1021624737 /nfs/dbraw/zinc/62/47/37/1021624737.db2.gz GPPFBBNIVGCRNH-AZUAARDMSA-N 2 1 349.522 3.961 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]2CCO[C@H]21 ZINC000516649838 1021627142 /nfs/dbraw/zinc/62/71/42/1021627142.db2.gz AUNPYJWWMIRTKU-IYWMVGAKSA-N 2 1 340.511 3.587 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]2CCO[C@H]21 ZINC000516649838 1021627149 /nfs/dbraw/zinc/62/71/49/1021627149.db2.gz AUNPYJWWMIRTKU-IYWMVGAKSA-N 2 1 340.511 3.587 20 0 EHADMP Cc1nc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[nH]c1C ZINC000581738000 1021656376 /nfs/dbraw/zinc/65/63/76/1021656376.db2.gz ZABUDSISARHVRZ-HNNXBMFYSA-N 2 1 326.488 3.548 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[nH]c1C ZINC000581738000 1021656380 /nfs/dbraw/zinc/65/63/80/1021656380.db2.gz ZABUDSISARHVRZ-HNNXBMFYSA-N 2 1 326.488 3.548 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[nH]c1C ZINC000581738000 1021656384 /nfs/dbraw/zinc/65/63/84/1021656384.db2.gz ZABUDSISARHVRZ-HNNXBMFYSA-N 2 1 326.488 3.548 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000341504020 1022044479 /nfs/dbraw/zinc/04/44/79/1022044479.db2.gz XCTUUTJXYDEHAR-QGZVFWFLSA-N 2 1 335.289 3.678 20 0 EHADMP Cc1ccc(SCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000441227086 1022079387 /nfs/dbraw/zinc/07/93/87/1022079387.db2.gz LVXIBNYAYZLNTQ-DFQSSKMNSA-N 2 1 348.556 3.579 20 0 EHADMP CC(C)[N@H+](Cc1ccc(Br)cc1)CC1CC[NH2+]CC1 ZINC000094012087 1022087099 /nfs/dbraw/zinc/08/70/99/1022087099.db2.gz ZILWHNQTIZQKLK-UHFFFAOYSA-N 2 1 325.294 3.659 20 0 EHADMP Clc1cc(Cl)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167968265 1022245179 /nfs/dbraw/zinc/24/51/79/1022245179.db2.gz OOVSGHGVQYKZSG-GOOCMWNKSA-N 2 1 340.298 3.883 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000519543283 1022314612 /nfs/dbraw/zinc/31/46/12/1022314612.db2.gz QLIGHIUEZKWQHW-CALCHBBNSA-N 2 1 349.494 3.502 20 0 EHADMP c1ccc(OCCCC[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000438066903 1022366383 /nfs/dbraw/zinc/36/63/83/1022366383.db2.gz SKOGSBYDCSECRH-UHFFFAOYSA-N 2 1 338.495 3.884 20 0 EHADMP c1ccc(OCCCC[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000438066903 1022366397 /nfs/dbraw/zinc/36/63/97/1022366397.db2.gz SKOGSBYDCSECRH-UHFFFAOYSA-N 2 1 338.495 3.884 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nccc2c1CCCC2 ZINC000894479823 1022372042 /nfs/dbraw/zinc/37/20/42/1022372042.db2.gz RWSILXRBEQIHQL-UHFFFAOYSA-N 2 1 326.488 3.632 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000894479823 1022372055 /nfs/dbraw/zinc/37/20/55/1022372055.db2.gz RWSILXRBEQIHQL-UHFFFAOYSA-N 2 1 326.488 3.632 20 0 EHADMP CC(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969847 1022389339 /nfs/dbraw/zinc/38/93/39/1022389339.db2.gz GECLXLASBBENPP-JUFJKOEGSA-N 2 1 326.484 3.945 20 0 EHADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976687 1022407754 /nfs/dbraw/zinc/40/77/54/1022407754.db2.gz SAEHGRVILLDCRZ-NXHRZFHOSA-N 2 1 340.471 3.509 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000550097561 1022424246 /nfs/dbraw/zinc/42/42/46/1022424246.db2.gz SHAXADCCBIJFDY-OTWHNJEPSA-N 2 1 338.536 3.599 20 0 EHADMP c1ccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995452 1022439301 /nfs/dbraw/zinc/43/93/01/1022439301.db2.gz GFHYERLJOFBJAL-CZJMCEMMSA-N 2 1 340.511 3.935 20 0 EHADMP c1ccc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995452 1022439312 /nfs/dbraw/zinc/43/93/12/1022439312.db2.gz GFHYERLJOFBJAL-CZJMCEMMSA-N 2 1 340.511 3.935 20 0 EHADMP c1ccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995452 1022439323 /nfs/dbraw/zinc/43/93/23/1022439323.db2.gz GFHYERLJOFBJAL-CZJMCEMMSA-N 2 1 340.511 3.935 20 0 EHADMP c1ccc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)nc1 ZINC001167995586 1022456736 /nfs/dbraw/zinc/45/67/36/1022456736.db2.gz JZQIRYSLBXXRDI-GURQWTFNSA-N 2 1 325.500 3.666 20 0 EHADMP Cc1ccc(N2CCC([NH2+]C[C@H](C)c3ccc(F)cc3)CC2)[nH+]c1 ZINC000438193039 1022464291 /nfs/dbraw/zinc/46/42/91/1022464291.db2.gz VFJQQAGUFBUGHQ-INIZCTEOSA-N 2 1 327.447 3.891 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602659505 1033057301 /nfs/dbraw/zinc/05/73/01/1033057301.db2.gz OUJLNMXDRVSJAP-QUCCMNQESA-N 2 1 344.499 3.678 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602659505 1033057318 /nfs/dbraw/zinc/05/73/18/1033057318.db2.gz OUJLNMXDRVSJAP-QUCCMNQESA-N 2 1 344.499 3.678 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000438274611 1022514851 /nfs/dbraw/zinc/51/48/51/1022514851.db2.gz SYLCJTBWLBEIEC-UHFFFAOYSA-N 2 1 332.451 3.739 20 0 EHADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973180 1022518455 /nfs/dbraw/zinc/51/84/55/1022518455.db2.gz GRRZEIOHJGJRIN-YADHBBJMSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973180 1022518462 /nfs/dbraw/zinc/51/84/62/1022518462.db2.gz GRRZEIOHJGJRIN-YADHBBJMSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425973180 1022518472 /nfs/dbraw/zinc/51/84/72/1022518472.db2.gz GRRZEIOHJGJRIN-YADHBBJMSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425973180 1022518481 /nfs/dbraw/zinc/51/84/81/1022518481.db2.gz GRRZEIOHJGJRIN-YADHBBJMSA-N 2 1 338.495 3.707 20 0 EHADMP Fc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167975123 1022569261 /nfs/dbraw/zinc/56/92/61/1022569261.db2.gz HXIJZBZVMAHBRE-UDEWTMQYSA-N 2 1 328.475 3.678 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000517766739 1022646654 /nfs/dbraw/zinc/64/66/54/1022646654.db2.gz YOKPKXPFQFPFQY-AEGPPILISA-N 2 1 343.298 3.835 20 0 EHADMP CCc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccccc2[nH+]1 ZINC000126274050 1022793516 /nfs/dbraw/zinc/79/35/16/1022793516.db2.gz BOCSHNCADIMESK-INIZCTEOSA-N 2 1 334.467 3.990 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000550238385 1022826620 /nfs/dbraw/zinc/82/66/20/1022826620.db2.gz DUGJGBNPHADNHI-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000550238385 1022826639 /nfs/dbraw/zinc/82/66/39/1022826639.db2.gz DUGJGBNPHADNHI-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000550238385 1022826652 /nfs/dbraw/zinc/82/66/52/1022826652.db2.gz DUGJGBNPHADNHI-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)oc2c1 ZINC000426070758 1022834690 /nfs/dbraw/zinc/83/46/90/1022834690.db2.gz PORVAZVYAPMWDD-IRXDYDNUSA-N 2 1 342.483 3.893 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341679051 1022968044 /nfs/dbraw/zinc/96/80/44/1022968044.db2.gz AAVDLMGTRYVKLH-YRNRMSPPSA-N 2 1 334.479 3.682 20 0 EHADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000414947056 1022978019 /nfs/dbraw/zinc/97/80/19/1022978019.db2.gz UIANBRHNHSRGIG-JTQLQIEISA-N 2 1 325.275 3.614 20 0 EHADMP CCCOc1ccc(C[N@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000092165712 1023360719 /nfs/dbraw/zinc/36/07/19/1023360719.db2.gz JMKNNJXPBHJMCW-UHFFFAOYSA-N 2 1 334.504 3.790 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000092165712 1023360723 /nfs/dbraw/zinc/36/07/23/1023360723.db2.gz JMKNNJXPBHJMCW-UHFFFAOYSA-N 2 1 334.504 3.790 20 0 EHADMP Cc1ccccc1[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481578 1023476075 /nfs/dbraw/zinc/47/60/75/1023476075.db2.gz PGFDQHSTHKFTAK-CBQOVEMMSA-N 2 1 338.495 3.529 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000144790605 1023735581 /nfs/dbraw/zinc/73/55/81/1023735581.db2.gz AHDGNHVNQINXRB-HXUWFJFHSA-N 2 1 339.483 3.770 20 0 EHADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082368 1023890719 /nfs/dbraw/zinc/89/07/19/1023890719.db2.gz INWFDVPYXSZLJZ-XIRDDKMYSA-N 2 1 345.874 3.863 20 0 EHADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082368 1023890732 /nfs/dbraw/zinc/89/07/32/1023890732.db2.gz INWFDVPYXSZLJZ-XIRDDKMYSA-N 2 1 345.874 3.863 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCC3(COC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168045452 1023971762 /nfs/dbraw/zinc/97/17/62/1023971762.db2.gz KEEUQFZCLJUXPW-OPVJXMOQSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC3(COC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045452 1023971780 /nfs/dbraw/zinc/97/17/80/1023971780.db2.gz KEEUQFZCLJUXPW-OPVJXMOQSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC3(COC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045452 1023971793 /nfs/dbraw/zinc/97/17/93/1023971793.db2.gz KEEUQFZCLJUXPW-OPVJXMOQSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000093644557 1023985450 /nfs/dbraw/zinc/98/54/50/1023985450.db2.gz IVGXVWSQHJTHGQ-QUCCMNQESA-N 2 1 331.548 3.559 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644557 1023985457 /nfs/dbraw/zinc/98/54/57/1023985457.db2.gz IVGXVWSQHJTHGQ-QUCCMNQESA-N 2 1 331.548 3.559 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644557 1023985469 /nfs/dbraw/zinc/98/54/69/1023985469.db2.gz IVGXVWSQHJTHGQ-QUCCMNQESA-N 2 1 331.548 3.559 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCC(F)(F)CC1 ZINC000474070913 1024002764 /nfs/dbraw/zinc/00/27/64/1024002764.db2.gz AHWKZUJHKIPDHW-MRXNPFEDSA-N 2 1 344.490 3.825 20 0 EHADMP Clc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000389364585 1024004523 /nfs/dbraw/zinc/00/45/23/1024004523.db2.gz CVSGULFQEMJCPI-BETUJISGSA-N 2 1 343.696 3.534 20 0 EHADMP CC(C)[N@@H+](C)CC1CCN(Cn2c3ccccc3n(C)c2=S)CC1 ZINC000738091363 1024118555 /nfs/dbraw/zinc/11/85/55/1024118555.db2.gz WEMKWXBBUJDEMT-UHFFFAOYSA-N 2 1 346.544 3.719 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cn2c3ccccc3n(C)c2=S)CC1 ZINC000738091363 1024118565 /nfs/dbraw/zinc/11/85/65/1024118565.db2.gz WEMKWXBBUJDEMT-UHFFFAOYSA-N 2 1 346.544 3.719 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2c3ccccc3n(C)c2=S)CC1 ZINC000738091363 1024118574 /nfs/dbraw/zinc/11/85/74/1024118574.db2.gz WEMKWXBBUJDEMT-UHFFFAOYSA-N 2 1 346.544 3.719 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCOC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168046527 1024136243 /nfs/dbraw/zinc/13/62/43/1024136243.db2.gz NSCZPNJWZCPFKU-MXNKGDRCSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046527 1024136249 /nfs/dbraw/zinc/13/62/49/1024136249.db2.gz NSCZPNJWZCPFKU-MXNKGDRCSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046527 1024136252 /nfs/dbraw/zinc/13/62/52/1024136252.db2.gz NSCZPNJWZCPFKU-MXNKGDRCSA-N 2 1 342.527 3.931 20 0 EHADMP c1[nH+]c(C2CC[NH+](CCCOc3ccccc3)CC2)n2c1CCCC2 ZINC000434680951 1024275231 /nfs/dbraw/zinc/27/52/31/1024275231.db2.gz LXJFGSPSSYDFCY-UHFFFAOYSA-N 2 1 339.483 3.868 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cnccc3o2)[C@@H](C)C1 ZINC000657884103 1033200572 /nfs/dbraw/zinc/20/05/72/1033200572.db2.gz KAFBIRYFVXBHAD-BQFCYCMXSA-N 2 1 345.487 3.615 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cnccc3o2)[C@@H](C)C1 ZINC000657884103 1033200587 /nfs/dbraw/zinc/20/05/87/1033200587.db2.gz KAFBIRYFVXBHAD-BQFCYCMXSA-N 2 1 345.487 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024767 1024359346 /nfs/dbraw/zinc/35/93/46/1024359346.db2.gz IRYLADXBNPAGFH-OPMZPASUSA-N 3 1 337.511 3.677 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024767 1024359362 /nfs/dbraw/zinc/35/93/62/1024359362.db2.gz IRYLADXBNPAGFH-OPMZPASUSA-N 2 1 337.511 3.677 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024767 1024359377 /nfs/dbraw/zinc/35/93/77/1024359377.db2.gz IRYLADXBNPAGFH-OPMZPASUSA-N 2 1 337.511 3.677 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001168024767 1024359394 /nfs/dbraw/zinc/35/93/94/1024359394.db2.gz IRYLADXBNPAGFH-OPMZPASUSA-N 2 1 337.511 3.677 20 0 EHADMP COc1ccc([C@H](C)[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000346118049 1024417915 /nfs/dbraw/zinc/41/79/15/1024417915.db2.gz CJGQXWSIXHVGQA-INIZCTEOSA-N 2 1 336.439 3.777 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(O)cc(F)c1 ZINC000472035916 1024426195 /nfs/dbraw/zinc/42/61/95/1024426195.db2.gz AVOWWDDOGQHCJA-HOTGVXAUSA-N 2 1 342.458 3.778 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000346127119 1024426674 /nfs/dbraw/zinc/42/66/74/1024426674.db2.gz AKNAQMXMNIYPNE-UHFFFAOYSA-N 2 1 336.414 3.879 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000346127119 1024426680 /nfs/dbraw/zinc/42/66/80/1024426680.db2.gz AKNAQMXMNIYPNE-UHFFFAOYSA-N 2 1 336.414 3.879 20 0 EHADMP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000346139450 1024440047 /nfs/dbraw/zinc/44/00/47/1024440047.db2.gz VKOPGIVMIJFFEX-AWEZNQCLSA-N 2 1 341.484 3.842 20 0 EHADMP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000346139450 1024440056 /nfs/dbraw/zinc/44/00/56/1024440056.db2.gz VKOPGIVMIJFFEX-AWEZNQCLSA-N 2 1 341.484 3.842 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000346152286 1024453418 /nfs/dbraw/zinc/45/34/18/1024453418.db2.gz ZVUUZNIPXIANNO-QGZVFWFLSA-N 2 1 336.414 3.704 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000280965609 1024498636 /nfs/dbraw/zinc/49/86/36/1024498636.db2.gz AEZFPNRJWAKKNF-UHFFFAOYSA-N 2 1 328.504 3.902 20 0 EHADMP CC[C@@H]1C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCO1 ZINC000435059381 1024586810 /nfs/dbraw/zinc/58/68/10/1024586810.db2.gz HRDXJBGNHYXLFO-QFBILLFUSA-N 2 1 331.504 3.604 20 0 EHADMP OCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882359 1033224095 /nfs/dbraw/zinc/22/40/95/1033224095.db2.gz JNNOZPUNGRUFEU-SFTDATJTSA-N 2 1 342.527 3.714 20 0 EHADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882359 1033224106 /nfs/dbraw/zinc/22/41/06/1033224106.db2.gz JNNOZPUNGRUFEU-SFTDATJTSA-N 2 1 342.527 3.714 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000538524825 1024691619 /nfs/dbraw/zinc/69/16/19/1024691619.db2.gz ZNLYHARSBGMJLI-UHFFFAOYSA-N 2 1 337.305 3.902 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639158534 1024733360 /nfs/dbraw/zinc/73/33/60/1024733360.db2.gz VTIOOKVRNKCEEM-ICSRJNTNSA-N 2 1 328.500 3.761 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639158534 1024733369 /nfs/dbraw/zinc/73/33/69/1024733369.db2.gz VTIOOKVRNKCEEM-ICSRJNTNSA-N 2 1 328.500 3.761 20 0 EHADMP CCOC(=O)CC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168032865 1024750491 /nfs/dbraw/zinc/75/04/91/1024750491.db2.gz IKEBLDUHKOKXAL-IZZQQSIFSA-N 2 1 344.499 3.503 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435376367 1024840480 /nfs/dbraw/zinc/84/04/80/1024840480.db2.gz ZGQOVXXXVHNHIP-YJBOKZPZSA-N 2 1 328.431 3.574 20 0 EHADMP CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435381661 1024863386 /nfs/dbraw/zinc/86/33/86/1024863386.db2.gz VFLNWPRBPFVHCO-FQEVSTJZSA-N 2 1 339.483 3.625 20 0 EHADMP CCOc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435390430 1024875006 /nfs/dbraw/zinc/87/50/06/1024875006.db2.gz PFGLTTLYDFVZPF-OAHLLOKOSA-N 2 1 342.430 3.651 20 0 EHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435390037 1024877253 /nfs/dbraw/zinc/87/72/53/1024877253.db2.gz PXTPCYZADDVLFK-INIZCTEOSA-N 2 1 346.496 3.506 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435390037 1024877270 /nfs/dbraw/zinc/87/72/70/1024877270.db2.gz PXTPCYZADDVLFK-INIZCTEOSA-N 2 1 346.496 3.506 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435396056 1024895456 /nfs/dbraw/zinc/89/54/56/1024895456.db2.gz WICQBINHURACAA-ZDUSSCGKSA-N 2 1 327.453 3.727 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435396056 1024895465 /nfs/dbraw/zinc/89/54/65/1024895465.db2.gz WICQBINHURACAA-ZDUSSCGKSA-N 2 1 327.453 3.727 20 0 EHADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000665252479 1024948999 /nfs/dbraw/zinc/94/89/99/1024948999.db2.gz QNQKIMULYYVRFY-VXSCBNMQSA-N 2 1 335.495 3.843 20 0 EHADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000665267343 1025099064 /nfs/dbraw/zinc/09/90/64/1025099064.db2.gz VBURFPBRBCPZOD-FPMFFAJLSA-N 2 1 343.334 3.829 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cc1 ZINC000346795628 1025142395 /nfs/dbraw/zinc/14/23/95/1025142395.db2.gz NTQWYAKDYGFQDK-FOIQADDNSA-N 2 1 333.435 3.835 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1(c2ccccc2)CCCC1 ZINC000428241838 1025162395 /nfs/dbraw/zinc/16/23/95/1025162395.db2.gz LBDUIOXTEVSKQF-TZIWHRDSSA-N 2 1 344.543 3.713 20 0 EHADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351273 1025184713 /nfs/dbraw/zinc/18/47/13/1025184713.db2.gz FTYQLAXWCQIXFG-WOJBJXKFSA-N 2 1 330.516 3.570 20 0 EHADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351273 1025184722 /nfs/dbraw/zinc/18/47/22/1025184722.db2.gz FTYQLAXWCQIXFG-WOJBJXKFSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000157880723 1025186637 /nfs/dbraw/zinc/18/66/37/1025186637.db2.gz KFOYVBFJUPRBHR-HKARXFIJSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168013484 1025194133 /nfs/dbraw/zinc/19/41/33/1025194133.db2.gz HVOSUPXYQSYFAJ-IHOVJFEMSA-N 3 1 341.543 3.643 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013484 1025194139 /nfs/dbraw/zinc/19/41/39/1025194139.db2.gz HVOSUPXYQSYFAJ-IHOVJFEMSA-N 3 1 341.543 3.643 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013484 1025194145 /nfs/dbraw/zinc/19/41/45/1025194145.db2.gz HVOSUPXYQSYFAJ-IHOVJFEMSA-N 3 1 341.543 3.643 20 0 EHADMP CCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)OCCO1 ZINC001168039703 1025231670 /nfs/dbraw/zinc/23/16/70/1025231670.db2.gz HNGJXYHJGOZKFG-OPVJXMOQSA-N 2 1 346.515 3.561 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000469295690 1025274997 /nfs/dbraw/zinc/27/49/97/1025274997.db2.gz SFDJQENHFKTGND-LAUBAEHRSA-N 2 1 326.484 3.929 20 0 EHADMP CCc1cccc2cc(C[NH2+]C3CC[NH+](CCCOC)CC3)oc21 ZINC000657342705 1025322925 /nfs/dbraw/zinc/32/29/25/1025322925.db2.gz BYOAHNAYVZMLMA-UHFFFAOYSA-N 2 1 330.472 3.586 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000436058240 1025335976 /nfs/dbraw/zinc/33/59/76/1025335976.db2.gz XWSHGDHWDCYUSJ-LPHOPBHVSA-N 2 1 341.524 3.941 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000436058240 1025335985 /nfs/dbraw/zinc/33/59/85/1025335985.db2.gz XWSHGDHWDCYUSJ-LPHOPBHVSA-N 2 1 341.524 3.941 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000474706904 1025364677 /nfs/dbraw/zinc/36/46/77/1025364677.db2.gz INZSODUEKNGBPC-HGHNDWQTSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000152216917 1025364716 /nfs/dbraw/zinc/36/47/16/1025364716.db2.gz ASMXQPUDEHZYDR-GASCZTMLSA-N 2 1 336.442 3.540 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000474731160 1025398047 /nfs/dbraw/zinc/39/80/47/1025398047.db2.gz RCDQDULZIFYTPE-TXPKVOOTSA-N 2 1 338.923 3.659 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709804 1025436323 /nfs/dbraw/zinc/43/63/23/1025436323.db2.gz BCXZALKIUZPMSB-IXDOHACOSA-N 2 1 325.500 3.593 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000442781307 1025472467 /nfs/dbraw/zinc/47/24/67/1025472467.db2.gz PADSJHSINYWADE-ZIAGYGMSSA-N 2 1 330.394 3.534 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1c[nH]nc1-c1ccsc1)C1CCCCC1 ZINC000436279230 1025526022 /nfs/dbraw/zinc/52/60/22/1025526022.db2.gz IJOZRBSPVIILPG-UHFFFAOYSA-N 2 1 332.517 3.882 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1ccsc1)C1CCCCC1 ZINC000436279230 1025526028 /nfs/dbraw/zinc/52/60/28/1025526028.db2.gz IJOZRBSPVIILPG-UHFFFAOYSA-N 2 1 332.517 3.882 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657364451 1025544087 /nfs/dbraw/zinc/54/40/87/1025544087.db2.gz VQPCGMUICGTJNM-YJBOKZPZSA-N 2 1 347.528 3.523 20 0 EHADMP Clc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)ccn1 ZINC000281885502 1025656533 /nfs/dbraw/zinc/65/65/33/1025656533.db2.gz ANOJTGGBWBUTQO-HNNXBMFYSA-N 2 1 330.863 3.647 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374621 1025685176 /nfs/dbraw/zinc/68/51/76/1025685176.db2.gz OIOGANHUWUUKGA-CRAIPNDOSA-N 2 1 332.517 3.527 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374621 1025685184 /nfs/dbraw/zinc/68/51/84/1025685184.db2.gz OIOGANHUWUUKGA-CRAIPNDOSA-N 2 1 332.517 3.527 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000474876591 1025749424 /nfs/dbraw/zinc/74/94/24/1025749424.db2.gz IIJHAYCBPXODSF-IEBWSBKVSA-N 2 1 330.520 3.867 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000657385384 1025753731 /nfs/dbraw/zinc/75/37/31/1025753731.db2.gz YIUNKTKXGIFTAJ-UHFFFAOYSA-N 2 1 342.325 3.751 20 0 EHADMP COc1cccc(C[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2)c1 ZINC000530407464 1025780723 /nfs/dbraw/zinc/78/07/23/1025780723.db2.gz KDOVBAWHBYBJPI-NRFANRHFSA-N 2 1 335.451 3.545 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044109 1025815652 /nfs/dbraw/zinc/81/56/52/1025815652.db2.gz FIDIUTVCIBJWEL-ZVXZJYCBSA-N 2 1 328.500 3.539 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044109 1025815679 /nfs/dbraw/zinc/81/56/79/1025815679.db2.gz FIDIUTVCIBJWEL-ZVXZJYCBSA-N 2 1 328.500 3.539 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044109 1025815699 /nfs/dbraw/zinc/81/56/99/1025815699.db2.gz FIDIUTVCIBJWEL-ZVXZJYCBSA-N 2 1 328.500 3.539 20 0 EHADMP C[C@@H]1CC([N@@H+](C)C[C@H]2CCCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051813 1025906955 /nfs/dbraw/zinc/90/69/55/1025906955.db2.gz ISNLIUSLSZJSAQ-DBXWQHBBSA-N 2 1 330.516 3.929 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@H](c2ccccc2)C1 ZINC000647249354 1025962983 /nfs/dbraw/zinc/96/29/83/1025962983.db2.gz UVDDDMDWDGKIRO-POHUPDAJSA-N 2 1 342.527 3.517 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCOCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168052414 1025968423 /nfs/dbraw/zinc/96/84/23/1025968423.db2.gz KTLOPGUURRKWGD-OPVJXMOQSA-N 2 1 328.500 3.540 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168016389 1025969926 /nfs/dbraw/zinc/96/99/26/1025969926.db2.gz VPLGIXCSEQUAKP-XEMDLRDOSA-N 2 1 339.483 3.621 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168016389 1025969929 /nfs/dbraw/zinc/96/99/29/1025969929.db2.gz VPLGIXCSEQUAKP-XEMDLRDOSA-N 2 1 339.483 3.621 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000657413569 1026105273 /nfs/dbraw/zinc/10/52/73/1026105273.db2.gz LYBILRYMIAILAI-UYAOXDASSA-N 2 1 348.531 3.558 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2C2CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168056788 1026253903 /nfs/dbraw/zinc/25/39/03/1026253903.db2.gz IOULXMLIGPWBST-HRQSHJORSA-N 2 1 328.500 3.539 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C2CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168056788 1026253912 /nfs/dbraw/zinc/25/39/12/1026253912.db2.gz IOULXMLIGPWBST-HRQSHJORSA-N 2 1 328.500 3.539 20 0 EHADMP CC(=O)[C@@H]1CCCC[N@@H+]1C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168059793 1026402240 /nfs/dbraw/zinc/40/22/40/1026402240.db2.gz HFYRHORMUWKGMK-FIKGOQFSSA-N 2 1 328.500 3.872 20 0 EHADMP CC(=O)[C@@H]1CCCCN1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059793 1026402247 /nfs/dbraw/zinc/40/22/47/1026402247.db2.gz HFYRHORMUWKGMK-FIKGOQFSSA-N 2 1 328.500 3.872 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)CC2CCCC2)CC1)CC1CC1 ZINC000475328268 1026480307 /nfs/dbraw/zinc/48/03/07/1026480307.db2.gz HMBDJDMASKRGLH-OAQYLSRUSA-N 2 1 336.564 3.762 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000249375768 1124753072 /nfs/dbraw/zinc/75/30/72/1124753072.db2.gz JTSKNFQXFNVEED-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000182651484 1026552322 /nfs/dbraw/zinc/55/23/22/1026552322.db2.gz AROIPRCOEKZGNB-QUCCMNQESA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182651484 1026552330 /nfs/dbraw/zinc/55/23/30/1026552330.db2.gz AROIPRCOEKZGNB-QUCCMNQESA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182651484 1026552341 /nfs/dbraw/zinc/55/23/41/1026552341.db2.gz AROIPRCOEKZGNB-QUCCMNQESA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182651484 1026552344 /nfs/dbraw/zinc/55/23/44/1026552344.db2.gz AROIPRCOEKZGNB-QUCCMNQESA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182651484 1026552349 /nfs/dbraw/zinc/55/23/49/1026552349.db2.gz AROIPRCOEKZGNB-QUCCMNQESA-N 2 1 328.500 3.577 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)C2CC[NH+](CCC)CC2)cc1 ZINC000531143298 1026627666 /nfs/dbraw/zinc/62/76/66/1026627666.db2.gz NVBDATNXPMOLOJ-UHFFFAOYSA-N 2 1 334.504 3.660 20 0 EHADMP COCCC[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301156311 1026704669 /nfs/dbraw/zinc/70/46/69/1026704669.db2.gz QCKIJHXMNNRKIZ-UHFFFAOYSA-N 2 1 333.863 3.801 20 0 EHADMP COc1cccc2c(NC[C@@H](c3ccco3)[NH+](C)C)cc(C)[nH+]c12 ZINC000301637241 1026885189 /nfs/dbraw/zinc/88/51/89/1026885189.db2.gz AHAMNXBOGLGCDW-INIZCTEOSA-N 2 1 325.412 3.860 20 0 EHADMP C[N@H+]1CCC[C@@H](CNc2ccnc3ccc(Br)cc32)C1 ZINC000301973517 1027012650 /nfs/dbraw/zinc/01/26/50/1027012650.db2.gz ATZRWEZANWNIAV-LBPRGKRZSA-N 2 1 334.261 3.751 20 0 EHADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000301973517 1027012662 /nfs/dbraw/zinc/01/26/62/1027012662.db2.gz ATZRWEZANWNIAV-LBPRGKRZSA-N 2 1 334.261 3.751 20 0 EHADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000301973517 1027012671 /nfs/dbraw/zinc/01/26/71/1027012671.db2.gz ATZRWEZANWNIAV-LBPRGKRZSA-N 2 1 334.261 3.751 20 0 EHADMP CCc1cc(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000302033345 1027029134 /nfs/dbraw/zinc/02/91/34/1027029134.db2.gz DCCTUTSLYJDDNT-LJQANCHMSA-N 2 1 340.471 3.605 20 0 EHADMP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2[nH+]1 ZINC000302038797 1027031625 /nfs/dbraw/zinc/03/16/25/1027031625.db2.gz GWPNOZMSEUJNGM-LJQANCHMSA-N 2 1 347.462 3.722 20 0 EHADMP CCc1cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302061087 1027040643 /nfs/dbraw/zinc/04/06/43/1027040643.db2.gz SXFKNULFYBLEEU-UHFFFAOYSA-N 2 1 338.499 3.696 20 0 EHADMP CCc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302061087 1027040659 /nfs/dbraw/zinc/04/06/59/1027040659.db2.gz SXFKNULFYBLEEU-UHFFFAOYSA-N 2 1 338.499 3.696 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000531610601 1027085727 /nfs/dbraw/zinc/08/57/27/1027085727.db2.gz PPSADNFAXZCNLU-YPGOJHLTSA-N 2 1 348.494 3.809 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531610601 1027085735 /nfs/dbraw/zinc/08/57/35/1027085735.db2.gz PPSADNFAXZCNLU-YPGOJHLTSA-N 2 1 348.494 3.809 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531610601 1027085743 /nfs/dbraw/zinc/08/57/43/1027085743.db2.gz PPSADNFAXZCNLU-YPGOJHLTSA-N 2 1 348.494 3.809 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(OC3CCCCC3)nc2)[C@@H](C)C1 ZINC000531708696 1027231957 /nfs/dbraw/zinc/23/19/57/1027231957.db2.gz LFTJCTCFAJHVKC-LPHOPBHVSA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@@H](C)C1 ZINC000531708696 1027231985 /nfs/dbraw/zinc/23/19/85/1027231985.db2.gz LFTJCTCFAJHVKC-LPHOPBHVSA-N 2 1 331.504 3.613 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000342805834 1027238478 /nfs/dbraw/zinc/23/84/78/1027238478.db2.gz KIIWGTXBWFKNGC-OAHLLOKOSA-N 2 1 345.450 3.950 20 0 EHADMP COc1cccc2c1ncc(C)c2NC[C@@H](c1ccco1)N(C)C ZINC000302735141 1027263093 /nfs/dbraw/zinc/26/30/93/1027263093.db2.gz YWHNCHYDCVAYMV-HNNXBMFYSA-N 2 1 325.412 3.860 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[N@H+]1C ZINC000453122593 1027399593 /nfs/dbraw/zinc/39/95/93/1027399593.db2.gz QJFVCUUPQFWIRQ-FYKMYLNBSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH+]1C ZINC000453122593 1027399606 /nfs/dbraw/zinc/39/96/06/1027399606.db2.gz QJFVCUUPQFWIRQ-FYKMYLNBSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH+]1C ZINC000453122593 1027399621 /nfs/dbraw/zinc/39/96/21/1027399621.db2.gz QJFVCUUPQFWIRQ-FYKMYLNBSA-N 3 1 341.543 3.502 20 0 EHADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000453131775 1027435352 /nfs/dbraw/zinc/43/53/52/1027435352.db2.gz TUOBLLBJRUVHEA-VDGAXYAQSA-N 2 1 344.524 3.590 20 0 EHADMP Cc1cc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000453131775 1027435362 /nfs/dbraw/zinc/43/53/62/1027435362.db2.gz TUOBLLBJRUVHEA-VDGAXYAQSA-N 2 1 344.524 3.590 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCCCC1 ZINC000544385572 1027449232 /nfs/dbraw/zinc/44/92/32/1027449232.db2.gz HOMWBAWOAQFUBT-DYESRHJHSA-N 2 1 330.516 3.702 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000420318737 1027465913 /nfs/dbraw/zinc/46/59/13/1027465913.db2.gz OPCZBJRNHOBCLC-CZUORRHYSA-N 2 1 333.501 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000453171122 1027491088 /nfs/dbraw/zinc/49/10/88/1027491088.db2.gz VPVXLABPAJNWTL-GHRYLNIYSA-N 2 1 328.500 3.587 20 0 EHADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000420368258 1027494847 /nfs/dbraw/zinc/49/48/47/1027494847.db2.gz NLLJVKSJZVFTGK-FQEVSTJZSA-N 2 1 339.483 3.666 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420405568 1027524629 /nfs/dbraw/zinc/52/46/29/1027524629.db2.gz TXHXHDIRTIDHJE-ICSRJNTNSA-N 2 1 328.500 3.778 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC1CC([NH+]2CCCCC2)C1 ZINC000475553898 1027601581 /nfs/dbraw/zinc/60/15/81/1027601581.db2.gz PWWSFDJNRQXMGX-UHFFFAOYSA-N 2 1 343.559 3.751 20 0 EHADMP c1csc(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000582759595 1027619735 /nfs/dbraw/zinc/61/97/35/1027619735.db2.gz OLHFILIICMYXLM-UHFFFAOYSA-N 2 1 328.525 3.977 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c(C)s1 ZINC001279595593 1027626164 /nfs/dbraw/zinc/62/61/64/1027626164.db2.gz UEGWOZGFVFSGGX-HXUWFJFHSA-N 2 1 349.588 3.605 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccccc1OC(F)(F)F)C[NH+]1CCCCC1 ZINC000320946611 1027629795 /nfs/dbraw/zinc/62/97/95/1027629795.db2.gz HHCBMYSQZIDKOK-AWEZNQCLSA-N 2 1 330.394 3.797 20 0 EHADMP Fc1ccc(CN2CCC(n3ccnc3)CC2)cc1OC(F)(F)F ZINC001143447373 1027670395 /nfs/dbraw/zinc/67/03/95/1027670395.db2.gz UOXNDDYCQZBUKV-UHFFFAOYSA-N 2 1 343.324 3.758 20 0 EHADMP [NH3+]C1CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000414652186 1027707117 /nfs/dbraw/zinc/70/71/17/1027707117.db2.gz GKDXSLVWFLOJEB-UHFFFAOYSA-N 2 1 330.859 3.842 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000414659337 1027732756 /nfs/dbraw/zinc/73/27/56/1027732756.db2.gz LCOORZODZWUMCQ-SJORKVTESA-N 2 1 340.515 3.647 20 0 EHADMP Clc1ccccc1CN1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000119666348 1027761962 /nfs/dbraw/zinc/76/19/62/1027761962.db2.gz DCPZIKXTGSRVHP-UHFFFAOYSA-N 2 1 347.934 3.521 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614742 1027802331 /nfs/dbraw/zinc/80/23/31/1027802331.db2.gz HGIHSMXSMUIMLQ-INIZCTEOSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614742 1027802353 /nfs/dbraw/zinc/80/23/53/1027802353.db2.gz HGIHSMXSMUIMLQ-INIZCTEOSA-N 2 1 333.863 3.778 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000459352223 1027818725 /nfs/dbraw/zinc/81/87/25/1027818725.db2.gz HFMWJJAMRFIZAC-HRTMPFAESA-N 2 1 342.527 3.931 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000459352223 1027818743 /nfs/dbraw/zinc/81/87/43/1027818743.db2.gz HFMWJJAMRFIZAC-HRTMPFAESA-N 2 1 342.527 3.931 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000459352223 1027818761 /nfs/dbraw/zinc/81/87/61/1027818761.db2.gz HFMWJJAMRFIZAC-HRTMPFAESA-N 2 1 342.527 3.931 20 0 EHADMP CC[N@H+](CCc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901875 1027841066 /nfs/dbraw/zinc/84/10/66/1027841066.db2.gz LGWALJVQMISZGI-UHFFFAOYSA-N 2 1 344.524 3.645 20 0 EHADMP CC[N@@H+](CCc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901875 1027841084 /nfs/dbraw/zinc/84/10/84/1027841084.db2.gz LGWALJVQMISZGI-UHFFFAOYSA-N 2 1 344.524 3.645 20 0 EHADMP CCC[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000503558958 1027892979 /nfs/dbraw/zinc/89/29/79/1027892979.db2.gz ZMQCMETZIAWTKN-UHFFFAOYSA-N 2 1 348.288 3.706 20 0 EHADMP C[C@H]1C[C@H](C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414687977 1027921623 /nfs/dbraw/zinc/92/16/23/1027921623.db2.gz CJCDVLJWSLUIHR-PKOBYXMFSA-N 2 1 341.474 3.654 20 0 EHADMP Cc1cnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000428366544 1027929644 /nfs/dbraw/zinc/92/96/44/1027929644.db2.gz YKHYDPSVLPJRRW-ZWKOTPCHSA-N 2 1 330.520 3.823 20 0 EHADMP COc1ccc(CC[N@@H+](CC(C)C)C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414691279 1027939324 /nfs/dbraw/zinc/93/93/24/1027939324.db2.gz BEFPRIUOGISEJU-MJGOQNOKSA-N 2 1 348.531 3.592 20 0 EHADMP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)c1c[nH+]ccc1N ZINC000422761440 1027942123 /nfs/dbraw/zinc/94/21/23/1027942123.db2.gz MNZCSTHCRRSEFG-AWEZNQCLSA-N 2 1 345.874 3.547 20 0 EHADMP CN(C)c1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000422804934 1027955211 /nfs/dbraw/zinc/95/52/11/1027955211.db2.gz ILVKICRFKJOCLE-AZUAARDMSA-N 2 1 332.451 3.535 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422804363 1027957257 /nfs/dbraw/zinc/95/72/57/1027957257.db2.gz HMYPEMPSIJZWCI-VPWXQRGCSA-N 2 1 325.456 3.621 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnccc1N ZINC000422852757 1027990982 /nfs/dbraw/zinc/99/09/82/1027990982.db2.gz BGAZLVDGNKPRDQ-IRXDYDNUSA-N 2 1 338.499 3.577 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnccc1N ZINC000422858743 1027994988 /nfs/dbraw/zinc/99/49/88/1027994988.db2.gz JCRQCIPQTFWMHA-IAGOWNOFSA-N 2 1 338.499 3.719 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862048 1027996779 /nfs/dbraw/zinc/99/67/79/1027996779.db2.gz NHFDURAHNAEREB-NCXUSEDFSA-N 2 1 335.561 3.641 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422865855 1028000066 /nfs/dbraw/zinc/00/00/66/1028000066.db2.gz POQNEEIIBDXUOI-HUUCEWRRSA-N 3 1 349.482 3.755 20 0 EHADMP C[C@@]1(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1(F)F ZINC000657671721 1028002388 /nfs/dbraw/zinc/00/23/88/1028002388.db2.gz YERQVAWMSUEIFP-GOSISDBHSA-N 2 1 340.433 3.858 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)s2)cs1 ZINC000459368945 1028050084 /nfs/dbraw/zinc/05/00/84/1028050084.db2.gz DXKBQOGIXHFGED-UHFFFAOYSA-N 2 1 347.553 3.939 20 0 EHADMP CC(C)OC(=O)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000444607324 1028070205 /nfs/dbraw/zinc/07/02/05/1028070205.db2.gz ILXOQEMNYZKWJP-LJQANCHMSA-N 2 1 332.488 3.535 20 0 EHADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444609902 1028074938 /nfs/dbraw/zinc/07/49/38/1028074938.db2.gz NODQCXXPYKHVSH-MRXNPFEDSA-N 2 1 344.524 3.692 20 0 EHADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444609902 1028074957 /nfs/dbraw/zinc/07/49/57/1028074957.db2.gz NODQCXXPYKHVSH-MRXNPFEDSA-N 2 1 344.524 3.692 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422997522 1028113134 /nfs/dbraw/zinc/11/31/34/1028113134.db2.gz ODQLPCVBHOBYSC-HBMCJLEFSA-N 2 1 329.532 3.580 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C3)cs1 ZINC000414711774 1028126671 /nfs/dbraw/zinc/12/66/71/1028126671.db2.gz MZBWBBALZUEGTE-JSGCOSHPSA-N 2 1 347.553 3.926 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C3)cs1 ZINC000414711773 1028128074 /nfs/dbraw/zinc/12/80/74/1028128074.db2.gz MZBWBBALZUEGTE-GXTWGEPZSA-N 2 1 347.553 3.926 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000423097835 1028179869 /nfs/dbraw/zinc/17/98/69/1028179869.db2.gz BNOLXCFHFPRAND-SQNIBIBYSA-N 2 1 326.440 3.889 20 0 EHADMP C[C@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000423100143 1028183231 /nfs/dbraw/zinc/18/32/31/1028183231.db2.gz GHQHUQJAZFBZCG-ORAYPTAESA-N 2 1 345.874 3.966 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccsc1Br ZINC000423115634 1028188716 /nfs/dbraw/zinc/18/87/16/1028188716.db2.gz NXPDJALGFQMDFL-SECBINFHSA-N 2 1 340.290 3.524 20 0 EHADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423119810 1028189751 /nfs/dbraw/zinc/18/97/51/1028189751.db2.gz FLBVDRKXDBQAHK-IPMKNSEASA-N 2 1 345.531 3.907 20 0 EHADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181851 1028251291 /nfs/dbraw/zinc/25/12/91/1028251291.db2.gz DEEHPEAAHDYZOY-SFHVURJKSA-N 2 1 345.874 3.718 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191293 1028261681 /nfs/dbraw/zinc/26/16/81/1028261681.db2.gz SROHXLXJWOZDNR-QRWLVFNGSA-N 2 1 327.447 3.614 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423289565 1028328348 /nfs/dbraw/zinc/32/83/48/1028328348.db2.gz XPKZSSVSIGAFDB-NOZJJQNGSA-N 2 1 329.307 3.559 20 0 EHADMP C[C@@H](C[NH3+])CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423306874 1028344523 /nfs/dbraw/zinc/34/45/23/1028344523.db2.gz MGLMNARTARGTOO-FXAWDEMLSA-N 2 1 335.511 3.563 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423298137 1028354915 /nfs/dbraw/zinc/35/49/15/1028354915.db2.gz NHJFUQNXNGUYHG-YJBOKZPZSA-N 2 1 334.508 3.728 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423333679 1028370283 /nfs/dbraw/zinc/37/02/83/1028370283.db2.gz QFBWZYKNZWQQNZ-BZNIZROVSA-N 2 1 332.822 3.982 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423339861 1028375707 /nfs/dbraw/zinc/37/57/07/1028375707.db2.gz ZUCAHHCNNZQGPP-ZDBHGNHJSA-N 2 1 341.318 3.559 20 0 EHADMP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423373390 1028378541 /nfs/dbraw/zinc/37/85/41/1028378541.db2.gz BSPSAYDXCUWVEZ-PLACYPQZSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc2ccc(Cl)cc2n1C ZINC000423382900 1028400198 /nfs/dbraw/zinc/40/01/98/1028400198.db2.gz KANGSQYYMNPREK-GFCCVEGCSA-N 2 1 340.858 3.681 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423418089 1028430313 /nfs/dbraw/zinc/43/03/13/1028430313.db2.gz GOONAJYIBQUQFC-SZMVWBNQSA-N 3 1 326.488 3.596 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CN)C2CCCC2)CC1 ZINC000423495337 1028481679 /nfs/dbraw/zinc/48/16/79/1028481679.db2.gz BTNVUSGLMVTUJH-XVAXZDLZSA-N 2 1 329.532 3.537 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000423495337 1028481682 /nfs/dbraw/zinc/48/16/82/1028481682.db2.gz BTNVUSGLMVTUJH-XVAXZDLZSA-N 3 1 329.532 3.537 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000423495337 1028481686 /nfs/dbraw/zinc/48/16/86/1028481686.db2.gz BTNVUSGLMVTUJH-XVAXZDLZSA-N 3 1 329.532 3.537 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000237720177 1028661732 /nfs/dbraw/zinc/66/17/32/1028661732.db2.gz WBSCEXJBSBIAHX-UHFFFAOYSA-N 2 1 346.906 3.718 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC000153727948 1028664897 /nfs/dbraw/zinc/66/48/97/1028664897.db2.gz XTFZHLRJVOTFKE-QGZVFWFLSA-N 2 1 331.435 3.756 20 0 EHADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414765439 1028677605 /nfs/dbraw/zinc/67/76/05/1028677605.db2.gz FZQJAOHLJKIDRV-BGYRXZFFSA-N 2 1 336.479 3.697 20 0 EHADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OCC ZINC000246900682 1028710829 /nfs/dbraw/zinc/71/08/29/1028710829.db2.gz RKTHSQCKILWUEF-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCC ZINC000246900682 1028710841 /nfs/dbraw/zinc/71/08/41/1028710841.db2.gz RKTHSQCKILWUEF-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCC ZINC000246900682 1028710858 /nfs/dbraw/zinc/71/08/58/1028710858.db2.gz RKTHSQCKILWUEF-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cc1 ZINC000247242940 1028762232 /nfs/dbraw/zinc/76/22/32/1028762232.db2.gz ZCCLQAPLSFEVLR-SJORKVTESA-N 2 1 326.488 3.563 20 0 EHADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000247234713 1028763499 /nfs/dbraw/zinc/76/34/99/1028763499.db2.gz WNBHYXLOOFVDJX-HKUYNNGSSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000247234713 1028763514 /nfs/dbraw/zinc/76/35/14/1028763514.db2.gz WNBHYXLOOFVDJX-HKUYNNGSSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000247234713 1028763528 /nfs/dbraw/zinc/76/35/28/1028763528.db2.gz WNBHYXLOOFVDJX-HKUYNNGSSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000247234713 1028763540 /nfs/dbraw/zinc/76/35/40/1028763540.db2.gz WNBHYXLOOFVDJX-HKUYNNGSSA-N 2 1 344.499 3.543 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)s2)c1 ZINC000414775754 1028834629 /nfs/dbraw/zinc/83/46/29/1028834629.db2.gz GQOXALJODOSSEF-ZIAGYGMSSA-N 2 1 333.526 3.693 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000424150484 1028836718 /nfs/dbraw/zinc/83/67/18/1028836718.db2.gz ZCXUVNSVDDBWJX-CRAIPNDOSA-N 2 1 332.517 3.698 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000424150484 1028836733 /nfs/dbraw/zinc/83/67/33/1028836733.db2.gz ZCXUVNSVDDBWJX-CRAIPNDOSA-N 2 1 332.517 3.698 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567809 1028856290 /nfs/dbraw/zinc/85/62/90/1028856290.db2.gz UWONLHHUZYNXHY-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567809 1028856316 /nfs/dbraw/zinc/85/63/16/1028856316.db2.gz UWONLHHUZYNXHY-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567809 1028856334 /nfs/dbraw/zinc/85/63/34/1028856334.db2.gz UWONLHHUZYNXHY-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567809 1028856342 /nfs/dbraw/zinc/85/63/42/1028856342.db2.gz UWONLHHUZYNXHY-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)sc2C1 ZINC000424211439 1028871231 /nfs/dbraw/zinc/87/12/31/1028871231.db2.gz XTTQDWBXQAIKAT-JKSUJKDBSA-N 2 1 333.545 3.968 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)sc2C1 ZINC000424211439 1028871252 /nfs/dbraw/zinc/87/12/52/1028871252.db2.gz XTTQDWBXQAIKAT-JKSUJKDBSA-N 2 1 333.545 3.968 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123328989 1028883624 /nfs/dbraw/zinc/88/36/24/1028883624.db2.gz YIEQXGFQVLSSHE-SJLPKXTDSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123328989 1028883641 /nfs/dbraw/zinc/88/36/41/1028883641.db2.gz YIEQXGFQVLSSHE-SJLPKXTDSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123328989 1028883655 /nfs/dbraw/zinc/88/36/55/1028883655.db2.gz YIEQXGFQVLSSHE-SJLPKXTDSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123328989 1028883670 /nfs/dbraw/zinc/88/36/70/1028883670.db2.gz YIEQXGFQVLSSHE-SJLPKXTDSA-N 2 1 339.483 3.583 20 0 EHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592223 1028898735 /nfs/dbraw/zinc/89/87/35/1028898735.db2.gz GNVUUKCKMSJLSC-PZJWPPBQSA-N 2 1 346.515 3.551 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592223 1028898746 /nfs/dbraw/zinc/89/87/46/1028898746.db2.gz GNVUUKCKMSJLSC-PZJWPPBQSA-N 2 1 346.515 3.551 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592223 1028898754 /nfs/dbraw/zinc/89/87/54/1028898754.db2.gz GNVUUKCKMSJLSC-PZJWPPBQSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592223 1028898761 /nfs/dbraw/zinc/89/87/61/1028898761.db2.gz GNVUUKCKMSJLSC-PZJWPPBQSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592223 1028898770 /nfs/dbraw/zinc/89/87/70/1028898770.db2.gz GNVUUKCKMSJLSC-PZJWPPBQSA-N 2 1 346.515 3.551 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248451490 1028907221 /nfs/dbraw/zinc/90/72/21/1028907221.db2.gz PMQISOSHYZMVMH-NQIIRXRSSA-N 2 1 338.495 3.803 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)cc(C[NH3+])c2)cc1)C1CC1 ZINC000424239938 1028925258 /nfs/dbraw/zinc/92/52/58/1028925258.db2.gz MQLOKEHOAOZSRM-UHFFFAOYSA-N 2 1 337.467 3.690 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3cccs3)n1)CC[NH2+]CC2 ZINC000424287540 1028927901 /nfs/dbraw/zinc/92/79/01/1028927901.db2.gz IYMNFOXTHPLCLB-ZDUSSCGKSA-N 2 1 333.526 3.836 20 0 EHADMP Cc1csc([C@H]2CCCC[N@@H+]2C[C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302263 1028940132 /nfs/dbraw/zinc/94/01/32/1028940132.db2.gz LXOIOACPZNYMAY-NVXWUHKLSA-N 2 1 333.476 3.860 20 0 EHADMP Cc1csc([C@H]2CCCC[N@H+]2C[C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302263 1028940146 /nfs/dbraw/zinc/94/01/46/1028940146.db2.gz LXOIOACPZNYMAY-NVXWUHKLSA-N 2 1 333.476 3.860 20 0 EHADMP c1sc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781043 1028943762 /nfs/dbraw/zinc/94/37/62/1028943762.db2.gz MJQKNWWUKGIDSH-SJORKVTESA-N 2 1 327.497 3.632 20 0 EHADMP Cc1csc([C@@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277287 1028950262 /nfs/dbraw/zinc/95/02/62/1028950262.db2.gz BYNPEIAFUIXEQW-CVEARBPZSA-N 2 1 333.476 3.513 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245645315 1028969970 /nfs/dbraw/zinc/96/99/70/1028969970.db2.gz BJYTWNMOWYLVBY-ACDBMABISA-N 2 1 330.516 3.570 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424328248 1028976486 /nfs/dbraw/zinc/97/64/86/1028976486.db2.gz ZNVZVLFWGJWGEU-QAPCUYQASA-N 2 1 340.496 3.858 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245664124 1028985766 /nfs/dbraw/zinc/98/57/66/1028985766.db2.gz GGFOOMFZWQEWNR-KOUNCHBCSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245664124 1028985786 /nfs/dbraw/zinc/98/57/86/1028985786.db2.gz GGFOOMFZWQEWNR-KOUNCHBCSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424380611 1029035735 /nfs/dbraw/zinc/03/57/35/1029035735.db2.gz QBIXYGGPGQVEKQ-CQSZACIVSA-N 2 1 344.890 3.694 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccccc3)cs1)CC[NH2+]CC2 ZINC000424379380 1029036028 /nfs/dbraw/zinc/03/60/28/1029036028.db2.gz OOLJCEAESKFUOF-OAHLLOKOSA-N 2 1 327.497 3.774 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000637905279 1029121026 /nfs/dbraw/zinc/12/10/26/1029121026.db2.gz KKWSTZHHWYCZTP-UHFFFAOYSA-N 2 1 325.447 3.963 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc(Cl)c1OC ZINC000245720407 1029133084 /nfs/dbraw/zinc/13/30/84/1029133084.db2.gz HVQYTZGFWRWVKJ-ZFWWWQNUSA-N 2 1 340.895 3.662 20 0 EHADMP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744463 1029228621 /nfs/dbraw/zinc/22/86/21/1029228621.db2.gz SGHKFTQKYUWOCH-PSWRPDDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744463 1029228639 /nfs/dbraw/zinc/22/86/39/1029228639.db2.gz SGHKFTQKYUWOCH-PSWRPDDJSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744463 1029228654 /nfs/dbraw/zinc/22/86/54/1029228654.db2.gz SGHKFTQKYUWOCH-PSWRPDDJSA-N 3 1 341.543 3.504 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000282052680 1029240510 /nfs/dbraw/zinc/24/05/10/1029240510.db2.gz GLYGFGJETCGFNH-VMXMFDLUSA-N 2 1 330.516 3.692 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000282052680 1029240523 /nfs/dbraw/zinc/24/05/23/1029240523.db2.gz GLYGFGJETCGFNH-VMXMFDLUSA-N 2 1 330.516 3.692 20 0 EHADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCC(C)C ZINC000508550811 1029305898 /nfs/dbraw/zinc/30/58/98/1029305898.db2.gz IDRUGRKGPFWEDT-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCC(C)C ZINC000508550811 1029305906 /nfs/dbraw/zinc/30/59/06/1029305906.db2.gz IDRUGRKGPFWEDT-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCC(C)C ZINC000508550811 1029305920 /nfs/dbraw/zinc/30/59/20/1029305920.db2.gz IDRUGRKGPFWEDT-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCC(C)C ZINC000508550811 1029305927 /nfs/dbraw/zinc/30/59/27/1029305927.db2.gz IDRUGRKGPFWEDT-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP COc1ccsc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272139503 1029328072 /nfs/dbraw/zinc/32/80/72/1029328072.db2.gz AZOLMPYKHIAEFE-RDJZCZTQSA-N 2 1 330.497 3.757 20 0 EHADMP COc1ccsc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272139503 1029328079 /nfs/dbraw/zinc/32/80/79/1029328079.db2.gz AZOLMPYKHIAEFE-RDJZCZTQSA-N 2 1 330.497 3.757 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648792 1029549272 /nfs/dbraw/zinc/54/92/72/1029549272.db2.gz JSHVXVNUFFRPMS-UGKGYDQZSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272648792 1029549278 /nfs/dbraw/zinc/54/92/78/1029549278.db2.gz JSHVXVNUFFRPMS-UGKGYDQZSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272694667 1029569696 /nfs/dbraw/zinc/56/96/96/1029569696.db2.gz WTQDFOHVUNATIV-VQIMIIECSA-N 2 1 343.902 3.778 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000513901032 1029570460 /nfs/dbraw/zinc/57/04/60/1029570460.db2.gz KWWSMSYZTUPBRC-SOLBZPMBSA-N 2 1 344.490 3.633 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000272708458 1029575604 /nfs/dbraw/zinc/57/56/04/1029575604.db2.gz AGLIMQYSGWORNV-UHFFFAOYSA-N 2 1 341.499 3.735 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750984 1029639258 /nfs/dbraw/zinc/63/92/58/1029639258.db2.gz MITGGRVNMSBOLA-LBKOFNPBSA-N 2 1 334.891 3.586 20 0 EHADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000459391548 1029642774 /nfs/dbraw/zinc/64/27/74/1029642774.db2.gz REUJPJQMBZVGEV-UHFFFAOYSA-N 2 1 335.451 3.965 20 0 EHADMP C[C@H](NCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691373 1029737902 /nfs/dbraw/zinc/73/79/02/1029737902.db2.gz MTEUMWFWIWNMTF-UNMCSNQZSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508691373 1029737909 /nfs/dbraw/zinc/73/79/09/1029737909.db2.gz MTEUMWFWIWNMTF-UNMCSNQZSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691373 1029737918 /nfs/dbraw/zinc/73/79/18/1029737918.db2.gz MTEUMWFWIWNMTF-UNMCSNQZSA-N 3 1 343.559 3.609 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000508709425 1029770536 /nfs/dbraw/zinc/77/05/36/1029770536.db2.gz LDFWBKKEQZGJOW-CWDSQJGSSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000508709425 1029770543 /nfs/dbraw/zinc/77/05/43/1029770543.db2.gz LDFWBKKEQZGJOW-CWDSQJGSSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000508709427 1029771201 /nfs/dbraw/zinc/77/12/01/1029771201.db2.gz LDFWBKKEQZGJOW-LJLZWOEMSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000508709427 1029771203 /nfs/dbraw/zinc/77/12/03/1029771203.db2.gz LDFWBKKEQZGJOW-LJLZWOEMSA-N 2 1 328.500 3.654 20 0 EHADMP CC(C)[NH+](CCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709004 1029776010 /nfs/dbraw/zinc/77/60/10/1029776010.db2.gz FRKBMEPZVSOEPP-IFMALSPDSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000508709004 1029776017 /nfs/dbraw/zinc/77/60/17/1029776017.db2.gz FRKBMEPZVSOEPP-IFMALSPDSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709004 1029776025 /nfs/dbraw/zinc/77/60/25/1029776025.db2.gz FRKBMEPZVSOEPP-IFMALSPDSA-N 3 1 345.575 3.996 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000459391048 1029776724 /nfs/dbraw/zinc/77/67/24/1029776724.db2.gz UMPRVUNXYNHQDJ-OAQYLSRUSA-N 2 1 335.451 3.510 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716224 1029797745 /nfs/dbraw/zinc/79/77/45/1029797745.db2.gz KJUGZDBCOUBZET-SBHAEUEKSA-N 2 1 338.495 3.954 20 0 EHADMP c1ccc([C@H]2CCN2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000509643799 1029960792 /nfs/dbraw/zinc/96/07/92/1029960792.db2.gz PCSDGLCMCDEDAH-JOCHJYFZSA-N 2 1 335.495 3.646 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)[C@@H]3CCC[C@H]32)cc1 ZINC000453236728 1029961269 /nfs/dbraw/zinc/96/12/69/1029961269.db2.gz YVWLEVZGAIYFRG-RACICXKXSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453278946 1030020556 /nfs/dbraw/zinc/02/05/56/1030020556.db2.gz DILFQCHBTCXTND-CWJKEVGVSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1ccc(F)cc1 ZINC000453338377 1030121265 /nfs/dbraw/zinc/12/12/65/1030121265.db2.gz FWWXPEKVLWLPRE-HMZLUNFSSA-N 2 1 342.462 3.596 20 0 EHADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1ccc(F)cc1 ZINC000453338377 1030121271 /nfs/dbraw/zinc/12/12/71/1030121271.db2.gz FWWXPEKVLWLPRE-HMZLUNFSSA-N 2 1 342.462 3.596 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000650716088 1030123337 /nfs/dbraw/zinc/12/33/37/1030123337.db2.gz RMFWRWKHKHRINW-JRGCBEDISA-N 2 1 335.495 3.666 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000650716088 1030123344 /nfs/dbraw/zinc/12/33/44/1030123344.db2.gz RMFWRWKHKHRINW-JRGCBEDISA-N 2 1 335.495 3.666 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(Br)cc2Cl)[C@H](C)C1 ZINC000531954753 1030128440 /nfs/dbraw/zinc/12/84/40/1030128440.db2.gz ZHDTUEVLQZMDAY-IAQYHMDHSA-N 2 1 345.712 3.922 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453350340 1030141543 /nfs/dbraw/zinc/14/15/43/1030141543.db2.gz GVUXQGCBGYLIBK-NRSPTQNISA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000453350340 1030141548 /nfs/dbraw/zinc/14/15/48/1030141548.db2.gz GVUXQGCBGYLIBK-NRSPTQNISA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350340 1030141553 /nfs/dbraw/zinc/14/15/53/1030141553.db2.gz GVUXQGCBGYLIBK-NRSPTQNISA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350340 1030141564 /nfs/dbraw/zinc/14/15/64/1030141564.db2.gz GVUXQGCBGYLIBK-NRSPTQNISA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453357709 1030151503 /nfs/dbraw/zinc/15/15/03/1030151503.db2.gz LJIZIMZEWHFZCY-XLIONFOSSA-N 2 1 348.556 3.907 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000650719289 1030178481 /nfs/dbraw/zinc/17/84/81/1030178481.db2.gz KNOPNQOYHXMJDL-UTKZUKDTSA-N 3 1 329.532 3.539 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000453372486 1030190180 /nfs/dbraw/zinc/19/01/80/1030190180.db2.gz GKNAVFQEXQBPDM-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1cccc(Cl)c1 ZINC000650723768 1030213677 /nfs/dbraw/zinc/21/36/77/1030213677.db2.gz TVTKGTHQVROTGN-UTRMSSBJSA-N 2 1 336.907 3.804 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000482159267 1030235596 /nfs/dbraw/zinc/23/55/96/1030235596.db2.gz VFSFBBGMBZHGJO-AZUAARDMSA-N 2 1 345.531 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453392262 1030238758 /nfs/dbraw/zinc/23/87/58/1030238758.db2.gz YPSJOXXGQGGBTO-CZYKHXBRSA-N 2 1 342.527 3.836 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636179 1030256192 /nfs/dbraw/zinc/25/61/92/1030256192.db2.gz QCSLPJGBHUPBCZ-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636179 1030256202 /nfs/dbraw/zinc/25/62/02/1030256202.db2.gz QCSLPJGBHUPBCZ-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636179 1030256215 /nfs/dbraw/zinc/25/62/15/1030256215.db2.gz QCSLPJGBHUPBCZ-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636179 1030256229 /nfs/dbraw/zinc/25/62/29/1030256229.db2.gz QCSLPJGBHUPBCZ-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447562613 1030305485 /nfs/dbraw/zinc/30/54/85/1030305485.db2.gz MODZUXOTFQMDPO-OSTWSGHESA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000482360588 1030349150 /nfs/dbraw/zinc/34/91/50/1030349150.db2.gz TVXPLCDVPXALRV-JOCHJYFZSA-N 2 1 345.575 3.507 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000246238269 1030415337 /nfs/dbraw/zinc/41/53/37/1030415337.db2.gz IKTDFGIJGGGGAI-MGPUTAFESA-N 2 1 337.467 3.687 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000246238269 1030415346 /nfs/dbraw/zinc/41/53/46/1030415346.db2.gz IKTDFGIJGGGGAI-MGPUTAFESA-N 2 1 337.467 3.687 20 0 EHADMP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253738 1030417350 /nfs/dbraw/zinc/41/73/50/1030417350.db2.gz QZQXHARXNOQFCF-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253738 1030417357 /nfs/dbraw/zinc/41/73/57/1030417357.db2.gz QZQXHARXNOQFCF-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253738 1030417365 /nfs/dbraw/zinc/41/73/65/1030417365.db2.gz QZQXHARXNOQFCF-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253738 1030417372 /nfs/dbraw/zinc/41/73/72/1030417372.db2.gz QZQXHARXNOQFCF-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253737 1030419486 /nfs/dbraw/zinc/41/94/86/1030419486.db2.gz QZQXHARXNOQFCF-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253737 1030419498 /nfs/dbraw/zinc/41/94/98/1030419498.db2.gz QZQXHARXNOQFCF-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253737 1030419504 /nfs/dbraw/zinc/41/95/04/1030419504.db2.gz QZQXHARXNOQFCF-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253737 1030419510 /nfs/dbraw/zinc/41/95/10/1030419510.db2.gz QZQXHARXNOQFCF-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000532193258 1030468396 /nfs/dbraw/zinc/46/83/96/1030468396.db2.gz ZGFILASENDKSOD-PKOBYXMFSA-N 2 1 348.531 3.940 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000532193258 1030468399 /nfs/dbraw/zinc/46/83/99/1030468399.db2.gz ZGFILASENDKSOD-PKOBYXMFSA-N 2 1 348.531 3.940 20 0 EHADMP Cc1ccn2cc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)nc2c1 ZINC000482494226 1030478337 /nfs/dbraw/zinc/47/83/37/1030478337.db2.gz CPEXHCITEMHTIS-GHTZIAJQSA-N 2 1 348.494 3.643 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482507856 1030487013 /nfs/dbraw/zinc/48/70/13/1030487013.db2.gz RIXRHFOJQHDXBQ-UGKGYDQZSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482507856 1030487020 /nfs/dbraw/zinc/48/70/20/1030487020.db2.gz RIXRHFOJQHDXBQ-UGKGYDQZSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000482629345 1030594725 /nfs/dbraw/zinc/59/47/25/1030594725.db2.gz MMYCLLPLEPVUQS-CBQOVEMMSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482629345 1030594736 /nfs/dbraw/zinc/59/47/36/1030594736.db2.gz MMYCLLPLEPVUQS-CBQOVEMMSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000482629345 1030594741 /nfs/dbraw/zinc/59/47/41/1030594741.db2.gz MMYCLLPLEPVUQS-CBQOVEMMSA-N 2 1 341.543 3.504 20 0 EHADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563794 1030628178 /nfs/dbraw/zinc/62/81/78/1030628178.db2.gz PZISEXGHMKGOBH-MRXNPFEDSA-N 2 1 330.501 3.589 20 0 EHADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563794 1030628192 /nfs/dbraw/zinc/62/81/92/1030628192.db2.gz PZISEXGHMKGOBH-MRXNPFEDSA-N 2 1 330.501 3.589 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457636 1030643696 /nfs/dbraw/zinc/64/36/96/1030643696.db2.gz RNHBTBSJCVIAFM-LIRRHRJNSA-N 2 1 341.886 3.912 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000093792622 1030678438 /nfs/dbraw/zinc/67/84/38/1030678438.db2.gz BCXZNJHQJJLJFS-OAQYLSRUSA-N 2 1 346.515 3.551 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000093792622 1030678449 /nfs/dbraw/zinc/67/84/49/1030678449.db2.gz BCXZNJHQJJLJFS-OAQYLSRUSA-N 2 1 346.515 3.551 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000583776127 1030703613 /nfs/dbraw/zinc/70/36/13/1030703613.db2.gz QYNWENUSGLVBII-ZVDOUQERSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000583776127 1030703620 /nfs/dbraw/zinc/70/36/20/1030703620.db2.gz QYNWENUSGLVBII-ZVDOUQERSA-N 2 1 331.548 3.750 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@H]2CCC[C@H]21 ZINC000550859919 1030748144 /nfs/dbraw/zinc/74/81/44/1030748144.db2.gz DPAKIPCCPQYMAJ-VNQPRFMTSA-N 2 1 341.268 3.551 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000550930487 1030815418 /nfs/dbraw/zinc/81/54/18/1030815418.db2.gz HMHXUVOEDBHKFO-SMDDNHRTSA-N 2 1 345.712 3.717 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1)CC(C)C ZINC000668168012 1030824251 /nfs/dbraw/zinc/82/42/51/1030824251.db2.gz KFOUCOGVQQAATC-UHFFFAOYSA-N 2 1 347.551 3.583 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1)CC(C)C ZINC000668168012 1030824275 /nfs/dbraw/zinc/82/42/75/1030824275.db2.gz KFOUCOGVQQAATC-UHFFFAOYSA-N 2 1 347.551 3.583 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945574 1030843230 /nfs/dbraw/zinc/84/32/30/1030843230.db2.gz HREYTWQPROPRNV-AZUAARDMSA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945574 1030843254 /nfs/dbraw/zinc/84/32/54/1030843254.db2.gz HREYTWQPROPRNV-AZUAARDMSA-N 2 1 347.547 3.542 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(Br)c(F)c2F)[C@H](C)C1 ZINC000527665604 1031090314 /nfs/dbraw/zinc/09/03/14/1031090314.db2.gz GRYJCGCPZGPYIM-MFKMUULPSA-N 2 1 347.247 3.547 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccncc3)CC2)cs1 ZINC000174077048 1031163725 /nfs/dbraw/zinc/16/37/25/1031163725.db2.gz MJBKCZUCOSGOIZ-HNNXBMFYSA-N 2 1 344.528 3.663 20 0 EHADMP C[N@@H+](C[C@H]1CC=CCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551394685 1031293895 /nfs/dbraw/zinc/29/38/95/1031293895.db2.gz MNPSTNPWZNVFBK-FPOVZHCZSA-N 2 1 328.500 3.566 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549343 1031336009 /nfs/dbraw/zinc/33/60/09/1031336009.db2.gz VQBAGFMWIMTFEO-ORYQWCPZSA-N 2 1 342.458 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC/C=C/c2ccc(Br)cc2)CC[N@H+]1C ZINC000527928716 1031431209 /nfs/dbraw/zinc/43/12/09/1031431209.db2.gz GTUYPOMAUJTQNZ-CFSAACEMSA-N 2 1 337.305 3.925 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H]3CCc4c3cccc4F)CC2)[nH+]c1 ZINC000484125549 1031458067 /nfs/dbraw/zinc/45/80/67/1031458067.db2.gz BPFOUOHWYQEYPH-IBGZPJMESA-N 2 1 325.431 3.775 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000343581245 1031490351 /nfs/dbraw/zinc/49/03/51/1031490351.db2.gz WSIXMDLBDOTZEG-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000343581245 1031490363 /nfs/dbraw/zinc/49/03/63/1031490363.db2.gz WSIXMDLBDOTZEG-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000343581245 1031490369 /nfs/dbraw/zinc/49/03/69/1031490369.db2.gz WSIXMDLBDOTZEG-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000484309328 1031527470 /nfs/dbraw/zinc/52/74/70/1031527470.db2.gz OMJRWLUIIDNYJH-FPOVZHCZSA-N 2 1 344.543 3.820 20 0 EHADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000527989172 1031549323 /nfs/dbraw/zinc/54/93/23/1031549323.db2.gz XGEYSBDSJKZDGG-BHDDXSALSA-N 2 1 335.495 3.923 20 0 EHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000527992499 1031550815 /nfs/dbraw/zinc/55/08/15/1031550815.db2.gz NUKRIKXATUWYHV-HKUYNNGSSA-N 2 1 334.891 3.560 20 0 EHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000657823309 1031595490 /nfs/dbraw/zinc/59/54/90/1031595490.db2.gz KSCNANVKXADNJH-LLVKDONJSA-N 2 1 334.813 3.974 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2sc(C)nc2C)[C@H](C)C1 ZINC000178438215 1031664592 /nfs/dbraw/zinc/66/45/92/1031664592.db2.gz MPJVWNWGSZEDMP-KMFMINBZSA-N 2 1 339.549 3.548 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000179248714 1031759570 /nfs/dbraw/zinc/75/95/70/1031759570.db2.gz HPMLWMWHKUWNST-UHFFFAOYSA-N 2 1 341.499 3.695 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918911 1032001572 /nfs/dbraw/zinc/00/15/72/1032001572.db2.gz VVMVUIOQULACIC-UTKZUKDTSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918911 1032001583 /nfs/dbraw/zinc/00/15/83/1032001583.db2.gz VVMVUIOQULACIC-UTKZUKDTSA-N 2 1 342.458 3.705 20 0 EHADMP CCOc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC ZINC000536652457 1032033787 /nfs/dbraw/zinc/03/37/87/1032033787.db2.gz ODJCEOGGQOWRSW-UHFFFAOYSA-N 2 1 334.504 3.646 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000685462863 1033356957 /nfs/dbraw/zinc/35/69/57/1033356957.db2.gz WKVPHAVPCLJNMK-KRWDZBQOSA-N 2 1 329.488 3.970 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000685462863 1033356970 /nfs/dbraw/zinc/35/69/70/1033356970.db2.gz WKVPHAVPCLJNMK-KRWDZBQOSA-N 2 1 329.488 3.970 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000657900663 1033441166 /nfs/dbraw/zinc/44/11/66/1033441166.db2.gz JJGHFHRCKZMCRT-RCKXYERXSA-N 2 1 330.516 3.977 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000657900663 1033441176 /nfs/dbraw/zinc/44/11/76/1033441176.db2.gz JJGHFHRCKZMCRT-RCKXYERXSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000608061224 1033455184 /nfs/dbraw/zinc/45/51/84/1033455184.db2.gz HYLKUQPFMKLFGQ-QFBILLFUSA-N 2 1 342.458 3.977 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598959174 1033593750 /nfs/dbraw/zinc/59/37/50/1033593750.db2.gz GBDOEWHGWPQVJY-AWEZNQCLSA-N 2 1 338.517 3.525 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598959174 1033593755 /nfs/dbraw/zinc/59/37/55/1033593755.db2.gz GBDOEWHGWPQVJY-AWEZNQCLSA-N 2 1 338.517 3.525 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107370353 1033661302 /nfs/dbraw/zinc/66/13/02/1033661302.db2.gz DISFIJJQMQRLRQ-GHTZIAJQSA-N 2 1 343.559 3.757 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCn3nccc32)C[N@H+]1Cc1ccccc1 ZINC000657933738 1033684079 /nfs/dbraw/zinc/68/40/79/1033684079.db2.gz VCNROLYQRYYIBP-RLLQIKCJSA-N 2 1 338.499 3.608 20 0 EHADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000550608421 1033725934 /nfs/dbraw/zinc/72/59/34/1033725934.db2.gz GOLITZYYSJGJAS-NJYVYQBISA-N 2 1 331.548 3.778 20 0 EHADMP CCCn1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000574968176 1033744574 /nfs/dbraw/zinc/74/45/74/1033744574.db2.gz OSWQHRWMDHQOSN-YADHBBJMSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000574968176 1033744591 /nfs/dbraw/zinc/74/45/91/1033744591.db2.gz OSWQHRWMDHQOSN-YADHBBJMSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000574968176 1033744605 /nfs/dbraw/zinc/74/46/05/1033744605.db2.gz OSWQHRWMDHQOSN-YADHBBJMSA-N 2 1 337.511 3.852 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC[C@@H]2O)CCN1Cc1ccccc1 ZINC000574986962 1033751037 /nfs/dbraw/zinc/75/10/37/1033751037.db2.gz VLPRFHBQGWVPFL-WLRLJWMZSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000574986962 1033751051 /nfs/dbraw/zinc/75/10/51/1033751051.db2.gz VLPRFHBQGWVPFL-WLRLJWMZSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000574986962 1033751068 /nfs/dbraw/zinc/75/10/68/1033751068.db2.gz VLPRFHBQGWVPFL-WLRLJWMZSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCC[C@@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986962 1033751080 /nfs/dbraw/zinc/75/10/80/1033751080.db2.gz VLPRFHBQGWVPFL-WLRLJWMZSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC[C@@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986962 1033751095 /nfs/dbraw/zinc/75/10/95/1033751095.db2.gz VLPRFHBQGWVPFL-WLRLJWMZSA-N 2 1 330.516 3.522 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550621921 1033752790 /nfs/dbraw/zinc/75/27/90/1033752790.db2.gz PQPWFURVKFNDQP-IEIRFRATSA-N 2 1 349.522 3.938 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550621921 1033752808 /nfs/dbraw/zinc/75/28/08/1033752808.db2.gz PQPWFURVKFNDQP-IEIRFRATSA-N 2 1 349.522 3.938 20 0 EHADMP Cc1ccccc1C[N@H+](C1CCC([NH+](C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168311974 1033909245 /nfs/dbraw/zinc/90/92/45/1033909245.db2.gz GONDDVDOSAGPHG-IKVFXUPASA-N 3 1 343.559 3.940 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658097178 1033929332 /nfs/dbraw/zinc/92/93/32/1033929332.db2.gz VNYQFXZOOZTGBW-WIYYLYMNSA-N 2 1 343.559 3.544 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658122674 1033979686 /nfs/dbraw/zinc/97/96/86/1033979686.db2.gz HBKOUWIMILOULE-ZRBLBEILSA-N 2 1 349.522 3.965 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534059111 1034086020 /nfs/dbraw/zinc/08/60/20/1034086020.db2.gz UJBXKMLDRZNOBO-OAHLLOKOSA-N 2 1 343.696 3.774 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1(F)F ZINC000658216222 1034100597 /nfs/dbraw/zinc/10/05/97/1034100597.db2.gz AMYDFPFGHQKUEV-NCXUSEDFSA-N 2 1 334.454 3.922 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCOC1 ZINC000658319651 1034197099 /nfs/dbraw/zinc/19/70/99/1034197099.db2.gz GPIVEJRDVAJGOB-CEWLAPEOSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658341091 1034217062 /nfs/dbraw/zinc/21/70/62/1034217062.db2.gz UGDVGZIWNNCASH-WIYYLYMNSA-N 2 1 328.500 3.605 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000658364207 1034238657 /nfs/dbraw/zinc/23/86/57/1034238657.db2.gz YLGWBBAQNFJCOI-CKJXQJPGSA-N 2 1 335.451 3.953 20 0 EHADMP c1nc([C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)n2c1CCCC2 ZINC000669714436 1034337277 /nfs/dbraw/zinc/33/72/77/1034337277.db2.gz PNQZMQUGOUVXCR-CQSZACIVSA-N 2 1 342.512 3.544 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179736 1034405339 /nfs/dbraw/zinc/40/53/39/1034405339.db2.gz GGSHJQBREAASCT-DENIHFKCSA-N 2 1 348.494 3.770 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179736 1034405343 /nfs/dbraw/zinc/40/53/43/1034405343.db2.gz GGSHJQBREAASCT-DENIHFKCSA-N 2 1 348.494 3.770 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349783 1034424523 /nfs/dbraw/zinc/42/45/23/1034424523.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349783 1034424529 /nfs/dbraw/zinc/42/45/29/1034424529.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349783 1034424536 /nfs/dbraw/zinc/42/45/36/1034424536.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349783 1034424540 /nfs/dbraw/zinc/42/45/40/1034424540.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349783 1034424542 /nfs/dbraw/zinc/42/45/42/1034424542.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349783 1034424544 /nfs/dbraw/zinc/42/45/44/1034424544.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349783 1034424548 /nfs/dbraw/zinc/42/45/48/1034424548.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349783 1034424551 /nfs/dbraw/zinc/42/45/51/1034424551.db2.gz OFTNMWMAZZVLAS-WMZOPIPTSA-N 2 1 326.488 3.649 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)sc1C ZINC000340267997 1034473812 /nfs/dbraw/zinc/47/38/12/1034473812.db2.gz PLOWWRFKCTWROQ-MSOLQXFVSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)sc1C ZINC000340267997 1034473815 /nfs/dbraw/zinc/47/38/15/1034473815.db2.gz PLOWWRFKCTWROQ-MSOLQXFVSA-N 2 1 329.513 3.728 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340362438 1034494153 /nfs/dbraw/zinc/49/41/53/1034494153.db2.gz UXPRJAOCPXDUJO-SBHAEUEKSA-N 2 1 342.483 3.652 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340362438 1034494158 /nfs/dbraw/zinc/49/41/58/1034494158.db2.gz UXPRJAOCPXDUJO-SBHAEUEKSA-N 2 1 342.483 3.652 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000375888150 1034837876 /nfs/dbraw/zinc/83/78/76/1034837876.db2.gz KJTJDTGGRYUQCE-OEXSPLCWSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000375888150 1034837887 /nfs/dbraw/zinc/83/78/87/1034837887.db2.gz KJTJDTGGRYUQCE-OEXSPLCWSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000375888150 1034837895 /nfs/dbraw/zinc/83/78/95/1034837895.db2.gz KJTJDTGGRYUQCE-OEXSPLCWSA-N 3 1 341.543 3.646 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481005 1034925831 /nfs/dbraw/zinc/92/58/31/1034925831.db2.gz OQEMTTKVRIBGNQ-RTBURBONSA-N 2 1 346.515 3.838 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481005 1034925838 /nfs/dbraw/zinc/92/58/38/1034925838.db2.gz OQEMTTKVRIBGNQ-RTBURBONSA-N 2 1 346.515 3.838 20 0 EHADMP COc1ccc2oc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cc2c1 ZINC000375997492 1035087580 /nfs/dbraw/zinc/08/75/80/1035087580.db2.gz BKAMPZMEEJPQMC-UHFFFAOYSA-N 2 1 328.456 3.749 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785536 1035230669 /nfs/dbraw/zinc/23/06/69/1035230669.db2.gz RJECXTFJDTVXAP-QGZVFWFLSA-N 2 1 344.421 3.556 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785536 1035230672 /nfs/dbraw/zinc/23/06/72/1035230672.db2.gz RJECXTFJDTVXAP-QGZVFWFLSA-N 2 1 344.421 3.556 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000570417110 1035251330 /nfs/dbraw/zinc/25/13/30/1035251330.db2.gz WFZPCEDOOKNLJO-JZXOWHBKSA-N 2 1 344.490 3.633 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000472476066 1035325752 /nfs/dbraw/zinc/32/57/52/1035325752.db2.gz HYFHNXQUAIAJNO-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000472476066 1035325757 /nfs/dbraw/zinc/32/57/57/1035325757.db2.gz HYFHNXQUAIAJNO-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000472476066 1035325762 /nfs/dbraw/zinc/32/57/62/1035325762.db2.gz HYFHNXQUAIAJNO-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccsc2S1 ZINC000305119483 1035681572 /nfs/dbraw/zinc/68/15/72/1035681572.db2.gz JCLDDUGCWBXFBA-DZKIICNBSA-N 2 1 340.558 3.500 20 0 EHADMP Cc1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1-c1ccccc1 ZINC000174287492 1035933571 /nfs/dbraw/zinc/93/35/71/1035933571.db2.gz PDVZLNKLMCQLHJ-UHFFFAOYSA-N 2 1 326.488 3.580 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414211642 1036084501 /nfs/dbraw/zinc/08/45/01/1036084501.db2.gz VQSJAYFYUFUBIZ-ZIBCJSCZSA-N 2 1 330.516 3.549 20 0 EHADMP CCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C)n1 ZINC000892570797 1036197322 /nfs/dbraw/zinc/19/73/22/1036197322.db2.gz OSGGDAQZLPAPDD-QGZVFWFLSA-N 2 1 340.515 3.876 20 0 EHADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168389395 1036364413 /nfs/dbraw/zinc/36/44/13/1036364413.db2.gz NRARKCMCTBBZRL-UHFFFAOYSA-N 2 1 338.417 3.938 20 0 EHADMP FC(F)(F)c1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168389395 1036364434 /nfs/dbraw/zinc/36/44/34/1036364434.db2.gz NRARKCMCTBBZRL-UHFFFAOYSA-N 2 1 338.417 3.938 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000156997945 1036411367 /nfs/dbraw/zinc/41/13/67/1036411367.db2.gz MWCSVXAFVHFKSU-QIJUGHKUSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000156997945 1036411377 /nfs/dbraw/zinc/41/13/77/1036411377.db2.gz MWCSVXAFVHFKSU-QIJUGHKUSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156997945 1036411389 /nfs/dbraw/zinc/41/13/89/1036411389.db2.gz MWCSVXAFVHFKSU-QIJUGHKUSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156997945 1036411397 /nfs/dbraw/zinc/41/13/97/1036411397.db2.gz MWCSVXAFVHFKSU-QIJUGHKUSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)OCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414278222 1036425211 /nfs/dbraw/zinc/42/52/11/1036425211.db2.gz YBJULSCZGCTMJM-XLIONFOSSA-N 2 1 330.516 3.692 20 0 EHADMP CCc1ncc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414282237 1036444127 /nfs/dbraw/zinc/44/41/27/1036444127.db2.gz HBJZTWXRDOUAMO-KRWDZBQOSA-N 2 1 338.499 3.561 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000414282237 1036444134 /nfs/dbraw/zinc/44/41/34/1036444134.db2.gz HBJZTWXRDOUAMO-KRWDZBQOSA-N 2 1 338.499 3.561 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414282237 1036444142 /nfs/dbraw/zinc/44/41/42/1036444142.db2.gz HBJZTWXRDOUAMO-KRWDZBQOSA-N 2 1 338.499 3.561 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cccc3ccccc32)C1 ZINC000464788118 1036786461 /nfs/dbraw/zinc/78/64/61/1036786461.db2.gz HYFMQGCLYUECBO-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788118 1036786469 /nfs/dbraw/zinc/78/64/69/1036786469.db2.gz HYFMQGCLYUECBO-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788118 1036786487 /nfs/dbraw/zinc/78/64/87/1036786487.db2.gz HYFMQGCLYUECBO-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000310380978 1036824592 /nfs/dbraw/zinc/82/45/92/1036824592.db2.gz RBRGWOIRCMXSBH-QGZVFWFLSA-N 2 1 342.483 3.877 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000310380978 1036824622 /nfs/dbraw/zinc/82/46/22/1036824622.db2.gz RBRGWOIRCMXSBH-QGZVFWFLSA-N 2 1 342.483 3.877 20 0 EHADMP C[N@@H+](CCCOc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464840520 1036880399 /nfs/dbraw/zinc/88/03/99/1036880399.db2.gz VJJLVUXMLWWPFW-NRFANRHFSA-N 2 1 338.495 3.909 20 0 EHADMP C[NH+](CCCOc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840520 1036880423 /nfs/dbraw/zinc/88/04/23/1036880423.db2.gz VJJLVUXMLWWPFW-NRFANRHFSA-N 2 1 338.495 3.909 20 0 EHADMP C[NH+](CCCOc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840520 1036880448 /nfs/dbraw/zinc/88/04/48/1036880448.db2.gz VJJLVUXMLWWPFW-NRFANRHFSA-N 2 1 338.495 3.909 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168448293 1036900010 /nfs/dbraw/zinc/90/00/10/1036900010.db2.gz KNIGVHPDTDKLFK-FQEVSTJZSA-N 2 1 339.458 3.645 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCC(C(F)(F)F)CC1 ZINC000423190214 1037109350 /nfs/dbraw/zinc/10/93/50/1037109350.db2.gz QNPJHXXOCBCZAH-OOHWJJMZSA-N 2 1 343.437 3.908 20 0 EHADMP FC(F)Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545676 1037115948 /nfs/dbraw/zinc/11/59/48/1037115948.db2.gz BPQMESXPUGYHEM-STQMWFEESA-N 2 1 344.833 3.763 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CCCO)CC1 ZINC000542173713 1037135024 /nfs/dbraw/zinc/13/50/24/1037135024.db2.gz GOPUXLLJYRMLAU-UHFFFAOYSA-N 2 1 332.532 3.629 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277887 1037235630 /nfs/dbraw/zinc/23/56/30/1037235630.db2.gz CVCGXJRAXGRCGP-ZWKOTPCHSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277887 1037235648 /nfs/dbraw/zinc/23/56/48/1037235648.db2.gz CVCGXJRAXGRCGP-ZWKOTPCHSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277887 1037235662 /nfs/dbraw/zinc/23/56/62/1037235662.db2.gz CVCGXJRAXGRCGP-ZWKOTPCHSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277887 1037235674 /nfs/dbraw/zinc/23/56/74/1037235674.db2.gz CVCGXJRAXGRCGP-ZWKOTPCHSA-N 2 1 338.536 3.695 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818208 1037238906 /nfs/dbraw/zinc/23/89/06/1037238906.db2.gz KENDIMXCZFLEAY-ZFWWWQNUSA-N 2 1 330.394 3.747 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818208 1037238916 /nfs/dbraw/zinc/23/89/16/1037238916.db2.gz KENDIMXCZFLEAY-ZFWWWQNUSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818208 1037238935 /nfs/dbraw/zinc/23/89/35/1037238935.db2.gz KENDIMXCZFLEAY-ZFWWWQNUSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818208 1037238957 /nfs/dbraw/zinc/23/89/57/1037238957.db2.gz KENDIMXCZFLEAY-ZFWWWQNUSA-N 2 1 330.394 3.747 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)C2 ZINC000462796683 1037410538 /nfs/dbraw/zinc/41/05/38/1037410538.db2.gz UYCMCEIRWJOWLX-BAGYTPMASA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)C2 ZINC000462796683 1037410545 /nfs/dbraw/zinc/41/05/45/1037410545.db2.gz UYCMCEIRWJOWLX-BAGYTPMASA-N 2 1 342.527 3.620 20 0 EHADMP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]c3ccsc32)cc1 ZINC000462827763 1037429823 /nfs/dbraw/zinc/42/98/23/1037429823.db2.gz JTEMNIOBYJLFLX-UHFFFAOYSA-N 2 1 341.480 3.891 20 0 EHADMP Cc1cnccc1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000573482710 1037582726 /nfs/dbraw/zinc/58/27/26/1037582726.db2.gz KCTGILGVRPOVEV-QFIPXVFZSA-N 2 1 335.495 3.531 20 0 EHADMP Cc1cnccc1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573482710 1037582739 /nfs/dbraw/zinc/58/27/39/1037582739.db2.gz KCTGILGVRPOVEV-QFIPXVFZSA-N 2 1 335.495 3.531 20 0 EHADMP Cc1cnccc1CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573482710 1037582750 /nfs/dbraw/zinc/58/27/50/1037582750.db2.gz KCTGILGVRPOVEV-QFIPXVFZSA-N 2 1 335.495 3.531 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000540160944 1037617874 /nfs/dbraw/zinc/61/78/74/1037617874.db2.gz RZSFZRJDGVQCDJ-YJMBLLCNSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000540160944 1037617886 /nfs/dbraw/zinc/61/78/86/1037617886.db2.gz RZSFZRJDGVQCDJ-YJMBLLCNSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030641 1037686708 /nfs/dbraw/zinc/68/67/08/1037686708.db2.gz UDMMLZMWJDPVJT-HKUYNNGSSA-N 2 1 348.531 3.607 20 0 EHADMP C[C@@H]1CSCC[NH+]1Cc1ccc(C[N@@H+]2CCSC[C@H]2C)cc1 ZINC000532578652 1037692820 /nfs/dbraw/zinc/69/28/20/1037692820.db2.gz MFESCNVUZGXHIJ-HZPDHXFCSA-N 2 1 336.570 3.561 20 0 EHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905143 1037702432 /nfs/dbraw/zinc/70/24/32/1037702432.db2.gz GVAVYOYGZRDIRC-DYVFJYSZSA-N 2 1 349.316 3.819 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccnc3)CC2)cs1 ZINC000112546821 1037763006 /nfs/dbraw/zinc/76/30/06/1037763006.db2.gz JWYDVWMDLAZJQD-HNNXBMFYSA-N 2 1 344.528 3.663 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137758 1037802430 /nfs/dbraw/zinc/80/24/30/1037802430.db2.gz MZTLAOFISKBMSO-PZJWPPBQSA-N 2 1 337.511 3.766 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463137758 1037802449 /nfs/dbraw/zinc/80/24/49/1037802449.db2.gz MZTLAOFISKBMSO-PZJWPPBQSA-N 2 1 337.511 3.766 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4C[C@@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463204419 1037873543 /nfs/dbraw/zinc/87/35/43/1037873543.db2.gz JIYLGSNUCXKEFK-KAOXLYBCSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4C[C@@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463204419 1037873558 /nfs/dbraw/zinc/87/35/58/1037873558.db2.gz JIYLGSNUCXKEFK-KAOXLYBCSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4C[C@@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463204419 1037873573 /nfs/dbraw/zinc/87/35/73/1037873573.db2.gz JIYLGSNUCXKEFK-KAOXLYBCSA-N 2 1 332.491 3.996 20 0 EHADMP COC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC(C)CC1 ZINC000463252080 1037952996 /nfs/dbraw/zinc/95/29/96/1037952996.db2.gz XYMYZVMKOLOPLX-UHFFFAOYSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463284630 1037969679 /nfs/dbraw/zinc/96/96/79/1037969679.db2.gz HIXJIUKSFMEZDS-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP CCCC1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000540505594 1038024920 /nfs/dbraw/zinc/02/49/20/1038024920.db2.gz UBZJJJRCHPFYFH-XVAXZDLZSA-N 2 1 335.580 3.693 20 0 EHADMP C[N@H+]1CC[C@H](NCc2csc(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000367613224 1038279863 /nfs/dbraw/zinc/27/98/63/1038279863.db2.gz BXJLDCSNJXKVAR-FGTMMUONSA-N 2 1 327.497 3.773 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000367613224 1038279868 /nfs/dbraw/zinc/27/98/68/1038279868.db2.gz BXJLDCSNJXKVAR-FGTMMUONSA-N 2 1 327.497 3.773 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000367613224 1038279877 /nfs/dbraw/zinc/27/98/77/1038279877.db2.gz BXJLDCSNJXKVAR-FGTMMUONSA-N 2 1 327.497 3.773 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2cnc(F)cc2C)c(C)c1 ZINC000893183779 1038304978 /nfs/dbraw/zinc/30/49/78/1038304978.db2.gz PQPJDMYXRICYIP-IBGZPJMESA-N 2 1 338.430 3.874 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538717360 1038487902 /nfs/dbraw/zinc/48/79/02/1038487902.db2.gz WDIHRSLGOUCBAP-NRFANRHFSA-N 2 1 343.559 3.562 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000538985056 1038629459 /nfs/dbraw/zinc/62/94/59/1038629459.db2.gz RVDCHWCUIDZUAQ-HXUWFJFHSA-N 2 1 349.588 3.843 20 0 EHADMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)n1 ZINC000659993560 1038647902 /nfs/dbraw/zinc/64/79/02/1038647902.db2.gz PIJIRIRCHZZBFL-LAUBAEHRSA-N 2 1 338.499 3.578 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059099 1038659880 /nfs/dbraw/zinc/65/98/80/1038659880.db2.gz MPUVVGWBVUDJLZ-YLJYHZDGSA-N 2 1 348.494 3.514 20 0 EHADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]c1C ZINC000628293391 1038667526 /nfs/dbraw/zinc/66/75/26/1038667526.db2.gz ZZAKZLWAQWZPAG-UHFFFAOYSA-N 2 1 338.499 3.515 20 0 EHADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]c1C ZINC000628293391 1038667533 /nfs/dbraw/zinc/66/75/33/1038667533.db2.gz ZZAKZLWAQWZPAG-UHFFFAOYSA-N 2 1 338.499 3.515 20 0 EHADMP CC(C)[C@H](C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C)[NH+]1CCCC1 ZINC000539159392 1038709857 /nfs/dbraw/zinc/70/98/57/1038709857.db2.gz CUYMDKGUGNBZRE-HKUYNNGSSA-N 2 1 345.487 3.941 20 0 EHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000668817850 1038791368 /nfs/dbraw/zinc/79/13/68/1038791368.db2.gz AWBAVPKUYWCROT-VQIMIIECSA-N 2 1 348.506 3.725 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871242 1038813518 /nfs/dbraw/zinc/81/35/18/1038813518.db2.gz DCNGWYUDUNAPLB-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871242 1038813543 /nfs/dbraw/zinc/81/35/43/1038813543.db2.gz DCNGWYUDUNAPLB-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871242 1038813572 /nfs/dbraw/zinc/81/35/72/1038813572.db2.gz DCNGWYUDUNAPLB-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP CC(C)C[C@H](C)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512425986 1039096144 /nfs/dbraw/zinc/09/61/44/1039096144.db2.gz DLUSBPHMQHZTDF-RBBKRZOGSA-N 2 1 343.559 3.561 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CCOCC2)CC3)cc1 ZINC000432773014 1039103526 /nfs/dbraw/zinc/10/35/26/1039103526.db2.gz YZELRDZELMNWPN-UHFFFAOYSA-N 2 1 342.527 3.791 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)CCC2)cc1 ZINC000552283423 1039136831 /nfs/dbraw/zinc/13/68/31/1039136831.db2.gz CQITXBYPMQAQBT-XUVXKRRUSA-N 2 1 328.500 3.579 20 0 EHADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000480093327 1039144754 /nfs/dbraw/zinc/14/47/54/1039144754.db2.gz NRBUYUDZCAOQLS-KSSFIOAISA-N 2 1 333.838 3.709 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(CCOc2ccc3ccccc3c2)C1 ZINC000478046437 1039166087 /nfs/dbraw/zinc/16/60/87/1039166087.db2.gz ZXCJWXVAOMLYEB-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000478046437 1039166098 /nfs/dbraw/zinc/16/60/98/1039166098.db2.gz ZXCJWXVAOMLYEB-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000478046437 1039166111 /nfs/dbraw/zinc/16/61/11/1039166111.db2.gz ZXCJWXVAOMLYEB-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000478046437 1039166120 /nfs/dbraw/zinc/16/61/20/1039166120.db2.gz ZXCJWXVAOMLYEB-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000478046437 1039166127 /nfs/dbraw/zinc/16/61/27/1039166127.db2.gz ZXCJWXVAOMLYEB-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000905909395 1039167448 /nfs/dbraw/zinc/16/74/48/1039167448.db2.gz NCKMSROIWUGOTF-QFIPXVFZSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000898517999 1039185525 /nfs/dbraw/zinc/18/55/25/1039185525.db2.gz FUFZKBLMKUNNNN-RRBDIMIKSA-N 2 1 342.527 3.833 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660115195 1039192325 /nfs/dbraw/zinc/19/23/25/1039192325.db2.gz MKFFLEORPRQEOD-BEFAXECRSA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115195 1039192335 /nfs/dbraw/zinc/19/23/35/1039192335.db2.gz MKFFLEORPRQEOD-BEFAXECRSA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000660115195 1039192352 /nfs/dbraw/zinc/19/23/52/1039192352.db2.gz MKFFLEORPRQEOD-BEFAXECRSA-N 2 1 341.524 3.788 20 0 EHADMP Cc1cnccc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520010 1039192645 /nfs/dbraw/zinc/19/26/45/1039192645.db2.gz SHWKYJGMTCPBAK-FSSWDIPSSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1nc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000898523153 1039199674 /nfs/dbraw/zinc/19/96/74/1039199674.db2.gz ZYPQSFSGJODPAX-QYZOEREBSA-N 2 1 341.524 3.842 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000898523083 1039201704 /nfs/dbraw/zinc/20/17/04/1039201704.db2.gz YSKYBOCNEBJULR-QHAWAJNXSA-N 2 1 335.495 3.780 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480238568 1039338530 /nfs/dbraw/zinc/33/85/30/1039338530.db2.gz DPPKLQRBIHTUQS-NRFANRHFSA-N 2 1 336.479 3.721 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480238568 1039338547 /nfs/dbraw/zinc/33/85/47/1039338547.db2.gz DPPKLQRBIHTUQS-NRFANRHFSA-N 2 1 336.479 3.721 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155910905 1039368247 /nfs/dbraw/zinc/36/82/47/1039368247.db2.gz XKXYZSIZOPQVTB-XOKHGSTOSA-N 2 1 337.305 3.597 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CO1 ZINC000660151143 1039392288 /nfs/dbraw/zinc/39/22/88/1039392288.db2.gz XSSCUPLZPUBCER-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000245575047 1039634903 /nfs/dbraw/zinc/63/49/03/1039634903.db2.gz FBBKRSGTCWQGQM-GJZGRUSLSA-N 2 1 345.512 3.523 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000245575047 1039634909 /nfs/dbraw/zinc/63/49/09/1039634909.db2.gz FBBKRSGTCWQGQM-GJZGRUSLSA-N 2 1 345.512 3.523 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000489335763 1039842860 /nfs/dbraw/zinc/84/28/60/1039842860.db2.gz ZKXCPOLQWLUSHO-SIKLNZKXSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000659862975 1039881362 /nfs/dbraw/zinc/88/13/62/1039881362.db2.gz GWWUJWWWVQWLAC-ZCNNSNEGSA-N 2 1 335.580 3.693 20 0 EHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1Br ZINC000554878088 1039893318 /nfs/dbraw/zinc/89/33/18/1039893318.db2.gz GGQORRYRRPHXLH-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)sc1Br ZINC000554878088 1039893259 /nfs/dbraw/zinc/89/32/59/1039893259.db2.gz GGQORRYRRPHXLH-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)sc1Br ZINC000554878088 1039893285 /nfs/dbraw/zinc/89/32/85/1039893285.db2.gz GGQORRYRRPHXLH-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1Br ZINC000554878088 1039893300 /nfs/dbraw/zinc/89/33/00/1039893300.db2.gz GGQORRYRRPHXLH-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP Cc1nc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)sc1C ZINC000310396415 1039901123 /nfs/dbraw/zinc/90/11/23/1039901123.db2.gz MBTFLVQMJJWDBF-RBUKOAKNSA-N 2 1 341.524 3.714 20 0 EHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807403 1039920187 /nfs/dbraw/zinc/92/01/87/1039920187.db2.gz XRKDLKURRCEZDB-OXJNMPFZSA-N 2 1 344.886 3.628 20 0 EHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807403 1039920202 /nfs/dbraw/zinc/92/02/02/1039920202.db2.gz XRKDLKURRCEZDB-OXJNMPFZSA-N 2 1 344.886 3.628 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(Br)n1 ZINC000924720343 1040181474 /nfs/dbraw/zinc/18/14/74/1040181474.db2.gz HQVBOYVCUQCMOO-UONOGXRCSA-N 2 1 340.309 3.617 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667786209 1040193793 /nfs/dbraw/zinc/19/37/93/1040193793.db2.gz LCFXSAZNBBIPLQ-CZAAIQMYSA-N 2 1 328.500 3.576 20 0 EHADMP C[NH+](Cc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1)[C@@H]1CCSC1 ZINC000245934857 1040219962 /nfs/dbraw/zinc/21/99/62/1040219962.db2.gz VKSROKBQCVBRRL-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP C[NH+](Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1)[C@H]1CCSC1 ZINC000245934857 1040219972 /nfs/dbraw/zinc/21/99/72/1040219972.db2.gz VKSROKBQCVBRRL-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP C[NH+](Cc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1)[C@H]1CCSC1 ZINC000245934857 1040219989 /nfs/dbraw/zinc/21/99/89/1040219989.db2.gz VKSROKBQCVBRRL-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000479442009 1040239236 /nfs/dbraw/zinc/23/92/36/1040239236.db2.gz CFEKRPUJOGVIHJ-VLCRHTCISA-N 2 1 342.527 3.725 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2F)s1 ZINC000481038387 1040304158 /nfs/dbraw/zinc/30/41/58/1040304158.db2.gz NJFPPCXMPKZMSO-CABCVRRESA-N 2 1 348.487 3.662 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000490227232 1040408494 /nfs/dbraw/zinc/40/84/94/1040408494.db2.gz MYOXDWVGPKCKGA-FHWLQOOXSA-N 2 1 345.531 3.859 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000667535157 1040498785 /nfs/dbraw/zinc/49/87/85/1040498785.db2.gz ZWSIXAFCILYISW-GOSISDBHSA-N 2 1 348.531 3.653 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000120143730 1040514701 /nfs/dbraw/zinc/51/47/01/1040514701.db2.gz NSWOKBLGPPTUOP-ROUUACIJSA-N 2 1 326.488 3.787 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc(-c4ccccc4Cl)on3)CC[C@H]21 ZINC000419226756 1040530368 /nfs/dbraw/zinc/53/03/68/1040530368.db2.gz DUORXZDCOVMOLI-RDTXWAMCSA-N 2 1 345.874 3.911 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500124322 1040572572 /nfs/dbraw/zinc/57/25/72/1040572572.db2.gz NEZIJMPEURHZDG-GOSISDBHSA-N 2 1 346.515 3.806 20 0 EHADMP CC(C)OC(=O)C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165154 1040772958 /nfs/dbraw/zinc/77/29/58/1040772958.db2.gz FZUXHLZKSNKJDS-QZTJIDSGSA-N 2 1 332.488 3.532 20 0 EHADMP CC(C)OC(=O)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165154 1040772990 /nfs/dbraw/zinc/77/29/90/1040772990.db2.gz FZUXHLZKSNKJDS-QZTJIDSGSA-N 2 1 332.488 3.532 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000570912683 1040977550 /nfs/dbraw/zinc/97/75/50/1040977550.db2.gz KSTFFUORTGOHDR-ADZOAZKOSA-N 2 1 328.500 3.728 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171746 1040990674 /nfs/dbraw/zinc/99/06/74/1040990674.db2.gz CLNILRQVLXLBTB-UHFFFAOYSA-N 3 1 343.559 3.706 20 0 EHADMP CC[NH+](CC)CCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171746 1040990703 /nfs/dbraw/zinc/99/07/03/1040990703.db2.gz CLNILRQVLXLBTB-UHFFFAOYSA-N 2 1 343.559 3.706 20 0 EHADMP Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC000390558288 1040992696 /nfs/dbraw/zinc/99/26/96/1040992696.db2.gz AAENFOQTLNPKFT-FQEVSTJZSA-N 2 1 342.458 3.515 20 0 EHADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(Cl)c1 ZINC001212145107 1041125754 /nfs/dbraw/zinc/12/57/54/1041125754.db2.gz KZZJWXIUHUEUHZ-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2F)no1 ZINC001212145422 1041170504 /nfs/dbraw/zinc/17/05/04/1041170504.db2.gz UEFRRMAMYORYFJ-AWEZNQCLSA-N 2 1 340.830 3.697 20 0 EHADMP Cc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000390725066 1041387917 /nfs/dbraw/zinc/38/79/17/1041387917.db2.gz LFUSVKZCBHZNHW-JOCHJYFZSA-N 2 1 338.495 3.684 20 0 EHADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000660678390 1041770178 /nfs/dbraw/zinc/77/01/78/1041770178.db2.gz TUCZGQMAZFDBOY-FQEVSTJZSA-N 2 1 328.500 3.732 20 0 EHADMP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000651673329 1041889717 /nfs/dbraw/zinc/88/97/17/1041889717.db2.gz DZVRWHZVNMEJIP-FQEVSTJZSA-N 2 1 332.532 3.734 20 0 EHADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651691740 1041932082 /nfs/dbraw/zinc/93/20/82/1041932082.db2.gz FPSLLISURDGDPY-GOSISDBHSA-N 2 1 335.451 3.830 20 0 EHADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651691740 1041932088 /nfs/dbraw/zinc/93/20/88/1041932088.db2.gz FPSLLISURDGDPY-GOSISDBHSA-N 2 1 335.451 3.830 20 0 EHADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000595006360 1042146326 /nfs/dbraw/zinc/14/63/26/1042146326.db2.gz JILWRFIMXPXOJY-KRWDZBQOSA-N 2 1 346.515 3.609 20 0 EHADMP CC[N@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccnc1)C1CCCCC1 ZINC000651909246 1042169742 /nfs/dbraw/zinc/16/97/42/1042169742.db2.gz CHULKBYNTFRUGH-UHFFFAOYSA-N 2 1 341.503 3.606 20 0 EHADMP CC[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccnc1)C1CCCCC1 ZINC000651909246 1042169745 /nfs/dbraw/zinc/16/97/45/1042169745.db2.gz CHULKBYNTFRUGH-UHFFFAOYSA-N 2 1 341.503 3.606 20 0 EHADMP CCC[C@H](C)[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000652231007 1042280491 /nfs/dbraw/zinc/28/04/91/1042280491.db2.gz HIQUVZSQVROZDM-RLHVNXBHSA-N 2 1 332.532 3.816 20 0 EHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2c1C ZINC000473143348 1042310652 /nfs/dbraw/zinc/31/06/52/1042310652.db2.gz MCVLDWANDHDIOF-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2c1C ZINC000473143348 1042310658 /nfs/dbraw/zinc/31/06/58/1042310658.db2.gz MCVLDWANDHDIOF-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2c1C ZINC000473143348 1042310662 /nfs/dbraw/zinc/31/06/62/1042310662.db2.gz MCVLDWANDHDIOF-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2c1C ZINC000473143348 1042310666 /nfs/dbraw/zinc/31/06/66/1042310666.db2.gz MCVLDWANDHDIOF-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000652339173 1042392476 /nfs/dbraw/zinc/39/24/76/1042392476.db2.gz GBANBWOCNOTWPZ-QFIPXVFZSA-N 2 1 335.495 3.735 20 0 EHADMP Cc1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652347584 1042408087 /nfs/dbraw/zinc/40/80/87/1042408087.db2.gz FHPUVYNLQBJZIJ-BJLQDIEVSA-N 2 1 348.556 3.614 20 0 EHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000652351181 1042413646 /nfs/dbraw/zinc/41/36/46/1042413646.db2.gz KLELMDXSHSFQAN-KSSFIOAISA-N 2 1 331.847 3.556 20 0 EHADMP c1csc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662292355 1042662996 /nfs/dbraw/zinc/66/29/96/1042662996.db2.gz DYAUEHISJAFRDP-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)[C@@H]1CCC[NH3+] ZINC000662312991 1042676875 /nfs/dbraw/zinc/67/68/75/1042676875.db2.gz JCCNJPNGWKCPBG-CZUORRHYSA-N 2 1 334.895 3.566 20 0 EHADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312996 1042677183 /nfs/dbraw/zinc/67/71/83/1042677183.db2.gz DXQYJVDZUDIIDP-DNVCBOLYSA-N 2 1 332.488 3.627 20 0 EHADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347660 1042735786 /nfs/dbraw/zinc/73/57/86/1042735786.db2.gz RNTNTJFUXRQBDS-MRXNPFEDSA-N 2 1 326.406 3.917 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000278913282 1042929329 /nfs/dbraw/zinc/92/93/29/1042929329.db2.gz HBIRKQNPOHADCU-ZIAGYGMSSA-N 2 1 331.485 3.527 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925786949 1042979116 /nfs/dbraw/zinc/97/91/16/1042979116.db2.gz YCTDDSAAZJBUGT-CMPLNLGQSA-N 2 1 331.476 3.644 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925787313 1042982259 /nfs/dbraw/zinc/98/22/59/1042982259.db2.gz ZZCLHFDBFKVEQR-SWLSCSKDSA-N 2 1 344.833 3.697 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001167833625 1043005953 /nfs/dbraw/zinc/00/59/53/1043005953.db2.gz CNJJAUKJURFUGT-NNWRFLSQSA-N 2 1 343.559 3.703 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001167836437 1043043452 /nfs/dbraw/zinc/04/34/52/1043043452.db2.gz ZZUFIUYNWRKBMT-AQNXPRMDSA-N 2 1 329.532 3.565 20 0 EHADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000344022755 1043113541 /nfs/dbraw/zinc/11/35/41/1043113541.db2.gz OLBZOAVOFMUTKP-IAQYHMDHSA-N 2 1 331.273 3.969 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412088 1043117266 /nfs/dbraw/zinc/11/72/66/1043117266.db2.gz ACZDCKMCNRRFSX-DNVCBOLYSA-N 2 1 336.907 3.808 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001167841868 1043126642 /nfs/dbraw/zinc/12/66/42/1043126642.db2.gz SRCSETYDKOCBEA-WFASDCNBSA-N 2 1 332.414 3.853 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424493 1043165623 /nfs/dbraw/zinc/16/56/23/1043165623.db2.gz JBHNJEDUFANWRF-UTKZUKDTSA-N 2 1 346.490 3.852 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424493 1043165625 /nfs/dbraw/zinc/16/56/25/1043165625.db2.gz JBHNJEDUFANWRF-UTKZUKDTSA-N 2 1 346.490 3.852 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C12CCC2 ZINC000344103246 1043258270 /nfs/dbraw/zinc/25/82/70/1043258270.db2.gz VYNXYDIVUJVBQZ-WOJBJXKFSA-N 2 1 330.516 3.964 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450491 1043291490 /nfs/dbraw/zinc/29/14/90/1043291490.db2.gz XGGBZOOIJHQAMJ-IAGOWNOFSA-N 2 1 336.545 3.950 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450491 1043291501 /nfs/dbraw/zinc/29/15/01/1043291501.db2.gz XGGBZOOIJHQAMJ-IAGOWNOFSA-N 2 1 336.545 3.950 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)sc2C1 ZINC000344195942 1043396378 /nfs/dbraw/zinc/39/63/78/1043396378.db2.gz JZFSNLKKUOIWFT-OWCLPIDISA-N 2 1 333.545 3.968 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)sc2C1 ZINC000344195942 1043396387 /nfs/dbraw/zinc/39/63/87/1043396387.db2.gz JZFSNLKKUOIWFT-OWCLPIDISA-N 2 1 333.545 3.968 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000774906487 1134115081 /nfs/dbraw/zinc/11/50/81/1134115081.db2.gz BMYCHEZQUNIZJZ-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000774906487 1134115084 /nfs/dbraw/zinc/11/50/84/1134115084.db2.gz BMYCHEZQUNIZJZ-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000774906487 1134115086 /nfs/dbraw/zinc/11/50/86/1134115086.db2.gz BMYCHEZQUNIZJZ-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)cc(Br)c1 ZINC000344295308 1043610637 /nfs/dbraw/zinc/61/06/37/1043610637.db2.gz JSSWHEQFPOSNNC-INIZCTEOSA-N 2 1 341.268 3.891 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000391085253 1043816325 /nfs/dbraw/zinc/81/63/25/1043816325.db2.gz QPYQENPISNETEL-IIAWOOMASA-N 2 1 326.431 3.681 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000391085253 1043816342 /nfs/dbraw/zinc/81/63/42/1043816342.db2.gz QPYQENPISNETEL-IIAWOOMASA-N 2 1 326.431 3.681 20 0 EHADMP Fc1ccccc1Oc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000279565025 1044236006 /nfs/dbraw/zinc/23/60/06/1044236006.db2.gz SFDRHACKOVTXTH-DLBZAZTESA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000279565025 1044236019 /nfs/dbraw/zinc/23/60/19/1044236019.db2.gz SFDRHACKOVTXTH-DLBZAZTESA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000279565025 1044236037 /nfs/dbraw/zinc/23/60/37/1044236037.db2.gz SFDRHACKOVTXTH-DLBZAZTESA-N 2 1 341.430 3.729 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344683933 1044286719 /nfs/dbraw/zinc/28/67/19/1044286719.db2.gz PCTSPULXTWSWSN-BXUZGUMPSA-N 2 1 343.334 3.743 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344683933 1044286731 /nfs/dbraw/zinc/28/67/31/1044286731.db2.gz PCTSPULXTWSWSN-BXUZGUMPSA-N 2 1 343.334 3.743 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512272127 1044492005 /nfs/dbraw/zinc/49/20/05/1044492005.db2.gz XHOVJRDJHVUNJO-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512272127 1044492008 /nfs/dbraw/zinc/49/20/08/1044492008.db2.gz XHOVJRDJHVUNJO-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512272127 1044492012 /nfs/dbraw/zinc/49/20/12/1044492012.db2.gz XHOVJRDJHVUNJO-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512272127 1044492016 /nfs/dbraw/zinc/49/20/16/1044492016.db2.gz XHOVJRDJHVUNJO-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000155041324 1125778899 /nfs/dbraw/zinc/77/88/99/1125778899.db2.gz KLRULSUVLJSOIW-AVRDEDQJSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301148 1126885374 /nfs/dbraw/zinc/88/53/74/1126885374.db2.gz HRQDJWUNZIWLBE-UWJYYQICSA-N 2 1 348.494 3.606 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301148 1126885379 /nfs/dbraw/zinc/88/53/79/1126885379.db2.gz HRQDJWUNZIWLBE-UWJYYQICSA-N 2 1 348.494 3.606 20 0 EHADMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000192623758 1126925321 /nfs/dbraw/zinc/92/53/21/1126925321.db2.gz INFXXRNFCPHNDH-IRXDYDNUSA-N 2 1 346.519 3.528 20 0 EHADMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000192623758 1126925324 /nfs/dbraw/zinc/92/53/24/1126925324.db2.gz INFXXRNFCPHNDH-IRXDYDNUSA-N 2 1 346.519 3.528 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1(C)C ZINC000623357405 1126929096 /nfs/dbraw/zinc/92/90/96/1126929096.db2.gz NDSPDIVAFUZQRJ-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1(C)C ZINC000623357405 1126929098 /nfs/dbraw/zinc/92/90/98/1126929098.db2.gz NDSPDIVAFUZQRJ-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)CC1(C)C ZINC000623380092 1126940154 /nfs/dbraw/zinc/94/01/54/1126940154.db2.gz SBJFEEMFWYFDGW-ZDUSSCGKSA-N 2 1 343.284 3.593 20 0 EHADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177386223 1126982151 /nfs/dbraw/zinc/98/21/51/1126982151.db2.gz FAADKGPCGWBFOK-IBGZPJMESA-N 2 1 337.939 3.749 20 0 EHADMP FC(F)(F)c1sccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000623575218 1126989438 /nfs/dbraw/zinc/98/94/38/1126989438.db2.gz PYYZJFOKCKAPLV-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1sccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000623575218 1126989440 /nfs/dbraw/zinc/98/94/40/1126989440.db2.gz PYYZJFOKCKAPLV-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560770 1126985559 /nfs/dbraw/zinc/98/55/59/1126985559.db2.gz RMOIKMRPWZTCMD-CQSZACIVSA-N 2 1 325.294 3.720 20 0 EHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178041407 1127004825 /nfs/dbraw/zinc/00/48/25/1127004825.db2.gz YIFJXODWBVCNAP-OKZBNKHCSA-N 2 1 336.495 3.626 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757081 1127115762 /nfs/dbraw/zinc/11/57/62/1127115762.db2.gz NRQIAICQVMWOFV-GJZGRUSLSA-N 2 1 339.886 3.520 20 0 EHADMP CCCC1CCC(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000180074380 1127117797 /nfs/dbraw/zinc/11/77/97/1127117797.db2.gz JMCFHEKZQUPOMH-XVAXZDLZSA-N 2 1 335.580 3.695 20 0 EHADMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n(C2CCC2)n1 ZINC000921507234 1127125942 /nfs/dbraw/zinc/12/59/42/1127125942.db2.gz RTRUQPMWXUFPSQ-UHFFFAOYSA-N 2 1 338.499 3.884 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000623898853 1127208945 /nfs/dbraw/zinc/20/89/45/1127208945.db2.gz SZLMMWNLHJNHTE-MDZLAQPJSA-N 2 1 349.828 3.757 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000623898853 1127208947 /nfs/dbraw/zinc/20/89/47/1127208947.db2.gz SZLMMWNLHJNHTE-MDZLAQPJSA-N 2 1 349.828 3.757 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123692 1127256409 /nfs/dbraw/zinc/25/64/09/1127256409.db2.gz QQLRMGTZYGFSTJ-QKLQHJQFSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@H+]1CCCC[C@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624123751 1127256851 /nfs/dbraw/zinc/25/68/51/1127256851.db2.gz RXMDWLHVACNMOU-GOSISDBHSA-N 2 1 337.596 3.987 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624123751 1127256854 /nfs/dbraw/zinc/25/68/54/1127256854.db2.gz RXMDWLHVACNMOU-GOSISDBHSA-N 3 1 337.596 3.987 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624123751 1127256857 /nfs/dbraw/zinc/25/68/57/1127256857.db2.gz RXMDWLHVACNMOU-GOSISDBHSA-N 3 1 337.596 3.987 20 0 EHADMP C[N@H+]1CCCC[C@@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624123755 1127256964 /nfs/dbraw/zinc/25/69/64/1127256964.db2.gz RXMDWLHVACNMOU-SFHVURJKSA-N 2 1 337.596 3.987 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624123755 1127256967 /nfs/dbraw/zinc/25/69/67/1127256967.db2.gz RXMDWLHVACNMOU-SFHVURJKSA-N 3 1 337.596 3.987 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624123755 1127256969 /nfs/dbraw/zinc/25/69/69/1127256969.db2.gz RXMDWLHVACNMOU-SFHVURJKSA-N 3 1 337.596 3.987 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123273 1127257232 /nfs/dbraw/zinc/25/72/32/1127257232.db2.gz IWEQHGJCGBDNET-YLJYHZDGSA-N 2 1 338.499 3.571 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123273 1127257236 /nfs/dbraw/zinc/25/72/36/1127257236.db2.gz IWEQHGJCGBDNET-YLJYHZDGSA-N 2 1 338.499 3.571 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[NH+]1CCCCC1 ZINC000184500595 1127406692 /nfs/dbraw/zinc/40/66/92/1127406692.db2.gz WVTLUKPPIKZACI-OALUTQOASA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]1[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000368490094 1127416275 /nfs/dbraw/zinc/41/62/75/1127416275.db2.gz KGESBSWRIQVOOV-YLJYHZDGSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000368490094 1127416277 /nfs/dbraw/zinc/41/62/77/1127416277.db2.gz KGESBSWRIQVOOV-YLJYHZDGSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnn(-c2ccccc2)c1 ZINC000325344188 1127471237 /nfs/dbraw/zinc/47/12/37/1127471237.db2.gz DCWGHBJQXXDNLJ-SFHVURJKSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000764774722 1127532487 /nfs/dbraw/zinc/53/24/87/1127532487.db2.gz QYZXWJNJEGXADV-MRXNPFEDSA-N 2 1 330.447 3.646 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166269266 1128102865 /nfs/dbraw/zinc/10/28/65/1128102865.db2.gz SHSMLUYWAGUDLE-ZWKOTPCHSA-N 2 1 328.500 3.723 20 0 EHADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168602837 1128284411 /nfs/dbraw/zinc/28/44/11/1128284411.db2.gz VMTQAGKEZFWDSE-ZFORQUDYSA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168602837 1128284413 /nfs/dbraw/zinc/28/44/13/1128284413.db2.gz VMTQAGKEZFWDSE-ZFORQUDYSA-N 2 1 344.499 3.520 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000069754085 1128291534 /nfs/dbraw/zinc/29/15/34/1128291534.db2.gz QUSBZQRJQVULSV-UHFFFAOYSA-N 2 1 335.451 3.950 20 0 EHADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-c2ccccc2)c1 ZINC000765793222 1128370582 /nfs/dbraw/zinc/37/05/82/1128370582.db2.gz WMSCBPWMSGZTAI-MTNREXPMSA-N 2 1 336.479 3.867 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657604 1128452625 /nfs/dbraw/zinc/45/26/25/1128452625.db2.gz VIWYOYXMBXMSCC-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657604 1128452627 /nfs/dbraw/zinc/45/26/27/1128452627.db2.gz VIWYOYXMBXMSCC-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Fc1cccc(Oc2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)c1 ZINC000166414415 1128460693 /nfs/dbraw/zinc/46/06/93/1128460693.db2.gz DUBSWLKNRRECCW-ZWKOTPCHSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)c1 ZINC000166414415 1128460695 /nfs/dbraw/zinc/46/06/95/1128460695.db2.gz DUBSWLKNRRECCW-ZWKOTPCHSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)c1 ZINC000166414415 1128460698 /nfs/dbraw/zinc/46/06/98/1128460698.db2.gz DUBSWLKNRRECCW-ZWKOTPCHSA-N 2 1 341.430 3.729 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001648816909 1120048572 /nfs/dbraw/zinc/04/85/72/1120048572.db2.gz MSXJARVTJMOFRN-SFHVURJKSA-N 2 1 346.515 3.982 20 0 EHADMP C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000186680901 1120470453 /nfs/dbraw/zinc/47/04/53/1120470453.db2.gz MGJYQOOGHLQSQQ-CQSZACIVSA-N 2 1 340.870 3.584 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccnn1-c1ccccc1)[NH+]1CCCCC1 ZINC000467387822 1120744447 /nfs/dbraw/zinc/74/44/47/1120744447.db2.gz DJSQMGGERRXBPS-ROUUACIJSA-N 2 1 326.488 3.787 20 0 EHADMP CCO[C@@H](C)c1nc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000076726855 1128944804 /nfs/dbraw/zinc/94/48/04/1128944804.db2.gz VWWSWASQEGEXOU-HNNXBMFYSA-N 2 1 339.549 3.793 20 0 EHADMP CC[N@@H+](C/C=C\c1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494980050 1120922081 /nfs/dbraw/zinc/92/20/81/1120922081.db2.gz ZRUBGWINLQNBOW-NOUOYNBVSA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C\c1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494980050 1120922082 /nfs/dbraw/zinc/92/20/82/1120922082.db2.gz ZRUBGWINLQNBOW-NOUOYNBVSA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C\c1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494980050 1120922083 /nfs/dbraw/zinc/92/20/83/1120922083.db2.gz ZRUBGWINLQNBOW-NOUOYNBVSA-N 2 1 335.495 3.939 20 0 EHADMP Brc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250258265 1120959628 /nfs/dbraw/zinc/95/96/28/1120959628.db2.gz RVKOFRREORUIMA-STCOUPBVSA-N 2 1 349.316 3.912 20 0 EHADMP CC1(C)CC([NH2+]Cc2ccccc2OC(F)(F)F)CC(C)(C)[NH2+]1 ZINC000236629203 1121459028 /nfs/dbraw/zinc/45/90/28/1121459028.db2.gz FXVICKQHJXUADN-UHFFFAOYSA-N 2 1 330.394 3.984 20 0 EHADMP C[C@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000670265025 1121875272 /nfs/dbraw/zinc/87/52/72/1121875272.db2.gz FJSRUNLQBVOHHR-GOSISDBHSA-N 2 1 337.596 3.797 20 0 EHADMP C[C@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670265025 1121875278 /nfs/dbraw/zinc/87/52/78/1121875278.db2.gz FJSRUNLQBVOHHR-GOSISDBHSA-N 3 1 337.596 3.797 20 0 EHADMP C[C@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670265025 1121875294 /nfs/dbraw/zinc/87/52/94/1121875294.db2.gz FJSRUNLQBVOHHR-GOSISDBHSA-N 3 1 337.596 3.797 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000262640754 1122582063 /nfs/dbraw/zinc/58/20/63/1122582063.db2.gz KIHFHKCLHIEVLL-RDJZCZTQSA-N 2 1 329.488 3.504 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000556385954 1122958336 /nfs/dbraw/zinc/95/83/36/1122958336.db2.gz LUTJGVMXHAMDGF-ZDUSSCGKSA-N 2 1 335.904 3.895 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000556385954 1122958338 /nfs/dbraw/zinc/95/83/38/1122958338.db2.gz LUTJGVMXHAMDGF-ZDUSSCGKSA-N 2 1 335.904 3.895 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000072737975 1123151305 /nfs/dbraw/zinc/15/13/05/1123151305.db2.gz VUQBNXJUFOKHFP-GFCCVEGCSA-N 2 1 336.277 3.688 20 0 EHADMP CCOC1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000691205558 1123164898 /nfs/dbraw/zinc/16/48/98/1123164898.db2.gz OJRIKENJSQJZRE-XVAXZDLZSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000556886385 1123166563 /nfs/dbraw/zinc/16/65/63/1123166563.db2.gz LYZZOCBJGSEHSF-KMKNWIINSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C)c1OC(F)F ZINC000556897041 1123182080 /nfs/dbraw/zinc/18/20/80/1123182080.db2.gz GGRHZPSBTMPRAS-INIZCTEOSA-N 2 1 338.442 3.823 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C)c1OC(F)F ZINC000556897041 1123182084 /nfs/dbraw/zinc/18/20/84/1123182084.db2.gz GGRHZPSBTMPRAS-INIZCTEOSA-N 2 1 338.442 3.823 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCC1 ZINC000132579167 1123251613 /nfs/dbraw/zinc/25/16/13/1123251613.db2.gz JXBHUVJILVYROY-CZUORRHYSA-N 2 1 341.421 3.799 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3ccc(C)cn23)CC1 ZINC000134177575 1123498094 /nfs/dbraw/zinc/49/80/94/1123498094.db2.gz JDFFNSSWQHPGHK-UHFFFAOYSA-N 2 1 328.504 3.587 20 0 EHADMP c1ccc(CCOCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134925019 1123565214 /nfs/dbraw/zinc/56/52/14/1123565214.db2.gz GHEBYEUQQXSARC-IRLDBZIGSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134925019 1123565219 /nfs/dbraw/zinc/56/52/19/1123565219.db2.gz GHEBYEUQQXSARC-IRLDBZIGSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134925019 1123565222 /nfs/dbraw/zinc/56/52/22/1123565222.db2.gz GHEBYEUQQXSARC-IRLDBZIGSA-N 2 1 342.527 3.585 20 0 EHADMP Clc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000137071594 1123748702 /nfs/dbraw/zinc/74/87/02/1123748702.db2.gz PWHNQCJJEZZRQO-UHFFFAOYSA-N 2 1 343.696 3.819 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000246497326 1124487818 /nfs/dbraw/zinc/48/78/18/1124487818.db2.gz SJHZZXLJVJMSHJ-SJORKVTESA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000246497326 1124487820 /nfs/dbraw/zinc/48/78/20/1124487820.db2.gz SJHZZXLJVJMSHJ-SJORKVTESA-N 2 1 334.504 3.722 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@@H](C)C1 ZINC000246819539 1124552433 /nfs/dbraw/zinc/55/24/33/1124552433.db2.gz BCBWLEWMEGLHGX-KXBFYZLASA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@@H](C)C1 ZINC000246819539 1124552441 /nfs/dbraw/zinc/55/24/41/1124552441.db2.gz BCBWLEWMEGLHGX-KXBFYZLASA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000247132680 1124590137 /nfs/dbraw/zinc/59/01/37/1124590137.db2.gz VPYZDUVSIWJIOC-LRDDRELGSA-N 2 1 330.394 3.534 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000247132680 1124590143 /nfs/dbraw/zinc/59/01/43/1124590143.db2.gz VPYZDUVSIWJIOC-LRDDRELGSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2sc3ccccc3c2Br)C1 ZINC001236615054 1124604888 /nfs/dbraw/zinc/60/48/88/1124604888.db2.gz DDDXVFULRGHYEP-OAHLLOKOSA-N 2 1 339.302 3.835 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2sc3ccccc3c2Br)C1 ZINC001236615054 1124604893 /nfs/dbraw/zinc/60/48/93/1124604893.db2.gz DDDXVFULRGHYEP-OAHLLOKOSA-N 2 1 339.302 3.835 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000248043599 1124636361 /nfs/dbraw/zinc/63/63/61/1124636361.db2.gz UKBRVKOQKHEFGH-CEXWTWQISA-N 2 1 349.588 3.841 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248572432 1124675121 /nfs/dbraw/zinc/67/51/21/1124675121.db2.gz MLJUCXRXTAJLPC-BZSNNMDCSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248572432 1124675125 /nfs/dbraw/zinc/67/51/25/1124675125.db2.gz MLJUCXRXTAJLPC-BZSNNMDCSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248572432 1124675131 /nfs/dbraw/zinc/67/51/31/1124675131.db2.gz MLJUCXRXTAJLPC-BZSNNMDCSA-N 2 1 343.515 3.565 20 0 EHADMP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000522017917 1124721081 /nfs/dbraw/zinc/72/10/81/1124721081.db2.gz MTXQTBNHWZIRJC-IFMALSPDSA-N 2 1 337.511 3.938 20 0 EHADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000522017917 1124721084 /nfs/dbraw/zinc/72/10/84/1124721084.db2.gz MTXQTBNHWZIRJC-IFMALSPDSA-N 2 1 337.511 3.938 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449079300 1124942724 /nfs/dbraw/zinc/94/27/24/1124942724.db2.gz OIRLLCSJJAIXFL-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449079300 1124942728 /nfs/dbraw/zinc/94/27/28/1124942728.db2.gz OIRLLCSJJAIXFL-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082767 1124943630 /nfs/dbraw/zinc/94/36/30/1124943630.db2.gz PUHFKXVKWVSHDI-IAGOWNOFSA-N 2 1 341.474 3.988 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000253296656 1125138197 /nfs/dbraw/zinc/13/81/97/1125138197.db2.gz TWGUOMLVAVOWMB-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000253296656 1125138201 /nfs/dbraw/zinc/13/82/01/1125138201.db2.gz TWGUOMLVAVOWMB-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000253296656 1125138204 /nfs/dbraw/zinc/13/82/04/1125138204.db2.gz TWGUOMLVAVOWMB-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336883 1125228244 /nfs/dbraw/zinc/22/82/44/1125228244.db2.gz RTNJMKBLYCDASV-FQEVSTJZSA-N 2 1 348.490 3.916 20 0 EHADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336883 1125228250 /nfs/dbraw/zinc/22/82/50/1125228250.db2.gz RTNJMKBLYCDASV-FQEVSTJZSA-N 2 1 348.490 3.916 20 0 EHADMP C[NH+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336883 1125228256 /nfs/dbraw/zinc/22/82/56/1125228256.db2.gz RTNJMKBLYCDASV-FQEVSTJZSA-N 2 1 348.490 3.916 20 0 EHADMP C[NH+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336883 1125228260 /nfs/dbraw/zinc/22/82/60/1125228260.db2.gz RTNJMKBLYCDASV-FQEVSTJZSA-N 2 1 348.490 3.916 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742293 1125298809 /nfs/dbraw/zinc/29/88/09/1125298809.db2.gz CIPJYRLCYNAXQK-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742293 1125298813 /nfs/dbraw/zinc/29/88/13/1125298813.db2.gz CIPJYRLCYNAXQK-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742293 1125298817 /nfs/dbraw/zinc/29/88/17/1125298817.db2.gz CIPJYRLCYNAXQK-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742293 1125298822 /nfs/dbraw/zinc/29/88/22/1125298822.db2.gz CIPJYRLCYNAXQK-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000543202129 1129334980 /nfs/dbraw/zinc/33/49/80/1129334980.db2.gz BHAONKFOQGFOBY-GOSISDBHSA-N 2 1 338.536 3.696 20 0 EHADMP CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000543202129 1129334983 /nfs/dbraw/zinc/33/49/83/1129334983.db2.gz BHAONKFOQGFOBY-GOSISDBHSA-N 2 1 338.536 3.696 20 0 EHADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922730912 1129646258 /nfs/dbraw/zinc/64/62/58/1129646258.db2.gz ZDTVJRMODGYXKT-YESZJQIVSA-N 2 1 338.417 3.972 20 0 EHADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922730912 1129646259 /nfs/dbraw/zinc/64/62/59/1129646259.db2.gz ZDTVJRMODGYXKT-YESZJQIVSA-N 2 1 338.417 3.972 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429017538 1129702960 /nfs/dbraw/zinc/70/29/60/1129702960.db2.gz FSTFKLURMVKVGL-BBRMVZONSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429017538 1129702962 /nfs/dbraw/zinc/70/29/62/1129702962.db2.gz FSTFKLURMVKVGL-BBRMVZONSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429017538 1129702964 /nfs/dbraw/zinc/70/29/64/1129702964.db2.gz FSTFKLURMVKVGL-BBRMVZONSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429017538 1129702967 /nfs/dbraw/zinc/70/29/67/1129702967.db2.gz FSTFKLURMVKVGL-BBRMVZONSA-N 2 1 328.378 3.674 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664113 1129712887 /nfs/dbraw/zinc/71/28/87/1129712887.db2.gz MKFXJUWTCJONLA-AQNXPRMDSA-N 2 1 330.516 3.834 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664113 1129712890 /nfs/dbraw/zinc/71/28/90/1129712890.db2.gz MKFXJUWTCJONLA-AQNXPRMDSA-N 2 1 330.516 3.834 20 0 EHADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000310784255 1129935093 /nfs/dbraw/zinc/93/50/93/1129935093.db2.gz CEUDBNFXZMAMIZ-QFBILLFUSA-N 2 1 342.458 3.835 20 0 EHADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000310784255 1129935098 /nfs/dbraw/zinc/93/50/98/1129935098.db2.gz CEUDBNFXZMAMIZ-QFBILLFUSA-N 2 1 342.458 3.835 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658141414 1130193741 /nfs/dbraw/zinc/19/37/41/1130193741.db2.gz XBXUJGSYCJZZRK-WOJBJXKFSA-N 2 1 344.524 3.946 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319760 1130381006 /nfs/dbraw/zinc/38/10/06/1130381006.db2.gz IFMZGXVTZIZKAL-VQIMIIECSA-N 2 1 338.499 3.671 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000766132559 1130381193 /nfs/dbraw/zinc/38/11/93/1130381193.db2.gz BHSNRURTWCVHBZ-NZSAHSFTSA-N 2 1 344.524 3.814 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000766132559 1130381195 /nfs/dbraw/zinc/38/11/95/1130381195.db2.gz BHSNRURTWCVHBZ-NZSAHSFTSA-N 2 1 344.524 3.814 20 0 EHADMP Brc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166685192 1130595458 /nfs/dbraw/zinc/59/54/58/1130595458.db2.gz VXBPMAZCOABUQR-HUUCEWRRSA-N 2 1 349.316 3.697 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000180121756 1131644267 /nfs/dbraw/zinc/64/42/67/1131644267.db2.gz QPTWHCBPUFAZSE-JKSUJKDBSA-N 2 1 326.488 3.943 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000180129956 1131644648 /nfs/dbraw/zinc/64/46/48/1131644648.db2.gz ZPNFMZQQGSWZIR-JKSUJKDBSA-N 2 1 326.488 3.943 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172454303 1131748433 /nfs/dbraw/zinc/74/84/33/1131748433.db2.gz KMVSJMIZPLIDHX-KRWDZBQOSA-N 2 1 336.495 3.926 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172454303 1131748437 /nfs/dbraw/zinc/74/84/37/1131748437.db2.gz KMVSJMIZPLIDHX-KRWDZBQOSA-N 2 1 336.495 3.926 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001172458430 1131750915 /nfs/dbraw/zinc/75/09/15/1131750915.db2.gz YUURBXXWKZUDKP-BDKRGJGYSA-N 2 1 344.543 3.938 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172751368 1131831574 /nfs/dbraw/zinc/83/15/74/1131831574.db2.gz WCORNQYNWSSTCN-NSHGMRRFSA-N 2 1 346.515 3.607 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172751368 1131831579 /nfs/dbraw/zinc/83/15/79/1131831579.db2.gz WCORNQYNWSSTCN-NSHGMRRFSA-N 2 1 346.515 3.607 20 0 EHADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[C@H](OC)C2)c1 ZINC001172926747 1131908300 /nfs/dbraw/zinc/90/83/00/1131908300.db2.gz CESFBWZIPVDYQR-IWFBPKFRSA-N 2 1 346.515 3.725 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173088179 1131949929 /nfs/dbraw/zinc/94/99/29/1131949929.db2.gz YLTOGSCGKPIFOP-HNKHHVNMSA-N 2 1 342.405 3.731 20 0 EHADMP CCCOC1CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173095770 1131953206 /nfs/dbraw/zinc/95/32/06/1131953206.db2.gz RVNBXJDHZNOBJY-SNXBXODESA-N 2 1 345.531 3.891 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001173084994 1131962622 /nfs/dbraw/zinc/96/26/22/1131962622.db2.gz FYELGTSYWHBJCU-ZFWWWQNUSA-N 2 1 330.394 3.590 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173084438 1131963406 /nfs/dbraw/zinc/96/34/06/1131963406.db2.gz BPRNDUHXWAJQMQ-RHSMWYFYSA-N 2 1 342.405 3.544 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001173084438 1131963412 /nfs/dbraw/zinc/96/34/12/1131963412.db2.gz BPRNDUHXWAJQMQ-RHSMWYFYSA-N 2 1 342.405 3.544 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173104625 1131967780 /nfs/dbraw/zinc/96/77/80/1131967780.db2.gz KAVZWWDTEPQDHW-HWELCPFYSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173104625 1131967783 /nfs/dbraw/zinc/96/77/83/1131967783.db2.gz KAVZWWDTEPQDHW-HWELCPFYSA-N 2 1 343.559 3.751 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC001173113219 1131970506 /nfs/dbraw/zinc/97/05/06/1131970506.db2.gz LCXMDWFJHDLSCM-UHFFFAOYSA-N 2 1 332.488 3.558 20 0 EHADMP CC[NH+](CC)C1CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001173114185 1131971368 /nfs/dbraw/zinc/97/13/68/1131971368.db2.gz ZDFDKKWBCKRMBP-UHFFFAOYSA-N 2 1 340.515 3.998 20 0 EHADMP CC[NH+](CC)C1CCC(N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173114169 1131971635 /nfs/dbraw/zinc/97/16/35/1131971635.db2.gz YGSJBUOEIHMFSM-UHFFFAOYSA-N 3 1 344.547 3.601 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@@H+]1C ZINC000743810160 1131978356 /nfs/dbraw/zinc/97/83/56/1131978356.db2.gz AOYIMMVUWHWTSZ-HOCLYGCPSA-N 2 1 340.496 3.635 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@H+]1C ZINC000743810160 1131978360 /nfs/dbraw/zinc/97/83/60/1131978360.db2.gz AOYIMMVUWHWTSZ-HOCLYGCPSA-N 2 1 340.496 3.635 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(Oc3ccccc3)CC1)C2 ZINC001173200560 1131997992 /nfs/dbraw/zinc/99/79/92/1131997992.db2.gz OWAWZSPMTAEVMW-HNUODNMFSA-N 2 1 328.500 3.982 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(Oc3ccccc3)CC1)C2 ZINC001173200560 1131998000 /nfs/dbraw/zinc/99/80/00/1131998000.db2.gz OWAWZSPMTAEVMW-HNUODNMFSA-N 2 1 328.500 3.982 20 0 EHADMP C[NH+]1CCC2(CC[N@H+](C3CCC(Oc4ccccc4)CC3)C2)CC1 ZINC001173203247 1131999514 /nfs/dbraw/zinc/99/95/14/1131999514.db2.gz MBXWKTRTWOILHV-UHFFFAOYSA-N 2 1 328.500 3.794 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001173279131 1132038759 /nfs/dbraw/zinc/03/87/59/1132038759.db2.gz GVFWPVUYBCDFQM-MJGOQNOKSA-N 2 1 332.488 3.525 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001173279131 1132038765 /nfs/dbraw/zinc/03/87/65/1132038765.db2.gz GVFWPVUYBCDFQM-MJGOQNOKSA-N 2 1 332.488 3.525 20 0 EHADMP COC(=O)CCCC[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173446701 1132078585 /nfs/dbraw/zinc/07/85/85/1132078585.db2.gz UHFZDWNJFSGMIW-ULQDDVLXSA-N 2 1 326.525 3.726 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001173448942 1132079604 /nfs/dbraw/zinc/07/96/04/1132079604.db2.gz PLBLDOJGVPMMPV-GOSISDBHSA-N 2 1 346.515 3.753 20 0 EHADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001173457654 1132081661 /nfs/dbraw/zinc/08/16/61/1132081661.db2.gz NLOJHEKOMVLJPD-QUCCMNQESA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173457654 1132081669 /nfs/dbraw/zinc/08/16/69/1132081669.db2.gz NLOJHEKOMVLJPD-QUCCMNQESA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173457654 1132081675 /nfs/dbraw/zinc/08/16/75/1132081675.db2.gz NLOJHEKOMVLJPD-QUCCMNQESA-N 2 1 346.515 3.562 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2)cc1 ZINC001206210776 1132115334 /nfs/dbraw/zinc/11/53/34/1132115334.db2.gz LLIOPGLNSYLUBA-RTWAWAEBSA-N 2 1 341.474 3.681 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2)cc1 ZINC001206210776 1132115337 /nfs/dbraw/zinc/11/53/37/1132115337.db2.gz LLIOPGLNSYLUBA-RTWAWAEBSA-N 2 1 341.474 3.681 20 0 EHADMP C[NH+](C)CCc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001174394377 1132329846 /nfs/dbraw/zinc/32/98/46/1132329846.db2.gz ILJWTWXVIORMOG-UHFFFAOYSA-N 2 1 335.495 3.992 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000385815599 1132503769 /nfs/dbraw/zinc/50/37/69/1132503769.db2.gz NYZBRFPNILFGQH-UWHLTILDSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064947 1132650037 /nfs/dbraw/zinc/65/00/37/1132650037.db2.gz CQABOKGHXZJDFV-XMSQKQJNSA-N 2 1 348.494 3.976 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064947 1132650044 /nfs/dbraw/zinc/65/00/44/1132650044.db2.gz CQABOKGHXZJDFV-XMSQKQJNSA-N 2 1 348.494 3.976 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117318 1132661566 /nfs/dbraw/zinc/66/15/66/1132661566.db2.gz YGVLYXCSRPJGMP-JYYAWHABSA-N 2 1 339.405 3.766 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3cc(C(F)(F)F)ccc31)C2 ZINC001169116280 1132661722 /nfs/dbraw/zinc/66/17/22/1132661722.db2.gz PPAHQTVCQQUIJZ-FQLMCAECSA-N 2 1 340.389 3.744 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3cc(C(F)(F)F)ccc31)C2 ZINC001169116280 1132661728 /nfs/dbraw/zinc/66/17/28/1132661728.db2.gz PPAHQTVCQQUIJZ-FQLMCAECSA-N 2 1 340.389 3.744 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3Cl)CCOCC1)C2 ZINC001169117100 1132662347 /nfs/dbraw/zinc/66/23/47/1132662347.db2.gz VRSVYOIBIVTJIO-OSYLJGHBSA-N 2 1 348.918 3.603 20 0 EHADMP COc1cccc2c1CC[C@@H](CCC[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169119361 1132663709 /nfs/dbraw/zinc/66/37/09/1132663709.db2.gz RXELAMFSYWGHTJ-AFYVEPGGSA-N 2 1 342.527 3.795 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C1)C2 ZINC001169134143 1132666516 /nfs/dbraw/zinc/66/65/16/1132666516.db2.gz QHCIKXBPFKJHGS-LXHROKJGSA-N 2 1 340.511 3.650 20 0 EHADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206003684 1132676966 /nfs/dbraw/zinc/67/69/66/1132676966.db2.gz LBRJWMFGKRBFGG-UONOGXRCSA-N 2 1 325.294 3.564 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OCc1ccc(Cl)cc13)C2 ZINC001169155369 1132680025 /nfs/dbraw/zinc/68/00/25/1132680025.db2.gz NXNFGUHYQFQSQO-PIIMJCKOSA-N 2 1 346.902 3.787 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154433 1132680541 /nfs/dbraw/zinc/68/05/41/1132680541.db2.gz QQOPTVQUYQYNTP-ZSHCYNCHSA-N 2 1 340.389 3.569 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154433 1132680546 /nfs/dbraw/zinc/68/05/46/1132680546.db2.gz QQOPTVQUYQYNTP-ZSHCYNCHSA-N 2 1 340.389 3.569 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154433 1132680549 /nfs/dbraw/zinc/68/05/49/1132680549.db2.gz QQOPTVQUYQYNTP-ZSHCYNCHSA-N 2 1 340.389 3.569 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154433 1132680553 /nfs/dbraw/zinc/68/05/53/1132680553.db2.gz QQOPTVQUYQYNTP-ZSHCYNCHSA-N 2 1 340.389 3.569 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154712 1132680790 /nfs/dbraw/zinc/68/07/90/1132680790.db2.gz SQBJEUYMDRLNPA-UIWVKPTASA-N 2 1 348.531 3.586 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154712 1132680793 /nfs/dbraw/zinc/68/07/93/1132680793.db2.gz SQBJEUYMDRLNPA-UIWVKPTASA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154712 1132680798 /nfs/dbraw/zinc/68/07/98/1132680798.db2.gz SQBJEUYMDRLNPA-UIWVKPTASA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154712 1132680802 /nfs/dbraw/zinc/68/08/02/1132680802.db2.gz SQBJEUYMDRLNPA-UIWVKPTASA-N 2 1 348.531 3.586 20 0 EHADMP C[C@H]1C[N@H+](Cc2c(F)cc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001206005066 1132710542 /nfs/dbraw/zinc/71/05/42/1132710542.db2.gz WUWRWZJYDNFAAH-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1C[N@@H+](Cc2c(F)cc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001206005066 1132710545 /nfs/dbraw/zinc/71/05/45/1132710545.db2.gz WUWRWZJYDNFAAH-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP CC(C)COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001176282579 1132890302 /nfs/dbraw/zinc/89/03/02/1132890302.db2.gz YSIZGHJCONKAKB-SFHVURJKSA-N 2 1 339.483 3.827 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610522 1132971726 /nfs/dbraw/zinc/97/17/26/1132971726.db2.gz OWAMHRBZCPGYQD-NRFANRHFSA-N 2 1 337.467 3.912 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001176610522 1132971730 /nfs/dbraw/zinc/97/17/30/1132971730.db2.gz OWAMHRBZCPGYQD-NRFANRHFSA-N 2 1 337.467 3.912 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000767416921 1132995495 /nfs/dbraw/zinc/99/54/95/1132995495.db2.gz ZFPWYYJFPGMVIR-IBGZPJMESA-N 2 1 340.515 3.799 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000767416921 1132995499 /nfs/dbraw/zinc/99/54/99/1132995499.db2.gz ZFPWYYJFPGMVIR-IBGZPJMESA-N 2 1 340.515 3.799 20 0 EHADMP C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001176820485 1133003150 /nfs/dbraw/zinc/00/31/50/1133003150.db2.gz ZOCSYVVHPICWKC-NRFANRHFSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065643 1133026700 /nfs/dbraw/zinc/02/67/00/1133026700.db2.gz CMADHIHARVXODN-QUCCMNQESA-N 2 1 329.532 3.676 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065643 1133026706 /nfs/dbraw/zinc/02/67/06/1133026706.db2.gz CMADHIHARVXODN-QUCCMNQESA-N 2 1 329.532 3.676 20 0 EHADMP COc1cc2c(cc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC001177299585 1133047991 /nfs/dbraw/zinc/04/79/91/1133047991.db2.gz WQQCSEWQYRVPFN-IAGOWNOFSA-N 2 1 346.515 3.763 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001177295004 1133048862 /nfs/dbraw/zinc/04/88/62/1133048862.db2.gz VTYSCLWSLXFLGH-QKLQHJQFSA-N 2 1 330.516 3.510 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Br)ccc1F ZINC001177912674 1133112078 /nfs/dbraw/zinc/11/20/78/1133112078.db2.gz RFYHNMYQJBWTAD-UHFFFAOYSA-N 2 1 340.240 3.663 20 0 EHADMP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2cc[nH]c(=O)c2)CCCCC1 ZINC001179521304 1133255166 /nfs/dbraw/zinc/25/51/66/1133255166.db2.gz YVQMIRTXSKJOBM-UHFFFAOYSA-N 2 1 339.483 3.712 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2cc[nH]c(=O)c2)CCCCC1 ZINC001179521304 1133255170 /nfs/dbraw/zinc/25/51/70/1133255170.db2.gz YVQMIRTXSKJOBM-UHFFFAOYSA-N 2 1 339.483 3.712 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2N2CCCCC2)C[C@@H]1C ZINC000769471610 1133298018 /nfs/dbraw/zinc/29/80/18/1133298018.db2.gz WQFQYQBIYYTENM-AZUAARDMSA-N 2 1 329.532 3.982 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)C[C@@H]1C ZINC000769471610 1133298022 /nfs/dbraw/zinc/29/80/22/1133298022.db2.gz WQFQYQBIYYTENM-AZUAARDMSA-N 2 1 329.532 3.982 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)C[C@@H]1C ZINC000769471610 1133298031 /nfs/dbraw/zinc/29/80/31/1133298031.db2.gz WQFQYQBIYYTENM-AZUAARDMSA-N 2 1 329.532 3.982 20 0 EHADMP CNc1ccc(C)cc1C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001180082529 1133327186 /nfs/dbraw/zinc/32/71/86/1133327186.db2.gz RMJDNIKWCMHLOV-UHFFFAOYSA-N 2 1 347.547 3.607 20 0 EHADMP C[C@@H](C[C@H](C)[NH2+]CC[N@H+](C)C1CCCCC1)NC(=O)OC(C)(C)C ZINC000769694844 1133330939 /nfs/dbraw/zinc/33/09/39/1133330939.db2.gz KWWCZBUCLQHIBO-HOTGVXAUSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@@H](C[C@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1)NC(=O)OC(C)(C)C ZINC000769694844 1133330944 /nfs/dbraw/zinc/33/09/44/1133330944.db2.gz KWWCZBUCLQHIBO-HOTGVXAUSA-N 2 1 341.540 3.532 20 0 EHADMP Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC001181296906 1133475938 /nfs/dbraw/zinc/47/59/38/1133475938.db2.gz GJYSYGUIMWZEJX-HKUYNNGSSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296906 1133475945 /nfs/dbraw/zinc/47/59/45/1133475945.db2.gz GJYSYGUIMWZEJX-HKUYNNGSSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296906 1133475947 /nfs/dbraw/zinc/47/59/47/1133475947.db2.gz GJYSYGUIMWZEJX-HKUYNNGSSA-N 2 1 332.451 3.954 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534530 1133498144 /nfs/dbraw/zinc/49/81/44/1133498144.db2.gz MGGRYHJRAKUGQI-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534530 1133498147 /nfs/dbraw/zinc/49/81/47/1133498147.db2.gz MGGRYHJRAKUGQI-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534530 1133498151 /nfs/dbraw/zinc/49/81/51/1133498151.db2.gz MGGRYHJRAKUGQI-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP CCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001181866821 1133542093 /nfs/dbraw/zinc/54/20/93/1133542093.db2.gz GPUDGPGDIQKCTL-GOSISDBHSA-N 2 1 331.504 3.634 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1)CC1CC1 ZINC000771476209 1133560148 /nfs/dbraw/zinc/56/01/48/1133560148.db2.gz SFVVDAXLZHPBGF-OAQYLSRUSA-N 2 1 348.506 3.693 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000774906487 1134115080 /nfs/dbraw/zinc/11/50/80/1134115080.db2.gz BMYCHEZQUNIZJZ-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001170144494 1134467547 /nfs/dbraw/zinc/46/75/47/1134467547.db2.gz KJECYNAGMCZBPL-ICSRJNTNSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@]1(C)CCC[N@@H+](CCCCCC[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000791556834 1134572837 /nfs/dbraw/zinc/57/28/37/1134572837.db2.gz PSPZXYIDWXBTHW-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CO[C@]1(C)CCC[NH+](CCCCCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000791556834 1134572839 /nfs/dbraw/zinc/57/28/39/1134572839.db2.gz PSPZXYIDWXBTHW-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CO[C@]1(C)CCC[NH+](CCCCCC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000791556834 1134572843 /nfs/dbraw/zinc/57/28/43/1134572843.db2.gz PSPZXYIDWXBTHW-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775360665 1134665530 /nfs/dbraw/zinc/66/55/30/1134665530.db2.gz AEQGHMGFIDXVLA-ZACQAIPSSA-N 2 1 328.591 3.610 20 0 EHADMP CC[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170234540 1134716716 /nfs/dbraw/zinc/71/67/16/1134716716.db2.gz ITRONZDTHBQABN-RTWAWAEBSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238982 1134719050 /nfs/dbraw/zinc/71/90/50/1134719050.db2.gz LPPHBSVZHQMFLX-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238982 1134719056 /nfs/dbraw/zinc/71/90/56/1134719056.db2.gz LPPHBSVZHQMFLX-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP C[C@H]1CSCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001191181066 1134821307 /nfs/dbraw/zinc/82/13/07/1134821307.db2.gz DHGPFIRQZFAFBW-SFHVURJKSA-N 2 1 332.557 3.769 20 0 EHADMP C[C@H]1CSCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001191181066 1134821316 /nfs/dbraw/zinc/82/13/16/1134821316.db2.gz DHGPFIRQZFAFBW-SFHVURJKSA-N 2 1 332.557 3.769 20 0 EHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001205582595 1134972963 /nfs/dbraw/zinc/97/29/63/1134972963.db2.gz XUAFBNJPSKFQHW-HNNXBMFYSA-N 2 1 327.856 3.603 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000747196984 1135113080 /nfs/dbraw/zinc/11/30/80/1135113080.db2.gz SPVVFXGUJJXVNK-UHFFFAOYSA-N 2 1 340.496 3.637 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205626828 1135117495 /nfs/dbraw/zinc/11/74/95/1135117495.db2.gz JPTZCXPAVULXRY-YPMHNXCESA-N 2 1 343.284 3.703 20 0 EHADMP CC[C@@]1(CO)CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193563629 1135152945 /nfs/dbraw/zinc/15/29/45/1135152945.db2.gz NERIJXGSNXTWHN-QFIPXVFZSA-N 2 1 344.543 3.568 20 0 EHADMP C[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC(C)(C)C1 ZINC001194042036 1135220315 /nfs/dbraw/zinc/22/03/15/1135220315.db2.gz JIBNFCANDRLTPH-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651877 1135224989 /nfs/dbraw/zinc/22/49/89/1135224989.db2.gz KZPXCRFCFUCZTE-AAEUAGOBSA-N 2 1 343.284 3.703 20 0 EHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505754 1135280407 /nfs/dbraw/zinc/28/04/07/1135280407.db2.gz UVCAACMVSRYPQL-QGZVFWFLSA-N 2 1 343.298 3.790 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505754 1135280413 /nfs/dbraw/zinc/28/04/13/1135280413.db2.gz UVCAACMVSRYPQL-QGZVFWFLSA-N 2 1 343.298 3.790 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505754 1135280415 /nfs/dbraw/zinc/28/04/15/1135280415.db2.gz UVCAACMVSRYPQL-QGZVFWFLSA-N 2 1 343.298 3.790 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505754 1135280418 /nfs/dbraw/zinc/28/04/18/1135280418.db2.gz UVCAACMVSRYPQL-QGZVFWFLSA-N 2 1 343.298 3.790 20 0 EHADMP COCC(C)(C)[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001194755427 1135318180 /nfs/dbraw/zinc/31/81/80/1135318180.db2.gz QNWGAAYYVAQSBP-UHFFFAOYSA-N 2 1 332.532 3.688 20 0 EHADMP CCOc1cccc(Cl)c1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195535731 1135437754 /nfs/dbraw/zinc/43/77/54/1135437754.db2.gz MFNVIWBDPIWTKP-UHFFFAOYSA-N 2 1 345.874 3.846 20 0 EHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC001205718052 1135452760 /nfs/dbraw/zinc/45/27/60/1135452760.db2.gz UXJTWUSCALFLNB-YOEHRIQHSA-N 2 1 339.321 3.844 20 0 EHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC001205718052 1135452763 /nfs/dbraw/zinc/45/27/63/1135452763.db2.gz UXJTWUSCALFLNB-YOEHRIQHSA-N 2 1 339.321 3.844 20 0 EHADMP C[C@@]1(C2CC2)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC001196055554 1135508293 /nfs/dbraw/zinc/50/82/93/1135508293.db2.gz DYHQPGIWRTYXTL-NRFANRHFSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@@]1(C2CC2)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC001196055554 1135508295 /nfs/dbraw/zinc/50/82/95/1135508295.db2.gz DYHQPGIWRTYXTL-NRFANRHFSA-N 2 1 328.500 3.673 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC2(Br)CC2)CC1 ZINC001196937083 1135631299 /nfs/dbraw/zinc/63/12/99/1135631299.db2.gz WMOZYVFUZWJBJY-OAHLLOKOSA-N 2 1 329.326 3.500 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC2(Br)CC2)CC1 ZINC001196937083 1135631302 /nfs/dbraw/zinc/63/13/02/1135631302.db2.gz WMOZYVFUZWJBJY-OAHLLOKOSA-N 2 1 329.326 3.500 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000809737730 1135883094 /nfs/dbraw/zinc/88/30/94/1135883094.db2.gz JBNCVFGSERUZRF-UHFFFAOYSA-N 2 1 334.467 3.770 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000809737730 1135883096 /nfs/dbraw/zinc/88/30/96/1135883096.db2.gz JBNCVFGSERUZRF-UHFFFAOYSA-N 2 1 334.467 3.770 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)CC1 ZINC000809755599 1135886530 /nfs/dbraw/zinc/88/65/30/1135886530.db2.gz MKLJJNGTRPGUMG-FQEVSTJZSA-N 2 1 341.543 3.841 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3nccs3)cc2)C1 ZINC001199320573 1135897755 /nfs/dbraw/zinc/89/77/55/1135897755.db2.gz NQBWFDXLVBWMPC-HZPDHXFCSA-N 2 1 329.513 3.911 20 0 EHADMP C[C@H](C[NH2+]Cc1cn(C)nc1C1CCCCC1)C[NH+]1CCCCC1 ZINC001199583747 1135915247 /nfs/dbraw/zinc/91/52/47/1135915247.db2.gz YXZNVVLOXJVLQT-QGZVFWFLSA-N 2 1 332.536 3.679 20 0 EHADMP CCCCC[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201730547 1136055196 /nfs/dbraw/zinc/05/51/96/1136055196.db2.gz KJONRXJAMUKTET-UHFFFAOYSA-N 2 1 327.472 3.855 20 0 EHADMP CCCCC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201730547 1136055197 /nfs/dbraw/zinc/05/51/97/1136055197.db2.gz KJONRXJAMUKTET-UHFFFAOYSA-N 2 1 327.472 3.855 20 0 EHADMP CCCCC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001201730547 1136055198 /nfs/dbraw/zinc/05/51/98/1136055198.db2.gz KJONRXJAMUKTET-UHFFFAOYSA-N 2 1 327.472 3.855 20 0 EHADMP CCCCC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001201730547 1136055200 /nfs/dbraw/zinc/05/52/00/1136055200.db2.gz KJONRXJAMUKTET-UHFFFAOYSA-N 2 1 327.472 3.855 20 0 EHADMP c1ccc(-c2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850396206 1136248491 /nfs/dbraw/zinc/24/84/91/1136248491.db2.gz HZJOYDBCMFMTCH-NRFANRHFSA-N 2 1 336.479 3.697 20 0 EHADMP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880531 1136371829 /nfs/dbraw/zinc/37/18/29/1136371829.db2.gz GPPDXCRPGLUVOK-FWZVCBSNSA-N 2 1 328.500 3.587 20 0 EHADMP COCc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000853241097 1136521719 /nfs/dbraw/zinc/52/17/19/1136521719.db2.gz ULMJGGPMMZISQQ-FUHWJXTLSA-N 2 1 346.515 3.614 20 0 EHADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000854223274 1136599093 /nfs/dbraw/zinc/59/90/93/1136599093.db2.gz SAUKTYITSKXRME-MWDXBVQZSA-N 2 1 326.406 3.843 20 0 EHADMP CCc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](CC)CC)cc1 ZINC000815631762 1136621947 /nfs/dbraw/zinc/62/19/47/1136621947.db2.gz QGMOVJZPSHYCAU-KBRMVUAJSA-N 2 1 343.559 3.847 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000429527624 1136751318 /nfs/dbraw/zinc/75/13/18/1136751318.db2.gz MXBGNVYDOQXKNR-HBFSDRIKSA-N 2 1 330.516 3.834 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000429527624 1136751320 /nfs/dbraw/zinc/75/13/20/1136751320.db2.gz MXBGNVYDOQXKNR-HBFSDRIKSA-N 2 1 330.516 3.834 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000429529595 1136756434 /nfs/dbraw/zinc/75/64/34/1136756434.db2.gz MUJHJBJBCBWQQZ-GOSISDBHSA-N 2 1 325.456 3.790 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000429529595 1136756435 /nfs/dbraw/zinc/75/64/35/1136756435.db2.gz MUJHJBJBCBWQQZ-GOSISDBHSA-N 2 1 325.456 3.790 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC3CCC3)C2)ccn1 ZINC000856605877 1136798869 /nfs/dbraw/zinc/79/88/69/1136798869.db2.gz GPABIDJNFQJLFZ-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC3CCC3)C2)ccn1 ZINC000856605877 1136798874 /nfs/dbraw/zinc/79/88/74/1136798874.db2.gz GPABIDJNFQJLFZ-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC3CCC3)C2)ccn1 ZINC000856605877 1136798878 /nfs/dbraw/zinc/79/88/78/1136798878.db2.gz GPABIDJNFQJLFZ-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000543708132 1136826969 /nfs/dbraw/zinc/82/69/69/1136826969.db2.gz BMOVOVUEXJFZEA-YQVWRLOYSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000543708132 1136826973 /nfs/dbraw/zinc/82/69/73/1136826973.db2.gz BMOVOVUEXJFZEA-YQVWRLOYSA-N 2 1 346.515 3.607 20 0 EHADMP Fc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817900422 1136844614 /nfs/dbraw/zinc/84/46/14/1136844614.db2.gz OUHMCEAXQILJKQ-VQIMIIECSA-N 2 1 346.833 3.825 20 0 EHADMP Fc1c(Cl)cccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817900418 1136844853 /nfs/dbraw/zinc/84/48/53/1136844853.db2.gz OUHMCEAXQILJKQ-QFBILLFUSA-N 2 1 346.833 3.825 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc3ccccc3nc1Cl)CC[NH2+]CC2 ZINC000818341230 1136872123 /nfs/dbraw/zinc/87/21/23/1136872123.db2.gz XHFPOVVAOPJUAK-AWEZNQCLSA-N 2 1 329.875 3.852 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000818960698 1136891240 /nfs/dbraw/zinc/89/12/40/1136891240.db2.gz GLYUKJIVZGTGBP-HXUWFJFHSA-N 2 1 348.437 3.628 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000819100040 1136908275 /nfs/dbraw/zinc/90/82/75/1136908275.db2.gz CPKBQZYTUCSCNL-SZVBFZGTSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000819100040 1136908279 /nfs/dbraw/zinc/90/82/79/1136908279.db2.gz CPKBQZYTUCSCNL-SZVBFZGTSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000819099837 1136908374 /nfs/dbraw/zinc/90/83/74/1136908374.db2.gz CPKBQZYTUCSCNL-AYBZRNKSSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000819099837 1136908378 /nfs/dbraw/zinc/90/83/78/1136908378.db2.gz CPKBQZYTUCSCNL-AYBZRNKSSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)[C@H]1c1cccs1 ZINC000819101403 1136908867 /nfs/dbraw/zinc/90/88/67/1136908867.db2.gz SWNCLKQAZIEXBX-SUMDDJOVSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)[C@H]1c1cccs1 ZINC000819101403 1136908869 /nfs/dbraw/zinc/90/88/69/1136908869.db2.gz SWNCLKQAZIEXBX-SUMDDJOVSA-N 2 1 348.487 3.593 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000857846496 1136911517 /nfs/dbraw/zinc/91/15/17/1136911517.db2.gz MMLLEYJFAAARKJ-HXUWFJFHSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857846280 1136911562 /nfs/dbraw/zinc/91/15/62/1136911562.db2.gz BFPKXLBMTIWNHM-OXQOHEQNSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857846280 1136911565 /nfs/dbraw/zinc/91/15/65/1136911565.db2.gz BFPKXLBMTIWNHM-OXQOHEQNSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857846280 1136911567 /nfs/dbraw/zinc/91/15/67/1136911567.db2.gz BFPKXLBMTIWNHM-OXQOHEQNSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857846280 1136911570 /nfs/dbraw/zinc/91/15/70/1136911570.db2.gz BFPKXLBMTIWNHM-OXQOHEQNSA-N 2 1 338.499 3.809 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000819125659 1136916753 /nfs/dbraw/zinc/91/67/53/1136916753.db2.gz GWTYJUDLXMJBOA-WIYYLYMNSA-N 2 1 326.484 3.529 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000858152849 1136944558 /nfs/dbraw/zinc/94/45/58/1136944558.db2.gz BNKJDDZIULWMOD-QFBILLFUSA-N 2 1 327.447 3.611 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000858195568 1136948591 /nfs/dbraw/zinc/94/85/91/1136948591.db2.gz WQOSYRRWOGHXSM-OKZBNKHCSA-N 2 1 338.923 3.860 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000858195569 1136948742 /nfs/dbraw/zinc/94/87/42/1136948742.db2.gz WQOSYRRWOGHXSM-SQNIBIBYSA-N 2 1 338.923 3.860 20 0 EHADMP Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000858244598 1136951829 /nfs/dbraw/zinc/95/18/29/1136951829.db2.gz DPIRFWLOLCGCDN-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Cn1nc(-c2ccccc2)c(CNC[C@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245859 1136952093 /nfs/dbraw/zinc/95/20/93/1136952093.db2.gz QFHASXIHNTYIBL-OAHLLOKOSA-N 2 1 346.906 3.562 20 0 EHADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1Cl ZINC000858245859 1136952097 /nfs/dbraw/zinc/95/20/97/1136952097.db2.gz QFHASXIHNTYIBL-OAHLLOKOSA-N 2 1 346.906 3.562 20 0 EHADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245859 1136952100 /nfs/dbraw/zinc/95/21/00/1136952100.db2.gz QFHASXIHNTYIBL-OAHLLOKOSA-N 2 1 346.906 3.562 20 0 EHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCCCO1 ZINC000858402220 1136964768 /nfs/dbraw/zinc/96/47/68/1136964768.db2.gz VVOUYGZDHQGYPD-UWJYYQICSA-N 2 1 345.531 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000824428240 1137137468 /nfs/dbraw/zinc/13/74/68/1137137468.db2.gz QEVZQTZNFOTIGS-CQXAUJBBSA-N 2 1 328.500 3.728 20 0 EHADMP CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000824836893 1137155701 /nfs/dbraw/zinc/15/57/01/1137155701.db2.gz QOUNRDNQZVYIBY-OAQYLSRUSA-N 2 1 347.466 3.670 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137028883 1137175948 /nfs/dbraw/zinc/17/59/48/1137175948.db2.gz KDIWJOCEOKWCFX-NZQKXSOJSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137028883 1137175949 /nfs/dbraw/zinc/17/59/49/1137175949.db2.gz KDIWJOCEOKWCFX-NZQKXSOJSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137028883 1137175950 /nfs/dbraw/zinc/17/59/50/1137175950.db2.gz KDIWJOCEOKWCFX-NZQKXSOJSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137028883 1137175951 /nfs/dbraw/zinc/17/59/51/1137175951.db2.gz KDIWJOCEOKWCFX-NZQKXSOJSA-N 2 1 348.490 3.671 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)c1 ZINC000863690167 1137199535 /nfs/dbraw/zinc/19/95/35/1137199535.db2.gz MDNBUNUTEXYAEE-SSKFGXFMSA-N 2 1 336.479 3.733 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(O)c4C)C[C@H]3C2)cc1 ZINC001144113191 1137239663 /nfs/dbraw/zinc/23/96/63/1137239663.db2.gz YVCCWBADJWFVCC-OYRHEFFESA-N 2 1 336.479 3.573 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(O)c4C)C[C@@H]3C2)cc1 ZINC001144113191 1137239665 /nfs/dbraw/zinc/23/96/65/1137239665.db2.gz YVCCWBADJWFVCC-OYRHEFFESA-N 2 1 336.479 3.573 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(O)c4C)C[C@@H]3C2)cc1 ZINC001144113191 1137239666 /nfs/dbraw/zinc/23/96/66/1137239666.db2.gz YVCCWBADJWFVCC-OYRHEFFESA-N 2 1 336.479 3.573 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171140129 1137240289 /nfs/dbraw/zinc/24/02/89/1137240289.db2.gz URKBBZXGNVVZMN-SWLSCSKDSA-N 2 1 327.299 3.782 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144184 1137242975 /nfs/dbraw/zinc/24/29/75/1137242975.db2.gz NVJVSYCXSIOQHK-GJZGRUSLSA-N 2 1 327.299 3.925 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865413306 1137281211 /nfs/dbraw/zinc/28/12/11/1137281211.db2.gz CFKCPLZSNGSWHI-UHFFFAOYSA-N 2 1 339.439 3.663 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865413306 1137281213 /nfs/dbraw/zinc/28/12/13/1137281213.db2.gz CFKCPLZSNGSWHI-UHFFFAOYSA-N 2 1 339.439 3.663 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171290 1137281972 /nfs/dbraw/zinc/28/19/72/1137281972.db2.gz FJAVPKXTLJYVEN-MAUKXSAKSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171290 1137281973 /nfs/dbraw/zinc/28/19/73/1137281973.db2.gz FJAVPKXTLJYVEN-MAUKXSAKSA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171290 1137281975 /nfs/dbraw/zinc/28/19/75/1137281975.db2.gz FJAVPKXTLJYVEN-MAUKXSAKSA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171290 1137281976 /nfs/dbraw/zinc/28/19/76/1137281976.db2.gz FJAVPKXTLJYVEN-MAUKXSAKSA-N 2 1 339.310 3.878 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257051 1137340051 /nfs/dbraw/zinc/34/00/51/1137340051.db2.gz FBOODCIYLCSUMZ-IFMALSPDSA-N 2 1 337.511 3.933 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257051 1137340052 /nfs/dbraw/zinc/34/00/52/1137340052.db2.gz FBOODCIYLCSUMZ-IFMALSPDSA-N 2 1 337.511 3.933 20 0 EHADMP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000866399287 1137352068 /nfs/dbraw/zinc/35/20/68/1137352068.db2.gz REPVSAJOPRZOSJ-QZTJIDSGSA-N 2 1 325.500 3.877 20 0 EHADMP CCc1noc(C)c1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866412177 1137352673 /nfs/dbraw/zinc/35/26/73/1137352673.db2.gz APYHVMWNAILNMK-GJYPPUQNSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866412177 1137352675 /nfs/dbraw/zinc/35/26/75/1137352675.db2.gz APYHVMWNAILNMK-GJYPPUQNSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866412177 1137352677 /nfs/dbraw/zinc/35/26/77/1137352677.db2.gz APYHVMWNAILNMK-GJYPPUQNSA-N 2 1 341.499 3.964 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000866637317 1137371609 /nfs/dbraw/zinc/37/16/09/1137371609.db2.gz GATZFHUJMBOELB-YUMYIRISSA-N 2 1 342.527 3.713 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000846853658 1137372181 /nfs/dbraw/zinc/37/21/81/1137372181.db2.gz GUVBSNKJHDJYSI-TZMCWYRMSA-N 2 1 325.859 3.617 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853658 1137372183 /nfs/dbraw/zinc/37/21/83/1137372183.db2.gz GUVBSNKJHDJYSI-TZMCWYRMSA-N 2 1 325.859 3.617 20 0 EHADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702319 1137374723 /nfs/dbraw/zinc/37/47/23/1137374723.db2.gz ALJSSZGYHIJZIF-YWZLYKJASA-N 2 1 342.487 3.803 20 0 EHADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702319 1137374724 /nfs/dbraw/zinc/37/47/24/1137374724.db2.gz ALJSSZGYHIJZIF-YWZLYKJASA-N 2 1 342.487 3.803 20 0 EHADMP CC(C)(C)OC(=O)NCCCCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC001171259607 1137380471 /nfs/dbraw/zinc/38/04/71/1137380471.db2.gz XMBZXTQSJDCDJR-UHFFFAOYSA-N 2 1 341.540 3.536 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716679509 1137488209 /nfs/dbraw/zinc/48/82/09/1137488209.db2.gz DTNMNRZWVZEZQK-BVSLBCMMSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716679509 1137488210 /nfs/dbraw/zinc/48/82/10/1137488210.db2.gz DTNMNRZWVZEZQK-BVSLBCMMSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716679509 1137488212 /nfs/dbraw/zinc/48/82/12/1137488212.db2.gz DTNMNRZWVZEZQK-BVSLBCMMSA-N 3 1 341.543 3.504 20 0 EHADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716668326 1137488405 /nfs/dbraw/zinc/48/84/05/1137488405.db2.gz IVXPKDJNOLOLIW-GAZPGATBSA-N 2 1 339.483 3.995 20 0 EHADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716668326 1137488406 /nfs/dbraw/zinc/48/84/06/1137488406.db2.gz IVXPKDJNOLOLIW-GAZPGATBSA-N 2 1 339.483 3.995 20 0 EHADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171524686 1137496538 /nfs/dbraw/zinc/49/65/38/1137496538.db2.gz NBUGVQMAOZNZEG-RBSFLKMASA-N 2 1 340.433 3.942 20 0 EHADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H](C)C1 ZINC001171527543 1137496702 /nfs/dbraw/zinc/49/67/02/1137496702.db2.gz COUQGTSMHYMODO-MRRJBJDNSA-N 2 1 340.433 3.670 20 0 EHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC001171629440 1137499797 /nfs/dbraw/zinc/49/97/97/1137499797.db2.gz RCHFCAZGOQFVOG-UHFFFAOYSA-N 2 1 333.495 3.599 20 0 EHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(Cc3cccc(F)c3)CC2)CC1(C)C ZINC001171636459 1137504230 /nfs/dbraw/zinc/50/42/30/1137504230.db2.gz DWZCZWRUTRFWIC-UHFFFAOYSA-N 2 1 347.522 3.595 20 0 EHADMP Cc1cccc(N2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171642963 1137505228 /nfs/dbraw/zinc/50/52/28/1137505228.db2.gz OGLMXMWYHTWRQS-UHFFFAOYSA-N 2 1 344.547 3.554 20 0 EHADMP C[C@H]1C[C@H](N2CCC(C)([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171768837 1137509690 /nfs/dbraw/zinc/50/96/90/1137509690.db2.gz XHHJHJWMVAKEIN-FPOVZHCZSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H]1C[C@@H](n2cncc2-c2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171739326 1137510863 /nfs/dbraw/zinc/51/08/63/1137510863.db2.gz BXQIFAQDTHITCL-DYESRHJHSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@H]1C[C@@H](N2CCC([NH3+])(c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738440 1137510966 /nfs/dbraw/zinc/51/09/66/1137510966.db2.gz IZTVBHUWFVTNJO-SIKLNZKXSA-N 2 1 349.522 3.599 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171740710 1137511122 /nfs/dbraw/zinc/51/11/22/1137511122.db2.gz TXPLPVHWHVCCRB-WIYYLYMNSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742453 1137511570 /nfs/dbraw/zinc/51/15/70/1137511570.db2.gz XWMPETPMLZDGNR-MQGJPIDWSA-N 2 1 341.543 3.631 20 0 EHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786552 1137512395 /nfs/dbraw/zinc/51/23/95/1137512395.db2.gz BBPUDWPKOLBALH-OAHLLOKOSA-N 2 1 344.861 3.896 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965037 1137520381 /nfs/dbraw/zinc/52/03/81/1137520381.db2.gz NOYYVFDDBWXIDV-NHCUHLMSSA-N 2 1 338.495 3.753 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171965037 1137520382 /nfs/dbraw/zinc/52/03/82/1137520382.db2.gz NOYYVFDDBWXIDV-NHCUHLMSSA-N 2 1 338.495 3.753 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171970492 1137523634 /nfs/dbraw/zinc/52/36/34/1137523634.db2.gz CKLGPUPQSCEASP-HNNXBMFYSA-N 2 1 330.394 3.556 20 0 EHADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975507 1137524741 /nfs/dbraw/zinc/52/47/41/1137524741.db2.gz DPVBYUGADSEVSM-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975507 1137524742 /nfs/dbraw/zinc/52/47/42/1137524742.db2.gz DPVBYUGADSEVSM-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975507 1137524744 /nfs/dbraw/zinc/52/47/44/1137524744.db2.gz DPVBYUGADSEVSM-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975507 1137524746 /nfs/dbraw/zinc/52/47/46/1137524746.db2.gz DPVBYUGADSEVSM-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977928 1137525656 /nfs/dbraw/zinc/52/56/56/1137525656.db2.gz UZUIWBUVWUKAMV-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977928 1137525657 /nfs/dbraw/zinc/52/56/57/1137525657.db2.gz UZUIWBUVWUKAMV-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977928 1137525658 /nfs/dbraw/zinc/52/56/58/1137525658.db2.gz UZUIWBUVWUKAMV-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977928 1137525659 /nfs/dbraw/zinc/52/56/59/1137525659.db2.gz UZUIWBUVWUKAMV-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977475 1137525662 /nfs/dbraw/zinc/52/56/62/1137525662.db2.gz BNHNJOJZJRMBRE-ACRUOGEOSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977475 1137525664 /nfs/dbraw/zinc/52/56/64/1137525664.db2.gz BNHNJOJZJRMBRE-ACRUOGEOSA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@](F)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977996 1137525954 /nfs/dbraw/zinc/52/59/54/1137525954.db2.gz VPTSVDCSQXWWHL-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977996 1137525955 /nfs/dbraw/zinc/52/59/55/1137525955.db2.gz VPTSVDCSQXWWHL-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977996 1137525957 /nfs/dbraw/zinc/52/59/57/1137525957.db2.gz VPTSVDCSQXWWHL-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CC[N@H+]1Cc1ccccc1 ZINC001171983163 1137526486 /nfs/dbraw/zinc/52/64/86/1137526486.db2.gz NEVYWFUFRMAKKX-FQEVSTJZSA-N 3 1 341.543 3.505 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CCN1Cc1ccccc1 ZINC001171983163 1137526487 /nfs/dbraw/zinc/52/64/87/1137526487.db2.gz NEVYWFUFRMAKKX-FQEVSTJZSA-N 2 1 341.543 3.505 20 0 EHADMP CO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983168 1137526792 /nfs/dbraw/zinc/52/67/92/1137526792.db2.gz NFTJMUSECUBWQG-UFYCRDLUSA-N 2 1 330.516 3.977 20 0 EHADMP NC(=[NH2+])N(c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072370 1137530175 /nfs/dbraw/zinc/53/01/75/1137530175.db2.gz LOSNMXMWOGEJMB-AERCQKQUSA-N 2 1 348.494 3.972 20 0 EHADMP CC(C)(C)[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073641 1137530218 /nfs/dbraw/zinc/53/02/18/1137530218.db2.gz SBTXQUDTXUYCID-YRPNKDGESA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)(O)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077153 1137530334 /nfs/dbraw/zinc/53/03/34/1137530334.db2.gz PBKBWIZZRAEZMN-ACDBMABISA-N 2 1 330.516 3.713 20 0 EHADMP CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076400 1137530421 /nfs/dbraw/zinc/53/04/21/1137530421.db2.gz IRFNXOPGZWEQIR-PLACYPQZSA-N 2 1 330.516 3.569 20 0 EHADMP CCC[N@H+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078583 1137530991 /nfs/dbraw/zinc/53/09/91/1137530991.db2.gz IWVGNOKGJWYVOR-AERCQKQUSA-N 2 1 330.516 3.931 20 0 EHADMP CCC[N@@H+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078583 1137530992 /nfs/dbraw/zinc/53/09/92/1137530992.db2.gz IWVGNOKGJWYVOR-AERCQKQUSA-N 2 1 330.516 3.931 20 0 EHADMP CCC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078583 1137530993 /nfs/dbraw/zinc/53/09/93/1137530993.db2.gz IWVGNOKGJWYVOR-AERCQKQUSA-N 2 1 330.516 3.931 20 0 EHADMP CCC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078583 1137530994 /nfs/dbraw/zinc/53/09/94/1137530994.db2.gz IWVGNOKGJWYVOR-AERCQKQUSA-N 2 1 330.516 3.931 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CC2CCOCC2)C3)cc1 ZINC001172069490 1137534384 /nfs/dbraw/zinc/53/43/84/1137534384.db2.gz UGYQFOPDBZREFD-WKCHPHFGSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067560 1137534583 /nfs/dbraw/zinc/53/45/83/1137534583.db2.gz GRNKLOFTNOWMLJ-KPACCLEDSA-N 2 1 328.500 3.729 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128023 1137534871 /nfs/dbraw/zinc/53/48/71/1137534871.db2.gz NPPJPQIDLBKFHS-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128023 1137534872 /nfs/dbraw/zinc/53/48/72/1137534872.db2.gz NPPJPQIDLBKFHS-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172128023 1137534874 /nfs/dbraw/zinc/53/48/74/1137534874.db2.gz NPPJPQIDLBKFHS-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172128023 1137534875 /nfs/dbraw/zinc/53/48/75/1137534875.db2.gz NPPJPQIDLBKFHS-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1CC[NH2+]C3)C2 ZINC001172128803 1137535497 /nfs/dbraw/zinc/53/54/97/1137535497.db2.gz UJZOTGXAECNNBZ-MUJYYYPQSA-N 2 1 327.447 3.614 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128898 1137535654 /nfs/dbraw/zinc/53/56/54/1137535654.db2.gz VNTHOBUIDBBOHD-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128898 1137535655 /nfs/dbraw/zinc/53/56/55/1137535655.db2.gz VNTHOBUIDBBOHD-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128898 1137535657 /nfs/dbraw/zinc/53/56/57/1137535657.db2.gz VNTHOBUIDBBOHD-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128898 1137535659 /nfs/dbraw/zinc/53/56/59/1137535659.db2.gz VNTHOBUIDBBOHD-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172112045 1137537845 /nfs/dbraw/zinc/53/78/45/1137537845.db2.gz ZQJUJYRPMDSYEA-MZADTFQBSA-N 2 1 341.543 3.646 20 0 EHADMP COc1ccc2cccc(CC[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001172116286 1137538106 /nfs/dbraw/zinc/53/81/06/1137538106.db2.gz GRCFUEPKNGONMC-ACDBMABISA-N 2 1 338.495 3.996 20 0 EHADMP COc1ccccc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120094 1137538496 /nfs/dbraw/zinc/53/84/96/1137538496.db2.gz CGSMFBOIUABBLV-MANSERQUSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120094 1137538497 /nfs/dbraw/zinc/53/84/97/1137538497.db2.gz CGSMFBOIUABBLV-MANSERQUSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120094 1137538499 /nfs/dbraw/zinc/53/84/99/1137538499.db2.gz CGSMFBOIUABBLV-MANSERQUSA-N 2 1 344.499 3.554 20 0 EHADMP Cc1ccccc1C[N@H+](C1C[C@@H]2C=C[C@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172235426 1137543889 /nfs/dbraw/zinc/54/38/89/1137543889.db2.gz GIASLDUECFZGOQ-YRMMNHGISA-N 2 1 326.484 3.553 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC001172254490 1137544982 /nfs/dbraw/zinc/54/49/82/1137544982.db2.gz NVQJFNJPJCAITB-IBGZPJMESA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC001172254490 1137544983 /nfs/dbraw/zinc/54/49/83/1137544983.db2.gz NVQJFNJPJCAITB-IBGZPJMESA-N 2 1 336.907 3.978 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001172337988 1137551818 /nfs/dbraw/zinc/55/18/18/1137551818.db2.gz XOLZNXGHFGNLRC-SJORKVTESA-N 2 1 334.504 3.539 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCOC1 ZINC000872025223 1137565740 /nfs/dbraw/zinc/56/57/40/1137565740.db2.gz IMDVXOGVNWDGIK-FPOVZHCZSA-N 2 1 330.516 3.754 20 0 EHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC000872033980 1137566679 /nfs/dbraw/zinc/56/66/79/1137566679.db2.gz DXMBEYVECDFRBS-HGHNDWQTSA-N 2 1 342.527 3.977 20 0 EHADMP CC1(C)CO[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000872106175 1137571348 /nfs/dbraw/zinc/57/13/48/1137571348.db2.gz OJQSHRCKKANSCS-HAGHYFMRSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)CO[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106847 1137571537 /nfs/dbraw/zinc/57/15/37/1137571537.db2.gz VQNZSPYDFKNTLG-OALUTQOASA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)CO[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106847 1137571538 /nfs/dbraw/zinc/57/15/38/1137571538.db2.gz VQNZSPYDFKNTLG-OALUTQOASA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4oc(=O)[nH]c4c3)CC2)C1 ZINC000872123918 1137572808 /nfs/dbraw/zinc/57/28/08/1137572808.db2.gz XYLFQYHBNVIONH-PBHICJAKSA-N 2 1 343.471 3.666 20 0 EHADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872154907 1137573975 /nfs/dbraw/zinc/57/39/75/1137573975.db2.gz DVLKBFPLPOTSGB-GFCCVEGCSA-N 2 1 346.302 3.771 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158613 1137574524 /nfs/dbraw/zinc/57/45/24/1137574524.db2.gz WHXLLJVUZGLCFC-WIYYLYMNSA-N 2 1 343.515 3.765 20 0 EHADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231954 1137594501 /nfs/dbraw/zinc/59/45/01/1137594501.db2.gz HHTBVCMKOXGEOM-XLIONFOSSA-N 2 1 343.515 3.765 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000876932896 1137665558 /nfs/dbraw/zinc/66/55/58/1137665558.db2.gz YWQXMIBKWAIRSN-HNNXBMFYSA-N 2 1 344.890 3.794 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000876932896 1137665559 /nfs/dbraw/zinc/66/55/59/1137665559.db2.gz YWQXMIBKWAIRSN-HNNXBMFYSA-N 2 1 344.890 3.794 20 0 EHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000876930456 1137665655 /nfs/dbraw/zinc/66/56/55/1137665655.db2.gz XCGHXLLWQHAAFR-INIZCTEOSA-N 2 1 345.487 3.608 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000876941331 1137665944 /nfs/dbraw/zinc/66/59/44/1137665944.db2.gz KLZCYFDKZKNZPE-HNNXBMFYSA-N 2 1 327.299 3.743 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876964128 1137666378 /nfs/dbraw/zinc/66/63/78/1137666378.db2.gz TUEJJQQNAAJIDB-MCFFVMPBSA-N 2 1 332.469 3.810 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000876964128 1137666379 /nfs/dbraw/zinc/66/63/79/1137666379.db2.gz TUEJJQQNAAJIDB-MCFFVMPBSA-N 2 1 332.469 3.810 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876988645 1137666969 /nfs/dbraw/zinc/66/69/69/1137666969.db2.gz JQLBCBIZMNAZKD-CQSZACIVSA-N 2 1 349.931 3.986 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988645 1137666970 /nfs/dbraw/zinc/66/69/70/1137666970.db2.gz JQLBCBIZMNAZKD-CQSZACIVSA-N 2 1 349.931 3.986 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877073430 1137669610 /nfs/dbraw/zinc/66/96/10/1137669610.db2.gz KDRRNROTDDJFON-SEIRJHJZSA-N 2 1 341.543 3.817 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877073430 1137669611 /nfs/dbraw/zinc/66/96/11/1137669611.db2.gz KDRRNROTDDJFON-SEIRJHJZSA-N 2 1 341.543 3.817 20 0 EHADMP Cc1ncc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877115606 1137670539 /nfs/dbraw/zinc/67/05/39/1137670539.db2.gz QKGSPVYBKNXNBD-PXNSSMCTSA-N 2 1 341.524 3.952 20 0 EHADMP Cc1ncc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877115606 1137670540 /nfs/dbraw/zinc/67/05/40/1137670540.db2.gz QKGSPVYBKNXNBD-PXNSSMCTSA-N 2 1 341.524 3.952 20 0 EHADMP CO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000877546540 1137680861 /nfs/dbraw/zinc/68/08/61/1137680861.db2.gz KSDUOXJCKRYXRZ-OTYNDTSQSA-N 2 1 328.500 3.587 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000717136171 1137808617 /nfs/dbraw/zinc/80/86/17/1137808617.db2.gz LOPZLXDFVOCWSD-HXUWFJFHSA-N 2 1 328.500 3.732 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC1 ZINC000883384694 1137858722 /nfs/dbraw/zinc/85/87/22/1137858722.db2.gz XBXWSJMOIBVIIK-IBGZPJMESA-N 2 1 344.499 3.522 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429145 1137860326 /nfs/dbraw/zinc/86/03/26/1137860326.db2.gz MUONVGGOISAMPY-BURNTYAHSA-N 2 1 328.500 3.618 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429147 1137860418 /nfs/dbraw/zinc/86/04/18/1137860418.db2.gz MUONVGGOISAMPY-NCYKPQTJSA-N 2 1 328.500 3.618 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434423 1137860518 /nfs/dbraw/zinc/86/05/18/1137860518.db2.gz QXTOOFYMLRNNHP-HOJAQTOUSA-N 2 1 328.500 3.761 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229102 1137875604 /nfs/dbraw/zinc/87/56/04/1137875604.db2.gz YRXXZAHJQXZLNL-HXUWFJFHSA-N 2 1 343.515 3.733 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229102 1137875605 /nfs/dbraw/zinc/87/56/05/1137875605.db2.gz YRXXZAHJQXZLNL-HXUWFJFHSA-N 2 1 343.515 3.733 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884176865 1137922357 /nfs/dbraw/zinc/92/23/57/1137922357.db2.gz SEWKYLOFUFMNCJ-GOSISDBHSA-N 2 1 329.488 3.517 20 0 EHADMP NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000332530339 1137946351 /nfs/dbraw/zinc/94/63/51/1137946351.db2.gz PTEGEEKRKJCRGR-LPHOPBHVSA-N 2 1 347.478 3.516 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000886036287 1138034304 /nfs/dbraw/zinc/03/43/04/1138034304.db2.gz YDGDYTDQCZJEHF-IRLDBZIGSA-N 2 1 347.591 3.551 20 0 EHADMP C[N@H+](CC[C@@H]1C[C@H]1C1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000886036287 1138034305 /nfs/dbraw/zinc/03/43/05/1138034305.db2.gz YDGDYTDQCZJEHF-IRLDBZIGSA-N 3 1 347.591 3.551 20 0 EHADMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000886036287 1138034307 /nfs/dbraw/zinc/03/43/07/1138034307.db2.gz YDGDYTDQCZJEHF-IRLDBZIGSA-N 3 1 347.591 3.551 20 0 EHADMP C[C@H]1C[N@@H+](CCCc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981796 1138065247 /nfs/dbraw/zinc/06/52/47/1138065247.db2.gz HEOWWKJWPIOVBX-HOCLYGCPSA-N 2 1 339.321 3.689 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000348401361 1138187422 /nfs/dbraw/zinc/18/74/22/1138187422.db2.gz BCDSCRZPGZRCSS-IERDGZPVSA-N 2 1 338.499 3.848 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)CSc2ccccc2OC)[C@H](C)C1 ZINC000089515542 1138200553 /nfs/dbraw/zinc/20/05/53/1138200553.db2.gz SWCBGLGLUHOKRL-BRWVUGGUSA-N 2 1 336.545 3.743 20 0 EHADMP Cc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000092821185 1138232083 /nfs/dbraw/zinc/23/20/83/1138232083.db2.gz VOMPIHCDSRTPGK-UHFFFAOYSA-N 2 1 344.528 3.893 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000122288982 1138256506 /nfs/dbraw/zinc/25/65/06/1138256506.db2.gz MTBUSQAPMVBSMZ-CQSZACIVSA-N 2 1 334.410 3.756 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000123266925 1138268192 /nfs/dbraw/zinc/26/81/92/1138268192.db2.gz YBMSOCNDJSGKJN-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000124035772 1138278311 /nfs/dbraw/zinc/27/83/11/1138278311.db2.gz AFGNFKPFWKBBBW-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000124035772 1138278313 /nfs/dbraw/zinc/27/83/13/1138278313.db2.gz AFGNFKPFWKBBBW-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035772 1138278314 /nfs/dbraw/zinc/27/83/14/1138278314.db2.gz AFGNFKPFWKBBBW-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035772 1138278317 /nfs/dbraw/zinc/27/83/17/1138278317.db2.gz AFGNFKPFWKBBBW-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(O)cc32)C2CC3CC(C2)CC1C3 ZINC000333790414 1138332295 /nfs/dbraw/zinc/33/22/95/1138332295.db2.gz GDZBJIRYGMGANX-PWWGJNJJSA-N 2 1 326.484 3.513 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000263782658 1138364172 /nfs/dbraw/zinc/36/41/72/1138364172.db2.gz ZAZCMGCDDZPHOF-UHFFFAOYSA-N 2 1 340.515 3.794 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000132999819 1138615913 /nfs/dbraw/zinc/61/59/13/1138615913.db2.gz FCBRJSRGEQCMAK-UONOGXRCSA-N 2 1 340.870 3.631 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000338007191 1138722327 /nfs/dbraw/zinc/72/23/27/1138722327.db2.gz KKNBTLHRCBBLPD-BQFCYCMXSA-N 2 1 327.447 3.782 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000338007191 1138722328 /nfs/dbraw/zinc/72/23/28/1138722328.db2.gz KKNBTLHRCBBLPD-BQFCYCMXSA-N 2 1 327.447 3.782 20 0 EHADMP COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000338273761 1138810953 /nfs/dbraw/zinc/81/09/53/1138810953.db2.gz HBVWTHSOZYUFMT-KRWDZBQOSA-N 2 1 331.504 3.567 20 0 EHADMP Cc1ccc([C@H]2OCCC[C@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000153086565 1139121797 /nfs/dbraw/zinc/12/17/97/1139121797.db2.gz CLGAURDOBMIKQI-SQEGATDGSA-N 2 1 330.516 3.781 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776995 1139441411 /nfs/dbraw/zinc/44/14/11/1139441411.db2.gz MCPWQJZLKNOXST-VQIMIIECSA-N 2 1 342.483 3.572 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776995 1139441413 /nfs/dbraw/zinc/44/14/13/1139441413.db2.gz MCPWQJZLKNOXST-VQIMIIECSA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776995 1139441416 /nfs/dbraw/zinc/44/14/16/1139441416.db2.gz MCPWQJZLKNOXST-VQIMIIECSA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776995 1139441419 /nfs/dbraw/zinc/44/14/19/1139441419.db2.gz MCPWQJZLKNOXST-VQIMIIECSA-N 2 1 342.483 3.572 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3F)CC2)nc(C)[nH+]1 ZINC000178695337 1139712250 /nfs/dbraw/zinc/71/22/50/1139712250.db2.gz PRLPBYQNOOPLIL-CQSZACIVSA-N 2 1 328.435 3.552 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCC[C@H]4OCC[C@@H]42)C3)cc1 ZINC000180157377 1139814058 /nfs/dbraw/zinc/81/40/58/1139814058.db2.gz YPKWCZGITMIAAF-UDTVGBNQSA-N 2 1 340.511 3.729 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCCc2ccccn2)C3)cc1 ZINC000180165758 1139814593 /nfs/dbraw/zinc/81/45/93/1139814593.db2.gz NROPBVSBQMAZLS-FRIKZZABSA-N 2 1 335.495 3.799 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000183192514 1140019183 /nfs/dbraw/zinc/01/91/83/1140019183.db2.gz CFPBUTCDFNYMJK-TXPKVOOTSA-N 2 1 343.515 3.949 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2s1 ZINC000187994340 1140279413 /nfs/dbraw/zinc/27/94/13/1140279413.db2.gz AOSCNODLUOIXRE-DOTOQJQBSA-N 2 1 332.513 3.789 20 0 EHADMP Fc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000268642443 1140966220 /nfs/dbraw/zinc/96/62/20/1140966220.db2.gz DVYQXVKWDFWMAJ-UHFFFAOYSA-N 2 1 341.268 3.695 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000268835768 1141004086 /nfs/dbraw/zinc/00/40/86/1141004086.db2.gz UEZRDCCOZZZDSS-LBPRGKRZSA-N 2 1 325.428 3.900 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000268878605 1141016202 /nfs/dbraw/zinc/01/62/02/1141016202.db2.gz AJBSANKAKMCIJB-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268901981 1141021733 /nfs/dbraw/zinc/02/17/33/1141021733.db2.gz WXRYESDUEKFMKR-INIZCTEOSA-N 2 1 339.361 3.757 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268908271 1141022138 /nfs/dbraw/zinc/02/21/38/1141022138.db2.gz HFSYNBXZYRFYMO-UYAOXDASSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268908271 1141022145 /nfs/dbraw/zinc/02/21/45/1141022145.db2.gz HFSYNBXZYRFYMO-UYAOXDASSA-N 2 1 330.516 3.572 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923245 1141026131 /nfs/dbraw/zinc/02/61/31/1141026131.db2.gz PHOFZEFKFGXOOA-YUXAGFNASA-N 2 1 338.495 3.529 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269005532 1141044327 /nfs/dbraw/zinc/04/43/27/1141044327.db2.gz VXUPEUGDMFOXNU-GIVPXCGWSA-N 2 1 332.532 3.531 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000269045892 1141055213 /nfs/dbraw/zinc/05/52/13/1141055213.db2.gz YKMODVNGPCKPOG-BEFAXECRSA-N 2 1 343.540 3.803 20 0 EHADMP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cs1 ZINC000269441997 1141108804 /nfs/dbraw/zinc/10/88/04/1141108804.db2.gz SUVCMOLFZNCEFW-ZDUSSCGKSA-N 2 1 348.516 3.619 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271046571 1141300570 /nfs/dbraw/zinc/30/05/70/1141300570.db2.gz RJPUBKNJGSBGOA-UHFFFAOYSA-N 2 1 326.488 3.690 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271046571 1141300576 /nfs/dbraw/zinc/30/05/76/1141300576.db2.gz RJPUBKNJGSBGOA-UHFFFAOYSA-N 2 1 326.488 3.690 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000271510137 1141383964 /nfs/dbraw/zinc/38/39/64/1141383964.db2.gz NOFTXOQBDMWJEU-VLCRHTCISA-N 2 1 338.495 3.529 20 0 EHADMP Cc1cc2[nH]ccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164628478 719083000 /nfs/dbraw/zinc/08/30/00/719083000.db2.gz RUWJOMPLJJDMKI-WIYYLYMNSA-N 2 1 346.478 3.972 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](CC(C)C)CC2)nc1 ZINC001164657528 719339760 /nfs/dbraw/zinc/33/97/60/719339760.db2.gz PTWWGFILPGSSDC-HXUWFJFHSA-N 2 1 344.547 3.797 20 0 EHADMP c1nc2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cc2[nH]1 ZINC000584284369 1032062142 /nfs/dbraw/zinc/06/21/42/1032062142.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000584284369 1032062112 /nfs/dbraw/zinc/06/21/12/1032062112.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000584284369 1032062129 /nfs/dbraw/zinc/06/21/29/1032062129.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000584284369 1032062098 /nfs/dbraw/zinc/06/20/98/1032062098.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cc2[nH]1 ZINC000584284369 1032062155 /nfs/dbraw/zinc/06/21/55/1032062155.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2[nH]1 ZINC000584284369 1032062172 /nfs/dbraw/zinc/06/21/72/1032062172.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2[nH]1 ZINC000584284369 1032062182 /nfs/dbraw/zinc/06/21/82/1032062182.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000339278578 1014147275 /nfs/dbraw/zinc/14/72/75/1014147275.db2.gz IXKLBPRRCLCQPL-IAGOWNOFSA-N 2 1 338.499 3.553 20 0 EHADMP COCC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760619 1014955454 /nfs/dbraw/zinc/95/54/54/1014955454.db2.gz KBTUFIXXPQDROW-HOJAQTOUSA-N 2 1 342.483 3.857 20 0 EHADMP COCC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760619 1014955455 /nfs/dbraw/zinc/95/54/55/1014955455.db2.gz KBTUFIXXPQDROW-HOJAQTOUSA-N 2 1 342.483 3.857 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1SC ZINC000459426692 1032109881 /nfs/dbraw/zinc/10/98/81/1032109881.db2.gz NLNOQUXFWLQCAL-XIKSMUEASA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1SC ZINC000459426692 1032109884 /nfs/dbraw/zinc/10/98/84/1032109884.db2.gz NLNOQUXFWLQCAL-XIKSMUEASA-N 2 1 348.556 3.538 20 0 EHADMP CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001208618236 1015101304 /nfs/dbraw/zinc/10/13/04/1015101304.db2.gz UARNJNUFKMPUTQ-OAHLLOKOSA-N 2 1 325.294 3.613 20 0 EHADMP CC[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001208618236 1015101322 /nfs/dbraw/zinc/10/13/22/1015101322.db2.gz UARNJNUFKMPUTQ-OAHLLOKOSA-N 2 1 325.294 3.613 20 0 EHADMP CC[NH+](Cc1cccc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618236 1015101334 /nfs/dbraw/zinc/10/13/34/1015101334.db2.gz UARNJNUFKMPUTQ-OAHLLOKOSA-N 2 1 325.294 3.613 20 0 EHADMP CC[NH+](Cc1cccc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208618236 1015101348 /nfs/dbraw/zinc/10/13/48/1015101348.db2.gz UARNJNUFKMPUTQ-OAHLLOKOSA-N 2 1 325.294 3.613 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274802214 1015244116 /nfs/dbraw/zinc/24/41/16/1015244116.db2.gz VNEMOKACCNCXHU-RCLSDMTESA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274802204 1015244297 /nfs/dbraw/zinc/24/42/97/1015244297.db2.gz VNEMOKACCNCXHU-ANTGDGSKSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179492934 1015408651 /nfs/dbraw/zinc/40/86/51/1015408651.db2.gz OCHMSZKGEMMYHK-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179492934 1015408657 /nfs/dbraw/zinc/40/86/57/1015408657.db2.gz OCHMSZKGEMMYHK-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274862588 1015514455 /nfs/dbraw/zinc/51/44/55/1015514455.db2.gz DCFJNZVUUNVZMQ-SPEDKVCISA-N 2 1 338.495 3.740 20 0 EHADMP Brc1ccccc1C[C@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000339799880 1015689488 /nfs/dbraw/zinc/68/94/88/1015689488.db2.gz ZILAVRBODFMQEL-MRXNPFEDSA-N 2 1 348.288 3.743 20 0 EHADMP CCOC(C)(C)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209073001 1015778511 /nfs/dbraw/zinc/77/85/11/1015778511.db2.gz PVPJYWOSRIMGDS-UHFFFAOYSA-N 2 1 345.531 3.573 20 0 EHADMP Cc1cc(N2CC[NH+](CCc3ccc(F)cc3Cl)CC2)cc[nH+]1 ZINC001209115247 1015828160 /nfs/dbraw/zinc/82/81/60/1015828160.db2.gz MYLAHEGMTHBXQR-UHFFFAOYSA-N 2 1 333.838 3.547 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000538100683 1032130844 /nfs/dbraw/zinc/13/08/44/1032130844.db2.gz JRZXHFJJFINMGZ-FQEVSTJZSA-N 2 1 349.950 3.654 20 0 EHADMP CC[N@H+]1CC[C@H](CNC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000180155238 1015876967 /nfs/dbraw/zinc/87/69/67/1015876967.db2.gz BPGCDYPSHDHTRY-OAHLLOKOSA-N 2 1 330.422 3.986 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1 ZINC000183143854 1032137253 /nfs/dbraw/zinc/13/72/53/1032137253.db2.gz UGWLSODDRORQQD-INIZCTEOSA-N 2 1 348.450 3.778 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453066 1016313661 /nfs/dbraw/zinc/31/36/61/1016313661.db2.gz FBLRGPFXLVQOQK-HXUWFJFHSA-N 2 1 344.499 3.876 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453066 1016313672 /nfs/dbraw/zinc/31/36/72/1016313672.db2.gz FBLRGPFXLVQOQK-HXUWFJFHSA-N 2 1 344.499 3.876 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275362922 1016565742 /nfs/dbraw/zinc/56/57/42/1016565742.db2.gz BFULWZJHQAJPED-DZGCQCFKSA-N 2 1 337.389 3.685 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000167707199 1016781588 /nfs/dbraw/zinc/78/15/88/1016781588.db2.gz UFNAIGOGFRRKJK-CRAIPNDOSA-N 2 1 347.503 3.648 20 0 EHADMP CCOCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000782967990 1016894764 /nfs/dbraw/zinc/89/47/64/1016894764.db2.gz CSBUEXAQQCEJHA-HKUYNNGSSA-N 2 1 346.515 3.802 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449068516 1032151759 /nfs/dbraw/zinc/15/17/59/1032151759.db2.gz SWBIPBDQQDNYSO-UHFFFAOYSA-N 2 1 333.476 3.912 20 0 EHADMP C[C@H](CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831380 1016992807 /nfs/dbraw/zinc/99/28/07/1016992807.db2.gz VUSXUXWLNLOXFC-RZUBCFFCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831380 1016992819 /nfs/dbraw/zinc/99/28/19/1016992819.db2.gz VUSXUXWLNLOXFC-RZUBCFFCSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831380 1016992825 /nfs/dbraw/zinc/99/28/25/1016992825.db2.gz VUSXUXWLNLOXFC-RZUBCFFCSA-N 3 1 343.559 3.751 20 0 EHADMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000449072802 1032160363 /nfs/dbraw/zinc/16/03/63/1032160363.db2.gz GRNURRKSBKHLNZ-UHFFFAOYSA-N 2 1 346.563 3.916 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449108798 1032189546 /nfs/dbraw/zinc/18/95/46/1032189546.db2.gz VTNGMHBBYUNTQL-APWZRJJASA-N 2 1 336.907 3.677 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000149637722 1032210012 /nfs/dbraw/zinc/21/00/12/1032210012.db2.gz NUJFACNAQJOYGN-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000149637722 1032210028 /nfs/dbraw/zinc/21/00/28/1032210028.db2.gz NUJFACNAQJOYGN-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000184150357 1032258440 /nfs/dbraw/zinc/25/84/40/1032258440.db2.gz LTHPNXKNICPAKW-NRFANRHFSA-N 2 1 330.516 3.744 20 0 EHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000538269610 1032262193 /nfs/dbraw/zinc/26/21/93/1032262193.db2.gz JIUMPOGDPNEZBH-GHTZIAJQSA-N 2 1 328.500 3.601 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000449185233 1032302318 /nfs/dbraw/zinc/30/23/18/1032302318.db2.gz JFYVAWMZIPXEMP-FUHWJXTLSA-N 2 1 335.580 3.880 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000449216426 1032332704 /nfs/dbraw/zinc/33/27/04/1032332704.db2.gz SDEUROJUNDHSRE-INIZCTEOSA-N 2 1 338.458 3.569 20 0 EHADMP CSCC1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000449222686 1032340044 /nfs/dbraw/zinc/34/00/44/1032340044.db2.gz IIPGEGADWUBPNF-UHFFFAOYSA-N 2 1 340.577 3.533 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000536875289 1032377162 /nfs/dbraw/zinc/37/71/62/1032377162.db2.gz HQWHBIXJHNPANY-GXTWGEPZSA-N 2 1 331.287 3.692 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000459681291 1032410920 /nfs/dbraw/zinc/41/09/20/1032410920.db2.gz RHWNGJPAEWNZJP-MSOLQXFVSA-N 2 1 329.513 3.973 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000459681291 1032410923 /nfs/dbraw/zinc/41/09/23/1032410923.db2.gz RHWNGJPAEWNZJP-MSOLQXFVSA-N 2 1 329.513 3.973 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)s1 ZINC000459718739 1032427748 /nfs/dbraw/zinc/42/77/48/1032427748.db2.gz SVZGHWWULWGKHB-UHFFFAOYSA-N 2 1 349.931 3.971 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459723602 1032431721 /nfs/dbraw/zinc/43/17/21/1032431721.db2.gz AGRHZZGNEQRNQW-IKGGRYGDSA-N 2 1 334.504 3.517 20 0 EHADMP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000459738619 1032454086 /nfs/dbraw/zinc/45/40/86/1032454086.db2.gz SAHRQDBGJLHTGM-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797410 1032480608 /nfs/dbraw/zinc/48/06/08/1032480608.db2.gz WPTOYHBGLWWXHW-RDJZCZTQSA-N 2 1 340.458 3.931 20 0 EHADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000090230998 1032565855 /nfs/dbraw/zinc/56/58/55/1032565855.db2.gz OFOKZAKLBCBCNB-LZWOXQAQSA-N 2 1 344.421 3.793 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000537294025 1032599309 /nfs/dbraw/zinc/59/93/09/1032599309.db2.gz RQYPSFQMFWEPBR-BPQIPLTHSA-N 2 1 336.545 3.753 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000537294025 1032599324 /nfs/dbraw/zinc/59/93/24/1032599324.db2.gz RQYPSFQMFWEPBR-BPQIPLTHSA-N 2 1 336.545 3.753 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449479777 1032604272 /nfs/dbraw/zinc/60/42/72/1032604272.db2.gz MWMYMKDQJNQYOM-HXUWFJFHSA-N 2 1 342.527 3.632 20 0 EHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1C ZINC000657862513 1032635526 /nfs/dbraw/zinc/63/55/26/1032635526.db2.gz DVYYWLOXHHCPDB-INIZCTEOSA-N 2 1 325.378 3.821 20 0 EHADMP C[C@H](CCc1ccccc1)C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537332153 1032637573 /nfs/dbraw/zinc/63/75/73/1032637573.db2.gz RXWOJLBFPCMOOT-AQNXPRMDSA-N 2 1 332.532 3.734 20 0 EHADMP COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188787976 1017280319 /nfs/dbraw/zinc/28/03/19/1017280319.db2.gz SGNFZRYNBZPYMB-LSDHHAIUSA-N 2 1 336.439 3.996 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892739140 1017291301 /nfs/dbraw/zinc/29/13/01/1017291301.db2.gz ZDGNCPFSANNYGR-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892739140 1017291310 /nfs/dbraw/zinc/29/13/10/1017291310.db2.gz ZDGNCPFSANNYGR-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449505499 1032689877 /nfs/dbraw/zinc/68/98/77/1032689877.db2.gz ZMCIEIYHOSYUIV-UNMCSNQZSA-N 2 1 344.543 3.734 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000634685131 1017328879 /nfs/dbraw/zinc/32/88/79/1017328879.db2.gz HWQULGBLTRQDRZ-PMACEKPBSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C2CCC(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655712105 1017433103 /nfs/dbraw/zinc/43/31/03/1017433103.db2.gz POTSSFLBZPLHJE-ZOGYUUGASA-N 2 1 342.527 3.803 20 0 EHADMP C[C@H]1C[NH+](CC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@H](C)O1 ZINC000091478337 1032703683 /nfs/dbraw/zinc/70/36/83/1032703683.db2.gz LCPBTBTXUXSGQC-GJZGRUSLSA-N 2 1 345.512 3.622 20 0 EHADMP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)c1 ZINC000415077758 1017511425 /nfs/dbraw/zinc/51/14/25/1017511425.db2.gz FFXBXFQRRGSKMS-YADHBBJMSA-N 2 1 346.478 3.514 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000415106059 1017559596 /nfs/dbraw/zinc/55/95/96/1017559596.db2.gz NUDDRJKFPXLKAF-CWRNSKLLSA-N 2 1 341.268 3.599 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCC(C)C ZINC000415137219 1017599821 /nfs/dbraw/zinc/59/98/21/1017599821.db2.gz YACLPXVJZPCGNE-SJLPKXTDSA-N 2 1 334.504 3.537 20 0 EHADMP CCOC1CC(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000377394843 1017746842 /nfs/dbraw/zinc/74/68/42/1017746842.db2.gz CFSZYHLYTOUKDO-UHFFFAOYSA-N 2 1 342.527 3.790 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCCO1 ZINC000655848845 1017777641 /nfs/dbraw/zinc/77/76/41/1017777641.db2.gz KKXAMJWMGBDXSS-FYZZASKESA-N 2 1 330.516 3.977 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCCO1 ZINC000655848845 1017777647 /nfs/dbraw/zinc/77/76/47/1017777647.db2.gz KKXAMJWMGBDXSS-FYZZASKESA-N 2 1 330.516 3.977 20 0 EHADMP Cc1ncncc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000579977557 1017944372 /nfs/dbraw/zinc/94/43/72/1017944372.db2.gz FYYXYHPMVVWNKH-AWQBJMPUSA-N 2 1 338.499 3.592 20 0 EHADMP Cc1ncncc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000579977557 1017944386 /nfs/dbraw/zinc/94/43/86/1017944386.db2.gz FYYXYHPMVVWNKH-AWQBJMPUSA-N 2 1 338.499 3.592 20 0 EHADMP [NH3+]CC1C[NH+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC001210542890 1018243757 /nfs/dbraw/zinc/24/37/57/1018243757.db2.gz CJQUVQUNKLQVLG-UHFFFAOYSA-N 2 1 336.357 3.643 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000659862973 1018305235 /nfs/dbraw/zinc/30/52/35/1018305235.db2.gz GWWUJWWWVQWLAC-HSALFYBXSA-N 2 1 335.580 3.693 20 0 EHADMP C[C@@H]1C[C@H](NCc2cn3ccnc3s2)CC[N@H+]1Cc1ccccc1 ZINC000893097919 1018460585 /nfs/dbraw/zinc/46/05/85/1018460585.db2.gz ACSQIRVNYYYJHS-NVXWUHKLSA-N 2 1 340.496 3.539 20 0 EHADMP COC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615540 1018996081 /nfs/dbraw/zinc/99/60/81/1018996081.db2.gz AVCPKAYWPBWVNL-WIYYLYMNSA-N 2 1 326.484 3.874 20 0 EHADMP COC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615540 1018996096 /nfs/dbraw/zinc/99/60/96/1018996096.db2.gz AVCPKAYWPBWVNL-WIYYLYMNSA-N 2 1 326.484 3.874 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167937813 1019252429 /nfs/dbraw/zinc/25/24/29/1019252429.db2.gz AGYVUAYZKZEJOJ-MIFYACCESA-N 2 1 327.859 3.809 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254184 1019666091 /nfs/dbraw/zinc/66/60/91/1019666091.db2.gz CVEMFCIHIHNIKK-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP CCc1noc(C)c1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820920 1032845777 /nfs/dbraw/zinc/84/57/77/1032845777.db2.gz IDLDGUIJILMWTJ-UHFFFAOYSA-N 2 1 342.487 3.679 20 0 EHADMP Cc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cnc1F ZINC000894227916 1019705815 /nfs/dbraw/zinc/70/58/15/1019705815.db2.gz XMXBYUNCKHTURR-FQEVSTJZSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000894227916 1019705825 /nfs/dbraw/zinc/70/58/25/1019705825.db2.gz XMXBYUNCKHTURR-FQEVSTJZSA-N 2 1 327.447 3.531 20 0 EHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000513510045 1019756111 /nfs/dbraw/zinc/75/61/11/1019756111.db2.gz YBAWKSRWXLAPBW-MJGOQNOKSA-N 2 1 336.545 3.662 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000664203612 1019764947 /nfs/dbraw/zinc/76/49/47/1019764947.db2.gz XYKBYSZMYZHPIM-JRGCBEDISA-N 2 1 339.458 3.531 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000513678964 1019942383 /nfs/dbraw/zinc/94/23/83/1019942383.db2.gz SPZGTRWBVRAYQN-QLIIJSOBSA-N 2 1 343.515 3.634 20 0 EHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cncc(Br)c1 ZINC000580963453 1020308705 /nfs/dbraw/zinc/30/87/05/1020308705.db2.gz OIUKGOMZWPLTDQ-NSHDSACASA-N 2 1 340.309 3.804 20 0 EHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000349362454 1020342639 /nfs/dbraw/zinc/34/26/39/1020342639.db2.gz CTVVOYWUVCULCI-UHFFFAOYSA-N 2 1 332.488 3.640 20 0 EHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000349362454 1020342645 /nfs/dbraw/zinc/34/26/45/1020342645.db2.gz CTVVOYWUVCULCI-UHFFFAOYSA-N 2 1 332.488 3.640 20 0 EHADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001167442282 1020351063 /nfs/dbraw/zinc/35/10/63/1020351063.db2.gz CCGJQACBBKLPQG-FPOVZHCZSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542547 1020581123 /nfs/dbraw/zinc/58/11/23/1020581123.db2.gz KUKIZAOSGQDTGO-ROUUACIJSA-N 2 1 349.563 3.540 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542547 1020581130 /nfs/dbraw/zinc/58/11/30/1020581130.db2.gz KUKIZAOSGQDTGO-ROUUACIJSA-N 2 1 349.563 3.540 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000513702410 1020599171 /nfs/dbraw/zinc/59/91/71/1020599171.db2.gz ITCCDFVRCURNAA-IXDOHACOSA-N 2 1 342.405 3.590 20 0 EHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000501074737 1020694747 /nfs/dbraw/zinc/69/47/47/1020694747.db2.gz FXTOAHQSADAVFB-GOSISDBHSA-N 2 1 335.511 3.625 20 0 EHADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278773736 1032924401 /nfs/dbraw/zinc/92/44/01/1032924401.db2.gz PHOKRBDYQHPZJV-WOZUAGRISA-N 2 1 342.527 3.569 20 0 EHADMP CS[C@H](C)CC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279486647 1020840969 /nfs/dbraw/zinc/84/09/69/1020840969.db2.gz SFLNCKWBTXEGBO-QGZVFWFLSA-N 2 1 335.561 3.834 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593113 1020844121 /nfs/dbraw/zinc/84/41/21/1020844121.db2.gz DEYPBJZGGMAEFD-GHTZIAJQSA-N 2 1 338.495 3.852 20 0 EHADMP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000153857871 1021078878 /nfs/dbraw/zinc/07/88/78/1021078878.db2.gz RZXKGYRSHUCBRH-RBUKOAKNSA-N 3 1 343.559 3.970 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000341199982 1021085614 /nfs/dbraw/zinc/08/56/14/1021085614.db2.gz ZFBJGEFVDMGKJP-KRWDZBQOSA-N 2 1 337.305 3.900 20 0 EHADMP Cc1nc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ccc2o1 ZINC001167963694 1021175881 /nfs/dbraw/zinc/17/58/81/1021175881.db2.gz BGXBMIHYMDYRSA-AYHJJNSGSA-N 2 1 325.456 3.631 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427278109 1021273254 /nfs/dbraw/zinc/27/32/54/1021273254.db2.gz VYYIRLJVSYRBLQ-ZWKOTPCHSA-N 2 1 343.515 3.637 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000134306179 1123515071 /nfs/dbraw/zinc/51/50/71/1123515071.db2.gz HNVSWECIJXURSQ-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000638801963 1021434822 /nfs/dbraw/zinc/43/48/22/1021434822.db2.gz CFZUNOJZNRKCGC-NLWGTHIKSA-N 2 1 328.500 3.902 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000638801963 1021434830 /nfs/dbraw/zinc/43/48/30/1021434830.db2.gz CFZUNOJZNRKCGC-NLWGTHIKSA-N 2 1 328.500 3.902 20 0 EHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000427540689 1021456284 /nfs/dbraw/zinc/45/62/84/1021456284.db2.gz NNRBZSWECJTCQW-ZVDOUQERSA-N 2 1 332.532 3.733 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000437104581 1021559118 /nfs/dbraw/zinc/55/91/18/1021559118.db2.gz PGNAALFBGUCPIK-BBRMVZONSA-N 2 1 326.406 3.667 20 0 EHADMP COC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C)o1 ZINC000156372223 1021666763 /nfs/dbraw/zinc/66/67/63/1021666763.db2.gz ZANDSCWHWFVWOS-VQIMIIECSA-N 2 1 346.471 3.567 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638365152 1021688987 /nfs/dbraw/zinc/68/89/87/1021688987.db2.gz BGIDCZJRSLTXRM-UXHICEINSA-N 2 1 329.532 3.615 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3cccc4c3CCCN4)CC2)cc1 ZINC000415021478 1022165327 /nfs/dbraw/zinc/16/53/27/1022165327.db2.gz AZAPYXLNGRCALU-UHFFFAOYSA-N 2 1 349.522 3.841 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415021467 1022165935 /nfs/dbraw/zinc/16/59/35/1022165935.db2.gz UQUSOXQCKOTBAI-IAGOWNOFSA-N 2 1 334.467 3.673 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385153 1022201524 /nfs/dbraw/zinc/20/15/24/1022201524.db2.gz CLMGIAWALICSJD-AZUAARDMSA-N 2 1 342.527 3.750 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385153 1022201532 /nfs/dbraw/zinc/20/15/32/1022201532.db2.gz CLMGIAWALICSJD-AZUAARDMSA-N 2 1 342.527 3.750 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385153 1022201541 /nfs/dbraw/zinc/20/15/41/1022201541.db2.gz CLMGIAWALICSJD-AZUAARDMSA-N 2 1 342.527 3.750 20 0 EHADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000388761901 1022207721 /nfs/dbraw/zinc/20/77/21/1022207721.db2.gz NTAVXNRDYXMYKY-KDXIVRHGSA-N 2 1 348.490 3.880 20 0 EHADMP CSC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000425919127 1022216990 /nfs/dbraw/zinc/21/69/90/1022216990.db2.gz FTZLUJRZLYZOHJ-DOMZBBRYSA-N 2 1 334.451 3.897 20 0 EHADMP C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574313685 1033037491 /nfs/dbraw/zinc/03/74/91/1033037491.db2.gz UEOIYKKQYFGWFE-MJGOQNOKSA-N 2 1 346.515 3.609 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967934 1022230620 /nfs/dbraw/zinc/23/06/20/1022230620.db2.gz LQWGOVNPDSFQLZ-KRXYWNSISA-N 2 1 326.484 3.678 20 0 EHADMP C[N@@H+](Cc1ccccc1C[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC000438086058 1022368831 /nfs/dbraw/zinc/36/88/31/1022368831.db2.gz RMTYCUWQNFIACD-SFHVURJKSA-N 2 1 330.516 3.967 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438089160 1022372034 /nfs/dbraw/zinc/37/20/34/1022372034.db2.gz TYKSFBRMGRRDTN-CEXWTWQISA-N 2 1 330.516 3.681 20 0 EHADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976685 1022408344 /nfs/dbraw/zinc/40/83/44/1022408344.db2.gz SAEHGRVILLDCRZ-KBAYOESNSA-N 2 1 340.471 3.509 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000517567148 1022461874 /nfs/dbraw/zinc/46/18/74/1022461874.db2.gz BOMNHMPOSAXCJD-INIZCTEOSA-N 2 1 340.467 3.542 20 0 EHADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969784 1022509394 /nfs/dbraw/zinc/50/93/94/1022509394.db2.gz XPZGXHXPINPATG-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969784 1022509402 /nfs/dbraw/zinc/50/94/02/1022509402.db2.gz XPZGXHXPINPATG-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@@H](C)[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425969784 1022509410 /nfs/dbraw/zinc/50/94/10/1022509410.db2.gz XPZGXHXPINPATG-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@@H](C)[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425969784 1022509427 /nfs/dbraw/zinc/50/94/27/1022509427.db2.gz XPZGXHXPINPATG-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP CCn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894554517 1022544196 /nfs/dbraw/zinc/54/41/96/1022544196.db2.gz GJGPNUVFPALUFW-HXUWFJFHSA-N 2 1 340.515 3.603 20 0 EHADMP CCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894554517 1022544210 /nfs/dbraw/zinc/54/42/10/1022544210.db2.gz GJGPNUVFPALUFW-HXUWFJFHSA-N 2 1 340.515 3.603 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449686595 1033070262 /nfs/dbraw/zinc/07/02/62/1033070262.db2.gz ZIBVOHWKIBXKJQ-OXQOHEQNSA-N 2 1 325.456 3.744 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449686595 1033070275 /nfs/dbraw/zinc/07/02/75/1033070275.db2.gz ZIBVOHWKIBXKJQ-OXQOHEQNSA-N 2 1 325.456 3.744 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414930340 1022664398 /nfs/dbraw/zinc/66/43/98/1022664398.db2.gz ANCIFVVIHSJBJS-LPHOPBHVSA-N 2 1 340.515 3.566 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430927059 1022887677 /nfs/dbraw/zinc/88/76/77/1022887677.db2.gz HVPHXFPQTMDKRE-IRXDYDNUSA-N 2 1 337.467 3.541 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782995 1022905663 /nfs/dbraw/zinc/90/56/63/1022905663.db2.gz OTMGLNSUKMFCFC-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782995 1022905670 /nfs/dbraw/zinc/90/56/70/1022905670.db2.gz OTMGLNSUKMFCFC-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782995 1022905681 /nfs/dbraw/zinc/90/56/81/1022905681.db2.gz OTMGLNSUKMFCFC-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782995 1022905687 /nfs/dbraw/zinc/90/56/87/1022905687.db2.gz OTMGLNSUKMFCFC-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782995 1022905692 /nfs/dbraw/zinc/90/56/92/1022905692.db2.gz OTMGLNSUKMFCFC-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)CC2)cs1 ZINC000527658201 1033093563 /nfs/dbraw/zinc/09/35/63/1033093563.db2.gz SAYISZGZURPATF-CCKFTAQKSA-N 2 1 347.572 3.942 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414950657 1022988932 /nfs/dbraw/zinc/98/89/32/1022988932.db2.gz PCMVMWSUBZHQSI-AEFFLSMTSA-N 2 1 340.515 3.708 20 0 EHADMP CC[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000509549974 1023028447 /nfs/dbraw/zinc/02/84/47/1023028447.db2.gz RPJYVIQNOBMLIE-SFHVURJKSA-N 2 1 329.532 3.839 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427110278 1023223477 /nfs/dbraw/zinc/22/34/77/1023223477.db2.gz KTVWOOJVIYKDRM-DYESRHJHSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427110278 1023223491 /nfs/dbraw/zinc/22/34/91/1023223491.db2.gz KTVWOOJVIYKDRM-DYESRHJHSA-N 2 1 340.442 3.589 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414980933 1023265069 /nfs/dbraw/zinc/26/50/69/1023265069.db2.gz XKURLESNEVBYKF-INIZCTEOSA-N 2 1 340.895 3.615 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429518 1023293316 /nfs/dbraw/zinc/29/33/16/1023293316.db2.gz JQJYRRDSIWCGDG-DYVFJYSZSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429518 1023293319 /nfs/dbraw/zinc/29/33/19/1023293319.db2.gz JQJYRRDSIWCGDG-DYVFJYSZSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429518 1023293320 /nfs/dbraw/zinc/29/33/20/1023293320.db2.gz JQJYRRDSIWCGDG-DYVFJYSZSA-N 2 1 339.321 3.920 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000276894847 1023310913 /nfs/dbraw/zinc/31/09/13/1023310913.db2.gz IHIBYDJKAOFOAS-CQSZACIVSA-N 2 1 344.421 3.509 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092559959 1023449991 /nfs/dbraw/zinc/44/99/91/1023449991.db2.gz LTONBXMAPDHVDS-WWDZGPRUSA-N 2 1 338.536 3.741 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000341851799 1023460169 /nfs/dbraw/zinc/46/01/69/1023460169.db2.gz HMPPRRLYKHEDIX-OAQYLSRUSA-N 2 1 335.451 3.739 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000449740502 1033141099 /nfs/dbraw/zinc/14/10/99/1033141099.db2.gz GUTOHMWJGYRXTA-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000449740502 1033141111 /nfs/dbraw/zinc/14/11/11/1033141111.db2.gz GUTOHMWJGYRXTA-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+]2CCCCn2ccnc2C)c1 ZINC000535765634 1023612954 /nfs/dbraw/zinc/61/29/54/1023612954.db2.gz UNMIZRGCFHRSSY-LJQANCHMSA-N 2 1 327.472 3.687 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000535765634 1023612956 /nfs/dbraw/zinc/61/29/56/1023612956.db2.gz UNMIZRGCFHRSSY-LJQANCHMSA-N 2 1 327.472 3.687 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000535765634 1023612959 /nfs/dbraw/zinc/61/29/59/1023612959.db2.gz UNMIZRGCFHRSSY-LJQANCHMSA-N 2 1 327.472 3.687 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000277085419 1023753895 /nfs/dbraw/zinc/75/38/95/1023753895.db2.gz FPQISMAIUXWTHN-GOSISDBHSA-N 2 1 339.483 3.585 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C(C)(C)O1 ZINC000181257989 1023874223 /nfs/dbraw/zinc/87/42/23/1023874223.db2.gz IUAGMQZTFMCOTJ-IBGZPJMESA-N 2 1 348.506 3.768 20 0 EHADMP C[C@@H]1C[C@H](N(C)CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000093644555 1023984021 /nfs/dbraw/zinc/98/40/21/1023984021.db2.gz IVGXVWSQHJTHGQ-UYAOXDASSA-N 2 1 331.548 3.559 20 0 EHADMP C[C@@H]1C[C@H](N(C)CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644555 1023984025 /nfs/dbraw/zinc/98/40/25/1023984025.db2.gz IVGXVWSQHJTHGQ-UYAOXDASSA-N 2 1 331.548 3.559 20 0 EHADMP C[C@@H]1C[C@H](N(C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644555 1023984035 /nfs/dbraw/zinc/98/40/35/1023984035.db2.gz IVGXVWSQHJTHGQ-UYAOXDASSA-N 2 1 331.548 3.559 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000280233679 1024010665 /nfs/dbraw/zinc/01/06/65/1024010665.db2.gz VMDWMNQMDYNPJY-IFXJQAMLSA-N 2 1 335.455 3.642 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021620 1024116129 /nfs/dbraw/zinc/11/61/29/1024116129.db2.gz QOAQBKQLHKWJCN-RMFSNUHRSA-N 2 1 338.495 3.966 20 0 EHADMP CO[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000514115727 1024148177 /nfs/dbraw/zinc/14/81/77/1024148177.db2.gz VBEWNWHHZINCNW-NSISKUIASA-N 2 1 348.918 3.976 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000277242921 1024303209 /nfs/dbraw/zinc/30/32/09/1024303209.db2.gz OPOVAJZMHWKKFV-MJGOQNOKSA-N 2 1 348.531 3.680 20 0 EHADMP C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414855013 1024437645 /nfs/dbraw/zinc/43/76/45/1024437645.db2.gz MQQCSGGLZOOWTN-WDEREUQCSA-N 2 1 331.685 3.580 20 0 EHADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCC1 ZINC000657886368 1033212265 /nfs/dbraw/zinc/21/22/65/1033212265.db2.gz FEEVYPAJQFHFLB-QGZVFWFLSA-N 2 1 342.483 3.959 20 0 EHADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346171101 1024484651 /nfs/dbraw/zinc/48/46/51/1024484651.db2.gz NXXBLHLAQVOCBO-IFXJQAMLSA-N 2 1 339.464 3.758 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000280990117 1024532025 /nfs/dbraw/zinc/53/20/25/1024532025.db2.gz LUKJZXCTFVTEKS-MWXLCCTBSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000280990117 1024532036 /nfs/dbraw/zinc/53/20/36/1024532036.db2.gz LUKJZXCTFVTEKS-MWXLCCTBSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000280990117 1024532045 /nfs/dbraw/zinc/53/20/45/1024532045.db2.gz LUKJZXCTFVTEKS-MWXLCCTBSA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000280990117 1024532059 /nfs/dbraw/zinc/53/20/59/1024532059.db2.gz LUKJZXCTFVTEKS-MWXLCCTBSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000280990117 1024532062 /nfs/dbraw/zinc/53/20/62/1024532062.db2.gz LUKJZXCTFVTEKS-MWXLCCTBSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000067452746 1024572365 /nfs/dbraw/zinc/57/23/65/1024572365.db2.gz GEBZBVITVOKBGZ-GASCZTMLSA-N 2 1 344.421 3.684 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008508 1024606508 /nfs/dbraw/zinc/60/65/08/1024606508.db2.gz FFIATPLGQUXSSS-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008508 1024606512 /nfs/dbraw/zinc/60/65/12/1024606512.db2.gz FFIATPLGQUXSSS-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008508 1024606519 /nfs/dbraw/zinc/60/65/19/1024606519.db2.gz FFIATPLGQUXSSS-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008508 1024606525 /nfs/dbraw/zinc/60/65/25/1024606525.db2.gz FFIATPLGQUXSSS-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008508 1024606532 /nfs/dbraw/zinc/60/65/32/1024606532.db2.gz FFIATPLGQUXSSS-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)C[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000474276471 1024680758 /nfs/dbraw/zinc/68/07/58/1024680758.db2.gz RNAXROWYOICCRO-FQEVSTJZSA-N 2 1 332.532 3.595 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157016933 1024708526 /nfs/dbraw/zinc/70/85/26/1024708526.db2.gz MLPGVTDKQQRKMF-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP Cc1ccc2c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157130280 1024777129 /nfs/dbraw/zinc/77/71/29/1024777129.db2.gz VJFHRTDQJUQTQR-SFHVURJKSA-N 2 1 340.467 3.552 20 0 EHADMP Cc1ccc2c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157130280 1024777144 /nfs/dbraw/zinc/77/71/44/1024777144.db2.gz VJFHRTDQJUQTQR-SFHVURJKSA-N 2 1 340.467 3.552 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cc(F)ccc1F ZINC000647344486 1033239742 /nfs/dbraw/zinc/23/97/42/1033239742.db2.gz ROLIHIZXWRNODF-GMBSWORKSA-N 2 1 330.422 3.961 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cc(F)ccc1F ZINC000647344486 1033239761 /nfs/dbraw/zinc/23/97/61/1033239761.db2.gz ROLIHIZXWRNODF-GMBSWORKSA-N 2 1 330.422 3.961 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375029 1024841459 /nfs/dbraw/zinc/84/14/59/1024841459.db2.gz ZAOPUYIVLHZLDS-NVXWUHKLSA-N 2 1 340.467 3.540 20 0 EHADMP CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435378358 1024861235 /nfs/dbraw/zinc/86/12/35/1024861235.db2.gz DJOQEDGHEWZJPQ-AWEZNQCLSA-N 2 1 346.906 3.739 20 0 EHADMP CC(C)(C)n1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435378358 1024861253 /nfs/dbraw/zinc/86/12/53/1024861253.db2.gz DJOQEDGHEWZJPQ-AWEZNQCLSA-N 2 1 346.906 3.739 20 0 EHADMP COc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000435391981 1024880929 /nfs/dbraw/zinc/88/09/29/1024880929.db2.gz VDGWZVSUAGNWAA-HXUWFJFHSA-N 2 1 339.483 3.543 20 0 EHADMP COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000435391981 1024880936 /nfs/dbraw/zinc/88/09/36/1024880936.db2.gz VDGWZVSUAGNWAA-HXUWFJFHSA-N 2 1 339.483 3.543 20 0 EHADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038797 1024942724 /nfs/dbraw/zinc/94/27/24/1024942724.db2.gz ZBYPTLPCAQHXIW-ZBFHGGJFSA-N 2 1 342.405 3.548 20 0 EHADMP CC(C)OC1CC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000428097050 1024978422 /nfs/dbraw/zinc/97/84/22/1024978422.db2.gz CINRCOUIXPVJNU-GUSVMJMASA-N 2 1 330.516 3.833 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000657311726 1024993271 /nfs/dbraw/zinc/99/32/71/1024993271.db2.gz SMIPRDBIBAQWFG-GOSISDBHSA-N 2 1 340.515 3.957 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000657311726 1024993276 /nfs/dbraw/zinc/99/32/76/1024993276.db2.gz SMIPRDBIBAQWFG-GOSISDBHSA-N 2 1 340.515 3.957 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657311335 1024998801 /nfs/dbraw/zinc/99/88/01/1024998801.db2.gz JYUUXSBGLYASNX-GHTZIAJQSA-N 2 1 346.515 3.599 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000281402725 1025006165 /nfs/dbraw/zinc/00/61/65/1025006165.db2.gz PRRJNUWGHKTLEZ-KRWDZBQOSA-N 2 1 346.544 3.836 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000281402725 1025006176 /nfs/dbraw/zinc/00/61/76/1025006176.db2.gz PRRJNUWGHKTLEZ-KRWDZBQOSA-N 2 1 346.544 3.836 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157661575 1025006515 /nfs/dbraw/zinc/00/65/15/1025006515.db2.gz CVJPOTZMWLDBRK-DCPHZVHLSA-N 2 1 325.456 3.789 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000474473451 1025026412 /nfs/dbraw/zinc/02/64/12/1025026412.db2.gz PTEQNBANNSIYGQ-QGZVFWFLSA-N 2 1 346.515 3.740 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657313817 1025032336 /nfs/dbraw/zinc/03/23/36/1025032336.db2.gz UVLUOIXPGVHSSK-CALCHBBNSA-N 2 1 332.536 3.535 20 0 EHADMP Cc1cccc2sc(NC3CCN(C4CC[NH+](C)CC4)CC3)nc21 ZINC000892152928 1025032386 /nfs/dbraw/zinc/03/23/86/1025032386.db2.gz IBVNFZLUQVZLIS-UHFFFAOYSA-N 2 1 344.528 3.575 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccccn4)[C@H]3C2)cc1 ZINC000428213327 1025051518 /nfs/dbraw/zinc/05/15/18/1025051518.db2.gz RNLBLRSFCREILG-PMVMPFDFSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1cc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000428219341 1025053953 /nfs/dbraw/zinc/05/39/53/1025053953.db2.gz OSQFEHJTFUBOEB-SESVDKBCSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000428219341 1025053966 /nfs/dbraw/zinc/05/39/66/1025053966.db2.gz OSQFEHJTFUBOEB-SESVDKBCSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000428219341 1025053979 /nfs/dbraw/zinc/05/39/79/1025053979.db2.gz OSQFEHJTFUBOEB-SESVDKBCSA-N 2 1 339.483 3.763 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000428232519 1025066639 /nfs/dbraw/zinc/06/66/39/1025066639.db2.gz ZVANXAFBYXGXSP-BHDDXSALSA-N 2 1 335.495 3.862 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000474627129 1025241083 /nfs/dbraw/zinc/24/10/83/1025241083.db2.gz NJIQMHHMZBZWHS-VXESANQCSA-N 2 1 338.536 3.599 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000474627129 1025241092 /nfs/dbraw/zinc/24/10/92/1025241092.db2.gz NJIQMHHMZBZWHS-VXESANQCSA-N 2 1 338.536 3.599 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3scnc3C)cc2)C1 ZINC000657337148 1025272273 /nfs/dbraw/zinc/27/22/73/1025272273.db2.gz KNFFLLFCGDRJRK-KRWDZBQOSA-N 2 1 329.513 3.940 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040461 1025331800 /nfs/dbraw/zinc/33/18/00/1025331800.db2.gz MZKVMLBZGLUZNF-XJEPWFOTSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040461 1025331815 /nfs/dbraw/zinc/33/18/15/1025331815.db2.gz MZKVMLBZGLUZNF-XJEPWFOTSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040461 1025331828 /nfs/dbraw/zinc/33/18/28/1025331828.db2.gz MZKVMLBZGLUZNF-XJEPWFOTSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040461 1025331843 /nfs/dbraw/zinc/33/18/43/1025331843.db2.gz MZKVMLBZGLUZNF-XJEPWFOTSA-N 2 1 330.516 3.521 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@@H]1c1ccccc1 ZINC000453362416 1025368787 /nfs/dbraw/zinc/36/87/87/1025368787.db2.gz BAJZTDOOJQUPDE-RBUKOAKNSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@@H]1c1ccccc1 ZINC000453362416 1025368798 /nfs/dbraw/zinc/36/87/98/1025368798.db2.gz BAJZTDOOJQUPDE-RBUKOAKNSA-N 2 1 330.516 3.743 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@](F)(CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041840 1025492161 /nfs/dbraw/zinc/49/21/61/1025492161.db2.gz WJMMVUAWAMKNGC-OPYAIIAOSA-N 2 1 348.506 3.615 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000442873305 1025545718 /nfs/dbraw/zinc/54/57/18/1025545718.db2.gz KSZFEFCRYGQNOM-OAQYLSRUSA-N 2 1 343.559 3.803 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000442922573 1025599646 /nfs/dbraw/zinc/59/96/46/1025599646.db2.gz OUTVBCVYZZMHTQ-KRWDZBQOSA-N 2 1 334.467 3.586 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121691563 1025645989 /nfs/dbraw/zinc/64/59/89/1025645989.db2.gz SDVFECCXPKVTHJ-ZCNNSNEGSA-N 2 1 328.500 3.576 20 0 EHADMP Clc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261933869 1025647083 /nfs/dbraw/zinc/64/70/83/1025647083.db2.gz CZSXWGGAQYWAQF-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP CN1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC000436396411 1025674779 /nfs/dbraw/zinc/67/47/79/1025674779.db2.gz XKIZDYPANGDGHJ-FQEVSTJZSA-N 2 1 349.522 3.549 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000530355055 1025697628 /nfs/dbraw/zinc/69/76/28/1025697628.db2.gz ZUCPFBGTTRRNSO-GOSISDBHSA-N 2 1 325.456 3.779 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000530407363 1025780085 /nfs/dbraw/zinc/78/00/85/1025780085.db2.gz VAZOMXSUPARCHR-INIZCTEOSA-N 2 1 338.480 3.753 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639256536 1025784415 /nfs/dbraw/zinc/78/44/15/1025784415.db2.gz AYGDNJOBWAKYDK-KAGYGMCKSA-N 2 1 341.543 3.676 20 0 EHADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639256536 1025784429 /nfs/dbraw/zinc/78/44/29/1025784429.db2.gz AYGDNJOBWAKYDK-KAGYGMCKSA-N 3 1 341.543 3.676 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639256536 1025784448 /nfs/dbraw/zinc/78/44/48/1025784448.db2.gz AYGDNJOBWAKYDK-KAGYGMCKSA-N 3 1 341.543 3.676 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639256536 1025784468 /nfs/dbraw/zinc/78/44/68/1025784468.db2.gz AYGDNJOBWAKYDK-KAGYGMCKSA-N 3 1 341.543 3.676 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639256536 1025784489 /nfs/dbraw/zinc/78/44/89/1025784489.db2.gz AYGDNJOBWAKYDK-KAGYGMCKSA-N 3 1 341.543 3.676 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCO1 ZINC000648421860 1026050355 /nfs/dbraw/zinc/05/03/55/1026050355.db2.gz AYBMEGHAXASUIG-IOMROCGXSA-N 2 1 330.516 3.966 20 0 EHADMP Brc1ccccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000048820057 1026274663 /nfs/dbraw/zinc/27/46/63/1026274663.db2.gz RAKSMZIDCYNJGP-UHFFFAOYSA-N 2 1 342.240 3.925 20 0 EHADMP C[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000582447388 1026281113 /nfs/dbraw/zinc/28/11/13/1026281113.db2.gz JVDNRAWWIMMZGQ-TYPHKJRUSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447388 1026281123 /nfs/dbraw/zinc/28/11/23/1026281123.db2.gz JVDNRAWWIMMZGQ-TYPHKJRUSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447388 1026281133 /nfs/dbraw/zinc/28/11/33/1026281133.db2.gz JVDNRAWWIMMZGQ-TYPHKJRUSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447388 1026281139 /nfs/dbraw/zinc/28/11/39/1026281139.db2.gz JVDNRAWWIMMZGQ-TYPHKJRUSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447388 1026281151 /nfs/dbraw/zinc/28/11/51/1026281151.db2.gz JVDNRAWWIMMZGQ-TYPHKJRUSA-N 2 1 343.559 3.607 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]CCCCOc3ccccc3)C2)cc1 ZINC000475278672 1026428163 /nfs/dbraw/zinc/42/81/63/1026428163.db2.gz JGTXSFQPXCNIKR-NRFANRHFSA-N 2 1 338.495 3.957 20 0 EHADMP CCCc1cc(N2CC[NH+](Cc3ccncc3)CC2)c2ccccc2[nH+]1 ZINC000301789408 1026938863 /nfs/dbraw/zinc/93/88/63/1026938863.db2.gz NCHZFYQMNOTHJO-UHFFFAOYSA-N 2 1 346.478 3.905 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139040 1026950686 /nfs/dbraw/zinc/95/06/86/1026950686.db2.gz CJYLRHOBOUTJKO-DNVCBOLYSA-N 2 1 336.907 3.804 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139040 1026950696 /nfs/dbraw/zinc/95/06/96/1026950696.db2.gz CJYLRHOBOUTJKO-DNVCBOLYSA-N 2 1 336.907 3.804 20 0 EHADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123174388 1027007863 /nfs/dbraw/zinc/00/78/63/1027007863.db2.gz KWIQCALYVMJWLF-UHFFFAOYSA-N 2 1 346.494 3.749 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272757829 1027098398 /nfs/dbraw/zinc/09/83/98/1027098398.db2.gz PJPFPWJKEZMKAX-LPHOPBHVSA-N 2 1 344.524 3.864 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453073385 1027287881 /nfs/dbraw/zinc/28/78/81/1027287881.db2.gz QSQLDVZCKNPJSW-HMXCVIKNSA-N 2 1 339.483 3.824 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453073385 1027287894 /nfs/dbraw/zinc/28/78/94/1027287894.db2.gz QSQLDVZCKNPJSW-HMXCVIKNSA-N 2 1 339.483 3.824 20 0 EHADMP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443064721 1027453579 /nfs/dbraw/zinc/45/35/79/1027453579.db2.gz YRZCITWQMKDWJB-HNNXBMFYSA-N 2 1 330.501 3.756 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000420311154 1027456725 /nfs/dbraw/zinc/45/67/25/1027456725.db2.gz NJDFZUWHEANFTE-RBUKOAKNSA-N 2 1 339.483 3.724 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000420311154 1027456737 /nfs/dbraw/zinc/45/67/37/1027456737.db2.gz NJDFZUWHEANFTE-RBUKOAKNSA-N 2 1 339.483 3.724 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309548 1027457471 /nfs/dbraw/zinc/45/74/71/1027457471.db2.gz OOSYORJRZAQXIL-XPIZARPCSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309548 1027457484 /nfs/dbraw/zinc/45/74/84/1027457484.db2.gz OOSYORJRZAQXIL-XPIZARPCSA-N 2 1 347.462 3.761 20 0 EHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420311623 1027457602 /nfs/dbraw/zinc/45/76/02/1027457602.db2.gz HFBUJWXXZVBUJV-VQIMIIECSA-N 2 1 326.488 3.583 20 0 EHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420311619 1027458006 /nfs/dbraw/zinc/45/80/06/1027458006.db2.gz HFBUJWXXZVBUJV-QFBILLFUSA-N 2 1 326.488 3.583 20 0 EHADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337798 1027470291 /nfs/dbraw/zinc/47/02/91/1027470291.db2.gz XAZDTIMFTVHCTC-STQMWFEESA-N 2 1 343.298 3.742 20 0 EHADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337798 1027470299 /nfs/dbraw/zinc/47/02/99/1027470299.db2.gz XAZDTIMFTVHCTC-STQMWFEESA-N 2 1 343.298 3.742 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324182 1027478245 /nfs/dbraw/zinc/47/82/45/1027478245.db2.gz GXHYOWOZEYJKPE-QWHCGFSZSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324182 1027478252 /nfs/dbraw/zinc/47/82/52/1027478252.db2.gz GXHYOWOZEYJKPE-QWHCGFSZSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334941 1027482672 /nfs/dbraw/zinc/48/26/72/1027482672.db2.gz UOPUJXAKSPRMJT-TZMCWYRMSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334941 1027482683 /nfs/dbraw/zinc/48/26/83/1027482683.db2.gz UOPUJXAKSPRMJT-TZMCWYRMSA-N 2 1 343.298 3.742 20 0 EHADMP COc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CCCCC2)cc1OC ZINC000420382174 1027502139 /nfs/dbraw/zinc/50/21/39/1027502139.db2.gz YPGBTOFDWVHPIE-KRWDZBQOSA-N 2 1 346.515 3.838 20 0 EHADMP C[C@@H]([NH2+]CCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000420392409 1027508973 /nfs/dbraw/zinc/50/89/73/1027508973.db2.gz BJYSUJZAGBEPRT-SNVBAGLBSA-N 2 1 340.290 3.572 20 0 EHADMP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655718762 1027511496 /nfs/dbraw/zinc/51/14/96/1027511496.db2.gz MBZQOZGNMVMURR-BHYGNILZSA-N 2 1 348.453 3.588 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000501788028 1027537935 /nfs/dbraw/zinc/53/79/35/1027537935.db2.gz CHJXKGNVPPSTOJ-UHFFFAOYSA-N 2 1 340.458 3.535 20 0 EHADMP CC[C@H](C[N@@H+](CC)CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000501960445 1027667743 /nfs/dbraw/zinc/66/77/43/1027667743.db2.gz YYFMVSPHJJLAMU-OAQYLSRUSA-N 2 1 345.575 3.918 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414666902 1027769738 /nfs/dbraw/zinc/76/97/38/1027769738.db2.gz XBJGCJPGHRASAK-LPHOPBHVSA-N 2 1 342.458 3.964 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccnn2C2CCC2)c1 ZINC000924956606 1027848280 /nfs/dbraw/zinc/84/82/80/1027848280.db2.gz ABCZUNDZVRQSHS-MRXNPFEDSA-N 2 1 326.488 3.911 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C(C)(C)C)c1 ZINC000414682207 1027871461 /nfs/dbraw/zinc/87/14/61/1027871461.db2.gz YCYRQQJOHIHWID-CVEARBPZSA-N 2 1 334.504 3.692 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000339064941 1027891962 /nfs/dbraw/zinc/89/19/62/1027891962.db2.gz AMJLPIAQJZGUGU-COPCDDAFSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064941 1027891977 /nfs/dbraw/zinc/89/19/77/1027891977.db2.gz AMJLPIAQJZGUGU-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064941 1027891990 /nfs/dbraw/zinc/89/19/90/1027891990.db2.gz AMJLPIAQJZGUGU-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000339064941 1027891997 /nfs/dbraw/zinc/89/19/97/1027891997.db2.gz AMJLPIAQJZGUGU-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000339064941 1027892007 /nfs/dbraw/zinc/89/20/07/1027892007.db2.gz AMJLPIAQJZGUGU-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064941 1027892017 /nfs/dbraw/zinc/89/20/17/1027892017.db2.gz AMJLPIAQJZGUGU-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064941 1027892030 /nfs/dbraw/zinc/89/20/30/1027892030.db2.gz AMJLPIAQJZGUGU-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068883 1027898601 /nfs/dbraw/zinc/89/86/01/1027898601.db2.gz IKXJISHZVNLUFU-YADHBBJMSA-N 3 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068883 1027898621 /nfs/dbraw/zinc/89/86/21/1027898621.db2.gz IKXJISHZVNLUFU-YADHBBJMSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068883 1027898627 /nfs/dbraw/zinc/89/86/27/1027898627.db2.gz IKXJISHZVNLUFU-YADHBBJMSA-N 2 1 341.543 3.635 20 0 EHADMP Fc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422782818 1027936779 /nfs/dbraw/zinc/93/67/79/1027936779.db2.gz NHILSBQZFWVWHX-IEBWSBKVSA-N 2 1 346.833 3.825 20 0 EHADMP CC[C@H](c1ccccc1)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984920 1027941885 /nfs/dbraw/zinc/94/18/85/1027941885.db2.gz VJDAXZDZZYPJLP-OAQYLSRUSA-N 2 1 329.532 3.630 20 0 EHADMP COc1cccc(C2(C[NH2+][C@H](C)c3c[nH+]ccc3N)CCCC2)c1 ZINC000422882444 1028016149 /nfs/dbraw/zinc/01/61/49/1028016149.db2.gz AUCKLHXCPRSOOS-OAHLLOKOSA-N 2 1 325.456 3.665 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883949 1028017493 /nfs/dbraw/zinc/01/74/93/1028017493.db2.gz VZAKANHQFJPTCP-WTGUMLROSA-N 2 1 345.531 3.625 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)C1 ZINC000422871387 1028031721 /nfs/dbraw/zinc/03/17/21/1028031721.db2.gz ZYKRFBWKSWTMLZ-MPQSDHOMSA-N 3 1 329.532 3.526 20 0 EHADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422874611 1028032221 /nfs/dbraw/zinc/03/22/21/1028032221.db2.gz NWYHNCODEVNSOE-SFYZADRCSA-N 2 1 327.202 3.810 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000422897779 1028034809 /nfs/dbraw/zinc/03/48/09/1028034809.db2.gz CUFHYKOLSNZFQO-OALUTQOASA-N 2 1 336.414 3.554 20 0 EHADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422901833 1028038249 /nfs/dbraw/zinc/03/82/49/1028038249.db2.gz SJMDGQFBHHDOFR-KNQAVFIVSA-N 2 1 343.559 3.860 20 0 EHADMP C[C@@H](CC1CCCC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533548922 1028064924 /nfs/dbraw/zinc/06/49/24/1028064924.db2.gz IZJFUSPEMGNZTI-FUHWJXTLSA-N 2 1 335.561 3.595 20 0 EHADMP C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422950165 1028087953 /nfs/dbraw/zinc/08/79/53/1028087953.db2.gz XFUXRVLJENUJBV-SCLBCKFNSA-N 2 1 345.284 3.736 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423014822 1028128324 /nfs/dbraw/zinc/12/83/24/1028128324.db2.gz JLUIRAKCPUNICT-KRZXBLKESA-N 2 1 342.527 3.588 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423060454 1028154145 /nfs/dbraw/zinc/15/41/45/1028154145.db2.gz OKQSDTPHIHVKOW-IAGOWNOFSA-N 2 1 331.257 3.992 20 0 EHADMP Cc1noc(C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c2ccccc2)n1 ZINC000423071332 1028161840 /nfs/dbraw/zinc/16/18/40/1028161840.db2.gz FIOAZWMWPXFDPS-MNEFBYGVSA-N 2 1 342.487 3.562 20 0 EHADMP COCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000347379220 1028162718 /nfs/dbraw/zinc/16/27/18/1028162718.db2.gz PHRRPZZWIYPZKF-OAQYLSRUSA-N 2 1 330.516 3.791 20 0 EHADMP COCCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000347379220 1028162734 /nfs/dbraw/zinc/16/27/34/1028162734.db2.gz PHRRPZZWIYPZKF-OAQYLSRUSA-N 2 1 330.516 3.791 20 0 EHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146217 1028205962 /nfs/dbraw/zinc/20/59/62/1028205962.db2.gz OQAPGOWKSOKFSD-HAGHYFMRSA-N 2 1 347.572 3.522 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cnc2ccsc2c1 ZINC000423185632 1028232556 /nfs/dbraw/zinc/23/25/56/1028232556.db2.gz JVPCHUKDVFPHRE-CQSZACIVSA-N 2 1 326.469 3.522 20 0 EHADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423168917 1028240205 /nfs/dbraw/zinc/24/02/05/1028240205.db2.gz VJFKORULUVQZMF-DABHTEOTSA-N 2 1 348.918 3.723 20 0 EHADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000423182130 1028249582 /nfs/dbraw/zinc/24/95/82/1028249582.db2.gz PWDZGMVWKXLQDS-PCCBWWKXSA-N 2 1 341.543 3.538 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423265767 1028301717 /nfs/dbraw/zinc/30/17/17/1028301717.db2.gz CZIMTXSCOGQQHH-OLZOCXBDSA-N 2 1 329.307 3.559 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459372961 1028333532 /nfs/dbraw/zinc/33/35/32/1028333532.db2.gz IDPRQSTVOXGFNC-UHFFFAOYSA-N 2 1 336.479 3.686 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C3CC3)s2)cc1 ZINC000423313155 1028345202 /nfs/dbraw/zinc/34/52/02/1028345202.db2.gz FFBXSBOPHNEAPR-ZBEGNZNMSA-N 2 1 331.485 3.515 20 0 EHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H](C)[NH3+] ZINC000423324062 1028361638 /nfs/dbraw/zinc/36/16/38/1028361638.db2.gz HVHRUTLTLWHPMC-MDZRGWNJSA-N 2 1 331.504 3.619 20 0 EHADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2([NH3+])CCC2)CCC3)cc1 ZINC000423329267 1028366903 /nfs/dbraw/zinc/36/69/03/1028366903.db2.gz ONXOBMRIYIGSPB-HNNXBMFYSA-N 2 1 327.497 3.967 20 0 EHADMP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423332255 1028367373 /nfs/dbraw/zinc/36/73/73/1028367373.db2.gz PGFQQGKATNHBCQ-HZPDHXFCSA-N 2 1 325.294 3.880 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC[NH2+]1 ZINC000423388069 1028402795 /nfs/dbraw/zinc/40/27/95/1028402795.db2.gz SXQKCKXWDVLVRY-AKWBHNSASA-N 2 1 341.268 3.769 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000504088974 1028412608 /nfs/dbraw/zinc/41/26/08/1028412608.db2.gz UAMMRURNBSXRBG-HDICACEKSA-N 2 1 340.515 3.843 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000504088974 1028412618 /nfs/dbraw/zinc/41/26/18/1028412618.db2.gz UAMMRURNBSXRBG-HDICACEKSA-N 2 1 340.515 3.843 20 0 EHADMP CC[N@@H+](CCC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000414741075 1028415944 /nfs/dbraw/zinc/41/59/44/1028415944.db2.gz HAUIKEXFDUSOHN-CYBMUJFWSA-N 2 1 329.307 3.657 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414742807 1028424613 /nfs/dbraw/zinc/42/46/13/1028424613.db2.gz UHMGNMMTPGXFNG-QNBZTBGESA-N 2 1 336.479 3.950 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000729681297 1028440898 /nfs/dbraw/zinc/44/08/98/1028440898.db2.gz OTNRNNAMMIKLJN-NSHDSACASA-N 2 1 343.500 3.547 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCC2)cc1 ZINC000423505228 1028469714 /nfs/dbraw/zinc/46/97/14/1028469714.db2.gz GSAUYUIIDIZQPN-LZBANZJXSA-N 2 1 341.543 3.642 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423494828 1028479182 /nfs/dbraw/zinc/47/91/82/1028479182.db2.gz BBWQQZREWAKRBY-BZNIZROVSA-N 2 1 343.284 3.626 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[NH2+]C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423533814 1028487531 /nfs/dbraw/zinc/48/75/31/1028487531.db2.gz YUHNUXRYPMMZJQ-ZDUSSCGKSA-N 2 1 332.879 3.627 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754162 1028549631 /nfs/dbraw/zinc/54/96/31/1028549631.db2.gz NJKBVUWAULEAEJ-XNJGSVPQSA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754162 1028549646 /nfs/dbraw/zinc/54/96/46/1028549646.db2.gz NJKBVUWAULEAEJ-XNJGSVPQSA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754162 1028549652 /nfs/dbraw/zinc/54/96/52/1028549652.db2.gz NJKBVUWAULEAEJ-XNJGSVPQSA-N 2 1 332.879 3.741 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1F ZINC000194865123 1028555168 /nfs/dbraw/zinc/55/51/68/1028555168.db2.gz FQYHTHHSWQZMQJ-ZDUSSCGKSA-N 2 1 325.387 3.876 20 0 EHADMP C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414757934 1028585559 /nfs/dbraw/zinc/58/55/59/1028585559.db2.gz MCJRCUOGQRICGR-HZSPNIEDSA-N 2 1 325.294 3.830 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122901585 1028766471 /nfs/dbraw/zinc/76/64/71/1028766471.db2.gz JISAVPHPNGOOFZ-GOSISDBHSA-N 2 1 338.495 3.620 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1NC(C)=O ZINC000247978941 1028837819 /nfs/dbraw/zinc/83/78/19/1028837819.db2.gz LYAIYNYRUWJHGQ-HZPDHXFCSA-N 2 1 347.503 3.569 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1NC(C)=O ZINC000247978941 1028837837 /nfs/dbraw/zinc/83/78/37/1028837837.db2.gz LYAIYNYRUWJHGQ-HZPDHXFCSA-N 2 1 347.503 3.569 20 0 EHADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502921188 1028869252 /nfs/dbraw/zinc/86/92/52/1028869252.db2.gz ULGBSMMARXXDNN-IEBWSBKVSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502921188 1028869269 /nfs/dbraw/zinc/86/92/69/1028869269.db2.gz ULGBSMMARXXDNN-IEBWSBKVSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502921188 1028869291 /nfs/dbraw/zinc/86/92/91/1028869291.db2.gz ULGBSMMARXXDNN-IEBWSBKVSA-N 2 1 331.504 3.600 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1c(Cl)ccc3cccnc31)CC[NH2+]CC2 ZINC000424284111 1028959195 /nfs/dbraw/zinc/95/91/95/1028959195.db2.gz CLEYQTUYZIYTHC-CQSZACIVSA-N 2 1 329.875 3.852 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000249039705 1028978665 /nfs/dbraw/zinc/97/86/65/1028978665.db2.gz UJYZFGNUOLOEJG-QLIIJSOBSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000249039705 1028978679 /nfs/dbraw/zinc/97/86/79/1028978679.db2.gz UJYZFGNUOLOEJG-QLIIJSOBSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000583147609 1028985024 /nfs/dbraw/zinc/98/50/24/1028985024.db2.gz OYNUEGJLVAIQHU-SFHVURJKSA-N 2 1 327.497 3.607 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(C(F)(F)F)ccc1F)CC[NH2+]CC2 ZINC000424378846 1029037882 /nfs/dbraw/zinc/03/78/82/1029037882.db2.gz OAUBOKFVFUYGJL-GFCCVEGCSA-N 2 1 330.369 3.809 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414786077 1029051869 /nfs/dbraw/zinc/05/18/69/1029051869.db2.gz TYZSKDXECXOXKW-RTBURBONSA-N 2 1 346.515 3.696 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117353 1029062182 /nfs/dbraw/zinc/06/21/82/1029062182.db2.gz ZSWVPKFMYYUTFV-SJORKVTESA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117353 1029062198 /nfs/dbraw/zinc/06/21/98/1029062198.db2.gz ZSWVPKFMYYUTFV-SJORKVTESA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117353 1029062208 /nfs/dbraw/zinc/06/22/08/1029062208.db2.gz ZSWVPKFMYYUTFV-SJORKVTESA-N 2 1 336.907 3.915 20 0 EHADMP C[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@H]1O ZINC000245715295 1029118812 /nfs/dbraw/zinc/11/88/12/1029118812.db2.gz NYNZXPZNPWWMNY-PVIWCNJMSA-N 2 1 342.527 3.713 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245729844 1029180623 /nfs/dbraw/zinc/18/06/23/1029180623.db2.gz VWQYJZQZUAWORS-VQIMIIECSA-N 2 1 340.471 3.528 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245729844 1029180637 /nfs/dbraw/zinc/18/06/37/1029180637.db2.gz VWQYJZQZUAWORS-VQIMIIECSA-N 2 1 340.471 3.528 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414802006 1029202115 /nfs/dbraw/zinc/20/21/15/1029202115.db2.gz VBZQJZQUGMUFDJ-LBPRGKRZSA-N 2 1 339.199 3.541 20 0 EHADMP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744453 1029229556 /nfs/dbraw/zinc/22/95/56/1029229556.db2.gz SGHKFTQKYUWOCH-JKLQHZFJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744453 1029229570 /nfs/dbraw/zinc/22/95/70/1029229570.db2.gz SGHKFTQKYUWOCH-JKLQHZFJSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744453 1029229588 /nfs/dbraw/zinc/22/95/88/1029229588.db2.gz SGHKFTQKYUWOCH-JKLQHZFJSA-N 3 1 341.543 3.504 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C3)cc1 ZINC000245763325 1029261124 /nfs/dbraw/zinc/26/11/24/1029261124.db2.gz VYFQMXHGTJEODQ-KOUNCHBCSA-N 3 1 341.543 3.648 20 0 EHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C3)cc1 ZINC000245763325 1029261143 /nfs/dbraw/zinc/26/11/43/1029261143.db2.gz VYFQMXHGTJEODQ-KOUNCHBCSA-N 2 1 341.543 3.648 20 0 EHADMP CCC(CC)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245767911 1029264906 /nfs/dbraw/zinc/26/49/06/1029264906.db2.gz WSOJWQMYTRJWCZ-BURNTYAHSA-N 2 1 330.516 3.569 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000245783921 1029293022 /nfs/dbraw/zinc/29/30/22/1029293022.db2.gz UWQQSXQKAWFIFU-ZFWWWQNUSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000245783921 1029293032 /nfs/dbraw/zinc/29/30/32/1029293032.db2.gz UWQQSXQKAWFIFU-ZFWWWQNUSA-N 2 1 340.895 3.662 20 0 EHADMP CC[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647937748 1029330128 /nfs/dbraw/zinc/33/01/28/1029330128.db2.gz AHUHGHLPAOOMOW-WIYYLYMNSA-N 2 1 338.495 3.852 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272197901 1029356285 /nfs/dbraw/zinc/35/62/85/1029356285.db2.gz NVNWABGEEAFLAL-QAPCUYQASA-N 2 1 329.875 3.735 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000348521642 1029366177 /nfs/dbraw/zinc/36/61/77/1029366177.db2.gz RGAMRYYIIWFQOL-WOJBJXKFSA-N 2 1 327.472 3.699 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414816734 1029370680 /nfs/dbraw/zinc/37/06/80/1029370680.db2.gz QIJCTWVDVXATCW-SMDDNHRTSA-N 2 1 331.273 3.626 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000162749712 1029382845 /nfs/dbraw/zinc/38/28/45/1029382845.db2.gz WLDROIHVTSEMKV-MZNJEOGPSA-N 2 1 344.524 3.597 20 0 EHADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000078758909 1029440341 /nfs/dbraw/zinc/44/03/41/1029440341.db2.gz AAHDEYUIDOJYNL-CYBMUJFWSA-N 2 1 334.261 3.528 20 0 EHADMP C[N@@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000286240933 1029463883 /nfs/dbraw/zinc/46/38/83/1029463883.db2.gz CIZLFRCMSRFYNA-RBBKRZOGSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@@H](O)c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286240933 1029463896 /nfs/dbraw/zinc/46/38/96/1029463896.db2.gz CIZLFRCMSRFYNA-RBBKRZOGSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286240933 1029463908 /nfs/dbraw/zinc/46/39/08/1029463908.db2.gz CIZLFRCMSRFYNA-RBBKRZOGSA-N 2 1 338.495 3.564 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000505352873 1029486787 /nfs/dbraw/zinc/48/67/87/1029486787.db2.gz ZCTONWPJTGYCOP-HDICACEKSA-N 2 1 329.532 3.695 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272504199 1029487076 /nfs/dbraw/zinc/48/70/76/1029487076.db2.gz ODWRIFOHFDUVDT-YJBOKZPZSA-N 2 1 327.472 3.546 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272504199 1029487080 /nfs/dbraw/zinc/48/70/80/1029487080.db2.gz ODWRIFOHFDUVDT-YJBOKZPZSA-N 2 1 327.472 3.546 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414831629 1029488864 /nfs/dbraw/zinc/48/88/64/1029488864.db2.gz DHDXJYSRVZENCK-AWEZNQCLSA-N 2 1 345.874 3.537 20 0 EHADMP CCCC[NH+]1CCC(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538801 1029502857 /nfs/dbraw/zinc/50/28/57/1029502857.db2.gz CFNOGGWZVDIJPT-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272538801 1029502865 /nfs/dbraw/zinc/50/28/65/1029502865.db2.gz CFNOGGWZVDIJPT-CTNGQTDRSA-N 3 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538801 1029502874 /nfs/dbraw/zinc/50/28/74/1029502874.db2.gz CFNOGGWZVDIJPT-CTNGQTDRSA-N 3 1 343.559 3.751 20 0 EHADMP FC(F)(F)c1cccc([C@@]2(F)CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261878127 1029523197 /nfs/dbraw/zinc/52/31/97/1029523197.db2.gz VXTWVAKIAUCTTE-MRXNPFEDSA-N 2 1 330.369 3.576 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)o1 ZINC000125486792 1029529907 /nfs/dbraw/zinc/52/99/07/1029529907.db2.gz TZPBPEKBIDNJHC-QGZVFWFLSA-N 2 1 342.483 3.948 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000272628374 1029541670 /nfs/dbraw/zinc/54/16/70/1029541670.db2.gz AIVLSSOEWDKFPZ-BHDDXSALSA-N 2 1 335.495 3.514 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@@H]1C ZINC000508695669 1029740164 /nfs/dbraw/zinc/74/01/64/1029740164.db2.gz ILHRQYRCVJETDL-XWUOBKMESA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@@H]1C ZINC000508695669 1029740173 /nfs/dbraw/zinc/74/01/73/1029740173.db2.gz ILHRQYRCVJETDL-XWUOBKMESA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@@H]1C ZINC000508695669 1029740178 /nfs/dbraw/zinc/74/01/78/1029740178.db2.gz ILHRQYRCVJETDL-XWUOBKMESA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]CCOC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714443 1029774978 /nfs/dbraw/zinc/77/49/78/1029774978.db2.gz HDLSUOMUYGRAFK-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453198834 1029897486 /nfs/dbraw/zinc/89/74/86/1029897486.db2.gz ONVPCQCOURRWIO-MLBCHFTJSA-N 2 1 342.527 3.570 20 0 EHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000447072671 1029922556 /nfs/dbraw/zinc/92/25/56/1029922556.db2.gz MSVLIBWMSFNXCP-INIZCTEOSA-N 2 1 332.488 3.686 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@@H+]1C ZINC000453236142 1029959681 /nfs/dbraw/zinc/95/96/81/1029959681.db2.gz KITJFNKOIXIUAL-GXTWGEPZSA-N 2 1 328.378 3.647 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC000453236142 1029959698 /nfs/dbraw/zinc/95/96/98/1029959698.db2.gz KITJFNKOIXIUAL-GXTWGEPZSA-N 2 1 328.378 3.647 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000650707173 1030014015 /nfs/dbraw/zinc/01/40/15/1030014015.db2.gz ZZQOCJIHVOEHJU-UNEWFSDZSA-N 2 1 343.298 3.712 20 0 EHADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000657768402 1030022919 /nfs/dbraw/zinc/02/29/19/1030022919.db2.gz KYPLALRHYDHKKW-OAQYLSRUSA-N 2 1 348.506 3.627 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980723 1030197243 /nfs/dbraw/zinc/19/72/43/1030197243.db2.gz DQELSQYSSSZLAS-IKGGRYGDSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980723 1030197247 /nfs/dbraw/zinc/19/72/47/1030197247.db2.gz DQELSQYSSSZLAS-IKGGRYGDSA-N 2 1 331.504 3.599 20 0 EHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723590 1030211356 /nfs/dbraw/zinc/21/13/56/1030211356.db2.gz QMLSWXHNSBQXOZ-CVAIRZPRSA-N 2 1 328.456 3.602 20 0 EHADMP C[C@@H]([NH2+]CCOCC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453411174 1030224588 /nfs/dbraw/zinc/22/45/88/1030224588.db2.gz XKEJORHGHNRIDX-WIYYLYMNSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482171503 1030242523 /nfs/dbraw/zinc/24/25/23/1030242523.db2.gz TVVGAMQCVKYLCY-SFHVURJKSA-N 2 1 330.516 3.798 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)O1 ZINC000657773923 1030268823 /nfs/dbraw/zinc/26/88/23/1030268823.db2.gz WELVNRVTCAHBCG-YHELAOLJSA-N 2 1 342.527 3.834 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3ccsc3)CCCC2)CC1 ZINC000532230985 1030495710 /nfs/dbraw/zinc/49/57/10/1030495710.db2.gz QSLHNWUQXNKDPB-MRXNPFEDSA-N 2 1 336.545 3.692 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000532273587 1030519476 /nfs/dbraw/zinc/51/94/76/1030519476.db2.gz BLRBWDAGSFCZMK-OXQOHEQNSA-N 2 1 328.500 3.711 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447854909 1030544366 /nfs/dbraw/zinc/54/43/66/1030544366.db2.gz OOOMJTYSTLZVTB-KRWDZBQOSA-N 2 1 326.488 3.821 20 0 EHADMP c1c2ccncc2sc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000668091520 1030591800 /nfs/dbraw/zinc/59/18/00/1030591800.db2.gz ISQMFFAWEUZBRR-KDURUIRLSA-N 2 1 349.503 3.860 20 0 EHADMP c1c2ccncc2sc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000668091520 1030591851 /nfs/dbraw/zinc/59/18/51/1030591851.db2.gz ISQMFFAWEUZBRR-KDURUIRLSA-N 2 1 349.503 3.860 20 0 EHADMP c1c2ccncc2sc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000668091520 1030591857 /nfs/dbraw/zinc/59/18/57/1030591857.db2.gz ISQMFFAWEUZBRR-KDURUIRLSA-N 2 1 349.503 3.860 20 0 EHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448020456 1030650220 /nfs/dbraw/zinc/65/02/20/1030650220.db2.gz CCAHIUKVLHHTTD-IPMKNSEASA-N 2 1 332.536 3.546 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448020456 1030650225 /nfs/dbraw/zinc/65/02/25/1030650225.db2.gz CCAHIUKVLHHTTD-IPMKNSEASA-N 2 1 332.536 3.546 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1Br ZINC000650751905 1030683546 /nfs/dbraw/zinc/68/35/46/1030683546.db2.gz DZNMLEKHNHQDCF-LLVKDONJSA-N 2 1 337.236 3.898 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650753202 1030693785 /nfs/dbraw/zinc/69/37/85/1030693785.db2.gz ITHOBPJTQITYAP-AWEZNQCLSA-N 3 1 338.430 3.629 20 0 EHADMP CC(C)CC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000482827029 1030736031 /nfs/dbraw/zinc/73/60/31/1030736031.db2.gz NONFUMNJZAPNFC-OAQYLSRUSA-N 2 1 344.543 3.772 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681712 1030745601 /nfs/dbraw/zinc/74/56/01/1030745601.db2.gz JMWROZLYCJWGFP-DZFGPLHGSA-N 2 1 348.531 3.873 20 0 EHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883243 1030760143 /nfs/dbraw/zinc/76/01/43/1030760143.db2.gz WVMVBJRYKLFAID-NJYVYQBISA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000482878238 1030778738 /nfs/dbraw/zinc/77/87/38/1030778738.db2.gz ZOTRCKMGQZIYRV-LSTHTHJFSA-N 2 1 349.950 3.767 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000583820469 1030848197 /nfs/dbraw/zinc/84/81/97/1030848197.db2.gz FGGVWMOLTWJFNB-UHFFFAOYSA-N 2 1 344.528 3.568 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457216 1030939658 /nfs/dbraw/zinc/93/96/58/1030939658.db2.gz MFDSYRJABNTQES-NYVOZVTQSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000551087710 1031031493 /nfs/dbraw/zinc/03/14/93/1031031493.db2.gz YIQFCTFWVLHRJN-ZFMNYDKASA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4cc[nH]c4c3)c2)CCO1 ZINC000527647041 1031074683 /nfs/dbraw/zinc/07/46/83/1031074683.db2.gz ZRXOZCWHDKPUMI-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4cc[nH]c4c3)c2)CCO1 ZINC000527647041 1031074699 /nfs/dbraw/zinc/07/46/99/1031074699.db2.gz ZRXOZCWHDKPUMI-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186532 1031091399 /nfs/dbraw/zinc/09/13/99/1031091399.db2.gz MHTOAQBPKLGYGV-MLGOLLRUSA-N 2 1 335.904 3.893 20 0 EHADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186532 1031091418 /nfs/dbraw/zinc/09/14/18/1031091418.db2.gz MHTOAQBPKLGYGV-MLGOLLRUSA-N 2 1 335.904 3.893 20 0 EHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000483299209 1031094784 /nfs/dbraw/zinc/09/47/84/1031094784.db2.gz UDXRFQWPFLOPJO-KBPBESRZSA-N 2 1 342.936 3.723 20 0 EHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(C)c1OC(F)F ZINC000537698378 1031141044 /nfs/dbraw/zinc/14/10/44/1031141044.db2.gz YMXBXZHFYDNANF-SJORKVTESA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698378 1031141052 /nfs/dbraw/zinc/14/10/52/1031141052.db2.gz YMXBXZHFYDNANF-SJORKVTESA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698378 1031141064 /nfs/dbraw/zinc/14/10/64/1031141064.db2.gz YMXBXZHFYDNANF-SJORKVTESA-N 2 1 338.442 3.821 20 0 EHADMP C[C@H](CC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551259737 1031167443 /nfs/dbraw/zinc/16/74/43/1031167443.db2.gz QIFSRACJYAQRQC-NQIIRXRSSA-N 2 1 342.527 3.693 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2O1 ZINC000537698922 1031225209 /nfs/dbraw/zinc/22/52/09/1031225209.db2.gz YXMNYABGDUPFOS-PXNSSMCTSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2O1 ZINC000537698922 1031225226 /nfs/dbraw/zinc/22/52/26/1031225226.db2.gz YXMNYABGDUPFOS-PXNSSMCTSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2O1 ZINC000537698922 1031225236 /nfs/dbraw/zinc/22/52/36/1031225236.db2.gz YXMNYABGDUPFOS-PXNSSMCTSA-N 2 1 340.511 3.849 20 0 EHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001279642163 1031230669 /nfs/dbraw/zinc/23/06/69/1031230669.db2.gz GWDAIZHUWJWPBG-GOSISDBHSA-N 2 1 336.564 3.904 20 0 EHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001279642163 1031230682 /nfs/dbraw/zinc/23/06/82/1031230682.db2.gz GWDAIZHUWJWPBG-GOSISDBHSA-N 2 1 336.564 3.904 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810937 1031247807 /nfs/dbraw/zinc/24/78/07/1031247807.db2.gz QCNIJIYTMORAJS-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810937 1031247817 /nfs/dbraw/zinc/24/78/17/1031247817.db2.gz QCNIJIYTMORAJS-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810937 1031247826 /nfs/dbraw/zinc/24/78/26/1031247826.db2.gz QCNIJIYTMORAJS-KAGYGMCKSA-N 2 1 341.543 3.646 20 0 EHADMP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000527798922 1031273206 /nfs/dbraw/zinc/27/32/06/1031273206.db2.gz IHUUTGZWMUJPNT-UHFFFAOYSA-N 2 1 340.471 3.595 20 0 EHADMP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000527798922 1031273211 /nfs/dbraw/zinc/27/32/11/1031273211.db2.gz IHUUTGZWMUJPNT-UHFFFAOYSA-N 2 1 340.471 3.595 20 0 EHADMP C[N@@H+](C[C@@H]1CC=CCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551394687 1031293996 /nfs/dbraw/zinc/29/39/96/1031293996.db2.gz MNPSTNPWZNVFBK-TZIWHRDSSA-N 2 1 328.500 3.566 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000483727727 1031314712 /nfs/dbraw/zinc/31/47/12/1031314712.db2.gz LFKQAUHQTIJTRH-SIKLNZKXSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000483727727 1031314732 /nfs/dbraw/zinc/31/47/32/1031314732.db2.gz LFKQAUHQTIJTRH-SIKLNZKXSA-N 3 1 343.559 3.609 20 0 EHADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854350 1031378788 /nfs/dbraw/zinc/37/87/88/1031378788.db2.gz CCDQPEAYFLHBAP-IFMALSPDSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854350 1031378806 /nfs/dbraw/zinc/37/88/06/1031378806.db2.gz CCDQPEAYFLHBAP-IFMALSPDSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854350 1031378825 /nfs/dbraw/zinc/37/88/25/1031378825.db2.gz CCDQPEAYFLHBAP-IFMALSPDSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483854350 1031378838 /nfs/dbraw/zinc/37/88/38/1031378838.db2.gz CCDQPEAYFLHBAP-IFMALSPDSA-N 2 1 345.575 3.996 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995687 1031431582 /nfs/dbraw/zinc/43/15/82/1031431582.db2.gz WJHHICHCPASEKG-LJQANCHMSA-N 2 1 337.467 3.522 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000760158641 1031451563 /nfs/dbraw/zinc/45/15/63/1031451563.db2.gz VYNGAMZILJBOFP-VXGBXAGGSA-N 2 1 330.303 3.958 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127864 1031460575 /nfs/dbraw/zinc/46/05/75/1031460575.db2.gz KVLXXPRBKXANET-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127864 1031460581 /nfs/dbraw/zinc/46/05/81/1031460581.db2.gz KVLXXPRBKXANET-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000484130341 1031461209 /nfs/dbraw/zinc/46/12/09/1031461209.db2.gz MFNGZYXXJAJMNY-CMKODMSKSA-N 2 1 329.532 3.580 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000484135440 1031474019 /nfs/dbraw/zinc/47/40/19/1031474019.db2.gz KWJSTKOKXTTYCN-UZLBHIALSA-N 2 1 344.524 3.598 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000484135440 1031474030 /nfs/dbraw/zinc/47/40/30/1031474030.db2.gz KWJSTKOKXTTYCN-UZLBHIALSA-N 2 1 344.524 3.598 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC000484169230 1031482762 /nfs/dbraw/zinc/48/27/62/1031482762.db2.gz BZHMPDYOAAMWJC-FXAWDEMLSA-N 2 1 348.506 3.584 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000484278470 1031515427 /nfs/dbraw/zinc/51/54/27/1031515427.db2.gz OWCVNNCCUCYIJX-AXIYNFMDSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168102203 1031636699 /nfs/dbraw/zinc/63/66/99/1031636699.db2.gz OKAKQOCZNUHYJV-QZHFEQFPSA-N 2 1 336.907 3.979 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168102206 1031637081 /nfs/dbraw/zinc/63/70/81/1031637081.db2.gz OKAKQOCZNUHYJV-UTRMSSBJSA-N 2 1 336.907 3.979 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168102201 1031637120 /nfs/dbraw/zinc/63/71/20/1031637120.db2.gz OKAKQOCZNUHYJV-AXUOBQJMSA-N 2 1 336.907 3.979 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000178757533 1031703243 /nfs/dbraw/zinc/70/32/43/1031703243.db2.gz JJCYFIYQBGXIOX-AWEZNQCLSA-N 2 1 329.444 3.563 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000178697907 1031714979 /nfs/dbraw/zinc/71/49/79/1031714979.db2.gz LVQVWMGDZDNTBK-GUYCJALGSA-N 2 1 333.863 3.985 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000178701829 1031716850 /nfs/dbraw/zinc/71/68/50/1031716850.db2.gz CXTCHENNIQCNTC-AUUYWEPGSA-N 2 1 327.472 3.948 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000178701849 1031718402 /nfs/dbraw/zinc/71/84/02/1031718402.db2.gz CXTCHENNIQCNTC-IFXJQAMLSA-N 2 1 327.472 3.948 20 0 EHADMP CCOCc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC ZINC000179914866 1031821833 /nfs/dbraw/zinc/82/18/33/1031821833.db2.gz ABWAZZHJPFMTGY-LJQANCHMSA-N 2 1 334.504 3.538 20 0 EHADMP CCOCc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC ZINC000179914866 1031821850 /nfs/dbraw/zinc/82/18/50/1031821850.db2.gz ABWAZZHJPFMTGY-LJQANCHMSA-N 2 1 334.504 3.538 20 0 EHADMP CCOCc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1OC ZINC000179914866 1031821864 /nfs/dbraw/zinc/82/18/64/1031821864.db2.gz ABWAZZHJPFMTGY-LJQANCHMSA-N 2 1 334.504 3.538 20 0 EHADMP CCOCc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1OC ZINC000179914866 1031821876 /nfs/dbraw/zinc/82/18/76/1031821876.db2.gz ABWAZZHJPFMTGY-LJQANCHMSA-N 2 1 334.504 3.538 20 0 EHADMP CCOCc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC ZINC000179914849 1031822719 /nfs/dbraw/zinc/82/27/19/1031822719.db2.gz ABWAZZHJPFMTGY-IBGZPJMESA-N 2 1 334.504 3.538 20 0 EHADMP CCOCc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC ZINC000179914849 1031822735 /nfs/dbraw/zinc/82/27/35/1031822735.db2.gz ABWAZZHJPFMTGY-IBGZPJMESA-N 2 1 334.504 3.538 20 0 EHADMP CCOCc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1OC ZINC000179914849 1031822750 /nfs/dbraw/zinc/82/27/50/1031822750.db2.gz ABWAZZHJPFMTGY-IBGZPJMESA-N 2 1 334.504 3.538 20 0 EHADMP CCOCc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1OC ZINC000179914849 1031822766 /nfs/dbraw/zinc/82/27/66/1031822766.db2.gz ABWAZZHJPFMTGY-IBGZPJMESA-N 2 1 334.504 3.538 20 0 EHADMP C[C@]1(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000904313463 1031939532 /nfs/dbraw/zinc/93/95/32/1031939532.db2.gz UTTIUWYKZYTHEV-IBGZPJMESA-N 2 1 334.891 3.624 20 0 EHADMP C[C@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000537846894 1031959811 /nfs/dbraw/zinc/95/98/11/1031959811.db2.gz XMSFEARSJLKRSZ-CQSZACIVSA-N 2 1 329.410 3.818 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1Oc1cccnc1 ZINC000904412896 1032024415 /nfs/dbraw/zinc/02/44/15/1032024415.db2.gz YUPWIVXZYHGIEV-AEFFLSMTSA-N 2 1 325.456 3.599 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)cc1C ZINC000151768331 1032052635 /nfs/dbraw/zinc/05/26/35/1032052635.db2.gz WASFEQVMCOVYMO-GFCCVEGCSA-N 2 1 336.277 3.688 20 0 EHADMP CCCC1CCC(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000685457961 1033347841 /nfs/dbraw/zinc/34/78/41/1033347841.db2.gz UVLOXRKGEJMVRZ-GRERDSQWSA-N 2 1 335.580 3.693 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574754614 1033355510 /nfs/dbraw/zinc/35/55/10/1033355510.db2.gz HYDGEFRBZDONHN-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574754614 1033355520 /nfs/dbraw/zinc/35/55/20/1033355520.db2.gz HYDGEFRBZDONHN-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000685463177 1033358602 /nfs/dbraw/zinc/35/86/02/1033358602.db2.gz XFESEOKVDYDGLX-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@H]1c1cccs1 ZINC000608059986 1033452848 /nfs/dbraw/zinc/45/28/48/1033452848.db2.gz UHTLKYYYMXFJTF-KUHUBIRLSA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@H]1c1cccs1 ZINC000608059986 1033452853 /nfs/dbraw/zinc/45/28/53/1033452853.db2.gz UHTLKYYYMXFJTF-KUHUBIRLSA-N 2 1 340.496 3.797 20 0 EHADMP C[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000574822603 1033575819 /nfs/dbraw/zinc/57/58/19/1033575819.db2.gz LKPQBFGCGCGYKJ-GOSISDBHSA-N 2 1 346.559 3.599 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598957471 1033591973 /nfs/dbraw/zinc/59/19/73/1033591973.db2.gz UPRZFSJQCYVLFQ-CQSZACIVSA-N 2 1 338.517 3.525 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598957471 1033591984 /nfs/dbraw/zinc/59/19/84/1033591984.db2.gz UPRZFSJQCYVLFQ-CQSZACIVSA-N 2 1 338.517 3.525 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000107370562 1033660575 /nfs/dbraw/zinc/66/05/75/1033660575.db2.gz CZPQNNXTXOIEPF-HSZRJFAPSA-N 2 1 349.522 3.565 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001168114795 1033665736 /nfs/dbraw/zinc/66/57/36/1033665736.db2.gz JHZANOXYJVDLFK-IRXDYDNUSA-N 2 1 334.529 3.604 20 0 EHADMP CCCC[C@@H](CC)COCCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001168114813 1033688381 /nfs/dbraw/zinc/68/83/81/1033688381.db2.gz ULDISGSDLKSTNC-GOSISDBHSA-N 2 1 348.535 3.526 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000093639356 1033800817 /nfs/dbraw/zinc/80/08/17/1033800817.db2.gz YPQIQZIBQZOEMK-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000093639356 1033800830 /nfs/dbraw/zinc/80/08/30/1033800830.db2.gz YPQIQZIBQZOEMK-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)[C@H]1c1cccs1 ZINC000550666166 1033836558 /nfs/dbraw/zinc/83/65/58/1033836558.db2.gz WZVUNAQQVPDYHX-UWVAXJGDSA-N 2 1 342.508 3.724 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)[C@H]1c1cccs1 ZINC000550666166 1033836572 /nfs/dbraw/zinc/83/65/72/1033836572.db2.gz WZVUNAQQVPDYHX-UWVAXJGDSA-N 2 1 342.508 3.724 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550699283 1033889151 /nfs/dbraw/zinc/88/91/51/1033889151.db2.gz HIAPDGLPJKYFRJ-VSKRKVRLSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550699283 1033889162 /nfs/dbraw/zinc/88/91/62/1033889162.db2.gz HIAPDGLPJKYFRJ-VSKRKVRLSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550699283 1033889176 /nfs/dbraw/zinc/88/91/76/1033889176.db2.gz HIAPDGLPJKYFRJ-VSKRKVRLSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000120637683 1034008440 /nfs/dbraw/zinc/00/84/40/1034008440.db2.gz DBXQQQJVPCPLBF-AZUAARDMSA-N 2 1 338.499 3.712 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000120637683 1034008451 /nfs/dbraw/zinc/00/84/51/1034008451.db2.gz DBXQQQJVPCPLBF-AZUAARDMSA-N 2 1 338.499 3.712 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000529530354 1034113655 /nfs/dbraw/zinc/11/36/55/1034113655.db2.gz DUMMURGHFNNWBK-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000529530354 1034113660 /nfs/dbraw/zinc/11/36/60/1034113660.db2.gz DUMMURGHFNNWBK-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H](C)C1 ZINC000658264282 1034127532 /nfs/dbraw/zinc/12/75/32/1034127532.db2.gz FFHLWKBQNAPQPS-ZLZJIPBDSA-N 2 1 344.490 3.681 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537322 1034166119 /nfs/dbraw/zinc/16/61/19/1034166119.db2.gz DHYTYMGNXDZDRI-KBPBESRZSA-N 2 1 328.472 3.984 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537322 1034166129 /nfs/dbraw/zinc/16/61/29/1034166129.db2.gz DHYTYMGNXDZDRI-KBPBESRZSA-N 2 1 328.472 3.984 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001168328509 1034188792 /nfs/dbraw/zinc/18/87/92/1034188792.db2.gz IQXJPCDWALOHPZ-UHFFFAOYSA-N 2 1 342.405 3.816 20 0 EHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456253505 1034237036 /nfs/dbraw/zinc/23/70/36/1034237036.db2.gz BCTNZOWXLOGFQD-GOSISDBHSA-N 2 1 340.471 3.584 20 0 EHADMP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000421854490 1034274522 /nfs/dbraw/zinc/27/45/22/1034274522.db2.gz LORSQWFLZHMPDV-UYAOXDASSA-N 2 1 327.516 3.716 20 0 EHADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)sn1 ZINC000404426541 1034529553 /nfs/dbraw/zinc/52/95/53/1034529553.db2.gz DNMNPZBTOLHQKM-AYHJJNSGSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sn1 ZINC000404426541 1034529562 /nfs/dbraw/zinc/52/95/62/1034529562.db2.gz DNMNPZBTOLHQKM-AYHJJNSGSA-N 2 1 327.497 3.737 20 0 EHADMP CC(C[NH+]1CC[C@@H](c2ccco2)C1)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000605576708 1034724338 /nfs/dbraw/zinc/72/43/38/1034724338.db2.gz OODSDGGOSKXDSV-QZTJIDSGSA-N 2 1 328.456 3.788 20 0 EHADMP CCC(CC)[N@H+](C1CCC(C)(C(=O)OC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168767472 1034788474 /nfs/dbraw/zinc/78/84/74/1034788474.db2.gz JTRJPGFIJHCLLE-DMVBEIBASA-N 2 1 338.536 3.869 20 0 EHADMP COCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926665455 1034893697 /nfs/dbraw/zinc/89/36/97/1034893697.db2.gz ZWCQGLQBKVGFMH-IHWFROFDSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000224107255 1035211593 /nfs/dbraw/zinc/21/15/93/1035211593.db2.gz KOCYJMGAQQDPGM-LOWVWBTDSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000548992060 1035406483 /nfs/dbraw/zinc/40/64/83/1035406483.db2.gz UEOZOXLWZDVWKE-ROUUACIJSA-N 2 1 330.516 3.834 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414070078 1035436066 /nfs/dbraw/zinc/43/60/66/1035436066.db2.gz SBKOLOHPWQIJFH-INIZCTEOSA-N 2 1 326.488 3.522 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085924 1035467397 /nfs/dbraw/zinc/46/73/97/1035467397.db2.gz YZBSFOAEHIZHAK-KURKYZTESA-N 2 1 340.515 3.749 20 0 EHADMP CCCOc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000571460516 1035499519 /nfs/dbraw/zinc/49/95/19/1035499519.db2.gz UPPZBLOVROSWOV-HNNXBMFYSA-N 2 1 331.460 3.501 20 0 EHADMP C[C@H]([NH2+]CCOc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351887 1035654947 /nfs/dbraw/zinc/65/49/47/1035654947.db2.gz NUKOEWWLIXFKNX-HKUYNNGSSA-N 2 1 342.458 3.705 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(CCOc2ccc(Cl)cc2Cl)C1 ZINC000173881266 1035692639 /nfs/dbraw/zinc/69/26/39/1035692639.db2.gz QUTPUOGODVYXCR-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000173893674 1035697270 /nfs/dbraw/zinc/69/72/70/1035697270.db2.gz DDDHSEKSPDWTAO-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136941 1035716418 /nfs/dbraw/zinc/71/64/18/1035716418.db2.gz JHBXMBMTYNIHNZ-ZFMNYDKASA-N 2 1 342.527 3.549 20 0 EHADMP Cc1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000187395250 1035814584 /nfs/dbraw/zinc/81/45/84/1035814584.db2.gz AAEOUYGGMSHUGB-UHFFFAOYSA-N 2 1 338.499 3.832 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169874 1035869018 /nfs/dbraw/zinc/86/90/18/1035869018.db2.gz BQRISIYQFUHEOA-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414172642 1035884501 /nfs/dbraw/zinc/88/45/01/1035884501.db2.gz FPUBTXAQAZFHLN-GOEBONIOSA-N 2 1 344.528 3.896 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000414187752 1035971082 /nfs/dbraw/zinc/97/10/82/1035971082.db2.gz PWSPDFUOGAHFJN-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689945 1035973992 /nfs/dbraw/zinc/97/39/92/1035973992.db2.gz UCCSSIRBSFMPRX-RTWAWAEBSA-N 2 1 326.484 3.610 20 0 EHADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689945 1035973995 /nfs/dbraw/zinc/97/39/95/1035973995.db2.gz UCCSSIRBSFMPRX-RTWAWAEBSA-N 2 1 326.484 3.610 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687507 1035974731 /nfs/dbraw/zinc/97/47/31/1035974731.db2.gz LCPPXJIEHNKGER-RXVVDRJESA-N 2 1 348.490 3.983 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687507 1035974737 /nfs/dbraw/zinc/97/47/37/1035974737.db2.gz LCPPXJIEHNKGER-RXVVDRJESA-N 2 1 348.490 3.983 20 0 EHADMP Brc1ccccc1CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000541283201 1036164638 /nfs/dbraw/zinc/16/46/38/1036164638.db2.gz ZTNHWMHHYVQSIL-OAHLLOKOSA-N 2 1 348.288 3.984 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000414247671 1036251650 /nfs/dbraw/zinc/25/16/50/1036251650.db2.gz ULBUSEXEXIKVSR-QMTHXVAHSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000414247671 1036251655 /nfs/dbraw/zinc/25/16/55/1036251655.db2.gz ULBUSEXEXIKVSR-QMTHXVAHSA-N 2 1 331.685 3.675 20 0 EHADMP COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nc1 ZINC000892579945 1036255056 /nfs/dbraw/zinc/25/50/56/1036255056.db2.gz DLNHQTJUDFPMGU-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nc1 ZINC000892579945 1036255070 /nfs/dbraw/zinc/25/50/70/1036255070.db2.gz DLNHQTJUDFPMGU-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)nc1 ZINC000892579945 1036255088 /nfs/dbraw/zinc/25/50/88/1036255088.db2.gz DLNHQTJUDFPMGU-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000648457721 1036442355 /nfs/dbraw/zinc/44/23/55/1036442355.db2.gz IJAHEKKUMXGZGQ-PMACEKPBSA-N 2 1 342.483 3.959 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCCS3)CC2)cc1 ZINC000541556506 1036449359 /nfs/dbraw/zinc/44/93/59/1036449359.db2.gz KPAHTGDBWPMOLZ-LJQANCHMSA-N 2 1 336.520 3.708 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572878423 1036541339 /nfs/dbraw/zinc/54/13/39/1036541339.db2.gz FUFRFSOUBMOBMN-LJQANCHMSA-N 2 1 328.500 3.732 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572878423 1036541352 /nfs/dbraw/zinc/54/13/52/1036541352.db2.gz FUFRFSOUBMOBMN-LJQANCHMSA-N 2 1 328.500 3.732 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000310913537 1036716162 /nfs/dbraw/zinc/71/61/62/1036716162.db2.gz PPYCHXSMFZTARP-CUXKYVRBSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc2ccccc21 ZINC000177298237 1036811867 /nfs/dbraw/zinc/81/18/67/1036811867.db2.gz WNCAFUKYAQQOJF-SFHVURJKSA-N 2 1 339.527 3.764 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)CSC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000162268375 1036830534 /nfs/dbraw/zinc/83/05/34/1036830534.db2.gz YYUYLGXPWDHYGE-CQSZACIVSA-N 2 1 336.549 3.572 20 0 EHADMP C[N@H+](CCOc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842312 1036884128 /nfs/dbraw/zinc/88/41/28/1036884128.db2.gz GFHGYOXCIZPTIL-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[N@@H+](CCOc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842312 1036884148 /nfs/dbraw/zinc/88/41/48/1036884148.db2.gz GFHGYOXCIZPTIL-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842312 1036884172 /nfs/dbraw/zinc/88/41/72/1036884172.db2.gz GFHGYOXCIZPTIL-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842312 1036884196 /nfs/dbraw/zinc/88/41/96/1036884196.db2.gz GFHGYOXCIZPTIL-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[N@H+](CCOc1cccc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847042 1036888007 /nfs/dbraw/zinc/88/80/07/1036888007.db2.gz TXFSLLLXPDGWPQ-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[N@@H+](CCOc1cccc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847042 1036888034 /nfs/dbraw/zinc/88/80/34/1036888034.db2.gz TXFSLLLXPDGWPQ-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1cccc(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464847042 1036888055 /nfs/dbraw/zinc/88/80/55/1036888055.db2.gz TXFSLLLXPDGWPQ-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1cccc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464847042 1036888077 /nfs/dbraw/zinc/88/80/77/1036888077.db2.gz TXFSLLLXPDGWPQ-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206334 1036892387 /nfs/dbraw/zinc/89/23/87/1036892387.db2.gz QIOKAFVJVICJPW-CMTQZCSUSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206334 1036892403 /nfs/dbraw/zinc/89/24/03/1036892403.db2.gz QIOKAFVJVICJPW-CMTQZCSUSA-N 2 1 330.516 3.833 20 0 EHADMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCCC1 ZINC000310902675 1036923525 /nfs/dbraw/zinc/92/35/25/1036923525.db2.gz BEJYEEZMZSQWSS-PWRODBHTSA-N 2 1 342.527 3.572 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C(C)(C)O1 ZINC000311042353 1036947540 /nfs/dbraw/zinc/94/75/40/1036947540.db2.gz FFSBSCVOFYGFHT-WCIQWLHISA-N 2 1 342.527 3.833 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000178320182 1037025319 /nfs/dbraw/zinc/02/53/19/1037025319.db2.gz WHDVAPARHPNWBS-SBHAEUEKSA-N 2 1 332.532 3.907 20 0 EHADMP CS[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](SC)C3)cc2)C1 ZINC000590750130 1037025895 /nfs/dbraw/zinc/02/58/95/1037025895.db2.gz WDFZPAYVOKSDEG-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CS[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](SC)C3)cc2)C1 ZINC000590750130 1037025916 /nfs/dbraw/zinc/02/59/16/1037025916.db2.gz WDFZPAYVOKSDEG-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CS[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](SC)C3)cc2)C1 ZINC000590750130 1037025935 /nfs/dbraw/zinc/02/59/35/1037025935.db2.gz WDFZPAYVOKSDEG-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CS[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](SC)C3)cc2)C1 ZINC000590750132 1037026640 /nfs/dbraw/zinc/02/66/40/1037026640.db2.gz WDFZPAYVOKSDEG-ROUUACIJSA-N 2 1 336.570 3.561 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542903 1037066225 /nfs/dbraw/zinc/06/62/25/1037066225.db2.gz DNDOONKMRKRUKG-IRXDYDNUSA-N 2 1 327.447 3.586 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000542277018 1037232771 /nfs/dbraw/zinc/23/27/71/1037232771.db2.gz HROHKFCCWHQPJN-UHFFFAOYSA-N 2 1 326.525 3.551 20 0 EHADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000462680552 1037274477 /nfs/dbraw/zinc/27/44/77/1037274477.db2.gz JQHFQUDSVRIMPL-UHFFFAOYSA-N 2 1 344.886 3.887 20 0 EHADMP COc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000462680552 1037274497 /nfs/dbraw/zinc/27/44/97/1037274497.db2.gz JQHFQUDSVRIMPL-UHFFFAOYSA-N 2 1 344.886 3.887 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000539849313 1037276112 /nfs/dbraw/zinc/27/61/12/1037276112.db2.gz FYOOSBADEOPNRI-IBGZPJMESA-N 2 1 328.500 3.783 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000539849313 1037276128 /nfs/dbraw/zinc/27/61/28/1037276128.db2.gz FYOOSBADEOPNRI-IBGZPJMESA-N 2 1 328.500 3.783 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCCc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310885145 1037322519 /nfs/dbraw/zinc/32/25/19/1037322519.db2.gz JBOZRXBSFOBNHV-IFMALSPDSA-N 2 1 335.495 3.961 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCCc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310885145 1037322535 /nfs/dbraw/zinc/32/25/35/1037322535.db2.gz JBOZRXBSFOBNHV-IFMALSPDSA-N 2 1 335.495 3.961 20 0 EHADMP CC(C)[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)[NH+]1CCN(C)CC1 ZINC000301111423 1037356088 /nfs/dbraw/zinc/35/60/88/1037356088.db2.gz WTNZGZLTSGDALX-IBGZPJMESA-N 2 1 346.906 3.572 20 0 EHADMP CO[C@@](C)(C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000462821459 1037443913 /nfs/dbraw/zinc/44/39/13/1037443913.db2.gz QTQKVKDFMUQCCP-CBNMVNINSA-N 2 1 330.516 3.834 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000532510031 1037535087 /nfs/dbraw/zinc/53/50/87/1037535087.db2.gz JLURSVOHZHKJIO-AYBZRNKSSA-N 2 1 334.479 3.792 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000493741025 1037589380 /nfs/dbraw/zinc/58/93/80/1037589380.db2.gz WDYLVCDMIVQCJC-QGZVFWFLSA-N 2 1 349.316 3.961 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000493887502 1037700048 /nfs/dbraw/zinc/70/00/48/1037700048.db2.gz FHBDVDIKARVJGU-IXDOHACOSA-N 2 1 349.316 3.961 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929799 1037727956 /nfs/dbraw/zinc/72/79/56/1037727956.db2.gz ZTEQVOAYWZPPSH-CWJKEVGVSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1noc(C)c1C[NH+](C)CCCCC[N@H+](C)Cc1c(C)noc1C ZINC000157560481 1037731076 /nfs/dbraw/zinc/73/10/76/1037731076.db2.gz SPBKPXGTJMGORB-UHFFFAOYSA-N 2 1 348.491 3.630 20 0 EHADMP CCc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000540299972 1037779911 /nfs/dbraw/zinc/77/99/11/1037779911.db2.gz FPHJZHHHSUSJLC-NHCUHLMSSA-N 2 1 332.532 3.773 20 0 EHADMP CCC[N@H+](CCCCCOC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000116879662 1037846309 /nfs/dbraw/zinc/84/63/09/1037846309.db2.gz ZZIQUOYRDPRXEP-UHFFFAOYSA-N 2 1 348.535 3.591 20 0 EHADMP CCC[N@@H+](CCCCCOC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000116879662 1037846335 /nfs/dbraw/zinc/84/63/35/1037846335.db2.gz ZZIQUOYRDPRXEP-UHFFFAOYSA-N 2 1 348.535 3.591 20 0 EHADMP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000494144686 1037865059 /nfs/dbraw/zinc/86/50/59/1037865059.db2.gz ITPBUNLTJUMAJB-UHFFFAOYSA-N 2 1 330.472 3.674 20 0 EHADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(Cl)c1 ZINC000173319508 1038026806 /nfs/dbraw/zinc/02/68/06/1038026806.db2.gz OPJCNCREDLDNDI-LJQANCHMSA-N 2 1 337.939 3.798 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000173325149 1038030941 /nfs/dbraw/zinc/03/09/41/1038030941.db2.gz BYHMTHWKXXONMU-SJORKVTESA-N 2 1 334.504 3.867 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000124664851 1038219144 /nfs/dbraw/zinc/21/91/44/1038219144.db2.gz NLSXHKWXTMJKSH-UXHICEINSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)cn1 ZINC000181540597 1038438403 /nfs/dbraw/zinc/43/84/03/1038438403.db2.gz XMISCGNLPTWLJZ-QZTJIDSGSA-N 2 1 342.487 3.505 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCC3CCC3)CC2)CC1 ZINC000659993921 1038644331 /nfs/dbraw/zinc/64/43/31/1038644331.db2.gz RIJBIGOINBZDBQ-UHFFFAOYSA-N 3 1 335.580 3.695 20 0 EHADMP C[N@H+](CCCC1CCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659993921 1038644339 /nfs/dbraw/zinc/64/43/39/1038644339.db2.gz RIJBIGOINBZDBQ-UHFFFAOYSA-N 3 1 335.580 3.695 20 0 EHADMP C[N@@H+](CCCC1CCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659993921 1038644344 /nfs/dbraw/zinc/64/43/44/1038644344.db2.gz RIJBIGOINBZDBQ-UHFFFAOYSA-N 3 1 335.580 3.695 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000539063419 1038662579 /nfs/dbraw/zinc/66/25/79/1038662579.db2.gz DVVZPKVQZMEIQD-GHTZIAJQSA-N 2 1 344.543 3.518 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000539086710 1038667298 /nfs/dbraw/zinc/66/72/98/1038667298.db2.gz PHXTZGOGWLXGSM-MGPUTAFESA-N 2 1 327.472 3.773 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090792 1038678301 /nfs/dbraw/zinc/67/83/01/1038678301.db2.gz NLDCUCHEGLICLH-UTKZUKDTSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090792 1038678304 /nfs/dbraw/zinc/67/83/04/1038678304.db2.gz NLDCUCHEGLICLH-UTKZUKDTSA-N 2 1 342.458 3.705 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073551 1038858608 /nfs/dbraw/zinc/85/86/08/1038858608.db2.gz MTKJZOKXGFDABB-IFMALSPDSA-N 2 1 338.495 3.528 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073551 1038858637 /nfs/dbraw/zinc/85/86/37/1038858637.db2.gz MTKJZOKXGFDABB-IFMALSPDSA-N 2 1 338.495 3.528 20 0 EHADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000643521820 1038882125 /nfs/dbraw/zinc/88/21/25/1038882125.db2.gz CNTNPIRQGVGVQQ-XJKSGUPXSA-N 2 1 341.268 3.771 20 0 EHADMP COc1ncccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000488198130 1038958324 /nfs/dbraw/zinc/95/83/24/1038958324.db2.gz HLZGDXPTPDJJDM-QGZVFWFLSA-N 2 1 331.504 3.567 20 0 EHADMP COC1CCC([N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093415200 1039067444 /nfs/dbraw/zinc/06/74/44/1039067444.db2.gz PNIFDKUBASWFPK-UHFFFAOYSA-N 2 1 346.515 3.551 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)cc1F ZINC000488432724 1039176149 /nfs/dbraw/zinc/17/61/49/1039176149.db2.gz HHEVJHPJFIALLW-MAUKXSAKSA-N 2 1 333.476 3.940 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CC1(F)F ZINC000898520008 1039192132 /nfs/dbraw/zinc/19/21/32/1039192132.db2.gz SFKTUTBTRDTZAY-YYTXDEJISA-N 2 1 334.454 3.920 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@H]3CCCC[NH2+]3)nc2)c1 ZINC000906159070 1039330264 /nfs/dbraw/zinc/33/02/64/1039330264.db2.gz QKKHQASKQWWPOU-OXQOHEQNSA-N 2 1 336.483 3.943 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000237518962 1039379132 /nfs/dbraw/zinc/37/91/32/1039379132.db2.gz IYWAKUYJCMJYEZ-KRWDZBQOSA-N 2 1 331.504 3.909 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000237597531 1039394419 /nfs/dbraw/zinc/39/44/19/1039394419.db2.gz VPAMMSLFTALKLX-CYBMUJFWSA-N 2 1 344.459 3.880 20 0 EHADMP CCCCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000062427137 1039531547 /nfs/dbraw/zinc/53/15/47/1039531547.db2.gz XVHHKSJTJQIBCS-SFHVURJKSA-N 2 1 334.504 3.694 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000667681260 1039599415 /nfs/dbraw/zinc/59/94/15/1039599415.db2.gz DWOJQWUVJXENJF-QGZVFWFLSA-N 2 1 329.513 3.892 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000667681260 1039599429 /nfs/dbraw/zinc/59/94/29/1039599429.db2.gz DWOJQWUVJXENJF-QGZVFWFLSA-N 2 1 329.513 3.892 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000667681260 1039599443 /nfs/dbraw/zinc/59/94/43/1039599443.db2.gz DWOJQWUVJXENJF-QGZVFWFLSA-N 2 1 329.513 3.892 20 0 EHADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000584714783 1039603562 /nfs/dbraw/zinc/60/35/62/1039603562.db2.gz HIOIKRGTGICUDK-KBPBESRZSA-N 2 1 327.453 3.773 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000245969778 1039675871 /nfs/dbraw/zinc/67/58/71/1039675871.db2.gz NUPWLVAKTCBWID-CVEARBPZSA-N 2 1 326.488 3.801 20 0 EHADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000480608279 1039749155 /nfs/dbraw/zinc/74/91/55/1039749155.db2.gz CMMKUPZDCLDHAO-IRXDYDNUSA-N 2 1 334.504 3.867 20 0 EHADMP CCc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000667707390 1039754277 /nfs/dbraw/zinc/75/42/77/1039754277.db2.gz YPKCWMBJGXPDGI-YZGWKJHDSA-N 2 1 342.483 3.679 20 0 EHADMP CCc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000667707390 1039754294 /nfs/dbraw/zinc/75/42/94/1039754294.db2.gz YPKCWMBJGXPDGI-YZGWKJHDSA-N 2 1 342.483 3.679 20 0 EHADMP Fc1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1OC1CC1 ZINC000667708712 1039769562 /nfs/dbraw/zinc/76/95/62/1039769562.db2.gz KEUVEHGIKGMEFK-KXBFYZLASA-N 2 1 344.474 3.816 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000549749223 1039792628 /nfs/dbraw/zinc/79/26/28/1039792628.db2.gz NVQNXVFXUKPHRI-VQIMIIECSA-N 2 1 338.923 3.875 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000645813210 1039919413 /nfs/dbraw/zinc/91/94/13/1039919413.db2.gz ZKYPHJSDSABNFC-HMXCVIKNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000645813210 1039919435 /nfs/dbraw/zinc/91/94/35/1039919435.db2.gz ZKYPHJSDSABNFC-HMXCVIKNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCC[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000645813210 1039919458 /nfs/dbraw/zinc/91/94/58/1039919458.db2.gz ZKYPHJSDSABNFC-HMXCVIKNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[C@@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000645813210 1039919473 /nfs/dbraw/zinc/91/94/73/1039919473.db2.gz ZKYPHJSDSABNFC-HMXCVIKNSA-N 2 1 330.516 3.788 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489555820 1040070727 /nfs/dbraw/zinc/07/07/27/1040070727.db2.gz IYEJNMJKTMWKFY-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000555099227 1040156435 /nfs/dbraw/zinc/15/64/35/1040156435.db2.gz KXKTUDZFMGTNEF-ZTMPEJBFSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000555099227 1040156450 /nfs/dbraw/zinc/15/64/50/1040156450.db2.gz KXKTUDZFMGTNEF-ZTMPEJBFSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000555099227 1040156455 /nfs/dbraw/zinc/15/64/55/1040156455.db2.gz KXKTUDZFMGTNEF-ZTMPEJBFSA-N 2 1 338.442 3.963 20 0 EHADMP C[C@H]1C[C@H](CCNC(=[NH2+])N2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512584754 1040202683 /nfs/dbraw/zinc/20/26/83/1040202683.db2.gz YOUPJLKPTAWQOI-ICSRJNTNSA-N 2 1 342.531 3.543 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000481031344 1040292236 /nfs/dbraw/zinc/29/22/36/1040292236.db2.gz ARKGZENBVNVDGD-WMLDXEAASA-N 2 1 348.487 3.662 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000667518287 1040371698 /nfs/dbraw/zinc/37/16/98/1040371698.db2.gz WKJJDWLHBCTNGI-QGZVFWFLSA-N 2 1 329.513 3.892 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000667518287 1040371710 /nfs/dbraw/zinc/37/17/10/1040371710.db2.gz WKJJDWLHBCTNGI-QGZVFWFLSA-N 2 1 329.513 3.892 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000667518287 1040371727 /nfs/dbraw/zinc/37/17/27/1040371727.db2.gz WKJJDWLHBCTNGI-QGZVFWFLSA-N 2 1 329.513 3.892 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087706 1040466758 /nfs/dbraw/zinc/46/67/58/1040466758.db2.gz CTBIMZUWJOZDRT-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087706 1040466773 /nfs/dbraw/zinc/46/67/73/1040466773.db2.gz CTBIMZUWJOZDRT-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087706 1040466782 /nfs/dbraw/zinc/46/67/82/1040466782.db2.gz CTBIMZUWJOZDRT-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087706 1040466792 /nfs/dbraw/zinc/46/67/92/1040466792.db2.gz CTBIMZUWJOZDRT-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3cc(-c4ccccc4Cl)on3)CC[C@@H]21 ZINC000419226755 1040529767 /nfs/dbraw/zinc/52/97/67/1040529767.db2.gz DUORXZDCOVMOLI-KSSFIOAISA-N 2 1 345.874 3.911 20 0 EHADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000433051818 1040566952 /nfs/dbraw/zinc/56/69/52/1040566952.db2.gz IZOKHISGHBIKLJ-PXNSSMCTSA-N 2 1 329.532 3.837 20 0 EHADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411384455 1040807379 /nfs/dbraw/zinc/80/73/79/1040807379.db2.gz HVVFKVNCCDVTGO-HXUWFJFHSA-N 2 1 338.499 3.775 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001167753365 1040854434 /nfs/dbraw/zinc/85/44/34/1040854434.db2.gz OAEYDWZBABNSCL-GOSISDBHSA-N 2 1 345.531 3.632 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CC3(C)C)CC2)cs1 ZINC000487301814 1040903300 /nfs/dbraw/zinc/90/33/00/1040903300.db2.gz SLFPFCYKBXLZTL-PBHICJAKSA-N 2 1 335.561 3.942 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C/C=C/c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487554351 1040940925 /nfs/dbraw/zinc/94/09/25/1040940925.db2.gz SJEBRHYDPXRHKI-AHKCGJDQSA-N 2 1 335.495 3.985 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419300615 1041168788 /nfs/dbraw/zinc/16/87/88/1041168788.db2.gz MHHBARLCXWKWDK-SFHVURJKSA-N 2 1 333.426 3.957 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419300615 1041168794 /nfs/dbraw/zinc/16/87/94/1041168794.db2.gz MHHBARLCXWKWDK-SFHVURJKSA-N 2 1 333.426 3.957 20 0 EHADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924829612 1041239100 /nfs/dbraw/zinc/23/91/00/1041239100.db2.gz RSWJMIVMGZPHCO-GOSISDBHSA-N 2 1 327.472 3.990 20 0 EHADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924829612 1041239111 /nfs/dbraw/zinc/23/91/11/1041239111.db2.gz RSWJMIVMGZPHCO-GOSISDBHSA-N 2 1 327.472 3.990 20 0 EHADMP COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571410731 1041287720 /nfs/dbraw/zinc/28/77/20/1041287720.db2.gz KWYVKEBQEUQBNY-UHFFFAOYSA-N 2 1 330.859 3.626 20 0 EHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000555900383 1041306269 /nfs/dbraw/zinc/30/62/69/1041306269.db2.gz UJAGDZIIRPEIOR-UHFFFAOYSA-N 2 1 349.494 3.707 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176954 1041313898 /nfs/dbraw/zinc/31/38/98/1041313898.db2.gz AIJKWSHULADKJQ-RXVVDRJESA-N 3 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000164176954 1041313903 /nfs/dbraw/zinc/31/39/03/1041313903.db2.gz AIJKWSHULADKJQ-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000164176954 1041313914 /nfs/dbraw/zinc/31/39/14/1041313914.db2.gz AIJKWSHULADKJQ-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176954 1041313921 /nfs/dbraw/zinc/31/39/21/1041313921.db2.gz AIJKWSHULADKJQ-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655658 1041757447 /nfs/dbraw/zinc/75/74/47/1041757447.db2.gz PEQVLTHXFJSFTH-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655658 1041757454 /nfs/dbraw/zinc/75/74/54/1041757454.db2.gz PEQVLTHXFJSFTH-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655658 1041757459 /nfs/dbraw/zinc/75/74/59/1041757459.db2.gz PEQVLTHXFJSFTH-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655658 1041757464 /nfs/dbraw/zinc/75/74/64/1041757464.db2.gz PEQVLTHXFJSFTH-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CCCOc3ccccc3)CC2)cc1 ZINC000236710054 1041810248 /nfs/dbraw/zinc/81/02/48/1041810248.db2.gz JDKOOGPUHDUBGW-UHFFFAOYSA-N 2 1 338.495 3.752 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652150912 1042241706 /nfs/dbraw/zinc/24/17/06/1042241706.db2.gz CCZHORZUCXVIPS-NHCUHLMSSA-N 2 1 345.531 3.530 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662051035 1042486096 /nfs/dbraw/zinc/48/60/96/1042486096.db2.gz YCEUQIFNLKCYNU-IBGZPJMESA-N 2 1 328.500 3.721 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000248563460 1042526565 /nfs/dbraw/zinc/52/65/65/1042526565.db2.gz KAMXEVIALVBOND-BAGYTPMASA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000248563460 1042526569 /nfs/dbraw/zinc/52/65/69/1042526569.db2.gz KAMXEVIALVBOND-BAGYTPMASA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000248563460 1042526571 /nfs/dbraw/zinc/52/65/71/1042526571.db2.gz KAMXEVIALVBOND-BAGYTPMASA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250631 1042635045 /nfs/dbraw/zinc/63/50/45/1042635045.db2.gz KHTPYVIUTLWATK-AAEUAGOBSA-N 2 1 329.271 3.507 20 0 EHADMP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253402 1042636781 /nfs/dbraw/zinc/63/67/81/1042636781.db2.gz USYVSUJFBLDMJX-FUHWJXTLSA-N 2 1 342.508 3.832 20 0 EHADMP COc1cc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)ccc1SC ZINC000662254411 1042638594 /nfs/dbraw/zinc/63/85/94/1042638594.db2.gz QLURZNMJAVGKIH-UHFFFAOYSA-N 2 1 342.508 3.695 20 0 EHADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cs2)o1 ZINC000662292594 1042663404 /nfs/dbraw/zinc/66/34/04/1042663404.db2.gz OPQUSPALLHCHIS-INIZCTEOSA-N 2 1 345.512 3.923 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)o1 ZINC000662293122 1042663603 /nfs/dbraw/zinc/66/36/03/1042663603.db2.gz JZGJDQVLKSHHLE-MRXNPFEDSA-N 2 1 345.512 3.923 20 0 EHADMP Fc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662297200 1042666401 /nfs/dbraw/zinc/66/64/01/1042666401.db2.gz OIAFNKICPNAZIK-QGZVFWFLSA-N 2 1 343.446 3.692 20 0 EHADMP c1csc(-c2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)no2)c1 ZINC000662296839 1042666716 /nfs/dbraw/zinc/66/67/16/1042666716.db2.gz NWZANDJFULDDMI-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309843 1042678431 /nfs/dbraw/zinc/67/84/31/1042678431.db2.gz ODTXYICLNZNEEL-OYRHEFFESA-N 2 1 337.467 3.573 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])co2)cc1 ZINC000662314556 1042680924 /nfs/dbraw/zinc/68/09/24/1042680924.db2.gz NPVBGCPNTFJCAJ-VQIMIIECSA-N 2 1 327.472 3.989 20 0 EHADMP Fc1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1OC1CC1 ZINC000663344207 1042726397 /nfs/dbraw/zinc/72/63/97/1042726397.db2.gz PENHSPAUBMFVDL-INIZCTEOSA-N 2 1 332.463 3.579 20 0 EHADMP Fc1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cccc1OC1CC1 ZINC000663344207 1042726403 /nfs/dbraw/zinc/72/64/03/1042726403.db2.gz PENHSPAUBMFVDL-INIZCTEOSA-N 2 1 332.463 3.579 20 0 EHADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)s2)c1 ZINC000663344810 1042729668 /nfs/dbraw/zinc/72/96/68/1042729668.db2.gz XZIMZXAUURLCBB-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)s2)c1 ZINC000663344810 1042729672 /nfs/dbraw/zinc/72/96/72/1042729672.db2.gz XZIMZXAUURLCBB-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000663347166 1042732658 /nfs/dbraw/zinc/73/26/58/1042732658.db2.gz ZYPMEQWVQDHWHU-CBQOVEMMSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347166 1042732662 /nfs/dbraw/zinc/73/26/62/1042732662.db2.gz ZYPMEQWVQDHWHU-CBQOVEMMSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347166 1042732669 /nfs/dbraw/zinc/73/26/69/1042732669.db2.gz ZYPMEQWVQDHWHU-CBQOVEMMSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347166 1042732672 /nfs/dbraw/zinc/73/26/72/1042732672.db2.gz ZYPMEQWVQDHWHU-CBQOVEMMSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347166 1042732679 /nfs/dbraw/zinc/73/26/79/1042732679.db2.gz ZYPMEQWVQDHWHU-CBQOVEMMSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)cs1 ZINC000278874895 1042801117 /nfs/dbraw/zinc/80/11/17/1042801117.db2.gz CBLZZHMADGKXJH-GHMZBOCLSA-N 2 1 340.290 3.620 20 0 EHADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464071 1042886496 /nfs/dbraw/zinc/88/64/96/1042886496.db2.gz BWBJZVSOLZSVNM-MJGOQNOKSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464071 1042886503 /nfs/dbraw/zinc/88/65/03/1042886503.db2.gz BWBJZVSOLZSVNM-MJGOQNOKSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464071 1042886507 /nfs/dbraw/zinc/88/65/07/1042886507.db2.gz BWBJZVSOLZSVNM-MJGOQNOKSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000663467527 1042895092 /nfs/dbraw/zinc/89/50/92/1042895092.db2.gz GNOCBVZCKBJLMM-HKUYNNGSSA-N 2 1 338.499 3.645 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001167826918 1042962709 /nfs/dbraw/zinc/96/27/09/1042962709.db2.gz RXOKEDJGZHPOGG-FQEVSTJZSA-N 2 1 331.548 3.705 20 0 EHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1Cl ZINC000343984010 1043056231 /nfs/dbraw/zinc/05/62/31/1043056231.db2.gz LTIMFRSYYRZVMU-CQSZACIVSA-N 2 1 333.863 3.526 20 0 EHADMP CC(C)COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408887 1043107254 /nfs/dbraw/zinc/10/72/54/1043107254.db2.gz WIUODYYPZYWZIM-MOPGFXCFSA-N 2 1 348.531 3.873 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CCC2)cc1 ZINC000432412621 1043115488 /nfs/dbraw/zinc/11/54/88/1043115488.db2.gz CIRMTSKCPINFAH-GHTZIAJQSA-N 2 1 330.516 3.927 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278977344 1043117598 /nfs/dbraw/zinc/11/75/98/1043117598.db2.gz OHMVVMULUHATPI-OCCSQVGLSA-N 2 1 332.517 3.859 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2C1 ZINC000166935066 1043118447 /nfs/dbraw/zinc/11/84/47/1043118447.db2.gz IKQLQUWSDSGHSH-UHFFFAOYSA-N 2 1 337.467 3.759 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)[C@H](C)c1nc2ccccc2s1 ZINC000279004237 1043180664 /nfs/dbraw/zinc/18/06/64/1043180664.db2.gz RWOPLCNISDZCHX-SOUVJXGZSA-N 2 1 340.496 3.837 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000279014180 1043200057 /nfs/dbraw/zinc/20/00/57/1043200057.db2.gz UBBOUFKIJWPPRW-CJNGLKHVSA-N 2 1 335.398 3.788 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279021652 1043205080 /nfs/dbraw/zinc/20/50/80/1043205080.db2.gz UXEIBRRBJBFFGH-DZGCQCFKSA-N 2 1 335.398 3.788 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc12 ZINC000279027721 1043218679 /nfs/dbraw/zinc/21/86/79/1043218679.db2.gz VSQVWLRZVCIMCK-JKSUJKDBSA-N 2 1 335.451 3.958 20 0 EHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000344194888 1043407418 /nfs/dbraw/zinc/40/74/18/1043407418.db2.gz CCAUZZMXLAPWBL-MJGOQNOKSA-N 2 1 343.515 3.587 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344683936 1044286496 /nfs/dbraw/zinc/28/64/96/1044286496.db2.gz PCTSPULXTWSWSN-RISCZKNCSA-N 2 1 343.334 3.743 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344683936 1044286509 /nfs/dbraw/zinc/28/65/09/1044286509.db2.gz PCTSPULXTWSWSN-RISCZKNCSA-N 2 1 343.334 3.743 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000153620374 1125638724 /nfs/dbraw/zinc/63/87/24/1125638724.db2.gz VRNCXALXNVQTQX-UHFFFAOYSA-N 2 1 343.559 3.504 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000185323079 1126867174 /nfs/dbraw/zinc/86/71/74/1126867174.db2.gz DHIPSQZQGRCSRR-ZDUSSCGKSA-N 2 1 325.840 3.602 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623346035 1126923726 /nfs/dbraw/zinc/92/37/26/1126923726.db2.gz BMMMRJZLNJNKMF-NRFANRHFSA-N 2 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623346035 1126923728 /nfs/dbraw/zinc/92/37/28/1126923728.db2.gz BMMMRJZLNJNKMF-NRFANRHFSA-N 3 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623346035 1126923731 /nfs/dbraw/zinc/92/37/31/1126923731.db2.gz BMMMRJZLNJNKMF-NRFANRHFSA-N 3 1 343.559 3.881 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356559 1126929175 /nfs/dbraw/zinc/92/91/75/1126929175.db2.gz XAUNNABTDZBSBV-OALUTQOASA-N 2 1 349.950 3.939 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccnc(OC3CCCCC3)c2)CC1(C)C ZINC000623387880 1126941556 /nfs/dbraw/zinc/94/15/56/1126941556.db2.gz ZURSGAPDKJNHMN-KRWDZBQOSA-N 2 1 331.504 3.756 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC1(C)C ZINC000623387880 1126941561 /nfs/dbraw/zinc/94/15/61/1126941561.db2.gz ZURSGAPDKJNHMN-KRWDZBQOSA-N 2 1 331.504 3.756 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n(-c2ccccc2)n1 ZINC000623469019 1126962098 /nfs/dbraw/zinc/96/20/98/1126962098.db2.gz NEMWSTQUROTZEJ-WMZOPIPTSA-N 2 1 340.515 3.574 20 0 EHADMP FC(F)(F)c1sccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000623575219 1126989575 /nfs/dbraw/zinc/98/95/75/1126989575.db2.gz PYYZJFOKCKAPLV-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1sccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000623575219 1126989578 /nfs/dbraw/zinc/98/95/78/1126989578.db2.gz PYYZJFOKCKAPLV-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707118 1126990442 /nfs/dbraw/zinc/99/04/42/1126990442.db2.gz HELASYOJDSSJNO-GMBSWORKSA-N 2 1 336.907 3.616 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000178029450 1127004942 /nfs/dbraw/zinc/00/49/42/1127004942.db2.gz MLWUSBYEQUTNKL-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000178029450 1127004947 /nfs/dbraw/zinc/00/49/47/1127004947.db2.gz MLWUSBYEQUTNKL-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000623890305 1127211279 /nfs/dbraw/zinc/21/12/79/1127211279.db2.gz IPGPQGVQPKJEHO-NEPJUHHUSA-N 2 1 349.828 3.616 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623963930 1127223135 /nfs/dbraw/zinc/22/31/35/1127223135.db2.gz UTAYNZBGJGMYTN-KRWDZBQOSA-N 2 1 328.847 3.765 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC ZINC000624019101 1127234728 /nfs/dbraw/zinc/23/47/28/1127234728.db2.gz HMDSTUPYWFWSJF-INIZCTEOSA-N 2 1 346.515 3.979 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121292 1127256345 /nfs/dbraw/zinc/25/63/45/1127256345.db2.gz SIUGMNPPAMOSMB-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121292 1127256347 /nfs/dbraw/zinc/25/63/47/1127256347.db2.gz SIUGMNPPAMOSMB-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(Br)c1 ZINC000181728345 1127292016 /nfs/dbraw/zinc/29/20/16/1127292016.db2.gz TZKTWMQJSVUSKM-BLLLJJGKSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@@H]1CC[NH3+] ZINC000404435364 1127433842 /nfs/dbraw/zinc/43/38/42/1127433842.db2.gz QXRRMBOJWKFKOF-CZUORRHYSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@@H]1CC[NH3+] ZINC000404435364 1127433845 /nfs/dbraw/zinc/43/38/45/1127433845.db2.gz QXRRMBOJWKFKOF-CZUORRHYSA-N 2 1 333.863 3.944 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000386032383 1127621130 /nfs/dbraw/zinc/62/11/30/1127621130.db2.gz YMRZZSIMSWWVAB-SFTDATJTSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000386032383 1127621133 /nfs/dbraw/zinc/62/11/33/1127621133.db2.gz YMRZZSIMSWWVAB-SFTDATJTSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000386032383 1127621134 /nfs/dbraw/zinc/62/11/34/1127621134.db2.gz YMRZZSIMSWWVAB-SFTDATJTSA-N 2 1 336.479 3.519 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCCC2 ZINC000386003050 1127618558 /nfs/dbraw/zinc/61/85/58/1127618558.db2.gz UCWMNOPVSVDXRF-PCCBWWKXSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4Cc5ccccc54)C[C@@H]3C2)cc1 ZINC000386341542 1127665389 /nfs/dbraw/zinc/66/53/89/1127665389.db2.gz LSCYRADUGUXTOG-VSKRKVRLSA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4Cc5ccccc54)C[C@@H]3C2)cc1 ZINC000386341542 1127665390 /nfs/dbraw/zinc/66/53/90/1127665390.db2.gz LSCYRADUGUXTOG-VSKRKVRLSA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4Cc5ccccc54)C[C@@H]3C2)cc1 ZINC000386341542 1127665391 /nfs/dbraw/zinc/66/53/91/1127665391.db2.gz LSCYRADUGUXTOG-VSKRKVRLSA-N 2 1 332.491 3.780 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000056522081 1128021795 /nfs/dbraw/zinc/02/17/95/1128021795.db2.gz QENPXGCENQOTCO-UHFFFAOYSA-N 2 1 331.323 3.674 20 0 EHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000671758291 1128236654 /nfs/dbraw/zinc/23/66/54/1128236654.db2.gz QTPSINPKFAUWDL-WYNBGMTASA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc1 ZINC001168596308 1128238942 /nfs/dbraw/zinc/23/89/42/1128238942.db2.gz JBYUSGPBWMQFJC-NEWSRXKRSA-N 2 1 330.520 3.741 20 0 EHADMP COc1ccc([C@H](CCC(C)C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765793552 1128370101 /nfs/dbraw/zinc/37/01/01/1128370101.db2.gz ZZWQACXQCPQSML-JBACZVJFSA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765793552 1128370106 /nfs/dbraw/zinc/37/01/06/1128370106.db2.gz ZZWQACXQCPQSML-JBACZVJFSA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765793552 1128370113 /nfs/dbraw/zinc/37/01/13/1128370113.db2.gz ZZWQACXQCPQSML-JBACZVJFSA-N 2 1 346.515 3.625 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000166505219 1128440372 /nfs/dbraw/zinc/44/03/72/1128440372.db2.gz SVGJSYPKPWOBKI-FGZHOGPDSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000166505219 1128440373 /nfs/dbraw/zinc/44/03/73/1128440373.db2.gz SVGJSYPKPWOBKI-FGZHOGPDSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000166505219 1128440376 /nfs/dbraw/zinc/44/03/76/1128440376.db2.gz SVGJSYPKPWOBKI-FGZHOGPDSA-N 2 1 341.543 3.635 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168620143 1128471751 /nfs/dbraw/zinc/47/17/51/1128471751.db2.gz ZZWMSHPBMPQXHZ-IWFBPKFRSA-N 2 1 346.515 3.896 20 0 EHADMP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000108428862 1128635092 /nfs/dbraw/zinc/63/50/92/1128635092.db2.gz XRDKXVAADJTYLC-GOSISDBHSA-N 2 1 334.504 3.696 20 0 EHADMP CCOCc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000073649926 1120088577 /nfs/dbraw/zinc/08/85/77/1120088577.db2.gz QFLVATDOMIQABC-UHFFFAOYSA-N 2 1 338.495 3.977 20 0 EHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001279331242 1120249736 /nfs/dbraw/zinc/24/97/36/1120249736.db2.gz DMVNTXOBTQEEPA-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001279331242 1120249740 /nfs/dbraw/zinc/24/97/40/1120249740.db2.gz DMVNTXOBTQEEPA-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001279331242 1120249743 /nfs/dbraw/zinc/24/97/43/1120249743.db2.gz DMVNTXOBTQEEPA-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001279331242 1120249747 /nfs/dbraw/zinc/24/97/47/1120249747.db2.gz DMVNTXOBTQEEPA-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC001648960679 1120281374 /nfs/dbraw/zinc/28/13/74/1120281374.db2.gz SRWUPGXUBLKNCK-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP COc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c(OC)c1 ZINC000195632292 1120800710 /nfs/dbraw/zinc/80/07/10/1120800710.db2.gz SEEFRXPYYONZGA-IBGZPJMESA-N 2 1 332.488 3.717 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c(OC)c1 ZINC000195632292 1120800713 /nfs/dbraw/zinc/80/07/13/1120800713.db2.gz SEEFRXPYYONZGA-IBGZPJMESA-N 2 1 332.488 3.717 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494922624 1120906754 /nfs/dbraw/zinc/90/67/54/1120906754.db2.gz JZDQZXFXGMYRIH-ZIFCJYIRSA-N 2 1 347.551 3.774 20 0 EHADMP CCOc1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531039 1120924491 /nfs/dbraw/zinc/92/44/91/1120924491.db2.gz IRIPRYUBHGOABO-QZTJIDSGSA-N 2 1 346.515 3.707 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C/C=C\c2ccncc2)CC1)CC1CC1 ZINC000495033548 1120934164 /nfs/dbraw/zinc/93/41/64/1120934164.db2.gz YJTQZQSNGJFWIQ-ARJAWSKDSA-N 2 1 327.516 3.929 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000236759692 1121462307 /nfs/dbraw/zinc/46/23/07/1121462307.db2.gz BCIJVOWUFWHXIP-UHFFFAOYSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000397344087 1121710879 /nfs/dbraw/zinc/71/08/79/1121710879.db2.gz XCITZSZAJPQDPE-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000397344087 1121710887 /nfs/dbraw/zinc/71/08/87/1121710887.db2.gz XCITZSZAJPQDPE-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398061490 1121967640 /nfs/dbraw/zinc/96/76/40/1121967640.db2.gz WQSWZLVIEZOMSW-WHCFWRGISA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398061490 1121967645 /nfs/dbraw/zinc/96/76/45/1121967645.db2.gz WQSWZLVIEZOMSW-WHCFWRGISA-N 2 1 341.543 3.550 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123310647 1122011405 /nfs/dbraw/zinc/01/14/05/1122011405.db2.gz RLKQKXHUGCYWBS-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123310647 1122011412 /nfs/dbraw/zinc/01/14/12/1122011412.db2.gz RLKQKXHUGCYWBS-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310647 1122011419 /nfs/dbraw/zinc/01/14/19/1122011419.db2.gz RLKQKXHUGCYWBS-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310647 1122011422 /nfs/dbraw/zinc/01/14/22/1122011422.db2.gz RLKQKXHUGCYWBS-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000037997543 1122247530 /nfs/dbraw/zinc/24/75/30/1122247530.db2.gz CHMZILMYDJPOCA-ZDUSSCGKSA-N 2 1 343.284 3.800 20 0 EHADMP Cc1nccn1CCCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000125544655 1122319888 /nfs/dbraw/zinc/31/98/88/1122319888.db2.gz VTOSYXDTWYDLKY-OAQYLSRUSA-N 2 1 341.499 3.734 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000125544655 1122319897 /nfs/dbraw/zinc/31/98/97/1122319897.db2.gz VTOSYXDTWYDLKY-OAQYLSRUSA-N 2 1 341.499 3.734 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000125544655 1122319904 /nfs/dbraw/zinc/31/99/04/1122319904.db2.gz VTOSYXDTWYDLKY-OAQYLSRUSA-N 2 1 341.499 3.734 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127405436 1122482316 /nfs/dbraw/zinc/48/23/16/1122482316.db2.gz IXNXUKZDEXDXQM-UHFFFAOYSA-N 2 1 343.284 3.941 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063964 1122799549 /nfs/dbraw/zinc/79/95/49/1122799549.db2.gz SGDMIEJKPYPRKZ-RZFNWQHOSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063964 1122799553 /nfs/dbraw/zinc/79/95/53/1122799553.db2.gz SGDMIEJKPYPRKZ-RZFNWQHOSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556061911 1122799830 /nfs/dbraw/zinc/79/98/30/1122799830.db2.gz FBGKKSQFIDEPND-JZWVFAODSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556061911 1122799831 /nfs/dbraw/zinc/79/98/31/1122799831.db2.gz FBGKKSQFIDEPND-JZWVFAODSA-N 2 1 349.522 3.863 20 0 EHADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000556104172 1122815627 /nfs/dbraw/zinc/81/56/27/1122815627.db2.gz MSHXUKADVGVEMG-WOJBJXKFSA-N 2 1 329.532 3.674 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556608873 1123060340 /nfs/dbraw/zinc/06/03/40/1123060340.db2.gz OYSGSRLERVBZNT-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556608873 1123060344 /nfs/dbraw/zinc/06/03/44/1123060344.db2.gz OYSGSRLERVBZNT-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556608873 1123060347 /nfs/dbraw/zinc/06/03/47/1123060347.db2.gz OYSGSRLERVBZNT-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759273 1123154635 /nfs/dbraw/zinc/15/46/35/1123154635.db2.gz CTFSUCRHOJASTI-INIZCTEOSA-N 2 1 349.544 3.543 20 0 EHADMP CSc1ccccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759273 1123154637 /nfs/dbraw/zinc/15/46/37/1123154637.db2.gz CTFSUCRHOJASTI-INIZCTEOSA-N 2 1 349.544 3.543 20 0 EHADMP CSc1ccccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072759273 1123154639 /nfs/dbraw/zinc/15/46/39/1123154639.db2.gz CTFSUCRHOJASTI-INIZCTEOSA-N 2 1 349.544 3.543 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000556872204 1123162033 /nfs/dbraw/zinc/16/20/33/1123162033.db2.gz GYQCLUWMRWMIKK-DJIMGWMZSA-N 2 1 342.405 3.676 20 0 EHADMP CO[C@H]1CCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556887087 1123168375 /nfs/dbraw/zinc/16/83/75/1123168375.db2.gz YLNVZEWPAHTCMV-HAMDTZRPSA-N 2 1 330.516 3.834 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(CC)cc2)[C@@H](C)C1 ZINC000132346756 1123220322 /nfs/dbraw/zinc/22/03/22/1123220322.db2.gz BFSSMMCSTINIIG-RXVVDRJESA-N 2 1 332.532 3.518 20 0 EHADMP CC[N@@H+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)C ZINC000499161340 1123256600 /nfs/dbraw/zinc/25/66/00/1123256600.db2.gz LOCHWBSOTRUNMJ-MZADTFQBSA-N 2 1 329.532 3.502 20 0 EHADMP CC[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000499161340 1123256604 /nfs/dbraw/zinc/25/66/04/1123256604.db2.gz LOCHWBSOTRUNMJ-MZADTFQBSA-N 2 1 329.532 3.502 20 0 EHADMP CC[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000499161340 1123256608 /nfs/dbraw/zinc/25/66/08/1123256608.db2.gz LOCHWBSOTRUNMJ-MZADTFQBSA-N 2 1 329.532 3.502 20 0 EHADMP COc1cccc(CCC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134905886 1123563326 /nfs/dbraw/zinc/56/33/26/1123563326.db2.gz FHVOZMRNKSNQPT-WIYYLYMNSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134905886 1123563327 /nfs/dbraw/zinc/56/33/27/1123563327.db2.gz FHVOZMRNKSNQPT-WIYYLYMNSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134905886 1123563330 /nfs/dbraw/zinc/56/33/30/1123563330.db2.gz FHVOZMRNKSNQPT-WIYYLYMNSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134905886 1123563332 /nfs/dbraw/zinc/56/33/32/1123563332.db2.gz FHVOZMRNKSNQPT-WIYYLYMNSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134905886 1123563334 /nfs/dbraw/zinc/56/33/34/1123563334.db2.gz FHVOZMRNKSNQPT-WIYYLYMNSA-N 2 1 328.500 3.577 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000135092525 1123581169 /nfs/dbraw/zinc/58/11/69/1123581169.db2.gz TWMUDTGIGTXLFF-HXUWFJFHSA-N 2 1 344.499 3.702 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000135092525 1123581173 /nfs/dbraw/zinc/58/11/73/1123581173.db2.gz TWMUDTGIGTXLFF-HXUWFJFHSA-N 2 1 344.499 3.702 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000163459230 1123879425 /nfs/dbraw/zinc/87/94/25/1123879425.db2.gz AHHHRYVKGKJPJO-KRWDZBQOSA-N 2 1 329.488 3.532 20 0 EHADMP CC(C)[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000245648661 1123909502 /nfs/dbraw/zinc/90/95/02/1123909502.db2.gz CDFSSIYODDIZTJ-DKUWSORSSA-N 2 1 343.559 3.890 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741704 1123942533 /nfs/dbraw/zinc/94/25/33/1123942533.db2.gz LZMGXBFWPPNPTA-SWLSCSKDSA-N 2 1 330.394 3.589 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741704 1123942537 /nfs/dbraw/zinc/94/25/37/1123942537.db2.gz LZMGXBFWPPNPTA-SWLSCSKDSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741704 1123942542 /nfs/dbraw/zinc/94/25/42/1123942542.db2.gz LZMGXBFWPPNPTA-SWLSCSKDSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741704 1123942543 /nfs/dbraw/zinc/94/25/43/1123942543.db2.gz LZMGXBFWPPNPTA-SWLSCSKDSA-N 2 1 330.394 3.589 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801706 1123954021 /nfs/dbraw/zinc/95/40/21/1123954021.db2.gz XWLWAPIVNDPJSO-HOCLYGCPSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801706 1123954023 /nfs/dbraw/zinc/95/40/23/1123954023.db2.gz XWLWAPIVNDPJSO-HOCLYGCPSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801706 1123954026 /nfs/dbraw/zinc/95/40/26/1123954026.db2.gz XWLWAPIVNDPJSO-HOCLYGCPSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801706 1123954028 /nfs/dbraw/zinc/95/40/28/1123954028.db2.gz XWLWAPIVNDPJSO-HOCLYGCPSA-N 2 1 326.431 3.819 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C12CCC2 ZINC000453121123 1129155733 /nfs/dbraw/zinc/15/57/33/1129155733.db2.gz LBGBDACEQRLBBH-OWLYRPNTSA-N 2 1 334.529 3.678 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C12CCC2 ZINC000453121123 1129155736 /nfs/dbraw/zinc/15/57/36/1129155736.db2.gz LBGBDACEQRLBBH-OWLYRPNTSA-N 2 1 334.529 3.678 20 0 EHADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000246018527 1124001168 /nfs/dbraw/zinc/00/11/68/1124001168.db2.gz JKBORWIMKAFGGI-DNVCBOLYSA-N 2 1 340.458 3.754 20 0 EHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000246936322 1124567818 /nfs/dbraw/zinc/56/78/18/1124567818.db2.gz HJKSIRVGQTUOPB-NNWRFLSQSA-N 2 1 343.559 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246981897 1124576031 /nfs/dbraw/zinc/57/60/31/1124576031.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246981897 1124576038 /nfs/dbraw/zinc/57/60/38/1124576038.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246981897 1124576049 /nfs/dbraw/zinc/57/60/49/1124576049.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246981897 1124576060 /nfs/dbraw/zinc/57/60/60/1124576060.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246981897 1124576068 /nfs/dbraw/zinc/57/60/68/1124576068.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246981897 1124576077 /nfs/dbraw/zinc/57/60/77/1124576077.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246981897 1124576084 /nfs/dbraw/zinc/57/60/84/1124576084.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246981897 1124576088 /nfs/dbraw/zinc/57/60/88/1124576088.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246981897 1124576095 /nfs/dbraw/zinc/57/60/95/1124576095.db2.gz JSXUJULSBLVCDA-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247142354 1124591238 /nfs/dbraw/zinc/59/12/38/1124591238.db2.gz WHDVAPARHPNWBS-ZJOUEHCJSA-N 2 1 332.532 3.907 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247231077 1124596966 /nfs/dbraw/zinc/59/69/66/1124596966.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247231077 1124596969 /nfs/dbraw/zinc/59/69/69/1124596969.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247231077 1124596972 /nfs/dbraw/zinc/59/69/72/1124596972.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247231077 1124596975 /nfs/dbraw/zinc/59/69/75/1124596975.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247231077 1124596980 /nfs/dbraw/zinc/59/69/80/1124596980.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247231077 1124596990 /nfs/dbraw/zinc/59/69/90/1124596990.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247231077 1124596995 /nfs/dbraw/zinc/59/69/95/1124596995.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C1 ZINC000247231077 1124596998 /nfs/dbraw/zinc/59/69/98/1124596998.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C1 ZINC000247231077 1124597002 /nfs/dbraw/zinc/59/70/02/1124597002.db2.gz YHPXBSVUWGTHMD-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)c1 ZINC000248158636 1124643588 /nfs/dbraw/zinc/64/35/88/1124643588.db2.gz RTHUOUYADKPXRN-SIKLNZKXSA-N 2 1 338.495 3.910 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248742757 1124695788 /nfs/dbraw/zinc/69/57/88/1124695788.db2.gz RGFWSNZJQOBYFC-XJKSGUPXSA-N 2 1 330.925 3.628 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248742757 1124695795 /nfs/dbraw/zinc/69/57/95/1124695795.db2.gz RGFWSNZJQOBYFC-XJKSGUPXSA-N 2 1 330.925 3.628 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000249074769 1124735194 /nfs/dbraw/zinc/73/51/94/1124735194.db2.gz LMKXYNFEKZWVBI-YUELXQCFSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000249074769 1124735210 /nfs/dbraw/zinc/73/52/10/1124735210.db2.gz LMKXYNFEKZWVBI-YUELXQCFSA-N 2 1 342.314 3.644 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000249170378 1124743938 /nfs/dbraw/zinc/74/39/38/1124743938.db2.gz BAFOLVCPHJBEDW-RTWAWAEBSA-N 2 1 342.458 3.633 20 0 EHADMP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000249187853 1124744329 /nfs/dbraw/zinc/74/43/29/1124744329.db2.gz LRSZKPPJSDAVOW-SJORKVTESA-N 2 1 338.417 3.953 20 0 EHADMP CC[C@H](C[NH2+]C1CC[NH+](C)CC1)Oc1ccccc1C(F)(F)F ZINC000090231009 1124903912 /nfs/dbraw/zinc/90/39/12/1124903912.db2.gz ZONGPYQNRVFVDF-CQSZACIVSA-N 2 1 330.394 3.547 20 0 EHADMP Brc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000091284466 1124973396 /nfs/dbraw/zinc/97/33/96/1124973396.db2.gz RSPDYIWBVFLYCJ-UGSOOPFHSA-N 2 1 349.316 3.974 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091306003 1124974866 /nfs/dbraw/zinc/97/48/66/1124974866.db2.gz TZTKBZOIGBQTAW-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638717 1125278939 /nfs/dbraw/zinc/27/89/39/1125278939.db2.gz LZMGXBFWPPNPTA-DOMZBBRYSA-N 2 1 330.394 3.589 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638717 1125278944 /nfs/dbraw/zinc/27/89/44/1125278944.db2.gz LZMGXBFWPPNPTA-DOMZBBRYSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638717 1125278949 /nfs/dbraw/zinc/27/89/49/1125278949.db2.gz LZMGXBFWPPNPTA-DOMZBBRYSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638717 1125278952 /nfs/dbraw/zinc/27/89/52/1125278952.db2.gz LZMGXBFWPPNPTA-DOMZBBRYSA-N 2 1 330.394 3.589 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000261969013 1125393130 /nfs/dbraw/zinc/39/31/30/1125393130.db2.gz YTAXQSUCSLPJSP-RRQGHBQHSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000261969013 1125393131 /nfs/dbraw/zinc/39/31/31/1125393131.db2.gz YTAXQSUCSLPJSP-RRQGHBQHSA-N 2 1 331.847 3.554 20 0 EHADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000765978237 1129383971 /nfs/dbraw/zinc/38/39/71/1129383971.db2.gz TYTOYBFMXYJJDD-RTWAWAEBSA-N 2 1 346.515 3.769 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664117 1129712664 /nfs/dbraw/zinc/71/26/64/1129712664.db2.gz MKFXJUWTCJONLA-VAMGGRTRSA-N 2 1 330.516 3.834 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664117 1129712666 /nfs/dbraw/zinc/71/26/66/1129712666.db2.gz MKFXJUWTCJONLA-VAMGGRTRSA-N 2 1 330.516 3.834 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625084164 1129728013 /nfs/dbraw/zinc/72/80/13/1129728013.db2.gz WNXJLPKLUXBYBC-UHFFFAOYSA-N 2 1 345.462 3.544 20 0 EHADMP FC(F)(F)c1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000673709466 1129806991 /nfs/dbraw/zinc/80/69/91/1129806991.db2.gz UCPPTQQEEKHYPU-UHFFFAOYSA-N 2 1 335.373 3.813 20 0 EHADMP Cc1ccc[nH+]c1N([C@@H]1Cc2cccc(Cl)c2C1)C1CC[NH2+]CC1 ZINC001168743640 1129872324 /nfs/dbraw/zinc/87/23/24/1129872324.db2.gz MIIXZWDJMLMVEE-QGZVFWFLSA-N 2 1 341.886 3.769 20 0 EHADMP c1n[nH]cc1C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000673931507 1129907903 /nfs/dbraw/zinc/90/79/03/1129907903.db2.gz GVIHTEBNPOZNII-UHFFFAOYSA-N 2 1 334.467 3.592 20 0 EHADMP CSC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000347860575 1129939037 /nfs/dbraw/zinc/93/90/37/1129939037.db2.gz HHRLEDBUABEBHM-UHFFFAOYSA-N 2 1 330.541 3.870 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cs1 ZINC000282507429 1129970718 /nfs/dbraw/zinc/97/07/18/1129970718.db2.gz ODMILPIRRWINGT-IBGZPJMESA-N 2 1 343.540 3.884 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cs1 ZINC000282507429 1129970721 /nfs/dbraw/zinc/97/07/21/1129970721.db2.gz ODMILPIRRWINGT-IBGZPJMESA-N 2 1 343.540 3.884 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658122631 1130170756 /nfs/dbraw/zinc/17/07/56/1130170756.db2.gz GSIWTGCYDGDVNV-DKUWSORSSA-N 2 1 335.495 3.718 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658138805 1130191874 /nfs/dbraw/zinc/19/18/74/1130191874.db2.gz OIBJJFRPMFNPJB-NHCUHLMSSA-N 2 1 342.458 3.633 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000675780210 1130471182 /nfs/dbraw/zinc/47/11/82/1130471182.db2.gz NYLASUCXLRIFJR-QGZVFWFLSA-N 2 1 346.478 3.847 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285541507 1130625670 /nfs/dbraw/zinc/62/56/70/1130625670.db2.gz GAGGZZZYVPJBQF-IXDOHACOSA-N 2 1 326.488 3.738 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285541507 1130625674 /nfs/dbraw/zinc/62/56/74/1130625674.db2.gz GAGGZZZYVPJBQF-IXDOHACOSA-N 2 1 326.488 3.738 20 0 EHADMP CC[NH+](CC)Cc1cccc(CNc2nc(N3CCCC3)cc[nH+]2)c1 ZINC000733187590 1131006358 /nfs/dbraw/zinc/00/63/58/1131006358.db2.gz SWMRPZXTWLKESU-UHFFFAOYSA-N 2 1 339.487 3.531 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794418 1131082063 /nfs/dbraw/zinc/08/20/63/1131082063.db2.gz DDLMKCYHNDUPNB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794418 1131082070 /nfs/dbraw/zinc/08/20/70/1131082070.db2.gz DDLMKCYHNDUPNB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794418 1131082075 /nfs/dbraw/zinc/08/20/75/1131082075.db2.gz DDLMKCYHNDUPNB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794418 1131082081 /nfs/dbraw/zinc/08/20/81/1131082081.db2.gz DDLMKCYHNDUPNB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037887 1131133657 /nfs/dbraw/zinc/13/36/57/1131133657.db2.gz BNMQYDYRJBQQSG-HNNXBMFYSA-N 2 1 345.314 3.662 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037887 1131133658 /nfs/dbraw/zinc/13/36/58/1131133658.db2.gz BNMQYDYRJBQQSG-HNNXBMFYSA-N 2 1 345.314 3.662 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037887 1131133661 /nfs/dbraw/zinc/13/36/61/1131133661.db2.gz BNMQYDYRJBQQSG-HNNXBMFYSA-N 2 1 345.314 3.662 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037887 1131133664 /nfs/dbraw/zinc/13/36/64/1131133664.db2.gz BNMQYDYRJBQQSG-HNNXBMFYSA-N 2 1 345.314 3.662 20 0 EHADMP CCC[N@H+](C[Si](C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733995449 1131180876 /nfs/dbraw/zinc/18/08/76/1131180876.db2.gz AEGYIGFWJOHHMI-UHFFFAOYSA-N 2 1 334.584 3.652 20 0 EHADMP CCC[N@@H+](C[Si](C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733995449 1131180880 /nfs/dbraw/zinc/18/08/80/1131180880.db2.gz AEGYIGFWJOHHMI-UHFFFAOYSA-N 2 1 334.584 3.652 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000180129777 1131645358 /nfs/dbraw/zinc/64/53/58/1131645358.db2.gz NUPWLVAKTCBWID-HOTGVXAUSA-N 2 1 326.488 3.801 20 0 EHADMP COc1ccccc1C[N@@H+]([C@@H](C)CCOC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172437699 1131741241 /nfs/dbraw/zinc/74/12/41/1131741241.db2.gz UTSKXGVZELRWJD-IHPCNDPISA-N 2 1 348.531 3.971 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H](C)CCOC(C)C)C[C@@H]3C2)cc1 ZINC001172445867 1131744746 /nfs/dbraw/zinc/74/47/46/1131744746.db2.gz GOZLGMJWSZSZMD-SESVDKBCSA-N 2 1 330.516 3.562 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H](C)CCOC(C)C)C[C@@H]3C2)cc1 ZINC001172445867 1131744753 /nfs/dbraw/zinc/74/47/53/1131744753.db2.gz GOZLGMJWSZSZMD-SESVDKBCSA-N 2 1 330.516 3.562 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H](C)CCOC(C)C)C[C@@H]3C2)cc1 ZINC001172445867 1131744758 /nfs/dbraw/zinc/74/47/58/1131744758.db2.gz GOZLGMJWSZSZMD-SESVDKBCSA-N 2 1 330.516 3.562 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172467621 1131753900 /nfs/dbraw/zinc/75/39/00/1131753900.db2.gz RYEBYSOLWGDTAE-BZSNNMDCSA-N 2 1 336.545 3.563 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172578822 1131791321 /nfs/dbraw/zinc/79/13/21/1131791321.db2.gz SBQICFJSPGQLJS-ACJLOTCBSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172578822 1131791328 /nfs/dbraw/zinc/79/13/28/1131791328.db2.gz SBQICFJSPGQLJS-ACJLOTCBSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172578822 1131791345 /nfs/dbraw/zinc/79/13/45/1131791345.db2.gz SBQICFJSPGQLJS-ACJLOTCBSA-N 2 1 342.861 3.967 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719621 1131820070 /nfs/dbraw/zinc/82/00/70/1131820070.db2.gz VTEILHNLHDSMEI-GOSISDBHSA-N 2 1 341.886 3.750 20 0 EHADMP Cc1cccc(N([C@H]2Cc3ccc(Cl)cc3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001172723164 1131823871 /nfs/dbraw/zinc/82/38/71/1131823871.db2.gz PSQSTWKCWXBMOA-IBGZPJMESA-N 2 1 341.886 3.769 20 0 EHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@H]1F ZINC001206174152 1131829271 /nfs/dbraw/zinc/82/92/71/1131829271.db2.gz LZDUADSOUZOIDD-QZTJIDSGSA-N 2 1 332.394 3.879 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@H]1F ZINC001206174152 1131829278 /nfs/dbraw/zinc/82/92/78/1131829278.db2.gz LZDUADSOUZOIDD-QZTJIDSGSA-N 2 1 332.394 3.879 20 0 EHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172780873 1131844730 /nfs/dbraw/zinc/84/47/30/1131844730.db2.gz UCJXRYIKKPCHOZ-DKKFBQAASA-N 2 1 338.536 3.869 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173085988 1131964542 /nfs/dbraw/zinc/96/45/42/1131964542.db2.gz QBWDGUUSONALJB-AWEZNQCLSA-N 2 1 342.405 3.686 20 0 EHADMP CC[NH+](CC)C1CCC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1 ZINC001173103937 1131968113 /nfs/dbraw/zinc/96/81/13/1131968113.db2.gz XEDMTEPIINDGIN-UHFFFAOYSA-N 2 1 327.472 3.608 20 0 EHADMP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173125460 1131975380 /nfs/dbraw/zinc/97/53/80/1131975380.db2.gz FEBGOXSMJXXWPI-OAHLLOKOSA-N 2 1 347.915 3.604 20 0 EHADMP COc1cccc2c1C[C@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173155419 1131986008 /nfs/dbraw/zinc/98/60/08/1131986008.db2.gz BVMDUAPWTAQJPG-SZMVWBNQSA-N 2 1 344.499 3.513 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173475426 1132074129 /nfs/dbraw/zinc/07/41/29/1132074129.db2.gz JBUPRBXXAPDDFL-AWEZNQCLSA-N 2 1 330.422 3.529 20 0 EHADMP [NH3+]CCN(c1cccnc1)c1cc[nH+]c2ccc(C(F)(F)F)cc21 ZINC001168836410 1132575295 /nfs/dbraw/zinc/57/52/95/1132575295.db2.gz LYIFNLULZFCNBT-UHFFFAOYSA-N 2 1 332.329 3.745 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001205995561 1132599442 /nfs/dbraw/zinc/59/94/42/1132599442.db2.gz PCLMSVBUFDQDIE-NWDGAFQWSA-N 2 1 345.712 3.909 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094418 1132653042 /nfs/dbraw/zinc/65/30/42/1132653042.db2.gz LKDQPZOIHQNSMG-CLWJZODNSA-N 2 1 347.934 3.692 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[NH+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115580 1132672071 /nfs/dbraw/zinc/67/20/71/1132672071.db2.gz LCQXPQNEHNHHMR-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115580 1132672076 /nfs/dbraw/zinc/67/20/76/1132672076.db2.gz LCQXPQNEHNHHMR-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115580 1132672079 /nfs/dbraw/zinc/67/20/79/1132672079.db2.gz LCQXPQNEHNHHMR-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115580 1132672083 /nfs/dbraw/zinc/67/20/83/1132672083.db2.gz LCQXPQNEHNHHMR-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115580 1132672089 /nfs/dbraw/zinc/67/20/89/1132672089.db2.gz LCQXPQNEHNHHMR-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169114069 1132672944 /nfs/dbraw/zinc/67/29/44/1132672944.db2.gz WBVKDKFQCBBTND-OWZKRDHZSA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146128 1132675749 /nfs/dbraw/zinc/67/57/49/1132675749.db2.gz OVXLWMBRZNDFOW-ZMMAXQRCSA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146128 1132675755 /nfs/dbraw/zinc/67/57/55/1132675755.db2.gz OVXLWMBRZNDFOW-ZMMAXQRCSA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146128 1132675760 /nfs/dbraw/zinc/67/57/60/1132675760.db2.gz OVXLWMBRZNDFOW-ZMMAXQRCSA-N 2 1 334.891 3.808 20 0 EHADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@]1(C)c1cccc(O)c1 ZINC001169147710 1132676682 /nfs/dbraw/zinc/67/66/82/1132676682.db2.gz WAYRJRGCRNFUFD-YLCUBWEDSA-N 2 1 328.500 3.617 20 0 EHADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)c1cccc(O)c1 ZINC001169147710 1132676687 /nfs/dbraw/zinc/67/66/87/1132676687.db2.gz WAYRJRGCRNFUFD-YLCUBWEDSA-N 2 1 328.500 3.617 20 0 EHADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)c1cccc(O)c1 ZINC001169147710 1132676690 /nfs/dbraw/zinc/67/66/90/1132676690.db2.gz WAYRJRGCRNFUFD-YLCUBWEDSA-N 2 1 328.500 3.617 20 0 EHADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162459 1132682674 /nfs/dbraw/zinc/68/26/74/1132682674.db2.gz SPDQNVISVWWGQW-FICVDOATSA-N 2 1 328.378 3.642 20 0 EHADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162459 1132682678 /nfs/dbraw/zinc/68/26/78/1132682678.db2.gz SPDQNVISVWWGQW-FICVDOATSA-N 2 1 328.378 3.642 20 0 EHADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162459 1132682682 /nfs/dbraw/zinc/68/26/82/1132682682.db2.gz SPDQNVISVWWGQW-FICVDOATSA-N 2 1 328.378 3.642 20 0 EHADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162459 1132682684 /nfs/dbraw/zinc/68/26/84/1132682684.db2.gz SPDQNVISVWWGQW-FICVDOATSA-N 2 1 328.378 3.642 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013024 1132788966 /nfs/dbraw/zinc/78/89/66/1132788966.db2.gz OUACHMSYBJVQFW-WCQYABFASA-N 2 1 345.712 3.909 20 0 EHADMP C[C@@H](C[NH+]1CCCCC1)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222709 1133042562 /nfs/dbraw/zinc/04/25/62/1133042562.db2.gz MOFCEEFJFNEHBN-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H](C[NH+]1CCCCC1)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222709 1133042567 /nfs/dbraw/zinc/04/25/67/1133042567.db2.gz MOFCEEFJFNEHBN-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1ccccc1-n1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC001177294930 1133047184 /nfs/dbraw/zinc/04/71/84/1133047184.db2.gz SHFAFCJKNFGURH-ROUUACIJSA-N 2 1 340.515 3.638 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn3ccccc23)[C@H]1c1cccs1 ZINC001177918650 1133113146 /nfs/dbraw/zinc/11/31/46/1133113146.db2.gz BBRDHPXVRVZVAD-BEFAXECRSA-N 2 1 340.496 3.569 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn3ccccc23)[C@H]1c1cccs1 ZINC001177918650 1133113149 /nfs/dbraw/zinc/11/31/49/1133113149.db2.gz BBRDHPXVRVZVAD-BEFAXECRSA-N 2 1 340.496 3.569 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cc(F)c2F)CC1 ZINC001206311540 1133117221 /nfs/dbraw/zinc/11/72/21/1133117221.db2.gz QLXWTTMKIWSUAC-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cc(F)c2F)CC1 ZINC001206311540 1133117224 /nfs/dbraw/zinc/11/72/24/1133117224.db2.gz QLXWTTMKIWSUAC-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001206318772 1133143635 /nfs/dbraw/zinc/14/36/35/1133143635.db2.gz UCVIHXMKIMDWSA-CQSZACIVSA-N 2 1 335.801 3.705 20 0 EHADMP CCCOc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001178462725 1133170600 /nfs/dbraw/zinc/17/06/00/1133170600.db2.gz HUWNEVOBCRGZGU-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC001178916183 1133212073 /nfs/dbraw/zinc/21/20/73/1133212073.db2.gz BBTNEFHVNZVSNE-GFCCVEGCSA-N 2 1 334.357 3.546 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC001179338122 1133245905 /nfs/dbraw/zinc/24/59/05/1133245905.db2.gz CESBJQIGAWMRAU-WIYYLYMNSA-N 2 1 338.495 3.861 20 0 EHADMP COc1ccsc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001179338933 1133246120 /nfs/dbraw/zinc/24/61/20/1133246120.db2.gz OYPDFRURWALONQ-DOTOQJQBSA-N 2 1 330.497 3.614 20 0 EHADMP COc1ccsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001179338933 1133246124 /nfs/dbraw/zinc/24/61/24/1133246124.db2.gz OYPDFRURWALONQ-DOTOQJQBSA-N 2 1 330.497 3.614 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000785503340 1133715238 /nfs/dbraw/zinc/71/52/38/1133715238.db2.gz MAUYLUZODFGZBW-QFBILLFUSA-N 2 1 341.474 3.919 20 0 EHADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001183095264 1133768594 /nfs/dbraw/zinc/76/85/94/1133768594.db2.gz NVJMBSWSGNUPDS-GUDVDZBRSA-N 2 1 334.548 3.824 20 0 EHADMP COC(OC)[C@@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183363999 1133795263 /nfs/dbraw/zinc/79/52/63/1133795263.db2.gz REMOATBKDQOXSJ-UTKZUKDTSA-N 2 1 348.531 3.522 20 0 EHADMP Cc1csc2nc(C)c(C[N@@H+](CC(C)C)CC3CC[NH+](C)CC3)n12 ZINC001183464641 1133810257 /nfs/dbraw/zinc/81/02/57/1133810257.db2.gz VQMKGGZBSVMSRB-UHFFFAOYSA-N 2 1 348.560 3.812 20 0 EHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnc3cc(Br)ccc3c2)CC1 ZINC001205296884 1133940686 /nfs/dbraw/zinc/94/06/86/1133940686.db2.gz VXYXKYGCVXPNLM-KRWDZBQOSA-N 2 1 348.288 3.701 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671333 1133989994 /nfs/dbraw/zinc/98/99/94/1133989994.db2.gz INBFHMLIVCXHQW-RXVVDRJESA-N 2 1 348.506 3.611 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671333 1133989998 /nfs/dbraw/zinc/98/99/98/1133989998.db2.gz INBFHMLIVCXHQW-RXVVDRJESA-N 2 1 348.506 3.611 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000788257546 1134101885 /nfs/dbraw/zinc/10/18/85/1134101885.db2.gz PNWRRBXAYJOKSO-INIZCTEOSA-N 2 1 337.439 3.945 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789358007 1134255231 /nfs/dbraw/zinc/25/52/31/1134255231.db2.gz RQWXQADSCRKYGN-UHFFFAOYSA-N 2 1 339.483 3.786 20 0 EHADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206037031 1134302008 /nfs/dbraw/zinc/30/20/08/1134302008.db2.gz SKNFDIMONAIDSD-UONOGXRCSA-N 2 1 325.294 3.564 20 0 EHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H]1CC[C@H](C)C1)CC2 ZINC001170135226 1134415168 /nfs/dbraw/zinc/41/51/68/1134415168.db2.gz GGZINCYIOGPXRT-MAUKXSAKSA-N 2 1 331.504 3.910 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001170144495 1134468427 /nfs/dbraw/zinc/46/84/27/1134468427.db2.gz KJECYNAGMCZBPL-QUCCMNQESA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000791472623 1134561613 /nfs/dbraw/zinc/56/16/13/1134561613.db2.gz MWCSVXAFVHFKSU-VLCRHTCISA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000791472623 1134561615 /nfs/dbraw/zinc/56/16/15/1134561615.db2.gz MWCSVXAFVHFKSU-VLCRHTCISA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000791472623 1134561618 /nfs/dbraw/zinc/56/16/18/1134561618.db2.gz MWCSVXAFVHFKSU-VLCRHTCISA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000791472623 1134561621 /nfs/dbraw/zinc/56/16/21/1134561621.db2.gz MWCSVXAFVHFKSU-VLCRHTCISA-N 2 1 338.495 3.705 20 0 EHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170189984 1134702956 /nfs/dbraw/zinc/70/29/56/1134702956.db2.gz CQPYFHBHQSSIKQ-UAFMIMERSA-N 2 1 346.515 3.725 20 0 EHADMP CC[C@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001170225394 1134723532 /nfs/dbraw/zinc/72/35/32/1134723532.db2.gz XKTYMZXLWFIPQE-MOPGFXCFSA-N 2 1 332.488 3.525 20 0 EHADMP Cc1ccncc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000792872176 1134804573 /nfs/dbraw/zinc/80/45/73/1134804573.db2.gz MRTWYDXYWUNONQ-UHFFFAOYSA-N 2 1 338.499 3.780 20 0 EHADMP C[N@H+](Cc1ccc2[nH]cnc2c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001137047902 1134928217 /nfs/dbraw/zinc/92/82/17/1134928217.db2.gz SLYVCFDNDGYOAW-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[N@@H+](Cc1ccc2nc[nH]c2c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001137047902 1134928221 /nfs/dbraw/zinc/92/82/21/1134928221.db2.gz SLYVCFDNDGYOAW-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[N@H+](Cc1ccc2nc[nH]c2c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001137047902 1134928227 /nfs/dbraw/zinc/92/82/27/1134928227.db2.gz SLYVCFDNDGYOAW-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000793538298 1134950629 /nfs/dbraw/zinc/95/06/29/1134950629.db2.gz BKBPYRPNNYXKCI-YADHBBJMSA-N 2 1 342.527 3.549 20 0 EHADMP Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531112 1134959930 /nfs/dbraw/zinc/95/99/30/1134959930.db2.gz CSBCSOITBADDLB-HDMKZQKVSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531112 1134959936 /nfs/dbraw/zinc/95/99/36/1134959936.db2.gz CSBCSOITBADDLB-HDMKZQKVSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531112 1134959942 /nfs/dbraw/zinc/95/99/42/1134959942.db2.gz CSBCSOITBADDLB-HDMKZQKVSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531112 1134959947 /nfs/dbraw/zinc/95/99/47/1134959947.db2.gz CSBCSOITBADDLB-HDMKZQKVSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(C)cc1Br ZINC001205591165 1134992657 /nfs/dbraw/zinc/99/26/57/1134992657.db2.gz FXSQWTSNAHFQNI-MRXNPFEDSA-N 2 1 343.284 3.719 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC001205616221 1135071189 /nfs/dbraw/zinc/07/11/89/1135071189.db2.gz DPAULZCVKCTFEJ-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC001205616221 1135071197 /nfs/dbraw/zinc/07/11/97/1135071197.db2.gz DPAULZCVKCTFEJ-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205616226 1135071266 /nfs/dbraw/zinc/07/12/66/1135071266.db2.gz DPOCAVGEVSXNDV-VXGBXAGGSA-N 2 1 345.712 3.909 20 0 EHADMP COc1c(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205617963 1135081495 /nfs/dbraw/zinc/08/14/95/1135081495.db2.gz QAKGRAOBQSBRKZ-DGCLKSJQSA-N 2 1 331.287 3.809 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205626525 1135119781 /nfs/dbraw/zinc/11/97/81/1135119781.db2.gz GXFPHJYMZUZGGT-DGCLKSJQSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205626546 1135120671 /nfs/dbraw/zinc/12/06/71/1135120671.db2.gz HBVWJMFIOHYBAT-UONOGXRCSA-N 2 1 325.294 3.564 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806138413 1135391026 /nfs/dbraw/zinc/39/10/26/1135391026.db2.gz UZZHNSQVZVLIEA-QGZVFWFLSA-N 2 1 329.875 3.964 20 0 EHADMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001197377151 1135687400 /nfs/dbraw/zinc/68/74/00/1135687400.db2.gz KINMUEAOQDHJKK-RXYHWBRQSA-N 2 1 327.859 3.959 20 0 EHADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC001198309133 1135804899 /nfs/dbraw/zinc/80/48/99/1135804899.db2.gz IXKGUUVTGYSOAB-FQEVSTJZSA-N 2 1 349.519 3.806 20 0 EHADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC001198309133 1135804905 /nfs/dbraw/zinc/80/49/05/1135804905.db2.gz IXKGUUVTGYSOAB-FQEVSTJZSA-N 2 1 349.519 3.806 20 0 EHADMP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC001198309133 1135804909 /nfs/dbraw/zinc/80/49/09/1135804909.db2.gz IXKGUUVTGYSOAB-FQEVSTJZSA-N 2 1 349.519 3.806 20 0 EHADMP CC(C)Cc1ncc(C[NH2+]CCCN2CCc3ccccc3C2)s1 ZINC001199237535 1135888997 /nfs/dbraw/zinc/88/89/97/1135888997.db2.gz CPLTWBWRZCKSIP-UHFFFAOYSA-N 2 1 343.540 3.880 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)CC2 ZINC001199335761 1135899079 /nfs/dbraw/zinc/89/90/79/1135899079.db2.gz BYJHNZBYGPFAPQ-CTNGQTDRSA-N 2 1 330.516 3.653 20 0 EHADMP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001199667251 1135918434 /nfs/dbraw/zinc/91/84/34/1135918434.db2.gz MPXZEFIWWFMZQV-KRWDZBQOSA-N 2 1 342.458 3.645 20 0 EHADMP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001199667251 1135918437 /nfs/dbraw/zinc/91/84/37/1135918437.db2.gz MPXZEFIWWFMZQV-KRWDZBQOSA-N 2 1 342.458 3.645 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000776005896 1135918977 /nfs/dbraw/zinc/91/89/77/1135918977.db2.gz FEVCSTATJPBPKR-JXFKEZNVSA-N 2 1 327.472 3.585 20 0 EHADMP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)n1 ZINC001200980143 1135970767 /nfs/dbraw/zinc/97/07/67/1135970767.db2.gz MUIQFYJSLZMYBT-YPGOJHLTSA-N 2 1 337.511 3.945 20 0 EHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC001202167282 1136104630 /nfs/dbraw/zinc/10/46/30/1136104630.db2.gz NUGNYDVSFDEGCT-UHFFFAOYSA-N 2 1 328.500 3.544 20 0 EHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](CC1CCCC1)C2 ZINC001202167615 1136104729 /nfs/dbraw/zinc/10/47/29/1136104729.db2.gz QQNDDWFTELCCQY-UHFFFAOYSA-N 2 1 339.483 3.855 20 0 EHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CC1CCCC1)C2 ZINC001202167615 1136104730 /nfs/dbraw/zinc/10/47/30/1136104730.db2.gz QQNDDWFTELCCQY-UHFFFAOYSA-N 2 1 339.483 3.855 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CC1CCCC1)C2 ZINC001202167615 1136104731 /nfs/dbraw/zinc/10/47/31/1136104731.db2.gz QQNDDWFTELCCQY-UHFFFAOYSA-N 2 1 339.483 3.855 20 0 EHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](CC1CCCC1)C2 ZINC001202167615 1136104733 /nfs/dbraw/zinc/10/47/33/1136104733.db2.gz QQNDDWFTELCCQY-UHFFFAOYSA-N 2 1 339.483 3.855 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170676958 1136202572 /nfs/dbraw/zinc/20/25/72/1136202572.db2.gz KAPDWXGROPGBPL-SZMVWBNQSA-N 2 1 334.454 3.947 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850529967 1136279057 /nfs/dbraw/zinc/27/90/57/1136279057.db2.gz VCGQIAKRLJCBRE-YPVJZLTNSA-N 2 1 336.479 3.665 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850529967 1136279059 /nfs/dbraw/zinc/27/90/59/1136279059.db2.gz VCGQIAKRLJCBRE-YPVJZLTNSA-N 2 1 336.479 3.665 20 0 EHADMP C[C@H](CCCCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813882018 1136372514 /nfs/dbraw/zinc/37/25/14/1136372514.db2.gz YTSRIQPVVZFVSX-LBFURVHYSA-N 2 1 330.516 3.713 20 0 EHADMP Fc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000852086618 1136432652 /nfs/dbraw/zinc/43/26/52/1136432652.db2.gz RYJHYWGKOOAWNC-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815115027 1136550465 /nfs/dbraw/zinc/55/04/65/1136550465.db2.gz DNECGCBMZMAAGD-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815115027 1136550470 /nfs/dbraw/zinc/55/04/70/1136550470.db2.gz DNECGCBMZMAAGD-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP FC(F)(F)C1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000854222263 1136599132 /nfs/dbraw/zinc/59/91/32/1136599132.db2.gz DMEHMLDRDYVEBY-BHUNQDJPSA-N 2 1 326.406 3.843 20 0 EHADMP COc1ccc([C@@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000543702769 1136655159 /nfs/dbraw/zinc/65/51/59/1136655159.db2.gz PGFVTZYLJKPSMJ-IERDGZPVSA-N 2 1 342.458 3.855 20 0 EHADMP COC1(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC1 ZINC000429517602 1136663279 /nfs/dbraw/zinc/66/32/79/1136663279.db2.gz SAGNYXOIMCSKKD-AWEZNQCLSA-N 2 1 331.435 3.757 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897241 1136843817 /nfs/dbraw/zinc/84/38/17/1136843817.db2.gz IDMKGITUPQNBPZ-INIZCTEOSA-N 3 1 344.547 3.544 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2nc(Br)cs2)cc1 ZINC000817964200 1136852095 /nfs/dbraw/zinc/85/20/95/1136852095.db2.gz ZIOMIQFGVHZCJO-NXEZZACHSA-N 2 1 340.290 3.776 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000818985445 1136896946 /nfs/dbraw/zinc/89/69/46/1136896946.db2.gz SVASIQPBRLYSTH-UWJYYQICSA-N 2 1 326.484 3.583 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000818969211 1136900152 /nfs/dbraw/zinc/90/01/52/1136900152.db2.gz AMLWWXTUBMEGBL-OAQYLSRUSA-N 2 1 326.484 3.578 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000818971459 1136900821 /nfs/dbraw/zinc/90/08/21/1136900821.db2.gz WZWLWPSCKYGHCW-LJQANCHMSA-N 2 1 332.875 3.615 20 0 EHADMP c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000857852119 1136913486 /nfs/dbraw/zinc/91/34/86/1136913486.db2.gz VUHHKOGBEUEUJH-HXUWFJFHSA-N 2 1 338.499 3.953 20 0 EHADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1Cl ZINC000819279202 1136930651 /nfs/dbraw/zinc/93/06/51/1136930651.db2.gz XVKBDBBFDTUWRO-KVULBXGLSA-N 2 1 343.298 3.633 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858099490 1136939965 /nfs/dbraw/zinc/93/99/65/1136939965.db2.gz OZWPEGWWINZDDQ-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Cl ZINC000820824479 1137005844 /nfs/dbraw/zinc/00/58/44/1137005844.db2.gz SWIUZYRGQSIKFB-RFXRPKLXSA-N 2 1 334.891 3.775 20 0 EHADMP Cc1cnn(CCCCC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859213991 1137007880 /nfs/dbraw/zinc/00/78/80/1137007880.db2.gz DRYXCXFEDREHRD-UHFFFAOYSA-N 2 1 328.504 3.555 20 0 EHADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171085051 1137174901 /nfs/dbraw/zinc/17/49/01/1137174901.db2.gz DKJUKCVIQZHMEQ-AWEZNQCLSA-N 2 1 336.266 3.606 20 0 EHADMP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171085051 1137174902 /nfs/dbraw/zinc/17/49/02/1137174902.db2.gz DKJUKCVIQZHMEQ-AWEZNQCLSA-N 2 1 336.266 3.606 20 0 EHADMP C[N@H+]1CC[C@]2(CCN([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089174 1137177830 /nfs/dbraw/zinc/17/78/30/1137177830.db2.gz YQRCQOIMKHMXKM-QAPCUYQASA-N 2 1 339.310 3.878 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089174 1137177831 /nfs/dbraw/zinc/17/78/31/1137177831.db2.gz YQRCQOIMKHMXKM-QAPCUYQASA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089174 1137177832 /nfs/dbraw/zinc/17/78/32/1137177832.db2.gz YQRCQOIMKHMXKM-QAPCUYQASA-N 2 1 339.310 3.878 20 0 EHADMP CC(C)[NH+]1CCC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000865715181 1137306181 /nfs/dbraw/zinc/30/61/81/1137306181.db2.gz LAYHQTFNDBAJJP-UHFFFAOYSA-N 3 1 343.559 3.751 20 0 EHADMP CC(C)([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCCO1 ZINC000865744108 1137308031 /nfs/dbraw/zinc/30/80/31/1137308031.db2.gz MPOJBZCNJONOPG-FQEVSTJZSA-N 2 1 348.506 3.770 20 0 EHADMP CN(Cc1[nH+]cn2ccccc12)C1CC[NH+](C2CCCCC2)CC1 ZINC001144627823 1137320241 /nfs/dbraw/zinc/32/02/41/1137320241.db2.gz XMBFCTCQKASSRU-UHFFFAOYSA-N 2 1 326.488 3.563 20 0 EHADMP c1ccc(CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230011 1137336803 /nfs/dbraw/zinc/33/68/03/1137336803.db2.gz VHTWGQGHAYWFRL-SIKLNZKXSA-N 2 1 335.495 3.829 20 0 EHADMP c1ccc(CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230011 1137336804 /nfs/dbraw/zinc/33/68/04/1137336804.db2.gz VHTWGQGHAYWFRL-SIKLNZKXSA-N 2 1 335.495 3.829 20 0 EHADMP C[C@@H](COc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000772949488 1137361671 /nfs/dbraw/zinc/36/16/71/1137361671.db2.gz AXEGMCLCNBLGRQ-IBGZPJMESA-N 2 1 338.495 3.751 20 0 EHADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C(F)(F)F)cc1 ZINC000846783620 1137365544 /nfs/dbraw/zinc/36/55/44/1137365544.db2.gz BCCUDWVXJQCDPH-UHFFFAOYSA-N 2 1 325.378 3.894 20 0 EHADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C(F)(F)F)cc1 ZINC000846783620 1137365546 /nfs/dbraw/zinc/36/55/46/1137365546.db2.gz BCCUDWVXJQCDPH-UHFFFAOYSA-N 2 1 325.378 3.894 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2c(CC[NH3+])cc3ccccc32)nc1 ZINC001171302653 1137405897 /nfs/dbraw/zinc/40/58/97/1137405897.db2.gz PQOFBLIHSKHZLW-QGZVFWFLSA-N 2 1 348.494 3.901 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)CC2 ZINC001171325586 1137421458 /nfs/dbraw/zinc/42/14/58/1137421458.db2.gz AYCLYBOWUPIMAT-HNNXBMFYSA-N 2 1 348.918 3.624 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000712394436 1137468107 /nfs/dbraw/zinc/46/81/07/1137468107.db2.gz AACMJHNNZDQJNI-YZGWKJHDSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000712394436 1137468108 /nfs/dbraw/zinc/46/81/08/1137468108.db2.gz AACMJHNNZDQJNI-YZGWKJHDSA-N 2 1 328.500 3.731 20 0 EHADMP OC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961324 1137474789 /nfs/dbraw/zinc/47/47/89/1137474789.db2.gz MCYAWQDSGORPHM-LEWJYISDSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961324 1137474790 /nfs/dbraw/zinc/47/47/90/1137474790.db2.gz MCYAWQDSGORPHM-LEWJYISDSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961324 1137474791 /nfs/dbraw/zinc/47/47/91/1137474791.db2.gz MCYAWQDSGORPHM-LEWJYISDSA-N 2 1 342.527 3.668 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000716276444 1137487115 /nfs/dbraw/zinc/48/71/15/1137487115.db2.gz HGTLMKHUBMJTJV-HXUWFJFHSA-N 2 1 328.500 3.590 20 0 EHADMP Cc1cccc(Br)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001248618715 1137489872 /nfs/dbraw/zinc/48/98/72/1137489872.db2.gz FZKSWJUPRQMSSQ-UHFFFAOYSA-N 2 1 337.305 3.675 20 0 EHADMP Cc1cccc2c1CC[C@H]([NH2+]C1CCN(c3[nH+]cccc3C)CC1)C2 ZINC001171558022 1137497789 /nfs/dbraw/zinc/49/77/89/1137497789.db2.gz ZRJBBGBYFFQCFW-FQEVSTJZSA-N 2 1 335.495 3.814 20 0 EHADMP C[NH+]1C(C)(C)CC(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1(C)C ZINC001171626763 1137501348 /nfs/dbraw/zinc/50/13/48/1137501348.db2.gz AWNKHFJOHKRBDH-FQEVSTJZSA-N 2 1 343.559 3.892 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC1(C)C ZINC001171626763 1137501349 /nfs/dbraw/zinc/50/13/49/1137501349.db2.gz AWNKHFJOHKRBDH-FQEVSTJZSA-N 2 1 343.559 3.892 20 0 EHADMP Cc1cccc(C[N@@H+]2CC[C@H](NC3CC(C)(C)[NH+](C)C(C)(C)C3)C2)c1 ZINC001171627344 1137501684 /nfs/dbraw/zinc/50/16/84/1137501684.db2.gz QFTIGWRHXRYSLL-IBGZPJMESA-N 2 1 343.559 3.810 20 0 EHADMP Cc1cccc(CN2CC[C@H]([NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)c1 ZINC001171627344 1137501686 /nfs/dbraw/zinc/50/16/86/1137501686.db2.gz QFTIGWRHXRYSLL-IBGZPJMESA-N 2 1 343.559 3.810 20 0 EHADMP COc1ccc2c(c1)c(C[NH3+])cn2[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733473 1137505235 /nfs/dbraw/zinc/50/52/35/1137505235.db2.gz TWHPBWNDHNFRCU-QFBILLFUSA-N 2 1 349.478 3.944 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171732354 1137507110 /nfs/dbraw/zinc/50/71/10/1137507110.db2.gz JFIKLRZWHWWLCP-IEBWSBKVSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CN1Cc1ccccc1 ZINC001171732354 1137507112 /nfs/dbraw/zinc/50/71/12/1137507112.db2.gz JFIKLRZWHWWLCP-IEBWSBKVSA-N 2 1 343.559 3.890 20 0 EHADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171759090 1137509050 /nfs/dbraw/zinc/50/90/50/1137509050.db2.gz GPMDWXPWEAXYNG-KPFFTGBYSA-N 2 1 338.499 3.561 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171776310 1137509827 /nfs/dbraw/zinc/50/98/27/1137509827.db2.gz TYFXOLLRNAEUNI-LSTHTHJFSA-N 2 1 338.470 3.936 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001171776310 1137509829 /nfs/dbraw/zinc/50/98/29/1137509829.db2.gz TYFXOLLRNAEUNI-LSTHTHJFSA-N 2 1 338.470 3.936 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171791014 1137512637 /nfs/dbraw/zinc/51/26/37/1137512637.db2.gz XNJKSSCDLUEDQT-WVBUVRCRSA-N 2 1 338.470 3.793 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171791014 1137512638 /nfs/dbraw/zinc/51/26/38/1137512638.db2.gz XNJKSSCDLUEDQT-WVBUVRCRSA-N 2 1 338.470 3.793 20 0 EHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001171920914 1137517089 /nfs/dbraw/zinc/51/70/89/1137517089.db2.gz DMLGBVQACZZADP-AQEOSJORSA-N 2 1 338.536 3.595 20 0 EHADMP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973380 1137524188 /nfs/dbraw/zinc/52/41/88/1137524188.db2.gz XZRWQIUSBIKGPR-HKBOAZHASA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CCC(CCO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974169 1137524437 /nfs/dbraw/zinc/52/44/37/1137524437.db2.gz CUJFSVOOMYQEIW-DQVLVPHSSA-N 2 1 344.543 3.960 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171976980 1137525339 /nfs/dbraw/zinc/52/53/39/1137525339.db2.gz WEHBKYKQJGKZKM-FQEVSTJZSA-N 3 1 331.548 3.928 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC001171976980 1137525341 /nfs/dbraw/zinc/52/53/41/1137525341.db2.gz WEHBKYKQJGKZKM-FQEVSTJZSA-N 2 1 331.548 3.928 20 0 EHADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977477 1137526228 /nfs/dbraw/zinc/52/62/28/1137526228.db2.gz BNHNJOJZJRMBRE-NJDAHSKKSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977477 1137526229 /nfs/dbraw/zinc/52/62/29/1137526229.db2.gz BNHNJOJZJRMBRE-NJDAHSKKSA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987719 1137528206 /nfs/dbraw/zinc/52/82/06/1137528206.db2.gz IFHBDAFUGYBVJO-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987719 1137528207 /nfs/dbraw/zinc/52/82/07/1137528207.db2.gz IFHBDAFUGYBVJO-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987719 1137528209 /nfs/dbraw/zinc/52/82/09/1137528209.db2.gz IFHBDAFUGYBVJO-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)CO1 ZINC001172081441 1137531361 /nfs/dbraw/zinc/53/13/61/1137531361.db2.gz FOBGWXMDUAKQMV-YCXYWVQESA-N 2 1 328.500 3.681 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172081283 1137531495 /nfs/dbraw/zinc/53/14/95/1137531495.db2.gz DZRGQRZESWHGQN-PLACYPQZSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081283 1137531496 /nfs/dbraw/zinc/53/14/96/1137531496.db2.gz DZRGQRZESWHGQN-PLACYPQZSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081283 1137531497 /nfs/dbraw/zinc/53/14/97/1137531497.db2.gz DZRGQRZESWHGQN-PLACYPQZSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172081283 1137531498 /nfs/dbraw/zinc/53/14/98/1137531498.db2.gz DZRGQRZESWHGQN-PLACYPQZSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172081283 1137531499 /nfs/dbraw/zinc/53/14/99/1137531499.db2.gz DZRGQRZESWHGQN-PLACYPQZSA-N 2 1 342.527 3.807 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCc1cncc(C(F)(F)F)c1)C2 ZINC001172101183 1137531944 /nfs/dbraw/zinc/53/19/44/1137531944.db2.gz XGWYQORFPVSRMM-BJWYYQGGSA-N 2 1 341.421 3.638 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001172098394 1137532391 /nfs/dbraw/zinc/53/23/91/1137532391.db2.gz CWXJXXZCBZQMEU-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001172098394 1137532393 /nfs/dbraw/zinc/53/23/93/1137532393.db2.gz CWXJXXZCBZQMEU-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062313 1137532946 /nfs/dbraw/zinc/53/29/46/1137532946.db2.gz MDRNUTCKIZVNKK-MZADTFQBSA-N 2 1 344.543 3.960 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2ccccn2)C3)cc1 ZINC001172069525 1137534390 /nfs/dbraw/zinc/53/43/90/1137534390.db2.gz UUGQSXIYRSNVNC-KOUNCHBCSA-N 2 1 335.495 3.799 20 0 EHADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001172070186 1137534808 /nfs/dbraw/zinc/53/48/08/1137534808.db2.gz MVMQLNIQDAAFHE-WOZUAGRISA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cccc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172129379 1137535364 /nfs/dbraw/zinc/53/53/64/1137535364.db2.gz YXRGVHVSTQOYRF-REPLKXPHSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1cccc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172129379 1137535366 /nfs/dbraw/zinc/53/53/66/1137535366.db2.gz YXRGVHVSTQOYRF-REPLKXPHSA-N 2 1 328.500 3.854 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172128369 1137535477 /nfs/dbraw/zinc/53/54/77/1137535477.db2.gz RJILXCWRALDBSF-LMCOJAPRSA-N 2 1 338.499 3.922 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172128369 1137535478 /nfs/dbraw/zinc/53/54/78/1137535478.db2.gz RJILXCWRALDBSF-LMCOJAPRSA-N 2 1 338.499 3.922 20 0 EHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172118169 1137538366 /nfs/dbraw/zinc/53/83/66/1137538366.db2.gz PBTWMQWTQOLKTF-OSYLJGHBSA-N 2 1 337.305 3.862 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001172117948 1137538487 /nfs/dbraw/zinc/53/84/87/1137538487.db2.gz SUFRKTCZBQPLLO-OFELHODLSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001172117948 1137538489 /nfs/dbraw/zinc/53/84/89/1137538489.db2.gz SUFRKTCZBQPLLO-OFELHODLSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001172117948 1137538490 /nfs/dbraw/zinc/53/84/90/1137538490.db2.gz SUFRKTCZBQPLLO-OFELHODLSA-N 2 1 332.532 3.529 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172201555 1137543979 /nfs/dbraw/zinc/54/39/79/1137543979.db2.gz PKWPDFMOWFNLMC-QGZVFWFLSA-N 2 1 339.508 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001172413257 1137556051 /nfs/dbraw/zinc/55/60/51/1137556051.db2.gz IMIVDHQGCJBYJN-AWEZNQCLSA-N 2 1 344.421 3.770 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020337 1137565029 /nfs/dbraw/zinc/56/50/29/1137565029.db2.gz GFCWMRRYMLNKFL-DNVCBOLYSA-N 2 1 344.499 3.545 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000872107059 1137571489 /nfs/dbraw/zinc/57/14/89/1137571489.db2.gz OGMOPFFHSHNSOA-BBRMVZONSA-N 2 1 337.305 3.553 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4oc(=O)[nH]c4c3)CC2)C1 ZINC000872123919 1137572917 /nfs/dbraw/zinc/57/29/17/1137572917.db2.gz XYLFQYHBNVIONH-RHSMWYFYSA-N 2 1 343.471 3.666 20 0 EHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1)C1CCCC1 ZINC000872156723 1137574215 /nfs/dbraw/zinc/57/42/15/1137574215.db2.gz LMAXHVMKRMETLX-WFASDCNBSA-N 2 1 327.925 3.916 20 0 EHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1)C1CCCC1 ZINC000872156176 1137574347 /nfs/dbraw/zinc/57/43/47/1137574347.db2.gz FUOPFGGPXKOINK-YJBOKZPZSA-N 2 1 331.504 3.673 20 0 EHADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(OC(F)F)cc1 ZINC000873201747 1137593994 /nfs/dbraw/zinc/59/39/94/1137593994.db2.gz VVMXNNXAENRQMJ-UHFFFAOYSA-N 2 1 338.423 3.627 20 0 EHADMP COc1ccc2nc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)sc2c1 ZINC000873223004 1137594271 /nfs/dbraw/zinc/59/42/71/1137594271.db2.gz GJCADCXLYJZBTL-GOSISDBHSA-N 2 1 333.501 3.502 20 0 EHADMP COc1ccc2nc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)sc2c1 ZINC000873223004 1137594272 /nfs/dbraw/zinc/59/42/72/1137594272.db2.gz GJCADCXLYJZBTL-GOSISDBHSA-N 2 1 333.501 3.502 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000873226736 1137594389 /nfs/dbraw/zinc/59/43/89/1137594389.db2.gz AHDVPUNGTYEQHS-PBHICJAKSA-N 2 1 342.405 3.577 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000873226736 1137594390 /nfs/dbraw/zinc/59/43/90/1137594390.db2.gz AHDVPUNGTYEQHS-PBHICJAKSA-N 2 1 342.405 3.577 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876719073 1137659609 /nfs/dbraw/zinc/65/96/09/1137659609.db2.gz CHVPCQDCQAGZQR-UKBCLVJRSA-N 2 1 341.499 3.555 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc3ccncc3s2)cc1 ZINC000825916858 1137662566 /nfs/dbraw/zinc/66/25/66/1137662566.db2.gz VLMRFIYNFBGLQC-UHFFFAOYSA-N 2 1 325.481 3.990 20 0 EHADMP CCOC1CC(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000876866826 1137664212 /nfs/dbraw/zinc/66/42/12/1137664212.db2.gz YKNXJOOVYIHQPW-UHFFFAOYSA-N 2 1 345.531 3.692 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000876920262 1137665298 /nfs/dbraw/zinc/66/52/98/1137665298.db2.gz LXNUYCJGQWITQY-UHFFFAOYSA-N 2 1 343.902 3.719 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc3c(s2)CCC3)cn1 ZINC000126400100 1137672530 /nfs/dbraw/zinc/67/25/30/1137672530.db2.gz UFWZTBKTTYPPEG-ZDUSSCGKSA-N 2 1 338.480 3.977 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000877585322 1137682116 /nfs/dbraw/zinc/68/21/16/1137682116.db2.gz SHGCISBYYFVUDU-QGZVFWFLSA-N 2 1 347.503 3.855 20 0 EHADMP CC(C)C[N@H+](Cc1nc2cc(F)ccc2o1)CC1CC[NH+](C)CC1 ZINC000877767833 1137688916 /nfs/dbraw/zinc/68/89/16/1137688916.db2.gz WWJVJLZKTVIDKO-UHFFFAOYSA-N 2 1 333.451 3.767 20 0 EHADMP CSCc1cnc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767249 1137688967 /nfs/dbraw/zinc/68/89/67/1137688967.db2.gz DNFVHWBJMMRGES-UHFFFAOYSA-N 2 1 341.590 3.806 20 0 EHADMP Cc1nccn1CCC[N@H+](C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878287949 1137709866 /nfs/dbraw/zinc/70/98/66/1137709866.db2.gz KBWVTKWGRZCUFO-UXHICEINSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878287949 1137709867 /nfs/dbraw/zinc/70/98/67/1137709867.db2.gz KBWVTKWGRZCUFO-UXHICEINSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878287949 1137709868 /nfs/dbraw/zinc/70/98/68/1137709868.db2.gz KBWVTKWGRZCUFO-UXHICEINSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552223 1137750687 /nfs/dbraw/zinc/75/06/87/1137750687.db2.gz TVIHMOIQDIXLJC-UHFFFAOYSA-N 2 1 343.475 3.502 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176307 1137847408 /nfs/dbraw/zinc/84/74/08/1137847408.db2.gz ZYRDCSPYTOCCOS-JXFKEZNVSA-N 2 1 334.479 3.615 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000883356482 1137857187 /nfs/dbraw/zinc/85/71/87/1137857187.db2.gz PFNVUTTXNCVXOZ-FQEVSTJZSA-N 2 1 346.490 3.524 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258978 1137886182 /nfs/dbraw/zinc/88/61/82/1137886182.db2.gz ZEDWIFKJQFVHOB-QGZVFWFLSA-N 2 1 327.447 3.880 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258978 1137886183 /nfs/dbraw/zinc/88/61/83/1137886183.db2.gz ZEDWIFKJQFVHOB-QGZVFWFLSA-N 2 1 327.447 3.880 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258978 1137886184 /nfs/dbraw/zinc/88/61/84/1137886184.db2.gz ZEDWIFKJQFVHOB-QGZVFWFLSA-N 2 1 327.447 3.880 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCC1CCOCC1)CC2 ZINC001202638805 1137903158 /nfs/dbraw/zinc/90/31/58/1137903158.db2.gz ZWKZWERMCLJEJK-FQEVSTJZSA-N 2 1 346.515 3.773 20 0 EHADMP C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1ncc(CN(C)C)s1 ZINC000348291135 1137903967 /nfs/dbraw/zinc/90/39/67/1137903967.db2.gz STMUCBTWZDLVEU-NVXWUHKLSA-N 2 1 329.513 3.973 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331697554 1137917558 /nfs/dbraw/zinc/91/75/58/1137917558.db2.gz DEVKZHRTDXTNHZ-NUJGCVRESA-N 2 1 329.488 3.770 20 0 EHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397206 1137925623 /nfs/dbraw/zinc/92/56/23/1137925623.db2.gz DWNONADCVBEGGV-DLBZAZTESA-N 2 1 333.520 3.586 20 0 EHADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000119734281 1137944136 /nfs/dbraw/zinc/94/41/36/1137944136.db2.gz AJRPWVDAFPMIEQ-KRWDZBQOSA-N 2 1 340.389 3.789 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000885920806 1138024837 /nfs/dbraw/zinc/02/48/37/1138024837.db2.gz HRQMAAHPZHBSEH-PZJWPPBQSA-N 2 1 330.516 3.631 20 0 EHADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000348367269 1138052640 /nfs/dbraw/zinc/05/26/40/1138052640.db2.gz CSSKCQIFMNFUTI-VAMGGRTRSA-N 2 1 330.516 3.558 20 0 EHADMP FC(F)(F)c1cc(C[NH+]2C[C@@H]3C[C@@H]3C2)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886348478 1138069741 /nfs/dbraw/zinc/06/97/41/1138069741.db2.gz MUYMAUDDYNFRDH-WNKDZCFJSA-N 2 1 336.401 3.609 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000886495410 1138083691 /nfs/dbraw/zinc/08/36/91/1138083691.db2.gz XQPWWEKFDXSBAQ-IBGZPJMESA-N 2 1 327.447 3.901 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000886541109 1138093349 /nfs/dbraw/zinc/09/33/49/1138093349.db2.gz QSMDISHVBARAPK-OVQGTLEDSA-N 2 1 335.495 3.815 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000886541109 1138093351 /nfs/dbraw/zinc/09/33/51/1138093351.db2.gz QSMDISHVBARAPK-OVQGTLEDSA-N 2 1 335.495 3.815 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)[C@H](C)C1 ZINC000090399932 1138210286 /nfs/dbraw/zinc/21/02/86/1138210286.db2.gz LLUGZIYSMCZIMS-CRAIPNDOSA-N 2 1 343.540 3.981 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000093644288 1138239472 /nfs/dbraw/zinc/23/94/72/1138239472.db2.gz XORWLQJFSQCOLL-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644288 1138239473 /nfs/dbraw/zinc/23/94/73/1138239473.db2.gz XORWLQJFSQCOLL-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644288 1138239474 /nfs/dbraw/zinc/23/94/74/1138239474.db2.gz XORWLQJFSQCOLL-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CCN1C ZINC000123642349 1138272789 /nfs/dbraw/zinc/27/27/89/1138272789.db2.gz PSLBTIMUJUZDKD-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123642349 1138272791 /nfs/dbraw/zinc/27/27/91/1138272791.db2.gz PSLBTIMUJUZDKD-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000123642349 1138272793 /nfs/dbraw/zinc/27/27/93/1138272793.db2.gz PSLBTIMUJUZDKD-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000123947719 1138276329 /nfs/dbraw/zinc/27/63/29/1138276329.db2.gz FKCWBLPQJSKVCN-INIZCTEOSA-N 2 1 340.467 3.760 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000124001669 1138277282 /nfs/dbraw/zinc/27/72/82/1138277282.db2.gz NMXSYNPZHAFWAR-OAHLLOKOSA-N 2 1 326.440 3.718 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000127042758 1138345383 /nfs/dbraw/zinc/34/53/83/1138345383.db2.gz VMXMAGPWXTUEFM-OAQYLSRUSA-N 2 1 342.527 3.775 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337430487 1138566951 /nfs/dbraw/zinc/56/69/51/1138566951.db2.gz FDDWAQQCIWUBET-WSTZPKSXSA-N 2 1 345.531 3.994 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337486277 1138583633 /nfs/dbraw/zinc/58/36/33/1138583633.db2.gz SRHUMYIPEWBRPK-KSZLIROESA-N 2 1 348.535 3.538 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000133460706 1138640606 /nfs/dbraw/zinc/64/06/06/1138640606.db2.gz VQMKBRAMVZMUGH-UHFFFAOYSA-N 2 1 349.425 3.784 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000338010492 1138723482 /nfs/dbraw/zinc/72/34/82/1138723482.db2.gz UWGKDNPILIVNLA-QMMLZNLJSA-N 2 1 348.506 3.651 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000338012407 1138723829 /nfs/dbraw/zinc/72/38/29/1138723829.db2.gz QQJNOBVXIGZXHF-HXUWFJFHSA-N 2 1 339.483 3.964 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338198588 1138784573 /nfs/dbraw/zinc/78/45/73/1138784573.db2.gz SWTZVZVLIBILJQ-NQIIRXRSSA-N 2 1 338.499 3.615 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338198588 1138784575 /nfs/dbraw/zinc/78/45/75/1138784575.db2.gz SWTZVZVLIBILJQ-NQIIRXRSSA-N 2 1 338.499 3.615 20 0 EHADMP CC[NH+](CC)CCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000338290890 1138819066 /nfs/dbraw/zinc/81/90/66/1138819066.db2.gz WPNVXIGIWMKMTD-UHFFFAOYSA-N 2 1 343.559 3.706 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000338290890 1138819074 /nfs/dbraw/zinc/81/90/74/1138819074.db2.gz WPNVXIGIWMKMTD-UHFFFAOYSA-N 3 1 343.559 3.706 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000338290890 1138819081 /nfs/dbraw/zinc/81/90/81/1138819081.db2.gz WPNVXIGIWMKMTD-UHFFFAOYSA-N 3 1 343.559 3.706 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000153086850 1139121558 /nfs/dbraw/zinc/12/15/58/1139121558.db2.gz CLGAURDOBMIKQI-VXCLMFOKSA-N 2 1 330.516 3.781 20 0 EHADMP C[C@@H](CCc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000177325333 1139613346 /nfs/dbraw/zinc/61/33/46/1139613346.db2.gz AXWGLTXEFVAFAC-IBGZPJMESA-N 2 1 330.516 3.632 20 0 EHADMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178256379 1139681700 /nfs/dbraw/zinc/68/17/00/1139681700.db2.gz CCMRSPOPUQJAJJ-IBGZPJMESA-N 2 1 326.484 3.897 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178413504 1139693103 /nfs/dbraw/zinc/69/31/03/1139693103.db2.gz SIWWCPATWXWHHU-AWEZNQCLSA-N 2 1 330.501 3.650 20 0 EHADMP C[N@@H+](Cc1cc2ccccc2o1)C1CCN(CCc2ccccn2)CC1 ZINC000178538073 1139702456 /nfs/dbraw/zinc/70/24/56/1139702456.db2.gz GBYSDEFLAQLBAC-UHFFFAOYSA-N 2 1 349.478 3.967 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCS2 ZINC000187758289 1140269747 /nfs/dbraw/zinc/26/97/47/1140269747.db2.gz YICMQRFAPJKBGT-KSSFIOAISA-N 2 1 332.513 3.696 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000187776875 1140271361 /nfs/dbraw/zinc/27/13/61/1140271361.db2.gz KTIQRQOWIZNKCA-FUHWJXTLSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000187776875 1140271364 /nfs/dbraw/zinc/27/13/64/1140271364.db2.gz KTIQRQOWIZNKCA-FUHWJXTLSA-N 2 1 338.499 3.868 20 0 EHADMP c1cn(-c2ccccc2)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000190703888 1140414663 /nfs/dbraw/zinc/41/46/63/1140414663.db2.gz XGSATJTXXIIRIC-UHFFFAOYSA-N 2 1 346.478 3.758 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCS2 ZINC000191498229 1140467010 /nfs/dbraw/zinc/46/70/10/1140467010.db2.gz ZWMPSQFUBBQKNR-GOSISDBHSA-N 2 1 332.513 3.696 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1C)CCS2 ZINC000191518520 1140469122 /nfs/dbraw/zinc/46/91/22/1140469122.db2.gz QAZQWIXPLKDLDH-QGZVFWFLSA-N 2 1 331.485 3.807 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC(NCc1c(F)cccc1Br)C2 ZINC000192600386 1140539346 /nfs/dbraw/zinc/53/93/46/1140539346.db2.gz IDONKVBGJWUOKA-YHWZYXNKSA-N 2 1 341.268 3.693 20 0 EHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266901415 1140735359 /nfs/dbraw/zinc/73/53/59/1140735359.db2.gz GSMCTKLGOLVLGQ-MAUKXSAKSA-N 2 1 348.450 3.770 20 0 EHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266901415 1140735363 /nfs/dbraw/zinc/73/53/63/1140735363.db2.gz GSMCTKLGOLVLGQ-MAUKXSAKSA-N 2 1 348.450 3.770 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268756422 1140983410 /nfs/dbraw/zinc/98/34/10/1140983410.db2.gz JROUWRNSKBGBQJ-CRAIPNDOSA-N 2 1 329.513 3.637 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268756422 1140983413 /nfs/dbraw/zinc/98/34/13/1140983413.db2.gz JROUWRNSKBGBQJ-CRAIPNDOSA-N 2 1 329.513 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013482 /nfs/dbraw/zinc/01/34/82/1141013482.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013490 /nfs/dbraw/zinc/01/34/90/1141013490.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013498 /nfs/dbraw/zinc/01/34/98/1141013498.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013507 /nfs/dbraw/zinc/01/35/07/1141013507.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013516 /nfs/dbraw/zinc/01/35/16/1141013516.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013523 /nfs/dbraw/zinc/01/35/23/1141013523.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013532 /nfs/dbraw/zinc/01/35/32/1141013532.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013540 /nfs/dbraw/zinc/01/35/40/1141013540.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869467 1141013546 /nfs/dbraw/zinc/01/35/46/1141013546.db2.gz JVJWTQPYKMBHOI-KSEOMHKRSA-N 3 1 343.559 3.750 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000268921480 1141026162 /nfs/dbraw/zinc/02/61/62/1141026162.db2.gz WOJOQZFTWBVRGW-OAQYLSRUSA-N 2 1 342.527 3.551 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269008680 1141045411 /nfs/dbraw/zinc/04/54/11/1141045411.db2.gz MDZSLIKCJCVEMK-TWOQFEAHSA-N 2 1 341.499 3.865 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269008680 1141045418 /nfs/dbraw/zinc/04/54/18/1141045418.db2.gz MDZSLIKCJCVEMK-TWOQFEAHSA-N 2 1 341.499 3.865 20 0 EHADMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC ZINC000269012567 1141046633 /nfs/dbraw/zinc/04/66/33/1141046633.db2.gz NXCPBDBHYQLQAG-OAHLLOKOSA-N 2 1 332.488 3.509 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1 ZINC000269027638 1141049924 /nfs/dbraw/zinc/04/99/24/1141049924.db2.gz QWNQVQVFDNQGSS-QWHCGFSZSA-N 2 1 341.377 3.799 20 0 EHADMP O[C@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1Cl ZINC000270324970 1141207013 /nfs/dbraw/zinc/20/70/13/1141207013.db2.gz JYGPUZXITDSODO-XHDPSFHLSA-N 2 1 340.254 3.630 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434702 1141222787 /nfs/dbraw/zinc/22/27/87/1141222787.db2.gz JGMOTKSQCUBTKZ-QWRGUYRKSA-N 2 1 328.287 3.711 20 0 EHADMP Clc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000283201833 1141572110 /nfs/dbraw/zinc/57/21/10/1141572110.db2.gz RLAZVIJVCJFVFE-DOMZBBRYSA-N 2 1 340.298 3.837 20 0 EHADMP CCC[N@H+](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000037539000 204310037 /nfs/dbraw/zinc/31/00/37/204310037.db2.gz GTNHVCLABGXBNB-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CCC[N@@H+](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000037539000 204310041 /nfs/dbraw/zinc/31/00/41/204310041.db2.gz GTNHVCLABGXBNB-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000119862973 527542459 /nfs/dbraw/zinc/54/24/59/527542459.db2.gz WOJOUIZWOANILY-UHFFFAOYSA-N 2 1 340.515 3.842 20 0 EHADMP CC[NH+](CC)C1CCN(c2ccc([C@H]3CCCC[N@H+]3CC)cn2)CC1 ZINC001165054433 722007204 /nfs/dbraw/zinc/00/72/04/722007204.db2.gz MKLCQBKPXDREQD-HXUWFJFHSA-N 2 1 344.547 3.939 20 0 EHADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537971702 1032071776 /nfs/dbraw/zinc/07/17/76/1032071776.db2.gz CNPVTCILGXXYIK-DENIHFKCSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537971702 1032071787 /nfs/dbraw/zinc/07/17/87/1032071787.db2.gz CNPVTCILGXXYIK-DENIHFKCSA-N 2 1 338.495 3.874 20 0 EHADMP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000339390840 1014325967 /nfs/dbraw/zinc/32/59/67/1014325967.db2.gz GSXNRCGVWAUFQL-WBVHZDCISA-N 2 1 346.450 3.634 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430149341 1014421761 /nfs/dbraw/zinc/42/17/61/1014421761.db2.gz NBFXEDOQOAZJCK-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430149341 1014421768 /nfs/dbraw/zinc/42/17/68/1014421768.db2.gz NBFXEDOQOAZJCK-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430149341 1014421773 /nfs/dbraw/zinc/42/17/73/1014421773.db2.gz NBFXEDOQOAZJCK-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430149341 1014421776 /nfs/dbraw/zinc/42/17/76/1014421776.db2.gz NBFXEDOQOAZJCK-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ccc1F ZINC000643545844 1014469573 /nfs/dbraw/zinc/46/95/73/1014469573.db2.gz CZLPEQUKYGBQOB-AAEUAGOBSA-N 2 1 341.268 3.914 20 0 EHADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547536 1014512717 /nfs/dbraw/zinc/51/27/17/1014512717.db2.gz GRZCMEQMSHFGRY-APWZRJJASA-N 2 1 336.483 3.514 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000274796968 1015198765 /nfs/dbraw/zinc/19/87/65/1015198765.db2.gz NRZHBYJPKSATCY-UHFFFAOYSA-N 2 1 327.472 3.577 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000274796968 1015198771 /nfs/dbraw/zinc/19/87/71/1015198771.db2.gz NRZHBYJPKSATCY-UHFFFAOYSA-N 2 1 327.472 3.577 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000339682853 1015510652 /nfs/dbraw/zinc/51/06/52/1015510652.db2.gz MAXOMRLPFMEGKD-FUHWJXTLSA-N 2 1 336.545 3.542 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644537 1016132916 /nfs/dbraw/zinc/13/29/16/1016132916.db2.gz CALFKPXLIVFULZ-CJNGLKHVSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000340158797 1016528824 /nfs/dbraw/zinc/52/88/24/1016528824.db2.gz OXIHAKNXRRESNT-UHFFFAOYSA-N 2 1 338.499 3.839 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340176450 1016593227 /nfs/dbraw/zinc/59/32/27/1016593227.db2.gz FFGALXRBFZWYBO-GOSISDBHSA-N 2 1 329.532 3.632 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238100 1016752111 /nfs/dbraw/zinc/75/21/11/1016752111.db2.gz YAANYPHIUDCBJB-LPHOPBHVSA-N 2 1 332.488 3.634 20 0 EHADMP Cc1ccsc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536709406 1032187091 /nfs/dbraw/zinc/18/70/91/1032187091.db2.gz AKWUGOYVHYODDA-CALCHBBNSA-N 2 1 336.545 3.768 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089530 1032191328 /nfs/dbraw/zinc/19/13/28/1032191328.db2.gz KCTYJNOQFRDVQK-IAQYHMDHSA-N 2 1 341.268 3.507 20 0 EHADMP CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183676950 1032193261 /nfs/dbraw/zinc/19/32/61/1032193261.db2.gz IWDKNVREPZDOLL-JKSUJKDBSA-N 2 1 342.487 3.526 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2csc3ccccc23)CC1 ZINC000924656839 1032207156 /nfs/dbraw/zinc/20/71/56/1032207156.db2.gz BZXNGJDAXBETQB-KRWDZBQOSA-N 2 1 345.556 3.970 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3CC(C)(C)C3)CC2)CC1 ZINC000528391821 1032214917 /nfs/dbraw/zinc/21/49/17/1032214917.db2.gz AONFLWSXTCKMQJ-UHFFFAOYSA-N 2 1 335.580 3.551 20 0 EHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CC(C)(C)C1 ZINC000528391821 1032214933 /nfs/dbraw/zinc/21/49/33/1032214933.db2.gz AONFLWSXTCKMQJ-UHFFFAOYSA-N 3 1 335.580 3.551 20 0 EHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CC(C)(C)C1 ZINC000528391821 1032214942 /nfs/dbraw/zinc/21/49/42/1032214942.db2.gz AONFLWSXTCKMQJ-UHFFFAOYSA-N 3 1 335.580 3.551 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)CC[C@@H]3C)CC2)oc1C ZINC000449126627 1032219721 /nfs/dbraw/zinc/21/97/21/1032219721.db2.gz UTKIEBXEMIPEHE-ZRGWGRIASA-N 2 1 333.520 3.918 20 0 EHADMP Clc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000299940142 1032224683 /nfs/dbraw/zinc/22/46/83/1032224683.db2.gz XYYBXXMAHIYJMB-UWVGGRQHSA-N 2 1 349.725 3.880 20 0 EHADMP Clc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000299940142 1032224684 /nfs/dbraw/zinc/22/46/84/1032224684.db2.gz XYYBXXMAHIYJMB-UWVGGRQHSA-N 2 1 349.725 3.880 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccncc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379656026 1032250878 /nfs/dbraw/zinc/25/08/78/1032250878.db2.gz NUBCXYRPYRJWDS-CRAIPNDOSA-N 2 1 329.875 3.878 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CCCC2)o1 ZINC000538292713 1032275392 /nfs/dbraw/zinc/27/53/92/1032275392.db2.gz AJYXARBDBGASTK-SVFBPWRDSA-N 2 1 346.515 3.787 20 0 EHADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449252652 1032358435 /nfs/dbraw/zinc/35/84/35/1032358435.db2.gz RBGMWBFGFPOHEW-UHFFFAOYSA-N 2 1 334.552 3.751 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185098418 1032363500 /nfs/dbraw/zinc/36/35/00/1032363500.db2.gz BKPPCFZBXQSIPO-ZDUSSCGKSA-N 2 1 343.406 3.512 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651982 1032372548 /nfs/dbraw/zinc/37/25/48/1032372548.db2.gz BHTFSZAYDFLPBM-HZPDHXFCSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651982 1032372559 /nfs/dbraw/zinc/37/25/59/1032372559.db2.gz BHTFSZAYDFLPBM-HZPDHXFCSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651982 1032372567 /nfs/dbraw/zinc/37/25/67/1032372567.db2.gz BHTFSZAYDFLPBM-HZPDHXFCSA-N 2 1 348.453 3.542 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000449239927 1032376176 /nfs/dbraw/zinc/37/61/76/1032376176.db2.gz LWVOVPSNIADTFM-ZGJYDULXSA-N 2 1 342.527 3.834 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459722535 1032429056 /nfs/dbraw/zinc/42/90/56/1032429056.db2.gz BRUFHKLTPPOVOD-GFCCVEGCSA-N 2 1 331.287 3.824 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000398007980 1032432114 /nfs/dbraw/zinc/43/21/14/1032432114.db2.gz AABPGAQZBAXRNU-XGRCMKMKSA-N 2 1 335.495 3.756 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000398007980 1032432119 /nfs/dbraw/zinc/43/21/19/1032432119.db2.gz AABPGAQZBAXRNU-XGRCMKMKSA-N 2 1 335.495 3.756 20 0 EHADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2Cl)n1 ZINC000459740584 1032456128 /nfs/dbraw/zinc/45/61/28/1032456128.db2.gz UQKOBEQINVFHBZ-OAHLLOKOSA-N 2 1 346.906 3.562 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000537000018 1032476961 /nfs/dbraw/zinc/47/69/61/1032476961.db2.gz JNKRQVYAHVKYAB-RTBURBONSA-N 2 1 338.923 3.864 20 0 EHADMP CCC[NH+]1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095503 1032509804 /nfs/dbraw/zinc/50/98/04/1032509804.db2.gz AVZWZMRURIUCPR-PZJWPPBQSA-N 3 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000537095503 1032509809 /nfs/dbraw/zinc/50/98/09/1032509809.db2.gz AVZWZMRURIUCPR-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095503 1032509816 /nfs/dbraw/zinc/50/98/16/1032509816.db2.gz AVZWZMRURIUCPR-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000537105175 1032523604 /nfs/dbraw/zinc/52/36/04/1032523604.db2.gz SBTJUTBDNBLXOY-WMZOPIPTSA-N 2 1 336.545 3.950 20 0 EHADMP COCCSc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000537105172 1032523846 /nfs/dbraw/zinc/52/38/46/1032523846.db2.gz SBTJUTBDNBLXOY-AEFFLSMTSA-N 2 1 336.545 3.950 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)cc1Br ZINC000119076943 1032561909 /nfs/dbraw/zinc/56/19/09/1032561909.db2.gz FHECMVOFLUVJAP-CYBMUJFWSA-N 2 1 336.277 3.688 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)cc1Br ZINC000119077060 1032561937 /nfs/dbraw/zinc/56/19/37/1032561937.db2.gz FHECMVOFLUVJAP-ZDUSSCGKSA-N 2 1 336.277 3.688 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090522477 1032583827 /nfs/dbraw/zinc/58/38/27/1032583827.db2.gz VLGCSTLFWILJAW-QEJZJMRPSA-N 2 1 342.936 3.820 20 0 EHADMP C[NH+]1CCC([NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000090772641 1032594305 /nfs/dbraw/zinc/59/43/05/1032594305.db2.gz KDHFIDDVEILASU-UHFFFAOYSA-N 2 1 328.431 3.844 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000537294026 1032600212 /nfs/dbraw/zinc/60/02/12/1032600212.db2.gz RQYPSFQMFWEPBR-CGTJXYLNSA-N 2 1 336.545 3.753 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000537294026 1032600219 /nfs/dbraw/zinc/60/02/19/1032600219.db2.gz RQYPSFQMFWEPBR-CGTJXYLNSA-N 2 1 336.545 3.753 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CC3 ZINC000376823574 1017143636 /nfs/dbraw/zinc/14/36/36/1017143636.db2.gz PXIFMLOMMLCKNF-WSOZGMELSA-N 2 1 325.500 3.652 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892738133 1017279907 /nfs/dbraw/zinc/27/99/07/1017279907.db2.gz RSEHUUZKZVMZAQ-HNNXBMFYSA-N 2 1 333.501 3.609 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892738133 1017279924 /nfs/dbraw/zinc/27/99/24/1017279924.db2.gz RSEHUUZKZVMZAQ-HNNXBMFYSA-N 2 1 333.501 3.609 20 0 EHADMP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449505496 1032689632 /nfs/dbraw/zinc/68/96/32/1032689632.db2.gz ZMCIEIYHOSYUIV-IFMALSPDSA-N 2 1 344.543 3.734 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468557508 1017357866 /nfs/dbraw/zinc/35/78/66/1017357866.db2.gz YYDDVOCYQJAGIZ-MBNYWOFBSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468557508 1017357876 /nfs/dbraw/zinc/35/78/76/1017357876.db2.gz YYDDVOCYQJAGIZ-MBNYWOFBSA-N 2 1 343.284 3.592 20 0 EHADMP Cc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCC2)c1 ZINC000655708084 1017441426 /nfs/dbraw/zinc/44/14/26/1017441426.db2.gz JFGQOIWGWXLABY-OAQYLSRUSA-N 2 1 342.527 3.650 20 0 EHADMP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000449512567 1032699740 /nfs/dbraw/zinc/69/97/40/1032699740.db2.gz PSNKACXXKOBIST-YADHBBJMSA-N 2 1 346.559 3.572 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000655715459 1017445841 /nfs/dbraw/zinc/44/58/41/1017445841.db2.gz KMXTYMXHOPXBNT-NHCUHLMSSA-N 2 1 344.543 3.976 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCCC[NH+]1C ZINC000472683843 1017446763 /nfs/dbraw/zinc/44/67/63/1017446763.db2.gz NWGIMWOFVSNSHT-FQEVSTJZSA-N 2 1 340.515 3.816 20 0 EHADMP C[NH+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCCC[N@@H+]1C ZINC000472683843 1017446775 /nfs/dbraw/zinc/44/67/75/1017446775.db2.gz NWGIMWOFVSNSHT-FQEVSTJZSA-N 2 1 340.515 3.816 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415036685 1017453025 /nfs/dbraw/zinc/45/30/25/1017453025.db2.gz GAHUYLIKFJOKRO-RBUKOAKNSA-N 2 1 346.515 3.838 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415056223 1017482017 /nfs/dbraw/zinc/48/20/17/1017482017.db2.gz RYIBRPAYDKXSPT-RXVVDRJESA-N 2 1 339.458 3.852 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Br)c1 ZINC000415063316 1017491149 /nfs/dbraw/zinc/49/11/49/1017491149.db2.gz HVHREYFYTNWHPI-LRDDRELGSA-N 2 1 325.294 3.660 20 0 EHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071926 1017513674 /nfs/dbraw/zinc/51/36/74/1017513674.db2.gz XBNOUZWKMFJHJS-MEDUHNTESA-N 2 1 343.284 3.626 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000415111094 1017560995 /nfs/dbraw/zinc/56/09/95/1017560995.db2.gz BRRXKQDKWOKTMQ-GUDVDZBRSA-N 3 1 329.532 3.539 20 0 EHADMP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655788476 1017605560 /nfs/dbraw/zinc/60/55/60/1017605560.db2.gz JOZZNOYBESUTRK-AGOPTVSRSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000275604940 1017612551 /nfs/dbraw/zinc/61/25/51/1017612551.db2.gz QQNBYSFOIKSTJK-QWHCGFSZSA-N 2 1 339.361 3.695 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835290 1017726125 /nfs/dbraw/zinc/72/61/25/1017726125.db2.gz WXVSBMIEHWTJPD-RXVVDRJESA-N 2 1 335.495 3.799 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835290 1017726138 /nfs/dbraw/zinc/72/61/38/1017726138.db2.gz WXVSBMIEHWTJPD-RXVVDRJESA-N 2 1 335.495 3.799 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849709 1017769422 /nfs/dbraw/zinc/76/94/22/1017769422.db2.gz YGBMFZBHIOAIIN-AYWYSENESA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655849709 1017769434 /nfs/dbraw/zinc/76/94/34/1017769434.db2.gz YGBMFZBHIOAIIN-AYWYSENESA-N 2 1 333.564 3.636 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000659843385 1017772552 /nfs/dbraw/zinc/77/25/52/1017772552.db2.gz SZKJCHQORXPVDY-UHFFFAOYSA-N 2 1 344.421 3.981 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000655940512 1017968089 /nfs/dbraw/zinc/96/80/89/1017968089.db2.gz SVVWBANYJMDORJ-HFSMHLIXSA-N 2 1 346.515 3.537 20 0 EHADMP CN(Cc1cn(C)nc1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377624014 1018086458 /nfs/dbraw/zinc/08/64/58/1018086458.db2.gz KCZYKKKBCKCMKL-DFNIBXOVSA-N 2 1 330.520 3.525 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839845 1018459217 /nfs/dbraw/zinc/45/92/17/1018459217.db2.gz MYMQPCUYARMTGD-SWLSCSKDSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839845 1018459222 /nfs/dbraw/zinc/45/92/22/1018459222.db2.gz MYMQPCUYARMTGD-SWLSCSKDSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839845 1018459229 /nfs/dbraw/zinc/45/92/29/1018459229.db2.gz MYMQPCUYARMTGD-SWLSCSKDSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839845 1018459234 /nfs/dbraw/zinc/45/92/34/1018459234.db2.gz MYMQPCUYARMTGD-SWLSCSKDSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839845 1018459242 /nfs/dbraw/zinc/45/92/42/1018459242.db2.gz MYMQPCUYARMTGD-SWLSCSKDSA-N 2 1 330.444 3.652 20 0 EHADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000580106768 1018652596 /nfs/dbraw/zinc/65/25/96/1018652596.db2.gz MYYLVZNXEITABX-WFASDCNBSA-N 2 1 326.506 3.552 20 0 EHADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000580184514 1018756981 /nfs/dbraw/zinc/75/69/81/1018756981.db2.gz GAUPEUGHRZKKPK-JLMIFGBASA-N 2 1 330.516 3.570 20 0 EHADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000580184514 1018756993 /nfs/dbraw/zinc/75/69/93/1018756993.db2.gz GAUPEUGHRZKKPK-JLMIFGBASA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191795 1018770385 /nfs/dbraw/zinc/77/03/85/1018770385.db2.gz ZWRPRIZQZGJZQU-RTWAWAEBSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191795 1018770403 /nfs/dbraw/zinc/77/04/03/1018770403.db2.gz ZWRPRIZQZGJZQU-RTWAWAEBSA-N 2 1 344.543 3.960 20 0 EHADMP C/C(=C/c1ccccc1)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000255290289 1018888391 /nfs/dbraw/zinc/88/83/91/1018888391.db2.gz HQUPWONHKIUPQH-HMXADCFRSA-N 2 1 341.543 3.580 20 0 EHADMP C/C(=C/c1ccccc1)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000255290289 1018888402 /nfs/dbraw/zinc/88/84/02/1018888402.db2.gz HQUPWONHKIUPQH-HMXADCFRSA-N 2 1 341.543 3.580 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933178 1019164215 /nfs/dbraw/zinc/16/42/15/1019164215.db2.gz BOBWWEIZNNBGMY-MLHJIOFPSA-N 2 1 346.540 3.602 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639343497 1019219642 /nfs/dbraw/zinc/21/96/42/1019219642.db2.gz JSSWPAZWUCFCIS-CUWPLCDZSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639343497 1019219648 /nfs/dbraw/zinc/21/96/48/1019219648.db2.gz JSSWPAZWUCFCIS-CUWPLCDZSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000729266601 1019255526 /nfs/dbraw/zinc/25/55/26/1019255526.db2.gz PQGWSJOFOCTOOV-OXQOHEQNSA-N 2 1 348.450 3.700 20 0 EHADMP c1c2ccccc2[nH]c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000683927138 1019292233 /nfs/dbraw/zinc/29/22/33/1019292233.db2.gz LJIWYLXUFIZPQV-LJQANCHMSA-N 2 1 333.479 3.822 20 0 EHADMP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513166157 1019304192 /nfs/dbraw/zinc/30/41/92/1019304192.db2.gz KASSBOZZENCFAJ-XYPWUTKMSA-N 2 1 343.298 3.929 20 0 EHADMP C[NH+](CCOc1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513166157 1019304206 /nfs/dbraw/zinc/30/42/06/1019304206.db2.gz KASSBOZZENCFAJ-XYPWUTKMSA-N 2 1 343.298 3.929 20 0 EHADMP C[NH+](CCOc1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513166157 1019304219 /nfs/dbraw/zinc/30/42/19/1019304219.db2.gz KASSBOZZENCFAJ-XYPWUTKMSA-N 2 1 343.298 3.929 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000261785144 1019462740 /nfs/dbraw/zinc/46/27/40/1019462740.db2.gz PPEGAEJBVFFCKW-QFBILLFUSA-N 2 1 343.515 3.907 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(C)C ZINC000155827266 1019912917 /nfs/dbraw/zinc/91/29/17/1019912917.db2.gz DQQIRFUQYGLIAD-QGZVFWFLSA-N 2 1 347.503 3.803 20 0 EHADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398199848 1019945286 /nfs/dbraw/zinc/94/52/86/1019945286.db2.gz PFBJRNMDBOTMDN-PGRDOPGGSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001167442281 1020351473 /nfs/dbraw/zinc/35/14/73/1020351473.db2.gz CCGJQACBBKLPQG-CTNGQTDRSA-N 2 1 330.516 3.790 20 0 EHADMP CC1(C[N@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475872 1020471343 /nfs/dbraw/zinc/47/13/43/1020471343.db2.gz BSUCMQXLTKONQO-NRFANRHFSA-N 2 1 334.548 3.924 20 0 EHADMP CC1(C[NH+]2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475872 1020471347 /nfs/dbraw/zinc/47/13/47/1020471347.db2.gz BSUCMQXLTKONQO-NRFANRHFSA-N 2 1 334.548 3.924 20 0 EHADMP CC1(C[NH+]2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475872 1020471352 /nfs/dbraw/zinc/47/13/52/1020471352.db2.gz BSUCMQXLTKONQO-NRFANRHFSA-N 2 1 334.548 3.924 20 0 EHADMP COc1cccc([C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501046091 1020665167 /nfs/dbraw/zinc/66/51/67/1020665167.db2.gz LDVJEYRKCDYRLV-KRWDZBQOSA-N 2 1 339.483 4.000 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600310 1021136643 /nfs/dbraw/zinc/13/66/43/1021136643.db2.gz KCHPNGCLURJWEL-HOCLYGCPSA-N 2 1 328.422 3.956 20 0 EHADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000638608149 1021337220 /nfs/dbraw/zinc/33/72/20/1021337220.db2.gz AZHWAXUHXOWDKU-UHFFFAOYSA-N 2 1 330.501 3.512 20 0 EHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414999242 1021468633 /nfs/dbraw/zinc/46/86/33/1021468633.db2.gz JWHJSHMZKABKFO-KBMXLJTQSA-N 2 1 328.834 3.811 20 0 EHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441195539 1022046837 /nfs/dbraw/zinc/04/68/37/1022046837.db2.gz KZZODBMSEHDMQB-VLCRHTCISA-N 2 1 338.495 3.832 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000276662073 1022061479 /nfs/dbraw/zinc/06/14/79/1022061479.db2.gz QZAVOAMEAVQPDY-MAKTXDPSSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000276662073 1022061489 /nfs/dbraw/zinc/06/14/89/1022061489.db2.gz QZAVOAMEAVQPDY-MAKTXDPSSA-N 2 1 330.516 3.834 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471761962 1022069559 /nfs/dbraw/zinc/06/95/59/1022069559.db2.gz SJCKDUZJRKRTBK-IRXDYDNUSA-N 2 1 337.389 3.907 20 0 EHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070658 1022095704 /nfs/dbraw/zinc/09/57/04/1022095704.db2.gz JRAUYMIBBVALAZ-LBPRGKRZSA-N 2 1 331.287 3.884 20 0 EHADMP Cc1cnc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000517233402 1022155302 /nfs/dbraw/zinc/15/53/02/1022155302.db2.gz OUMQIKQQPZPGEN-UHFFFAOYSA-N 2 1 338.499 3.653 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(C3CC3)cc2F)[C@@H](C)C1 ZINC000425914821 1022192776 /nfs/dbraw/zinc/19/27/76/1022192776.db2.gz CISUMMOBPWGQEK-KKSFZXQISA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@@H](C)C1 ZINC000425914821 1022192783 /nfs/dbraw/zinc/19/27/83/1022192783.db2.gz CISUMMOBPWGQEK-KKSFZXQISA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@@H](C)C1 ZINC000425914821 1022192793 /nfs/dbraw/zinc/19/27/93/1022192793.db2.gz CISUMMOBPWGQEK-KKSFZXQISA-N 2 1 348.506 3.930 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187766336 1022237129 /nfs/dbraw/zinc/23/71/29/1022237129.db2.gz NPPBSLJWSUWFHW-VXKWHMMOSA-N 2 1 343.559 3.504 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000425948709 1022384800 /nfs/dbraw/zinc/38/48/00/1022384800.db2.gz DUUSYSZYTUBJLD-HKUYNNGSSA-N 2 1 330.516 3.797 20 0 EHADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438210537 1022471154 /nfs/dbraw/zinc/47/11/54/1022471154.db2.gz JBDHAHAOMUQFOF-AZUAARDMSA-N 2 1 340.486 3.911 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CCCO2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837147 1022700125 /nfs/dbraw/zinc/70/01/25/1022700125.db2.gz GBBNRHSYVVHPHS-SFTDATJTSA-N 2 1 342.527 3.788 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639356 1022748236 /nfs/dbraw/zinc/74/82/36/1022748236.db2.gz OWROAHPUOSIGSI-IAGOWNOFSA-N 2 1 344.421 3.593 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414934643 1022771926 /nfs/dbraw/zinc/77/19/26/1022771926.db2.gz FJERMYSZXNWDOE-CZUORRHYSA-N 2 1 340.895 3.615 20 0 EHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)cc1 ZINC000430930199 1022889817 /nfs/dbraw/zinc/88/98/17/1022889817.db2.gz XGGDBCLZZDFEMQ-AWEZNQCLSA-N 2 1 330.501 3.754 20 0 EHADMP Clc1sc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000430935930 1022906904 /nfs/dbraw/zinc/90/69/04/1022906904.db2.gz RVRACBHQSGQARI-UHFFFAOYSA-N 2 1 349.725 3.740 20 0 EHADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000520467141 1023008069 /nfs/dbraw/zinc/00/80/69/1023008069.db2.gz DBZUJYQUTHFWRL-LEWJYISDSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000520467141 1023008083 /nfs/dbraw/zinc/00/80/83/1023008083.db2.gz DBZUJYQUTHFWRL-LEWJYISDSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000520467141 1023008096 /nfs/dbraw/zinc/00/80/96/1023008096.db2.gz DBZUJYQUTHFWRL-LEWJYISDSA-N 2 1 346.478 3.517 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268743 1023178313 /nfs/dbraw/zinc/17/83/13/1023178313.db2.gz WBHKFUUAIDNCBM-QZFKAFNDSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268743 1023178316 /nfs/dbraw/zinc/17/83/16/1023178316.db2.gz WBHKFUUAIDNCBM-QZFKAFNDSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268743 1023178319 /nfs/dbraw/zinc/17/83/19/1023178319.db2.gz WBHKFUUAIDNCBM-QZFKAFNDSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268743 1023178326 /nfs/dbraw/zinc/17/83/26/1023178326.db2.gz WBHKFUUAIDNCBM-QZFKAFNDSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000518268743 1023178329 /nfs/dbraw/zinc/17/83/29/1023178329.db2.gz WBHKFUUAIDNCBM-QZFKAFNDSA-N 2 1 338.442 3.965 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)n1 ZINC000431078920 1023233045 /nfs/dbraw/zinc/23/30/45/1023233045.db2.gz HRNBPQOQYRLHAR-KRWDZBQOSA-N 2 1 336.439 3.754 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000414978548 1023236901 /nfs/dbraw/zinc/23/69/01/1023236901.db2.gz MJQBDYMSHLANCK-UHFFFAOYSA-N 2 1 349.522 3.841 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCS[C@@H](C)CC2)CC1 ZINC000426386745 1023256574 /nfs/dbraw/zinc/25/65/74/1023256574.db2.gz ZKMSNPITONDAAZ-SFHVURJKSA-N 2 1 347.572 3.546 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)cc1 ZINC000897748694 1033148059 /nfs/dbraw/zinc/14/80/59/1033148059.db2.gz AJZHIXGEZLYDNP-IHWFROFDSA-N 2 1 348.531 3.849 20 0 EHADMP COc1cc2ccc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875938 1033156362 /nfs/dbraw/zinc/15/63/62/1033156362.db2.gz JTSBVGYTCISFNQ-HZPDHXFCSA-N 2 1 342.483 3.849 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000277116925 1023775257 /nfs/dbraw/zinc/77/52/57/1023775257.db2.gz HMMBAAUDTVTTCB-LJQANCHMSA-N 2 1 348.494 3.917 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000277116925 1023775262 /nfs/dbraw/zinc/77/52/62/1023775262.db2.gz HMMBAAUDTVTTCB-LJQANCHMSA-N 2 1 348.494 3.917 20 0 EHADMP COC1(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000277126720 1023806802 /nfs/dbraw/zinc/80/68/02/1023806802.db2.gz IFBQPWPYNPLIDN-SFHVURJKSA-N 2 1 330.516 3.631 20 0 EHADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082365 1023890529 /nfs/dbraw/zinc/89/05/29/1023890529.db2.gz INWFDVPYXSZLJZ-BHYGNILZSA-N 2 1 345.874 3.863 20 0 EHADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082365 1023890537 /nfs/dbraw/zinc/89/05/37/1023890537.db2.gz INWFDVPYXSZLJZ-BHYGNILZSA-N 2 1 345.874 3.863 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)CCCC2)CC1 ZINC000657879302 1033170854 /nfs/dbraw/zinc/17/08/54/1033170854.db2.gz ITPIDYQFPMCTPW-CEXWTWQISA-N 2 1 334.548 3.824 20 0 EHADMP Brc1sccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000388971636 1024040926 /nfs/dbraw/zinc/04/09/26/1024040926.db2.gz YCRZQMLEANXDOL-UHFFFAOYSA-N 2 1 343.334 3.818 20 0 EHADMP COCCOc1ccc(CNC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414847083 1024141260 /nfs/dbraw/zinc/14/12/60/1024141260.db2.gz OAIDBTUDERSWPE-OAQYLSRUSA-N 2 1 342.483 3.625 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]21 ZINC000342129179 1024197487 /nfs/dbraw/zinc/19/74/87/1024197487.db2.gz NHJXBKDUICCTGN-XGWLTEMNSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]21 ZINC000342129179 1024197493 /nfs/dbraw/zinc/19/74/93/1024197493.db2.gz NHJXBKDUICCTGN-XGWLTEMNSA-N 2 1 331.460 3.508 20 0 EHADMP CCc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)on1 ZINC001203218518 1024314755 /nfs/dbraw/zinc/31/47/55/1024314755.db2.gz LYHCMFUYLPGUBN-LJQANCHMSA-N 2 1 343.471 3.707 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024247 1024320031 /nfs/dbraw/zinc/32/00/31/1024320031.db2.gz CUZMMQGVXMRKFA-CEQLMSFQSA-N 3 1 331.548 3.927 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001168024247 1024320049 /nfs/dbraw/zinc/32/00/49/1024320049.db2.gz CUZMMQGVXMRKFA-CEQLMSFQSA-N 2 1 331.548 3.927 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000063319776 1024337053 /nfs/dbraw/zinc/33/70/53/1024337053.db2.gz HAUMROAWHLNMDI-UHFFFAOYSA-N 2 1 342.487 3.722 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCCC(C)C ZINC000622854174 1024371409 /nfs/dbraw/zinc/37/14/09/1024371409.db2.gz VTFXUYVGCBRUNS-MOPGFXCFSA-N 2 1 346.515 3.837 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCCC(C)C ZINC000622854174 1024371425 /nfs/dbraw/zinc/37/14/25/1024371425.db2.gz VTFXUYVGCBRUNS-MOPGFXCFSA-N 2 1 346.515 3.837 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000346275371 1024565742 /nfs/dbraw/zinc/56/57/42/1024565742.db2.gz JUEUOVSDBCLEDZ-UHFFFAOYSA-N 2 1 325.456 3.571 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000346275371 1024565748 /nfs/dbraw/zinc/56/57/48/1024565748.db2.gz JUEUOVSDBCLEDZ-UHFFFAOYSA-N 2 1 325.456 3.571 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008814 1024629990 /nfs/dbraw/zinc/62/99/90/1024629990.db2.gz FZRKNTLJHSZNMG-KOUHRCEDSA-N 2 1 330.516 3.977 20 0 EHADMP COc1ccc(CC[N@H+](CCn2cc[nH+]c2C)Cc2ccccc2)cc1 ZINC000346315576 1024640477 /nfs/dbraw/zinc/64/04/77/1024640477.db2.gz TYIMTKFNACAEHL-UHFFFAOYSA-N 2 1 349.478 3.945 20 0 EHADMP COc1ccc(CC[N@@H+](CCn2cc[nH+]c2C)Cc2ccccc2)cc1 ZINC000346315576 1024640483 /nfs/dbraw/zinc/64/04/83/1024640483.db2.gz TYIMTKFNACAEHL-UHFFFAOYSA-N 2 1 349.478 3.945 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000435132727 1024644183 /nfs/dbraw/zinc/64/41/83/1024644183.db2.gz KZUMYGLSHOZNMK-QGZVFWFLSA-N 2 1 342.487 3.614 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000435132727 1024644195 /nfs/dbraw/zinc/64/41/95/1024644195.db2.gz KZUMYGLSHOZNMK-QGZVFWFLSA-N 2 1 342.487 3.614 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000657293714 1024658750 /nfs/dbraw/zinc/65/87/50/1024658750.db2.gz UHZXPYHVLONQIG-CYBMUJFWSA-N 2 1 340.309 3.507 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000657293714 1024658757 /nfs/dbraw/zinc/65/87/57/1024658757.db2.gz UHZXPYHVLONQIG-CYBMUJFWSA-N 2 1 340.309 3.507 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000665232747 1024690807 /nfs/dbraw/zinc/69/08/07/1024690807.db2.gz SQYSQYLYOICZGB-ILWGZMRPSA-N 2 1 335.495 3.659 20 0 EHADMP CCC[N@H+](CCC(C)(C)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000346409215 1024698345 /nfs/dbraw/zinc/69/83/45/1024698345.db2.gz HGLYTZFXOZGUNU-UHFFFAOYSA-N 2 1 348.535 3.589 20 0 EHADMP CCC[N@@H+](CCC(C)(C)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000346409215 1024698349 /nfs/dbraw/zinc/69/83/49/1024698349.db2.gz HGLYTZFXOZGUNU-UHFFFAOYSA-N 2 1 348.535 3.589 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000895683935 1024733033 /nfs/dbraw/zinc/73/30/33/1024733033.db2.gz YKEARPUWUUYBAJ-HXUWFJFHSA-N 2 1 329.532 3.711 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+]1C ZINC000427691195 1024736485 /nfs/dbraw/zinc/73/64/85/1024736485.db2.gz SXLLMOFSEYZVIQ-AXAPSJFSSA-N 2 1 327.394 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+]1C ZINC000427691195 1024736497 /nfs/dbraw/zinc/73/64/97/1024736497.db2.gz SXLLMOFSEYZVIQ-AXAPSJFSSA-N 2 1 327.394 3.550 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@@H+]1C ZINC000157181698 1024786771 /nfs/dbraw/zinc/78/67/71/1024786771.db2.gz SIMUFWMKXMGITR-MJGOQNOKSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@H+]1C ZINC000157181698 1024786782 /nfs/dbraw/zinc/78/67/82/1024786782.db2.gz SIMUFWMKXMGITR-MJGOQNOKSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181698 1024786790 /nfs/dbraw/zinc/78/67/90/1024786790.db2.gz SIMUFWMKXMGITR-MJGOQNOKSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181698 1024786806 /nfs/dbraw/zinc/78/68/06/1024786806.db2.gz SIMUFWMKXMGITR-MJGOQNOKSA-N 2 1 348.494 3.916 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657308259 1024907949 /nfs/dbraw/zinc/90/79/49/1024907949.db2.gz PLYGQROYVVRBKW-UHFFFAOYSA-N 2 1 340.515 3.818 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2SC)[C@H](C)C1 ZINC000346605854 1024945867 /nfs/dbraw/zinc/94/58/67/1024945867.db2.gz JAYCFYGEATUPJO-SJLPKXTDSA-N 2 1 336.545 3.635 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2SC)[C@H](C)C1 ZINC000346605854 1024945876 /nfs/dbraw/zinc/94/58/76/1024945876.db2.gz JAYCFYGEATUPJO-SJLPKXTDSA-N 2 1 336.545 3.635 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011487 1024981540 /nfs/dbraw/zinc/98/15/40/1024981540.db2.gz OSYHKXSGZNFSTJ-RMFSNUHRSA-N 2 1 338.495 3.966 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168011689 1025001719 /nfs/dbraw/zinc/00/17/19/1025001719.db2.gz QZNKQUDFURIVTQ-HZPDHXFCSA-N 2 1 340.515 3.568 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2ccncc2)cc1 ZINC000281409677 1025011751 /nfs/dbraw/zinc/01/17/51/1025011751.db2.gz YEBICMHMXSJVRH-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2ccncc2)cc1 ZINC000281409677 1025011764 /nfs/dbraw/zinc/01/17/64/1025011764.db2.gz YEBICMHMXSJVRH-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP CCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000284161239 1025056436 /nfs/dbraw/zinc/05/64/36/1025056436.db2.gz DYMOBXHOXRMEMK-KRWDZBQOSA-N 2 1 334.504 3.627 20 0 EHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1OC ZINC000474490882 1025060531 /nfs/dbraw/zinc/06/05/31/1025060531.db2.gz PHUOWTVQOOTZEA-HOTGVXAUSA-N 2 1 334.504 3.660 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(O)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012229 1025112747 /nfs/dbraw/zinc/11/27/47/1025112747.db2.gz YKHWKXCDKVVZHM-RMFSNUHRSA-N 2 1 338.495 3.966 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012621 1025128182 /nfs/dbraw/zinc/12/81/82/1025128182.db2.gz DFDSKSDKHRNKMA-OPVJXMOQSA-N 2 1 346.515 3.751 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966526 1033261613 /nfs/dbraw/zinc/26/16/13/1033261613.db2.gz DHKZVOXGQHJLHO-WIYYLYMNSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966526 1033261625 /nfs/dbraw/zinc/26/16/25/1033261625.db2.gz DHKZVOXGQHJLHO-WIYYLYMNSA-N 2 1 335.495 3.799 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435778105 1025143278 /nfs/dbraw/zinc/14/32/78/1025143278.db2.gz LEKYDYWIQJRARH-LJQANCHMSA-N 2 1 338.499 3.671 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435778105 1025143293 /nfs/dbraw/zinc/14/32/93/1025143293.db2.gz LEKYDYWIQJRARH-LJQANCHMSA-N 2 1 338.499 3.671 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc4ccccc43)C2)CC1 ZINC000522708571 1025160213 /nfs/dbraw/zinc/16/02/13/1025160213.db2.gz DHJWBMWFLFDPDQ-UYAOXDASSA-N 2 1 337.511 3.613 20 0 EHADMP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000515304380 1025165084 /nfs/dbraw/zinc/16/50/84/1025165084.db2.gz XSWLBUDXXLIWNI-IYBDPMFKSA-N 2 1 342.512 3.627 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897967001 1033264443 /nfs/dbraw/zinc/26/44/43/1033264443.db2.gz IUNDSWFFBXUENL-ZNLUXHQJSA-N 2 1 335.495 3.970 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897967001 1033264457 /nfs/dbraw/zinc/26/44/57/1033264457.db2.gz IUNDSWFFBXUENL-ZNLUXHQJSA-N 2 1 335.495 3.970 20 0 EHADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000897996347 1033265683 /nfs/dbraw/zinc/26/56/83/1033265683.db2.gz ZZYNIASYORDLOF-AZUAARDMSA-N 2 1 345.531 3.710 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(O)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168039308 1025224555 /nfs/dbraw/zinc/22/45/55/1025224555.db2.gz CVWIZAHJLPJVER-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039308 1025224560 /nfs/dbraw/zinc/22/45/60/1025224560.db2.gz CVWIZAHJLPJVER-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039308 1025224568 /nfs/dbraw/zinc/22/45/68/1025224568.db2.gz CVWIZAHJLPJVER-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039308 1025224574 /nfs/dbraw/zinc/22/45/74/1025224574.db2.gz CVWIZAHJLPJVER-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039308 1025224579 /nfs/dbraw/zinc/22/45/79/1025224579.db2.gz CVWIZAHJLPJVER-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC(CC[NH+](C)C)CC2)c2ccccn21 ZINC000563252136 1025313831 /nfs/dbraw/zinc/31/38/31/1025313831.db2.gz ASOTVERMUXBCGA-UHFFFAOYSA-N 2 1 328.504 3.621 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c3ccccc23)cc1F ZINC000346935912 1025328713 /nfs/dbraw/zinc/32/87/13/1025328713.db2.gz JXEVZYFUIZFRHQ-UHFFFAOYSA-N 2 1 332.382 3.902 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@@H]1C ZINC000346948732 1025342453 /nfs/dbraw/zinc/34/24/53/1025342453.db2.gz FHENYTOPTGBNCR-MAUKXSAKSA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@@H]1C ZINC000346948732 1025342466 /nfs/dbraw/zinc/34/24/66/1025342466.db2.gz FHENYTOPTGBNCR-MAUKXSAKSA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@@H]1C ZINC000346948732 1025342477 /nfs/dbraw/zinc/34/24/77/1025342477.db2.gz FHENYTOPTGBNCR-MAUKXSAKSA-N 2 1 332.488 3.636 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347035954 1025420157 /nfs/dbraw/zinc/42/01/57/1025420157.db2.gz DRWJXSJAIWCOAO-QGZVFWFLSA-N 2 1 328.431 3.575 20 0 EHADMP CC[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000582151390 1025453602 /nfs/dbraw/zinc/45/36/02/1025453602.db2.gz WCWGHWQPQKRYPD-FQEVSTJZSA-N 2 1 339.483 3.597 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H](C)C1 ZINC000442784377 1025475297 /nfs/dbraw/zinc/47/52/97/1025475297.db2.gz VTTMQTCIRYYAOK-ZGRYLRDCSA-N 2 1 332.479 3.537 20 0 EHADMP CCCOc1ccc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1OCC ZINC000347090096 1025486930 /nfs/dbraw/zinc/48/69/30/1025486930.db2.gz DVZMNORNDZVVMY-UHFFFAOYSA-N 2 1 334.504 3.838 20 0 EHADMP Cc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000347124192 1025542145 /nfs/dbraw/zinc/54/21/45/1025542145.db2.gz FMQAWFVAQAEREX-IHWFROFDSA-N 2 1 341.524 3.779 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cn1 ZINC000436289681 1025552331 /nfs/dbraw/zinc/55/23/31/1025552331.db2.gz NIIVMHFRNRTQTI-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OCCC(C)C ZINC000442918252 1025583243 /nfs/dbraw/zinc/58/32/43/1025583243.db2.gz CFRNZGNGVQHTLS-QGZVFWFLSA-N 2 1 334.504 3.681 20 0 EHADMP CCO[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050777 1025624827 /nfs/dbraw/zinc/62/48/27/1025624827.db2.gz CTEOQHZVRXYWBV-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP CCO[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050777 1025624840 /nfs/dbraw/zinc/62/48/40/1025624840.db2.gz CTEOQHZVRXYWBV-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC001168127868 1025629207 /nfs/dbraw/zinc/62/92/07/1025629207.db2.gz JKGAVDLEZGJTAR-ICSRJNTNSA-N 2 1 328.500 3.542 20 0 EHADMP CSC[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](CSC)C2)C1 ZINC000521742232 1025645623 /nfs/dbraw/zinc/64/56/23/1025645623.db2.gz IVCYRMHPHLMJMH-QZTJIDSGSA-N 2 1 344.634 3.917 20 0 EHADMP COC/C(C)=C\C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167558101 1025673635 /nfs/dbraw/zinc/67/36/35/1025673635.db2.gz GLJDJDKDNJCOHG-YOGOOIESSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C\C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167558101 1025673643 /nfs/dbraw/zinc/67/36/43/1025673643.db2.gz GLJDJDKDNJCOHG-YOGOOIESSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C\C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167558101 1025673653 /nfs/dbraw/zinc/67/36/53/1025673653.db2.gz GLJDJDKDNJCOHG-YOGOOIESSA-N 2 1 328.500 3.567 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425534145 1025681042 /nfs/dbraw/zinc/68/10/42/1025681042.db2.gz BCCIQKWHOHPDJS-NRFANRHFSA-N 2 1 343.559 3.876 20 0 EHADMP CC(C)n1nccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880515 1025736247 /nfs/dbraw/zinc/73/62/47/1025736247.db2.gz TYFKMPDJPGZAQT-AZUAARDMSA-N 2 1 340.515 3.854 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000474876596 1025750305 /nfs/dbraw/zinc/75/03/05/1025750305.db2.gz IIJHAYCBPXODSF-PKOBYXMFSA-N 2 1 330.520 3.867 20 0 EHADMP CC[N@H+](C1CCOCC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168051030 1025754807 /nfs/dbraw/zinc/75/48/07/1025754807.db2.gz FJSZNOCKWIHTBL-ROUUACIJSA-N 2 1 330.516 3.929 20 0 EHADMP CC[N@@H+](C1CCOCC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168051030 1025754825 /nfs/dbraw/zinc/75/48/25/1025754825.db2.gz FJSZNOCKWIHTBL-ROUUACIJSA-N 2 1 330.516 3.929 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1F ZINC000281949169 1025768069 /nfs/dbraw/zinc/76/80/69/1025768069.db2.gz ALKMQRCPHSYZLD-IBGZPJMESA-N 2 1 343.446 3.759 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000281955083 1025779335 /nfs/dbraw/zinc/77/93/35/1025779335.db2.gz ARUBBJMMOQRLSO-RXVVDRJESA-N 2 1 330.516 3.754 20 0 EHADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407391 1025781695 /nfs/dbraw/zinc/78/16/95/1025781695.db2.gz WUGPKIDBJATZFG-CHYADLBTSA-N 2 1 327.472 3.528 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000281965711 1025806211 /nfs/dbraw/zinc/80/62/11/1025806211.db2.gz NJXZYQBDWPBBFP-IBGZPJMESA-N 2 1 345.490 3.889 20 0 EHADMP CCCn1nccc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657416570 1026141479 /nfs/dbraw/zinc/14/14/79/1026141479.db2.gz VIXSLANKCXYXBI-ICSRJNTNSA-N 2 1 340.515 3.683 20 0 EHADMP C[C@H](CC[NH2+][C@H](C)c1cccc(CO)c1)[N@@H+](C)Cc1ccccc1 ZINC000122069440 1026173874 /nfs/dbraw/zinc/17/38/74/1026173874.db2.gz MRFSYUUPNBIFFK-QZTJIDSGSA-N 2 1 326.484 3.740 20 0 EHADMP CSc1ccccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000511117929 1026181282 /nfs/dbraw/zinc/18/12/82/1026181282.db2.gz ZYKRBLZCMVWZEJ-CALCHBBNSA-N 2 1 348.556 3.730 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000530666315 1026183762 /nfs/dbraw/zinc/18/37/62/1026183762.db2.gz CVNWSIJDWPDVEK-UHFFFAOYSA-N 2 1 344.421 3.890 20 0 EHADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277103 1026347778 /nfs/dbraw/zinc/34/77/78/1026347778.db2.gz PCWIGQKWYDFMNW-VLCRHTCISA-N 2 1 338.495 3.874 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)ccc1OC ZINC000840815245 1026377634 /nfs/dbraw/zinc/37/76/34/1026377634.db2.gz CPKLRIUNMMMKSJ-CVEARBPZSA-N 2 1 344.503 3.682 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000122363863 1026421164 /nfs/dbraw/zinc/42/11/64/1026421164.db2.gz AYBUAGWVJFOENK-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000122363863 1026421168 /nfs/dbraw/zinc/42/11/68/1026421168.db2.gz AYBUAGWVJFOENK-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000475285690 1026441508 /nfs/dbraw/zinc/44/15/08/1026441508.db2.gz MNOALENMACWOMD-QUCCMNQESA-N 2 1 340.515 3.507 20 0 EHADMP c1cc2cccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC000475343228 1026495784 /nfs/dbraw/zinc/49/57/84/1026495784.db2.gz QYPIKNKNBDUEAM-OYRHEFFESA-N 2 1 331.463 3.732 20 0 EHADMP c1cc2cccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC000475343228 1026495790 /nfs/dbraw/zinc/49/57/90/1026495790.db2.gz QYPIKNKNBDUEAM-OYRHEFFESA-N 2 1 331.463 3.732 20 0 EHADMP c1cc2cccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC000475343228 1026495800 /nfs/dbraw/zinc/49/58/00/1026495800.db2.gz QYPIKNKNBDUEAM-OYRHEFFESA-N 2 1 331.463 3.732 20 0 EHADMP COCc1csc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657452491 1026520446 /nfs/dbraw/zinc/52/04/46/1026520446.db2.gz GBVXPVWDKUUCDU-QGZVFWFLSA-N 2 1 330.497 3.506 20 0 EHADMP C[C@H]1CC(N2CCC[N@H+]3CCC[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062401 1026523771 /nfs/dbraw/zinc/52/37/71/1026523771.db2.gz KNZKOVLIOMNAQW-ZJOUEHCJSA-N 2 1 341.543 3.598 20 0 EHADMP c1ccc(SC2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655711425 1026569376 /nfs/dbraw/zinc/56/93/76/1026569376.db2.gz ISQDHRWHRZGAIR-SFHVURJKSA-N 2 1 346.540 3.544 20 0 EHADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000182665787 1026575525 /nfs/dbraw/zinc/57/55/25/1026575525.db2.gz UJXVYIXSQPRUET-IRXDYDNUSA-N 2 1 346.515 3.922 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000192918178 1026639420 /nfs/dbraw/zinc/63/94/20/1026639420.db2.gz XISJWUXASDIIPQ-NRFANRHFSA-N 2 1 349.522 3.767 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192920978 1026639572 /nfs/dbraw/zinc/63/95/72/1026639572.db2.gz DBEPZWHVYNYVNC-RXVVDRJESA-N 2 1 338.495 3.738 20 0 EHADMP CN(C)c1[nH+]ccc2cc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000452351051 1026686163 /nfs/dbraw/zinc/68/61/63/1026686163.db2.gz DSAOIAUARBVGHM-KRWDZBQOSA-N 2 1 340.471 3.504 20 0 EHADMP CN(C)c1[nH+]ccc2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000452351051 1026686170 /nfs/dbraw/zinc/68/61/70/1026686170.db2.gz DSAOIAUARBVGHM-KRWDZBQOSA-N 2 1 340.471 3.504 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193507027 1026890964 /nfs/dbraw/zinc/89/09/64/1026890964.db2.gz FIMKYVAITIKSEE-VGOFRKELSA-N 2 1 336.479 3.859 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193507027 1026890978 /nfs/dbraw/zinc/89/09/78/1026890978.db2.gz FIMKYVAITIKSEE-VGOFRKELSA-N 2 1 336.479 3.859 20 0 EHADMP CN(C)c1cc[nH+]c(NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000301718523 1026913927 /nfs/dbraw/zinc/91/39/27/1026913927.db2.gz IGXYUDYOFJVKDV-UHFFFAOYSA-N 2 1 339.487 3.531 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535570 1027025534 /nfs/dbraw/zinc/02/55/34/1027025534.db2.gz OBVNAYSVSLORCP-UYAOXDASSA-N 2 1 335.495 3.972 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535570 1027025540 /nfs/dbraw/zinc/02/55/40/1027025540.db2.gz OBVNAYSVSLORCP-UYAOXDASSA-N 2 1 335.495 3.972 20 0 EHADMP Cc1nc2c(c(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n1)CCCC2 ZINC000302063975 1027040401 /nfs/dbraw/zinc/04/04/01/1027040401.db2.gz VFDVUOSQTAEFHR-WMZOPIPTSA-N 2 1 342.531 3.755 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272757835 1027100162 /nfs/dbraw/zinc/10/01/62/1027100162.db2.gz PJPFPWJKEZMKAX-VQIMIIECSA-N 2 1 344.524 3.864 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cn2)c1 ZINC000531691887 1027190434 /nfs/dbraw/zinc/19/04/34/1027190434.db2.gz XKKOVRPANQTVOG-HKUYNNGSSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cn2)c1 ZINC000531691887 1027190441 /nfs/dbraw/zinc/19/04/41/1027190441.db2.gz XKKOVRPANQTVOG-HKUYNNGSSA-N 2 1 339.483 3.921 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700565 1027220840 /nfs/dbraw/zinc/22/08/40/1027220840.db2.gz NLWQQJOLAHPCNJ-PKOBYXMFSA-N 2 1 340.467 3.586 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CCOCC1 ZINC000531700051 1027220902 /nfs/dbraw/zinc/22/09/02/1027220902.db2.gz SSKPKLJNZFYJQC-OAQYLSRUSA-N 2 1 330.516 3.754 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513713299 1027252204 /nfs/dbraw/zinc/25/22/04/1027252204.db2.gz NGCDJNMBBKILGB-ULQDDVLXSA-N 2 1 342.405 3.547 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccn3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453052673 1027295163 /nfs/dbraw/zinc/29/51/63/1027295163.db2.gz DCYQBRCUVALYMT-FKBYEOEOSA-N 2 1 335.495 3.657 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)CCCc3cccnc3)CC2)[nH+]c1 ZINC000453115434 1027383802 /nfs/dbraw/zinc/38/38/02/1027383802.db2.gz GNWAQTLYVIVNCC-SFHVURJKSA-N 2 1 338.499 3.755 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453117750 1027391691 /nfs/dbraw/zinc/39/16/91/1027391691.db2.gz IGYFLAOCZGMJLL-NJYVYQBISA-N 2 1 344.543 3.818 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000453116695 1027392013 /nfs/dbraw/zinc/39/20/13/1027392013.db2.gz YIPPNCWGILRLJP-XUVXKRRUSA-N 2 1 341.524 3.984 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000453116695 1027392030 /nfs/dbraw/zinc/39/20/30/1027392030.db2.gz YIPPNCWGILRLJP-XUVXKRRUSA-N 2 1 341.524 3.984 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453138512 1027444458 /nfs/dbraw/zinc/44/44/58/1027444458.db2.gz AGVZICVCVOXKHA-NJDAHSKKSA-N 2 1 344.543 3.818 20 0 EHADMP c1cc(C[N@H+](CCCc2ccncc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420315920 1027463005 /nfs/dbraw/zinc/46/30/05/1027463005.db2.gz SFYQHBMOBLSJQN-IBGZPJMESA-N 2 1 341.524 3.720 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337704 1027471022 /nfs/dbraw/zinc/47/10/22/1027471022.db2.gz WYKKWRVEXDWZBJ-QFBILLFUSA-N 2 1 330.516 3.732 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000420325670 1027478067 /nfs/dbraw/zinc/47/80/67/1027478067.db2.gz WNPRFIRNPPUJPG-YLJYHZDGSA-N 2 1 328.431 3.714 20 0 EHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)s1 ZINC000420326041 1027480293 /nfs/dbraw/zinc/48/02/93/1027480293.db2.gz WYLCHOMVYBJUSO-ZBFHGGJFSA-N 2 1 347.528 3.758 20 0 EHADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420356995 1027487073 /nfs/dbraw/zinc/48/70/73/1027487073.db2.gz HIOMFSYBWIBLAF-OLZOCXBDSA-N 2 1 347.450 3.731 20 0 EHADMP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420363729 1027490190 /nfs/dbraw/zinc/49/01/90/1027490190.db2.gz CEABBJIRWFHEPZ-WBMJQRKESA-N 2 1 341.268 3.725 20 0 EHADMP CCCc1ccc([C@H](NCc2nc(C(C)(C)N)no2)C(C)C)cc1 ZINC000420374093 1027512932 /nfs/dbraw/zinc/51/29/32/1027512932.db2.gz NCUOHLWPVFXJEQ-QGZVFWFLSA-N 2 1 330.476 3.703 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143447087 1027585712 /nfs/dbraw/zinc/58/57/12/1027585712.db2.gz OEJIGQQTLRDDRC-UHFFFAOYSA-N 2 1 336.373 3.888 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnn(-c3ccc(Cl)cc3)c2)[C@H](C)C1 ZINC000130477747 1027672077 /nfs/dbraw/zinc/67/20/77/1027672077.db2.gz CKGHLYQHSBUMPS-DNVCBOLYSA-N 2 1 346.906 3.688 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000130646162 1027690517 /nfs/dbraw/zinc/69/05/17/1027690517.db2.gz MPLSGFUZHLHKGS-SUMWQHHRSA-N 2 1 332.879 3.645 20 0 EHADMP C[N@@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000414648219 1027693590 /nfs/dbraw/zinc/69/35/90/1027693590.db2.gz ARYILCBJQFFVGF-YVMONPNESA-N 2 1 336.479 3.963 20 0 EHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1 ZINC000414654400 1027718871 /nfs/dbraw/zinc/71/88/71/1027718871.db2.gz JFLFVRDQWZQVMX-OAHLLOKOSA-N 2 1 348.849 3.839 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414662353 1027748247 /nfs/dbraw/zinc/74/82/47/1027748247.db2.gz PXZLSMRBDDCRDZ-QSSYGXSSSA-N 2 1 336.479 3.948 20 0 EHADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000065981539 1027757289 /nfs/dbraw/zinc/75/72/89/1027757289.db2.gz PZGIAPMXPJUGOB-QGZVFWFLSA-N 2 1 342.483 3.704 20 0 EHADMP c1csc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420897074 1027835076 /nfs/dbraw/zinc/83/50/76/1027835076.db2.gz CBJQMUCHUDKFNO-IBGZPJMESA-N 2 1 342.508 3.917 20 0 EHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420897074 1027835096 /nfs/dbraw/zinc/83/50/96/1027835096.db2.gz CBJQMUCHUDKFNO-IBGZPJMESA-N 2 1 342.508 3.917 20 0 EHADMP CC(C)(CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422705962 1027865622 /nfs/dbraw/zinc/86/56/22/1027865622.db2.gz SKGMVKACMZIUDQ-SFTDATJTSA-N 2 1 335.495 3.558 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000513733688 1027876145 /nfs/dbraw/zinc/87/61/45/1027876145.db2.gz UWUJOXMVEODJAY-NRFANRHFSA-N 2 1 343.559 3.705 20 0 EHADMP CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420926425 1027876765 /nfs/dbraw/zinc/87/67/65/1027876765.db2.gz YFGCPSYGHAOWSB-KRWDZBQOSA-N 2 1 344.421 3.585 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1)C1CCCC1 ZINC000339068910 1027901121 /nfs/dbraw/zinc/90/11/21/1027901121.db2.gz RWGCXLQYVLKIHJ-QUCCMNQESA-N 2 1 341.499 3.532 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1)C1CCCC1 ZINC000339068910 1027901137 /nfs/dbraw/zinc/90/11/37/1027901137.db2.gz RWGCXLQYVLKIHJ-QUCCMNQESA-N 2 1 341.499 3.532 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422736490 1027904515 /nfs/dbraw/zinc/90/45/15/1027904515.db2.gz GGLNKLPBYCYUED-NJDAHSKKSA-N 3 1 329.532 3.539 20 0 EHADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422736490 1027904534 /nfs/dbraw/zinc/90/45/34/1027904534.db2.gz GGLNKLPBYCYUED-NJDAHSKKSA-N 2 1 329.532 3.539 20 0 EHADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422736490 1027904547 /nfs/dbraw/zinc/90/45/47/1027904547.db2.gz GGLNKLPBYCYUED-NJDAHSKKSA-N 2 1 329.532 3.539 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422743453 1027909997 /nfs/dbraw/zinc/90/99/97/1027909997.db2.gz RJYRGZWXDSFGLJ-KMKNWIINSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422743453 1027910013 /nfs/dbraw/zinc/91/00/13/1027910013.db2.gz RJYRGZWXDSFGLJ-KMKNWIINSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414687974 1027921142 /nfs/dbraw/zinc/92/11/42/1027921142.db2.gz CJCDVLJWSLUIHR-IEBWSBKVSA-N 2 1 341.474 3.654 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000503593252 1027933748 /nfs/dbraw/zinc/93/37/48/1027933748.db2.gz VWPKJXXMZALKTP-AYWYSENESA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422813944 1027962155 /nfs/dbraw/zinc/96/21/55/1027962155.db2.gz ZGKLKOFVHCOGNL-STZQEDGTSA-N 2 1 335.495 3.558 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422839866 1027979437 /nfs/dbraw/zinc/97/94/37/1027979437.db2.gz AKPOGUQAIQDFMM-KKXDTOCCSA-N 2 1 330.472 3.911 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422839865 1027982330 /nfs/dbraw/zinc/98/23/30/1027982330.db2.gz AKPOGUQAIQDFMM-DOPJRALCSA-N 2 1 330.472 3.911 20 0 EHADMP COc1ccc([C@H]2CCCCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000582853427 1028012458 /nfs/dbraw/zinc/01/24/58/1028012458.db2.gz DDIHUXZPKKOTQO-HXUWFJFHSA-N 2 1 327.472 3.979 20 0 EHADMP COc1ccc([C@H]2CCCCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000582853427 1028012467 /nfs/dbraw/zinc/01/24/67/1028012467.db2.gz DDIHUXZPKKOTQO-HXUWFJFHSA-N 2 1 327.472 3.979 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])c[nH]c21 ZINC000422912201 1028043732 /nfs/dbraw/zinc/04/37/32/1028043732.db2.gz MOYHTASAOAQLJP-HRAATJIYSA-N 2 1 335.495 3.821 20 0 EHADMP Cc1sc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422942222 1028069025 /nfs/dbraw/zinc/06/90/25/1028069025.db2.gz JCGBZSKCXOJOAI-ZFWWWQNUSA-N 2 1 335.904 3.989 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)s1 ZINC000422941211 1028070901 /nfs/dbraw/zinc/07/09/01/1028070901.db2.gz OIRGWBJDMLVFCH-FZMZJTMJSA-N 2 1 339.302 3.559 20 0 EHADMP c1coc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967032 1028078724 /nfs/dbraw/zinc/07/87/24/1028078724.db2.gz SBSWIJYZFNSXAQ-HAGHYFMRSA-N 2 1 345.531 3.707 20 0 EHADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422971973 1028101960 /nfs/dbraw/zinc/10/19/60/1028101960.db2.gz ZGRFJIVTWGAFQE-QBKZBJQZSA-N 2 1 343.559 3.578 20 0 EHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422972244 1028103140 /nfs/dbraw/zinc/10/31/40/1028103140.db2.gz ZXKDILBDMXCWCF-CBQGHPETSA-N 2 1 349.522 3.788 20 0 EHADMP Cc1noc(C[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c2ccccc2)n1 ZINC000423071330 1028160996 /nfs/dbraw/zinc/16/09/96/1028160996.db2.gz FIOAZWMWPXFDPS-IPELMVKDSA-N 2 1 342.487 3.562 20 0 EHADMP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423123824 1028190506 /nfs/dbraw/zinc/19/05/06/1028190506.db2.gz FIFLGNIHTRRNTD-PMOUVXMZSA-N 2 1 340.920 3.526 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000503923765 1028213624 /nfs/dbraw/zinc/21/36/24/1028213624.db2.gz FPYMJUWGDVJNJE-INIZCTEOSA-N 2 1 325.456 3.587 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000423143065 1028229237 /nfs/dbraw/zinc/22/92/37/1028229237.db2.gz WGPHFSFOQBVLBY-WHOFXGATSA-N 2 1 346.272 3.853 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000423143064 1028229481 /nfs/dbraw/zinc/22/94/81/1028229481.db2.gz WGPHFSFOQBVLBY-UXIGCNINSA-N 2 1 346.272 3.853 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000423185716 1028231957 /nfs/dbraw/zinc/23/19/57/1028231957.db2.gz VXFXLSRZGHFRIT-NJDAHSKKSA-N 2 1 341.543 3.681 20 0 EHADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000161672328 1028234354 /nfs/dbraw/zinc/23/43/54/1028234354.db2.gz PTKAFGBIYIUEHN-KRWDZBQOSA-N 2 1 341.902 3.547 20 0 EHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423191788 1028260570 /nfs/dbraw/zinc/26/05/70/1028260570.db2.gz TYVSJFYUOSGDLN-KRWDZBQOSA-N 2 1 327.472 3.699 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121284534 1028310746 /nfs/dbraw/zinc/31/07/46/1028310746.db2.gz ZCNLPPAOPMIBOY-HBMCJLEFSA-N 2 1 340.511 3.507 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423258316 1028317425 /nfs/dbraw/zinc/31/74/25/1028317425.db2.gz BHMWUBDYKUCANC-DNVCBOLYSA-N 2 1 346.519 3.775 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423283125 1028322887 /nfs/dbraw/zinc/32/28/87/1028322887.db2.gz XGHRRMVUPWZGJW-KSSFIOAISA-N 2 1 334.410 3.823 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423288207 1028325220 /nfs/dbraw/zinc/32/52/20/1028325220.db2.gz QYTFGMFLMKQBQQ-QMMMGPOBSA-N 2 1 339.199 3.856 20 0 EHADMP [NH3+]C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000423269215 1028332702 /nfs/dbraw/zinc/33/27/02/1028332702.db2.gz VQBDHIQBPZDDAE-CIAFKFPVSA-N 2 1 341.543 3.679 20 0 EHADMP CC[C@H](C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000421377490 1028336822 /nfs/dbraw/zinc/33/68/22/1028336822.db2.gz RWJUVYBSBPNPAE-HXUWFJFHSA-N 2 1 343.559 3.672 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423321603 1028349949 /nfs/dbraw/zinc/34/99/49/1028349949.db2.gz GOUVTWMBAVXHTR-UTKZUKDTSA-N 2 1 340.515 3.838 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423304781 1028359589 /nfs/dbraw/zinc/35/95/89/1028359589.db2.gz ZLJMAGVLFDGMJV-FZMZJTMJSA-N 2 1 331.273 3.626 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374347 1028377866 /nfs/dbraw/zinc/37/78/66/1028377866.db2.gz IHPBACCDMATSGE-NUNAXRQHSA-N 2 1 347.506 3.575 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374347 1028377881 /nfs/dbraw/zinc/37/78/81/1028377881.db2.gz IHPBACCDMATSGE-NUNAXRQHSA-N 2 1 347.506 3.575 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374347 1028377899 /nfs/dbraw/zinc/37/78/99/1028377899.db2.gz IHPBACCDMATSGE-NUNAXRQHSA-N 2 1 347.506 3.575 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000504088976 1028413245 /nfs/dbraw/zinc/41/32/45/1028413245.db2.gz UAMMRURNBSXRBG-ROUUACIJSA-N 2 1 340.515 3.843 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423442142 1028432495 /nfs/dbraw/zinc/43/24/95/1028432495.db2.gz VAMYOAKEHLLPTN-WLRLJWMZSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423442142 1028432502 /nfs/dbraw/zinc/43/25/02/1028432502.db2.gz VAMYOAKEHLLPTN-WLRLJWMZSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423438717 1028444781 /nfs/dbraw/zinc/44/47/81/1028444781.db2.gz HDTNHBMCQNYXNB-QSDJMHMYSA-N 2 1 329.307 3.557 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423484126 1028473995 /nfs/dbraw/zinc/47/39/95/1028473995.db2.gz ZUPVCHDHJIHJHB-KREBGBLKSA-N 3 1 329.532 3.537 20 0 EHADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423494095 1028480304 /nfs/dbraw/zinc/48/03/04/1028480304.db2.gz RONUGFPHTMGBGE-CVEARBPZSA-N 2 1 330.394 3.515 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000582999648 1028489827 /nfs/dbraw/zinc/48/98/27/1028489827.db2.gz KNAVPAAQZAZSCA-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000582999648 1028489842 /nfs/dbraw/zinc/48/98/42/1028489842.db2.gz KNAVPAAQZAZSCA-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H](CN)C2CCCC2)cc1Br ZINC000423535304 1028504163 /nfs/dbraw/zinc/50/41/63/1028504163.db2.gz XJLSMDPZKKGTRM-XHDPSFHLSA-N 2 1 341.293 3.626 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1Br ZINC000423535304 1028504180 /nfs/dbraw/zinc/50/41/80/1028504180.db2.gz XJLSMDPZKKGTRM-XHDPSFHLSA-N 2 1 341.293 3.626 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC[NH2+]1 ZINC000414753647 1028545155 /nfs/dbraw/zinc/54/51/55/1028545155.db2.gz MROJBXVHKCQMGV-VCBZYWHSSA-N 2 1 344.890 3.539 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000583033266 1028607658 /nfs/dbraw/zinc/60/76/58/1028607658.db2.gz BGCWIJACVKFWJL-PMACEKPBSA-N 2 1 330.516 3.539 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246506875 1028642182 /nfs/dbraw/zinc/64/21/82/1028642182.db2.gz BVTMDHMHYIMTHS-QVDMIQRCSA-N 2 1 327.472 3.538 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246506875 1028642194 /nfs/dbraw/zinc/64/21/94/1028642194.db2.gz BVTMDHMHYIMTHS-QVDMIQRCSA-N 2 1 327.472 3.538 20 0 EHADMP Cc1sc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000246522063 1028653260 /nfs/dbraw/zinc/65/32/60/1028653260.db2.gz URJSLNJMPUKUMY-YOEHRIQHSA-N 2 1 329.513 3.733 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000237533688 1028653504 /nfs/dbraw/zinc/65/35/04/1028653504.db2.gz FHKTUPLHCSXRCG-LLVKDONJSA-N 2 1 343.805 3.872 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000523851402 1028659276 /nfs/dbraw/zinc/65/92/76/1028659276.db2.gz OPXVWWLUCJXSPH-WMZOPIPTSA-N 2 1 333.520 3.586 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000247007578 1028728203 /nfs/dbraw/zinc/72/82/03/1028728203.db2.gz PKAYYZLJICBIII-OALUTQOASA-N 2 1 343.515 3.602 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000247007578 1028728221 /nfs/dbraw/zinc/72/82/21/1028728221.db2.gz PKAYYZLJICBIII-OALUTQOASA-N 2 1 343.515 3.602 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000247007578 1028728236 /nfs/dbraw/zinc/72/82/36/1028728236.db2.gz PKAYYZLJICBIII-OALUTQOASA-N 2 1 343.515 3.602 20 0 EHADMP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247269917 1028768496 /nfs/dbraw/zinc/76/84/96/1028768496.db2.gz YBFRATSNZANDHJ-FGTMMUONSA-N 2 1 343.515 3.525 20 0 EHADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414772792 1028775686 /nfs/dbraw/zinc/77/56/86/1028775686.db2.gz CLSSMHAGESSJND-GJZGRUSLSA-N 2 1 329.875 3.710 20 0 EHADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000424127389 1028823372 /nfs/dbraw/zinc/82/33/72/1028823372.db2.gz CUFHBZPLTQFWMP-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000424127389 1028823397 /nfs/dbraw/zinc/82/33/97/1028823397.db2.gz CUFHBZPLTQFWMP-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777984 1028877481 /nfs/dbraw/zinc/87/74/81/1028877481.db2.gz ISQUSCONTBVHLS-STQMWFEESA-N 2 1 330.369 3.666 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)cc(Br)c1)CC[NH2+]CC2 ZINC000424287634 1028929745 /nfs/dbraw/zinc/92/97/45/1028929745.db2.gz JFFOINAQWOMYPR-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424289078 1028930595 /nfs/dbraw/zinc/93/05/95/1028930595.db2.gz LJYQYMXABVATIV-CQSZACIVSA-N 2 1 342.405 3.592 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)on2)cc1 ZINC000424298973 1028941857 /nfs/dbraw/zinc/94/18/57/1028941857.db2.gz VCVNUANZVUOLCD-MRXNPFEDSA-N 2 1 325.456 3.614 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302346 1028948304 /nfs/dbraw/zinc/94/83/04/1028948304.db2.gz ZFULPWRKYBGPJV-CYBMUJFWSA-N 2 1 328.378 3.549 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)C[C@H]2C1 ZINC000424324068 1028971095 /nfs/dbraw/zinc/97/10/95/1028971095.db2.gz WSAFPOPKARZABV-FMWJIXOUSA-N 2 1 348.556 3.924 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)C[C@H]2C1 ZINC000424324068 1028971106 /nfs/dbraw/zinc/97/11/06/1028971106.db2.gz WSAFPOPKARZABV-FMWJIXOUSA-N 2 1 348.556 3.924 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424307204 1028989377 /nfs/dbraw/zinc/98/93/77/1028989377.db2.gz XCBJWLVIUSWLLF-SFHVURJKSA-N 2 1 329.513 3.889 20 0 EHADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000245689385 1029010634 /nfs/dbraw/zinc/01/06/34/1029010634.db2.gz KBWJOKMVOUEWCU-YRPNKDGESA-N 2 1 342.508 3.567 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)s2)cs1 ZINC000414785721 1029031111 /nfs/dbraw/zinc/03/11/11/1029031111.db2.gz TUTGPSWWYQQKBO-ZIAGYGMSSA-N 2 1 333.526 3.693 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368591 1029031617 /nfs/dbraw/zinc/03/16/17/1029031617.db2.gz AQEZBKWMNDWSBF-GFCCVEGCSA-N 2 1 330.369 3.809 20 0 EHADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OCC(C)C ZINC000424368506 1029031945 /nfs/dbraw/zinc/03/19/45/1029031945.db2.gz ACSDTLVPPCRAKI-QGZVFWFLSA-N 2 1 346.515 3.694 20 0 EHADMP CCCOc1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1OCC ZINC000414785541 1029032130 /nfs/dbraw/zinc/03/21/30/1029032130.db2.gz STERKIHXKHLURC-QZTJIDSGSA-N 2 1 346.515 3.696 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1)CC[NH2+]CC2 ZINC000424378466 1029037310 /nfs/dbraw/zinc/03/73/10/1029037310.db2.gz NFOQVVDTJWMPFK-LBPRGKRZSA-N 2 1 344.833 3.905 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000280767222 1029049439 /nfs/dbraw/zinc/04/94/39/1029049439.db2.gz FXPPENCRZMTVFS-ZDUSSCGKSA-N 2 1 325.378 3.821 20 0 EHADMP CC[C@@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647937045 1029157947 /nfs/dbraw/zinc/15/79/47/1029157947.db2.gz QCDIKFUHPQALTJ-RHSMWYFYSA-N 2 1 344.421 3.924 20 0 EHADMP Brc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075695 1029276950 /nfs/dbraw/zinc/27/69/50/1029276950.db2.gz BLTUOQMILIVULC-QAPCUYQASA-N 2 1 349.316 3.898 20 0 EHADMP Cc1ccc2ncc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000272149903 1029332271 /nfs/dbraw/zinc/33/22/71/1029332271.db2.gz DEPJNHFBMCBGRH-UYAOXDASSA-N 2 1 348.494 3.643 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000272279727 1029396571 /nfs/dbraw/zinc/39/65/71/1029396571.db2.gz CRLTZWQWIKAZMT-SPEDKVCISA-N 2 1 338.495 3.740 20 0 EHADMP CCOc1ccccc1OCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524757563 1029487217 /nfs/dbraw/zinc/48/72/17/1029487217.db2.gz GDMICDHCWKZZIL-UHFFFAOYSA-N 2 1 334.504 3.516 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261751138 1029495483 /nfs/dbraw/zinc/49/54/83/1029495483.db2.gz QCQVZLFVMDBWTK-KKSFZXQISA-N 2 1 337.467 3.671 20 0 EHADMP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@H]1CCC[NH+](C)C1 ZINC000533295202 1029588903 /nfs/dbraw/zinc/58/89/03/1029588903.db2.gz YFOTWMDYXSEQEZ-SFHVURJKSA-N 2 1 348.494 3.775 20 0 EHADMP C[NH+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@H]1CCC[N@H+](C)C1 ZINC000533295202 1029588906 /nfs/dbraw/zinc/58/89/06/1029588906.db2.gz YFOTWMDYXSEQEZ-SFHVURJKSA-N 2 1 348.494 3.775 20 0 EHADMP C[NH+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@H]1CCC[N@@H+](C)C1 ZINC000533295202 1029588909 /nfs/dbraw/zinc/58/89/09/1029588909.db2.gz YFOTWMDYXSEQEZ-SFHVURJKSA-N 2 1 348.494 3.775 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655764086 1029597987 /nfs/dbraw/zinc/59/79/87/1029597987.db2.gz VKOBOBAKXLJIBO-QAPCUYQASA-N 2 1 334.529 3.703 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000246062242 1029619811 /nfs/dbraw/zinc/61/98/11/1029619811.db2.gz RLEPSHKXUAVGPL-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000246062242 1029619819 /nfs/dbraw/zinc/61/98/19/1029619819.db2.gz RLEPSHKXUAVGPL-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP c1cc(C2CCCC2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751138 1029638217 /nfs/dbraw/zinc/63/82/17/1029638217.db2.gz GFOFMJPALYJYLZ-NRFANRHFSA-N 2 1 328.500 3.687 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347399441 1029727189 /nfs/dbraw/zinc/72/71/89/1029727189.db2.gz KIBYBBBMHSNXSZ-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)C1CCC([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000525180355 1029730063 /nfs/dbraw/zinc/73/00/63/1029730063.db2.gz XXAWAWBPMILWKF-ACBHZAAOSA-N 2 1 349.588 3.841 20 0 EHADMP CCOc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC000126528373 1029741680 /nfs/dbraw/zinc/74/16/80/1029741680.db2.gz YKBIRYVHZGJQII-IHBAFOEMSA-N 2 1 330.472 3.514 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548793257 1029755498 /nfs/dbraw/zinc/75/54/98/1029755498.db2.gz WNMDVCOBMUVWJY-NRSPTQNISA-N 2 1 342.527 3.836 20 0 EHADMP c1c[nH]c([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc2)n1 ZINC000126890543 1029796730 /nfs/dbraw/zinc/79/67/30/1029796730.db2.gz ZTCMWLQBARLBDA-LJQANCHMSA-N 2 1 326.488 3.745 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCC1 ZINC000446828590 1029812437 /nfs/dbraw/zinc/81/24/37/1029812437.db2.gz WSVVBNBKCUAGEJ-LNLFQRSKSA-N 2 1 336.545 3.926 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCC1 ZINC000446828590 1029812447 /nfs/dbraw/zinc/81/24/47/1029812447.db2.gz WSVVBNBKCUAGEJ-LNLFQRSKSA-N 2 1 336.545 3.926 20 0 EHADMP C[C@H]1C[N@@H+](CCCNc2ccnc3c(Cl)cccc23)CCCO1 ZINC000343228485 1029830584 /nfs/dbraw/zinc/83/05/84/1029830584.db2.gz KOWCPJXYLDEOPN-AWEZNQCLSA-N 2 1 333.863 3.801 20 0 EHADMP C[C@H](CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000287594017 1029845976 /nfs/dbraw/zinc/84/59/76/1029845976.db2.gz IEJHVYGFODTPHX-PVAVHDDUSA-N 2 1 344.421 3.597 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706243 1029991359 /nfs/dbraw/zinc/99/13/59/1029991359.db2.gz GYKAQYRZJVGVGM-ACRUOGEOSA-N 2 1 330.516 3.603 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)C2)CC1 ZINC001204886587 1030050042 /nfs/dbraw/zinc/05/00/42/1030050042.db2.gz JFJIXEGBPLKPJP-UHFFFAOYSA-N 2 1 330.369 3.762 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H]1CC[NH3+] ZINC000650711965 1030066227 /nfs/dbraw/zinc/06/62/27/1030066227.db2.gz LBZUCXFHDDPARM-UWJYYQICSA-N 2 1 339.483 3.610 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453309888 1030083765 /nfs/dbraw/zinc/08/37/65/1030083765.db2.gz DXZZOUQLXWCURB-HLAWJBBLSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932159 1030088793 /nfs/dbraw/zinc/08/87/93/1030088793.db2.gz ZIKUHXVQSICMMW-PKOBYXMFSA-N 2 1 343.540 3.696 20 0 EHADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@@]4(CCSC4)C3)CC2)cc1 ZINC000453348848 1030140894 /nfs/dbraw/zinc/14/08/94/1030140894.db2.gz GWKDALPXPWFMQZ-OAQYLSRUSA-N 2 1 344.568 3.913 20 0 EHADMP c1ccc(CC[NH+]2CCC([N@H+]3CCC[C@@]4(CCSC4)C3)CC2)cc1 ZINC000453348848 1030140897 /nfs/dbraw/zinc/14/08/97/1030140897.db2.gz GWKDALPXPWFMQZ-OAQYLSRUSA-N 2 1 344.568 3.913 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719260 1030156719 /nfs/dbraw/zinc/15/67/19/1030156719.db2.gz JPCKGTDMJRIWQN-PGRDOPGGSA-N 3 1 337.511 3.549 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719260 1030156727 /nfs/dbraw/zinc/15/67/27/1030156727.db2.gz JPCKGTDMJRIWQN-PGRDOPGGSA-N 2 1 337.511 3.549 20 0 EHADMP Fc1cc(F)cc(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453381866 1030163045 /nfs/dbraw/zinc/16/30/45/1030163045.db2.gz RJDPYJBYSXJUQO-WOJBJXKFSA-N 2 1 334.454 3.846 20 0 EHADMP CC1(C)CCC[N@H+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000453387556 1030168489 /nfs/dbraw/zinc/16/84/89/1030168489.db2.gz FKEKTXSNRBRZBR-WKCHPHFGSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453387556 1030168499 /nfs/dbraw/zinc/16/84/99/1030168499.db2.gz FKEKTXSNRBRZBR-WKCHPHFGSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453387556 1030168511 /nfs/dbraw/zinc/16/85/11/1030168511.db2.gz FKEKTXSNRBRZBR-WKCHPHFGSA-N 2 1 341.543 3.646 20 0 EHADMP CCSc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722831 1030197475 /nfs/dbraw/zinc/19/74/75/1030197475.db2.gz CBZWXLUGCARQAZ-UHOSZYNNSA-N 2 1 334.529 3.659 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000650722136 1030207215 /nfs/dbraw/zinc/20/72/15/1030207215.db2.gz LZDRQPPCBNGMLD-OIISXLGYSA-N 2 1 343.298 3.854 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453406860 1030217588 /nfs/dbraw/zinc/21/75/88/1030217588.db2.gz FYRQWAOSHKGUEB-YZGWKJHDSA-N 2 1 330.516 3.692 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2CCOCC2)C3)cc1 ZINC000447530343 1030253055 /nfs/dbraw/zinc/25/30/55/1030253055.db2.gz NVKDKIYPOLWEPJ-WKCHPHFGSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000453427169 1030280791 /nfs/dbraw/zinc/28/07/91/1030280791.db2.gz OQTKIHWIRIZXLW-DKUWSORSSA-N 2 1 335.495 3.718 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000482254251 1030291262 /nfs/dbraw/zinc/29/12/62/1030291262.db2.gz SXNAQAVMSAOFQG-XJKSGUPXSA-N 2 1 326.406 3.667 20 0 EHADMP COC(=O)C(C)(C)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000525978366 1030296833 /nfs/dbraw/zinc/29/68/33/1030296833.db2.gz SJIHQOOXSUTQRG-IEBWSBKVSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000525978366 1030296845 /nfs/dbraw/zinc/29/68/45/1030296845.db2.gz SJIHQOOXSUTQRG-IEBWSBKVSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000525978366 1030296856 /nfs/dbraw/zinc/29/68/56/1030296856.db2.gz SJIHQOOXSUTQRG-IEBWSBKVSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000525978366 1030296867 /nfs/dbraw/zinc/29/68/67/1030296867.db2.gz SJIHQOOXSUTQRG-IEBWSBKVSA-N 2 1 346.515 3.561 20 0 EHADMP C[C@@H]1CCCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000482277552 1030300954 /nfs/dbraw/zinc/30/09/54/1030300954.db2.gz MCHOUKJJGWRJAU-GOSISDBHSA-N 2 1 329.532 3.839 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447563657 1030308633 /nfs/dbraw/zinc/30/86/33/1030308633.db2.gz RIRZHRKEGWUYRJ-FGZHOGPDSA-N 2 1 343.559 3.734 20 0 EHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447579361 1030344791 /nfs/dbraw/zinc/34/47/91/1030344791.db2.gz KHTNWKHUAZBWAY-ICBQOUSBSA-N 2 1 342.527 3.831 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000092165519 1030393392 /nfs/dbraw/zinc/39/33/92/1030393392.db2.gz CMEDNHASITUUAU-UHFFFAOYSA-N 2 1 340.895 3.663 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000092165519 1030393404 /nfs/dbraw/zinc/39/34/04/1030393404.db2.gz CMEDNHASITUUAU-UHFFFAOYSA-N 2 1 340.895 3.663 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000092587946 1030488262 /nfs/dbraw/zinc/48/82/62/1030488262.db2.gz YJENXEMCIFLCOK-DLBZAZTESA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000092587946 1030488269 /nfs/dbraw/zinc/48/82/69/1030488269.db2.gz YJENXEMCIFLCOK-DLBZAZTESA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000092587946 1030488277 /nfs/dbraw/zinc/48/82/77/1030488277.db2.gz YJENXEMCIFLCOK-DLBZAZTESA-N 2 1 326.488 3.649 20 0 EHADMP CCC[C@H]1C[N@@H+](CCCn2ccnc2C)CCN1Cc1ccccc1 ZINC000343401455 1030705167 /nfs/dbraw/zinc/70/51/67/1030705167.db2.gz KMNUINAJCCFLFG-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1sccc1Br ZINC000650753920 1030732311 /nfs/dbraw/zinc/73/23/11/1030732311.db2.gz YIWVCFRUGLCWGG-VIFPVBQESA-N 2 1 343.265 3.959 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000448163019 1030765029 /nfs/dbraw/zinc/76/50/29/1030765029.db2.gz DKMQANQVUCTUMT-INIZCTEOSA-N 2 1 344.528 3.663 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000448163019 1030765047 /nfs/dbraw/zinc/76/50/47/1030765047.db2.gz DKMQANQVUCTUMT-INIZCTEOSA-N 2 1 344.528 3.663 20 0 EHADMP CSc1ccc([C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000550940183 1030811772 /nfs/dbraw/zinc/81/17/72/1030811772.db2.gz YQHMOSKWDXINKI-IBGZPJMESA-N 2 1 349.588 3.864 20 0 EHADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551000734 1030889782 /nfs/dbraw/zinc/88/97/82/1030889782.db2.gz SCECLARWHZCCJL-RTWAWAEBSA-N 2 1 329.532 3.534 20 0 EHADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cn2c1 ZINC000551221431 1031143692 /nfs/dbraw/zinc/14/36/92/1031143692.db2.gz XDXDJVVVLDMNLQ-UHFFFAOYSA-N 2 1 348.494 3.918 20 0 EHADMP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cn3ccccc3n2)cc1F ZINC000551271417 1031182687 /nfs/dbraw/zinc/18/26/87/1031182687.db2.gz XTZBIWQLWUGLQR-AWEZNQCLSA-N 2 1 349.413 3.818 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483581504 1031227510 /nfs/dbraw/zinc/22/75/10/1031227510.db2.gz JHVIWLQWSRSHQJ-UHFFFAOYSA-N 2 1 328.859 3.663 20 0 EHADMP CC[C@@H](C)c1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000527860806 1031338502 /nfs/dbraw/zinc/33/85/02/1031338502.db2.gz YEMXCWDLTSGNQD-MOPGFXCFSA-N 2 1 331.548 3.878 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527861748 1031340233 /nfs/dbraw/zinc/34/02/33/1031340233.db2.gz ZGEILSPYPVZGPK-SFHVURJKSA-N 2 1 340.870 3.557 20 0 EHADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1(c2ccccc2)CCCC1 ZINC000483819492 1031352346 /nfs/dbraw/zinc/35/23/46/1031352346.db2.gz JUWYJSPHYKOBGH-SFHVURJKSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1(c2ccccc2)CCCC1 ZINC000483819490 1031352845 /nfs/dbraw/zinc/35/28/45/1031352845.db2.gz JUWYJSPHYKOBGH-GOSISDBHSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000133000016 1031482630 /nfs/dbraw/zinc/48/26/30/1031482630.db2.gz FCBRJSRGEQCMAK-ZIAGYGMSSA-N 2 1 340.870 3.631 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000158647577 1031512771 /nfs/dbraw/zinc/51/27/71/1031512771.db2.gz WHQAJLOEEFJHRY-BBWFWOEESA-N 2 1 331.504 3.664 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000158647577 1031512776 /nfs/dbraw/zinc/51/27/76/1031512776.db2.gz WHQAJLOEEFJHRY-BBWFWOEESA-N 2 1 331.504 3.664 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960663 1031524209 /nfs/dbraw/zinc/52/42/09/1031524209.db2.gz CWLWKHDRRIIUJG-UTKZUKDTSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960663 1031524229 /nfs/dbraw/zinc/52/42/29/1031524229.db2.gz CWLWKHDRRIIUJG-UTKZUKDTSA-N 2 1 348.494 3.574 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177295451 1031552725 /nfs/dbraw/zinc/55/27/25/1031552725.db2.gz MJESUCZKTINVEW-QWHCGFSZSA-N 2 1 336.277 3.941 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000584052877 1031593763 /nfs/dbraw/zinc/59/37/63/1031593763.db2.gz KZOKJOOGNFXYSZ-FQEVSTJZSA-N 2 1 342.527 3.980 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000584052877 1031593778 /nfs/dbraw/zinc/59/37/78/1031593778.db2.gz KZOKJOOGNFXYSZ-FQEVSTJZSA-N 2 1 342.527 3.980 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Br)c2)C1 ZINC000551898414 1031750218 /nfs/dbraw/zinc/75/02/18/1031750218.db2.gz UURNZAQZUXWGTF-CABCVRRESA-N 2 1 339.321 3.873 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000584199747 1031924553 /nfs/dbraw/zinc/92/45/53/1031924553.db2.gz VXNCRFHUZDLINH-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000584199747 1031924571 /nfs/dbraw/zinc/92/45/71/1031924571.db2.gz VXNCRFHUZDLINH-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000584199747 1031924579 /nfs/dbraw/zinc/92/45/79/1031924579.db2.gz VXNCRFHUZDLINH-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000584199747 1031924597 /nfs/dbraw/zinc/92/45/97/1031924597.db2.gz VXNCRFHUZDLINH-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015413 1032026610 /nfs/dbraw/zinc/02/66/10/1032026610.db2.gz BUCNZRMHVSRPNK-IAGOWNOFSA-N 2 1 327.472 3.914 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015413 1032026627 /nfs/dbraw/zinc/02/66/27/1032026627.db2.gz BUCNZRMHVSRPNK-IAGOWNOFSA-N 2 1 327.472 3.914 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449015413 1032026644 /nfs/dbraw/zinc/02/66/44/1032026644.db2.gz BUCNZRMHVSRPNK-IAGOWNOFSA-N 2 1 327.472 3.914 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449015413 1032026661 /nfs/dbraw/zinc/02/66/61/1032026661.db2.gz BUCNZRMHVSRPNK-IAGOWNOFSA-N 2 1 327.472 3.914 20 0 EHADMP COCC(C)(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000426410379 1032031897 /nfs/dbraw/zinc/03/18/97/1032031897.db2.gz JAKFWTBBZPRMGL-PMACEKPBSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954890 1032041407 /nfs/dbraw/zinc/04/14/07/1032041407.db2.gz YASHKBYRKXAUEZ-ZNLUXHQJSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954890 1032041419 /nfs/dbraw/zinc/04/14/19/1032041419.db2.gz YASHKBYRKXAUEZ-ZNLUXHQJSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000657837183 1032042100 /nfs/dbraw/zinc/04/21/00/1032042100.db2.gz REZGKBBDPSYGQM-XLIONFOSSA-N 2 1 338.499 3.882 20 0 EHADMP Cc1ccccc1-c1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000574651696 1033315716 /nfs/dbraw/zinc/31/57/16/1033315716.db2.gz SWLHVVRHEAYRCA-UHFFFAOYSA-N 2 1 338.495 3.598 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000594515509 1033423065 /nfs/dbraw/zinc/42/30/65/1033423065.db2.gz SWOFUSDXKGNMFE-LSDHHAIUSA-N 2 1 343.471 3.809 20 0 EHADMP C[C@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000685613215 1033625120 /nfs/dbraw/zinc/62/51/20/1033625120.db2.gz LRNAUCYLRMEHSY-CYBMUJFWSA-N 2 1 330.394 3.623 20 0 EHADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(=O)OC(C)(C)C ZINC000595001775 1033627467 /nfs/dbraw/zinc/62/74/67/1033627467.db2.gz YNEKZSMLUGVOHV-OKZBNKHCSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2COC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000657931829 1033675914 /nfs/dbraw/zinc/67/59/14/1033675914.db2.gz JFLQLDKIMLGQNF-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP c1cc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2s1 ZINC000655767748 1033726998 /nfs/dbraw/zinc/72/69/98/1033726998.db2.gz JIXICVGHSRVBJN-SFHVURJKSA-N 2 1 330.497 3.634 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(N(C)C)c3)C2)CC1 ZINC000608493922 1033727121 /nfs/dbraw/zinc/72/71/21/1033727121.db2.gz WYCNMDUGZALHCI-HXUWFJFHSA-N 2 1 329.532 3.697 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(N(C)C)c3)C2)CC1 ZINC000608493922 1033727134 /nfs/dbraw/zinc/72/71/34/1033727134.db2.gz WYCNMDUGZALHCI-HXUWFJFHSA-N 2 1 329.532 3.697 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550621924 1033751370 /nfs/dbraw/zinc/75/13/70/1033751370.db2.gz PQPWFURVKFNDQP-UNWVZKJWSA-N 2 1 349.522 3.938 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550621924 1033751389 /nfs/dbraw/zinc/75/13/89/1033751389.db2.gz PQPWFURVKFNDQP-UNWVZKJWSA-N 2 1 349.522 3.938 20 0 EHADMP CC(C)[C@@H]1C[NH+](C/C=C\C[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577909 1033771875 /nfs/dbraw/zinc/77/18/75/1033771875.db2.gz SIIGKPURBZQPGQ-SPCWZHTESA-N 2 1 342.618 3.689 20 0 EHADMP CC(C)[C@@H]1C[N@H+](C/C=C\C[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577909 1033771888 /nfs/dbraw/zinc/77/18/88/1033771888.db2.gz SIIGKPURBZQPGQ-SPCWZHTESA-N 2 1 342.618 3.689 20 0 EHADMP CC(C)[C@@H]1C[N@@H+](C/C=C\C[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577909 1033771905 /nfs/dbraw/zinc/77/19/05/1033771905.db2.gz SIIGKPURBZQPGQ-SPCWZHTESA-N 2 1 342.618 3.689 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000137138192 1033781062 /nfs/dbraw/zinc/78/10/62/1033781062.db2.gz LABKRISFMMXVNK-JQWIXIFHSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000137138192 1033781078 /nfs/dbraw/zinc/78/10/78/1033781078.db2.gz LABKRISFMMXVNK-JQWIXIFHSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000658065272 1033887222 /nfs/dbraw/zinc/88/72/22/1033887222.db2.gz WIQVDIRHYSCIEZ-AYWYSENESA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595717821 1033960705 /nfs/dbraw/zinc/96/07/05/1033960705.db2.gz PVZSDDQZUVYYSA-GOSISDBHSA-N 2 1 338.536 3.695 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614779 1034153894 /nfs/dbraw/zinc/15/38/94/1034153894.db2.gz IMVYAKPIKFQJCQ-JSGCOSHPSA-N 2 1 330.394 3.732 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614779 1034153905 /nfs/dbraw/zinc/15/39/05/1034153905.db2.gz IMVYAKPIKFQJCQ-JSGCOSHPSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614779 1034153914 /nfs/dbraw/zinc/15/39/14/1034153914.db2.gz IMVYAKPIKFQJCQ-JSGCOSHPSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614779 1034153927 /nfs/dbraw/zinc/15/39/27/1034153927.db2.gz IMVYAKPIKFQJCQ-JSGCOSHPSA-N 2 1 330.394 3.732 20 0 EHADMP CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000658316997 1034191004 /nfs/dbraw/zinc/19/10/04/1034191004.db2.gz UONUWFLVWXHVBC-CIAFKFPVSA-N 2 1 342.527 3.977 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686672 1034277672 /nfs/dbraw/zinc/27/76/72/1034277672.db2.gz VGQUUMIGCCBAAR-BVOGOJNSSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686672 1034277682 /nfs/dbraw/zinc/27/76/82/1034277682.db2.gz VGQUUMIGCCBAAR-BVOGOJNSSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686672 1034277696 /nfs/dbraw/zinc/27/76/96/1034277696.db2.gz VGQUUMIGCCBAAR-BVOGOJNSSA-N 2 1 330.516 3.959 20 0 EHADMP CSC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000596648990 1034347202 /nfs/dbraw/zinc/34/72/02/1034347202.db2.gz WRLMFBMVYBZSKO-AWEZNQCLSA-N 2 1 332.435 3.971 20 0 EHADMP c1nc(CCN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cs1 ZINC000450450177 1034355569 /nfs/dbraw/zinc/35/55/69/1034355569.db2.gz DRLXMAKTTKNVSC-HXUWFJFHSA-N 2 1 341.524 3.674 20 0 EHADMP c1nc(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cs1 ZINC000450450177 1034355595 /nfs/dbraw/zinc/35/55/95/1034355595.db2.gz DRLXMAKTTKNVSC-HXUWFJFHSA-N 2 1 341.524 3.674 20 0 EHADMP c1nc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cs1 ZINC000450450177 1034355602 /nfs/dbraw/zinc/35/56/02/1034355602.db2.gz DRLXMAKTTKNVSC-HXUWFJFHSA-N 2 1 341.524 3.674 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000534301522 1034361646 /nfs/dbraw/zinc/36/16/46/1034361646.db2.gz CXKJHWCZCVEUPJ-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1OCC ZINC000302853564 1034381880 /nfs/dbraw/zinc/38/18/80/1034381880.db2.gz FOTFXHQPSJLQKL-UHFFFAOYSA-N 2 1 334.504 3.696 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000623404105 1034470720 /nfs/dbraw/zinc/47/07/20/1034470720.db2.gz QMMDEOZXCURTCH-OAQYLSRUSA-N 2 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)c2)CC1 ZINC000623404105 1034470728 /nfs/dbraw/zinc/47/07/28/1034470728.db2.gz QMMDEOZXCURTCH-OAQYLSRUSA-N 3 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000623404105 1034470745 /nfs/dbraw/zinc/47/07/45/1034470745.db2.gz QMMDEOZXCURTCH-OAQYLSRUSA-N 3 1 343.559 3.881 20 0 EHADMP CSc1cc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000340274541 1034471904 /nfs/dbraw/zinc/47/19/04/1034471904.db2.gz QNWHIKRYZIQRNF-ZWKOTPCHSA-N 2 1 327.497 3.729 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@H]1c1ccccc1 ZINC000340244683 1034479519 /nfs/dbraw/zinc/47/95/19/1034479519.db2.gz KDCSNUMHZKVTLQ-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@H]1c1ccccc1 ZINC000340244683 1034479525 /nfs/dbraw/zinc/47/95/25/1034479525.db2.gz KDCSNUMHZKVTLQ-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@H]1c1ccccc1 ZINC000340393066 1034498823 /nfs/dbraw/zinc/49/88/23/1034498823.db2.gz JANRUPFHGYBUDP-PMACEKPBSA-N 2 1 335.495 3.928 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@H]1c1ccccc1 ZINC000340393066 1034498828 /nfs/dbraw/zinc/49/88/28/1034498828.db2.gz JANRUPFHGYBUDP-PMACEKPBSA-N 2 1 335.495 3.928 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480671 1034920592 /nfs/dbraw/zinc/92/05/92/1034920592.db2.gz XCQFTJBGADTGDE-NVXWUHKLSA-N 2 1 342.405 3.592 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925141 1034950027 /nfs/dbraw/zinc/95/00/27/1034950027.db2.gz HQJCOVVJUFOVAB-QUCCMNQESA-N 2 1 344.547 3.662 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925141 1034950036 /nfs/dbraw/zinc/95/00/36/1034950036.db2.gz HQJCOVVJUFOVAB-QUCCMNQESA-N 2 1 344.547 3.662 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375964382 1035025931 /nfs/dbraw/zinc/02/59/31/1035025931.db2.gz XABJEXHFPPSNCD-ACRUOGEOSA-N 2 1 330.516 3.693 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000376079529 1035227950 /nfs/dbraw/zinc/22/79/50/1035227950.db2.gz HKMFCIJCHJTCAT-VQTJNVASSA-N 2 1 340.515 3.688 20 0 EHADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472472422 1035298514 /nfs/dbraw/zinc/29/85/14/1035298514.db2.gz WZPAZQASOOFMSH-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472472422 1035298519 /nfs/dbraw/zinc/29/85/19/1035298519.db2.gz WZPAZQASOOFMSH-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472472422 1035298526 /nfs/dbraw/zinc/29/85/26/1035298526.db2.gz WZPAZQASOOFMSH-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000414078950 1035454812 /nfs/dbraw/zinc/45/48/12/1035454812.db2.gz BNERDFLVKQTTRH-LQWHRVPQSA-N 2 1 348.531 3.791 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc3ccccc3c2)[C@H](C)C1 ZINC000429785726 1035520312 /nfs/dbraw/zinc/52/03/12/1035520312.db2.gz RYIVWSIFFGGCMV-UTKZUKDTSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc3ccccc3c2)[C@H](C)C1 ZINC000429785726 1035520326 /nfs/dbraw/zinc/52/03/26/1035520326.db2.gz RYIVWSIFFGGCMV-UTKZUKDTSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc3ccccc3c2)[C@H](C)C1 ZINC000429785726 1035520343 /nfs/dbraw/zinc/52/03/43/1035520343.db2.gz RYIVWSIFFGGCMV-UTKZUKDTSA-N 2 1 326.484 3.881 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000540660745 1035551885 /nfs/dbraw/zinc/55/18/85/1035551885.db2.gz WTALFPYDQZQHKN-OXJNMPFZSA-N 2 1 342.527 3.987 20 0 EHADMP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1([NH+]2CCCCC2)CCCCC1 ZINC000534798491 1035628604 /nfs/dbraw/zinc/62/86/04/1035628604.db2.gz PQLJGBACODBYBQ-IPMKNSEASA-N 2 1 332.532 3.722 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000414177031 1035910499 /nfs/dbraw/zinc/91/04/99/1035910499.db2.gz IUKKOVDPEZGDCG-CJNGLKHVSA-N 2 1 341.421 3.799 20 0 EHADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688472 1035973940 /nfs/dbraw/zinc/97/39/40/1035973940.db2.gz KPQMSRYYTYRWHW-RTWAWAEBSA-N 2 1 326.484 3.529 20 0 EHADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688472 1035973946 /nfs/dbraw/zinc/97/39/46/1035973946.db2.gz KPQMSRYYTYRWHW-RTWAWAEBSA-N 2 1 326.484 3.529 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[C@H]3CCOC3)CC23CC3)cc1 ZINC000572157458 1035991764 /nfs/dbraw/zinc/99/17/64/1035991764.db2.gz WTOPCWHEGLGOFX-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@H]3CCOC3)CC23CC3)cc1 ZINC000572157458 1035991779 /nfs/dbraw/zinc/99/17/79/1035991779.db2.gz WTOPCWHEGLGOFX-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000189088683 1036015974 /nfs/dbraw/zinc/01/59/74/1036015974.db2.gz YDZCLCGRPQXSRM-YQQQUEKLSA-N 2 1 325.431 3.506 20 0 EHADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000189088683 1036015995 /nfs/dbraw/zinc/01/59/95/1036015995.db2.gz YDZCLCGRPQXSRM-YQQQUEKLSA-N 2 1 325.431 3.506 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCCC4)CC2)oc1C ZINC000189121460 1036040475 /nfs/dbraw/zinc/04/04/75/1036040475.db2.gz OBYYASNZESUKLK-GOSISDBHSA-N 2 1 331.504 3.816 20 0 EHADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000549040983 1036178767 /nfs/dbraw/zinc/17/87/67/1036178767.db2.gz TZPXRHUSDTVSAU-PZJWPPBQSA-N 2 1 330.516 3.818 20 0 EHADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000549040982 1036179607 /nfs/dbraw/zinc/17/96/07/1036179607.db2.gz TZPXRHUSDTVSAU-FPOVZHCZSA-N 2 1 330.516 3.818 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000414245556 1036261042 /nfs/dbraw/zinc/26/10/42/1036261042.db2.gz UATOTSXXPJUCSD-CNFLGBHRSA-N 2 1 342.527 3.975 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1 ZINC000191060637 1036333725 /nfs/dbraw/zinc/33/37/25/1036333725.db2.gz WLYHQDGKPWUSOW-FOIQADDNSA-N 2 1 327.472 3.773 20 0 EHADMP C[C@@H]1C[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@H](C)O1 ZINC000414272791 1036396412 /nfs/dbraw/zinc/39/64/12/1036396412.db2.gz YLWCYKASHAXSLM-XSLXLRSOSA-N 2 1 330.516 3.833 20 0 EHADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)c1cccc(O)c1 ZINC000542463972 1036401564 /nfs/dbraw/zinc/40/15/64/1036401564.db2.gz IUKZXSBYNVJDIW-INIZCTEOSA-N 2 1 336.439 3.864 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000541546706 1036426221 /nfs/dbraw/zinc/42/62/21/1036426221.db2.gz JVWLCWGPBBIRNS-TWFHAPMSSA-N 2 1 330.516 3.822 20 0 EHADMP COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(-n2ccnc2)cc1C ZINC000192072016 1036462687 /nfs/dbraw/zinc/46/26/87/1036462687.db2.gz MJHLNIPCJNVKNQ-UHFFFAOYSA-N 2 1 339.439 3.731 20 0 EHADMP COCCN(Cc1ccc(C)o1)Cc1ccc(-n2ccnc2)cc1C ZINC000192072016 1036462699 /nfs/dbraw/zinc/46/26/99/1036462699.db2.gz MJHLNIPCJNVKNQ-UHFFFAOYSA-N 2 1 339.439 3.731 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000192175972 1036484867 /nfs/dbraw/zinc/48/48/67/1036484867.db2.gz DSFAHQLDXGWKOU-HNNXBMFYSA-N 2 1 326.469 3.873 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000414292155 1036502345 /nfs/dbraw/zinc/50/23/45/1036502345.db2.gz AJMKZETZRVYQSY-FFGOWVMKSA-N 2 1 328.500 3.729 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000192630940 1036518721 /nfs/dbraw/zinc/51/87/21/1036518721.db2.gz JOKIVOCHNXVESK-FRIKZZABSA-N 2 1 341.543 3.633 20 0 EHADMP CC1CC[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000192630940 1036518738 /nfs/dbraw/zinc/51/87/38/1036518738.db2.gz JOKIVOCHNXVESK-FRIKZZABSA-N 2 1 341.543 3.633 20 0 EHADMP CC1CC[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000192630940 1036518756 /nfs/dbraw/zinc/51/87/56/1036518756.db2.gz JOKIVOCHNXVESK-FRIKZZABSA-N 2 1 341.543 3.633 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192675183 1036536539 /nfs/dbraw/zinc/53/65/39/1036536539.db2.gz IRWYHAIULTVRJI-FRIKZZABSA-N 3 1 341.543 3.633 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192675183 1036536548 /nfs/dbraw/zinc/53/65/48/1036536548.db2.gz IRWYHAIULTVRJI-FRIKZZABSA-N 2 1 341.543 3.633 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192675183 1036536556 /nfs/dbraw/zinc/53/65/56/1036536556.db2.gz IRWYHAIULTVRJI-FRIKZZABSA-N 2 1 341.543 3.633 20 0 EHADMP CCOC1CC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000509372574 1036540201 /nfs/dbraw/zinc/54/02/01/1036540201.db2.gz NEUVPTNUKNUJFH-XLCOUGHXSA-N 2 1 342.527 3.788 20 0 EHADMP CCOC1CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000509372574 1036540209 /nfs/dbraw/zinc/54/02/09/1036540209.db2.gz NEUVPTNUKNUJFH-XLCOUGHXSA-N 2 1 342.527 3.788 20 0 EHADMP CCOC1CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000509372574 1036540224 /nfs/dbraw/zinc/54/02/24/1036540224.db2.gz NEUVPTNUKNUJFH-XLCOUGHXSA-N 2 1 342.527 3.788 20 0 EHADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCC(F)(F)F)c1 ZINC000192946547 1036568731 /nfs/dbraw/zinc/56/87/31/1036568731.db2.gz VDIJAKCRSRTTCC-MQVJKMGUSA-N 2 1 342.405 3.651 20 0 EHADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCC(F)(F)F)c1 ZINC000192946547 1036568743 /nfs/dbraw/zinc/56/87/43/1036568743.db2.gz VDIJAKCRSRTTCC-MQVJKMGUSA-N 2 1 342.405 3.651 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CCCC2)o1 ZINC000541732522 1036600932 /nfs/dbraw/zinc/60/09/32/1036600932.db2.gz NJXKCTGJYAOYHG-ICSRJNTNSA-N 2 1 334.504 3.646 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000310380977 1036823333 /nfs/dbraw/zinc/82/33/33/1036823333.db2.gz RBRGWOIRCMXSBH-KRWDZBQOSA-N 2 1 342.483 3.877 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000310380977 1036823353 /nfs/dbraw/zinc/82/33/53/1036823353.db2.gz RBRGWOIRCMXSBH-KRWDZBQOSA-N 2 1 342.483 3.877 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541917705 1036840384 /nfs/dbraw/zinc/84/03/84/1036840384.db2.gz WHFJJTNQIOUBAY-GHTZIAJQSA-N 2 1 330.516 3.868 20 0 EHADMP C[C@H]([NH2+]CCCc1cccc(Br)c1)c1c[nH+]ccc1N ZINC000643469315 1037021329 /nfs/dbraw/zinc/02/13/29/1037021329.db2.gz JUCPTMCRNHVEON-LBPRGKRZSA-N 2 1 334.261 3.540 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000472600270 1037054096 /nfs/dbraw/zinc/05/40/96/1037054096.db2.gz VJZGHSHZVDXSBP-UHFFFAOYSA-N 2 1 328.378 3.645 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2ncccc12 ZINC000647543594 1037094580 /nfs/dbraw/zinc/09/45/80/1037094580.db2.gz PXUKHZDKPHCJJD-HOTGVXAUSA-N 2 1 327.447 3.586 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145805 1037105270 /nfs/dbraw/zinc/10/52/70/1037105270.db2.gz HKHIBUQJLBJMAT-CTNGQTDRSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000542145805 1037105282 /nfs/dbraw/zinc/10/52/82/1037105282.db2.gz HKHIBUQJLBJMAT-CTNGQTDRSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145805 1037105289 /nfs/dbraw/zinc/10/52/89/1037105289.db2.gz HKHIBUQJLBJMAT-CTNGQTDRSA-N 2 1 343.559 3.750 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000542150328 1037116681 /nfs/dbraw/zinc/11/66/81/1037116681.db2.gz DSCWGLKNSOWUPO-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccnn1-c1ccccc1 ZINC000467314150 1037152364 /nfs/dbraw/zinc/15/23/64/1037152364.db2.gz SUKUXPDPRCMCDP-ZWKOTPCHSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccnn1-c1ccccc1 ZINC000467314150 1037152369 /nfs/dbraw/zinc/15/23/69/1037152369.db2.gz SUKUXPDPRCMCDP-ZWKOTPCHSA-N 2 1 326.488 3.787 20 0 EHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000542280606 1037241140 /nfs/dbraw/zinc/24/11/40/1037241140.db2.gz ZOIDTKORPOMZDR-UGKGYDQZSA-N 2 1 343.559 3.971 20 0 EHADMP C[N@@H+](Cc1ccc(Br)c2cccnc12)C1CCC([NH3+])CC1 ZINC000166546096 1037248855 /nfs/dbraw/zinc/24/88/55/1037248855.db2.gz VXDJBKRKEYKULR-UHFFFAOYSA-N 2 1 348.288 3.699 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000591164554 1037254407 /nfs/dbraw/zinc/25/44/07/1037254407.db2.gz MZNXZUDHAYFEFN-HXUWFJFHSA-N 2 1 343.515 3.876 20 0 EHADMP COCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000462683188 1037277427 /nfs/dbraw/zinc/27/74/27/1037277427.db2.gz YKEQJTXGZHBTGV-UHFFFAOYSA-N 2 1 338.495 3.630 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000573124052 1037293713 /nfs/dbraw/zinc/29/37/13/1037293713.db2.gz SFHFRYNNFOEDHS-QZTJIDSGSA-N 2 1 337.467 3.695 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000532448038 1037309719 /nfs/dbraw/zinc/30/97/19/1037309719.db2.gz NNNMIOOQAQEGFA-CBGDNZLLSA-N 2 1 342.483 3.815 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000532448041 1037309855 /nfs/dbraw/zinc/30/98/55/1037309855.db2.gz NNNMIOOQAQEGFA-WWMYMODYSA-N 2 1 342.483 3.815 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000539899646 1037337114 /nfs/dbraw/zinc/33/71/14/1037337114.db2.gz IKCIEQPJSGDYNA-RTWAWAEBSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000539899646 1037337131 /nfs/dbraw/zinc/33/71/31/1037337131.db2.gz IKCIEQPJSGDYNA-RTWAWAEBSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000539899646 1037337142 /nfs/dbraw/zinc/33/71/42/1037337142.db2.gz IKCIEQPJSGDYNA-RTWAWAEBSA-N 2 1 344.543 3.893 20 0 EHADMP CC(C)c1ccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000470297087 1037338089 /nfs/dbraw/zinc/33/80/89/1037338089.db2.gz LFZNRDKRBMHNCO-UHFFFAOYSA-N 2 1 344.543 3.977 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461387 1037347947 /nfs/dbraw/zinc/34/79/47/1037347947.db2.gz MTQNVQQRCQVSBN-YAJHFMINSA-N 2 1 349.950 3.795 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)C[C@@H]1c1ccccc1 ZINC000423420480 1037348943 /nfs/dbraw/zinc/34/89/43/1037348943.db2.gz XFBRIFICYNNYIC-DENIHFKCSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)C[C@@H]1c1ccccc1 ZINC000423420480 1037348960 /nfs/dbraw/zinc/34/89/60/1037348960.db2.gz XFBRIFICYNNYIC-DENIHFKCSA-N 2 1 335.495 3.970 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000532463003 1037374925 /nfs/dbraw/zinc/37/49/25/1037374925.db2.gz GXEONJGKXUHEIG-CPUCHLNUSA-N 2 1 328.422 3.956 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789266 1037400752 /nfs/dbraw/zinc/40/07/52/1037400752.db2.gz FJBAUOHEWMNVQP-ROUUACIJSA-N 2 1 332.488 3.604 20 0 EHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532537329 1037565222 /nfs/dbraw/zinc/56/52/22/1037565222.db2.gz APDNSMMXRGAILM-UHFFFAOYSA-N 2 1 349.494 3.515 20 0 EHADMP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000415946573 1037700354 /nfs/dbraw/zinc/70/03/54/1037700354.db2.gz UJDNUFOAERCASE-UHFFFAOYSA-N 2 1 346.519 3.572 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000540222831 1037722734 /nfs/dbraw/zinc/72/27/34/1037722734.db2.gz WHGVFVVVNBDOML-FKVLARQCSA-N 2 1 344.543 3.938 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082403 1037726225 /nfs/dbraw/zinc/72/62/25/1037726225.db2.gz NGTGRRDGJPABBZ-PXNSSMCTSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082403 1037726243 /nfs/dbraw/zinc/72/62/43/1037726243.db2.gz NGTGRRDGJPABBZ-PXNSSMCTSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463088828 1037751193 /nfs/dbraw/zinc/75/11/93/1037751193.db2.gz YKEDKSHRXFEFRK-SIKLNZKXSA-N 2 1 344.543 3.878 20 0 EHADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000897451525 1037752171 /nfs/dbraw/zinc/75/21/71/1037752171.db2.gz OJQONMWBDOZPFV-UHFFFAOYSA-N 2 1 344.543 3.736 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000573812651 1037757534 /nfs/dbraw/zinc/75/75/34/1037757534.db2.gz AEQZIVGTNSZZBW-UHFFFAOYSA-N 2 1 341.377 3.776 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463139990 1037805652 /nfs/dbraw/zinc/80/56/52/1037805652.db2.gz FOIRPHLLYWWDSC-UHFFFAOYSA-N 2 1 337.939 3.624 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[NH+](CC[C@H]4CCCC[N@@H+]4C)C3)nc2c1 ZINC000540321935 1037815721 /nfs/dbraw/zinc/81/57/21/1037815721.db2.gz XLFDKLALFAMLOZ-QZTJIDSGSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321935 1037815740 /nfs/dbraw/zinc/81/57/40/1037815740.db2.gz XLFDKLALFAMLOZ-QZTJIDSGSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321935 1037815750 /nfs/dbraw/zinc/81/57/50/1037815750.db2.gz XLFDKLALFAMLOZ-QZTJIDSGSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@H]4CCCC[N@H+]4C)C3)[nH]c2c1 ZINC000540321935 1037815765 /nfs/dbraw/zinc/81/57/65/1037815765.db2.gz XLFDKLALFAMLOZ-QZTJIDSGSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@H]4CCCC[N@@H+]4C)C3)[nH]c2c1 ZINC000540321935 1037815779 /nfs/dbraw/zinc/81/57/79/1037815779.db2.gz XLFDKLALFAMLOZ-QZTJIDSGSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321935 1037815789 /nfs/dbraw/zinc/81/57/89/1037815789.db2.gz XLFDKLALFAMLOZ-QZTJIDSGSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321935 1037815801 /nfs/dbraw/zinc/81/58/01/1037815801.db2.gz XLFDKLALFAMLOZ-QZTJIDSGSA-N 2 1 340.515 3.925 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183154308 1037931659 /nfs/dbraw/zinc/93/16/59/1037931659.db2.gz QBHKWUOBHXYLHC-QHAWAJNXSA-N 2 1 342.527 3.693 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000540493084 1038013552 /nfs/dbraw/zinc/01/35/52/1038013552.db2.gz SMGUBJQGLUOHCM-QFIPXVFZSA-N 2 1 343.559 3.925 20 0 EHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000897469595 1038110413 /nfs/dbraw/zinc/11/04/13/1038110413.db2.gz NAQODCRHMFKRJO-RJCAOGMDSA-N 2 1 337.305 3.767 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000125518392 1038338877 /nfs/dbraw/zinc/33/88/77/1038338877.db2.gz OZGVCAPZEUYEJM-UHFFFAOYSA-N 2 1 331.435 3.654 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCc2ccccn2)CC3)cc1 ZINC000378302032 1038423549 /nfs/dbraw/zinc/42/35/49/1038423549.db2.gz SQFSBGFTRJGOCX-UHFFFAOYSA-N 2 1 335.495 3.612 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@@H](C)C1 ZINC000538737922 1038503133 /nfs/dbraw/zinc/50/31/33/1038503133.db2.gz LDGRKXLQKMJMOM-HKUYNNGSSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@@H](C)C1 ZINC000538737922 1038503138 /nfs/dbraw/zinc/50/31/38/1038503138.db2.gz LDGRKXLQKMJMOM-HKUYNNGSSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@@H](C)C1 ZINC000538737922 1038503146 /nfs/dbraw/zinc/50/31/46/1038503146.db2.gz LDGRKXLQKMJMOM-HKUYNNGSSA-N 2 1 348.531 3.892 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149571772 1038670529 /nfs/dbraw/zinc/67/05/29/1038670529.db2.gz LVOYBSOGFKLIPB-RYUDHWBXSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149571772 1038670531 /nfs/dbraw/zinc/67/05/31/1038670531.db2.gz LVOYBSOGFKLIPB-RYUDHWBXSA-N 2 1 341.268 3.723 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000431895510 1038914295 /nfs/dbraw/zinc/91/42/95/1038914295.db2.gz CQMATIXQKZRSIK-LJQANCHMSA-N 2 1 331.504 3.731 20 0 EHADMP COc1cc(F)c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000480041069 1039067364 /nfs/dbraw/zinc/06/73/64/1039067364.db2.gz QNRIWJYUUWGNQN-GFCCVEGCSA-N 2 1 338.467 3.803 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H]2CCC[C@@H]21 ZINC000552249980 1039093200 /nfs/dbraw/zinc/09/32/00/1039093200.db2.gz RLOKKCHGDUFYET-BPUTZDHNSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H]2CCC[C@@H]21 ZINC000552249980 1039093220 /nfs/dbraw/zinc/09/32/20/1039093220.db2.gz RLOKKCHGDUFYET-BPUTZDHNSA-N 2 1 341.268 3.551 20 0 EHADMP CC1(C)CC[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)O1 ZINC000485465699 1039109810 /nfs/dbraw/zinc/10/98/10/1039109810.db2.gz JCNCMQYCNVRAMQ-FQEVSTJZSA-N 2 1 342.527 3.932 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000552283898 1039136012 /nfs/dbraw/zinc/13/60/12/1039136012.db2.gz MCYNKCAPQAEIFL-CMOCDZPBSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000480094123 1039145370 /nfs/dbraw/zinc/14/53/70/1039145370.db2.gz OTXYEFAGPBFJFA-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000552280533 1039153271 /nfs/dbraw/zinc/15/32/71/1039153271.db2.gz KQGJYCRFSLDRQG-UHOSZYNNSA-N 2 1 328.500 3.579 20 0 EHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000488433393 1039177077 /nfs/dbraw/zinc/17/70/77/1039177077.db2.gz QZGDCTFWORIVOZ-RBUKOAKNSA-N 2 1 348.556 3.529 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898518983 1039189660 /nfs/dbraw/zinc/18/96/60/1039189660.db2.gz LRMFSLOWTDCWHJ-AABGKKOBSA-N 2 1 339.483 3.682 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518754 1039189805 /nfs/dbraw/zinc/18/98/05/1039189805.db2.gz LCWWBQRSPPUAPC-OQEHDIDLSA-N 2 1 342.527 3.834 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000552356333 1039206447 /nfs/dbraw/zinc/20/64/47/1039206447.db2.gz NVUPWXPHFYONBY-NRFANRHFSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000552356333 1039206457 /nfs/dbraw/zinc/20/64/57/1039206457.db2.gz NVUPWXPHFYONBY-NRFANRHFSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000552356333 1039206473 /nfs/dbraw/zinc/20/64/73/1039206473.db2.gz NVUPWXPHFYONBY-NRFANRHFSA-N 2 1 328.500 3.926 20 0 EHADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554372534 1039285571 /nfs/dbraw/zinc/28/55/71/1039285571.db2.gz NNCGPGONIMCPFU-SPOLIRPYSA-N 2 1 334.454 3.920 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584593853 1039351429 /nfs/dbraw/zinc/35/14/29/1039351429.db2.gz OFGYNGJGNQZPPN-HOTGVXAUSA-N 2 1 329.875 3.710 20 0 EHADMP CC[N@@H+](C)Cc1cccc(CNCc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194292983 1039351855 /nfs/dbraw/zinc/35/18/55/1039351855.db2.gz CNCIAIAFSCGZCD-UHFFFAOYSA-N 2 1 334.467 3.818 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194292983 1039351868 /nfs/dbraw/zinc/35/18/68/1039351868.db2.gz CNCIAIAFSCGZCD-UHFFFAOYSA-N 2 1 334.467 3.818 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194292983 1039351879 /nfs/dbraw/zinc/35/18/79/1039351879.db2.gz CNCIAIAFSCGZCD-UHFFFAOYSA-N 2 1 334.467 3.818 20 0 EHADMP COC1(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000480311808 1039418563 /nfs/dbraw/zinc/41/85/63/1039418563.db2.gz XALRXXRFFBLVAH-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP CCOC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001142599439 1039663831 /nfs/dbraw/zinc/66/38/31/1039663831.db2.gz ILYGKGHYVWNNIR-VQTJNVASSA-N 2 1 344.499 3.702 20 0 EHADMP CCOC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001142599439 1039663845 /nfs/dbraw/zinc/66/38/45/1039663845.db2.gz ILYGKGHYVWNNIR-VQTJNVASSA-N 2 1 344.499 3.702 20 0 EHADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000480609863 1039750418 /nfs/dbraw/zinc/75/04/18/1039750418.db2.gz KPFPTPBKFUZMLG-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000480609863 1039750441 /nfs/dbraw/zinc/75/04/41/1039750441.db2.gz KPFPTPBKFUZMLG-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000480615552 1039757707 /nfs/dbraw/zinc/75/77/07/1039757707.db2.gz POVGBBMPZRCUCT-QRVBRYPASA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCCC[C@H]1C ZINC000480615552 1039757719 /nfs/dbraw/zinc/75/77/19/1039757719.db2.gz POVGBBMPZRCUCT-QRVBRYPASA-N 2 1 347.547 3.541 20 0 EHADMP Brc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047968362 1039766135 /nfs/dbraw/zinc/76/61/35/1039766135.db2.gz LUURQBPDDMZVFN-UHFFFAOYSA-N 2 1 337.305 3.757 20 0 EHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccs1 ZINC000480779051 1039999897 /nfs/dbraw/zinc/99/98/97/1039999897.db2.gz JSMDZOLIFJRZBZ-PKOBYXMFSA-N 2 1 343.540 3.778 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000480846931 1040084653 /nfs/dbraw/zinc/08/46/53/1040084653.db2.gz UFFUDPWCSVDJEP-HXUWFJFHSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905438 1040137660 /nfs/dbraw/zinc/13/76/60/1040137660.db2.gz ZZOJIRRBVDMBEP-RZUBCFFCSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905438 1040137668 /nfs/dbraw/zinc/13/76/68/1040137668.db2.gz ZZOJIRRBVDMBEP-RZUBCFFCSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905438 1040137674 /nfs/dbraw/zinc/13/76/74/1040137674.db2.gz ZZOJIRRBVDMBEP-RZUBCFFCSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905438 1040137683 /nfs/dbraw/zinc/13/76/83/1040137683.db2.gz ZZOJIRRBVDMBEP-RZUBCFFCSA-N 2 1 343.559 3.609 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000310875841 1040312269 /nfs/dbraw/zinc/31/22/69/1040312269.db2.gz GWVHXNQYGJXNFM-NHCUHLMSSA-N 2 1 342.527 3.838 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168187 1040381417 /nfs/dbraw/zinc/38/14/17/1040381417.db2.gz SFMSUHQCEJQQHF-IERDGZPVSA-N 2 1 342.458 3.855 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168187 1040381432 /nfs/dbraw/zinc/38/14/32/1040381432.db2.gz SFMSUHQCEJQQHF-IERDGZPVSA-N 2 1 342.458 3.855 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000490227231 1040409363 /nfs/dbraw/zinc/40/93/63/1040409363.db2.gz MYOXDWVGPKCKGA-CEXWTWQISA-N 2 1 345.531 3.859 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512661737 1040448601 /nfs/dbraw/zinc/44/86/01/1040448601.db2.gz TYCYPLALVGYTEI-YTFSRNRJSA-N 2 1 349.522 3.823 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CCCO1 ZINC000433031271 1040504811 /nfs/dbraw/zinc/50/48/11/1040504811.db2.gz NINQJIQAKOAQNO-ZJRDLVKKSA-N 2 1 346.515 3.509 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CCCO1 ZINC000433031271 1040504829 /nfs/dbraw/zinc/50/48/29/1040504829.db2.gz NINQJIQAKOAQNO-ZJRDLVKKSA-N 2 1 346.515 3.509 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000411213144 1040564201 /nfs/dbraw/zinc/56/42/01/1040564201.db2.gz BXNZYVMUNJQXPI-GQSCTRQFSA-N 2 1 346.490 3.503 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)C[NH+]1CCCC1 ZINC000481324156 1040686315 /nfs/dbraw/zinc/68/63/15/1040686315.db2.gz QJLQHRNDOYSHPT-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000262341538 1040741131 /nfs/dbraw/zinc/74/11/31/1040741131.db2.gz UHUSFXLNZRWGGR-UHFFFAOYSA-N 2 1 332.822 3.763 20 0 EHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000481560500 1041076824 /nfs/dbraw/zinc/07/68/24/1041076824.db2.gz XBNNBRKGBMMDPY-CEXWTWQISA-N 2 1 335.580 3.740 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3c2CCCC3)no1 ZINC001212145398 1041168607 /nfs/dbraw/zinc/16/86/07/1041168607.db2.gz SMMRFWBJPMEEEY-SFHVURJKSA-N 2 1 342.487 3.784 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3ncsc3c2)no1 ZINC001212145537 1041178386 /nfs/dbraw/zinc/17/83/86/1041178386.db2.gz VVDKRJHMJLFWKT-ZDUSSCGKSA-N 2 1 345.472 3.514 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000512965058 1041308423 /nfs/dbraw/zinc/30/84/23/1041308423.db2.gz YQNQOSVLGAXUCN-MJGOQNOKSA-N 2 1 346.515 3.751 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000512965058 1041308435 /nfs/dbraw/zinc/30/84/35/1041308435.db2.gz YQNQOSVLGAXUCN-MJGOQNOKSA-N 2 1 346.515 3.751 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cn1 ZINC000800223510 1041980644 /nfs/dbraw/zinc/98/06/44/1041980644.db2.gz FCVYIAYHQBMDJX-AZUAARDMSA-N 2 1 347.466 3.787 20 0 EHADMP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806559 1042141048 /nfs/dbraw/zinc/14/10/48/1042141048.db2.gz NPESVDWZANWSEA-SFHVURJKSA-N 2 1 343.515 3.602 20 0 EHADMP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000652149815 1042240829 /nfs/dbraw/zinc/24/08/29/1042240829.db2.gz BIHHWLJJXKUXTL-HXUWFJFHSA-N 2 1 335.511 3.530 20 0 EHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC001143519471 1042407690 /nfs/dbraw/zinc/40/76/90/1042407690.db2.gz NCBSMGGHCSQRMG-UHFFFAOYSA-N 2 1 342.405 3.632 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC(F)CC1 ZINC000661999130 1042453955 /nfs/dbraw/zinc/45/39/55/1042453955.db2.gz RJWGLXWENRCMMP-DZIBYMRMSA-N 2 1 334.479 3.525 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@@H](C)C1 ZINC000245799510 1042502491 /nfs/dbraw/zinc/50/24/91/1042502491.db2.gz XOUOWPQFDQDZPP-KSSFIOAISA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@@H](C)C1 ZINC000245799510 1042502495 /nfs/dbraw/zinc/50/24/95/1042502495.db2.gz XOUOWPQFDQDZPP-KSSFIOAISA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@@H](C)C1 ZINC000245799510 1042502498 /nfs/dbraw/zinc/50/24/98/1042502498.db2.gz XOUOWPQFDQDZPP-KSSFIOAISA-N 2 1 346.906 3.892 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CSc2ccccc2OC)[C@@H](C)C1 ZINC000246505571 1042511191 /nfs/dbraw/zinc/51/11/91/1042511191.db2.gz SWCBGLGLUHOKRL-IKGGRYGDSA-N 2 1 336.545 3.743 20 0 EHADMP CCOC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000248881344 1042529727 /nfs/dbraw/zinc/52/97/27/1042529727.db2.gz KWCQGYYYBXGLHS-WOZUAGRISA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccnn1C ZINC000249039649 1042532016 /nfs/dbraw/zinc/53/20/16/1042532016.db2.gz UJNRXEPGXYMUGY-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254289 1042638289 /nfs/dbraw/zinc/63/82/89/1042638289.db2.gz GVOPMWKEQUMEBW-XJKSGUPXSA-N 2 1 342.405 3.609 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000662270457 1042648641 /nfs/dbraw/zinc/64/86/41/1042648641.db2.gz KYHFJVDIERMQGR-GHTZIAJQSA-N 2 1 339.483 3.724 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662284910 1042658608 /nfs/dbraw/zinc/65/86/08/1042658608.db2.gz QOLVZSLBQRHAQW-ZCNNSNEGSA-N 2 1 330.516 3.845 20 0 EHADMP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000662294697 1042664155 /nfs/dbraw/zinc/66/41/55/1042664155.db2.gz RZWDJWLQUZFFJF-MRXNPFEDSA-N 2 1 343.446 3.692 20 0 EHADMP c1cc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)co1 ZINC000662291977 1042665167 /nfs/dbraw/zinc/66/51/67/1042665167.db2.gz BMFVXLOMVOQKGP-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000662306094 1042673190 /nfs/dbraw/zinc/67/31/90/1042673190.db2.gz XFWMQZAILVMOKN-TYABSZSSSA-N 2 1 348.490 3.907 20 0 EHADMP Brc1cc2c(s1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662309670 1042678630 /nfs/dbraw/zinc/67/86/30/1042678630.db2.gz BTLOUZCLQVMPIX-UHFFFAOYSA-N 2 1 343.334 3.649 20 0 EHADMP Brc1cc2c(s1)CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662309670 1042678627 /nfs/dbraw/zinc/67/86/27/1042678627.db2.gz BTLOUZCLQVMPIX-UHFFFAOYSA-N 2 1 343.334 3.649 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000221911776 1042703219 /nfs/dbraw/zinc/70/32/19/1042703219.db2.gz IANXITXVQMRSOE-INIZCTEOSA-N 2 1 325.294 3.756 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000221917220 1042713255 /nfs/dbraw/zinc/71/32/55/1042713255.db2.gz WJRGVSRCWSZOKW-QGZVFWFLSA-N 2 1 339.321 3.626 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162625129 1042740263 /nfs/dbraw/zinc/74/02/63/1042740263.db2.gz HBOUDHXKEBXMBN-UHFFFAOYSA-N 3 1 332.536 3.560 20 0 EHADMP c1cc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000662505026 1042765412 /nfs/dbraw/zinc/76/54/12/1042765412.db2.gz XMYTZZPNISVPFV-HXUWFJFHSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]n1 ZINC000662505026 1042765417 /nfs/dbraw/zinc/76/54/17/1042765417.db2.gz XMYTZZPNISVPFV-HXUWFJFHSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]n1 ZINC000662505026 1042765419 /nfs/dbraw/zinc/76/54/19/1042765419.db2.gz XMYTZZPNISVPFV-HXUWFJFHSA-N 2 1 338.499 3.775 20 0 EHADMP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000631085190 1042883099 /nfs/dbraw/zinc/88/30/99/1042883099.db2.gz HNYZBOZQZVLPKY-UZLBHIALSA-N 2 1 339.483 3.541 20 0 EHADMP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000631085190 1042883106 /nfs/dbraw/zinc/88/31/06/1042883106.db2.gz HNYZBOZQZVLPKY-UZLBHIALSA-N 2 1 339.483 3.541 20 0 EHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466539 1042893299 /nfs/dbraw/zinc/89/32/99/1042893299.db2.gz VESSZUWTRZKBIK-DNVCBOLYSA-N 2 1 332.463 3.533 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001167827579 1042971827 /nfs/dbraw/zinc/97/18/27/1042971827.db2.gz XOYWHBDPPLQXNF-GOSISDBHSA-N 2 1 333.520 3.573 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[N@H+]1C1CC1 ZINC000390901558 1043048686 /nfs/dbraw/zinc/04/86/86/1043048686.db2.gz HZYRROVNBRBFPE-SLYNCCJLSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901558 1043048693 /nfs/dbraw/zinc/04/86/93/1043048693.db2.gz HZYRROVNBRBFPE-SLYNCCJLSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901558 1043048703 /nfs/dbraw/zinc/04/87/03/1043048703.db2.gz HZYRROVNBRBFPE-SLYNCCJLSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278960878 1043090628 /nfs/dbraw/zinc/09/06/28/1043090628.db2.gz MJJIFILXWHHDHU-KGLIPLIRSA-N 2 1 335.398 3.706 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432410812 1043112054 /nfs/dbraw/zinc/11/20/54/1043112054.db2.gz RYEDLSLCPIQQFN-CTNGQTDRSA-N 2 1 332.532 3.653 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432410812 1043112059 /nfs/dbraw/zinc/11/20/59/1043112059.db2.gz RYEDLSLCPIQQFN-CTNGQTDRSA-N 2 1 332.532 3.653 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H](C)CC(=O)OC ZINC001167841993 1043141539 /nfs/dbraw/zinc/14/15/39/1043141539.db2.gz VLFQYHASTPFIPI-RTBURBONSA-N 2 1 348.531 3.951 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCCO1 ZINC000432417016 1043142084 /nfs/dbraw/zinc/14/20/84/1043142084.db2.gz JYVISAUXVKRENM-HLAWJBBLSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCCO1 ZINC000432417016 1043142089 /nfs/dbraw/zinc/14/20/89/1043142089.db2.gz JYVISAUXVKRENM-HLAWJBBLSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000279004231 1043181198 /nfs/dbraw/zinc/18/11/98/1043181198.db2.gz RWOPLCNISDZCHX-ILXRZTDVSA-N 2 1 340.496 3.837 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107212 1043257704 /nfs/dbraw/zinc/25/77/04/1043257704.db2.gz QGUMFBICEQTBSO-NWDGAFQWSA-N 2 1 331.323 3.811 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344247350 1043511466 /nfs/dbraw/zinc/51/14/66/1043511466.db2.gz PEDCOKAUAWALMY-DBOLQNLKSA-N 2 1 343.515 3.544 20 0 EHADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000512188039 1043755503 /nfs/dbraw/zinc/75/55/03/1043755503.db2.gz UZEYKWCCVWUHDI-KDURUIRLSA-N 2 1 330.516 3.625 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000162797738 1043786721 /nfs/dbraw/zinc/78/67/21/1043786721.db2.gz CUVIQJQZHXLZOP-KRWDZBQOSA-N 2 1 338.455 3.993 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000162797738 1043786732 /nfs/dbraw/zinc/78/67/32/1043786732.db2.gz CUVIQJQZHXLZOP-KRWDZBQOSA-N 2 1 338.455 3.993 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000187190785 1043896237 /nfs/dbraw/zinc/89/62/37/1043896237.db2.gz LWYDUEQLYJOHQK-IEBWSBKVSA-N 2 1 348.556 3.667 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCCO4)[C@H]3C2)cc1 ZINC000512297690 1044562959 /nfs/dbraw/zinc/56/29/59/1044562959.db2.gz ZXOPCKLLCMJFES-CMOCDZPBSA-N 2 1 342.527 3.836 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C12CCCC2 ZINC000512335090 1044760441 /nfs/dbraw/zinc/76/04/41/1044760441.db2.gz CBCAJALKTSRVPA-IZBJGVDFSA-N 2 1 334.548 3.967 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000307964249 1125677434 /nfs/dbraw/zinc/67/74/34/1125677434.db2.gz BKZHZKRLUWIUAV-JXFKEZNVSA-N 2 1 340.515 3.663 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000307964249 1125677437 /nfs/dbraw/zinc/67/74/37/1125677437.db2.gz BKZHZKRLUWIUAV-JXFKEZNVSA-N 2 1 340.515 3.663 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(Oc3cccc(F)c3)nc2)CC1(C)C ZINC000623387852 1126941344 /nfs/dbraw/zinc/94/13/44/1126941344.db2.gz YTXPPVUOUVXKLX-QGZVFWFLSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1(C)C ZINC000623387852 1126941348 /nfs/dbraw/zinc/94/13/48/1126941348.db2.gz YTXPPVUOUVXKLX-QGZVFWFLSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1(C)C ZINC000623387852 1126941351 /nfs/dbraw/zinc/94/13/51/1126941351.db2.gz YTXPPVUOUVXKLX-QGZVFWFLSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@H]1c1cccs1 ZINC000623429454 1126953639 /nfs/dbraw/zinc/95/36/39/1126953639.db2.gz DNUFLZFZLUOBLT-BEFAXECRSA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@H]1c1cccs1 ZINC000623429454 1126953642 /nfs/dbraw/zinc/95/36/42/1126953642.db2.gz DNUFLZFZLUOBLT-BEFAXECRSA-N 2 1 340.496 3.797 20 0 EHADMP CN1CC[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC1(C)C ZINC000623428633 1126953755 /nfs/dbraw/zinc/95/37/55/1126953755.db2.gz SJFJBXPDDXPHSS-HNNXBMFYSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC1(C)C ZINC000623428633 1126953760 /nfs/dbraw/zinc/95/37/60/1126953760.db2.gz SJFJBXPDDXPHSS-HNNXBMFYSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC1(C)C ZINC000623428633 1126953763 /nfs/dbraw/zinc/95/37/63/1126953763.db2.gz SJFJBXPDDXPHSS-HNNXBMFYSA-N 2 1 337.305 3.901 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1(C)C ZINC000623429765 1126954097 /nfs/dbraw/zinc/95/40/97/1126954097.db2.gz ONLDCCHWNAMMJM-RYRKJORJSA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1cccs1 ZINC000623429765 1126954100 /nfs/dbraw/zinc/95/41/00/1126954100.db2.gz ONLDCCHWNAMMJM-RYRKJORJSA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1cccs1 ZINC000623429765 1126954102 /nfs/dbraw/zinc/95/41/02/1126954102.db2.gz ONLDCCHWNAMMJM-RYRKJORJSA-N 2 1 335.561 3.593 20 0 EHADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447049 1126958062 /nfs/dbraw/zinc/95/80/62/1126958062.db2.gz BAJMPDJOSGFFSQ-HIFRSBDPSA-N 2 1 339.321 3.843 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n(-c2ccccc2)n1 ZINC000623469017 1126962255 /nfs/dbraw/zinc/96/22/55/1126962255.db2.gz NEMWSTQUROTZEJ-FUHWJXTLSA-N 2 1 340.515 3.574 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623511774 1126970519 /nfs/dbraw/zinc/97/05/19/1126970519.db2.gz DMWVUJJXTNXSDY-HNNXBMFYSA-N 2 1 344.421 3.633 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180550261 1127170989 /nfs/dbraw/zinc/17/09/89/1127170989.db2.gz VPFNRFYJRFUZLR-INIZCTEOSA-N 2 1 335.923 3.714 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623923406 1127217265 /nfs/dbraw/zinc/21/72/65/1127217265.db2.gz ADDNBVFMBRPJCI-MMKMLUHNSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123537 1127256954 /nfs/dbraw/zinc/25/69/54/1127256954.db2.gz NTPZFLAYBCJYQJ-GJZGRUSLSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC3 ZINC000624122731 1127257146 /nfs/dbraw/zinc/25/71/46/1127257146.db2.gz ZSTSHYMLVHDMLT-IAGOWNOFSA-N 2 1 325.500 3.655 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccccc2Br)CC[N@@H+]1C ZINC000181946770 1127303767 /nfs/dbraw/zinc/30/37/67/1127303767.db2.gz YHKYFJUGYXUDFH-HOCLYGCPSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccccc2Br)CC[N@H+]1C ZINC000181946770 1127303770 /nfs/dbraw/zinc/30/37/70/1127303770.db2.gz YHKYFJUGYXUDFH-HOCLYGCPSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946770 1127303772 /nfs/dbraw/zinc/30/37/72/1127303772.db2.gz YHKYFJUGYXUDFH-HOCLYGCPSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946770 1127303775 /nfs/dbraw/zinc/30/37/75/1127303775.db2.gz YHKYFJUGYXUDFH-HOCLYGCPSA-N 2 1 339.321 3.796 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1Br ZINC000182113270 1127312534 /nfs/dbraw/zinc/31/25/34/1127312534.db2.gz FPZWXYJFFJPJKY-GXTWGEPZSA-N 2 1 341.293 3.593 20 0 EHADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222600 1127396734 /nfs/dbraw/zinc/39/67/34/1127396734.db2.gz NQPLJUGPJSSVNT-AEFFLSMTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222600 1127396737 /nfs/dbraw/zinc/39/67/37/1127396737.db2.gz NQPLJUGPJSSVNT-AEFFLSMTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222600 1127396742 /nfs/dbraw/zinc/39/67/42/1127396742.db2.gz NQPLJUGPJSSVNT-AEFFLSMTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222600 1127396746 /nfs/dbraw/zinc/39/67/46/1127396746.db2.gz NQPLJUGPJSSVNT-AEFFLSMTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@]1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1(Cl)Cl ZINC000829322040 1127436760 /nfs/dbraw/zinc/43/67/60/1127436760.db2.gz NHSLQRVLTBDODB-MRXNPFEDSA-N 2 1 342.314 3.983 20 0 EHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000193982881 1127449281 /nfs/dbraw/zinc/44/92/81/1127449281.db2.gz NHMPXYPKGFPXRW-ZBFHGGJFSA-N 2 1 328.422 3.958 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000921528688 1127670310 /nfs/dbraw/zinc/67/03/10/1127670310.db2.gz HNMFZHMSOZFQJG-KRWDZBQOSA-N 2 1 344.478 3.517 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1F ZINC000921589745 1127758168 /nfs/dbraw/zinc/75/81/68/1127758168.db2.gz OGJHCDLKZFUQDJ-RCCFBDPRSA-N 2 1 343.446 3.615 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000921608878 1127764147 /nfs/dbraw/zinc/76/41/47/1127764147.db2.gz WFZDYRHJWZPXLD-UHFFFAOYSA-N 2 1 334.895 3.756 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000921608878 1127764150 /nfs/dbraw/zinc/76/41/50/1127764150.db2.gz WFZDYRHJWZPXLD-UHFFFAOYSA-N 2 1 334.895 3.756 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)[C@H](C)C1 ZINC000624290036 1127786350 /nfs/dbraw/zinc/78/63/50/1127786350.db2.gz UPPJNGSFKHHAQZ-SJKOYZFVSA-N 2 1 337.870 3.823 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC[C@@H]2CCCCO2)CC3)cc1 ZINC000347541560 1128060290 /nfs/dbraw/zinc/06/02/90/1128060290.db2.gz NTWNPPHZCGQKDN-NRFANRHFSA-N 2 1 342.527 3.934 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000347564825 1128094723 /nfs/dbraw/zinc/09/47/23/1128094723.db2.gz KVEMDNBJRXPXLA-UHFFFAOYSA-N 2 1 338.561 3.935 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000060978651 1128117141 /nfs/dbraw/zinc/11/71/41/1128117141.db2.gz UZVWVTWUXCZNPQ-CALCHBBNSA-N 2 1 334.504 3.552 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000060978651 1128117143 /nfs/dbraw/zinc/11/71/43/1128117143.db2.gz UZVWVTWUXCZNPQ-CALCHBBNSA-N 2 1 334.504 3.552 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741448 1128178032 /nfs/dbraw/zinc/17/80/32/1128178032.db2.gz SAJHFOSXGFERSX-GJZGRUSLSA-N 2 1 331.460 3.839 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000067121215 1128234790 /nfs/dbraw/zinc/23/47/90/1128234790.db2.gz GGDZFMQECPRAJI-CYBMUJFWSA-N 2 1 332.822 3.761 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000067121215 1128234792 /nfs/dbraw/zinc/23/47/92/1128234792.db2.gz GGDZFMQECPRAJI-CYBMUJFWSA-N 2 1 332.822 3.761 20 0 EHADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073958521 1128332109 /nfs/dbraw/zinc/33/21/09/1128332109.db2.gz YCQFAHSWNYQLIW-UHFFFAOYSA-N 2 1 349.438 3.540 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765792162 1128369506 /nfs/dbraw/zinc/36/95/06/1128369506.db2.gz OMFSXTKKZCIFPE-IIDMSEBBSA-N 2 1 342.508 3.732 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765792162 1128369510 /nfs/dbraw/zinc/36/95/10/1128369510.db2.gz OMFSXTKKZCIFPE-IIDMSEBBSA-N 2 1 342.508 3.732 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168617663 1128449711 /nfs/dbraw/zinc/44/97/11/1128449711.db2.gz VMTQAGKEZFWDSE-BKZNIZDZSA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168617663 1128449709 /nfs/dbraw/zinc/44/97/09/1128449709.db2.gz VMTQAGKEZFWDSE-BKZNIZDZSA-N 2 1 344.499 3.520 20 0 EHADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622256 1128475071 /nfs/dbraw/zinc/47/50/71/1128475071.db2.gz IPAOJTUVFQBXNE-QZTJIDSGSA-N 2 1 326.912 3.718 20 0 EHADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622256 1128475074 /nfs/dbraw/zinc/47/50/74/1128475074.db2.gz IPAOJTUVFQBXNE-QZTJIDSGSA-N 2 1 326.912 3.718 20 0 EHADMP CCSc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461047 1128517792 /nfs/dbraw/zinc/51/77/92/1128517792.db2.gz NVDXSJSORPKQFJ-CGTJXYLNSA-N 2 1 334.529 3.517 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnn1C1CCC1 ZINC000921816898 1128784924 /nfs/dbraw/zinc/78/49/24/1128784924.db2.gz QZNTUKALHLICPJ-UTKZUKDTSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816898 1128784928 /nfs/dbraw/zinc/78/49/28/1128784928.db2.gz QZNTUKALHLICPJ-UTKZUKDTSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816898 1128784932 /nfs/dbraw/zinc/78/49/32/1128784932.db2.gz QZNTUKALHLICPJ-UTKZUKDTSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816898 1128784934 /nfs/dbraw/zinc/78/49/34/1128784934.db2.gz QZNTUKALHLICPJ-UTKZUKDTSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000109068311 1120019118 /nfs/dbraw/zinc/01/91/18/1120019118.db2.gz APLRCYVCDFLXBE-INIZCTEOSA-N 2 1 340.515 3.701 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000109068641 1120019341 /nfs/dbraw/zinc/01/93/41/1120019341.db2.gz GXJFZCONGKZYBY-MRXNPFEDSA-N 2 1 340.515 3.701 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC001648792940 1120035395 /nfs/dbraw/zinc/03/53/95/1120035395.db2.gz XNNXQIGMTPEPAS-RBBKRZOGSA-N 2 1 344.543 3.899 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)C[NH+]3CCCCC3)s2)o1 ZINC001648882547 1120060709 /nfs/dbraw/zinc/06/07/09/1120060709.db2.gz UVCPLAXZBLBACY-AWEZNQCLSA-N 2 1 333.501 3.923 20 0 EHADMP C[N@H+](Cc1cc(Br)c(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000226450939 1120158307 /nfs/dbraw/zinc/15/83/07/1120158307.db2.gz LVUREIFRIZEIQQ-VIFPVBQESA-N 2 1 337.714 3.738 20 0 EHADMP C[N@@H+](Cc1cc(Br)c(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000226450939 1120158310 /nfs/dbraw/zinc/15/83/10/1120158310.db2.gz LVUREIFRIZEIQQ-VIFPVBQESA-N 2 1 337.714 3.738 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCSCC1 ZINC000187155362 1120488029 /nfs/dbraw/zinc/48/80/29/1120488029.db2.gz JODQDOYIJITGAA-MJGOQNOKSA-N 2 1 332.557 3.672 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494557290 1120594328 /nfs/dbraw/zinc/59/43/28/1120594328.db2.gz KGURCHALUQJEIV-IRXDYDNUSA-N 2 1 341.474 3.988 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000193976427 1120813590 /nfs/dbraw/zinc/81/35/90/1120813590.db2.gz RUGDMXCIUXPZBV-GOEBONIOSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000112710185 1128944868 /nfs/dbraw/zinc/94/48/68/1128944868.db2.gz PDXZELSEPABEPF-NSHDSACASA-N 2 1 343.805 3.872 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000494964798 1120920563 /nfs/dbraw/zinc/92/05/63/1120920563.db2.gz SLGRWQYGKACLDZ-WOJBJXKFSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000494964798 1120920566 /nfs/dbraw/zinc/92/05/66/1120920566.db2.gz SLGRWQYGKACLDZ-WOJBJXKFSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000494964798 1120920568 /nfs/dbraw/zinc/92/05/68/1120920568.db2.gz SLGRWQYGKACLDZ-WOJBJXKFSA-N 2 1 330.541 3.728 20 0 EHADMP Brc1cccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250087771 1120953556 /nfs/dbraw/zinc/95/35/56/1120953556.db2.gz UYSFHQVDOBGMJX-CCRGXQTGSA-N 2 1 349.316 3.912 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205136285 1121278422 /nfs/dbraw/zinc/27/84/22/1121278422.db2.gz VSMWIRURMAWGFR-GXSJLCMTSA-N 2 1 340.311 3.751 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205136285 1121278427 /nfs/dbraw/zinc/27/84/27/1121278427.db2.gz VSMWIRURMAWGFR-GXSJLCMTSA-N 2 1 340.311 3.751 20 0 EHADMP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976831 1128989671 /nfs/dbraw/zinc/98/96/71/1128989671.db2.gz KAMVBYJPUNMEIX-XLIONFOSSA-N 2 1 338.499 3.608 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000237220657 1121477285 /nfs/dbraw/zinc/47/72/85/1121477285.db2.gz DNEOULDYRCXJMK-QGZVFWFLSA-N 2 1 348.531 3.879 20 0 EHADMP C[N@@H+](CCCc1ccccc1Br)CCC1CC[NH2+]CC1 ZINC001235715807 1121667393 /nfs/dbraw/zinc/66/73/93/1121667393.db2.gz XQLHSXZUPCHPOV-UHFFFAOYSA-N 2 1 339.321 3.703 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398037477 1121963556 /nfs/dbraw/zinc/96/35/56/1121963556.db2.gz QLSKGTWEDIXGRX-AVRDEDQJSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398037477 1121963561 /nfs/dbraw/zinc/96/35/61/1121963561.db2.gz QLSKGTWEDIXGRX-AVRDEDQJSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124859257 1122297688 /nfs/dbraw/zinc/29/76/88/1122297688.db2.gz OJLQLIMVLLFHIV-IAGOWNOFSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124859257 1122297693 /nfs/dbraw/zinc/29/76/93/1122297693.db2.gz OJLQLIMVLLFHIV-IAGOWNOFSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000127146359 1122465373 /nfs/dbraw/zinc/46/53/73/1122465373.db2.gz GTRZOMLIVYTGGY-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)ccc2n1C1CC1 ZINC000338793501 1129060094 /nfs/dbraw/zinc/06/00/94/1129060094.db2.gz WATXIWXMGJSVBU-RLFYNMQTSA-N 2 1 340.515 3.752 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)C2)cc1F ZINC000556875825 1123157436 /nfs/dbraw/zinc/15/74/36/1123157436.db2.gz KXGTXODKCMDITD-RTYCURFASA-N 2 1 332.463 3.543 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)[C@H]1c1cccs1 ZINC000556872523 1123161862 /nfs/dbraw/zinc/16/18/62/1123161862.db2.gz YWFJZWAVLNSYBB-CBNQQXHVSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]2CCC[C@H]21 ZINC000556872523 1123161864 /nfs/dbraw/zinc/16/18/64/1123161864.db2.gz YWFJZWAVLNSYBB-CBNQQXHVSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]2CCC[C@H]21 ZINC000556872523 1123161866 /nfs/dbraw/zinc/16/18/66/1123161866.db2.gz YWFJZWAVLNSYBB-CBNQQXHVSA-N 2 1 347.572 3.593 20 0 EHADMP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556924588 1123212553 /nfs/dbraw/zinc/21/25/53/1123212553.db2.gz UHQKXQAMWZCXBD-HOCLYGCPSA-N 2 1 326.406 3.829 20 0 EHADMP Cc1ncsc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499164561 1123258032 /nfs/dbraw/zinc/25/80/32/1123258032.db2.gz PBSSLLSDINNTIO-BCDXTJNWSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1ncsc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499164561 1123258036 /nfs/dbraw/zinc/25/80/36/1123258036.db2.gz PBSSLLSDINNTIO-BCDXTJNWSA-N 2 1 327.497 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245715971 1123934823 /nfs/dbraw/zinc/93/48/23/1123934823.db2.gz NZGBZIVJSZWYGJ-PSWRPDDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCC[NH+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245715971 1123934825 /nfs/dbraw/zinc/93/48/25/1123934825.db2.gz NZGBZIVJSZWYGJ-PSWRPDDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCC[NH+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245715971 1123934828 /nfs/dbraw/zinc/93/48/28/1123934828.db2.gz NZGBZIVJSZWYGJ-PSWRPDDJSA-N 2 1 341.543 3.504 20 0 EHADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245719964 1123936403 /nfs/dbraw/zinc/93/64/03/1123936403.db2.gz OODGGWFHJOZVJP-CIAFKFPVSA-N 2 1 344.543 3.959 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953456 1123988948 /nfs/dbraw/zinc/98/89/48/1123988948.db2.gz PYZZUBHUZCNANB-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953456 1123988949 /nfs/dbraw/zinc/98/89/49/1123988949.db2.gz PYZZUBHUZCNANB-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953456 1123988950 /nfs/dbraw/zinc/98/89/50/1123988950.db2.gz PYZZUBHUZCNANB-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000180932315 1124105163 /nfs/dbraw/zinc/10/51/63/1124105163.db2.gz UUZXFPJXAGNYBD-GFCCVEGCSA-N 2 1 325.428 3.932 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246931973 1124568428 /nfs/dbraw/zinc/56/84/28/1124568428.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246931973 1124568435 /nfs/dbraw/zinc/56/84/35/1124568435.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246931973 1124568442 /nfs/dbraw/zinc/56/84/42/1124568442.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246931973 1124568450 /nfs/dbraw/zinc/56/84/50/1124568450.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246931973 1124568460 /nfs/dbraw/zinc/56/84/60/1124568460.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246931973 1124568464 /nfs/dbraw/zinc/56/84/64/1124568464.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246931973 1124568470 /nfs/dbraw/zinc/56/84/70/1124568470.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246931973 1124568476 /nfs/dbraw/zinc/56/84/76/1124568476.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246931973 1124568481 /nfs/dbraw/zinc/56/84/81/1124568481.db2.gz HEJPDFKAFRXIES-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2OC)[C@@H](C)C1 ZINC000248638243 1124683707 /nfs/dbraw/zinc/68/37/07/1124683707.db2.gz MCMNYLJSLOAADD-XHSDSOJGSA-N 2 1 340.533 3.544 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2OC)[C@@H](C)C1 ZINC000248638243 1124683709 /nfs/dbraw/zinc/68/37/09/1124683709.db2.gz MCMNYLJSLOAADD-XHSDSOJGSA-N 2 1 340.533 3.544 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000249375771 1124754025 /nfs/dbraw/zinc/75/40/25/1124754025.db2.gz JTSKNFQXFNVEED-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449079301 1124942797 /nfs/dbraw/zinc/94/27/97/1124942797.db2.gz OIRLLCSJJAIXFL-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449079301 1124942800 /nfs/dbraw/zinc/94/28/00/1124942800.db2.gz OIRLLCSJJAIXFL-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683601 1125288957 /nfs/dbraw/zinc/28/89/57/1125288957.db2.gz LXNXAFDOGOGFJJ-GOSISDBHSA-N 2 1 338.499 3.693 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683601 1125288958 /nfs/dbraw/zinc/28/89/58/1125288958.db2.gz LXNXAFDOGOGFJJ-GOSISDBHSA-N 2 1 338.499 3.693 20 0 EHADMP FC(F)COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683467 1125289014 /nfs/dbraw/zinc/28/90/14/1125289014.db2.gz MCMCFNOBIUHDGQ-QGZVFWFLSA-N 2 1 338.442 3.638 20 0 EHADMP FC(F)COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683467 1125289017 /nfs/dbraw/zinc/28/90/17/1125289017.db2.gz MCMCFNOBIUHDGQ-QGZVFWFLSA-N 2 1 338.442 3.638 20 0 EHADMP Cc1ccc(CN(C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)nc1 ZINC000682788272 1129240839 /nfs/dbraw/zinc/24/08/39/1129240839.db2.gz SOBTWVOXVWOFNH-UHFFFAOYSA-N 2 1 325.500 3.980 20 0 EHADMP CC(C)(C)[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000508992137 1129623499 /nfs/dbraw/zinc/62/34/99/1129623499.db2.gz RQVONCOJUJTWRY-IBGZPJMESA-N 2 1 329.532 3.567 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000390912362 1129798393 /nfs/dbraw/zinc/79/83/93/1129798393.db2.gz XYIWBRWOKWUGBM-LEWJYISDSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000390912362 1129798395 /nfs/dbraw/zinc/79/83/95/1129798395.db2.gz XYIWBRWOKWUGBM-LEWJYISDSA-N 2 1 344.543 3.818 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625279314 1129800136 /nfs/dbraw/zinc/80/01/36/1129800136.db2.gz BEGFUBYCXMFVNV-UHFFFAOYSA-N 2 1 345.462 3.544 20 0 EHADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000310784248 1129934980 /nfs/dbraw/zinc/93/49/80/1129934980.db2.gz CEUDBNFXZMAMIZ-LPHOPBHVSA-N 2 1 342.458 3.835 20 0 EHADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000310784248 1129934983 /nfs/dbraw/zinc/93/49/83/1129934983.db2.gz CEUDBNFXZMAMIZ-LPHOPBHVSA-N 2 1 342.458 3.835 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@H]2CCC[C@H]21 ZINC000658070246 1130118837 /nfs/dbraw/zinc/11/88/37/1130118837.db2.gz WJBLPDZZDWZQBB-OGWHTMIXSA-N 2 1 347.934 3.629 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731677914 1130831704 /nfs/dbraw/zinc/83/17/04/1130831704.db2.gz BUFUTMRWFFDBRL-OAHLLOKOSA-N 2 1 327.472 3.721 20 0 EHADMP CCCCCC[N@H+](C)CC(=O)Nc1cccc2c1C[NH+](CCC)C2 ZINC000732284034 1130909633 /nfs/dbraw/zinc/90/96/33/1130909633.db2.gz HRPZGFTXPQMTPM-UHFFFAOYSA-N 2 1 331.504 3.863 20 0 EHADMP CCCCCC[N@@H+](C)CC(=O)Nc1cccc2c1C[NH+](CCC)C2 ZINC000732284034 1130909641 /nfs/dbraw/zinc/90/96/41/1130909641.db2.gz HRPZGFTXPQMTPM-UHFFFAOYSA-N 2 1 331.504 3.863 20 0 EHADMP CCCCCC[NH+](C)CC(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000732284034 1130909644 /nfs/dbraw/zinc/90/96/44/1130909644.db2.gz HRPZGFTXPQMTPM-UHFFFAOYSA-N 2 1 331.504 3.863 20 0 EHADMP CCCCCC[NH+](C)CC(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000732284034 1130909648 /nfs/dbraw/zinc/90/96/48/1130909648.db2.gz HRPZGFTXPQMTPM-UHFFFAOYSA-N 2 1 331.504 3.863 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000742373240 1131717129 /nfs/dbraw/zinc/71/71/29/1131717129.db2.gz IMKJGFMXDJBNCT-UHFFFAOYSA-N 2 1 343.500 3.691 20 0 EHADMP CC(C)COCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172473000 1131735161 /nfs/dbraw/zinc/73/51/61/1131735161.db2.gz BLXQXKKOZDQBDX-SESVDKBCSA-N 2 1 330.516 3.501 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172473000 1131735166 /nfs/dbraw/zinc/73/51/66/1131735166.db2.gz BLXQXKKOZDQBDX-SESVDKBCSA-N 2 1 330.516 3.501 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172473000 1131735172 /nfs/dbraw/zinc/73/51/72/1131735172.db2.gz BLXQXKKOZDQBDX-SESVDKBCSA-N 2 1 330.516 3.501 20 0 EHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172485209 1131739969 /nfs/dbraw/zinc/73/99/69/1131739969.db2.gz UPIFNPNIUQUVFM-NNWRFLSQSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172485209 1131739976 /nfs/dbraw/zinc/73/99/76/1131739976.db2.gz UPIFNPNIUQUVFM-NNWRFLSQSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172485209 1131739981 /nfs/dbraw/zinc/73/99/81/1131739981.db2.gz UPIFNPNIUQUVFM-NNWRFLSQSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172458118 1131750405 /nfs/dbraw/zinc/75/04/05/1131750405.db2.gz YRMMKPUNULPTEB-SFHVURJKSA-N 2 1 330.516 3.713 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172458118 1131750410 /nfs/dbraw/zinc/75/04/10/1131750410.db2.gz YRMMKPUNULPTEB-SFHVURJKSA-N 2 1 330.516 3.713 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172772888 1131842971 /nfs/dbraw/zinc/84/29/71/1131842971.db2.gz IXQXWBVZUJQMAY-ICSRJNTNSA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172772888 1131842975 /nfs/dbraw/zinc/84/29/75/1131842975.db2.gz IXQXWBVZUJQMAY-ICSRJNTNSA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172772888 1131842981 /nfs/dbraw/zinc/84/29/81/1131842981.db2.gz IXQXWBVZUJQMAY-ICSRJNTNSA-N 2 1 346.515 3.561 20 0 EHADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[C@@H](OC)C2)c1 ZINC001172926748 1131908030 /nfs/dbraw/zinc/90/80/30/1131908030.db2.gz CESFBWZIPVDYQR-VNYTWHDVSA-N 2 1 346.515 3.725 20 0 EHADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929200 1131909149 /nfs/dbraw/zinc/90/91/49/1131909149.db2.gz NKLGACVMVQCKAD-WTGUMLROSA-N 2 1 334.479 3.855 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001173106722 1131968248 /nfs/dbraw/zinc/96/82/48/1131968248.db2.gz DPACKMXWOXCYIB-KMFTYDHNSA-N 2 1 331.548 3.736 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCN(C3CCC(C)CC3)CC2)CC1 ZINC001173111965 1131970169 /nfs/dbraw/zinc/97/01/69/1131970169.db2.gz OIYIJUQABCEJHB-UHFFFAOYSA-N 2 1 335.580 3.836 20 0 EHADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCc2ncsc2C1 ZINC001173145311 1131983912 /nfs/dbraw/zinc/98/39/12/1131983912.db2.gz KJHKHENJUTUFNH-KRWDZBQOSA-N 2 1 333.545 3.729 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855665 1131988581 /nfs/dbraw/zinc/98/85/81/1131988581.db2.gz VTGYSGSJGMBINK-SJORKVTESA-N 2 1 344.421 3.545 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855665 1131988585 /nfs/dbraw/zinc/98/85/85/1131988585.db2.gz VTGYSGSJGMBINK-SJORKVTESA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855665 1131988594 /nfs/dbraw/zinc/98/85/94/1131988594.db2.gz VTGYSGSJGMBINK-SJORKVTESA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855665 1131988601 /nfs/dbraw/zinc/98/86/01/1131988601.db2.gz VTGYSGSJGMBINK-SJORKVTESA-N 2 1 344.421 3.545 20 0 EHADMP C[N@H+](C[C@H]1CC1(Cl)Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872824 1131998219 /nfs/dbraw/zinc/99/82/19/1131998219.db2.gz AQJASPQCWWOPFG-HZPDHXFCSA-N 2 1 327.299 3.634 20 0 EHADMP C[N@@H+](C[C@H]1CC1(Cl)Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872824 1131998225 /nfs/dbraw/zinc/99/82/25/1131998225.db2.gz AQJASPQCWWOPFG-HZPDHXFCSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872824 1131998228 /nfs/dbraw/zinc/99/82/28/1131998228.db2.gz AQJASPQCWWOPFG-HZPDHXFCSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872824 1131998237 /nfs/dbraw/zinc/99/82/37/1131998237.db2.gz AQJASPQCWWOPFG-HZPDHXFCSA-N 2 1 327.299 3.634 20 0 EHADMP CCc1ccc(C[C@@H](C)[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001173244306 1132016329 /nfs/dbraw/zinc/01/63/29/1132016329.db2.gz UGEJQHBVGZWQTN-GOSISDBHSA-N 2 1 344.543 3.755 20 0 EHADMP CCc1ccc(C[C@@H](C)[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001173244306 1132016334 /nfs/dbraw/zinc/01/63/34/1132016334.db2.gz UGEJQHBVGZWQTN-GOSISDBHSA-N 2 1 344.543 3.755 20 0 EHADMP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001173258192 1132022989 /nfs/dbraw/zinc/02/29/89/1132022989.db2.gz PJXFBZLOYJZDQL-BBWFWOEESA-N 2 1 341.540 3.518 20 0 EHADMP Fc1cc2c(cc1F)CC([NH2+][C@H]1CC[N@H+](CC3CCCCC3)C1)C2 ZINC001173475706 1132073995 /nfs/dbraw/zinc/07/39/95/1132073995.db2.gz IHMMHUQGBJDRGH-KRWDZBQOSA-N 2 1 334.454 3.676 20 0 EHADMP Fc1cc2c(cc1F)CC([NH2+][C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001173475706 1132074001 /nfs/dbraw/zinc/07/40/01/1132074001.db2.gz IHMMHUQGBJDRGH-KRWDZBQOSA-N 2 1 334.454 3.676 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379641013 1132183115 /nfs/dbraw/zinc/18/31/15/1132183115.db2.gz XLMWHMUVWIADFU-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379645653 1132198736 /nfs/dbraw/zinc/19/87/36/1132198736.db2.gz IFGXTVXURDWRPP-ZFWWWQNUSA-N 2 1 332.435 3.882 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379645653 1132198741 /nfs/dbraw/zinc/19/87/41/1132198741.db2.gz IFGXTVXURDWRPP-ZFWWWQNUSA-N 2 1 332.435 3.882 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634343 1132435979 /nfs/dbraw/zinc/43/59/79/1132435979.db2.gz VAVQZQUXTFQDLC-UYAOXDASSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379634343 1132435984 /nfs/dbraw/zinc/43/59/84/1132435984.db2.gz VAVQZQUXTFQDLC-UYAOXDASSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001205995564 1132599642 /nfs/dbraw/zinc/59/96/42/1132599642.db2.gz PCLMSVBUFDQDIE-VXGBXAGGSA-N 2 1 345.712 3.909 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](OCc3ccccc3)CC1)C2 ZINC001169118080 1132661766 /nfs/dbraw/zinc/66/17/66/1132661766.db2.gz DICNANPBLKNOOZ-WARAAXDBSA-N 2 1 328.500 3.729 20 0 EHADMP COc1cccc(CC2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169118344 1132664240 /nfs/dbraw/zinc/66/42/40/1132664240.db2.gz HSQILIZOSPBPSG-REPLKXPHSA-N 2 1 328.500 3.623 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(C[C@@H](c4ccccc4)CO3)C1)C2 ZINC001169134138 1132666698 /nfs/dbraw/zinc/66/66/98/1132666698.db2.gz QHCIKXBPFKJHGS-AANPDWTMSA-N 2 1 340.511 3.650 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(Cl)cc3)CCOCC1)C2 ZINC001169109389 1132670989 /nfs/dbraw/zinc/67/09/89/1132670989.db2.gz BSLVACHQIAKMNS-LDLYASANSA-N 2 1 348.918 3.647 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109324 1132671606 /nfs/dbraw/zinc/67/16/06/1132671606.db2.gz AUAAWMHZZRANQW-UMPJEAMMSA-N 2 1 339.405 3.766 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CCOCC1)c1cccc(F)c1)C2 ZINC001169109568 1132671666 /nfs/dbraw/zinc/67/16/66/1132671666.db2.gz DLXDDRMHHCMBCW-MXEMCNAFSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169110535 1132671765 /nfs/dbraw/zinc/67/17/65/1132671765.db2.gz MGCFQMODYDFQOJ-LDLYASANSA-N 2 1 348.918 3.603 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1cc(C(F)(F)F)ccc1Cl)C2 ZINC001169115683 1132672810 /nfs/dbraw/zinc/67/28/10/1132672810.db2.gz MHTCFTBMRNYCQN-ZSBIGDGJSA-N 2 1 345.796 3.899 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccc(Br)cc3)C1)C2 ZINC001169147055 1132676855 /nfs/dbraw/zinc/67/68/55/1132676855.db2.gz RZRCLOZSQAUBAF-OWLYRPNTSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3ccc(Br)cc3)C1)C2 ZINC001169147055 1132676859 /nfs/dbraw/zinc/67/68/59/1132676859.db2.gz RZRCLOZSQAUBAF-OWLYRPNTSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3ccc(Br)cc3)C1)C2 ZINC001169147055 1132676866 /nfs/dbraw/zinc/67/68/66/1132676866.db2.gz RZRCLOZSQAUBAF-OWLYRPNTSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+](C)CCCNC(=O)c1ccc(Nc2ccc3c[nH+]ccc3c2)cc1 ZINC001175824974 1132777797 /nfs/dbraw/zinc/77/77/97/1132777797.db2.gz UIMCVVNITMQETI-UHFFFAOYSA-N 2 1 348.450 3.660 20 0 EHADMP FC1(F)CCC[C@H]1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898846 1132890927 /nfs/dbraw/zinc/89/09/27/1132890927.db2.gz CQPAIOFCBRVHOV-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CCC[C@H]1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898846 1132890938 /nfs/dbraw/zinc/89/09/38/1132890938.db2.gz CQPAIOFCBRVHOV-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CCC[C@H]1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898846 1132890948 /nfs/dbraw/zinc/89/09/48/1132890948.db2.gz CQPAIOFCBRVHOV-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000768302536 1133122426 /nfs/dbraw/zinc/12/24/26/1133122426.db2.gz HWHMUAMWZJVZPS-UHFFFAOYSA-N 2 1 348.922 3.932 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000768302536 1133122429 /nfs/dbraw/zinc/12/24/29/1133122429.db2.gz HWHMUAMWZJVZPS-UHFFFAOYSA-N 2 1 348.922 3.932 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001179338584 1133246683 /nfs/dbraw/zinc/24/66/83/1133246683.db2.gz KCTBDUQHYVJIIK-WIYYLYMNSA-N 2 1 338.495 3.861 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)sc2nc(C)nc(C)c12 ZINC000769472166 1133297557 /nfs/dbraw/zinc/29/75/57/1133297557.db2.gz FIYGWLXTFPLZKX-MRXNPFEDSA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)sc2nc(C)nc(C)c12 ZINC000769472166 1133297562 /nfs/dbraw/zinc/29/75/62/1133297562.db2.gz FIYGWLXTFPLZKX-MRXNPFEDSA-N 2 1 344.528 3.534 20 0 EHADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CCCCO1 ZINC001179946718 1133304027 /nfs/dbraw/zinc/30/40/27/1133304027.db2.gz RBECZULYSNCJQV-LEWJYISDSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CCCCO1 ZINC001179946718 1133304030 /nfs/dbraw/zinc/30/40/30/1133304030.db2.gz RBECZULYSNCJQV-LEWJYISDSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CCCCO1 ZINC001179946718 1133304033 /nfs/dbraw/zinc/30/40/33/1133304033.db2.gz RBECZULYSNCJQV-LEWJYISDSA-N 2 1 330.516 3.790 20 0 EHADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CCCCO1 ZINC001179946725 1133304095 /nfs/dbraw/zinc/30/40/95/1133304095.db2.gz RBECZULYSNCJQV-SFTDATJTSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CCCCO1 ZINC001179946725 1133304098 /nfs/dbraw/zinc/30/40/98/1133304098.db2.gz RBECZULYSNCJQV-SFTDATJTSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CCCCO1 ZINC001179946725 1133304100 /nfs/dbraw/zinc/30/41/00/1133304100.db2.gz RBECZULYSNCJQV-SFTDATJTSA-N 2 1 330.516 3.790 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000769871602 1133360644 /nfs/dbraw/zinc/36/06/44/1133360644.db2.gz YPFXXVNZKJSBRA-OAHLLOKOSA-N 2 1 327.472 3.992 20 0 EHADMP CCC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001181135868 1133457731 /nfs/dbraw/zinc/45/77/31/1133457731.db2.gz XPYYDRAIQDQUBZ-SFHVURJKSA-N 2 1 345.531 3.848 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001181222077 1133471625 /nfs/dbraw/zinc/47/16/25/1133471625.db2.gz DNNHTBSDQOHMNU-WOZUAGRISA-N 2 1 344.543 3.816 20 0 EHADMP C[C@@]1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697166 1133518823 /nfs/dbraw/zinc/51/88/23/1133518823.db2.gz GLWDHDKERKIBHB-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@@]1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697166 1133518826 /nfs/dbraw/zinc/51/88/26/1133518826.db2.gz GLWDHDKERKIBHB-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@@]1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697166 1133518829 /nfs/dbraw/zinc/51/88/29/1133518829.db2.gz GLWDHDKERKIBHB-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000774264452 1133649428 /nfs/dbraw/zinc/64/94/28/1133649428.db2.gz DHTLDPLRRDGKGV-CBANROCLSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000774264452 1133649430 /nfs/dbraw/zinc/64/94/30/1133649430.db2.gz DHTLDPLRRDGKGV-CBANROCLSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000774264452 1133649432 /nfs/dbraw/zinc/64/94/32/1133649432.db2.gz DHTLDPLRRDGKGV-CBANROCLSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@@H+]1Cc1ccccc1 ZINC000774264452 1133649434 /nfs/dbraw/zinc/64/94/34/1133649434.db2.gz DHTLDPLRRDGKGV-CBANROCLSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@H+]1Cc1ccccc1 ZINC000774264452 1133649436 /nfs/dbraw/zinc/64/94/36/1133649436.db2.gz DHTLDPLRRDGKGV-CBANROCLSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205280588 1133847366 /nfs/dbraw/zinc/84/73/66/1133847366.db2.gz CYPHCKQLOQJSFG-MRXNPFEDSA-N 2 1 336.277 3.634 20 0 EHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205280588 1133847371 /nfs/dbraw/zinc/84/73/71/1133847371.db2.gz CYPHCKQLOQJSFG-MRXNPFEDSA-N 2 1 336.277 3.634 20 0 EHADMP CC(C)CCC[C@@H](C)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001170069436 1133964767 /nfs/dbraw/zinc/96/47/67/1133964767.db2.gz OFVFOYIIAFNHOU-MRXNPFEDSA-N 2 1 341.540 3.519 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000774906485 1134115238 /nfs/dbraw/zinc/11/52/38/1134115238.db2.gz BMYCHEZQUNIZJZ-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000774906485 1134115240 /nfs/dbraw/zinc/11/52/40/1134115240.db2.gz BMYCHEZQUNIZJZ-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000774906485 1134115243 /nfs/dbraw/zinc/11/52/43/1134115243.db2.gz BMYCHEZQUNIZJZ-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000774906485 1134115245 /nfs/dbraw/zinc/11/52/45/1134115245.db2.gz BMYCHEZQUNIZJZ-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC001186069751 1134164600 /nfs/dbraw/zinc/16/46/00/1134164600.db2.gz GNAINNYNHNHGRM-HIFRSBDPSA-N 2 1 327.476 3.585 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC001186069751 1134164602 /nfs/dbraw/zinc/16/46/02/1134164602.db2.gz GNAINNYNHNHGRM-HIFRSBDPSA-N 2 1 327.476 3.585 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774974976 1134172346 /nfs/dbraw/zinc/17/23/46/1134172346.db2.gz IADSQXGRDRQHRA-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](Nc3nc(C)nc4c3CCCC4)C2)cc1 ZINC001187391289 1134334074 /nfs/dbraw/zinc/33/40/74/1134334074.db2.gz MJTQPQNWNXFLJV-GOSISDBHSA-N 2 1 336.483 3.659 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001170134428 1134408928 /nfs/dbraw/zinc/40/89/28/1134408928.db2.gz BYUMYGYXWMWAKB-KZNAEPCWSA-N 2 1 348.556 3.992 20 0 EHADMP C[NH+](CCSCC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001189215145 1134559401 /nfs/dbraw/zinc/55/94/01/1134559401.db2.gz KBVLVPBBKYWEAO-UHFFFAOYSA-N 2 1 328.525 3.984 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775378466 1134692314 /nfs/dbraw/zinc/69/23/14/1134692314.db2.gz JVJKBJQBCSSGSU-JJTUDDRGSA-N 2 1 342.618 3.712 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775378466 1134692317 /nfs/dbraw/zinc/69/23/17/1134692317.db2.gz JVJKBJQBCSSGSU-JJTUDDRGSA-N 2 1 342.618 3.712 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001170179519 1134698831 /nfs/dbraw/zinc/69/88/31/1134698831.db2.gz WKLMSEDJYMLSNM-FCMAGTKHSA-N 2 1 328.500 3.729 20 0 EHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190890 1134703132 /nfs/dbraw/zinc/70/31/32/1134703132.db2.gz GIFDGMPGNKIPNK-LWYYNNOASA-N 2 1 334.479 3.855 20 0 EHADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001205546619 1134770887 /nfs/dbraw/zinc/77/08/87/1134770887.db2.gz XGZSGINPOSHKCY-INIZCTEOSA-N 2 1 332.385 3.791 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001170428421 1134884306 /nfs/dbraw/zinc/88/43/06/1134884306.db2.gz INKYZPPPKOZCRQ-AEFFLSMTSA-N 2 1 332.488 3.577 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793548481 1134955121 /nfs/dbraw/zinc/95/51/21/1134955121.db2.gz MKBNIICUHGYAAD-BJLQDIEVSA-N 2 1 340.515 3.680 20 0 EHADMP COC(=O)C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC001192172636 1134973723 /nfs/dbraw/zinc/97/37/23/1134973723.db2.gz DAGDDWWQSXHAAL-UHFFFAOYSA-N 2 1 344.499 3.590 20 0 EHADMP COC(=O)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC001192172636 1134973728 /nfs/dbraw/zinc/97/37/28/1134973728.db2.gz DAGDDWWQSXHAAL-UHFFFAOYSA-N 2 1 344.499 3.590 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCCC[C@H]1O ZINC001192744691 1135048876 /nfs/dbraw/zinc/04/88/76/1135048876.db2.gz HOBHUHOOOGPGMP-NHCUHLMSSA-N 2 1 330.516 3.655 20 0 EHADMP C[C@@H]1CCOCC[NH+]1CCCCCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000775568471 1135096136 /nfs/dbraw/zinc/09/61/36/1135096136.db2.gz UJQPVOOAGIJUQL-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP C[C@@H]1CCOCC[N@H+]1CCCCCCCC[NH+]1CCOCC[C@@H]1C ZINC000775568471 1135096140 /nfs/dbraw/zinc/09/61/40/1135096140.db2.gz UJQPVOOAGIJUQL-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP C[C@@H]1CCOCC[N@@H+]1CCCCCCCC[NH+]1CCOCC[C@@H]1C ZINC000775568471 1135096144 /nfs/dbraw/zinc/09/61/44/1135096144.db2.gz UJQPVOOAGIJUQL-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CC[NH+](CC)CCCN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001196961494 1135635327 /nfs/dbraw/zinc/63/53/27/1135635327.db2.gz LBTHDSKTADPNHH-SZPZYZBQSA-N 2 1 343.559 3.562 20 0 EHADMP CO[C@@H](CC(C)C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001197909994 1135754480 /nfs/dbraw/zinc/75/44/80/1135754480.db2.gz AEVKCTMKEMBYJA-HKBOAZHASA-N 2 1 330.516 3.501 20 0 EHADMP CO[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC001203243528 1135803430 /nfs/dbraw/zinc/80/34/30/1135803430.db2.gz PLEOVQSUKNVAMM-FQEVSTJZSA-N 2 1 332.532 3.939 20 0 EHADMP CCn1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c2ccccc21 ZINC000809739120 1135883638 /nfs/dbraw/zinc/88/36/38/1135883638.db2.gz XZQGWLCHZBWGLQ-UHFFFAOYSA-N 2 1 336.483 3.750 20 0 EHADMP CCn1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c2ccccc21 ZINC000809739120 1135883641 /nfs/dbraw/zinc/88/36/41/1135883641.db2.gz XZQGWLCHZBWGLQ-UHFFFAOYSA-N 2 1 336.483 3.750 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001199310517 1135895320 /nfs/dbraw/zinc/89/53/20/1135895320.db2.gz XJBWZIPABZTSDD-OTWHNJEPSA-N 2 1 330.516 3.681 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001199344116 1135896567 /nfs/dbraw/zinc/89/65/67/1135896567.db2.gz FJAYCIORVKBNNO-KCZVDYSFSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3nccs3)cc2)C1 ZINC001199320571 1135897646 /nfs/dbraw/zinc/89/76/46/1135897646.db2.gz NQBWFDXLVBWMPC-HOTGVXAUSA-N 2 1 329.513 3.911 20 0 EHADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CC=CCC2)CC3)c1 ZINC001201417104 1136018081 /nfs/dbraw/zinc/01/80/81/1136018081.db2.gz QRCLBYKEKGMHCS-LJQANCHMSA-N 2 1 325.500 3.726 20 0 EHADMP CCCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001201887547 1136070472 /nfs/dbraw/zinc/07/04/72/1136070472.db2.gz CBBANEZRUFCUCI-MEPUESOJSA-N 2 1 330.516 3.697 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312491 1136194131 /nfs/dbraw/zinc/19/41/31/1136194131.db2.gz AXMFOHGFPOVGFZ-IAOVAPTHSA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312491 1136194135 /nfs/dbraw/zinc/19/41/35/1136194135.db2.gz AXMFOHGFPOVGFZ-IAOVAPTHSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312491 1136194138 /nfs/dbraw/zinc/19/41/38/1136194138.db2.gz AXMFOHGFPOVGFZ-IAOVAPTHSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312491 1136194139 /nfs/dbraw/zinc/19/41/39/1136194139.db2.gz AXMFOHGFPOVGFZ-IAOVAPTHSA-N 2 1 344.421 3.543 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000850175390 1136217269 /nfs/dbraw/zinc/21/72/69/1136217269.db2.gz XFAZCZDZMDARRC-MSOLQXFVSA-N 2 1 343.446 3.975 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170699442 1136307233 /nfs/dbraw/zinc/30/72/33/1136307233.db2.gz HRZPOANVGKKTRW-SFHVURJKSA-N 2 1 336.470 3.874 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC000813881650 1136371787 /nfs/dbraw/zinc/37/17/87/1136371787.db2.gz RKKWOUNRAUSCSN-CBANROCLSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000813881056 1136372298 /nfs/dbraw/zinc/37/22/98/1136372298.db2.gz LFQQQJIFRDFEAN-ZNDGOPKYSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000813881056 1136372306 /nfs/dbraw/zinc/37/23/06/1136372306.db2.gz LFQQQJIFRDFEAN-ZNDGOPKYSA-N 2 1 338.499 3.656 20 0 EHADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccnn2C)c1 ZINC000338946800 1136461758 /nfs/dbraw/zinc/46/17/58/1136461758.db2.gz DHSNRLCYTWXYNP-LJQANCHMSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2ccnn2C)c1 ZINC000338946800 1136461760 /nfs/dbraw/zinc/46/17/60/1136461760.db2.gz DHSNRLCYTWXYNP-LJQANCHMSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2ccnn2C)c1 ZINC000338946800 1136461764 /nfs/dbraw/zinc/46/17/64/1136461764.db2.gz DHSNRLCYTWXYNP-LJQANCHMSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c2[nH+]ccn2c1 ZINC001170751423 1136469730 /nfs/dbraw/zinc/46/97/30/1136469730.db2.gz GFCGLMBCFZKGOA-IBGZPJMESA-N 2 1 334.467 3.762 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)s1 ZINC000853095731 1136509198 /nfs/dbraw/zinc/50/91/98/1136509198.db2.gz VFUKZKLJZFIBLN-IBGZPJMESA-N 2 1 329.513 3.662 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239371 1136520898 /nfs/dbraw/zinc/52/08/98/1136520898.db2.gz GKFLMNGNEXENPD-MJGOQNOKSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239371 1136520902 /nfs/dbraw/zinc/52/09/02/1136520902.db2.gz GKFLMNGNEXENPD-MJGOQNOKSA-N 2 1 338.499 3.645 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000854223276 1136599088 /nfs/dbraw/zinc/59/90/88/1136599088.db2.gz SAUKTYITSKXRME-QBPKDAKJSA-N 2 1 326.406 3.843 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000856591282 1136798562 /nfs/dbraw/zinc/79/85/62/1136798562.db2.gz LZJQEXAZNJSVKU-LAUBAEHRSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000856591282 1136798563 /nfs/dbraw/zinc/79/85/63/1136798563.db2.gz LZJQEXAZNJSVKU-LAUBAEHRSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000856591282 1136798565 /nfs/dbraw/zinc/79/85/65/1136798565.db2.gz LZJQEXAZNJSVKU-LAUBAEHRSA-N 2 1 339.483 3.748 20 0 EHADMP C[C@@]1(C[NH2+][C@@H]2CCc3cccnc3CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000817584135 1136824941 /nfs/dbraw/zinc/82/49/41/1136824941.db2.gz SGJXFNFMSGYTPW-GGAORHGYSA-N 2 1 349.522 3.831 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817891154 1136843224 /nfs/dbraw/zinc/84/32/24/1136843224.db2.gz GVSVKUYREDAYTH-VHKYSDTDSA-N 2 1 335.451 3.609 20 0 EHADMP Clc1ccc2c(c1Cl)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817926337 1136846632 /nfs/dbraw/zinc/84/66/32/1136846632.db2.gz FWZHFXOPMHKFDU-FZXRASCZSA-N 2 1 327.255 3.690 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000818959493 1136895452 /nfs/dbraw/zinc/89/54/52/1136895452.db2.gz MMKXIQHNAYZSCK-KSSFIOAISA-N 2 1 342.886 3.614 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818959302 1136895883 /nfs/dbraw/zinc/89/58/83/1136895883.db2.gz HUBKONNIDLNECO-KSSFIOAISA-N 2 1 342.886 3.757 20 0 EHADMP C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C[NH+](C)C)c1 ZINC000820825332 1137005245 /nfs/dbraw/zinc/00/52/45/1137005245.db2.gz ZXIYWZQJUGAWAP-MRXNPFEDSA-N 2 1 326.488 3.911 20 0 EHADMP COC(=O)c1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC000859214921 1137008330 /nfs/dbraw/zinc/00/83/30/1137008330.db2.gz RDFJLCQYVWFEFW-UHFFFAOYSA-N 2 1 346.496 3.537 20 0 EHADMP COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC000859214921 1137008332 /nfs/dbraw/zinc/00/83/32/1137008332.db2.gz RDFJLCQYVWFEFW-UHFFFAOYSA-N 2 1 346.496 3.537 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171063689 1137150263 /nfs/dbraw/zinc/15/02/63/1137150263.db2.gz OQAZSXPNRKXMNN-DOMZBBRYSA-N 2 1 327.299 3.782 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137024352 1137174343 /nfs/dbraw/zinc/17/43/43/1137174343.db2.gz VPWWRPPQVAPZTJ-ZRZAMGCNSA-N 2 1 348.490 3.589 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137024352 1137174345 /nfs/dbraw/zinc/17/43/45/1137174345.db2.gz VPWWRPPQVAPZTJ-ZRZAMGCNSA-N 2 1 348.490 3.589 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137024352 1137174346 /nfs/dbraw/zinc/17/43/46/1137174346.db2.gz VPWWRPPQVAPZTJ-ZRZAMGCNSA-N 2 1 348.490 3.589 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137024352 1137174347 /nfs/dbraw/zinc/17/43/47/1137174347.db2.gz VPWWRPPQVAPZTJ-ZRZAMGCNSA-N 2 1 348.490 3.589 20 0 EHADMP NC[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171110635 1137202898 /nfs/dbraw/zinc/20/28/98/1137202898.db2.gz DVWVPAGKTWVING-PMACEKPBSA-N 2 1 326.871 3.583 20 0 EHADMP NC[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171110635 1137202899 /nfs/dbraw/zinc/20/28/99/1137202899.db2.gz DVWVPAGKTWVING-PMACEKPBSA-N 2 1 326.871 3.583 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000339065271 1137208014 /nfs/dbraw/zinc/20/80/14/1137208014.db2.gz DSDQMWQRMTUQKH-SZMVWBNQSA-N 2 1 332.488 3.761 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144185 1137242891 /nfs/dbraw/zinc/24/28/91/1137242891.db2.gz NVJVSYCXSIOQHK-HUUCEWRRSA-N 2 1 327.299 3.925 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186161 1137250913 /nfs/dbraw/zinc/25/09/13/1137250913.db2.gz QUQZXFJLLWPMDJ-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186161 1137250915 /nfs/dbraw/zinc/25/09/15/1137250915.db2.gz QUQZXFJLLWPMDJ-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1cc2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186161 1137250917 /nfs/dbraw/zinc/25/09/17/1137250917.db2.gz QUQZXFJLLWPMDJ-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1cc2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186161 1137250918 /nfs/dbraw/zinc/25/09/18/1137250918.db2.gz QUQZXFJLLWPMDJ-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccccc2C[NH2+]C)c1Cl ZINC000844904318 1137261574 /nfs/dbraw/zinc/26/15/74/1137261574.db2.gz HWUBHMALHNVEFA-UHFFFAOYSA-N 2 1 334.895 3.654 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553451 1137269453 /nfs/dbraw/zinc/26/94/53/1137269453.db2.gz SIEOXHNQNPFMKD-XJKSGUPXSA-N 2 1 325.294 3.583 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171291 1137282089 /nfs/dbraw/zinc/28/20/89/1137282089.db2.gz FJAVPKXTLJYVEN-QAPCUYQASA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171291 1137282091 /nfs/dbraw/zinc/28/20/91/1137282091.db2.gz FJAVPKXTLJYVEN-QAPCUYQASA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171291 1137282093 /nfs/dbraw/zinc/28/20/93/1137282093.db2.gz FJAVPKXTLJYVEN-QAPCUYQASA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171291 1137282095 /nfs/dbraw/zinc/28/20/95/1137282095.db2.gz FJAVPKXTLJYVEN-QAPCUYQASA-N 2 1 339.310 3.878 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCSC3)CC23CC3)cc1 ZINC000865650420 1137301721 /nfs/dbraw/zinc/30/17/21/1137301721.db2.gz CXZGSIGGTVMMDO-RTBURBONSA-N 2 1 330.541 3.916 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCSC3)CC23CC3)cc1 ZINC000865650420 1137301723 /nfs/dbraw/zinc/30/17/23/1137301723.db2.gz CXZGSIGGTVMMDO-RTBURBONSA-N 2 1 330.541 3.916 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)CC2 ZINC001171325587 1137421327 /nfs/dbraw/zinc/42/13/27/1137421327.db2.gz AYCLYBOWUPIMAT-OAHLLOKOSA-N 2 1 348.918 3.624 20 0 EHADMP Cc1ccncc1CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000348096633 1137439887 /nfs/dbraw/zinc/43/98/87/1137439887.db2.gz ROKBRGAJHYABSO-LJQANCHMSA-N 2 1 325.500 3.823 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282744650 1137444830 /nfs/dbraw/zinc/44/48/30/1137444830.db2.gz NKOWDZDYJITKKF-WJMWBRGCSA-N 2 1 330.516 3.692 20 0 EHADMP [NH3+]C1(c2ccccc2)CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171357081 1137457095 /nfs/dbraw/zinc/45/70/95/1137457095.db2.gz HMKWHAJRZAGCCY-SFHVURJKSA-N 2 1 342.433 3.772 20 0 EHADMP COC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000716678296 1137488196 /nfs/dbraw/zinc/48/81/96/1137488196.db2.gz JEYLXKVUIGLLJC-UFYCRDLUSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1cnc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c(C)c1 ZINC000716708580 1137488620 /nfs/dbraw/zinc/48/86/20/1137488620.db2.gz RDXGXAMUVDQGSQ-FKBYEOEOSA-N 2 1 349.522 3.884 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519732 1137495981 /nfs/dbraw/zinc/49/59/81/1137495981.db2.gz IYODAJIVXFDSQO-KBPBESRZSA-N 2 1 340.433 3.814 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519732 1137495983 /nfs/dbraw/zinc/49/59/83/1137495983.db2.gz IYODAJIVXFDSQO-KBPBESRZSA-N 2 1 340.433 3.814 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cnccc2C(F)(F)F)CC1(C)C ZINC001171614247 1137500767 /nfs/dbraw/zinc/50/07/67/1137500767.db2.gz VULVQFVKRKGAJD-UHFFFAOYSA-N 2 1 329.410 3.841 20 0 EHADMP COC(=O)c1cccc([C@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171623827 1137501394 /nfs/dbraw/zinc/50/13/94/1137501394.db2.gz HIHLUVWYPBULQH-AWEZNQCLSA-N 2 1 332.488 3.775 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1(C)C ZINC001171636875 1137504304 /nfs/dbraw/zinc/50/43/04/1137504304.db2.gz JARPGNDHRLDXRG-LJQANCHMSA-N 2 1 329.532 3.627 20 0 EHADMP CN1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC001171636875 1137504306 /nfs/dbraw/zinc/50/43/06/1137504306.db2.gz JARPGNDHRLDXRG-LJQANCHMSA-N 2 1 329.532 3.627 20 0 EHADMP CN1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC001171636875 1137504308 /nfs/dbraw/zinc/50/43/08/1137504308.db2.gz JARPGNDHRLDXRG-LJQANCHMSA-N 2 1 329.532 3.627 20 0 EHADMP CCCc1noc([C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171641409 1137504869 /nfs/dbraw/zinc/50/48/69/1137504869.db2.gz GNRWVHWOLMVJGF-HNNXBMFYSA-N 2 1 348.535 3.853 20 0 EHADMP COc1ccc2c(c1)c(C[NH3+])cn2[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733472 1137505055 /nfs/dbraw/zinc/50/50/55/1137505055.db2.gz TWHPBWNDHNFRCU-LPHOPBHVSA-N 2 1 349.478 3.944 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171737093 1137510465 /nfs/dbraw/zinc/51/04/65/1137510465.db2.gz ATMZAYZRKDZKDK-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171737093 1137510467 /nfs/dbraw/zinc/51/04/67/1137510467.db2.gz ATMZAYZRKDZKDK-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171737093 1137510469 /nfs/dbraw/zinc/51/04/69/1137510469.db2.gz ATMZAYZRKDZKDK-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](n2cncc2-c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171740955 1137511295 /nfs/dbraw/zinc/51/12/95/1137511295.db2.gz MHIZHEMSQUETSK-DYESRHJHSA-N 2 1 346.478 3.844 20 0 EHADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962177 1137519540 /nfs/dbraw/zinc/51/95/40/1137519540.db2.gz BSJJKIUUYUZDEI-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@H](NCC[NH+]2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962926 1137519784 /nfs/dbraw/zinc/51/97/84/1137519784.db2.gz DGVPAIHYBDKVIC-OAQYLSRUSA-N 2 1 343.559 3.895 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171972535 1137524219 /nfs/dbraw/zinc/52/42/19/1137524219.db2.gz QXGOPSDTBMLJGF-OAQYLSRUSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171972535 1137524220 /nfs/dbraw/zinc/52/42/20/1137524220.db2.gz QXGOPSDTBMLJGF-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974948 1137524674 /nfs/dbraw/zinc/52/46/74/1137524674.db2.gz BDQQMWVGHUQVOY-FPOVZHCZSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974948 1137524675 /nfs/dbraw/zinc/52/46/75/1137524675.db2.gz BDQQMWVGHUQVOY-FPOVZHCZSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974948 1137524677 /nfs/dbraw/zinc/52/46/77/1137524677.db2.gz BDQQMWVGHUQVOY-FPOVZHCZSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974948 1137524678 /nfs/dbraw/zinc/52/46/78/1137524678.db2.gz BDQQMWVGHUQVOY-FPOVZHCZSA-N 2 1 330.516 3.667 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977927 1137525642 /nfs/dbraw/zinc/52/56/42/1137525642.db2.gz UZUIWBUVWUKAMV-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977927 1137525643 /nfs/dbraw/zinc/52/56/43/1137525643.db2.gz UZUIWBUVWUKAMV-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977927 1137525644 /nfs/dbraw/zinc/52/56/44/1137525644.db2.gz UZUIWBUVWUKAMV-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977927 1137525645 /nfs/dbraw/zinc/52/56/45/1137525645.db2.gz UZUIWBUVWUKAMV-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP CCOC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171979391 1137525884 /nfs/dbraw/zinc/52/58/84/1137525884.db2.gz AOYKFDPJAGQIEA-LJQANCHMSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@H](NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171984302 1137527049 /nfs/dbraw/zinc/52/70/49/1137527049.db2.gz UWZZMMZITWHFJP-OAQYLSRUSA-N 2 1 343.559 3.895 20 0 EHADMP CC1(C)C[C@H](N2CCC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171984241 1137527202 /nfs/dbraw/zinc/52/72/02/1137527202.db2.gz JLSZAOGRNFLOFN-NHCUHLMSSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CCC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984241 1137527204 /nfs/dbraw/zinc/52/72/04/1137527204.db2.gz JLSZAOGRNFLOFN-NHCUHLMSSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CCC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984241 1137527206 /nfs/dbraw/zinc/52/72/06/1137527206.db2.gz JLSZAOGRNFLOFN-NHCUHLMSSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C23CCC(O)(CC2)CC3)CC[N@H+]1Cc1ccccc1 ZINC001171983507 1137527310 /nfs/dbraw/zinc/52/73/10/1137527310.db2.gz OLDRXDPFZBWUAU-KPQWGBOZSA-N 2 1 342.527 3.857 20 0 EHADMP CC(C)O[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983778 1137527385 /nfs/dbraw/zinc/52/73/85/1137527385.db2.gz AMSDDMREWCUEDR-UXHICEINSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983778 1137527386 /nfs/dbraw/zinc/52/73/86/1137527386.db2.gz AMSDDMREWCUEDR-UXHICEINSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983778 1137527387 /nfs/dbraw/zinc/52/73/87/1137527387.db2.gz AMSDDMREWCUEDR-UXHICEINSA-N 2 1 330.516 3.929 20 0 EHADMP C[N@@H+](C1CC1)[C@@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986334 1137527754 /nfs/dbraw/zinc/52/77/54/1137527754.db2.gz GRIMERYXPKOZAT-NHCUHLMSSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986334 1137527756 /nfs/dbraw/zinc/52/77/56/1137527756.db2.gz GRIMERYXPKOZAT-NHCUHLMSSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986334 1137527757 /nfs/dbraw/zinc/52/77/57/1137527757.db2.gz GRIMERYXPKOZAT-NHCUHLMSSA-N 2 1 341.543 3.598 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCOC2)C3)cc1 ZINC001172061141 1137529213 /nfs/dbraw/zinc/52/92/13/1137529213.db2.gz FTLZBHWVCOOXBB-MXEMCNAFSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172070384 1137529810 /nfs/dbraw/zinc/52/98/10/1137529810.db2.gz NVXHHFVYIDPHSA-MXEMCNAFSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC001172064977 1137532959 /nfs/dbraw/zinc/53/29/59/1137532959.db2.gz GOVZQLFDKHPAQQ-LWYYNNOASA-N 2 1 328.500 3.729 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064059 1137532993 /nfs/dbraw/zinc/53/29/93/1137532993.db2.gz FAVBSKZVZPCWRM-MZADTFQBSA-N 3 1 329.532 3.504 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172064059 1137532994 /nfs/dbraw/zinc/53/29/94/1137532994.db2.gz FAVBSKZVZPCWRM-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](NCC[NH+]2CCCCC2)C3)cc1 ZINC001172067381 1137533639 /nfs/dbraw/zinc/53/36/39/1137533639.db2.gz NAQNZNYAAWXVPM-DKUWSORSSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCN2CCCCC2)C3)cc1 ZINC001172067381 1137533640 /nfs/dbraw/zinc/53/36/40/1137533640.db2.gz NAQNZNYAAWXVPM-DKUWSORSSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCN2CCCCC2)C3)cc1 ZINC001172067381 1137533642 /nfs/dbraw/zinc/53/36/42/1137533642.db2.gz NAQNZNYAAWXVPM-DKUWSORSSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070101 1137535096 /nfs/dbraw/zinc/53/50/96/1137535096.db2.gz WZBUOEJEDYRFJY-BDHVOXNPSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070101 1137535097 /nfs/dbraw/zinc/53/50/97/1137535097.db2.gz WZBUOEJEDYRFJY-BDHVOXNPSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070101 1137535098 /nfs/dbraw/zinc/53/50/98/1137535098.db2.gz WZBUOEJEDYRFJY-BDHVOXNPSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070101 1137535099 /nfs/dbraw/zinc/53/50/99/1137535099.db2.gz WZBUOEJEDYRFJY-BDHVOXNPSA-N 2 1 340.511 3.683 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]1OCc1ccccc1)C2 ZINC001172105978 1137536602 /nfs/dbraw/zinc/53/66/02/1137536602.db2.gz LVJTUBAGEFYGDS-SSTJLMRISA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]1OCc1ccccc1)C2 ZINC001172105978 1137536603 /nfs/dbraw/zinc/53/66/03/1137536603.db2.gz LVJTUBAGEFYGDS-SSTJLMRISA-N 2 1 328.500 3.729 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001172109170 1137537000 /nfs/dbraw/zinc/53/70/00/1137537000.db2.gz CBQUGTQZFNODDZ-REPLKXPHSA-N 2 1 348.918 3.639 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001172109170 1137537002 /nfs/dbraw/zinc/53/70/02/1137537002.db2.gz CBQUGTQZFNODDZ-REPLKXPHSA-N 2 1 348.918 3.639 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001172107992 1137537252 /nfs/dbraw/zinc/53/72/52/1137537252.db2.gz NFTFBPJFMHRJKB-FYKMYLNBSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107992 1137537254 /nfs/dbraw/zinc/53/72/54/1137537254.db2.gz NFTFBPJFMHRJKB-FYKMYLNBSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107992 1137537255 /nfs/dbraw/zinc/53/72/55/1137537255.db2.gz NFTFBPJFMHRJKB-FYKMYLNBSA-N 2 1 341.543 3.644 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)C2 ZINC001172112949 1137537839 /nfs/dbraw/zinc/53/78/39/1137537839.db2.gz BBLJLOKXSCZBCX-PHZGNYQRSA-N 2 1 326.406 3.853 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114267 1137538172 /nfs/dbraw/zinc/53/81/72/1137538172.db2.gz PSXKNQLGVODAKY-FVQHAEBGSA-N 2 1 335.289 3.780 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114267 1137538173 /nfs/dbraw/zinc/53/81/73/1137538173.db2.gz PSXKNQLGVODAKY-FVQHAEBGSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114267 1137538174 /nfs/dbraw/zinc/53/81/74/1137538174.db2.gz PSXKNQLGVODAKY-FVQHAEBGSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114267 1137538175 /nfs/dbraw/zinc/53/81/75/1137538175.db2.gz PSXKNQLGVODAKY-FVQHAEBGSA-N 2 1 335.289 3.780 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(COc3ccccc3)CC1)C2 ZINC001172122720 1137538903 /nfs/dbraw/zinc/53/89/03/1137538903.db2.gz SWRYZTODQMEPIE-ACDBMABISA-N 2 1 328.500 3.793 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(COc3ccccc3)CC1)C2 ZINC001172122720 1137538905 /nfs/dbraw/zinc/53/89/05/1137538905.db2.gz SWRYZTODQMEPIE-ACDBMABISA-N 2 1 328.500 3.793 20 0 EHADMP COCCC[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CCC2)CC1 ZINC001172250799 1137544904 /nfs/dbraw/zinc/54/49/04/1137544904.db2.gz VTYVYBDVJCKTOG-UHFFFAOYSA-N 2 1 336.907 3.810 20 0 EHADMP CC[C@H](CC(C)C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001172403457 1137555326 /nfs/dbraw/zinc/55/53/26/1137555326.db2.gz SRYHELLJINVLAZ-LJQANCHMSA-N 2 1 334.504 3.771 20 0 EHADMP CC[C@H](CC(C)C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001172403457 1137555328 /nfs/dbraw/zinc/55/53/28/1137555328.db2.gz SRYHELLJINVLAZ-LJQANCHMSA-N 2 1 334.504 3.771 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172421276 1137556451 /nfs/dbraw/zinc/55/64/51/1137556451.db2.gz RNICTUQQLMZGHY-PKOBYXMFSA-N 2 1 334.504 3.771 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000872021083 1137565175 /nfs/dbraw/zinc/56/51/75/1137565175.db2.gz OAAMYARXHHYFIC-UXHICEINSA-N 2 1 330.516 3.618 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000872021083 1137565176 /nfs/dbraw/zinc/56/51/76/1137565176.db2.gz OAAMYARXHHYFIC-UXHICEINSA-N 2 1 330.516 3.618 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872061438 1137568849 /nfs/dbraw/zinc/56/88/49/1137568849.db2.gz YQDWZAQVEKZSPD-HZEGPAAWSA-N 2 1 330.516 3.692 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCCC2 ZINC000872076816 1137569964 /nfs/dbraw/zinc/56/99/64/1137569964.db2.gz SVCRREKQDHHYAN-PHSGOXPASA-N 2 1 344.499 3.686 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000872137684 1137573723 /nfs/dbraw/zinc/57/37/23/1137573723.db2.gz QQICOBCLCDPLQR-VXKWHMMOSA-N 2 1 338.495 3.753 20 0 EHADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000872155002 1137573984 /nfs/dbraw/zinc/57/39/84/1137573984.db2.gz JFXYMZQKEAYYRD-UHFFFAOYSA-N 2 1 346.302 3.773 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1C(F)(F)F ZINC000872149805 1137574081 /nfs/dbraw/zinc/57/40/81/1137574081.db2.gz BLEYBHSIDAKXQM-PXAZEXFGSA-N 2 1 332.369 3.825 20 0 EHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000873232520 1137594585 /nfs/dbraw/zinc/59/45/85/1137594585.db2.gz SBPQGEHSBBXFSL-DNVCBOLYSA-N 3 1 347.572 3.513 20 0 EHADMP Clc1ccc2sc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2n1 ZINC000876761014 1137660605 /nfs/dbraw/zinc/66/06/05/1137660605.db2.gz XBMGOECQUBSYET-CYBMUJFWSA-N 2 1 335.904 3.867 20 0 EHADMP Clc1ccc2sc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2n1 ZINC000876761014 1137660606 /nfs/dbraw/zinc/66/06/06/1137660606.db2.gz XBMGOECQUBSYET-CYBMUJFWSA-N 2 1 335.904 3.867 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000877630532 1137683653 /nfs/dbraw/zinc/68/36/53/1137683653.db2.gz KTZBQWLSZCSSMN-WCJKSRRJSA-N 2 1 330.453 3.706 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000877630532 1137683654 /nfs/dbraw/zinc/68/36/54/1137683654.db2.gz KTZBQWLSZCSSMN-WCJKSRRJSA-N 2 1 330.453 3.706 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638436 1137683855 /nfs/dbraw/zinc/68/38/55/1137683855.db2.gz GSNKLXMFQILSOL-WBVHZDCISA-N 2 1 334.554 3.750 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638436 1137683856 /nfs/dbraw/zinc/68/38/56/1137683856.db2.gz GSNKLXMFQILSOL-WBVHZDCISA-N 2 1 334.554 3.750 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878048629 1137700618 /nfs/dbraw/zinc/70/06/18/1137700618.db2.gz TXBUUZSGBNVZAB-LEWJYISDSA-N 2 1 330.516 3.959 20 0 EHADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878339579 1137711478 /nfs/dbraw/zinc/71/14/78/1137711478.db2.gz OSUKFARTJYTQAB-UXHICEINSA-N 2 1 328.500 3.857 20 0 EHADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878339579 1137711479 /nfs/dbraw/zinc/71/14/79/1137711479.db2.gz OSUKFARTJYTQAB-UXHICEINSA-N 2 1 328.500 3.857 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cc1 ZINC000878369359 1137713193 /nfs/dbraw/zinc/71/31/93/1137713193.db2.gz LNFDJSXAVGHWDL-HNAYVOBHSA-N 2 1 325.456 3.933 20 0 EHADMP C[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608626 1137722048 /nfs/dbraw/zinc/72/20/48/1137722048.db2.gz XVOZDAXHNZNFQX-SPYJTGKRSA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608626 1137722049 /nfs/dbraw/zinc/72/20/49/1137722049.db2.gz XVOZDAXHNZNFQX-SPYJTGKRSA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608626 1137722050 /nfs/dbraw/zinc/72/20/50/1137722050.db2.gz XVOZDAXHNZNFQX-SPYJTGKRSA-N 2 1 328.500 3.854 20 0 EHADMP C[N@H+](Cc1ccc2ccc(Cl)cc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608549 1137722098 /nfs/dbraw/zinc/72/20/98/1137722098.db2.gz WACYIOVBCQZXTD-JWTNVVGKSA-N 2 1 329.875 3.945 20 0 EHADMP C[N@@H+](Cc1ccc2ccc(Cl)cc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608549 1137722099 /nfs/dbraw/zinc/72/20/99/1137722099.db2.gz WACYIOVBCQZXTD-JWTNVVGKSA-N 2 1 329.875 3.945 20 0 EHADMP C[NH+](Cc1ccc2ccc(Cl)cc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608549 1137722100 /nfs/dbraw/zinc/72/21/00/1137722100.db2.gz WACYIOVBCQZXTD-JWTNVVGKSA-N 2 1 329.875 3.945 20 0 EHADMP C[NH+](Cc1ccc2ccc(Cl)cc2n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608549 1137722101 /nfs/dbraw/zinc/72/21/01/1137722101.db2.gz WACYIOVBCQZXTD-JWTNVVGKSA-N 2 1 329.875 3.945 20 0 EHADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000880476077 1137779926 /nfs/dbraw/zinc/77/99/26/1137779926.db2.gz NGTASQRYUVWAPL-PMACEKPBSA-N 2 1 328.500 3.857 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176310 1137847369 /nfs/dbraw/zinc/84/73/69/1137847369.db2.gz ZYRDCSPYTOCCOS-UZLBHIALSA-N 2 1 334.479 3.615 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883366483 1137857863 /nfs/dbraw/zinc/85/78/63/1137857863.db2.gz UJHZSDGUGWOKKA-WJMWBRGCSA-N 2 1 328.500 3.588 20 0 EHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001202656085 1137908981 /nfs/dbraw/zinc/90/89/81/1137908981.db2.gz QXEVOLPAIYAIJN-YESZJQIVSA-N 2 1 341.540 3.532 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001202656085 1137908982 /nfs/dbraw/zinc/90/89/82/1137908982.db2.gz QXEVOLPAIYAIJN-YESZJQIVSA-N 2 1 341.540 3.532 20 0 EHADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397203 1137925609 /nfs/dbraw/zinc/92/56/09/1137925609.db2.gz DWNONADCVBEGGV-IAGOWNOFSA-N 2 1 333.520 3.586 20 0 EHADMP C[C@@H]1C[N@@H+](CCCc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205981059 1137962610 /nfs/dbraw/zinc/96/26/10/1137962610.db2.gz BNVIRPLROQFXPB-GDBMZVCRSA-N 2 1 339.321 3.689 20 0 EHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000885956860 1138028420 /nfs/dbraw/zinc/02/84/20/1138028420.db2.gz ZZPGMWCLYOJGIA-CQSZACIVSA-N 2 1 335.904 3.798 20 0 EHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000885956860 1138028422 /nfs/dbraw/zinc/02/84/22/1138028422.db2.gz ZZPGMWCLYOJGIA-CQSZACIVSA-N 2 1 335.904 3.798 20 0 EHADMP Cc1coc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000886036932 1138034130 /nfs/dbraw/zinc/03/41/30/1138034130.db2.gz DEOVFFNTBFLSND-UHFFFAOYSA-N 2 1 327.472 3.978 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC001212807304 1138044054 /nfs/dbraw/zinc/04/40/54/1138044054.db2.gz VZXKWORLJNYGMD-UHFFFAOYSA-N 2 1 336.439 3.865 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517457 1138088447 /nfs/dbraw/zinc/08/84/47/1138088447.db2.gz DTWSDADWMUDUAU-TZIWHRDSSA-N 2 1 340.515 3.619 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605390 1138100978 /nfs/dbraw/zinc/10/09/78/1138100978.db2.gz PNSJCWZPQDFVJY-RTWAWAEBSA-N 2 1 340.515 3.619 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000072633045 1138106622 /nfs/dbraw/zinc/10/66/22/1138106622.db2.gz ZHPJQEWPZGSATF-UHFFFAOYSA-N 2 1 345.531 3.768 20 0 EHADMP COc1ccc(OCCC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886669715 1138111946 /nfs/dbraw/zinc/11/19/46/1138111946.db2.gz COEVBSIKQDZPQU-UHFFFAOYSA-N 2 1 343.471 3.684 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000089515643 1138200385 /nfs/dbraw/zinc/20/03/85/1138200385.db2.gz WPBFQDUMWKFBGQ-QBPKDAKJSA-N 2 1 336.545 3.742 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253454 1138226271 /nfs/dbraw/zinc/22/62/71/1138226271.db2.gz PBHWBMUKCWXUTQ-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253454 1138226272 /nfs/dbraw/zinc/22/62/72/1138226272.db2.gz PBHWBMUKCWXUTQ-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253454 1138226273 /nfs/dbraw/zinc/22/62/73/1138226273.db2.gz PBHWBMUKCWXUTQ-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253454 1138226275 /nfs/dbraw/zinc/22/62/75/1138226275.db2.gz PBHWBMUKCWXUTQ-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(C)ccc1OC ZINC000093404551 1138237528 /nfs/dbraw/zinc/23/75/28/1138237528.db2.gz YVXAKILUTJZJHD-LJQANCHMSA-N 2 1 334.504 3.545 20 0 EHADMP Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(C(C)C)n1 ZINC000336958280 1138434599 /nfs/dbraw/zinc/43/45/99/1138434599.db2.gz YLLVUBKWSMHLTK-MRXNPFEDSA-N 2 1 339.487 3.825 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3c(Cl)cnn3C)cc2)C1 ZINC000130496371 1138458428 /nfs/dbraw/zinc/45/84/28/1138458428.db2.gz USHVCOHNQGGVNC-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2)C1 ZINC000130496371 1138458430 /nfs/dbraw/zinc/45/84/30/1138458430.db2.gz USHVCOHNQGGVNC-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2)C1 ZINC000130496371 1138458432 /nfs/dbraw/zinc/45/84/32/1138458432.db2.gz USHVCOHNQGGVNC-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000337992945 1138718627 /nfs/dbraw/zinc/71/86/27/1138718627.db2.gz GZYIVYJPYLRNEG-XLIONFOSSA-N 2 1 334.479 3.527 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCc2nc(-c3cccs3)no2)CC1 ZINC000338252982 1138801968 /nfs/dbraw/zinc/80/19/68/1138801968.db2.gz DNAPDJAHRFIYLJ-UHFFFAOYSA-N 2 1 348.516 3.535 20 0 EHADMP COc1ccc(C[N@@H+](CCCn2ccnc2)CC2CCC2)c(OC)c1 ZINC000338331334 1138836071 /nfs/dbraw/zinc/83/60/71/1138836071.db2.gz GBAUQUNULBHVFD-UHFFFAOYSA-N 2 1 343.471 3.593 20 0 EHADMP Clc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150801952 1138983361 /nfs/dbraw/zinc/98/33/61/1138983361.db2.gz OCULKFAJXLVQCB-OAHLLOKOSA-N 2 1 329.875 3.806 20 0 EHADMP Clc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150801952 1138983365 /nfs/dbraw/zinc/98/33/65/1138983365.db2.gz OCULKFAJXLVQCB-OAHLLOKOSA-N 2 1 329.875 3.806 20 0 EHADMP CCC(CC)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180144992 1139812083 /nfs/dbraw/zinc/81/20/83/1139812083.db2.gz WSOJWQMYTRJWCZ-OTYNDTSQSA-N 2 1 330.516 3.569 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000182232384 1139959547 /nfs/dbraw/zinc/95/95/47/1139959547.db2.gz ULXYIAWTYPZVPE-YADHBBJMSA-N 2 1 338.495 3.884 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)s1 ZINC000182272316 1139962517 /nfs/dbraw/zinc/96/25/17/1139962517.db2.gz IVHJOJQASVCDLJ-KXBFYZLASA-N 2 1 344.524 3.782 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691996 1140163705 /nfs/dbraw/zinc/16/37/05/1140163705.db2.gz LPDFZDGOIHALCC-DOXZYTNZSA-N 2 1 336.907 3.616 20 0 EHADMP CC1(C)OCc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc2O1 ZINC000187442665 1140255752 /nfs/dbraw/zinc/25/57/52/1140255752.db2.gz KSFMBADECMHLIH-UHFFFAOYSA-N 2 1 344.499 3.828 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000191507515 1140468403 /nfs/dbraw/zinc/46/84/03/1140468403.db2.gz MFUKCXNHTFXKQK-UHFFFAOYSA-N 2 1 337.471 3.543 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193174027 1140566495 /nfs/dbraw/zinc/56/64/95/1140566495.db2.gz WMUSSDVIABHFAR-HNNXBMFYSA-N 2 1 333.501 3.861 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193174027 1140566497 /nfs/dbraw/zinc/56/64/97/1140566497.db2.gz WMUSSDVIABHFAR-HNNXBMFYSA-N 2 1 333.501 3.861 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268756424 1140984746 /nfs/dbraw/zinc/98/47/46/1140984746.db2.gz JROUWRNSKBGBQJ-QAPCUYQASA-N 2 1 329.513 3.637 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268756424 1140984751 /nfs/dbraw/zinc/98/47/51/1140984751.db2.gz JROUWRNSKBGBQJ-QAPCUYQASA-N 2 1 329.513 3.637 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268816237 1140998198 /nfs/dbraw/zinc/99/81/98/1140998198.db2.gz NSEDMSYYXXVULU-CQSZACIVSA-N 2 1 340.496 3.898 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268844672 1141007202 /nfs/dbraw/zinc/00/72/02/1141007202.db2.gz ONHDZACWNLPDGM-IRXDYDNUSA-N 2 1 346.519 3.599 20 0 EHADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000268872285 1141015227 /nfs/dbraw/zinc/01/52/27/1141015227.db2.gz VRRCXKWOWCXHFL-KRWDZBQOSA-N 2 1 345.314 3.881 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000268878616 1141016779 /nfs/dbraw/zinc/01/67/79/1141016779.db2.gz AJBSANKAKMCIJB-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928655 1141027764 /nfs/dbraw/zinc/02/77/64/1141027764.db2.gz YUPLIQGJKKFQLJ-MSOLQXFVSA-N 2 1 326.488 3.643 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268984004 1141039729 /nfs/dbraw/zinc/03/97/29/1141039729.db2.gz DOPUQSURCPKYKW-VQIMIIECSA-N 2 1 343.902 3.778 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268984004 1141039736 /nfs/dbraw/zinc/03/97/36/1141039736.db2.gz DOPUQSURCPKYKW-VQIMIIECSA-N 2 1 343.902 3.778 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000271151942 1141315190 /nfs/dbraw/zinc/31/51/90/1141315190.db2.gz QJSFXUKCAZBRBX-MJGOQNOKSA-N 2 1 328.500 3.778 20 0 EHADMP C[N@H+](CCCC1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274221907 1141487011 /nfs/dbraw/zinc/48/70/11/1141487011.db2.gz PWHFGXSLYPOULM-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP C[N@@H+](CCCC1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274221907 1141487015 /nfs/dbraw/zinc/48/70/15/1141487015.db2.gz PWHFGXSLYPOULM-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CCC)CC2)cc1 ZINC000339168370 1141516162 /nfs/dbraw/zinc/51/61/62/1141516162.db2.gz VKRGBIFCHOZKFQ-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP CSCc1cnc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000339183528 1141521418 /nfs/dbraw/zinc/52/14/18/1141521418.db2.gz PDQLVZAFJXGOFF-CQSZACIVSA-N 2 1 327.563 3.750 20 0 EHADMP Brc1cccc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000037141048 518220746 /nfs/dbraw/zinc/22/07/46/518220746.db2.gz HFPRRZZNTTZIKD-UHFFFAOYSA-N 2 1 349.316 3.912 20 0 EHADMP c1cc2c[nH+]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2[nH]1 ZINC001164628888 719060265 /nfs/dbraw/zinc/06/02/65/719060265.db2.gz UHFRPPMADIJZQN-UYAOXDASSA-N 2 1 332.451 3.664 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165018737 721797458 /nfs/dbraw/zinc/79/74/58/721797458.db2.gz CJKWWZRZYWYPFX-DFQSSKMNSA-N 2 1 336.483 3.522 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165018737 721797459 /nfs/dbraw/zinc/79/74/59/721797459.db2.gz CJKWWZRZYWYPFX-DFQSSKMNSA-N 2 1 336.483 3.522 20 0 EHADMP Cc1c[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1C ZINC001164955294 722022639 /nfs/dbraw/zinc/02/26/39/722022639.db2.gz DNXABTNAAHGCRQ-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP Cc1cc(Br)cc(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459395805 1032059239 /nfs/dbraw/zinc/05/92/39/1032059239.db2.gz ZDSXUZDNDFLHSI-UHFFFAOYSA-N 2 1 337.305 3.782 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C(C)(C)O1 ZINC000153253857 1125461507 /nfs/dbraw/zinc/46/15/07/1125461507.db2.gz OZDQPBPCLUMHRN-IBGZPJMESA-N 2 1 330.516 3.629 20 0 EHADMP Cc1c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)sc2nc(C)nc(C)c12 ZINC000763607523 1125462870 /nfs/dbraw/zinc/46/28/70/1125462870.db2.gz SPOGOMREDSJFTP-OAHLLOKOSA-N 2 1 332.517 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)sc2nc(C)nc(C)c12 ZINC000763607523 1125462873 /nfs/dbraw/zinc/46/28/73/1125462873.db2.gz SPOGOMREDSJFTP-OAHLLOKOSA-N 2 1 332.517 3.533 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000536660406 1032073538 /nfs/dbraw/zinc/07/35/38/1032073538.db2.gz HKIDPOJMWFAOGP-KSSFIOAISA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000536660406 1032073550 /nfs/dbraw/zinc/07/35/50/1032073550.db2.gz HKIDPOJMWFAOGP-KSSFIOAISA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000536660406 1032073564 /nfs/dbraw/zinc/07/35/64/1032073564.db2.gz HKIDPOJMWFAOGP-KSSFIOAISA-N 2 1 346.906 3.892 20 0 EHADMP COc1cc(F)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405643 1014258999 /nfs/dbraw/zinc/25/89/99/1014258999.db2.gz ZJGIKECVOPKBSG-UZLBHIALSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405643 1014259004 /nfs/dbraw/zinc/25/90/04/1014259004.db2.gz ZJGIKECVOPKBSG-UZLBHIALSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405643 1014259011 /nfs/dbraw/zinc/25/90/11/1014259011.db2.gz ZJGIKECVOPKBSG-UZLBHIALSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405643 1014259015 /nfs/dbraw/zinc/25/90/15/1014259015.db2.gz ZJGIKECVOPKBSG-UZLBHIALSA-N 2 1 342.458 3.977 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000377559449 1016459808 /nfs/dbraw/zinc/45/98/08/1016459808.db2.gz CZNLJIZPLILBHU-SLYNCCJLSA-N 2 1 336.479 3.663 20 0 EHADMP c1ccc([C@@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275435480 1016772544 /nfs/dbraw/zinc/77/25/44/1016772544.db2.gz DJRNSTNZGZSPDQ-WOJBJXKFSA-N 2 1 328.500 3.557 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459460462 1032159650 /nfs/dbraw/zinc/15/96/50/1032159650.db2.gz FMHROSDLUHKWTI-ZDUSSCGKSA-N 2 1 342.405 3.689 20 0 EHADMP Cc1cc(N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000459459031 1032159818 /nfs/dbraw/zinc/15/98/18/1032159818.db2.gz HSWGTWZCJUSMIH-UHFFFAOYSA-N 2 1 344.890 3.548 20 0 EHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449074780 1032162714 /nfs/dbraw/zinc/16/27/14/1032162714.db2.gz VDQDBOVVXMKLMZ-LBPRGKRZSA-N 2 1 343.298 3.977 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379616144 1032174521 /nfs/dbraw/zinc/17/45/21/1032174521.db2.gz BRFKWXNGQLYWFG-QZTJIDSGSA-N 2 1 326.484 3.823 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000449109687 1032189662 /nfs/dbraw/zinc/18/96/62/1032189662.db2.gz XOAZOLBDYAJWPO-IYBDPMFKSA-N 2 1 344.524 3.956 20 0 EHADMP CCC[N@H+]1CC[C@@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449093879 1032201891 /nfs/dbraw/zinc/20/18/91/1032201891.db2.gz QBWFWWUXQGFHRM-SFHVURJKSA-N 2 1 337.596 3.987 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449093879 1032201903 /nfs/dbraw/zinc/20/19/03/1032201903.db2.gz QBWFWWUXQGFHRM-SFHVURJKSA-N 3 1 337.596 3.987 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449093879 1032201912 /nfs/dbraw/zinc/20/19/12/1032201912.db2.gz QBWFWWUXQGFHRM-SFHVURJKSA-N 3 1 337.596 3.987 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000459493323 1032215622 /nfs/dbraw/zinc/21/56/22/1032215622.db2.gz PHMFVNXYXWUCOI-MRXNPFEDSA-N 2 1 348.288 3.638 20 0 EHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000657843519 1032217374 /nfs/dbraw/zinc/21/73/74/1032217374.db2.gz ZWCTZVDTIGISKU-WBVHZDCISA-N 2 1 328.422 3.958 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449146748 1032249548 /nfs/dbraw/zinc/24/95/48/1032249548.db2.gz DGYWXBYNTVDADV-YLJYHZDGSA-N 2 1 328.500 3.903 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000449179461 1032292814 /nfs/dbraw/zinc/29/28/14/1032292814.db2.gz ZZKIGFKEASLZRW-BVYCBKJFSA-N 3 1 343.559 3.544 20 0 EHADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440242 1032299388 /nfs/dbraw/zinc/29/93/88/1032299388.db2.gz KRPKRKNPKUCEQI-MMOPVJDHSA-N 2 1 348.506 3.626 20 0 EHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000459602430 1032323327 /nfs/dbraw/zinc/32/33/27/1032323327.db2.gz ZQEAAGSILLKSDS-UHFFFAOYSA-N 2 1 332.517 3.546 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000536844267 1032338880 /nfs/dbraw/zinc/33/88/80/1032338880.db2.gz GMTOKEJZPFKFJK-BMFZPTHFSA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000536844267 1032338894 /nfs/dbraw/zinc/33/88/94/1032338894.db2.gz GMTOKEJZPFKFJK-BMFZPTHFSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000394998149 1032345067 /nfs/dbraw/zinc/34/50/67/1032345067.db2.gz IFVLTHPQEIARIH-XMSQKQJNSA-N 2 1 338.495 3.738 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000081633460 1032356002 /nfs/dbraw/zinc/35/60/02/1032356002.db2.gz IOSQYSGRWXTQHW-KRWDZBQOSA-N 2 1 341.524 3.974 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](OC(C)C)C3(C)C)CC2)[nH+]1 ZINC000185227075 1032369656 /nfs/dbraw/zinc/36/96/56/1032369656.db2.gz CKABOKAPFFUJJS-MSOLQXFVSA-N 2 1 331.504 3.541 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H]3C[C@@H](OC(C)C)C3(C)C)CC2)[nH+]1 ZINC000185227126 1032369690 /nfs/dbraw/zinc/36/96/90/1032369690.db2.gz CKABOKAPFFUJJS-ZWKOTPCHSA-N 2 1 331.504 3.541 20 0 EHADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2cccnc2)CC1 ZINC000185258682 1032373716 /nfs/dbraw/zinc/37/37/16/1032373716.db2.gz SAVLBSZXFRZHQH-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2ccncc2)CC1 ZINC000185252676 1032373943 /nfs/dbraw/zinc/37/39/43/1032373943.db2.gz QEMUNFWZYBIMOQ-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449325867 1032438282 /nfs/dbraw/zinc/43/82/82/1032438282.db2.gz QBTRUUUREFMCKD-UHFFFAOYSA-N 2 1 344.478 3.534 20 0 EHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449325867 1032438287 /nfs/dbraw/zinc/43/82/87/1032438287.db2.gz QBTRUUUREFMCKD-UHFFFAOYSA-N 2 1 344.478 3.534 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892741200 1017284470 /nfs/dbraw/zinc/28/44/70/1017284470.db2.gz RGCJADDEPPZDQI-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892741200 1017284483 /nfs/dbraw/zinc/28/44/83/1017284483.db2.gz RGCJADDEPPZDQI-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP CC[C@@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000449402891 1032527459 /nfs/dbraw/zinc/52/74/59/1032527459.db2.gz NRHNDXGXEJKTMZ-FWZVCBSNSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000237761799 1017138664 /nfs/dbraw/zinc/13/86/64/1017138664.db2.gz IXTXTZIAXCHCFN-UHFFFAOYSA-N 2 1 326.459 3.931 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468557506 1017358066 /nfs/dbraw/zinc/35/80/66/1017358066.db2.gz YYDDVOCYQJAGIZ-BZPMIXESSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468557506 1017358078 /nfs/dbraw/zinc/35/80/78/1017358078.db2.gz YYDDVOCYQJAGIZ-BZPMIXESSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000378888446 1017365914 /nfs/dbraw/zinc/36/59/14/1017365914.db2.gz OXPBJBDLDCPBBE-WIYYLYMNSA-N 2 1 329.532 3.756 20 0 EHADMP c1cn2cc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)sc2n1 ZINC000892773927 1017394789 /nfs/dbraw/zinc/39/47/89/1017394789.db2.gz GFXWKUNDIXOXQZ-UHFFFAOYSA-N 2 1 332.517 3.530 20 0 EHADMP CC(C)c1ccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655716178 1017449779 /nfs/dbraw/zinc/44/97/79/1017449779.db2.gz QYQCTPRKSBFWCT-OAQYLSRUSA-N 2 1 330.516 3.586 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655719000 1017455511 /nfs/dbraw/zinc/45/55/11/1017455511.db2.gz SBLCARVFEUAZSH-OAQYLSRUSA-N 2 1 344.543 3.977 20 0 EHADMP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OCc1cccs1 ZINC000415052977 1017461821 /nfs/dbraw/zinc/46/18/21/1017461821.db2.gz JMRUKRBDQBKPHT-SFHVURJKSA-N 2 1 348.512 3.799 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056136 1017478788 /nfs/dbraw/zinc/47/87/88/1017478788.db2.gz RNOKJYGWHAJECJ-YJBOKZPZSA-N 2 1 329.875 3.852 20 0 EHADMP [NH3+]CCC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000415055800 1017479032 /nfs/dbraw/zinc/47/90/32/1017479032.db2.gz OUWMRHUALVTSTQ-KRWDZBQOSA-N 2 1 338.480 3.775 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415061267 1017489322 /nfs/dbraw/zinc/48/93/22/1017489322.db2.gz ZXENTIAURJRYDG-GDBMZVCRSA-N 2 1 328.378 3.549 20 0 EHADMP C[C@@H]1C[N@@H+](CC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@H](C)O1 ZINC000091478334 1032702734 /nfs/dbraw/zinc/70/27/34/1032702734.db2.gz LCPBTBTXUXSGQC-GASCZTMLSA-N 2 1 345.512 3.622 20 0 EHADMP C[C@@H]1C[N@H+](CC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@H](C)O1 ZINC000091478334 1032702749 /nfs/dbraw/zinc/70/27/49/1032702749.db2.gz LCPBTBTXUXSGQC-GASCZTMLSA-N 2 1 345.512 3.622 20 0 EHADMP CC[C@H](CSc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738173 1017499767 /nfs/dbraw/zinc/49/97/67/1017499767.db2.gz SOLBYRWPKSMKSS-MJGOQNOKSA-N 2 1 348.556 3.790 20 0 EHADMP Clc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000655742688 1017511657 /nfs/dbraw/zinc/51/16/57/1017511657.db2.gz VRBRQDQZOVWFFZ-LJQANCHMSA-N 2 1 348.918 3.952 20 0 EHADMP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)cn1 ZINC000415080415 1017521203 /nfs/dbraw/zinc/52/12/03/1017521203.db2.gz JFZSVNCPMNUNCX-FGZHOGPDSA-N 2 1 346.478 3.514 20 0 EHADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000415084023 1017527937 /nfs/dbraw/zinc/52/79/37/1017527937.db2.gz OOWTXTNRXOMZLT-HOCLYGCPSA-N 2 1 329.419 3.633 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000415105921 1017560527 /nfs/dbraw/zinc/56/05/27/1017560527.db2.gz ITTSSEAOTVNHJR-MSOLQXFVSA-N 2 1 340.870 3.506 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275602342 1017573439 /nfs/dbraw/zinc/57/34/39/1017573439.db2.gz QKSWFSLWRYIJPX-ZBFHGGJFSA-N 2 1 349.425 3.658 20 0 EHADMP C[N@@H+](CCNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000151025861 1017888421 /nfs/dbraw/zinc/88/84/21/1017888421.db2.gz WMOLTXDMLSXNER-UHFFFAOYSA-N 2 1 329.532 3.505 20 0 EHADMP CN(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000151025861 1017888442 /nfs/dbraw/zinc/88/84/42/1017888442.db2.gz WMOLTXDMLSXNER-UHFFFAOYSA-N 2 1 329.532 3.505 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470277 1017966685 /nfs/dbraw/zinc/96/66/85/1017966685.db2.gz NKKZNZBDSYLNFK-QUCCMNQESA-N 2 1 342.527 3.693 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000580026341 1018175908 /nfs/dbraw/zinc/17/59/08/1018175908.db2.gz FGNOQDKCNGTMSS-IBGZPJMESA-N 2 1 340.858 3.585 20 0 EHADMP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340522424 1018207695 /nfs/dbraw/zinc/20/76/95/1018207695.db2.gz ZESJIBVYPBTWQB-HXUWFJFHSA-N 2 1 328.504 3.538 20 0 EHADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066972 1032759688 /nfs/dbraw/zinc/75/96/88/1032759688.db2.gz NPBSWQWMVVVYSR-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066972 1032759700 /nfs/dbraw/zinc/75/97/00/1032759700.db2.gz NPBSWQWMVVVYSR-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000092066972 1032759711 /nfs/dbraw/zinc/75/97/11/1032759711.db2.gz NPBSWQWMVVVYSR-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000092066972 1032759720 /nfs/dbraw/zinc/75/97/20/1032759720.db2.gz NPBSWQWMVVVYSR-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OCC2CC2)c(F)c1 ZINC000893131875 1018588073 /nfs/dbraw/zinc/58/80/73/1018588073.db2.gz GVQRBPHNFZYKMF-TZUVLKIQSA-N 2 1 332.463 3.890 20 0 EHADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000576398522 1018929435 /nfs/dbraw/zinc/92/94/35/1018929435.db2.gz NZRWSPXFJVWMTR-NRFANRHFSA-N 2 1 343.559 3.892 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CCCCC2)cc1 ZINC000325824982 1018931074 /nfs/dbraw/zinc/93/10/74/1018931074.db2.gz NQDVHQSGDVFACK-HKBOAZHASA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CCCCC2)cc1 ZINC000325824982 1018931086 /nfs/dbraw/zinc/93/10/86/1018931086.db2.gz NQDVHQSGDVFACK-HKBOAZHASA-N 2 1 328.500 3.761 20 0 EHADMP Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CCC[NH2+]C2)c1 ZINC000261757041 1018941216 /nfs/dbraw/zinc/94/12/16/1018941216.db2.gz CQBSCNIFMHWQMM-RBBKRZOGSA-N 2 1 338.495 3.530 20 0 EHADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000449556126 1032799009 /nfs/dbraw/zinc/79/90/09/1032799009.db2.gz KUFVUBIAYIDUFC-AYHJJNSGSA-N 2 1 332.488 3.589 20 0 EHADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000449556126 1032799025 /nfs/dbraw/zinc/79/90/25/1032799025.db2.gz KUFVUBIAYIDUFC-AYHJJNSGSA-N 2 1 332.488 3.589 20 0 EHADMP Cc1nc(C)c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000683897577 1019144256 /nfs/dbraw/zinc/14/42/56/1019144256.db2.gz CQSCYINXOAKBII-HNAYVOBHSA-N 2 1 327.472 3.776 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167936998 1019236834 /nfs/dbraw/zinc/23/68/34/1019236834.db2.gz QIEZPZLQQKTSCY-WOZUAGRISA-N 2 1 340.511 3.540 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513211805 1019417675 /nfs/dbraw/zinc/41/76/75/1019417675.db2.gz BSRQGGDKIGEPAC-KNQAVFIVSA-N 3 1 343.559 3.751 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513211805 1019417682 /nfs/dbraw/zinc/41/76/82/1019417682.db2.gz BSRQGGDKIGEPAC-KNQAVFIVSA-N 3 1 343.559 3.751 20 0 EHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405706 1019427077 /nfs/dbraw/zinc/42/70/77/1019427077.db2.gz JELRHHBXHZDLKY-WOJBJXKFSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405706 1019427087 /nfs/dbraw/zinc/42/70/87/1019427087.db2.gz JELRHHBXHZDLKY-WOJBJXKFSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405706 1019427093 /nfs/dbraw/zinc/42/70/93/1019427093.db2.gz JELRHHBXHZDLKY-WOJBJXKFSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405706 1019427101 /nfs/dbraw/zinc/42/71/01/1019427101.db2.gz JELRHHBXHZDLKY-WOJBJXKFSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001167405706 1019427110 /nfs/dbraw/zinc/42/71/10/1019427110.db2.gz JELRHHBXHZDLKY-WOJBJXKFSA-N 2 1 332.532 3.628 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000289672032 1019448819 /nfs/dbraw/zinc/44/88/19/1019448819.db2.gz ZTAKZQLZAUGJOL-AOIWGVFYSA-N 2 1 343.515 3.730 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000289672032 1019448836 /nfs/dbraw/zinc/44/88/36/1019448836.db2.gz ZTAKZQLZAUGJOL-AOIWGVFYSA-N 2 1 343.515 3.730 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000289672032 1019448846 /nfs/dbraw/zinc/44/88/46/1019448846.db2.gz ZTAKZQLZAUGJOL-AOIWGVFYSA-N 2 1 343.515 3.730 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000513452404 1019701215 /nfs/dbraw/zinc/70/12/15/1019701215.db2.gz MGWTUXHQCUTAEP-RXVVDRJESA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000513545166 1019814745 /nfs/dbraw/zinc/81/47/45/1019814745.db2.gz ORLGOYPBQPSORI-YLJYHZDGSA-N 2 1 348.494 3.953 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275963388 1019974364 /nfs/dbraw/zinc/97/43/64/1019974364.db2.gz WCHSUANEIHUNDP-OAHLLOKOSA-N 2 1 341.318 3.813 20 0 EHADMP CC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@H]1CCC[NH2+]CC1 ZINC000345191596 1020013704 /nfs/dbraw/zinc/01/37/04/1020013704.db2.gz RMEBLZSNNZSHBP-IBGZPJMESA-N 2 1 348.494 3.965 20 0 EHADMP CC[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345185640 1020038027 /nfs/dbraw/zinc/03/80/27/1020038027.db2.gz DFNLAVANYJCGAL-OAHLLOKOSA-N 2 1 329.257 3.552 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CC2)cc1 ZINC000127924692 1020370207 /nfs/dbraw/zinc/37/02/07/1020370207.db2.gz ZGPJSNUUODZDRU-VXNXHJTFSA-N 2 1 346.518 3.869 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000066990442 1020591270 /nfs/dbraw/zinc/59/12/70/1020591270.db2.gz YIQPLWUZYCEYOF-UHFFFAOYSA-N 2 1 336.483 3.703 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000066990442 1020591277 /nfs/dbraw/zinc/59/12/77/1020591277.db2.gz YIQPLWUZYCEYOF-UHFFFAOYSA-N 2 1 336.483 3.703 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1-c1ccnn1C ZINC000349379558 1020628999 /nfs/dbraw/zinc/62/89/99/1020628999.db2.gz BRNVBSBBUKVSMT-UHFFFAOYSA-N 2 1 328.504 3.559 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1F ZINC000581374572 1020759681 /nfs/dbraw/zinc/75/96/81/1020759681.db2.gz RIHFRAGKHFQHFR-UHFFFAOYSA-N 2 1 349.450 3.514 20 0 EHADMP C[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276164362 1020789174 /nfs/dbraw/zinc/78/91/74/1020789174.db2.gz HJOSCQJUCADLQH-ZNMIVQPWSA-N 2 1 328.460 3.732 20 0 EHADMP [NH3+]CCCOC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000430581224 1020792968 /nfs/dbraw/zinc/79/29/68/1020792968.db2.gz TXPYWSWKFJUBFT-UHFFFAOYSA-N 2 1 337.533 3.521 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168251 1021093904 /nfs/dbraw/zinc/09/39/04/1021093904.db2.gz ASLYFGCZZGAHEL-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCOC1 ZINC000507487444 1021302854 /nfs/dbraw/zinc/30/28/54/1021302854.db2.gz RDYGFTHJQBINBW-WRJHFWDFSA-N 2 1 330.516 3.548 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894323838 1021386585 /nfs/dbraw/zinc/38/65/85/1021386585.db2.gz PLHMACTWTHDKJP-UHFFFAOYSA-N 2 1 348.512 3.586 20 0 EHADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638617487 1021432183 /nfs/dbraw/zinc/43/21/83/1021432183.db2.gz HWAHQRCREXCSRN-UNMCSNQZSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638617487 1021432191 /nfs/dbraw/zinc/43/21/91/1021432191.db2.gz HWAHQRCREXCSRN-UNMCSNQZSA-N 2 1 335.495 3.890 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000684383780 1021497198 /nfs/dbraw/zinc/49/71/98/1021497198.db2.gz JVKKVBYLVATIJC-GBMAXXPESA-N 2 1 330.516 3.690 20 0 EHADMP COc1cccc(-c2csc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000894860789 1021505431 /nfs/dbraw/zinc/50/54/31/1021505431.db2.gz GPEHMTBJDVDHNY-OAHLLOKOSA-N 2 1 345.512 3.640 20 0 EHADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173056 1021509481 /nfs/dbraw/zinc/50/94/81/1021509481.db2.gz UURCFPQFAIHDOU-FPOVZHCZSA-N 2 1 341.543 3.505 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173056 1021509495 /nfs/dbraw/zinc/50/94/95/1021509495.db2.gz UURCFPQFAIHDOU-FPOVZHCZSA-N 2 1 341.543 3.505 20 0 EHADMP COCC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426416111 1021529720 /nfs/dbraw/zinc/52/97/20/1021529720.db2.gz GRPNQCDTNOEZQP-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000156375962 1021691941 /nfs/dbraw/zinc/69/19/41/1021691941.db2.gz XNHRXLHJGAJLRZ-KRWDZBQOSA-N 2 1 337.471 3.735 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135151366 1123587229 /nfs/dbraw/zinc/58/72/29/1123587229.db2.gz CZEYKTOKPNMMBC-LLVKDONJSA-N 2 1 331.685 3.534 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135151366 1123587232 /nfs/dbraw/zinc/58/72/32/1123587232.db2.gz CZEYKTOKPNMMBC-LLVKDONJSA-N 2 1 331.685 3.534 20 0 EHADMP Cc1ccccc1OC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965643 1021820933 /nfs/dbraw/zinc/82/09/33/1021820933.db2.gz IYWVZVJMTPTXRP-OHSMVPPVSA-N 2 1 328.500 3.757 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188104708 1021839658 /nfs/dbraw/zinc/83/96/58/1021839658.db2.gz WFDSNOVVSKAHTB-VXKWHMMOSA-N 2 1 344.543 3.976 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564943 1021952378 /nfs/dbraw/zinc/95/23/78/1021952378.db2.gz BEAZIWDIVBXWJB-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564943 1021952387 /nfs/dbraw/zinc/95/23/87/1021952387.db2.gz BEAZIWDIVBXWJB-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccncc1 ZINC000647189600 1022087287 /nfs/dbraw/zinc/08/72/87/1022087287.db2.gz FXSLQFHMYDTOFP-GHTZIAJQSA-N 2 1 335.495 3.972 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccncc1 ZINC000647189600 1022087298 /nfs/dbraw/zinc/08/72/98/1022087298.db2.gz FXSLQFHMYDTOFP-GHTZIAJQSA-N 2 1 335.495 3.972 20 0 EHADMP C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574313687 1033036683 /nfs/dbraw/zinc/03/66/83/1033036683.db2.gz UEOIYKKQYFGWFE-PKOBYXMFSA-N 2 1 346.515 3.609 20 0 EHADMP Clc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409434 1022220063 /nfs/dbraw/zinc/22/00/63/1022220063.db2.gz OCCQUVFKTXYYRP-HNAYVOBHSA-N 2 1 334.891 3.668 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000156435971 1022243707 /nfs/dbraw/zinc/24/37/07/1022243707.db2.gz HHECAWHUFROVLY-JFIYKMOQSA-N 2 1 335.923 3.547 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCO2)cc1 ZINC001167968551 1022259347 /nfs/dbraw/zinc/25/93/47/1022259347.db2.gz RHNSVJXZPJIMNK-SPVGOVNVSA-N 2 1 340.511 3.902 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000517468373 1022365503 /nfs/dbraw/zinc/36/55/03/1022365503.db2.gz LNSMAKXVRLCSEP-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000517468373 1022365519 /nfs/dbraw/zinc/36/55/19/1022365519.db2.gz LNSMAKXVRLCSEP-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167971251 1022391207 /nfs/dbraw/zinc/39/12/07/1022391207.db2.gz VFZDECRUZOURDH-WVVQBRDUSA-N 2 1 340.511 3.548 20 0 EHADMP c1cc(-c2n[nH]cc2CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000438123781 1022403676 /nfs/dbraw/zinc/40/36/76/1022403676.db2.gz TXWGBFRAEIKGPF-KDOFPFPSSA-N 2 1 342.512 3.587 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000471852282 1022583075 /nfs/dbraw/zinc/58/30/75/1022583075.db2.gz LPKHAYBZRYXOPD-UYAOXDASSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000471852282 1022583086 /nfs/dbraw/zinc/58/30/86/1022583086.db2.gz LPKHAYBZRYXOPD-UYAOXDASSA-N 2 1 343.902 3.907 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@H]1CC[NH3+] ZINC000723894113 1022587755 /nfs/dbraw/zinc/58/77/55/1022587755.db2.gz BQTZRYYYQJEVKB-RKDXNWHRSA-N 2 1 337.714 3.581 20 0 EHADMP Cc1ncccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167977872 1022742551 /nfs/dbraw/zinc/74/25/51/1022742551.db2.gz HILWWYCVDBNZGZ-SMLSOGCJSA-N 2 1 325.500 3.836 20 0 EHADMP COc1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)ccn1 ZINC001167978549 1022750267 /nfs/dbraw/zinc/75/02/67/1022750267.db2.gz OSKTZIJSCSJUAO-SMLSOGCJSA-N 2 1 341.499 3.536 20 0 EHADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)CCC)cc1)C1CC[NH2+]CC1 ZINC000430847201 1022772723 /nfs/dbraw/zinc/77/27/23/1022772723.db2.gz KWMLYBLERYIBCF-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1ncsc1CC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471871710 1022777430 /nfs/dbraw/zinc/77/74/30/1022777430.db2.gz MPFBPCNLVPBUEC-RBUKOAKNSA-N 2 1 343.540 3.666 20 0 EHADMP CC1=C[C@H](C)C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430862098 1022788707 /nfs/dbraw/zinc/78/87/07/1022788707.db2.gz CXKHKTBXYHMBIN-KRWDZBQOSA-N 2 1 327.516 3.615 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000518117986 1023010357 /nfs/dbraw/zinc/01/03/57/1023010357.db2.gz BPTLUGYWGJWVHY-HNNXBMFYSA-N 2 1 332.451 3.915 20 0 EHADMP CC[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000509549972 1023029158 /nfs/dbraw/zinc/02/91/58/1023029158.db2.gz RPJYVIQNOBMLIE-GOSISDBHSA-N 2 1 329.532 3.839 20 0 EHADMP CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000438829458 1023047592 /nfs/dbraw/zinc/04/75/92/1023047592.db2.gz CQSUWACCWVXKNR-VFUGHAIPSA-N 2 1 330.516 3.977 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468127 1023225506 /nfs/dbraw/zinc/22/55/06/1023225506.db2.gz CGHGCMWCESAWOE-PKOBYXMFSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468127 1023225520 /nfs/dbraw/zinc/22/55/20/1023225520.db2.gz CGHGCMWCESAWOE-PKOBYXMFSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468127 1023225531 /nfs/dbraw/zinc/22/55/31/1023225531.db2.gz CGHGCMWCESAWOE-PKOBYXMFSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468127 1023225543 /nfs/dbraw/zinc/22/55/43/1023225543.db2.gz CGHGCMWCESAWOE-PKOBYXMFSA-N 2 1 344.499 3.560 20 0 EHADMP CCC[N@@H+](Cc1ccccc1Oc1cccnc1)C1CC[NH2+]CC1 ZINC000431080109 1023234422 /nfs/dbraw/zinc/23/44/22/1023234422.db2.gz KYBWKHXCHPZIHH-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000506478129 1023250573 /nfs/dbraw/zinc/25/05/73/1023250573.db2.gz FFCQGDDQBVJYCU-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478129 1023250582 /nfs/dbraw/zinc/25/05/82/1023250582.db2.gz FFCQGDDQBVJYCU-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478129 1023250596 /nfs/dbraw/zinc/25/05/96/1023250596.db2.gz FFCQGDDQBVJYCU-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000506478129 1023250603 /nfs/dbraw/zinc/25/06/03/1023250603.db2.gz FFCQGDDQBVJYCU-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000506478129 1023250610 /nfs/dbraw/zinc/25/06/10/1023250610.db2.gz FFCQGDDQBVJYCU-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP COC1CCC(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483881 1023478195 /nfs/dbraw/zinc/47/81/95/1023478195.db2.gz NPEAXNCUYCZWHW-OMZYAQQMSA-N 2 1 330.516 3.692 20 0 EHADMP CCCC1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000215644819 1023921054 /nfs/dbraw/zinc/92/10/54/1023921054.db2.gz CGZJHEFCXMLZPS-UHFFFAOYSA-N 2 1 330.516 3.967 20 0 EHADMP COc1ccc(-c2nc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC000657189388 1023953183 /nfs/dbraw/zinc/95/31/83/1023953183.db2.gz OHSABQIDRNKXME-HNNXBMFYSA-N 2 1 345.512 3.640 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168019221 1023987711 /nfs/dbraw/zinc/98/77/11/1023987711.db2.gz HNEUKGGQQFWRCS-NBMJBFSESA-N 2 1 344.524 3.813 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019221 1023987731 /nfs/dbraw/zinc/98/77/31/1023987731.db2.gz HNEUKGGQQFWRCS-NBMJBFSESA-N 2 1 344.524 3.813 20 0 EHADMP CO[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000514115725 1024148059 /nfs/dbraw/zinc/14/80/59/1024148059.db2.gz VBEWNWHHZINCNW-FFZOFVMBSA-N 2 1 348.918 3.976 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000346032790 1024201360 /nfs/dbraw/zinc/20/13/60/1024201360.db2.gz CFVRLHZPFQJZNG-UHFFFAOYSA-N 2 1 333.426 3.815 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414850672 1024306926 /nfs/dbraw/zinc/30/69/26/1024306926.db2.gz ZRHKZKCSECMFRA-CQSZACIVSA-N 2 1 345.874 3.537 20 0 EHADMP C[C@H]1CC([NH2+]Cc2ccnc(F)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024456 1024330392 /nfs/dbraw/zinc/33/03/92/1024330392.db2.gz GVPVKZKAHAKYOP-HOTGVXAUSA-N 2 1 327.447 3.752 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000190696465 1024335274 /nfs/dbraw/zinc/33/52/74/1024335274.db2.gz HRRXVCDTAUZOSB-UHFFFAOYSA-N 2 1 325.294 3.720 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000281440420 1024379026 /nfs/dbraw/zinc/37/90/26/1024379026.db2.gz SCZAWKSBGDASPB-DYESRHJHSA-N 2 1 340.515 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000281440420 1024379042 /nfs/dbraw/zinc/37/90/42/1024379042.db2.gz SCZAWKSBGDASPB-DYESRHJHSA-N 2 1 340.515 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000281440420 1024379053 /nfs/dbraw/zinc/37/90/53/1024379053.db2.gz SCZAWKSBGDASPB-DYESRHJHSA-N 2 1 340.515 3.773 20 0 EHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853115 1024405122 /nfs/dbraw/zinc/40/51/22/1024405122.db2.gz RVJGNNAHMWPGNG-GUYCJALGSA-N 2 1 337.895 3.554 20 0 EHADMP CCC1(CC)[C@H]([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1OC ZINC000346161177 1024474615 /nfs/dbraw/zinc/47/46/15/1024474615.db2.gz DTCWGTZPMPHZEW-MOPGFXCFSA-N 2 1 342.487 3.601 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000346179996 1024494728 /nfs/dbraw/zinc/49/47/28/1024494728.db2.gz JEQMJECHXXKHCD-BEFAXECRSA-N 2 1 349.434 3.671 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000430122658 1024669663 /nfs/dbraw/zinc/66/96/63/1024669663.db2.gz KMXHJXDXKMXXEN-QFIPXVFZSA-N 2 1 346.478 3.553 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000430122658 1024669668 /nfs/dbraw/zinc/66/96/68/1024669668.db2.gz KMXHJXDXKMXXEN-QFIPXVFZSA-N 2 1 346.478 3.553 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000430122658 1024669670 /nfs/dbraw/zinc/66/96/70/1024669670.db2.gz KMXHJXDXKMXXEN-QFIPXVFZSA-N 2 1 346.478 3.553 20 0 EHADMP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469267655 1024673160 /nfs/dbraw/zinc/67/31/60/1024673160.db2.gz NTSRIAFXYALVHT-JLJPHGGASA-N 2 1 344.421 3.713 20 0 EHADMP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469267655 1024673167 /nfs/dbraw/zinc/67/31/67/1024673167.db2.gz NTSRIAFXYALVHT-JLJPHGGASA-N 2 1 344.421 3.713 20 0 EHADMP C[C@H]1CC(NC2C[NH+](C(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032123 1024702022 /nfs/dbraw/zinc/70/20/22/1024702022.db2.gz FHLBBGIRIZUIDX-IRXDYDNUSA-N 2 1 329.532 3.500 20 0 EHADMP Fc1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cccc1OC1CC1 ZINC000665244444 1024804793 /nfs/dbraw/zinc/80/47/93/1024804793.db2.gz NGIYEXNCQWKXCG-FGTMMUONSA-N 2 1 332.463 3.767 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435378853 1024859622 /nfs/dbraw/zinc/85/96/22/1024859622.db2.gz KFAOFOFPWXQOBQ-CZUORRHYSA-N 2 1 346.906 3.702 20 0 EHADMP Cc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435434795 1024904998 /nfs/dbraw/zinc/90/49/98/1024904998.db2.gz UUZHTFIPBNQCCO-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435434795 1024905012 /nfs/dbraw/zinc/90/50/12/1024905012.db2.gz UUZHTFIPBNQCCO-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000657309912 1024929802 /nfs/dbraw/zinc/92/98/02/1024929802.db2.gz HHGLFWXXIQCKNF-UHFFFAOYSA-N 2 1 340.515 3.815 20 0 EHADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000428030295 1024949418 /nfs/dbraw/zinc/94/94/18/1024949418.db2.gz CVCIADRMVIUNKB-WIYYLYMNSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000428030295 1024949425 /nfs/dbraw/zinc/94/94/25/1024949425.db2.gz CVCIADRMVIUNKB-WIYYLYMNSA-N 2 1 340.442 3.589 20 0 EHADMP CC(C)(C)n1cc(C[NH2+]CC2([NH3+])CCC2)c(-c2ccccc2Cl)n1 ZINC000414870229 1024979053 /nfs/dbraw/zinc/97/90/53/1024979053.db2.gz BRPQPGBNAWAFNH-UHFFFAOYSA-N 2 1 346.906 3.930 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093669 1025014033 /nfs/dbraw/zinc/01/40/33/1025014033.db2.gz QJQPUBXTXOYLRS-XJKSGUPXSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093669 1025014040 /nfs/dbraw/zinc/01/40/40/1025014040.db2.gz QJQPUBXTXOYLRS-XJKSGUPXSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093669 1025014044 /nfs/dbraw/zinc/01/40/44/1025014044.db2.gz QJQPUBXTXOYLRS-XJKSGUPXSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093669 1025014054 /nfs/dbraw/zinc/01/40/54/1025014054.db2.gz QJQPUBXTXOYLRS-XJKSGUPXSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093669 1025014061 /nfs/dbraw/zinc/01/40/61/1025014061.db2.gz QJQPUBXTXOYLRS-XJKSGUPXSA-N 2 1 333.526 3.788 20 0 EHADMP CC[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435613031 1025033503 /nfs/dbraw/zinc/03/35/03/1025033503.db2.gz INVOULOGEJCJAS-OAHLLOKOSA-N 2 1 330.394 3.592 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCC(F)(F)F)cc1F ZINC000665260010 1025055721 /nfs/dbraw/zinc/05/57/21/1025055721.db2.gz WMNFSJZXQDANFB-ZLDLUXBVSA-N 2 1 348.384 3.600 20 0 EHADMP c1csc(C[N@H+](CCCc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435687675 1025071177 /nfs/dbraw/zinc/07/11/77/1025071177.db2.gz HXUUJZCAMQNIJI-SFHVURJKSA-N 2 1 341.524 3.720 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443979717 1025132968 /nfs/dbraw/zinc/13/29/68/1025132968.db2.gz BIBGBTYURVZJMG-GFCCVEGCSA-N 2 1 335.439 3.906 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1(c2ccccc2)CCCC1 ZINC000428241834 1025161956 /nfs/dbraw/zinc/16/19/56/1025161956.db2.gz LBDUIOXTEVSKQF-PZJWPPBQSA-N 2 1 344.543 3.713 20 0 EHADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCc2cccnc21 ZINC000582070413 1025163366 /nfs/dbraw/zinc/16/33/66/1025163366.db2.gz JAXXTPAMZYCOPO-LJQANCHMSA-N 2 1 326.488 3.783 20 0 EHADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCc2cccnc21 ZINC000582070413 1025163371 /nfs/dbraw/zinc/16/33/71/1025163371.db2.gz JAXXTPAMZYCOPO-LJQANCHMSA-N 2 1 326.488 3.783 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382905 1025210090 /nfs/dbraw/zinc/21/00/90/1025210090.db2.gz FYBUXNCZJZKDCO-LEWJYISDSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382905 1025210098 /nfs/dbraw/zinc/21/00/98/1025210098.db2.gz FYBUXNCZJZKDCO-LEWJYISDSA-N 2 1 344.543 3.818 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657336104 1025264620 /nfs/dbraw/zinc/26/46/20/1025264620.db2.gz PNDPFWXDCQXRJT-UHFFFAOYSA-N 2 1 340.309 3.507 20 0 EHADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000515483270 1025283217 /nfs/dbraw/zinc/28/32/17/1025283217.db2.gz APYLPQOFRPEPRP-HNNXBMFYSA-N 2 1 329.257 3.553 20 0 EHADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000515588945 1025379696 /nfs/dbraw/zinc/37/96/96/1025379696.db2.gz MVNCQWQTVZJHDT-LUKYLMHMSA-N 2 1 330.607 3.808 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657356740 1025441188 /nfs/dbraw/zinc/44/11/88/1025441188.db2.gz QNRUXSWCUNTWJF-IBGZPJMESA-N 2 1 344.524 3.742 20 0 EHADMP CC(C)(C)C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292101 1025450977 /nfs/dbraw/zinc/45/09/77/1025450977.db2.gz SIZZDGBDEUMLQA-OAHLLOKOSA-N 2 1 348.878 3.561 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442779241 1025473062 /nfs/dbraw/zinc/47/30/62/1025473062.db2.gz LORYWUVHCXCCRQ-IKGGRYGDSA-N 2 1 337.467 3.669 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767399 1025478806 /nfs/dbraw/zinc/47/88/06/1025478806.db2.gz MQFLOVDBKGDWNB-CVEARBPZSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767399 1025478815 /nfs/dbraw/zinc/47/88/15/1025478815.db2.gz MQFLOVDBKGDWNB-CVEARBPZSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436267139 1025507851 /nfs/dbraw/zinc/50/78/51/1025507851.db2.gz CBCIPQFVTBPZBC-HNNXBMFYSA-N 2 1 332.517 3.740 20 0 EHADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530214896 1025508031 /nfs/dbraw/zinc/50/80/31/1025508031.db2.gz DJGSCGLNUPBJRX-ZJUUUORDSA-N 2 1 333.220 3.520 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442861141 1025531364 /nfs/dbraw/zinc/53/13/64/1025531364.db2.gz MJPSYWOHEDOFGH-RBUKOAKNSA-N 2 1 345.490 3.747 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347194489 1025660102 /nfs/dbraw/zinc/66/01/02/1025660102.db2.gz GYSXYNHPZHRNDA-AEFFLSMTSA-N 2 1 342.458 3.964 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000530355043 1025697764 /nfs/dbraw/zinc/69/77/64/1025697764.db2.gz ZCCZUIBGTYLCCN-AWEZNQCLSA-N 2 1 340.290 3.528 20 0 EHADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(C)c1 ZINC000657385685 1025763128 /nfs/dbraw/zinc/76/31/28/1025763128.db2.gz XYAAGPVJBYYXSH-UHFFFAOYSA-N 2 1 348.531 3.763 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000684836361 1026010204 /nfs/dbraw/zinc/01/02/04/1026010204.db2.gz VMOCNABZIUYLNL-WHSGIHJSSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCO1 ZINC000648421859 1026050007 /nfs/dbraw/zinc/05/00/07/1026050007.db2.gz AYBMEGHAXASUIG-DZFGPLHGSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1nc(-c2ccccc2)cs1 ZINC000152469077 1026171728 /nfs/dbraw/zinc/17/17/28/1026171728.db2.gz QOHZWJBZUQPEIH-CABCVRRESA-N 2 1 327.497 3.945 20 0 EHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(CO)c1 ZINC000122069235 1026173106 /nfs/dbraw/zinc/17/31/06/1026173106.db2.gz MRFSYUUPNBIFFK-ZWKOTPCHSA-N 2 1 326.484 3.740 20 0 EHADMP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000563351940 1026203601 /nfs/dbraw/zinc/20/36/01/1026203601.db2.gz CQIMHZNOZQLMBW-PMACEKPBSA-N 2 1 327.472 3.641 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000582456161 1026316489 /nfs/dbraw/zinc/31/64/89/1026316489.db2.gz DXSZNNCJXIBSJZ-JBACZVJFSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000475189976 1026318360 /nfs/dbraw/zinc/31/83/60/1026318360.db2.gz DDFHBLPCVGKGMU-IKGGRYGDSA-N 2 1 338.923 3.923 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000475189976 1026318373 /nfs/dbraw/zinc/31/83/73/1026318373.db2.gz DDFHBLPCVGKGMU-IKGGRYGDSA-N 2 1 338.923 3.923 20 0 EHADMP CO[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059497 1026374603 /nfs/dbraw/zinc/37/46/03/1026374603.db2.gz GABUPBXRZZUARZ-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059497 1026374608 /nfs/dbraw/zinc/37/46/08/1026374608.db2.gz GABUPBXRZZUARZ-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059497 1026374620 /nfs/dbraw/zinc/37/46/20/1026374620.db2.gz GABUPBXRZZUARZ-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059497 1026374630 /nfs/dbraw/zinc/37/46/30/1026374630.db2.gz GABUPBXRZZUARZ-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP COCC[N@@H+](CCCn1ccnc1C)Cc1ccc(F)c(Cl)c1 ZINC000451975330 1026429893 /nfs/dbraw/zinc/42/98/93/1026429893.db2.gz KPWVFSVVQKIHOR-UHFFFAOYSA-N 2 1 339.842 3.523 20 0 EHADMP COCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(F)c(Cl)c1 ZINC000451975330 1026429899 /nfs/dbraw/zinc/42/98/99/1026429899.db2.gz KPWVFSVVQKIHOR-UHFFFAOYSA-N 2 1 339.842 3.523 20 0 EHADMP COCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(F)c(Cl)c1 ZINC000451975330 1026429905 /nfs/dbraw/zinc/42/99/05/1026429905.db2.gz KPWVFSVVQKIHOR-UHFFFAOYSA-N 2 1 339.842 3.523 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4c(c3)ncn4C)C2)CC1 ZINC000342617774 1026470819 /nfs/dbraw/zinc/47/08/19/1026470819.db2.gz PSOOADZJWOIFKD-LJQANCHMSA-N 2 1 340.515 3.517 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)ncn4C)C2)CC1 ZINC000342617774 1026470823 /nfs/dbraw/zinc/47/08/23/1026470823.db2.gz PSOOADZJWOIFKD-LJQANCHMSA-N 2 1 340.515 3.517 20 0 EHADMP C[C@@H](CC1CCOCC1)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334903 1026488445 /nfs/dbraw/zinc/48/84/45/1026488445.db2.gz FOGFOLGUGRVKJG-YUXAGFNASA-N 2 1 342.527 3.503 20 0 EHADMP C[C@@H](CC1CCOCC1)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334903 1026488450 /nfs/dbraw/zinc/48/84/50/1026488450.db2.gz FOGFOLGUGRVKJG-YUXAGFNASA-N 2 1 342.527 3.503 20 0 EHADMP C[C@@H](CC1CCOCC1)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334903 1026488452 /nfs/dbraw/zinc/48/84/52/1026488452.db2.gz FOGFOLGUGRVKJG-YUXAGFNASA-N 2 1 342.527 3.503 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000159192926 1026529962 /nfs/dbraw/zinc/52/99/62/1026529962.db2.gz UDPGDFBSOJNLNT-FQEVSTJZSA-N 2 1 346.515 3.608 20 0 EHADMP Brc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000301167113 1026710095 /nfs/dbraw/zinc/71/00/95/1026710095.db2.gz VHMGAYQRLRVXJA-AWEZNQCLSA-N 2 1 346.272 3.672 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657491987 1026744021 /nfs/dbraw/zinc/74/40/21/1026744021.db2.gz NYHSQGRDSHNFTE-INIZCTEOSA-N 2 1 343.446 3.835 20 0 EHADMP C[NH+](C)C1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301326179 1026763015 /nfs/dbraw/zinc/76/30/15/1026763015.db2.gz YWUUAAGYQATEFF-UHFFFAOYSA-N 2 1 334.261 3.528 20 0 EHADMP Cc1[nH+]cc(CNc2ccc(SCC[NH+]3CCCC3)cc2)n1C ZINC000657499747 1026778573 /nfs/dbraw/zinc/77/85/73/1026778573.db2.gz CNULEEHMFKSVOK-UHFFFAOYSA-N 2 1 330.501 3.529 20 0 EHADMP c1[nH+]c2n(c1CNc1ccc(SCC[NH+]3CCCC3)cc1)CCC2 ZINC000657501089 1026782704 /nfs/dbraw/zinc/78/27/04/1026782704.db2.gz OTCBWLWRYSVVBP-UHFFFAOYSA-N 2 1 342.512 3.629 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000342716842 1026822832 /nfs/dbraw/zinc/82/28/32/1026822832.db2.gz XZWKJGJKSQLOMA-BEVDRBHNSA-N 2 1 327.472 3.762 20 0 EHADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)([NH+](C)C)C1 ZINC000582706046 1027008193 /nfs/dbraw/zinc/00/81/93/1027008193.db2.gz WRNYUOHIEQCKED-MLYOOKFZSA-N 2 1 332.536 3.546 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000125532399 1027088866 /nfs/dbraw/zinc/08/88/66/1027088866.db2.gz VHLNLXSVEQTPTP-HXUWFJFHSA-N 2 1 326.488 3.875 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000125532399 1027088876 /nfs/dbraw/zinc/08/88/76/1027088876.db2.gz VHLNLXSVEQTPTP-HXUWFJFHSA-N 2 1 326.488 3.875 20 0 EHADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OCC ZINC000125776564 1027120257 /nfs/dbraw/zinc/12/02/57/1027120257.db2.gz RKTHSQCKILWUEF-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OCC ZINC000125776564 1027120268 /nfs/dbraw/zinc/12/02/68/1027120268.db2.gz RKTHSQCKILWUEF-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OCC ZINC000125776564 1027120278 /nfs/dbraw/zinc/12/02/78/1027120278.db2.gz RKTHSQCKILWUEF-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CC[NH+]1CCN(C[C@H](C)CNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302704654 1027247692 /nfs/dbraw/zinc/24/76/92/1027247692.db2.gz YCCJUQBVPXWXDD-MRXNPFEDSA-N 2 1 340.515 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000273174071 1027295437 /nfs/dbraw/zinc/29/54/37/1027295437.db2.gz CRKZBOIGYZZOMJ-PXCRPINLSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000273174071 1027295442 /nfs/dbraw/zinc/29/54/42/1027295442.db2.gz CRKZBOIGYZZOMJ-PXCRPINLSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453074581 1027326222 /nfs/dbraw/zinc/32/62/22/1027326222.db2.gz DRRYZHOFMZJRRV-INIZCTEOSA-N 2 1 338.499 3.755 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2sccc21 ZINC000453107585 1027375140 /nfs/dbraw/zinc/37/51/40/1027375140.db2.gz LKUPADCFPIBBHO-QAPCUYQASA-N 2 1 335.561 3.550 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453138513 1027443398 /nfs/dbraw/zinc/44/33/98/1027443398.db2.gz AGVZICVCVOXKHA-NJYVYQBISA-N 2 1 344.543 3.818 20 0 EHADMP Cc1ncsc1C[N@H+](CCCc1ccsc1)C[C@@H]1CC[NH2+]C1 ZINC000420310125 1027457301 /nfs/dbraw/zinc/45/73/01/1027457301.db2.gz MCOISVIILQGUPU-MRXNPFEDSA-N 2 1 335.542 3.557 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCc1ccsc1)C[C@@H]1CC[NH2+]C1 ZINC000420310125 1027457314 /nfs/dbraw/zinc/45/73/14/1027457314.db2.gz MCOISVIILQGUPU-MRXNPFEDSA-N 2 1 335.542 3.557 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420327380 1027478214 /nfs/dbraw/zinc/47/82/14/1027478214.db2.gz YOVFVPCSIYIDEJ-SFHVURJKSA-N 2 1 340.515 3.721 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000420363903 1027490300 /nfs/dbraw/zinc/49/03/00/1027490300.db2.gz OJWXOJRFHSXOQQ-KRWDZBQOSA-N 2 1 344.890 3.583 20 0 EHADMP Clc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000647902089 1027529101 /nfs/dbraw/zinc/52/91/01/1027529101.db2.gz ZQDWWNZCJOVEPN-QAPCUYQASA-N 2 1 345.874 3.959 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000647902089 1027529112 /nfs/dbraw/zinc/52/91/12/1027529112.db2.gz ZQDWWNZCJOVEPN-QAPCUYQASA-N 2 1 345.874 3.959 20 0 EHADMP Fc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC(F)(F)F ZINC001204735483 1027561073 /nfs/dbraw/zinc/56/10/73/1027561073.db2.gz VIHZZWBYEPQTPZ-UHFFFAOYSA-N 2 1 346.368 3.690 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000501816244 1027572605 /nfs/dbraw/zinc/57/26/05/1027572605.db2.gz YIWBKJARYQGAQQ-YRNVUSSQSA-N 2 1 330.516 3.770 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130210834 1027648225 /nfs/dbraw/zinc/64/82/25/1027648225.db2.gz VTEMGYZPUFOPPO-CQSZACIVSA-N 2 1 329.513 3.934 20 0 EHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342856295 1027679270 /nfs/dbraw/zinc/67/92/70/1027679270.db2.gz DRQGAMMVLNBZJS-NQIIRXRSSA-N 2 1 340.515 3.739 20 0 EHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342856295 1027679276 /nfs/dbraw/zinc/67/92/76/1027679276.db2.gz DRQGAMMVLNBZJS-NQIIRXRSSA-N 2 1 340.515 3.739 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000342859883 1027691641 /nfs/dbraw/zinc/69/16/41/1027691641.db2.gz KTRCAJWZXNZRLV-UHFFFAOYSA-N 2 1 327.350 3.612 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000342859883 1027691645 /nfs/dbraw/zinc/69/16/45/1027691645.db2.gz KTRCAJWZXNZRLV-UHFFFAOYSA-N 2 1 327.350 3.612 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261795137 1027696423 /nfs/dbraw/zinc/69/64/23/1027696423.db2.gz ZHRYEBWHQRBBQP-QHAWAJNXSA-N 2 1 329.532 3.539 20 0 EHADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OCc1ccccc1 ZINC000065981570 1027755921 /nfs/dbraw/zinc/75/59/21/1027755921.db2.gz NFALIAQMHDXKRV-QGZVFWFLSA-N 2 1 342.483 3.704 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414673502 1027816268 /nfs/dbraw/zinc/81/62/68/1027816268.db2.gz OQEFNIWHJMOLPU-OAQYLSRUSA-N 2 1 338.495 3.740 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414673502 1027816290 /nfs/dbraw/zinc/81/62/90/1027816290.db2.gz OQEFNIWHJMOLPU-OAQYLSRUSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422710011 1027869171 /nfs/dbraw/zinc/86/91/71/1027869171.db2.gz LKIWPFLLLMQFPC-RXVVDRJESA-N 2 1 329.532 3.540 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000414687007 1027870301 /nfs/dbraw/zinc/87/03/01/1027870301.db2.gz GXRWAFLJHPPCNU-JKIFEVAISA-N 2 1 337.305 3.974 20 0 EHADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000339065384 1027892504 /nfs/dbraw/zinc/89/25/04/1027892504.db2.gz ATRMDPRUWSOCHW-ROUUACIJSA-N 2 1 329.488 3.510 20 0 EHADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000339065384 1027892521 /nfs/dbraw/zinc/89/25/21/1027892521.db2.gz ATRMDPRUWSOCHW-ROUUACIJSA-N 2 1 329.488 3.510 20 0 EHADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000339065384 1027892539 /nfs/dbraw/zinc/89/25/39/1027892539.db2.gz ATRMDPRUWSOCHW-ROUUACIJSA-N 2 1 329.488 3.510 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339067065 1027893984 /nfs/dbraw/zinc/89/39/84/1027893984.db2.gz IKZSNRWXRGFQPK-COPCDDAFSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339067065 1027893997 /nfs/dbraw/zinc/89/39/97/1027893997.db2.gz IKZSNRWXRGFQPK-COPCDDAFSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339067065 1027894016 /nfs/dbraw/zinc/89/40/16/1027894016.db2.gz IKZSNRWXRGFQPK-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339067065 1027894044 /nfs/dbraw/zinc/89/40/44/1027894044.db2.gz IKZSNRWXRGFQPK-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339067065 1027894062 /nfs/dbraw/zinc/89/40/62/1027894062.db2.gz IKZSNRWXRGFQPK-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339067065 1027894077 /nfs/dbraw/zinc/89/40/77/1027894077.db2.gz IKZSNRWXRGFQPK-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339067065 1027894088 /nfs/dbraw/zinc/89/40/88/1027894088.db2.gz IKZSNRWXRGFQPK-COPCDDAFSA-N 2 1 341.543 3.635 20 0 EHADMP CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913858 1027896882 /nfs/dbraw/zinc/89/68/82/1027896882.db2.gz BLCRGBTWQFDADJ-UXHICEINSA-N 2 1 348.556 3.673 20 0 EHADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422743403 1027910759 /nfs/dbraw/zinc/91/07/59/1027910759.db2.gz INJRMBWXIYJGDO-XYEHWOGUSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422743403 1027910776 /nfs/dbraw/zinc/91/07/76/1027910776.db2.gz INJRMBWXIYJGDO-XYEHWOGUSA-N 3 1 341.543 3.722 20 0 EHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc21 ZINC000422782176 1027937289 /nfs/dbraw/zinc/93/72/89/1027937289.db2.gz FXMLQIJCBVYNCJ-FCHUYYIVSA-N 3 1 335.495 3.907 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414693670 1027950101 /nfs/dbraw/zinc/95/01/01/1027950101.db2.gz MVIIJBLSQZCMDW-SJORKVTESA-N 2 1 327.472 3.594 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C2(CCC2)C1 ZINC000421009429 1027960448 /nfs/dbraw/zinc/96/04/48/1027960448.db2.gz QCUAELGVWMGYKM-HXUWFJFHSA-N 2 1 328.500 3.552 20 0 EHADMP C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000422826640 1027971961 /nfs/dbraw/zinc/97/19/61/1027971961.db2.gz RELVGDNDRHESPT-PCCBWWKXSA-N 3 1 333.564 3.684 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnccc1N ZINC000422852758 1027991149 /nfs/dbraw/zinc/99/11/49/1027991149.db2.gz BGAZLVDGNKPRDQ-SJORKVTESA-N 2 1 338.499 3.577 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422867665 1028003272 /nfs/dbraw/zinc/00/32/72/1028003272.db2.gz STHXRTOMMJXMRE-PWRODBHTSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422867665 1028003292 /nfs/dbraw/zinc/00/32/92/1028003292.db2.gz STHXRTOMMJXMRE-PWRODBHTSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422867665 1028003309 /nfs/dbraw/zinc/00/33/09/1028003309.db2.gz STHXRTOMMJXMRE-PWRODBHTSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422876074 1028007662 /nfs/dbraw/zinc/00/76/62/1028007662.db2.gz FYOLFNCULIFIMT-LQWHRVPQSA-N 3 1 329.532 3.539 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967714 1028079990 /nfs/dbraw/zinc/07/99/90/1028079990.db2.gz CGXCZTRMNNMVHU-FCGDIQPGSA-N 2 1 333.520 3.563 20 0 EHADMP CC1CCC(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000544393296 1028096142 /nfs/dbraw/zinc/09/61/42/1028096142.db2.gz GDDKPNOIEKOZTN-UHFFFAOYSA-N 2 1 349.607 3.941 20 0 EHADMP CC1CCC(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000544393296 1028096157 /nfs/dbraw/zinc/09/61/57/1028096157.db2.gz GDDKPNOIEKOZTN-UHFFFAOYSA-N 3 1 349.607 3.941 20 0 EHADMP CC1CCC(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000544393296 1028096184 /nfs/dbraw/zinc/09/61/84/1028096184.db2.gz GDDKPNOIEKOZTN-UHFFFAOYSA-N 3 1 349.607 3.941 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423008943 1028120632 /nfs/dbraw/zinc/12/06/32/1028120632.db2.gz UWTTYBNSUAIOTO-DYESRHJHSA-N 3 1 341.499 3.519 20 0 EHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423008943 1028120641 /nfs/dbraw/zinc/12/06/41/1028120641.db2.gz UWTTYBNSUAIOTO-DYESRHJHSA-N 2 1 341.499 3.519 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423088420 1028175334 /nfs/dbraw/zinc/17/53/34/1028175334.db2.gz RZKVFLHVTWQENQ-VIFPVBQESA-N 2 1 325.790 3.631 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000423097814 1028180083 /nfs/dbraw/zinc/18/00/83/1028180083.db2.gz BNOLXCFHFPRAND-FGTMMUONSA-N 2 1 326.440 3.889 20 0 EHADMP COCc1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423100941 1028183109 /nfs/dbraw/zinc/18/31/09/1028183109.db2.gz NCJRSOGWBMOBGF-HOTGVXAUSA-N 2 1 345.512 3.564 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000503925677 1028216533 /nfs/dbraw/zinc/21/65/33/1028216533.db2.gz DHZCNHHKRHKRCY-RDJZCZTQSA-N 2 1 332.479 3.539 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503926228 1028218252 /nfs/dbraw/zinc/21/82/52/1028218252.db2.gz MXEQOBFETRJLKF-BZZMCLGOSA-N 2 1 338.442 3.647 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143055 1028229188 /nfs/dbraw/zinc/22/91/88/1028229188.db2.gz WFYJESNLFMYGAF-NJYVYQBISA-N 2 1 329.532 3.538 20 0 EHADMP CC(C)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)c(F)c1 ZINC000423184716 1028231369 /nfs/dbraw/zinc/23/13/69/1028231369.db2.gz IOHFFONPWJCQRA-IBGZPJMESA-N 2 1 333.426 3.826 20 0 EHADMP Cc1cc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)ccc1F ZINC000423194965 1028263009 /nfs/dbraw/zinc/26/30/09/1028263009.db2.gz ZSZDHQKKTXXWKX-FQEVSTJZSA-N 2 1 327.447 3.750 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000414724579 1028291850 /nfs/dbraw/zinc/29/18/50/1028291850.db2.gz JZHZEYSCQSSMIR-WDSOQIARSA-N 2 1 341.524 3.667 20 0 EHADMP COc1ccc2c(c1)[C@H](NC[C@H]([NH3+])c1ccccc1)CCCS2 ZINC000423243748 1028307635 /nfs/dbraw/zinc/30/76/35/1028307635.db2.gz MZOOIZUUMZZQMB-ZWKOTPCHSA-N 2 1 328.481 3.912 20 0 EHADMP C[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730535 1028334262 /nfs/dbraw/zinc/33/42/62/1028334262.db2.gz DSWPKNOHRMZEGL-CJNGLKHVSA-N 2 1 325.294 3.627 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423272303 1028335185 /nfs/dbraw/zinc/33/51/85/1028335185.db2.gz JUOJAMLBBJYJKP-YCRPNKLZSA-N 2 1 337.442 3.908 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000423276570 1028338932 /nfs/dbraw/zinc/33/89/32/1028338932.db2.gz NDBXPAZLCGZEQI-ZBFHGGJFSA-N 2 1 331.460 3.654 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)s2)cc1 ZINC000423313154 1028347750 /nfs/dbraw/zinc/34/77/50/1028347750.db2.gz FFBXSBOPHNEAPR-MEDUHNTESA-N 2 1 331.485 3.515 20 0 EHADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000423302814 1028357224 /nfs/dbraw/zinc/35/72/24/1028357224.db2.gz VZLGNWXFEVVWIA-APWZRJJASA-N 2 1 343.515 3.778 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000161961585 1028381731 /nfs/dbraw/zinc/38/17/31/1028381731.db2.gz IQCSKGOGAJBWKQ-IIDMSEBBSA-N 2 1 329.513 3.671 20 0 EHADMP COc1cccc([C@H](C)[NH2+][C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000423364074 1028392463 /nfs/dbraw/zinc/39/24/63/1028392463.db2.gz JJQVCZYQTIHCDO-QKMWGZLOSA-N 2 1 346.421 3.770 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F)[C@H](C)[NH3+] ZINC000423439678 1028446847 /nfs/dbraw/zinc/44/68/47/1028446847.db2.gz HWQOGHWXTUSHBK-YIZRAAEISA-N 2 1 339.199 3.854 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423457465 1028449250 /nfs/dbraw/zinc/44/92/50/1028449250.db2.gz FTUSZODIUVQETL-NURSFMCSSA-N 2 1 329.307 3.559 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423471056 1028458586 /nfs/dbraw/zinc/45/85/86/1028458586.db2.gz DVKFTVDUVSFRPY-QNGMFEMESA-N 3 1 329.532 3.551 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000423487948 1028477817 /nfs/dbraw/zinc/47/78/17/1028477817.db2.gz UYCPITFVTBSSKI-MYGLTJDJSA-N 3 1 341.543 3.551 20 0 EHADMP c1ccc(CN2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000423487948 1028477823 /nfs/dbraw/zinc/47/78/23/1028477823.db2.gz UYCPITFVTBSSKI-MYGLTJDJSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H](Cc2cccnc2)c2cccc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000423509326 1028487372 /nfs/dbraw/zinc/48/73/72/1028487372.db2.gz LXPYXHVXQXSKRH-UIAACRFSSA-N 2 1 343.902 3.936 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423533470 1028488292 /nfs/dbraw/zinc/48/82/92/1028488292.db2.gz TZRJZYFTRGLZTI-JBOLQRTASA-N 2 1 336.479 3.532 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423525607 1028499235 /nfs/dbraw/zinc/49/92/35/1028499235.db2.gz KOLUTVRICRWIFC-WQTXXOFMSA-N 2 1 346.478 3.587 20 0 EHADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136066 1028583161 /nfs/dbraw/zinc/58/31/61/1028583161.db2.gz XOVBXAJVWRXETL-DOTOQJQBSA-N 2 1 330.497 3.929 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001168266028 1028690933 /nfs/dbraw/zinc/69/09/33/1028690933.db2.gz AAGYXLPLVGCQNP-FQEVSTJZSA-N 2 1 340.511 3.503 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001168266028 1028690940 /nfs/dbraw/zinc/69/09/40/1028690940.db2.gz AAGYXLPLVGCQNP-FQEVSTJZSA-N 2 1 340.511 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccsc1 ZINC000246806151 1028694121 /nfs/dbraw/zinc/69/41/21/1028694121.db2.gz AJJUHAYMCZRMOD-HZPDHXFCSA-N 2 1 330.497 3.820 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccsc1 ZINC000246806151 1028694127 /nfs/dbraw/zinc/69/41/27/1028694127.db2.gz AJJUHAYMCZRMOD-HZPDHXFCSA-N 2 1 330.497 3.820 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122911054 1028770062 /nfs/dbraw/zinc/77/00/62/1028770062.db2.gz XKWUIFIBIIQCIF-LEWJYISDSA-N 2 1 343.559 3.576 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C(C)C)c(F)c1 ZINC000421826878 1028815233 /nfs/dbraw/zinc/81/52/33/1028815233.db2.gz VDSIBECJRZJHLN-LIRRHRJNSA-N 2 1 333.451 3.962 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421826354 1028816155 /nfs/dbraw/zinc/81/61/55/1028816155.db2.gz RYQVSYGFDBJRNW-ORAYPTAESA-N 2 1 331.435 3.716 20 0 EHADMP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421829795 1028818675 /nfs/dbraw/zinc/81/86/75/1028818675.db2.gz IXBASZMTPGJMPW-LJQANCHMSA-N 2 1 331.435 3.860 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(F)c1 ZINC000123122597 1028820698 /nfs/dbraw/zinc/82/06/98/1028820698.db2.gz UDBKHFDPMWNWDQ-MRXNPFEDSA-N 2 1 349.494 3.515 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414776380 1028828885 /nfs/dbraw/zinc/82/88/85/1028828885.db2.gz HFJNDUJUKDBWRY-STQMWFEESA-N 2 1 343.334 3.641 20 0 EHADMP CC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000248172028 1028855236 /nfs/dbraw/zinc/85/52/36/1028855236.db2.gz UYBVQXMIHZDDCZ-WFXMLNOXSA-N 2 1 329.532 3.532 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414776790 1028859871 /nfs/dbraw/zinc/85/98/71/1028859871.db2.gz HTFBAULNWHMLSC-MOPGFXCFSA-N 2 1 346.515 3.696 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C)cc(C[NH3+])c2)cc1 ZINC000424236482 1028904236 /nfs/dbraw/zinc/90/42/36/1028904236.db2.gz IYLXDEAVGUYZNJ-UHFFFAOYSA-N 2 1 339.483 3.938 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598980 1028908589 /nfs/dbraw/zinc/90/85/89/1028908589.db2.gz IHJCGUKIXRSGHI-CHWSQXEVSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598980 1028908561 /nfs/dbraw/zinc/90/85/61/1028908561.db2.gz IHJCGUKIXRSGHI-CHWSQXEVSA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598980 1028908606 /nfs/dbraw/zinc/90/86/06/1028908606.db2.gz IHJCGUKIXRSGHI-CHWSQXEVSA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598980 1028908621 /nfs/dbraw/zinc/90/86/21/1028908621.db2.gz IHJCGUKIXRSGHI-CHWSQXEVSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000248737816 1028943674 /nfs/dbraw/zinc/94/36/74/1028943674.db2.gz PBOUCEIYZPPEHL-SIZVQLJJSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000248737816 1028943688 /nfs/dbraw/zinc/94/36/88/1028943688.db2.gz PBOUCEIYZPPEHL-SIZVQLJJSA-N 2 1 346.540 3.678 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)C[C@H]2C1 ZINC000424324070 1028970385 /nfs/dbraw/zinc/97/03/85/1028970385.db2.gz WSAFPOPKARZABV-SGTQZHETSA-N 2 1 348.556 3.924 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)C[C@H]2C1 ZINC000424324070 1028970395 /nfs/dbraw/zinc/97/03/95/1028970395.db2.gz WSAFPOPKARZABV-SGTQZHETSA-N 2 1 348.556 3.924 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]2C1 ZINC000424324050 1028971143 /nfs/dbraw/zinc/97/11/43/1028971143.db2.gz WPZZMTGEZDBYRW-JNPZDDRKSA-N 2 1 342.527 3.833 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]2C1 ZINC000424324050 1028971158 /nfs/dbraw/zinc/97/11/58/1028971158.db2.gz WPZZMTGEZDBYRW-JNPZDDRKSA-N 2 1 342.527 3.833 20 0 EHADMP c1csc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414781629 1028987968 /nfs/dbraw/zinc/98/79/68/1028987968.db2.gz NISPHIYARGLSNC-KBPBESRZSA-N 2 1 333.526 3.693 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000245698727 1029031740 /nfs/dbraw/zinc/03/17/40/1029031740.db2.gz CSMYPBBLQQORAX-XJKSGUPXSA-N 2 1 340.895 3.519 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000245698727 1029031755 /nfs/dbraw/zinc/03/17/55/1029031755.db2.gz CSMYPBBLQQORAX-XJKSGUPXSA-N 2 1 340.895 3.519 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000245698727 1029031800 /nfs/dbraw/zinc/03/18/00/1029031800.db2.gz CSMYPBBLQQORAX-XJKSGUPXSA-N 2 1 340.895 3.519 20 0 EHADMP CS[C@@H]1CCCC[NH+](CCC[N@@H+]2CCCC[C@@H](SC)C2)C1 ZINC000245723895 1029140738 /nfs/dbraw/zinc/14/07/38/1029140738.db2.gz BDXRZWJEGKIEFL-IAGOWNOFSA-N 2 1 330.607 3.812 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC[C@H]21 ZINC000245729098 1029178138 /nfs/dbraw/zinc/17/81/38/1029178138.db2.gz DZZFJYKMNPZADH-CRAIPNDOSA-N 2 1 344.890 3.646 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897534552 1029413798 /nfs/dbraw/zinc/41/37/98/1029413798.db2.gz XJAASMRELHPDJW-KRXUUXHPSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897534552 1029413807 /nfs/dbraw/zinc/41/38/07/1029413807.db2.gz XJAASMRELHPDJW-KRXUUXHPSA-N 2 1 342.527 3.885 20 0 EHADMP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396186 1029446273 /nfs/dbraw/zinc/44/62/73/1029446273.db2.gz YUNFDBKUTPTZPI-ICSRJNTNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272396186 1029446280 /nfs/dbraw/zinc/44/62/80/1029446280.db2.gz YUNFDBKUTPTZPI-ICSRJNTNSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396186 1029446284 /nfs/dbraw/zinc/44/62/84/1029446284.db2.gz YUNFDBKUTPTZPI-ICSRJNTNSA-N 3 1 343.559 3.750 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479746 1029476975 /nfs/dbraw/zinc/47/69/75/1029476975.db2.gz MCKGEHPOJZNKSI-SYYKKAFVSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720175 1029578663 /nfs/dbraw/zinc/57/86/63/1029578663.db2.gz XCDNEXJOZDPDBI-TYPHKJRUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000272720175 1029578667 /nfs/dbraw/zinc/57/86/67/1029578667.db2.gz XCDNEXJOZDPDBI-TYPHKJRUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000272720175 1029578673 /nfs/dbraw/zinc/57/86/73/1029578673.db2.gz XCDNEXJOZDPDBI-TYPHKJRUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272720175 1029578683 /nfs/dbraw/zinc/57/86/83/1029578683.db2.gz XCDNEXJOZDPDBI-TYPHKJRUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720175 1029578694 /nfs/dbraw/zinc/57/86/94/1029578694.db2.gz XCDNEXJOZDPDBI-TYPHKJRUSA-N 2 1 341.543 3.504 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125821035 1029616603 /nfs/dbraw/zinc/61/66/03/1029616603.db2.gz UDGULMFSYHCEHA-SJLPKXTDSA-N 2 1 334.504 3.865 20 0 EHADMP Fc1cccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000655764205 1029670474 /nfs/dbraw/zinc/67/04/74/1029670474.db2.gz DYSWMOWRVQBAGX-QMMLZNLJSA-N 2 1 346.490 3.695 20 0 EHADMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCCCC2)cc1OC ZINC000455668810 1029819681 /nfs/dbraw/zinc/81/96/81/1029819681.db2.gz ZIDBEIBKCHOXEL-UHFFFAOYSA-N 2 1 346.515 3.838 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453212918 1029921275 /nfs/dbraw/zinc/92/12/75/1029921275.db2.gz LVUAWXPEOJSJSG-KSZLIROESA-N 2 1 338.442 3.649 20 0 EHADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)on1 ZINC000453219597 1029928739 /nfs/dbraw/zinc/92/87/39/1029928739.db2.gz WHDNWJAFXDNZTI-HBMCJLEFSA-N 2 1 339.483 3.558 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000525709501 1030049251 /nfs/dbraw/zinc/04/92/51/1030049251.db2.gz IFRUGSXADVIFFV-FUHWJXTLSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000525709501 1030049262 /nfs/dbraw/zinc/04/92/62/1030049262.db2.gz IFRUGSXADVIFFV-FUHWJXTLSA-N 2 1 334.504 3.837 20 0 EHADMP CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453275400 1030060781 /nfs/dbraw/zinc/06/07/81/1030060781.db2.gz LTKMFSJQQKAJES-NJDAHSKKSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453308377 1030079099 /nfs/dbraw/zinc/07/90/99/1030079099.db2.gz LMSWWMXUKAHXDD-MZYLBHOOSA-N 2 1 349.522 3.965 20 0 EHADMP CO[C@H]([C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000453352754 1030145278 /nfs/dbraw/zinc/14/52/78/1030145278.db2.gz HPQSGQXVSFEKKX-HSZSURFESA-N 2 1 330.516 3.833 20 0 EHADMP CO[C@@H]([C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000453352755 1030145315 /nfs/dbraw/zinc/14/53/15/1030145315.db2.gz HPQSGQXVSFEKKX-JPXCIIHESA-N 2 1 330.516 3.833 20 0 EHADMP CO[C@H]([C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000453352756 1030145487 /nfs/dbraw/zinc/14/54/87/1030145487.db2.gz HPQSGQXVSFEKKX-XZSMBWTPSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964030 1030149858 /nfs/dbraw/zinc/14/98/58/1030149858.db2.gz MIAMXQJQKGQIII-GJYPPUQNSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964030 1030149866 /nfs/dbraw/zinc/14/98/66/1030149866.db2.gz MIAMXQJQKGQIII-GJYPPUQNSA-N 2 1 331.504 3.611 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719258 1030156992 /nfs/dbraw/zinc/15/69/92/1030156992.db2.gz JPCKGTDMJRIWQN-AVRDEDQJSA-N 3 1 337.511 3.549 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000650719258 1030157008 /nfs/dbraw/zinc/15/70/08/1030157008.db2.gz JPCKGTDMJRIWQN-AVRDEDQJSA-N 2 1 337.511 3.549 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550794501 1030176161 /nfs/dbraw/zinc/17/61/61/1030176161.db2.gz HVFYQZGECYBTBM-PWRODBHTSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550794501 1030176174 /nfs/dbraw/zinc/17/61/74/1030176174.db2.gz HVFYQZGECYBTBM-PWRODBHTSA-N 2 1 330.516 3.743 20 0 EHADMP COCC(C)(C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772131 1030187959 /nfs/dbraw/zinc/18/79/59/1030187959.db2.gz KAKQVPOXNYTEBO-LJQANCHMSA-N 2 1 330.516 3.551 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)C1CC1 ZINC000453405849 1030214010 /nfs/dbraw/zinc/21/40/10/1030214010.db2.gz QOIIHMBBABWPHA-HXUWFJFHSA-N 2 1 338.499 3.714 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000157069958 1030237981 /nfs/dbraw/zinc/23/79/81/1030237981.db2.gz ROPZGWKVXHPWGA-DOTOQJQBSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000157069958 1030237994 /nfs/dbraw/zinc/23/79/94/1030237994.db2.gz ROPZGWKVXHPWGA-DOTOQJQBSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157069958 1030238009 /nfs/dbraw/zinc/23/80/09/1030238009.db2.gz ROPZGWKVXHPWGA-DOTOQJQBSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157069958 1030238017 /nfs/dbraw/zinc/23/80/17/1030238017.db2.gz ROPZGWKVXHPWGA-DOTOQJQBSA-N 2 1 344.421 3.550 20 0 EHADMP CC[NH+](CC)Cc1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000525956610 1030253140 /nfs/dbraw/zinc/25/31/40/1030253140.db2.gz BAFKPMQBUKEPPL-UHFFFAOYSA-N 2 1 342.487 3.810 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420170 1030270829 /nfs/dbraw/zinc/27/08/29/1030270829.db2.gz ZLBHOAXUQFQRAY-AWEZNQCLSA-N 2 1 339.321 3.844 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000482229465 1030272097 /nfs/dbraw/zinc/27/20/97/1030272097.db2.gz NVHWCNJACQLSJV-IBGZPJMESA-N 2 1 330.516 3.512 20 0 EHADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588525 1030324424 /nfs/dbraw/zinc/32/44/24/1030324424.db2.gz VHWFCJZSOWRCHD-MVWVFHAYSA-N 2 1 335.495 3.798 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000453588770 1030378609 /nfs/dbraw/zinc/37/86/09/1030378609.db2.gz VOTAXXGEOXZAMG-SNVBAGLBSA-N 2 1 342.306 3.750 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000526057655 1030397735 /nfs/dbraw/zinc/39/77/35/1030397735.db2.gz MQNUDOGFHCYQHU-IPJJNNNSSA-N 2 1 344.543 3.518 20 0 EHADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCCC1 ZINC000526118683 1030435328 /nfs/dbraw/zinc/43/53/28/1030435328.db2.gz NZRQGTLGAVJWNH-WMQCIHAUSA-N 2 1 330.516 3.834 20 0 EHADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCCC1 ZINC000526118683 1030435335 /nfs/dbraw/zinc/43/53/35/1030435335.db2.gz NZRQGTLGAVJWNH-WMQCIHAUSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3ccsc3)CCCC2)CC1 ZINC000532230970 1030495551 /nfs/dbraw/zinc/49/55/51/1030495551.db2.gz QSLHNWUQXNKDPB-INIZCTEOSA-N 2 1 336.545 3.692 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000532239878 1030504099 /nfs/dbraw/zinc/50/40/99/1030504099.db2.gz VLPRYCQRZQRAGM-MRXNPFEDSA-N 2 1 331.504 3.731 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000482556632 1030529741 /nfs/dbraw/zinc/52/97/41/1030529741.db2.gz PLLDQHZFTMGABJ-NHCUHLMSSA-N 2 1 335.580 3.743 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000482625953 1030600212 /nfs/dbraw/zinc/60/02/12/1030600212.db2.gz DHKNPLKZKQJDQE-QRVBRYPASA-N 2 1 347.547 3.541 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000093792621 1030677284 /nfs/dbraw/zinc/67/72/84/1030677284.db2.gz BCXZNJHQJJLJFS-NRFANRHFSA-N 2 1 346.515 3.551 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000093792621 1030677325 /nfs/dbraw/zinc/67/73/25/1030677325.db2.gz BCXZNJHQJJLJFS-NRFANRHFSA-N 2 1 346.515 3.551 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000583776124 1030703059 /nfs/dbraw/zinc/70/30/59/1030703059.db2.gz QYNWENUSGLVBII-IRFCIJBXSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583776124 1030703068 /nfs/dbraw/zinc/70/30/68/1030703068.db2.gz QYNWENUSGLVBII-IRFCIJBXSA-N 2 1 331.548 3.750 20 0 EHADMP Cc1cc(C)cc(OCCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000482942027 1030833694 /nfs/dbraw/zinc/83/36/94/1030833694.db2.gz BKVCMUCKIOORPG-UHFFFAOYSA-N 2 1 341.499 3.761 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc3c2OCO3)CC1)CC1CC1 ZINC000536142491 1030920576 /nfs/dbraw/zinc/92/05/76/1030920576.db2.gz WXPSTXUXQRGZPN-UHFFFAOYSA-N 2 1 344.499 3.749 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070575 1030939444 /nfs/dbraw/zinc/93/94/44/1030939444.db2.gz GLJVKHQDGFIVKB-MLGOLLRUSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070575 1030939464 /nfs/dbraw/zinc/93/94/64/1030939464.db2.gz GLJVKHQDGFIVKB-MLGOLLRUSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070575 1030939483 /nfs/dbraw/zinc/93/94/83/1030939483.db2.gz GLJVKHQDGFIVKB-MLGOLLRUSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070575 1030939504 /nfs/dbraw/zinc/93/95/04/1030939504.db2.gz GLJVKHQDGFIVKB-MLGOLLRUSA-N 2 1 343.284 3.893 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000483130558 1030991215 /nfs/dbraw/zinc/99/12/15/1030991215.db2.gz XMBCGLJCTOPNKF-AZUAARDMSA-N 2 1 348.531 3.571 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000551083809 1031023821 /nfs/dbraw/zinc/02/38/21/1031023821.db2.gz MINUEIKUKQAEAQ-BJESRGMDSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000551083809 1031023840 /nfs/dbraw/zinc/02/38/40/1031023840.db2.gz MINUEIKUKQAEAQ-BJESRGMDSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000551083809 1031023862 /nfs/dbraw/zinc/02/38/62/1031023862.db2.gz MINUEIKUKQAEAQ-BJESRGMDSA-N 2 1 349.522 3.857 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)CCS2 ZINC000343470368 1031026867 /nfs/dbraw/zinc/02/68/67/1031026867.db2.gz SAVPNMGKIABMHL-YJBOKZPZSA-N 2 1 334.529 3.944 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000483280750 1031087440 /nfs/dbraw/zinc/08/74/40/1031087440.db2.gz QMCCOZMYWWUNCX-FQEVSTJZSA-N 2 1 328.500 3.783 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000483280750 1031087456 /nfs/dbraw/zinc/08/74/56/1031087456.db2.gz QMCCOZMYWWUNCX-FQEVSTJZSA-N 2 1 328.500 3.783 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527654139 1031115309 /nfs/dbraw/zinc/11/53/09/1031115309.db2.gz PWKLPQJFHKCYJM-CQSZACIVSA-N 2 1 344.421 3.924 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527654139 1031115320 /nfs/dbraw/zinc/11/53/20/1031115320.db2.gz PWKLPQJFHKCYJM-CQSZACIVSA-N 2 1 344.421 3.924 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC4CCCC4)c3)CC[C@H]21 ZINC000537698323 1031137896 /nfs/dbraw/zinc/13/78/96/1031137896.db2.gz WGKQNWKPPATMNE-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CC[C@H]21 ZINC000537698323 1031137908 /nfs/dbraw/zinc/13/79/08/1031137908.db2.gz WGKQNWKPPATMNE-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CC[C@H]21 ZINC000537698323 1031137918 /nfs/dbraw/zinc/13/79/18/1031137918.db2.gz WGKQNWKPPATMNE-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1OC(F)F ZINC000537698369 1031141110 /nfs/dbraw/zinc/14/11/10/1031141110.db2.gz YMXBXZHFYDNANF-DLBZAZTESA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698369 1031141121 /nfs/dbraw/zinc/14/11/21/1031141121.db2.gz YMXBXZHFYDNANF-DLBZAZTESA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698369 1031141130 /nfs/dbraw/zinc/14/11/30/1031141130.db2.gz YMXBXZHFYDNANF-DLBZAZTESA-N 2 1 338.442 3.821 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@]1(C)CCCO1 ZINC000551265872 1031178897 /nfs/dbraw/zinc/17/88/97/1031178897.db2.gz QMSNPWUMDFWPRE-OPYAIIAOSA-N 2 1 330.516 3.966 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583994324 1031332039 /nfs/dbraw/zinc/33/20/39/1031332039.db2.gz XCDSTQIDNXBULM-LJQANCHMSA-N 2 1 328.500 3.590 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583994324 1031332052 /nfs/dbraw/zinc/33/20/52/1031332052.db2.gz XCDSTQIDNXBULM-LJQANCHMSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527871198 1031356454 /nfs/dbraw/zinc/35/64/54/1031356454.db2.gz SXOQVEGRDSJIMT-GARJFASQSA-N 2 1 347.247 3.861 20 0 EHADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483844870 1031373314 /nfs/dbraw/zinc/37/33/14/1031373314.db2.gz AEDHRZCYCCYDBG-HMXCVIKNSA-N 2 1 332.532 3.938 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000151417579 1031413263 /nfs/dbraw/zinc/41/32/63/1031413263.db2.gz QADHYIXBGLBMRE-UHFFFAOYSA-N 2 1 333.451 3.911 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999381 1031485798 /nfs/dbraw/zinc/48/57/98/1031485798.db2.gz ANAMQICVTFBYFN-CQSZACIVSA-N 2 1 338.879 3.512 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)C1 ZINC000528015436 1031632093 /nfs/dbraw/zinc/63/20/93/1031632093.db2.gz XKQNGDIZNBJKSX-QMMLZNLJSA-N 2 1 333.564 3.636 20 0 EHADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000194895507 1031644526 /nfs/dbraw/zinc/64/45/26/1031644526.db2.gz WMLTUTHJRSWEBG-HZPDHXFCSA-N 2 1 334.529 3.560 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000194895466 1031645067 /nfs/dbraw/zinc/64/50/67/1031645067.db2.gz WMLTUTHJRSWEBG-HOTGVXAUSA-N 2 1 334.529 3.560 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657826042 1031673281 /nfs/dbraw/zinc/67/32/81/1031673281.db2.gz QNFFGMXYQRXKGJ-HNNXBMFYSA-N 2 1 342.483 3.992 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OCC ZINC000178707581 1031716927 /nfs/dbraw/zinc/71/69/27/1031716927.db2.gz IKIZXESQARJMGY-CVEARBPZSA-N 2 1 345.487 3.976 20 0 EHADMP Clc1c[nH+]ccc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343634160 1031720019 /nfs/dbraw/zinc/72/00/19/1031720019.db2.gz ULPXFCKOEDERII-IBGZPJMESA-N 2 1 327.859 3.837 20 0 EHADMP Clc1c[nH+]ccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343634160 1031720038 /nfs/dbraw/zinc/72/00/38/1031720038.db2.gz ULPXFCKOEDERII-IBGZPJMESA-N 2 1 327.859 3.837 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)[C@@H](c1ccccc1)C2 ZINC000178976340 1031724793 /nfs/dbraw/zinc/72/47/93/1031724793.db2.gz XKHSNTRNYDSMBD-JOCHJYFZSA-N 2 1 336.479 3.794 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013822 1031972184 /nfs/dbraw/zinc/97/21/84/1031972184.db2.gz ZEQYJHRZXRKCLY-RYUDHWBXSA-N 2 1 331.323 3.811 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013822 1031972204 /nfs/dbraw/zinc/97/22/04/1031972204.db2.gz ZEQYJHRZXRKCLY-RYUDHWBXSA-N 2 1 331.323 3.811 20 0 EHADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000904405085 1032019428 /nfs/dbraw/zinc/01/94/28/1032019428.db2.gz IVVYOAMCSVVCFW-ZDUSSCGKSA-N 2 1 327.453 3.727 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000568651053 1032026123 /nfs/dbraw/zinc/02/61/23/1032026123.db2.gz GYLBITMIYOOXRA-ZWOKBUDYSA-N 2 1 339.483 3.651 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000459401669 1032039682 /nfs/dbraw/zinc/03/96/82/1032039682.db2.gz DZBVACIVCURSKY-LJQANCHMSA-N 2 1 340.858 3.585 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1C ZINC000151768417 1032052276 /nfs/dbraw/zinc/05/22/76/1032052276.db2.gz WASFEQVMCOVYMO-LBPRGKRZSA-N 2 1 336.277 3.688 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000685470886 1033372181 /nfs/dbraw/zinc/37/21/81/1033372181.db2.gz ZLHVUSLXGGXVNC-QXAKKESOSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000685470886 1033372195 /nfs/dbraw/zinc/37/21/95/1033372195.db2.gz ZLHVUSLXGGXVNC-QXAKKESOSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000685470886 1033372206 /nfs/dbraw/zinc/37/22/06/1033372206.db2.gz ZLHVUSLXGGXVNC-QXAKKESOSA-N 2 1 346.515 3.789 20 0 EHADMP Cc1ncccc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000898249743 1033407958 /nfs/dbraw/zinc/40/79/58/1033407958.db2.gz DLEDDKFNGTTYLH-NNWRFLSQSA-N 2 1 335.495 3.575 20 0 EHADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000574956610 1033741448 /nfs/dbraw/zinc/74/14/48/1033741448.db2.gz UKVHNKGTPHNBCO-ZWKOTPCHSA-N 2 1 332.536 3.691 20 0 EHADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621627 1033744469 /nfs/dbraw/zinc/74/44/69/1033744469.db2.gz MNCQOCZXMKAITA-BHIFYINESA-N 2 1 343.559 3.922 20 0 EHADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627758 1033760030 /nfs/dbraw/zinc/76/00/30/1033760030.db2.gz PXXNBZDQWXDVIU-CTNGQTDRSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627758 1033760045 /nfs/dbraw/zinc/76/00/45/1033760045.db2.gz PXXNBZDQWXDVIU-CTNGQTDRSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627758 1033760064 /nfs/dbraw/zinc/76/00/64/1033760064.db2.gz PXXNBZDQWXDVIU-CTNGQTDRSA-N 2 1 329.532 3.676 20 0 EHADMP c1ccc([C@@H]2CCC[C@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655771308 1033850674 /nfs/dbraw/zinc/85/06/74/1033850674.db2.gz HAYHMWCXWNPAOZ-BVSLBCMMSA-N 2 1 342.527 3.803 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658091027 1033917627 /nfs/dbraw/zinc/91/76/27/1033917627.db2.gz KFKOTIAZLLRQCK-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658091027 1033917639 /nfs/dbraw/zinc/91/76/39/1033917639.db2.gz KFKOTIAZLLRQCK-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658091027 1033917648 /nfs/dbraw/zinc/91/76/48/1033917648.db2.gz KFKOTIAZLLRQCK-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C)c1 ZINC000658134714 1033971558 /nfs/dbraw/zinc/97/15/58/1033971558.db2.gz BGMFAEXPCFSTKM-FCHUYYIVSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000658141672 1033987958 /nfs/dbraw/zinc/98/79/58/1033987958.db2.gz SZWAJPPBEUOKRA-GHTZIAJQSA-N 2 1 338.495 3.721 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)s1 ZINC000658141189 1033988210 /nfs/dbraw/zinc/98/82/10/1033988210.db2.gz ROIIHNOLXQTNQN-KXBFYZLASA-N 2 1 344.524 3.782 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000548861081 1034041300 /nfs/dbraw/zinc/04/13/00/1034041300.db2.gz BTZLLXYFKIUICD-XLIONFOSSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000658223182 1034080688 /nfs/dbraw/zinc/08/06/88/1034080688.db2.gz ZIMSEVHYCRYNMG-JFHUYLGKSA-N 2 1 328.500 3.729 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(OC(C)C)cc32)C1 ZINC000450362101 1034172696 /nfs/dbraw/zinc/17/26/96/1034172696.db2.gz QANXGGBKZJUNPQ-INIZCTEOSA-N 2 1 327.472 3.800 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(OC(C)C)cc32)C1 ZINC000450362102 1034173713 /nfs/dbraw/zinc/17/37/13/1034173713.db2.gz QANXGGBKZJUNPQ-MRXNPFEDSA-N 2 1 327.472 3.800 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(C)C ZINC000658320022 1034193761 /nfs/dbraw/zinc/19/37/61/1034193761.db2.gz MCQRDSVFTUJMLW-WOJBJXKFSA-N 2 1 330.516 3.549 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCOC1 ZINC000658319654 1034196650 /nfs/dbraw/zinc/19/66/50/1034196650.db2.gz GPIVEJRDVAJGOB-JBACZVJFSA-N 2 1 342.527 3.693 20 0 EHADMP C[NH+](C)C1CCC([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001168329222 1034204117 /nfs/dbraw/zinc/20/41/17/1034204117.db2.gz QOUVFZLIUNIERN-UHFFFAOYSA-N 3 1 347.522 3.595 20 0 EHADMP C[NH+](C)C1CCC([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001168329222 1034204126 /nfs/dbraw/zinc/20/41/26/1034204126.db2.gz QOUVFZLIUNIERN-UHFFFAOYSA-N 3 1 347.522 3.595 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccsc3C(F)(F)F)C2)CC1 ZINC000529567216 1034219502 /nfs/dbraw/zinc/21/95/02/1034219502.db2.gz JXSJGYVKHGTNSY-ZDUSSCGKSA-N 2 1 332.435 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@@H+]1Cc1ccccc1 ZINC000421837047 1034248208 /nfs/dbraw/zinc/24/82/08/1034248208.db2.gz RWPFRQGJIQOYRE-COPCDDAFSA-N 2 1 349.522 3.972 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@H+]1Cc1ccccc1 ZINC000421837047 1034248223 /nfs/dbraw/zinc/24/82/23/1034248223.db2.gz RWPFRQGJIQOYRE-COPCDDAFSA-N 2 1 349.522 3.972 20 0 EHADMP C[C@@H](CC[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421828538 1034251587 /nfs/dbraw/zinc/25/15/87/1034251587.db2.gz DEULLIXEBSBHEO-RXVVDRJESA-N 2 1 337.511 3.829 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000340168590 1034366191 /nfs/dbraw/zinc/36/61/91/1034366191.db2.gz SLSTWNVGJACMOY-OALUTQOASA-N 2 1 340.467 3.629 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000340168590 1034366204 /nfs/dbraw/zinc/36/62/04/1034366204.db2.gz SLSTWNVGJACMOY-OALUTQOASA-N 2 1 340.467 3.629 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@H]1c1ccccc1 ZINC000340244681 1034478699 /nfs/dbraw/zinc/47/86/99/1034478699.db2.gz KDCSNUMHZKVTLQ-IRLDBZIGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@H]1c1ccccc1 ZINC000340244681 1034478704 /nfs/dbraw/zinc/47/87/04/1034478704.db2.gz KDCSNUMHZKVTLQ-IRLDBZIGSA-N 2 1 346.478 3.797 20 0 EHADMP C[NH+](C)CCOc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000604770066 1034487601 /nfs/dbraw/zinc/48/76/01/1034487601.db2.gz CTFMZKPMZRNZKD-UHFFFAOYSA-N 2 1 345.512 3.643 20 0 EHADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000375852019 1034721410 /nfs/dbraw/zinc/72/14/10/1034721410.db2.gz MXUHHXUQVLQLJD-TYPHKJRUSA-N 2 1 342.527 3.506 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(Br)c(C)c2)CC1 ZINC001232520198 1034787738 /nfs/dbraw/zinc/78/77/38/1034787738.db2.gz CELBWYBUPHKNBW-UHFFFAOYSA-N 2 1 339.321 3.982 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(Br)c(C)c2)CC1 ZINC001232520198 1034787756 /nfs/dbraw/zinc/78/77/56/1034787756.db2.gz CELBWYBUPHKNBW-UHFFFAOYSA-N 2 1 339.321 3.982 20 0 EHADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1OC=CC1=S)Cc1ccccc12 ZINC001279692576 1035231782 /nfs/dbraw/zinc/23/17/82/1035231782.db2.gz HBESPELSRSRMQG-UHFFFAOYSA-N 2 1 328.481 3.548 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000289420739 1035333229 /nfs/dbraw/zinc/33/32/29/1035333229.db2.gz JADGSHKTNHNDQI-BVYCBKJFSA-N 2 1 338.495 3.753 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000289420739 1035333234 /nfs/dbraw/zinc/33/32/34/1035333234.db2.gz JADGSHKTNHNDQI-BVYCBKJFSA-N 2 1 338.495 3.753 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000414078957 1035454524 /nfs/dbraw/zinc/45/45/24/1035454524.db2.gz BNERDFLVKQTTRH-WFXMLNOXSA-N 2 1 348.531 3.791 20 0 EHADMP Cc1ccncc1CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571488319 1035507125 /nfs/dbraw/zinc/50/71/25/1035507125.db2.gz LJTPOSOODJGSIP-DHIUTWEWSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571488319 1035507132 /nfs/dbraw/zinc/50/71/32/1035507132.db2.gz LJTPOSOODJGSIP-DHIUTWEWSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571488319 1035507140 /nfs/dbraw/zinc/50/71/40/1035507140.db2.gz LJTPOSOODJGSIP-DHIUTWEWSA-N 2 1 349.522 3.777 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000429785727 1035523645 /nfs/dbraw/zinc/52/36/45/1035523645.db2.gz RYIVWSIFFGGCMV-UWJYYQICSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000429785727 1035523659 /nfs/dbraw/zinc/52/36/59/1035523659.db2.gz RYIVWSIFFGGCMV-UWJYYQICSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000429785727 1035523672 /nfs/dbraw/zinc/52/36/72/1035523672.db2.gz RYIVWSIFFGGCMV-UWJYYQICSA-N 2 1 326.484 3.881 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000571551819 1035554118 /nfs/dbraw/zinc/55/41/18/1035554118.db2.gz VFOTVKJILOKIGP-JOCHJYFZSA-N 2 1 340.511 3.610 20 0 EHADMP Fc1ccc(F)c(CC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000414118933 1035607580 /nfs/dbraw/zinc/60/75/80/1035607580.db2.gz AEZBZFNZCRMRPD-UHFFFAOYSA-N 2 1 334.454 3.846 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000511492611 1035663276 /nfs/dbraw/zinc/66/32/76/1035663276.db2.gz FDYIYQOOOGZOKM-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136038 1035703309 /nfs/dbraw/zinc/70/33/09/1035703309.db2.gz HPHPKARTABPLTP-IEBWSBKVSA-N 2 1 349.950 3.592 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000659876748 1035764560 /nfs/dbraw/zinc/76/45/60/1035764560.db2.gz NBVYDQXKLFHLBF-UHFFFAOYSA-N 2 1 331.529 3.891 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534971605 1035844700 /nfs/dbraw/zinc/84/47/00/1035844700.db2.gz PFWJEDSQZBJZSR-HXUWFJFHSA-N 2 1 349.950 3.725 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171279 1035874938 /nfs/dbraw/zinc/87/49/38/1035874938.db2.gz DBXMHRUHRNVYLF-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000414175077 1035894574 /nfs/dbraw/zinc/89/45/74/1035894574.db2.gz IASPWFXIEJEQAQ-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000414183917 1035942585 /nfs/dbraw/zinc/94/25/85/1035942585.db2.gz OATXSAJMUQFXQN-SJORKVTESA-N 2 1 334.504 3.867 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000414187754 1035970015 /nfs/dbraw/zinc/97/00/15/1035970015.db2.gz PWSPDFUOGAHFJN-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000588709034 1035978789 /nfs/dbraw/zinc/97/87/89/1035978789.db2.gz HNHICABCFYRKBG-IYBDPMFKSA-N 2 1 336.907 3.661 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000588755041 1036025035 /nfs/dbraw/zinc/02/50/35/1036025035.db2.gz LVEGGVKKIVUSCX-SVMVAKDDSA-N 2 1 342.527 3.885 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242343 1036053438 /nfs/dbraw/zinc/05/34/38/1036053438.db2.gz GAAFJTMTNSWCBI-PMACEKPBSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242343 1036053460 /nfs/dbraw/zinc/05/34/60/1036053460.db2.gz GAAFJTMTNSWCBI-PMACEKPBSA-N 2 1 344.543 3.960 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415636 1036082306 /nfs/dbraw/zinc/08/23/06/1036082306.db2.gz AEXXWTULAQJHFG-YLJYHZDGSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000760713497 1036146013 /nfs/dbraw/zinc/14/60/13/1036146013.db2.gz MZZLLRVVAZHDFQ-IGOJGBNBSA-N 2 1 343.902 3.981 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000760713497 1036146022 /nfs/dbraw/zinc/14/60/22/1036146022.db2.gz MZZLLRVVAZHDFQ-IGOJGBNBSA-N 2 1 343.902 3.981 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000892581420 1036300726 /nfs/dbraw/zinc/30/07/26/1036300726.db2.gz XPHFDJNEPCPQBH-INIZCTEOSA-N 2 1 328.456 3.810 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)o1 ZINC000892581420 1036300741 /nfs/dbraw/zinc/30/07/41/1036300741.db2.gz XPHFDJNEPCPQBH-INIZCTEOSA-N 2 1 328.456 3.810 20 0 EHADMP COc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000190909059 1036300694 /nfs/dbraw/zinc/30/06/94/1036300694.db2.gz VHTDDVJZAPDOTA-UHFFFAOYSA-N 2 1 339.483 3.756 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(=O)OC)c1 ZINC000589196285 1036303669 /nfs/dbraw/zinc/30/36/69/1036303669.db2.gz NTATVSAEFXVLKI-UHFFFAOYSA-N 2 1 340.467 3.557 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206539 1036308446 /nfs/dbraw/zinc/30/84/46/1036308446.db2.gz RAPHPLFIEWANFE-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206539 1036308463 /nfs/dbraw/zinc/30/84/63/1036308463.db2.gz RAPHPLFIEWANFE-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206539 1036308476 /nfs/dbraw/zinc/30/84/76/1036308476.db2.gz RAPHPLFIEWANFE-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1 ZINC000892596632 1036448741 /nfs/dbraw/zinc/44/87/41/1036448741.db2.gz KZXMFAHULUYSOC-UHFFFAOYSA-N 2 1 347.528 3.770 20 0 EHADMP CC1CC[NH+]([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000192596603 1036534218 /nfs/dbraw/zinc/53/42/18/1036534218.db2.gz DTUKPOZTXIVEMY-XVLXNVKGSA-N 2 1 347.572 3.736 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000503918328 1036673448 /nfs/dbraw/zinc/67/34/48/1036673448.db2.gz QWEYSEHUVAYEGM-KRWDZBQOSA-N 2 1 347.503 3.635 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000122137912 1036739109 /nfs/dbraw/zinc/73/91/09/1036739109.db2.gz PRVXTTINIIMTKY-RQSWOZRGSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000122137912 1036739124 /nfs/dbraw/zinc/73/91/24/1036739124.db2.gz PRVXTTINIIMTKY-RQSWOZRGSA-N 2 1 340.511 3.587 20 0 EHADMP COC(=O)c1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)o1 ZINC001279109842 1036859960 /nfs/dbraw/zinc/85/99/60/1036859960.db2.gz YELKWFIAPYJMTL-VQTJNVASSA-N 2 1 346.471 3.533 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310867244 1036919120 /nfs/dbraw/zinc/91/91/20/1036919120.db2.gz SPOJPQXMTKHHLC-FUHWJXTLSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310867244 1036919135 /nfs/dbraw/zinc/91/91/35/1036919135.db2.gz SPOJPQXMTKHHLC-FUHWJXTLSA-N 2 1 342.458 3.835 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000590787063 1037052182 /nfs/dbraw/zinc/05/21/82/1037052182.db2.gz RFWWXEVLIBJKPU-INIZCTEOSA-N 2 1 342.487 3.850 20 0 EHADMP c1ccc2c(c1)CCC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000648497916 1037133138 /nfs/dbraw/zinc/13/31/38/1037133138.db2.gz YKDNEZUQSGRDNU-OAQYLSRUSA-N 2 1 342.527 3.559 20 0 EHADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000428557974 1037166925 /nfs/dbraw/zinc/16/69/25/1037166925.db2.gz FHTRBWWMBWONJW-GOSISDBHSA-N 2 1 345.874 3.691 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838564 1037244797 /nfs/dbraw/zinc/24/47/97/1037244797.db2.gz XDKOJONHRVNXJB-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838564 1037244807 /nfs/dbraw/zinc/24/48/07/1037244807.db2.gz XDKOJONHRVNXJB-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838564 1037244821 /nfs/dbraw/zinc/24/48/21/1037244821.db2.gz XDKOJONHRVNXJB-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000532442385 1037292525 /nfs/dbraw/zinc/29/25/25/1037292525.db2.gz ZWMRXPXVYDBHIP-JKSUJKDBSA-N 2 1 349.569 3.839 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454522 1037324275 /nfs/dbraw/zinc/32/42/75/1037324275.db2.gz PURUGHHXLNWXEN-UWJYYQICSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454522 1037324295 /nfs/dbraw/zinc/32/42/95/1037324295.db2.gz PURUGHHXLNWXEN-UWJYYQICSA-N 2 1 326.459 3.868 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797420 1037390743 /nfs/dbraw/zinc/39/07/43/1037390743.db2.gz DDHVBJHELSLINC-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797420 1037390763 /nfs/dbraw/zinc/39/07/63/1037390763.db2.gz DDHVBJHELSLINC-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797420 1037390786 /nfs/dbraw/zinc/39/07/86/1037390786.db2.gz DDHVBJHELSLINC-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797420 1037390806 /nfs/dbraw/zinc/39/08/06/1037390806.db2.gz DDHVBJHELSLINC-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP C[N@@H+](Cc1ccc(Br)cc1Cl)C1CCC([NH3+])CC1 ZINC000157335503 1037421615 /nfs/dbraw/zinc/42/16/15/1037421615.db2.gz SKZYSXWZCJYCJC-UHFFFAOYSA-N 2 1 331.685 3.804 20 0 EHADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C(F)(F)F)c1 ZINC001143479553 1037426601 /nfs/dbraw/zinc/42/66/01/1037426601.db2.gz ZEYSEUKDHORVRQ-UHFFFAOYSA-N 2 1 342.405 3.632 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cs1 ZINC000300271779 1037539509 /nfs/dbraw/zinc/53/95/09/1037539509.db2.gz XMRUEEDZPYQLKG-UHTWSYAYSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cs1 ZINC000300271779 1037539520 /nfs/dbraw/zinc/53/95/20/1037539520.db2.gz XMRUEEDZPYQLKG-UHTWSYAYSA-N 2 1 329.307 3.788 20 0 EHADMP COc1ccc(CC[NH+]2CCC([NH2+]C3CCC(C)CC3)CC2)cc1 ZINC001168203415 1037599497 /nfs/dbraw/zinc/59/94/97/1037599497.db2.gz ORLSBOOJZLGXQJ-UHFFFAOYSA-N 2 1 330.516 3.870 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000540139518 1037612042 /nfs/dbraw/zinc/61/20/42/1037612042.db2.gz AJVDPHFAYKLNBK-KCLUMXDGSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+]CC1(C[NH2+][C@@H](C)c2ccsc2)COC1)c1ccsc1 ZINC000669938593 1037664870 /nfs/dbraw/zinc/66/48/70/1037664870.db2.gz SJIMXPZRSFLIHM-KBPBESRZSA-N 2 1 336.526 3.828 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000493917578 1037709931 /nfs/dbraw/zinc/70/99/31/1037709931.db2.gz SGQGFGASVMHZAK-APHBMKBZSA-N 2 1 337.305 3.817 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000493917578 1037709945 /nfs/dbraw/zinc/70/99/45/1037709945.db2.gz SGQGFGASVMHZAK-APHBMKBZSA-N 2 1 337.305 3.817 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082402 1037726824 /nfs/dbraw/zinc/72/68/24/1037726824.db2.gz NGTGRRDGJPABBZ-FXAWDEMLSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082402 1037726838 /nfs/dbraw/zinc/72/68/38/1037726838.db2.gz NGTGRRDGJPABBZ-FXAWDEMLSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463069042 1037733171 /nfs/dbraw/zinc/73/31/71/1037733171.db2.gz UTYBJQDSZOIELJ-CTNGQTDRSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[C@@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069042 1037733179 /nfs/dbraw/zinc/73/31/79/1037733179.db2.gz UTYBJQDSZOIELJ-CTNGQTDRSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[C@@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069042 1037733196 /nfs/dbraw/zinc/73/31/96/1037733196.db2.gz UTYBJQDSZOIELJ-CTNGQTDRSA-N 2 1 343.559 3.894 20 0 EHADMP Cc1ccsc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463079038 1037746937 /nfs/dbraw/zinc/74/69/37/1037746937.db2.gz WBBFOGVSCLEEDM-UHFFFAOYSA-N 2 1 332.488 3.992 20 0 EHADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000897449930 1037747173 /nfs/dbraw/zinc/74/71/73/1037747173.db2.gz FUVSDKFGJXJQKY-UHFFFAOYSA-N 2 1 330.516 3.693 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463121210 1037788010 /nfs/dbraw/zinc/78/80/10/1037788010.db2.gz VHIXCVDTRJHTDD-CEMLEFRQSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463121210 1037788029 /nfs/dbraw/zinc/78/80/29/1037788029.db2.gz VHIXCVDTRJHTDD-CEMLEFRQSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463121210 1037788050 /nfs/dbraw/zinc/78/80/50/1037788050.db2.gz VHIXCVDTRJHTDD-CEMLEFRQSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC[NH+](C)C ZINC000540403907 1037897331 /nfs/dbraw/zinc/89/73/31/1037897331.db2.gz LDRBFSWHMBZWKP-NHYWBVRUSA-N 2 1 343.334 3.773 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(F)(F)F ZINC000463267136 1037970906 /nfs/dbraw/zinc/97/09/06/1037970906.db2.gz OFCXICKPBYPTGE-ZDUSSCGKSA-N 2 1 332.385 3.621 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CCN1C ZINC000123659881 1038053842 /nfs/dbraw/zinc/05/38/42/1038053842.db2.gz XAFXIKVQIVJQRV-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123659881 1038053860 /nfs/dbraw/zinc/05/38/60/1038053860.db2.gz XAFXIKVQIVJQRV-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123659881 1038053880 /nfs/dbraw/zinc/05/38/80/1038053880.db2.gz XAFXIKVQIVJQRV-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123659881 1038053898 /nfs/dbraw/zinc/05/38/98/1038053898.db2.gz XAFXIKVQIVJQRV-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123659881 1038053916 /nfs/dbraw/zinc/05/39/16/1038053916.db2.gz XAFXIKVQIVJQRV-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123659881 1038053935 /nfs/dbraw/zinc/05/39/35/1038053935.db2.gz XAFXIKVQIVJQRV-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123659881 1038053944 /nfs/dbraw/zinc/05/39/44/1038053944.db2.gz XAFXIKVQIVJQRV-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000124453755 1038188794 /nfs/dbraw/zinc/18/87/94/1038188794.db2.gz XRKKVHKALVXTJR-YLJYHZDGSA-N 2 1 327.472 3.742 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000124453755 1038188803 /nfs/dbraw/zinc/18/88/03/1038188803.db2.gz XRKKVHKALVXTJR-YLJYHZDGSA-N 2 1 327.472 3.742 20 0 EHADMP CC(C)[C@H](C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C)[NH+]1CCCC1 ZINC000539159398 1038710565 /nfs/dbraw/zinc/71/05/65/1038710565.db2.gz CUYMDKGUGNBZRE-PKOBYXMFSA-N 2 1 345.487 3.941 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903041 1038854349 /nfs/dbraw/zinc/85/43/49/1038854349.db2.gz PTKZSJMVSCOEKS-OALUTQOASA-N 2 1 340.515 3.847 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903041 1038854378 /nfs/dbraw/zinc/85/43/78/1038854378.db2.gz PTKZSJMVSCOEKS-OALUTQOASA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000479911055 1038886435 /nfs/dbraw/zinc/88/64/35/1038886435.db2.gz KJYOGAVWRJCTRL-RTBURBONSA-N 2 1 338.495 3.801 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000552042369 1038907515 /nfs/dbraw/zinc/90/75/15/1038907515.db2.gz BBUQDNMOMPPLGV-IYYMRFBLSA-N 2 1 342.527 3.900 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(OCC2CC2)c1 ZINC000552044293 1038910526 /nfs/dbraw/zinc/91/05/26/1038910526.db2.gz ZHRGQPZJVZJTKC-ZCNNSNEGSA-N 2 1 328.500 3.746 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1n1ccnc1 ZINC000432732966 1038953150 /nfs/dbraw/zinc/95/31/50/1038953150.db2.gz YLVVHHWBTBQSGX-IUODEOHRSA-N 2 1 330.432 3.715 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1n1ccnc1 ZINC000432732966 1038953159 /nfs/dbraw/zinc/95/31/59/1038953159.db2.gz YLVVHHWBTBQSGX-IUODEOHRSA-N 2 1 330.432 3.715 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000477856141 1038963780 /nfs/dbraw/zinc/96/37/80/1038963780.db2.gz XOXCQLUSXUMARA-BVYCBKJFSA-N 2 1 344.543 3.818 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000480080758 1039150558 /nfs/dbraw/zinc/15/05/58/1039150558.db2.gz AKAYZEQGXKQCKK-NQIIRXRSSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000480080758 1039150565 /nfs/dbraw/zinc/15/05/65/1039150565.db2.gz AKAYZEQGXKQCKK-NQIIRXRSSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000898517998 1039185799 /nfs/dbraw/zinc/18/57/99/1039185799.db2.gz FUFZKBLMKUNNNN-OUOFTWIQSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518446 1039186646 /nfs/dbraw/zinc/18/66/46/1039186646.db2.gz IXBXBAZKCNANBM-YYDGMXKLSA-N 2 1 342.527 3.692 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCSCC4)C[C@@H]3C2)cc1 ZINC000898521987 1039198073 /nfs/dbraw/zinc/19/80/73/1039198073.db2.gz HCIBQOYMTAZOAB-NSHGMRRFSA-N 2 1 330.541 3.772 20 0 EHADMP Cc1ncsc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523065 1039201856 /nfs/dbraw/zinc/20/18/56/1039201856.db2.gz YBBYYWYBDGIRGU-QYZOEREBSA-N 2 1 341.524 3.842 20 0 EHADMP Fc1ccc(CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000667631949 1039243210 /nfs/dbraw/zinc/24/32/10/1039243210.db2.gz NPYXPOHBWPUIPC-UHFFFAOYSA-N 2 1 336.414 3.614 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237167324 1039315896 /nfs/dbraw/zinc/31/58/96/1039315896.db2.gz QENBALGSPBRUTD-FUHWJXTLSA-N 2 1 343.515 3.907 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000480223850 1039321952 /nfs/dbraw/zinc/32/19/52/1039321952.db2.gz IWXSXNNKGBSRND-INIZCTEOSA-N 2 1 342.458 3.933 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000480223850 1039321970 /nfs/dbraw/zinc/32/19/70/1039321970.db2.gz IWXSXNNKGBSRND-INIZCTEOSA-N 2 1 342.458 3.933 20 0 EHADMP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)[nH]1 ZINC000660173726 1039578778 /nfs/dbraw/zinc/57/87/78/1039578778.db2.gz YNPGGDXGYGJITN-INIZCTEOSA-N 2 1 335.540 3.508 20 0 EHADMP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)[nH]1 ZINC000660173726 1039578796 /nfs/dbraw/zinc/57/87/96/1039578796.db2.gz YNPGGDXGYGJITN-INIZCTEOSA-N 2 1 335.540 3.508 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000480630118 1039807315 /nfs/dbraw/zinc/80/73/15/1039807315.db2.gz HQTILCROMLWIPT-SJORKVTESA-N 2 1 334.504 3.867 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000480705926 1039911003 /nfs/dbraw/zinc/91/10/03/1039911003.db2.gz DZKZJPDQUQBTFJ-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000480749528 1039971175 /nfs/dbraw/zinc/97/11/75/1039971175.db2.gz OQENWDUSTNXWJC-XMSQKQJNSA-N 2 1 338.495 3.833 20 0 EHADMP CN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000554949250 1039975356 /nfs/dbraw/zinc/97/53/56/1039975356.db2.gz FZLUDEZTNSKXLE-CEXWTWQISA-N 2 1 335.923 3.549 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522414 1040044520 /nfs/dbraw/zinc/04/45/20/1040044520.db2.gz YPWSUZSDPIUFEV-GMXVVIOVSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522414 1040044538 /nfs/dbraw/zinc/04/45/38/1040044538.db2.gz YPWSUZSDPIUFEV-GMXVVIOVSA-N 2 1 329.257 3.722 20 0 EHADMP Cc1cc2[nH]c(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c(C)c1 ZINC000479369396 1040172491 /nfs/dbraw/zinc/17/24/91/1040172491.db2.gz YGHVSNGTAOJWDW-HDICACEKSA-N 2 1 343.515 3.764 20 0 EHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432925236 1040191192 /nfs/dbraw/zinc/19/11/92/1040191192.db2.gz QVYFMWWWZUYWNQ-GFCCVEGCSA-N 2 1 343.418 3.955 20 0 EHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432925236 1040191209 /nfs/dbraw/zinc/19/12/09/1040191209.db2.gz QVYFMWWWZUYWNQ-GFCCVEGCSA-N 2 1 343.418 3.955 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3C(C)=CCC[C@@H]3C)CCCC2)CC1 ZINC000479551404 1040369572 /nfs/dbraw/zinc/36/95/72/1040369572.db2.gz FEWYHSHYCIXDLE-ICSRJNTNSA-N 2 1 334.548 3.992 20 0 EHADMP CCN1CCC([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000500143366 1040586032 /nfs/dbraw/zinc/58/60/32/1040586032.db2.gz YHKJGZPOBIKDIE-UHFFFAOYSA-N 2 1 332.488 3.558 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294181 1040618576 /nfs/dbraw/zinc/61/85/76/1040618576.db2.gz KBNJGZBTLSSNQV-HHXXYDBFSA-N 2 1 334.479 3.792 20 0 EHADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311104885 1040675959 /nfs/dbraw/zinc/67/59/59/1040675959.db2.gz QPBDLUZTNMINMY-OFOKGCAXSA-N 2 1 342.527 3.690 20 0 EHADMP CC(C)CCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612588 1040913724 /nfs/dbraw/zinc/91/37/24/1040913724.db2.gz VDPXJHGJACLCBB-OAQYLSRUSA-N 2 1 344.543 3.941 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C/C=C\c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487554355 1040942239 /nfs/dbraw/zinc/94/22/39/1040942239.db2.gz SJEBRHYDPXRHKI-SAEXZTQASA-N 2 1 335.495 3.985 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000668785737 1041013520 /nfs/dbraw/zinc/01/35/20/1041013520.db2.gz WGLDLNRCPWIFNX-PWRODBHTSA-N 2 1 330.516 3.539 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149741 1041097326 /nfs/dbraw/zinc/09/73/26/1041097326.db2.gz YJJBIXQUHQJXSP-YLJYHZDGSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149741 1041097342 /nfs/dbraw/zinc/09/73/42/1041097342.db2.gz YJJBIXQUHQJXSP-YLJYHZDGSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149741 1041097358 /nfs/dbraw/zinc/09/73/58/1041097358.db2.gz YJJBIXQUHQJXSP-YLJYHZDGSA-N 2 1 340.515 3.638 20 0 EHADMP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168373695 1041107090 /nfs/dbraw/zinc/10/70/90/1041107090.db2.gz SSMKHCRYRRVDPV-KRWDZBQOSA-N 2 1 330.516 3.823 20 0 EHADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168373695 1041107104 /nfs/dbraw/zinc/10/71/04/1041107104.db2.gz SSMKHCRYRRVDPV-KRWDZBQOSA-N 2 1 330.516 3.823 20 0 EHADMP Cc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212144741 1041115801 /nfs/dbraw/zinc/11/58/01/1041115801.db2.gz BSUGTJMEHVUIAB-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP CC1(C)CC([NH2+]Cc2cc(Br)ccc2F)CC(C)(C)[NH2+]1 ZINC000020143053 1041185193 /nfs/dbraw/zinc/18/51/93/1041185193.db2.gz AOFXBTSSFODTLG-UHFFFAOYSA-N 2 1 343.284 3.987 20 0 EHADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206003682 1132675589 /nfs/dbraw/zinc/67/55/89/1132675589.db2.gz LBRJWMFGKRBFGG-KBPBESRZSA-N 2 1 325.294 3.564 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000512974118 1041333439 /nfs/dbraw/zinc/33/34/39/1041333439.db2.gz CVIHMLXOPZBXOG-KNQAVFIVSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000512974118 1041333446 /nfs/dbraw/zinc/33/34/46/1041333446.db2.gz CVIHMLXOPZBXOG-KNQAVFIVSA-N 3 1 343.559 3.751 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccc(N)c3)C2)s1 ZINC000660496708 1041576351 /nfs/dbraw/zinc/57/63/51/1041576351.db2.gz JPRQONRYEHBHBG-QGZVFWFLSA-N 2 1 329.513 3.593 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccc(N)c3)C2)s1 ZINC000660496708 1041576354 /nfs/dbraw/zinc/57/63/54/1041576354.db2.gz JPRQONRYEHBHBG-QGZVFWFLSA-N 2 1 329.513 3.593 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccc(N)c3)C2)s1 ZINC000660496708 1041576358 /nfs/dbraw/zinc/57/63/58/1041576358.db2.gz JPRQONRYEHBHBG-QGZVFWFLSA-N 2 1 329.513 3.593 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278838761 1041625997 /nfs/dbraw/zinc/62/59/97/1041625997.db2.gz QRZOIMAPXHWRNB-KGLIPLIRSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000278838761 1041626001 /nfs/dbraw/zinc/62/60/01/1041626001.db2.gz QRZOIMAPXHWRNB-KGLIPLIRSA-N 2 1 341.421 3.843 20 0 EHADMP c1ccc(C[NH2+]C2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000660678419 1041770792 /nfs/dbraw/zinc/77/07/92/1041770792.db2.gz UEBBWCPAKFXYOK-QHCPKHFHSA-N 2 1 349.522 3.515 20 0 EHADMP c1cn([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000662751232 1042013527 /nfs/dbraw/zinc/01/35/27/1042013527.db2.gz VXFVEGAZDIRPLY-OAQYLSRUSA-N 2 1 338.499 3.706 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000652350265 1042409470 /nfs/dbraw/zinc/40/94/70/1042409470.db2.gz OPPMUSWJGORFTI-RAKLQZGLSA-N 2 1 334.891 3.546 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000164681541 1042440395 /nfs/dbraw/zinc/44/03/95/1042440395.db2.gz UDPNUUTVTKNXBC-QGZVFWFLSA-N 2 1 337.471 3.567 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC(F)CC1 ZINC000661999131 1042454107 /nfs/dbraw/zinc/45/41/07/1042454107.db2.gz RJWGLXWENRCMMP-PBPGXSGUSA-N 2 1 334.479 3.525 20 0 EHADMP CC1(C)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@H]1C(F)(F)F ZINC000662280432 1042653450 /nfs/dbraw/zinc/65/34/50/1042653450.db2.gz DKHHAMHEKWJXLR-MRXNPFEDSA-N 2 1 326.406 3.743 20 0 EHADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313455 1042683284 /nfs/dbraw/zinc/68/32/84/1042683284.db2.gz PMKKXRGMKSHCDO-VQIMIIECSA-N 2 1 345.531 3.589 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)CSC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000162268281 1042715813 /nfs/dbraw/zinc/71/58/13/1042715813.db2.gz YYUYLGXPWDHYGE-AWEZNQCLSA-N 2 1 336.549 3.572 20 0 EHADMP Fc1ccc(OC(F)F)c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663343881 1042726580 /nfs/dbraw/zinc/72/65/80/1042726580.db2.gz INTAIRATJHUCPH-AWEZNQCLSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663343881 1042726585 /nfs/dbraw/zinc/72/65/85/1042726585.db2.gz INTAIRATJHUCPH-AWEZNQCLSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663343881 1042726589 /nfs/dbraw/zinc/72/65/89/1042726589.db2.gz INTAIRATJHUCPH-AWEZNQCLSA-N 2 1 342.405 3.639 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345924 1042731056 /nfs/dbraw/zinc/73/10/56/1042731056.db2.gz OUSGVKLVCOINBI-HXUWFJFHSA-N 2 1 328.500 3.687 20 0 EHADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1OC(C)C ZINC000663347753 1042737065 /nfs/dbraw/zinc/73/70/65/1042737065.db2.gz UNAKFVNUJVSBAU-GOSISDBHSA-N 2 1 346.515 3.694 20 0 EHADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1OC(C)C ZINC000663347753 1042737070 /nfs/dbraw/zinc/73/70/70/1042737070.db2.gz UNAKFVNUJVSBAU-GOSISDBHSA-N 2 1 346.515 3.694 20 0 EHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466053 1042888756 /nfs/dbraw/zinc/88/87/56/1042888756.db2.gz NOHGUXRWWLMBLF-YJBOKZPZSA-N 2 1 332.463 3.533 20 0 EHADMP COC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467063 1042892291 /nfs/dbraw/zinc/89/22/91/1042892291.db2.gz ZJTSRULNFZWDEV-APWZRJJASA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467063 1042892296 /nfs/dbraw/zinc/89/22/96/1042892296.db2.gz ZJTSRULNFZWDEV-APWZRJJASA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467063 1042892301 /nfs/dbraw/zinc/89/23/01/1042892301.db2.gz ZJTSRULNFZWDEV-APWZRJJASA-N 2 1 336.907 3.739 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471814 1042902263 /nfs/dbraw/zinc/90/22/63/1042902263.db2.gz YMCMXKSBYNTTIP-FUHWJXTLSA-N 2 1 340.515 3.596 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001167834432 1043020386 /nfs/dbraw/zinc/02/03/86/1043020386.db2.gz JTMMHCZERQWLOA-HZPDHXFCSA-N 2 1 328.497 3.523 20 0 EHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000432409962 1043112246 /nfs/dbraw/zinc/11/22/46/1043112246.db2.gz KPWKPJYFGXXBAK-KGLIPLIRSA-N 2 1 330.925 3.943 20 0 EHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000432409962 1043112254 /nfs/dbraw/zinc/11/22/54/1043112254.db2.gz KPWKPJYFGXXBAK-KGLIPLIRSA-N 2 1 330.925 3.943 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432414711 1043130390 /nfs/dbraw/zinc/13/03/90/1043130390.db2.gz AMNAMTYRGDDUKD-MJGOQNOKSA-N 2 1 348.556 3.931 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344099599 1043256924 /nfs/dbraw/zinc/25/69/24/1043256924.db2.gz GXQVUDJCABPQAS-QFIPXVFZSA-N 2 1 343.559 3.925 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344113972 1043276287 /nfs/dbraw/zinc/27/62/87/1043276287.db2.gz KPCFRUCZWYCRAK-NRFANRHFSA-N 2 1 329.532 3.535 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000344289883 1043600525 /nfs/dbraw/zinc/60/05/25/1043600525.db2.gz LLZCLSGNZCCNSF-HXUWFJFHSA-N 2 1 326.484 3.631 20 0 EHADMP C[N@@H+](Cc1cc(Br)c(Cl)s1)C1CCC([NH3+])CC1 ZINC000227910851 1043944058 /nfs/dbraw/zinc/94/40/58/1043944058.db2.gz XYDNHXXPYKOTRV-UHFFFAOYSA-N 2 1 337.714 3.866 20 0 EHADMP COc1ccsc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279511108 1044156158 /nfs/dbraw/zinc/15/61/58/1044156158.db2.gz XIGZCDIUKPVWRE-UHFFFAOYSA-N 2 1 331.485 3.669 20 0 EHADMP c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000112517402 1044611061 /nfs/dbraw/zinc/61/10/61/1044611061.db2.gz AIHJVYGJDBLVOJ-JOCHJYFZSA-N 2 1 336.479 3.686 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000850036427 1136200884 /nfs/dbraw/zinc/20/08/84/1136200884.db2.gz RHKNIMYRJMWKOS-UHFFFAOYSA-N 2 1 340.309 3.505 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671240693 1126816312 /nfs/dbraw/zinc/81/63/12/1126816312.db2.gz LFHYSVQVIGPXLZ-INIZCTEOSA-N 2 1 342.487 3.850 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671240693 1126816315 /nfs/dbraw/zinc/81/63/15/1126816315.db2.gz LFHYSVQVIGPXLZ-INIZCTEOSA-N 2 1 342.487 3.850 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000174628637 1126857289 /nfs/dbraw/zinc/85/72/89/1126857289.db2.gz FUKKSSNHYKOZQO-WMZOPIPTSA-N 2 1 334.504 3.694 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000174628637 1126857291 /nfs/dbraw/zinc/85/72/91/1126857291.db2.gz FUKKSSNHYKOZQO-WMZOPIPTSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301146 1126885112 /nfs/dbraw/zinc/88/51/12/1126885112.db2.gz HRQDJWUNZIWLBE-LAUBAEHRSA-N 2 1 348.494 3.606 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301146 1126885115 /nfs/dbraw/zinc/88/51/15/1126885115.db2.gz HRQDJWUNZIWLBE-LAUBAEHRSA-N 2 1 348.494 3.606 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376932 1126936171 /nfs/dbraw/zinc/93/61/71/1126936171.db2.gz IIVSVLHFPIMCHE-CZUORRHYSA-N 2 1 339.321 3.843 20 0 EHADMP FC1(F)CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000380031666 1126934184 /nfs/dbraw/zinc/93/41/84/1126934184.db2.gz GNXTVFPHAXHLPB-GBESFXJTSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000380031666 1126934186 /nfs/dbraw/zinc/93/41/86/1126934186.db2.gz GNXTVFPHAXHLPB-GBESFXJTSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000380031666 1126934187 /nfs/dbraw/zinc/93/41/87/1126934187.db2.gz GNXTVFPHAXHLPB-GBESFXJTSA-N 2 1 334.454 3.876 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623429540 1126954322 /nfs/dbraw/zinc/95/43/22/1126954322.db2.gz IEXLPQVWYIEMDA-HOTGVXAUSA-N 2 1 335.923 3.771 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1Br ZINC000623546909 1126978405 /nfs/dbraw/zinc/97/84/05/1126978405.db2.gz ZMTWSLILMWKLDW-CQSZACIVSA-N 2 1 325.294 3.720 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1Br ZINC000623546909 1126978409 /nfs/dbraw/zinc/97/84/09/1126978409.db2.gz ZMTWSLILMWKLDW-CQSZACIVSA-N 2 1 325.294 3.720 20 0 EHADMP C[N@H+]1CCCC[C@H](CNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000623657146 1127005898 /nfs/dbraw/zinc/00/58/98/1127005898.db2.gz KMEHANODGZLRMB-MRXNPFEDSA-N 2 1 327.447 3.709 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000623657146 1127005901 /nfs/dbraw/zinc/00/59/01/1127005901.db2.gz KMEHANODGZLRMB-MRXNPFEDSA-N 2 1 327.447 3.709 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000623657146 1127005904 /nfs/dbraw/zinc/00/59/04/1127005904.db2.gz KMEHANODGZLRMB-MRXNPFEDSA-N 2 1 327.447 3.709 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121377 1127256542 /nfs/dbraw/zinc/25/65/42/1127256542.db2.gz UXGZBUFBLBRTHV-IAGOWNOFSA-N 2 1 346.519 3.599 20 0 EHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OCC ZINC000073381084 1127332286 /nfs/dbraw/zinc/33/22/86/1127332286.db2.gz JVXIIJJBIDBWOC-UHFFFAOYSA-N 2 1 346.515 3.981 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000183365926 1127374642 /nfs/dbraw/zinc/37/46/42/1127374642.db2.gz QYHMFYCQNWWYLS-TZMCWYRMSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000183365926 1127374647 /nfs/dbraw/zinc/37/46/47/1127374647.db2.gz QYHMFYCQNWWYLS-TZMCWYRMSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365926 1127374651 /nfs/dbraw/zinc/37/46/51/1127374651.db2.gz QYHMFYCQNWWYLS-TZMCWYRMSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365926 1127374656 /nfs/dbraw/zinc/37/46/56/1127374656.db2.gz QYHMFYCQNWWYLS-TZMCWYRMSA-N 2 1 348.384 3.681 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000368062182 1127413281 /nfs/dbraw/zinc/41/32/81/1127413281.db2.gz RCQCBLOPFVIOCJ-PMXSJFBMSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661573 1127429700 /nfs/dbraw/zinc/42/97/00/1127429700.db2.gz MLJUCXRXTAJLPC-FGTMMUONSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661573 1127429703 /nfs/dbraw/zinc/42/97/03/1127429703.db2.gz MLJUCXRXTAJLPC-FGTMMUONSA-N 2 1 343.515 3.565 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000417354892 1127447335 /nfs/dbraw/zinc/44/73/35/1127447335.db2.gz ABVSVLLFGAMHBV-ACRUOGEOSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000417354892 1127447336 /nfs/dbraw/zinc/44/73/36/1127447336.db2.gz ABVSVLLFGAMHBV-ACRUOGEOSA-N 2 1 330.516 3.743 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000382400064 1127508534 /nfs/dbraw/zinc/50/85/34/1127508534.db2.gz XHNNPLJGLDEEEG-ZDUSSCGKSA-N 2 1 343.334 3.962 20 0 EHADMP COCc1cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000764971244 1127558155 /nfs/dbraw/zinc/55/81/55/1127558155.db2.gz RHHGTRPNBSOIRR-FGTMMUONSA-N 2 1 348.531 3.860 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000765325960 1127597790 /nfs/dbraw/zinc/59/77/90/1127597790.db2.gz PZFXXMAHYDWLSA-UHFFFAOYSA-N 2 1 340.515 3.760 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000921528690 1127670487 /nfs/dbraw/zinc/67/04/87/1127670487.db2.gz HNMFZHMSOZFQJG-QGZVFWFLSA-N 2 1 344.478 3.517 20 0 EHADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001649096135 1128227957 /nfs/dbraw/zinc/22/79/57/1128227957.db2.gz NTDVZJJSFGTSDJ-FQEVSTJZSA-N 2 1 338.495 3.658 20 0 EHADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001649096135 1128227958 /nfs/dbraw/zinc/22/79/58/1128227958.db2.gz NTDVZJJSFGTSDJ-FQEVSTJZSA-N 2 1 338.495 3.658 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000069754429 1128291608 /nfs/dbraw/zinc/29/16/08/1128291608.db2.gz WJHGMKDHOUQQNF-UHFFFAOYSA-N 2 1 329.778 3.626 20 0 EHADMP COc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000903066400 1128454928 /nfs/dbraw/zinc/45/49/28/1128454928.db2.gz MDYXEZMDZIPCES-BBRMVZONSA-N 2 1 334.891 3.800 20 0 EHADMP COc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000903066400 1128454931 /nfs/dbraw/zinc/45/49/31/1128454931.db2.gz MDYXEZMDZIPCES-BBRMVZONSA-N 2 1 334.891 3.800 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000623657796 1128452715 /nfs/dbraw/zinc/45/27/15/1128452715.db2.gz ZFNWWTAHLLEWQW-AWEZNQCLSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000623657796 1128452716 /nfs/dbraw/zinc/45/27/16/1128452716.db2.gz ZFNWWTAHLLEWQW-AWEZNQCLSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623072 1128477667 /nfs/dbraw/zinc/47/76/67/1128477667.db2.gz RDVUBBLAGMVSKK-QZTJIDSGSA-N 2 1 338.923 3.862 20 0 EHADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623072 1128477670 /nfs/dbraw/zinc/47/76/70/1128477670.db2.gz RDVUBBLAGMVSKK-QZTJIDSGSA-N 2 1 338.923 3.862 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000475279006 1128711854 /nfs/dbraw/zinc/71/18/54/1128711854.db2.gz IRXYJLNEWCAIQT-AKIFATBCSA-N 2 1 349.522 3.823 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC001648828591 1120050779 /nfs/dbraw/zinc/05/07/79/1120050779.db2.gz KGGULYOYYFIZGD-LLVKDONJSA-N 2 1 331.685 3.534 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000542948618 1128896734 /nfs/dbraw/zinc/89/67/34/1128896734.db2.gz XJUMNOUVMSTBCF-INIZCTEOSA-N 2 1 326.525 3.551 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC001648921074 1120200247 /nfs/dbraw/zinc/20/02/47/1120200247.db2.gz OSPDDIAQIDQKCR-AWEZNQCLSA-N 2 1 348.384 3.588 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC001648921074 1120200250 /nfs/dbraw/zinc/20/02/50/1120200250.db2.gz OSPDDIAQIDQKCR-AWEZNQCLSA-N 2 1 348.384 3.588 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000310424709 1128910188 /nfs/dbraw/zinc/91/01/88/1128910188.db2.gz ZUTVFXHXTGVCJV-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186106445 1120443635 /nfs/dbraw/zinc/44/36/35/1120443635.db2.gz WHUNAFHQMLTAJU-OAQYLSRUSA-N 2 1 343.559 3.688 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494557289 1120594400 /nfs/dbraw/zinc/59/44/00/1120594400.db2.gz KGURCHALUQJEIV-IAGOWNOFSA-N 2 1 341.474 3.988 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)C1CCCCC1 ZINC000191034772 1120659172 /nfs/dbraw/zinc/65/91/72/1120659172.db2.gz CSTQNRMBMOCHSU-OAQYLSRUSA-N 2 1 345.531 3.561 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191132832 1120662167 /nfs/dbraw/zinc/66/21/67/1120662167.db2.gz BQOIQFYDVHEKJN-KRWDZBQOSA-N 2 1 328.504 3.945 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191132832 1120662170 /nfs/dbraw/zinc/66/21/70/1120662170.db2.gz BQOIQFYDVHEKJN-KRWDZBQOSA-N 2 1 328.504 3.945 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000191455096 1120674908 /nfs/dbraw/zinc/67/49/08/1120674908.db2.gz OTCGTLRGNHOEGB-KRWDZBQOSA-N 2 1 337.939 3.749 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000191551896 1120677502 /nfs/dbraw/zinc/67/75/02/1120677502.db2.gz DLRYVUWBYSIIJF-UHFFFAOYSA-N 2 1 331.548 3.703 20 0 EHADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000192750417 1120747099 /nfs/dbraw/zinc/74/70/99/1120747099.db2.gz CQBPPCMWSIPBMU-QUCCMNQESA-N 2 1 347.547 3.777 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCSC4)CC[C@H]32)cc1 ZINC000494994076 1120927900 /nfs/dbraw/zinc/92/79/00/1120927900.db2.gz JONDSFUJUXXEGL-VAMGGRTRSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCSC4)CC[C@H]32)cc1 ZINC000494994076 1120927904 /nfs/dbraw/zinc/92/79/04/1120927904.db2.gz JONDSFUJUXXEGL-VAMGGRTRSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCSC4)CC[C@H]32)cc1 ZINC000494994076 1120927912 /nfs/dbraw/zinc/92/79/12/1120927912.db2.gz JONDSFUJUXXEGL-VAMGGRTRSA-N 2 1 330.541 3.726 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000495148582 1120970582 /nfs/dbraw/zinc/97/05/82/1120970582.db2.gz OFHVNKORAFFORA-RXVVDRJESA-N 2 1 336.479 3.888 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)o1 ZINC000495186363 1120982856 /nfs/dbraw/zinc/98/28/56/1120982856.db2.gz XHIKAYQYFGRJKQ-DNVCBOLYSA-N 2 1 328.431 3.920 20 0 EHADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000495226211 1120992920 /nfs/dbraw/zinc/99/29/20/1120992920.db2.gz RSBOFRRUUUMUKI-FQEVSTJZSA-N 2 1 341.499 3.628 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000762077231 1121094490 /nfs/dbraw/zinc/09/44/90/1121094490.db2.gz POKQPDXKPWTCAX-UHFFFAOYSA-N 2 1 343.500 3.740 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000762077231 1121094498 /nfs/dbraw/zinc/09/44/98/1121094498.db2.gz POKQPDXKPWTCAX-UHFFFAOYSA-N 2 1 343.500 3.740 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000236828312 1121464419 /nfs/dbraw/zinc/46/44/19/1121464419.db2.gz WNXFBSRYOHYMMK-UHFFFAOYSA-N 2 1 340.471 3.512 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000282127255 1121859521 /nfs/dbraw/zinc/85/95/21/1121859521.db2.gz JWVOQTXWZDTRAZ-WMZOPIPTSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000282127255 1121859531 /nfs/dbraw/zinc/85/95/31/1121859531.db2.gz JWVOQTXWZDTRAZ-WMZOPIPTSA-N 2 1 340.515 3.954 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)c(C)c2)CC1 ZINC000125217489 1122309307 /nfs/dbraw/zinc/30/93/07/1122309307.db2.gz PFYPCVKXXWCIFS-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)c(C)c2)CC1 ZINC000125217489 1122309310 /nfs/dbraw/zinc/30/93/10/1122309310.db2.gz PFYPCVKXXWCIFS-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]CC3=CCCOC3)cc2)C1 ZINC000126526920 1122410896 /nfs/dbraw/zinc/41/08/96/1122410896.db2.gz FFBPBJVHUOYPTO-HDICACEKSA-N 2 1 328.500 3.601 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128985418 1122709890 /nfs/dbraw/zinc/70/98/90/1122709890.db2.gz BEQSJPQQMQQBQC-UYAOXDASSA-N 2 1 348.531 3.700 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128985418 1122709892 /nfs/dbraw/zinc/70/98/92/1122709892.db2.gz BEQSJPQQMQQBQC-UYAOXDASSA-N 2 1 348.531 3.700 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000556054398 1122796222 /nfs/dbraw/zinc/79/62/22/1122796222.db2.gz HHQURYPXDZBPCF-SIKLNZKXSA-N 2 1 348.494 3.852 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000556054398 1122796224 /nfs/dbraw/zinc/79/62/24/1122796224.db2.gz HHQURYPXDZBPCF-SIKLNZKXSA-N 2 1 348.494 3.852 20 0 EHADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000556063911 1122799601 /nfs/dbraw/zinc/79/96/01/1122799601.db2.gz NCTAKSFUSKKUMY-RQXATKFSSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000556232886 1122885635 /nfs/dbraw/zinc/88/56/35/1122885635.db2.gz LMJHSCISTKLELV-QCFAMHMHSA-N 2 1 342.527 3.549 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000130554610 1122964242 /nfs/dbraw/zinc/96/42/42/1122964242.db2.gz QMCMUQNVCRGJMU-HNNXBMFYSA-N 2 1 339.443 3.633 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000130554610 1122964244 /nfs/dbraw/zinc/96/42/44/1122964244.db2.gz QMCMUQNVCRGJMU-HNNXBMFYSA-N 2 1 339.443 3.633 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000130906883 1123020122 /nfs/dbraw/zinc/02/01/22/1123020122.db2.gz DPOSDPGCPHQTPG-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000130906883 1123020126 /nfs/dbraw/zinc/02/01/26/1123020126.db2.gz DPOSDPGCPHQTPG-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)c(F)c1 ZINC000131044099 1123033303 /nfs/dbraw/zinc/03/33/03/1123033303.db2.gz DSJXIBTZZJCAJE-LLVKDONJSA-N 2 1 341.268 3.866 20 0 EHADMP Cc1c(F)cc(Br)c(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236224788 1123138213 /nfs/dbraw/zinc/13/82/13/1123138213.db2.gz WTUCPTSIBOKMIC-XYPYZODXSA-N 2 1 347.247 3.737 20 0 EHADMP Cc1c(F)cc(Br)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236224788 1123138216 /nfs/dbraw/zinc/13/82/16/1123138216.db2.gz WTUCPTSIBOKMIC-XYPYZODXSA-N 2 1 347.247 3.737 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153868 1123253834 /nfs/dbraw/zinc/25/38/34/1123253834.db2.gz BACJHZAOQMQGBK-YUMYIRISSA-N 2 1 348.490 3.775 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250615 1123298513 /nfs/dbraw/zinc/29/85/13/1123298513.db2.gz CLNBWNTVUGENGU-UTKZUKDTSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250615 1123298514 /nfs/dbraw/zinc/29/85/14/1123298514.db2.gz CLNBWNTVUGENGU-UTKZUKDTSA-N 2 1 326.459 3.868 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137117106 1123751035 /nfs/dbraw/zinc/75/10/35/1123751035.db2.gz WCBNAXLRJBQAOO-CYBMUJFWSA-N 2 1 345.712 3.922 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)c1 ZINC000245538593 1123869854 /nfs/dbraw/zinc/86/98/54/1123869854.db2.gz JGFJWHABVDIZEZ-WIYYLYMNSA-N 2 1 330.516 3.726 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000138743268 1123996997 /nfs/dbraw/zinc/99/69/97/1123996997.db2.gz UACSTEZDEXAJNZ-UHFFFAOYSA-N 2 1 332.532 3.832 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246550748 1124508971 /nfs/dbraw/zinc/50/89/71/1124508971.db2.gz WPBFQDUMWKFBGQ-LTIDMASMSA-N 2 1 336.545 3.742 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)C1 ZINC000246821769 1124552323 /nfs/dbraw/zinc/55/23/23/1124552323.db2.gz BFMRQOZCJPENGV-NEPJUHHUSA-N 2 1 332.822 3.934 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)C1 ZINC000246821769 1124552327 /nfs/dbraw/zinc/55/23/27/1124552327.db2.gz BFMRQOZCJPENGV-NEPJUHHUSA-N 2 1 332.822 3.934 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893539 1124564778 /nfs/dbraw/zinc/56/47/78/1124564778.db2.gz DXAZWLZBBKCKBA-UYAOXDASSA-N 2 1 340.515 3.702 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893539 1124564783 /nfs/dbraw/zinc/56/47/83/1124564783.db2.gz DXAZWLZBBKCKBA-UYAOXDASSA-N 2 1 340.515 3.702 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000247076575 1124585289 /nfs/dbraw/zinc/58/52/89/1124585289.db2.gz NIJGBBVHKUEODP-BFHYXJOUSA-N 2 1 340.895 3.881 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000247082703 1124587688 /nfs/dbraw/zinc/58/76/88/1124587688.db2.gz RBIYFIUAWZJCAA-XQBPLPMBSA-N 3 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)CC1 ZINC000247082703 1124587693 /nfs/dbraw/zinc/58/76/93/1124587693.db2.gz RBIYFIUAWZJCAA-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000247082703 1124587696 /nfs/dbraw/zinc/58/76/96/1124587696.db2.gz RBIYFIUAWZJCAA-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)c2)CC1 ZINC000247082703 1124587702 /nfs/dbraw/zinc/58/77/02/1124587702.db2.gz RBIYFIUAWZJCAA-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc2)c1 ZINC000248158633 1124643256 /nfs/dbraw/zinc/64/32/56/1124643256.db2.gz RTHUOUYADKPXRN-DENIHFKCSA-N 2 1 338.495 3.910 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248447565 1124664275 /nfs/dbraw/zinc/66/42/75/1124664275.db2.gz NLGVKBOGIFDJQI-VGOFRKELSA-N 2 1 338.495 3.666 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089614279 1124827530 /nfs/dbraw/zinc/82/75/30/1124827530.db2.gz DJERIDGMNUWBRS-LPHOPBHVSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089614279 1124827540 /nfs/dbraw/zinc/82/75/40/1124827540.db2.gz DJERIDGMNUWBRS-LPHOPBHVSA-N 2 1 335.923 3.503 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)CC1 ZINC000449074210 1124940250 /nfs/dbraw/zinc/94/02/50/1124940250.db2.gz UBHSITKFYIOVAT-UHFFFAOYSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449073825 1124940687 /nfs/dbraw/zinc/94/06/87/1124940687.db2.gz AHKGCMJFRSWDQJ-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449073825 1124940692 /nfs/dbraw/zinc/94/06/92/1124940692.db2.gz AHKGCMJFRSWDQJ-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449081182 1124943118 /nfs/dbraw/zinc/94/31/18/1124943118.db2.gz CIOLPPHLQAOSSP-IRXDYDNUSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644899 1125281404 /nfs/dbraw/zinc/28/14/04/1125281404.db2.gz GLYKYLSCYZTKRN-CKEIUWERSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644899 1125281405 /nfs/dbraw/zinc/28/14/05/1125281405.db2.gz GLYKYLSCYZTKRN-CKEIUWERSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644899 1125281407 /nfs/dbraw/zinc/28/14/07/1125281407.db2.gz GLYKYLSCYZTKRN-CKEIUWERSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644899 1125281409 /nfs/dbraw/zinc/28/14/09/1125281409.db2.gz GLYKYLSCYZTKRN-CKEIUWERSA-N 2 1 339.321 3.967 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000067667121 1129295721 /nfs/dbraw/zinc/29/57/21/1129295721.db2.gz QXZTVVSBQYDSJE-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000358916678 1129427710 /nfs/dbraw/zinc/42/77/10/1129427710.db2.gz SUGSFZVGVDQQTM-APWZRJJASA-N 2 1 346.515 3.793 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499908563 1129565353 /nfs/dbraw/zinc/56/53/53/1129565353.db2.gz JJRRWCJWBILDAJ-AWEZNQCLSA-N 2 1 325.294 3.928 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499908563 1129565355 /nfs/dbraw/zinc/56/53/55/1129565355.db2.gz JJRRWCJWBILDAJ-AWEZNQCLSA-N 2 1 325.294 3.928 20 0 EHADMP Cn1cncc1CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000347732007 1129663843 /nfs/dbraw/zinc/66/38/43/1129663843.db2.gz DCFAVAZCSHFERB-INIZCTEOSA-N 2 1 334.261 3.562 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000282381330 1129672707 /nfs/dbraw/zinc/67/27/07/1129672707.db2.gz XACQZSBBCOUJAH-PMXSJFBMSA-N 2 1 330.516 3.834 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000282381330 1129672708 /nfs/dbraw/zinc/67/27/08/1129672708.db2.gz XACQZSBBCOUJAH-PMXSJFBMSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000429011133 1129692907 /nfs/dbraw/zinc/69/29/07/1129692907.db2.gz SCPMTZMEHCCUHA-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000429011133 1129692909 /nfs/dbraw/zinc/69/29/09/1129692909.db2.gz SCPMTZMEHCCUHA-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000429011133 1129692910 /nfs/dbraw/zinc/69/29/10/1129692910.db2.gz SCPMTZMEHCCUHA-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436816 1129712124 /nfs/dbraw/zinc/71/21/24/1129712124.db2.gz JMBYTPBKYHMVNP-AVRDEDQJSA-N 2 1 338.470 3.967 20 0 EHADMP CCO[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402072 1129857687 /nfs/dbraw/zinc/85/76/87/1129857687.db2.gz CKRZOQRUYGASDB-QFBILLFUSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402072 1129857689 /nfs/dbraw/zinc/85/76/89/1129857689.db2.gz CKRZOQRUYGASDB-QFBILLFUSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402072 1129857692 /nfs/dbraw/zinc/85/76/92/1129857692.db2.gz CKRZOQRUYGASDB-QFBILLFUSA-N 2 1 336.545 3.625 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658138804 1130191963 /nfs/dbraw/zinc/19/19/63/1130191963.db2.gz OIBJJFRPMFNPJB-LEWJYISDSA-N 2 1 342.458 3.633 20 0 EHADMP OCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766129876 1130370498 /nfs/dbraw/zinc/37/04/98/1130370498.db2.gz XRHCURBZRNTYRD-FGZHOGPDSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766129876 1130370505 /nfs/dbraw/zinc/37/05/05/1130370505.db2.gz XRHCURBZRNTYRD-FGZHOGPDSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766129876 1130370508 /nfs/dbraw/zinc/37/05/08/1130370508.db2.gz XRHCURBZRNTYRD-FGZHOGPDSA-N 2 1 344.543 3.916 20 0 EHADMP CCOc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000675641773 1130436847 /nfs/dbraw/zinc/43/68/47/1130436847.db2.gz VQIBIVPVKDIIGS-GOSISDBHSA-N 2 1 345.531 3.957 20 0 EHADMP COc1ccc2c(c1)OCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000675902877 1130505887 /nfs/dbraw/zinc/50/58/87/1130505887.db2.gz KAJAQJPPZHFGPN-HXUWFJFHSA-N 2 1 344.499 3.906 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000675965214 1130510964 /nfs/dbraw/zinc/51/09/64/1130510964.db2.gz QTVYOIFYZNZEJP-LJQANCHMSA-N 2 1 345.531 3.604 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000675965214 1130510971 /nfs/dbraw/zinc/51/09/71/1130510971.db2.gz QTVYOIFYZNZEJP-LJQANCHMSA-N 2 1 345.531 3.604 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000675965214 1130510974 /nfs/dbraw/zinc/51/09/74/1130510974.db2.gz QTVYOIFYZNZEJP-LJQANCHMSA-N 2 1 345.531 3.604 20 0 EHADMP C[C@@H](c1ccccc1Br)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312294 1131468298 /nfs/dbraw/zinc/46/82/98/1131468298.db2.gz OTEQDFNFZJQAMQ-ZDUSSCGKSA-N 2 1 325.294 3.784 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885047 1131554228 /nfs/dbraw/zinc/55/42/28/1131554228.db2.gz YKHBLPNOHOJNAH-MAUKXSAKSA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885047 1131554231 /nfs/dbraw/zinc/55/42/31/1131554231.db2.gz YKHBLPNOHOJNAH-MAUKXSAKSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885047 1131554237 /nfs/dbraw/zinc/55/42/37/1131554237.db2.gz YKHBLPNOHOJNAH-MAUKXSAKSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885047 1131554240 /nfs/dbraw/zinc/55/42/40/1131554240.db2.gz YKHBLPNOHOJNAH-MAUKXSAKSA-N 2 1 342.483 3.714 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000179928480 1131603001 /nfs/dbraw/zinc/60/30/01/1131603001.db2.gz MQJVUKVXCOIQKI-APWZRJJASA-N 2 1 326.488 3.949 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000179928480 1131603004 /nfs/dbraw/zinc/60/30/04/1131603004.db2.gz MQJVUKVXCOIQKI-APWZRJJASA-N 2 1 326.488 3.949 20 0 EHADMP CC(C)COCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172467622 1131754598 /nfs/dbraw/zinc/75/45/98/1131754598.db2.gz RYEBYSOLWGDTAE-KURKYZTESA-N 2 1 336.545 3.563 20 0 EHADMP CC(C)COCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172467622 1131754605 /nfs/dbraw/zinc/75/46/05/1131754605.db2.gz RYEBYSOLWGDTAE-KURKYZTESA-N 2 1 336.545 3.563 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172467622 1131754611 /nfs/dbraw/zinc/75/46/11/1131754611.db2.gz RYEBYSOLWGDTAE-KURKYZTESA-N 2 1 336.545 3.563 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172467622 1131754614 /nfs/dbraw/zinc/75/46/14/1131754614.db2.gz RYEBYSOLWGDTAE-KURKYZTESA-N 2 1 336.545 3.563 20 0 EHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172544316 1131782758 /nfs/dbraw/zinc/78/27/58/1131782758.db2.gz STBNCMYWFJMBOO-WOJBJXKFSA-N 2 1 346.515 3.530 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001204090901 1131792729 /nfs/dbraw/zinc/79/27/29/1131792729.db2.gz YVXRBOQICDCJRV-NILFDRSVSA-N 2 1 332.797 3.789 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172751369 1131831747 /nfs/dbraw/zinc/83/17/47/1131831747.db2.gz WCORNQYNWSSTCN-QWFCFKBJSA-N 2 1 346.515 3.607 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172751369 1131831756 /nfs/dbraw/zinc/83/17/56/1131831756.db2.gz WCORNQYNWSSTCN-QWFCFKBJSA-N 2 1 346.515 3.607 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C2CCOCC2)CC1 ZINC001172712892 1131835449 /nfs/dbraw/zinc/83/54/49/1131835449.db2.gz QLUSIVFUIJGSSG-BJLQDIEVSA-N 2 1 348.918 3.558 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172826937 1131853150 /nfs/dbraw/zinc/85/31/50/1131853150.db2.gz YDJJWKCPUFNNEN-REWPJTCUSA-N 2 1 334.507 3.964 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001172925279 1131906714 /nfs/dbraw/zinc/90/67/14/1131906714.db2.gz DRDWLMMZBPNJIX-QKIJFTERSA-N 2 1 348.490 3.521 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001172936400 1131911138 /nfs/dbraw/zinc/91/11/38/1131911138.db2.gz XGLGPHZXSWOOOW-BVOGOJNSSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001172938066 1131911279 /nfs/dbraw/zinc/91/12/79/1131911279.db2.gz JMVNGCLXZKWACK-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001172936405 1131911463 /nfs/dbraw/zinc/91/14/63/1131911463.db2.gz XGLGPHZXSWOOOW-HZEGPAAWSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949444 1131926499 /nfs/dbraw/zinc/92/64/99/1131926499.db2.gz KCISYLDKIIVGDL-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949444 1131926508 /nfs/dbraw/zinc/92/65/08/1131926508.db2.gz KCISYLDKIIVGDL-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001173083144 1131961280 /nfs/dbraw/zinc/96/12/80/1131961280.db2.gz NKBQOIFDMWMLKX-OAHLLOKOSA-N 2 1 344.421 3.934 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C2(c3ccccc3Cl)COC2)CC1 ZINC001173107102 1131967595 /nfs/dbraw/zinc/96/75/95/1131967595.db2.gz JVXSENQYVLUNOF-UHFFFAOYSA-N 2 1 336.907 3.808 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC001173112366 1131970066 /nfs/dbraw/zinc/97/00/66/1131970066.db2.gz WILUACMAWTWRSU-XVAXZDLZSA-N 2 1 329.532 3.628 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncsc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001173126278 1131974842 /nfs/dbraw/zinc/97/48/42/1131974842.db2.gz MUQMIZAYERJUEV-NJAFHUGGSA-N 2 1 341.524 3.643 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncsc3C2)CC[N@H+]1Cc1ccccc1 ZINC001173126278 1131974847 /nfs/dbraw/zinc/97/48/47/1131974847.db2.gz MUQMIZAYERJUEV-NJAFHUGGSA-N 2 1 341.524 3.643 20 0 EHADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174137 1131990771 /nfs/dbraw/zinc/99/07/71/1131990771.db2.gz IGWJJYCTLSCMRL-SESVDKBCSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174137 1131990774 /nfs/dbraw/zinc/99/07/74/1131990774.db2.gz IGWJJYCTLSCMRL-SESVDKBCSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174137 1131990778 /nfs/dbraw/zinc/99/07/78/1131990778.db2.gz IGWJJYCTLSCMRL-SESVDKBCSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279013 1132039613 /nfs/dbraw/zinc/03/96/13/1132039613.db2.gz OAIOALXQEIRADQ-MJCUULBUSA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279013 1132039618 /nfs/dbraw/zinc/03/96/18/1132039618.db2.gz OAIOALXQEIRADQ-MJCUULBUSA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)C1 ZINC001173279013 1132039623 /nfs/dbraw/zinc/03/96/23/1132039623.db2.gz OAIOALXQEIRADQ-MJCUULBUSA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1 ZINC001173279013 1132039629 /nfs/dbraw/zinc/03/96/29/1132039629.db2.gz OAIOALXQEIRADQ-MJCUULBUSA-N 2 1 344.547 3.635 20 0 EHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173718624 1132135946 /nfs/dbraw/zinc/13/59/46/1132135946.db2.gz BONLEAPIEIGDSI-VDGAXYAQSA-N 2 1 346.515 3.632 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205991731 1132534253 /nfs/dbraw/zinc/53/42/53/1132534253.db2.gz BTAFZRDQKJUTJE-NWDGAFQWSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000766531960 1132598465 /nfs/dbraw/zinc/59/84/65/1132598465.db2.gz ROLQIVLEVMTWMJ-IERDGZPVSA-N 2 1 341.499 3.724 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766531960 1132598469 /nfs/dbraw/zinc/59/84/69/1132598469.db2.gz ROLQIVLEVMTWMJ-IERDGZPVSA-N 2 1 341.499 3.724 20 0 EHADMP C[C@H]([NH2+]C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064940 1132649925 /nfs/dbraw/zinc/64/99/25/1132649925.db2.gz CQABOKGHXZJDFV-AVRDEDQJSA-N 2 1 348.494 3.976 20 0 EHADMP C[C@H]([NH2+]C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064940 1132649931 /nfs/dbraw/zinc/64/99/31/1132649931.db2.gz CQABOKGHXZJDFV-AVRDEDQJSA-N 2 1 348.494 3.976 20 0 EHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001169068516 1132651165 /nfs/dbraw/zinc/65/11/65/1132651165.db2.gz OVGGUIDKQMTABS-FGZHOGPDSA-N 2 1 344.543 3.734 20 0 EHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001169068516 1132651168 /nfs/dbraw/zinc/65/11/68/1132651168.db2.gz OVGGUIDKQMTABS-FGZHOGPDSA-N 2 1 344.543 3.734 20 0 EHADMP COc1ccccc1CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169119801 1132663382 /nfs/dbraw/zinc/66/33/82/1132663382.db2.gz WHUVONMOSIDVJM-LDLYASANSA-N 2 1 328.500 3.623 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3cccc(Br)c3)CC1)C2 ZINC001169107821 1132669841 /nfs/dbraw/zinc/66/98/41/1132669841.db2.gz KRDWQWFGQJKAQY-BJWYYQGGSA-N 2 1 349.316 3.696 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444650 1132672484 /nfs/dbraw/zinc/67/24/84/1132672484.db2.gz LTNZAFYXFNWIQN-YLJYHZDGSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444650 1132672489 /nfs/dbraw/zinc/67/24/89/1132672489.db2.gz LTNZAFYXFNWIQN-YLJYHZDGSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444650 1132672492 /nfs/dbraw/zinc/67/24/92/1132672492.db2.gz LTNZAFYXFNWIQN-YLJYHZDGSA-N 2 1 330.516 3.779 20 0 EHADMP CCOc1ccc(NC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169152698 1132679200 /nfs/dbraw/zinc/67/92/00/1132679200.db2.gz CUMFXGHKMHNERH-ACDBMABISA-N 2 1 343.515 3.587 20 0 EHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169163467 1132684894 /nfs/dbraw/zinc/68/48/94/1132684894.db2.gz ZQQMRUJBLUBOGM-BJWYYQGGSA-N 2 1 326.406 3.805 20 0 EHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169163467 1132684897 /nfs/dbraw/zinc/68/48/97/1132684897.db2.gz ZQQMRUJBLUBOGM-BJWYYQGGSA-N 2 1 326.406 3.805 20 0 EHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169163467 1132684902 /nfs/dbraw/zinc/68/49/02/1132684902.db2.gz ZQQMRUJBLUBOGM-BJWYYQGGSA-N 2 1 326.406 3.805 20 0 EHADMP C[C@@H](CO)[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC001169291699 1132718739 /nfs/dbraw/zinc/71/87/39/1132718739.db2.gz BTEFUKHIRAGGPD-SFHVURJKSA-N 2 1 330.516 3.798 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206012464 1132777477 /nfs/dbraw/zinc/77/74/77/1132777477.db2.gz LVLWUSPGZUMDFY-CHWSQXEVSA-N 2 1 343.284 3.703 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001206292883 1133029802 /nfs/dbraw/zinc/02/98/02/1133029802.db2.gz FKCKVJLYZAHORP-QGZVFWFLSA-N 2 1 339.321 3.833 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295690 1133037909 /nfs/dbraw/zinc/03/79/09/1133037909.db2.gz MZKDCZYEQZVFRQ-IBGZPJMESA-N 2 1 326.525 3.731 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn3ccccc3n2)C1 ZINC001177257238 1133046800 /nfs/dbraw/zinc/04/68/00/1133046800.db2.gz SMHHRSSDGAYCNV-SFHVURJKSA-N 2 1 348.494 3.856 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn3ccccc3n2)C1 ZINC001177257238 1133046806 /nfs/dbraw/zinc/04/68/06/1133046806.db2.gz SMHHRSSDGAYCNV-SFHVURJKSA-N 2 1 348.494 3.856 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177795208 1133103363 /nfs/dbraw/zinc/10/33/63/1133103363.db2.gz PLJDNSVGGQQFSP-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001177795208 1133103365 /nfs/dbraw/zinc/10/33/65/1133103365.db2.gz PLJDNSVGGQQFSP-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001177795208 1133103369 /nfs/dbraw/zinc/10/33/69/1133103369.db2.gz PLJDNSVGGQQFSP-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001177795208 1133103374 /nfs/dbraw/zinc/10/33/74/1133103374.db2.gz PLJDNSVGGQQFSP-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3C)cc2)C[C@H]1C ZINC001178350504 1133158411 /nfs/dbraw/zinc/15/84/11/1133158411.db2.gz GNIAZPKXQPUBTH-PSHVLCQKSA-N 2 1 344.543 3.974 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3ccccc32)C1 ZINC001178463028 1133171067 /nfs/dbraw/zinc/17/10/67/1133171067.db2.gz LJLLHVIXSSHMJA-JOCHJYFZSA-N 2 1 346.474 3.696 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001179228486 1133237161 /nfs/dbraw/zinc/23/71/61/1133237161.db2.gz KCIBMOGHSSIDOS-QRVBRYPASA-N 2 1 330.491 3.858 20 0 EHADMP CC[NH+]1CCC(C[N@@H+](CCc2ccc(C)cc2)C[C@@H]2CCCO2)CC1 ZINC001179877160 1133297247 /nfs/dbraw/zinc/29/72/47/1133297247.db2.gz AGRJBMLXQYSPPL-QFIPXVFZSA-N 2 1 344.543 3.750 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(CC2CCC2)c1 ZINC001179926281 1133300487 /nfs/dbraw/zinc/30/04/87/1133300487.db2.gz WQNXXXZQBJVZFM-VSKRKVRLSA-N 2 1 342.527 3.713 20 0 EHADMP COC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC001179919923 1133307219 /nfs/dbraw/zinc/30/72/19/1133307219.db2.gz QJHBUEYFLJKOPY-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC001179919923 1133307223 /nfs/dbraw/zinc/30/72/23/1133307223.db2.gz QJHBUEYFLJKOPY-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H](C[C@@H](C)[NH2+]CC[N@H+](C)C1CCCCC1)NC(=O)OC(C)(C)C ZINC000769694847 1133330739 /nfs/dbraw/zinc/33/07/39/1133330739.db2.gz KWWCZBUCLQHIBO-HZPDHXFCSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@H](C[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1)NC(=O)OC(C)(C)C ZINC000769694847 1133330744 /nfs/dbraw/zinc/33/07/44/1133330744.db2.gz KWWCZBUCLQHIBO-HZPDHXFCSA-N 2 1 341.540 3.532 20 0 EHADMP CC(C)[PH+](CCNC(=O)CC[N@@H+](C)Cc1ccccc1)C(C)C ZINC001181141058 1133458864 /nfs/dbraw/zinc/45/88/64/1133458864.db2.gz DYKLDLBZZQKORX-UHFFFAOYSA-N 2 1 336.460 3.923 20 0 EHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC001181296907 1133475781 /nfs/dbraw/zinc/47/57/81/1133475781.db2.gz GJYSYGUIMWZEJX-IEBWSBKVSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296907 1133475783 /nfs/dbraw/zinc/47/57/83/1133475783.db2.gz GJYSYGUIMWZEJX-IEBWSBKVSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296907 1133475784 /nfs/dbraw/zinc/47/57/84/1133475784.db2.gz GJYSYGUIMWZEJX-IEBWSBKVSA-N 2 1 332.451 3.954 20 0 EHADMP CCC[C@@H](C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1)OC ZINC001181505488 1133495307 /nfs/dbraw/zinc/49/53/07/1133495307.db2.gz HJNPTLSFYVHGOV-SFHVURJKSA-N 2 1 335.879 3.854 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534023 1133498520 /nfs/dbraw/zinc/49/85/20/1133498520.db2.gz DXWWFGIHJBDWHP-AZUAARDMSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534023 1133498521 /nfs/dbraw/zinc/49/85/21/1133498521.db2.gz DXWWFGIHJBDWHP-AZUAARDMSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534023 1133498524 /nfs/dbraw/zinc/49/85/24/1133498524.db2.gz DXWWFGIHJBDWHP-AZUAARDMSA-N 2 1 337.467 3.790 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccccc2F)CC1)CC1CC1 ZINC000771474766 1133559728 /nfs/dbraw/zinc/55/97/28/1133559728.db2.gz GEVSPFUSKGGNGD-NRFANRHFSA-N 2 1 348.506 3.693 20 0 EHADMP CC1(C)CCC[N@H+]1CCN[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC001182309126 1133625356 /nfs/dbraw/zinc/62/53/56/1133625356.db2.gz NJYOCDNJCMXXHW-HBMCJLEFSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001182309126 1133625359 /nfs/dbraw/zinc/62/53/59/1133625359.db2.gz NJYOCDNJCMXXHW-HBMCJLEFSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001182309126 1133625364 /nfs/dbraw/zinc/62/53/64/1133625364.db2.gz NJYOCDNJCMXXHW-HBMCJLEFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2Br)CCC[C@H]1C[NH3+] ZINC001206037449 1134338184 /nfs/dbraw/zinc/33/81/84/1134338184.db2.gz VQPUBVFTMRTOJQ-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001170134499 1134409530 /nfs/dbraw/zinc/40/95/30/1134409530.db2.gz BKDUFTUNRPJFJU-HKUYNNGSSA-N 2 1 327.516 3.947 20 0 EHADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190893 1134702667 /nfs/dbraw/zinc/70/26/67/1134702667.db2.gz GIFDGMPGNKIPNK-WTGUMLROSA-N 2 1 334.479 3.855 20 0 EHADMP c1ccc2c(c1)CCN2CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001190827939 1134755929 /nfs/dbraw/zinc/75/59/29/1134755929.db2.gz RLWONGCQTZABTH-FQEVSTJZSA-N 2 1 341.543 3.637 20 0 EHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001205582599 1134973338 /nfs/dbraw/zinc/97/33/38/1134973338.db2.gz XUAFBNJPSKFQHW-OAHLLOKOSA-N 2 1 327.856 3.603 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001192326655 1134999395 /nfs/dbraw/zinc/99/93/95/1134999395.db2.gz WILKZUPDGWNRAG-UHFFFAOYSA-N 2 1 332.532 3.874 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205601399 1135023674 /nfs/dbraw/zinc/02/36/74/1135023674.db2.gz FDMFBZHQLDJIJI-ZWKOTPCHSA-N 2 1 326.525 3.587 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1Br ZINC001205617545 1135085256 /nfs/dbraw/zinc/08/52/56/1135085256.db2.gz KOQNODQQXPDCEJ-WFASDCNBSA-N 2 1 325.294 3.564 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205626827 1135117297 /nfs/dbraw/zinc/11/72/97/1135117297.db2.gz JPTZCXPAVULXRY-WCQYABFASA-N 2 1 343.284 3.703 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205638102 1135153949 /nfs/dbraw/zinc/15/39/49/1135153949.db2.gz LJIJJTHKBBHRQE-WDEREUQCSA-N 2 1 335.801 3.561 20 0 EHADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000806129064 1135395405 /nfs/dbraw/zinc/39/54/05/1135395405.db2.gz RZKPFOGORREZRK-GOSISDBHSA-N 2 1 341.886 3.977 20 0 EHADMP c1ccc2cc(CC[N@H+]3CCCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC001195535424 1135437262 /nfs/dbraw/zinc/43/72/62/1135437262.db2.gz JMBXXHKMVHEPGI-UHFFFAOYSA-N 2 1 331.463 3.990 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1CN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001197798010 1135738313 /nfs/dbraw/zinc/73/83/13/1135738313.db2.gz KHYMMSHZPVECCF-GOSISDBHSA-N 2 1 338.499 3.629 20 0 EHADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(-c2ccccc2)n1 ZINC000809739173 1135883088 /nfs/dbraw/zinc/88/30/88/1135883088.db2.gz ZXOVEMJJIBYKDE-UHFFFAOYSA-N 2 1 348.494 3.781 20 0 EHADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc(C(F)(F)F)c1 ZINC001199583179 1135915087 /nfs/dbraw/zinc/91/50/87/1135915087.db2.gz VBOFIEARIXERFB-CQSZACIVSA-N 2 1 344.421 3.926 20 0 EHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCCOC1 ZINC000780739604 1135932721 /nfs/dbraw/zinc/93/27/21/1135932721.db2.gz KLDNBVWNZYNCJR-IEBWSBKVSA-N 2 1 345.531 3.692 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(C)cc1Br ZINC001205915506 1136004522 /nfs/dbraw/zinc/00/45/22/1136004522.db2.gz PLZUQYAFGNAMKE-UONOGXRCSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(C)cc1Br ZINC001205915506 1136004525 /nfs/dbraw/zinc/00/45/25/1136004525.db2.gz PLZUQYAFGNAMKE-UONOGXRCSA-N 2 1 325.294 3.625 20 0 EHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)cc1 ZINC001201415926 1136017404 /nfs/dbraw/zinc/01/74/04/1136017404.db2.gz IJNBXFICHTWGGU-HXUWFJFHSA-N 2 1 340.511 3.710 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202394831 1136141905 /nfs/dbraw/zinc/14/19/05/1136141905.db2.gz JZWHRBZVKCQHHZ-IRXDYDNUSA-N 2 1 326.406 3.701 20 0 EHADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc[nH+]cc1C(F)(F)F ZINC001170683352 1136235379 /nfs/dbraw/zinc/23/53/79/1136235379.db2.gz ZHEVRMOQUKIPFF-NSHDSACASA-N 2 1 332.329 3.973 20 0 EHADMP COc1ccc([C@@H](C)NC[C@H](C)C[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000813876963 1136371579 /nfs/dbraw/zinc/37/15/79/1136371579.db2.gz FPAPTFRLVABPJJ-ZWKOTPCHSA-N 2 1 347.547 3.529 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000813880963 1136372925 /nfs/dbraw/zinc/37/29/25/1136372925.db2.gz JYPPGLHRNJWRNB-VZHSDHNVSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000851799504 1136408076 /nfs/dbraw/zinc/40/80/76/1136408076.db2.gz RZNGHGSTLZXOJD-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000851799504 1136408078 /nfs/dbraw/zinc/40/80/78/1136408078.db2.gz RZNGHGSTLZXOJD-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000851799504 1136408080 /nfs/dbraw/zinc/40/80/80/1136408080.db2.gz RZNGHGSTLZXOJD-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@H+](CC=C(Cl)Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000851889463 1136416123 /nfs/dbraw/zinc/41/61/23/1136416123.db2.gz JQPIIQZKIIZQQI-UHFFFAOYSA-N 2 1 328.287 3.939 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)C[C@@H]1C ZINC000815057654 1136541745 /nfs/dbraw/zinc/54/17/45/1136541745.db2.gz WOAVSXFMGNTMGO-MDKPJZGXSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@@H]1C ZINC000815057654 1136541747 /nfs/dbraw/zinc/54/17/47/1136541747.db2.gz WOAVSXFMGNTMGO-MDKPJZGXSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@@H]1C ZINC000815057654 1136541748 /nfs/dbraw/zinc/54/17/48/1136541748.db2.gz WOAVSXFMGNTMGO-MDKPJZGXSA-N 2 1 326.484 3.678 20 0 EHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCCOCC2)CC3)c1 ZINC001170811377 1136670550 /nfs/dbraw/zinc/67/05/50/1136670550.db2.gz LBCIPLWBNQEOGJ-KRWDZBQOSA-N 2 1 334.529 3.605 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC000776802299 1136685588 /nfs/dbraw/zinc/68/55/88/1136685588.db2.gz FFXQKIOXMOOXTB-GHTZIAJQSA-N 2 1 345.531 3.836 20 0 EHADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCCCC1 ZINC001135793909 1136771374 /nfs/dbraw/zinc/77/13/74/1136771374.db2.gz RRBVBUKBHHOBQG-IBGZPJMESA-N 2 1 349.563 3.554 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000429533637 1136788127 /nfs/dbraw/zinc/78/81/27/1136788127.db2.gz HHANJAKVEFQVJC-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000429533637 1136788129 /nfs/dbraw/zinc/78/81/29/1136788129.db2.gz HHANJAKVEFQVJC-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCC[C@@H](C)C3)C2)ccn1 ZINC000856551310 1136793922 /nfs/dbraw/zinc/79/39/22/1136793922.db2.gz PEEBXFVZBICHGG-LVCYWYKZSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC[C@@H](C)C3)C2)ccn1 ZINC000856551310 1136793924 /nfs/dbraw/zinc/79/39/24/1136793924.db2.gz PEEBXFVZBICHGG-LVCYWYKZSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC[C@@H](C)C3)C2)ccn1 ZINC000856551310 1136793926 /nfs/dbraw/zinc/79/39/26/1136793926.db2.gz PEEBXFVZBICHGG-LVCYWYKZSA-N 2 1 345.531 3.813 20 0 EHADMP CC/C=C/CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604833 1136798150 /nfs/dbraw/zinc/79/81/50/1136798150.db2.gz RWLXHAMWUPUEIN-YJJPMGAVSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C/CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604833 1136798152 /nfs/dbraw/zinc/79/81/52/1136798152.db2.gz RWLXHAMWUPUEIN-YJJPMGAVSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C/CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604833 1136798155 /nfs/dbraw/zinc/79/81/55/1136798155.db2.gz RWLXHAMWUPUEIN-YJJPMGAVSA-N 2 1 331.504 3.731 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3CCCC3)C2)ccn1 ZINC000856600042 1136798241 /nfs/dbraw/zinc/79/82/41/1136798241.db2.gz PYICGJZTGVEFIK-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3CCCC3)C2)ccn1 ZINC000856600042 1136798243 /nfs/dbraw/zinc/79/82/43/1136798243.db2.gz PYICGJZTGVEFIK-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC3CCCC3)C2)ccn1 ZINC000856600042 1136798245 /nfs/dbraw/zinc/79/82/45/1136798245.db2.gz PYICGJZTGVEFIK-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3CCC3)C2)ccn1 ZINC000856605707 1136799032 /nfs/dbraw/zinc/79/90/32/1136799032.db2.gz DOJIQENWZQGEHF-FQEVSTJZSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3CCC3)C2)ccn1 ZINC000856605707 1136799035 /nfs/dbraw/zinc/79/90/35/1136799035.db2.gz DOJIQENWZQGEHF-FQEVSTJZSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC3CCC3)C2)ccn1 ZINC000856605707 1136799038 /nfs/dbraw/zinc/79/90/38/1136799038.db2.gz DOJIQENWZQGEHF-FQEVSTJZSA-N 2 1 331.504 3.565 20 0 EHADMP Cc1cc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cn2cc[nH+]c12 ZINC000857272729 1136858836 /nfs/dbraw/zinc/85/88/36/1136858836.db2.gz PCCWXEOYDHAWCN-SFHVURJKSA-N 2 1 348.450 3.704 20 0 EHADMP Cc1cc(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cn2cc[nH+]c12 ZINC000857272729 1136858839 /nfs/dbraw/zinc/85/88/39/1136858839.db2.gz PCCWXEOYDHAWCN-SFHVURJKSA-N 2 1 348.450 3.704 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982445 1136896400 /nfs/dbraw/zinc/89/64/00/1136896400.db2.gz MLMAQIXZABZNKC-IRLDBZIGSA-N 2 1 338.495 3.530 20 0 EHADMP CC(C)CC[C@@H](O)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000819444626 1136940107 /nfs/dbraw/zinc/94/01/07/1136940107.db2.gz IZKVAMIAWIPRFA-OAQYLSRUSA-N 2 1 347.547 3.674 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)[C@H]2CCC[C@H]21 ZINC000858537027 1136976957 /nfs/dbraw/zinc/97/69/57/1136976957.db2.gz ARCVHAWTFDBALM-IXDOHACOSA-N 2 1 333.426 3.999 20 0 EHADMP CC(C)(CO)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820820985 1137005976 /nfs/dbraw/zinc/00/59/76/1137005976.db2.gz CCIGBVINDAOGGS-KRIYCRJKSA-N 2 1 342.527 3.536 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664622 1137068778 /nfs/dbraw/zinc/06/87/78/1137068778.db2.gz UXZHLQJJFGUSCJ-SUYBPPKGSA-N 2 1 345.314 3.831 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664622 1137068779 /nfs/dbraw/zinc/06/87/79/1137068779.db2.gz UXZHLQJJFGUSCJ-SUYBPPKGSA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664622 1137068781 /nfs/dbraw/zinc/06/87/81/1137068781.db2.gz UXZHLQJJFGUSCJ-SUYBPPKGSA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664622 1137068783 /nfs/dbraw/zinc/06/87/83/1137068783.db2.gz UXZHLQJJFGUSCJ-SUYBPPKGSA-N 2 1 345.314 3.831 20 0 EHADMP C[C@@]1(C[NH2+]Cc2cc3cccnc3o2)CC[N@H+](Cc2ccccc2)C1 ZINC000824332396 1137133008 /nfs/dbraw/zinc/13/30/08/1137133008.db2.gz KFFCBCQNEROMDX-NRFANRHFSA-N 2 1 335.451 3.830 20 0 EHADMP C[C@@]1(C[NH2+]Cc2cc3cccnc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332396 1137133009 /nfs/dbraw/zinc/13/30/09/1137133009.db2.gz KFFCBCQNEROMDX-NRFANRHFSA-N 2 1 335.451 3.830 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000862275291 1137136917 /nfs/dbraw/zinc/13/69/17/1137136917.db2.gz PUFYKJMVFXACRF-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000862275291 1137136919 /nfs/dbraw/zinc/13/69/19/1137136919.db2.gz PUFYKJMVFXACRF-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1c(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862284579 1137136986 /nfs/dbraw/zinc/13/69/86/1137136986.db2.gz KHZLESIYPPTKSG-IGOJGBNBSA-N 2 1 341.474 3.775 20 0 EHADMP Cc1c(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862284579 1137136987 /nfs/dbraw/zinc/13/69/87/1137136987.db2.gz KHZLESIYPPTKSG-IGOJGBNBSA-N 2 1 341.474 3.775 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862283563 1137137113 /nfs/dbraw/zinc/13/71/13/1137137113.db2.gz KOZKGPGUKQXONE-DNVCBOLYSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862283563 1137137115 /nfs/dbraw/zinc/13/71/15/1137137115.db2.gz KOZKGPGUKQXONE-DNVCBOLYSA-N 2 1 327.447 3.672 20 0 EHADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171063098 1137149720 /nfs/dbraw/zinc/14/97/20/1137149720.db2.gz LNSDPAVVLGSODZ-GJZGRUSLSA-N 2 1 327.299 3.925 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066024 1137152061 /nfs/dbraw/zinc/15/20/61/1137152061.db2.gz FRWWDIZBYMXRHA-LSDHHAIUSA-N 2 1 327.299 3.925 20 0 EHADMP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc[nH+]cc3C(F)(F)F)c2C1 ZINC001171095427 1137187966 /nfs/dbraw/zinc/18/79/66/1137187966.db2.gz UBIIGFLLAWDNBA-LLVKDONJSA-N 2 1 331.341 3.860 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccccc1 ZINC000339065497 1137209104 /nfs/dbraw/zinc/20/91/04/1137209104.db2.gz FRGFXZGLZHLWME-TZIWHRDSSA-N 2 1 349.478 3.655 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1ccccc1 ZINC000339065497 1137209106 /nfs/dbraw/zinc/20/91/06/1137209106.db2.gz FRGFXZGLZHLWME-TZIWHRDSSA-N 2 1 349.478 3.655 20 0 EHADMP Cc1c(O)cccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122022 1137241126 /nfs/dbraw/zinc/24/11/26/1137241126.db2.gz SMKGZOJACJMJQP-RTWAWAEBSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122022 1137241127 /nfs/dbraw/zinc/24/11/27/1137241127.db2.gz SMKGZOJACJMJQP-RTWAWAEBSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122022 1137241129 /nfs/dbraw/zinc/24/11/29/1137241129.db2.gz SMKGZOJACJMJQP-RTWAWAEBSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122022 1137241130 /nfs/dbraw/zinc/24/11/30/1137241130.db2.gz SMKGZOJACJMJQP-RTWAWAEBSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122022 1137241132 /nfs/dbraw/zinc/24/11/32/1137241132.db2.gz SMKGZOJACJMJQP-RTWAWAEBSA-N 2 1 336.479 3.655 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510013 1137290155 /nfs/dbraw/zinc/29/01/55/1137290155.db2.gz RCIQZYSRWAMDSE-IEBWSBKVSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@]1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@]1(F)Cl ZINC000846037879 1137328553 /nfs/dbraw/zinc/32/85/53/1137328553.db2.gz MYNHUEPDLAFLGZ-RTBURBONSA-N 2 1 338.898 3.988 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846813250 1137368847 /nfs/dbraw/zinc/36/88/47/1137368847.db2.gz FAQQIWFGTVPCFX-AEFFLSMTSA-N 2 1 347.528 3.783 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846813250 1137368849 /nfs/dbraw/zinc/36/88/49/1137368849.db2.gz FAQQIWFGTVPCFX-AEFFLSMTSA-N 2 1 347.528 3.783 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000846853657 1137372121 /nfs/dbraw/zinc/37/21/21/1137372121.db2.gz GUVBSNKJHDJYSI-OCCSQVGLSA-N 2 1 325.859 3.617 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853657 1137372123 /nfs/dbraw/zinc/37/21/23/1137372123.db2.gz GUVBSNKJHDJYSI-OCCSQVGLSA-N 2 1 325.859 3.617 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000282731782 1137443052 /nfs/dbraw/zinc/44/30/52/1137443052.db2.gz DORAZRDBVYWBDP-LAUBAEHRSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000282731782 1137443054 /nfs/dbraw/zinc/44/30/54/1137443054.db2.gz DORAZRDBVYWBDP-LAUBAEHRSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000282731782 1137443055 /nfs/dbraw/zinc/44/30/55/1137443055.db2.gz DORAZRDBVYWBDP-LAUBAEHRSA-N 2 1 340.515 3.558 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000348108239 1137445579 /nfs/dbraw/zinc/44/55/79/1137445579.db2.gz KKTOYTKIMJGTRR-MOPGFXCFSA-N 2 1 340.515 3.567 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000348108239 1137445580 /nfs/dbraw/zinc/44/55/80/1137445580.db2.gz KKTOYTKIMJGTRR-MOPGFXCFSA-N 2 1 340.515 3.567 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072827 1137463169 /nfs/dbraw/zinc/46/31/69/1137463169.db2.gz CHZOPDMGUZUSMT-RTBURBONSA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072827 1137463171 /nfs/dbraw/zinc/46/31/71/1137463171.db2.gz CHZOPDMGUZUSMT-RTBURBONSA-N 2 1 340.515 3.891 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171408930 1137474490 /nfs/dbraw/zinc/47/44/90/1137474490.db2.gz ARFKEJJOEAKFIX-SFHVURJKSA-N 2 1 342.433 3.772 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000715297674 1137476495 /nfs/dbraw/zinc/47/64/95/1137476495.db2.gz YVMYNZPQIDSQBE-YOLZPYMBSA-N 3 1 343.559 3.892 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000715297674 1137476497 /nfs/dbraw/zinc/47/64/97/1137476497.db2.gz YVMYNZPQIDSQBE-YOLZPYMBSA-N 3 1 343.559 3.892 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716729010 1137488669 /nfs/dbraw/zinc/48/86/69/1137488669.db2.gz RGZGVMUHELQWRY-UFYCRDLUSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171521848 1137496299 /nfs/dbraw/zinc/49/62/99/1137496299.db2.gz UMWFIXKBQPFVAC-TUVASFSCSA-N 2 1 338.417 3.566 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171521848 1137496300 /nfs/dbraw/zinc/49/63/00/1137496300.db2.gz UMWFIXKBQPFVAC-TUVASFSCSA-N 2 1 338.417 3.566 20 0 EHADMP COC(=O)c1ccc(C2([NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc1 ZINC001171614064 1137500589 /nfs/dbraw/zinc/50/05/89/1137500589.db2.gz URVZKIYBJAETNM-UHFFFAOYSA-N 2 1 344.499 3.703 20 0 EHADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171614514 1137500723 /nfs/dbraw/zinc/50/07/23/1137500723.db2.gz ZWHOUWBQUIQSAN-CQSZACIVSA-N 2 1 332.488 3.775 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccnc2C(F)(F)F)CC1(C)C ZINC001171623055 1137500997 /nfs/dbraw/zinc/50/09/97/1137500997.db2.gz IXTZJQRNLWPKER-UHFFFAOYSA-N 2 1 329.410 3.841 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncc(Br)c2)CC1(C)C ZINC001171623277 1137501334 /nfs/dbraw/zinc/50/13/34/1137501334.db2.gz RBAYJASAVNAWKA-UHFFFAOYSA-N 2 1 340.309 3.585 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637471 1137504384 /nfs/dbraw/zinc/50/43/84/1137504384.db2.gz OQEJWZGJHQFAGA-OAHLLOKOSA-N 2 1 338.536 3.692 20 0 EHADMP CC1([NH2+][C@H]2Cc3cccc(F)c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001171790380 1137512629 /nfs/dbraw/zinc/51/26/29/1137512629.db2.gz JZCZQFTUXHXIGC-IBGZPJMESA-N 2 1 338.470 3.937 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001171963151 1137519858 /nfs/dbraw/zinc/51/98/58/1137519858.db2.gz DRRCUHAKIFPYHP-PBHICJAKSA-N 2 1 326.406 3.664 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001171963151 1137519859 /nfs/dbraw/zinc/51/98/59/1137519859.db2.gz DRRCUHAKIFPYHP-PBHICJAKSA-N 2 1 326.406 3.664 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171965662 1137520318 /nfs/dbraw/zinc/52/03/18/1137520318.db2.gz ITYJINCQPNGNKN-OAQYLSRUSA-N 2 1 343.559 3.894 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171969575 1137523543 /nfs/dbraw/zinc/52/35/43/1137523543.db2.gz VHOJXXRWCOFLDY-FQEVSTJZSA-N 2 1 338.495 3.968 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2(C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171970857 1137523607 /nfs/dbraw/zinc/52/36/07/1137523607.db2.gz FPCBOTYHQNXZSO-FQEVSTJZSA-N 2 1 342.527 3.978 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC001171972009 1137523918 /nfs/dbraw/zinc/52/39/18/1137523918.db2.gz LLWFEJVXRBEAOO-OAQYLSRUSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976045 1137525221 /nfs/dbraw/zinc/52/52/21/1137525221.db2.gz OXMAQZUAVIMIFG-AQNXPRMDSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981509 1137526651 /nfs/dbraw/zinc/52/66/51/1137526651.db2.gz MJASRWJFLXTLCL-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981509 1137526653 /nfs/dbraw/zinc/52/66/53/1137526653.db2.gz MJASRWJFLXTLCL-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981509 1137526655 /nfs/dbraw/zinc/52/66/55/1137526655.db2.gz MJASRWJFLXTLCL-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984361 1137527429 /nfs/dbraw/zinc/52/74/29/1137527429.db2.gz KOFLUAFIZNLTGZ-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984361 1137527431 /nfs/dbraw/zinc/52/74/31/1137527431.db2.gz KOFLUAFIZNLTGZ-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984361 1137527433 /nfs/dbraw/zinc/52/74/33/1137527433.db2.gz KOFLUAFIZNLTGZ-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP c1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001172061014 1137528588 /nfs/dbraw/zinc/52/85/88/1137528588.db2.gz DXXWORNBVSSNAO-BCDXTJNWSA-N 2 1 327.497 3.818 20 0 EHADMP c1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172061014 1137528590 /nfs/dbraw/zinc/52/85/90/1137528590.db2.gz DXXWORNBVSSNAO-BCDXTJNWSA-N 2 1 327.497 3.818 20 0 EHADMP C[C@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172070385 1137530165 /nfs/dbraw/zinc/53/01/65/1137530165.db2.gz NVXHHFVYIDPHSA-PLACYPQZSA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCOC[C@H]2C2CC2)C3)cc1 ZINC001172081603 1137531238 /nfs/dbraw/zinc/53/12/38/1137531238.db2.gz HLUAYVFZZAOVMF-CBPXPLCBSA-N 2 1 340.511 3.683 20 0 EHADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001172083089 1137531285 /nfs/dbraw/zinc/53/12/85/1137531285.db2.gz NPWMMQZDAJITIF-MNVGVQDPSA-N 2 1 340.511 3.539 20 0 EHADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001172083089 1137531287 /nfs/dbraw/zinc/53/12/87/1137531287.db2.gz NPWMMQZDAJITIF-MNVGVQDPSA-N 2 1 340.511 3.539 20 0 EHADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001172083089 1137531289 /nfs/dbraw/zinc/53/12/89/1137531289.db2.gz NPWMMQZDAJITIF-MNVGVQDPSA-N 2 1 340.511 3.539 20 0 EHADMP COCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172063527 1137533244 /nfs/dbraw/zinc/53/32/44/1137533244.db2.gz BABVUJCIJJJZFF-ACDBMABISA-N 2 1 328.500 3.731 20 0 EHADMP CCOC(=O)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065563 1137533511 /nfs/dbraw/zinc/53/35/11/1137533511.db2.gz OAYWEYDRJKCUQH-OWZKRDHZSA-N 2 1 344.499 3.505 20 0 EHADMP C[C@@]1(O)CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067238 1137533697 /nfs/dbraw/zinc/53/36/97/1137533697.db2.gz LYDNJSOCXCTAGT-MRWPOJJOSA-N 2 1 342.527 3.855 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCc4ccccc4O3)CC1)C2 ZINC001172128001 1137534910 /nfs/dbraw/zinc/53/49/10/1137534910.db2.gz NLIPVDYVBBQXNH-PMOLBWCYSA-N 2 1 340.511 3.862 20 0 EHADMP Cc1cccc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172129377 1137535589 /nfs/dbraw/zinc/53/55/89/1137535589.db2.gz YXRGVHVSTQOYRF-BWTSREIZSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1cccc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172129377 1137535590 /nfs/dbraw/zinc/53/55/90/1137535590.db2.gz YXRGVHVSTQOYRF-BWTSREIZSA-N 2 1 328.500 3.854 20 0 EHADMP CN(C1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172134701 1137536194 /nfs/dbraw/zinc/53/61/94/1137536194.db2.gz YQXSGALXNRSIKA-WKCHPHFGSA-N 2 1 333.564 3.731 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C2 ZINC001172102261 1137536354 /nfs/dbraw/zinc/53/63/54/1137536354.db2.gz LMZMYWMLRVCNSY-QKDCVEJESA-N 2 1 330.369 3.949 20 0 EHADMP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108027 1137536849 /nfs/dbraw/zinc/53/68/49/1137536849.db2.gz NXROTIRTSFUTHW-NRSFXHEJSA-N 2 1 341.499 3.727 20 0 EHADMP COCCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001172110285 1137537305 /nfs/dbraw/zinc/53/73/05/1137537305.db2.gz JJUVSMXHDQHELH-BJWYYQGGSA-N 2 1 344.490 3.824 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccsc1Br)C2 ZINC001172114386 1137538606 /nfs/dbraw/zinc/53/86/06/1137538606.db2.gz RDOMHKHFWZLKDZ-ZSOGYDGISA-N 2 1 343.334 3.658 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)O5)C3)CC2)cc1 ZINC001172228471 1137542521 /nfs/dbraw/zinc/54/25/21/1137542521.db2.gz FLDGUQPGVKTZIY-SEJPIABJSA-N 2 1 340.511 3.685 20 0 EHADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172233707 1137542823 /nfs/dbraw/zinc/54/28/23/1137542823.db2.gz FJXVKZIPUZJHHN-RQUCOLAHSA-N 2 1 338.495 3.600 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC001172256265 1137544828 /nfs/dbraw/zinc/54/48/28/1137544828.db2.gz VFFWJKZSHLVAQE-UHFFFAOYSA-N 2 1 348.506 3.581 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172330121 1137551084 /nfs/dbraw/zinc/55/10/84/1137551084.db2.gz MAGMDLDSSBWCIA-BLKABHOGSA-N 2 1 344.543 3.952 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172330121 1137551085 /nfs/dbraw/zinc/55/10/85/1137551085.db2.gz MAGMDLDSSBWCIA-BLKABHOGSA-N 2 1 344.543 3.952 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172330121 1137551086 /nfs/dbraw/zinc/55/10/86/1137551086.db2.gz MAGMDLDSSBWCIA-BLKABHOGSA-N 2 1 344.543 3.952 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334538 1137551640 /nfs/dbraw/zinc/55/16/40/1137551640.db2.gz MZJVNHNEOXGMOY-PIKOESSRSA-N 2 1 333.520 3.747 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000872107062 1137571456 /nfs/dbraw/zinc/57/14/56/1137571456.db2.gz OGMOPFFHSHNSOA-XJKSGUPXSA-N 2 1 337.305 3.553 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000872133686 1137573392 /nfs/dbraw/zinc/57/33/92/1137573392.db2.gz OLUVSGBTUCQKBG-QHGAOEGBSA-N 2 1 338.499 3.879 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](CCSc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000872149431 1137573989 /nfs/dbraw/zinc/57/39/89/1137573989.db2.gz NMAKOBBLEGFAGB-GXFFZTMASA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000872149431 1137573990 /nfs/dbraw/zinc/57/39/90/1137573990.db2.gz NMAKOBBLEGFAGB-GXFFZTMASA-N 2 1 338.826 3.501 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)[nH]n1 ZINC000872146295 1137574037 /nfs/dbraw/zinc/57/40/37/1137574037.db2.gz KEMYVKQNSIRWTL-GOSISDBHSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n[nH]1 ZINC000872146295 1137574038 /nfs/dbraw/zinc/57/40/38/1137574038.db2.gz KEMYVKQNSIRWTL-GOSISDBHSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n[nH]1 ZINC000872146295 1137574039 /nfs/dbraw/zinc/57/40/39/1137574039.db2.gz KEMYVKQNSIRWTL-GOSISDBHSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000872146061 1137574088 /nfs/dbraw/zinc/57/40/88/1137574088.db2.gz DEHWRZKPMXTBNU-GOSISDBHSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)[nH]n1 ZINC000872146061 1137574089 /nfs/dbraw/zinc/57/40/89/1137574089.db2.gz DEHWRZKPMXTBNU-GOSISDBHSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)[nH]n1 ZINC000872146061 1137574090 /nfs/dbraw/zinc/57/40/90/1137574090.db2.gz DEHWRZKPMXTBNU-GOSISDBHSA-N 2 1 338.499 3.558 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1O ZINC000873231286 1137594472 /nfs/dbraw/zinc/59/44/72/1137594472.db2.gz CPENDUUQRRXOMW-MAUKXSAKSA-N 2 1 332.488 3.520 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741782 1137687577 /nfs/dbraw/zinc/68/75/77/1137687577.db2.gz NNBNWEWPEGDIHF-ZJCQAOIJSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741782 1137687578 /nfs/dbraw/zinc/68/75/78/1137687578.db2.gz NNBNWEWPEGDIHF-ZJCQAOIJSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741782 1137687579 /nfs/dbraw/zinc/68/75/79/1137687579.db2.gz NNBNWEWPEGDIHF-ZJCQAOIJSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741782 1137687580 /nfs/dbraw/zinc/68/75/80/1137687580.db2.gz NNBNWEWPEGDIHF-ZJCQAOIJSA-N 2 1 336.426 3.717 20 0 EHADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)n1 ZINC000878252354 1137708680 /nfs/dbraw/zinc/70/86/80/1137708680.db2.gz JLUUEMQIIFUZPF-QYZOEREBSA-N 2 1 325.456 3.900 20 0 EHADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)nc3C(F)(F)F)C2)CC1 ZINC000878865899 1137730436 /nfs/dbraw/zinc/73/04/36/1137730436.db2.gz DSMBOQOZDZZSLG-UHFFFAOYSA-N 2 1 347.812 3.672 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)nc3C(F)(F)F)C2)CC1 ZINC000878865899 1137730437 /nfs/dbraw/zinc/73/04/37/1137730437.db2.gz DSMBOQOZDZZSLG-UHFFFAOYSA-N 2 1 347.812 3.672 20 0 EHADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573713 1137751622 /nfs/dbraw/zinc/75/16/22/1137751622.db2.gz QAMCEQONTCRNMF-DOTOQJQBSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573713 1137751623 /nfs/dbraw/zinc/75/16/23/1137751623.db2.gz QAMCEQONTCRNMF-DOTOQJQBSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573713 1137751624 /nfs/dbraw/zinc/75/16/24/1137751624.db2.gz QAMCEQONTCRNMF-DOTOQJQBSA-N 2 1 326.406 3.664 20 0 EHADMP COc1ccccc1[C@@H]1CCC[N@@H+](CCCn2ccnc2C)CC1 ZINC000879732049 1137756956 /nfs/dbraw/zinc/75/69/56/1137756956.db2.gz PRCZSVCWMXBSHC-GOSISDBHSA-N 2 1 327.472 3.860 20 0 EHADMP COc1ccccc1[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000879732049 1137756957 /nfs/dbraw/zinc/75/69/57/1137756957.db2.gz PRCZSVCWMXBSHC-GOSISDBHSA-N 2 1 327.472 3.860 20 0 EHADMP COc1ccccc1[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000879732049 1137756958 /nfs/dbraw/zinc/75/69/58/1137756958.db2.gz PRCZSVCWMXBSHC-GOSISDBHSA-N 2 1 327.472 3.860 20 0 EHADMP C[C@@]1(C(F)(F)F)CC[NH+](CCC[N@H+]2CC[C@@](C)(C(F)(F)F)C2)C1 ZINC000880002232 1137764656 /nfs/dbraw/zinc/76/46/56/1137764656.db2.gz HVMLCAZDHNSKFK-CHWSQXEVSA-N 2 1 346.359 3.925 20 0 EHADMP C[C@@]1(C(F)(F)F)CC[NH+](CCC[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)C1 ZINC000880002232 1137764657 /nfs/dbraw/zinc/76/46/57/1137764657.db2.gz HVMLCAZDHNSKFK-CHWSQXEVSA-N 2 1 346.359 3.925 20 0 EHADMP COC[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134211 1137791110 /nfs/dbraw/zinc/79/11/10/1137791110.db2.gz CMDJOCKRUZURCE-DYESRHJHSA-N 2 1 341.499 3.996 20 0 EHADMP COC[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134211 1137791111 /nfs/dbraw/zinc/79/11/11/1137791111.db2.gz CMDJOCKRUZURCE-DYESRHJHSA-N 2 1 341.499 3.996 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882725718 1137832692 /nfs/dbraw/zinc/83/26/92/1137832692.db2.gz ZLSBWUAYZNFOIX-INIZCTEOSA-N 2 1 345.874 3.626 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(CO)c2ccccc2)cc1 ZINC000348254843 1137883540 /nfs/dbraw/zinc/88/35/40/1137883540.db2.gz ITFUAKWLYMTHGF-HTAPYJJXSA-N 2 1 349.478 3.782 20 0 EHADMP Cc1[nH]c2ccc(-n3cc(N)c(=[NH2+])c(-c4cccc(F)c4)c3)cc2[nH+]1 ZINC001213072081 1137926276 /nfs/dbraw/zinc/92/62/76/1137926276.db2.gz ASVPSDXFUOKSQW-UHFFFAOYSA-N 2 1 333.370 3.530 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000885942388 1138027249 /nfs/dbraw/zinc/02/72/49/1138027249.db2.gz NJIQONCZYSQWLO-IAGOWNOFSA-N 2 1 331.435 3.757 20 0 EHADMP FC(F)COc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000886166557 1138054968 /nfs/dbraw/zinc/05/49/68/1138054968.db2.gz LCUUUMPOGDPBLC-MRXNPFEDSA-N 2 1 338.442 3.542 20 0 EHADMP FC(F)COc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000886166557 1138054971 /nfs/dbraw/zinc/05/49/71/1138054971.db2.gz LCUUUMPOGDPBLC-MRXNPFEDSA-N 2 1 338.442 3.542 20 0 EHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000886534522 1138092195 /nfs/dbraw/zinc/09/21/95/1138092195.db2.gz KASZEMIQQBUUPN-JKLQHZFJSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000886537077 1138092486 /nfs/dbraw/zinc/09/24/86/1138092486.db2.gz SWHKIINBOAUOKR-UIFIKXQLSA-N 2 1 340.515 3.760 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000886537077 1138092488 /nfs/dbraw/zinc/09/24/88/1138092488.db2.gz SWHKIINBOAUOKR-UIFIKXQLSA-N 2 1 340.515 3.760 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000886541107 1138093312 /nfs/dbraw/zinc/09/33/12/1138093312.db2.gz QSMDISHVBARAPK-KJNZLNQQSA-N 2 1 335.495 3.815 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000886541107 1138093315 /nfs/dbraw/zinc/09/33/15/1138093315.db2.gz QSMDISHVBARAPK-KJNZLNQQSA-N 2 1 335.495 3.815 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886542944 1138093912 /nfs/dbraw/zinc/09/39/12/1138093912.db2.gz IHFFVGMBESPXTJ-YFNVTMOMSA-N 2 1 342.527 3.833 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)[nH+]c1C ZINC000886662837 1138110702 /nfs/dbraw/zinc/11/07/02/1138110702.db2.gz MYJNZPLEECBBQJ-UHFFFAOYSA-N 2 1 342.487 3.978 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876101 1138163129 /nfs/dbraw/zinc/16/31/29/1138163129.db2.gz IAWZYGSWDYIBTB-HXUWFJFHSA-N 2 1 325.456 3.616 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000080969045 1138165158 /nfs/dbraw/zinc/16/51/58/1138165158.db2.gz RGOIFBJXDBSNSH-UHFFFAOYSA-N 2 1 343.902 3.874 20 0 EHADMP c1ccc(C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C2CC2)cc1 ZINC000089594144 1138201830 /nfs/dbraw/zinc/20/18/30/1138201830.db2.gz FVBXUPNFGQJWKW-OAQYLSRUSA-N 2 1 342.527 3.632 20 0 EHADMP Cc1sc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000090399924 1138210552 /nfs/dbraw/zinc/21/05/52/1138210552.db2.gz WLTGSNDAKLHUAD-ZWKOTPCHSA-N 2 1 341.524 3.877 20 0 EHADMP C/C(=C\c1ccccc1)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092665494 1138230167 /nfs/dbraw/zinc/23/01/67/1138230167.db2.gz HQUPWONHKIUPQH-PBZJEKHCSA-N 2 1 341.543 3.580 20 0 EHADMP C/C(=C\c1ccccc1)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092665494 1138230169 /nfs/dbraw/zinc/23/01/69/1138230169.db2.gz HQUPWONHKIUPQH-PBZJEKHCSA-N 2 1 341.543 3.580 20 0 EHADMP Cc1csc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092820918 1138232109 /nfs/dbraw/zinc/23/21/09/1138232109.db2.gz OQLZASYMQFWTLY-UHFFFAOYSA-N 2 1 330.501 3.585 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000124035003 1138278121 /nfs/dbraw/zinc/27/81/21/1138278121.db2.gz AFGNFKPFWKBBBW-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000124035003 1138278123 /nfs/dbraw/zinc/27/81/23/1138278123.db2.gz AFGNFKPFWKBBBW-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035003 1138278124 /nfs/dbraw/zinc/27/81/24/1138278124.db2.gz AFGNFKPFWKBBBW-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035003 1138278128 /nfs/dbraw/zinc/27/81/28/1138278128.db2.gz AFGNFKPFWKBBBW-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000125754964 1138315743 /nfs/dbraw/zinc/31/57/43/1138315743.db2.gz HPWBNUVODISDTQ-SJORKVTESA-N 2 1 334.504 3.783 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000126843036 1138340072 /nfs/dbraw/zinc/34/00/72/1138340072.db2.gz BCVQXHRTQFFIRF-JKSUJKDBSA-N 2 1 332.517 3.527 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000126843036 1138340074 /nfs/dbraw/zinc/34/00/74/1138340074.db2.gz BCVQXHRTQFFIRF-JKSUJKDBSA-N 2 1 332.517 3.527 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@H]3CCCCO3)CC2)cc1 ZINC000129494751 1138412842 /nfs/dbraw/zinc/41/28/42/1138412842.db2.gz QRDBWKAPCFHDFL-OAQYLSRUSA-N 2 1 330.516 3.632 20 0 EHADMP CCCCc1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)cs1 ZINC000337079072 1138462173 /nfs/dbraw/zinc/46/21/73/1138462173.db2.gz TZOFGGNEHPWKPJ-FUHWJXTLSA-N 2 1 329.513 3.660 20 0 EHADMP CCCCc1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)cs1 ZINC000337079072 1138462175 /nfs/dbraw/zinc/46/21/75/1138462175.db2.gz TZOFGGNEHPWKPJ-FUHWJXTLSA-N 2 1 329.513 3.660 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCC(F)(F)C3)sc2C1 ZINC000337254603 1138510272 /nfs/dbraw/zinc/51/02/72/1138510272.db2.gz MHUCAWKFVOSBIA-CYBMUJFWSA-N 2 1 343.487 3.825 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCC(F)(F)C3)sc2C1 ZINC000337254603 1138510273 /nfs/dbraw/zinc/51/02/73/1138510273.db2.gz MHUCAWKFVOSBIA-CYBMUJFWSA-N 2 1 343.487 3.825 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337430481 1138567051 /nfs/dbraw/zinc/56/70/51/1138567051.db2.gz FDDWAQQCIWUBET-HBFSDRIKSA-N 2 1 345.531 3.994 20 0 EHADMP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000137691208 1138869605 /nfs/dbraw/zinc/86/96/05/1138869605.db2.gz SFKAWJWACKMHCF-IBGZPJMESA-N 2 1 345.531 3.828 20 0 EHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000137691208 1138869617 /nfs/dbraw/zinc/86/96/17/1138869617.db2.gz SFKAWJWACKMHCF-IBGZPJMESA-N 2 1 345.531 3.828 20 0 EHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000137691208 1138869627 /nfs/dbraw/zinc/86/96/27/1138869627.db2.gz SFKAWJWACKMHCF-IBGZPJMESA-N 2 1 345.531 3.828 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000178133474 1139672895 /nfs/dbraw/zinc/67/28/95/1139672895.db2.gz BGHSBZMNWOQERO-KRWDZBQOSA-N 2 1 343.540 3.736 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1O ZINC000178409664 1139691899 /nfs/dbraw/zinc/69/18/99/1139691899.db2.gz ICHXLHIEEMRPKZ-CRAIPNDOSA-N 2 1 332.488 3.534 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc([C@H]4C[C@H]4C)o3)CC2)nc(C)[nH+]1 ZINC000178615581 1139707281 /nfs/dbraw/zinc/70/72/81/1139707281.db2.gz WOWGFQAYAXRRGH-ACJLOTCBSA-N 2 1 340.471 3.568 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178697202 1139712936 /nfs/dbraw/zinc/71/29/36/1139712936.db2.gz ZXSMCJJJXHMOEZ-HIFRSBDPSA-N 2 1 331.460 3.504 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000182274045 1139962431 /nfs/dbraw/zinc/96/24/31/1139962431.db2.gz DXIIGFSIDFBPGJ-GCJKJVERSA-N 2 1 338.495 3.721 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCS2 ZINC000191498242 1140467082 /nfs/dbraw/zinc/46/70/82/1140467082.db2.gz ZWMPSQFUBBQKNR-SFHVURJKSA-N 2 1 332.513 3.696 20 0 EHADMP CC(C)(C)[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193282338 1140570041 /nfs/dbraw/zinc/57/00/41/1140570041.db2.gz LGXRQHUJDHMFDE-RAFMOHDBSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429575974 1140573728 /nfs/dbraw/zinc/57/37/28/1140573728.db2.gz FGRSGERPROJBHP-PXAZEXFGSA-N 2 1 331.847 3.601 20 0 EHADMP Cc1nc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000268757515 1140984512 /nfs/dbraw/zinc/98/45/12/1140984512.db2.gz KBKIZLBKWBUFDE-CYBMUJFWSA-N 2 1 326.469 3.839 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000268778840 1140990765 /nfs/dbraw/zinc/99/07/65/1140990765.db2.gz CLNBUGFBNSYWSY-LLVKDONJSA-N 2 1 327.350 3.673 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)cc1 ZINC000268894499 1141020945 /nfs/dbraw/zinc/02/09/45/1141020945.db2.gz JXEWZCWTSFICSI-IIBYNOLFSA-N 2 1 335.451 3.873 20 0 EHADMP Cc1cccc(C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)c1 ZINC000268916242 1141025440 /nfs/dbraw/zinc/02/54/40/1141025440.db2.gz VDQPWDFZLAFZNT-OAQYLSRUSA-N 2 1 342.527 3.551 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268942934 1141031629 /nfs/dbraw/zinc/03/16/29/1141031629.db2.gz AHLZOZLXPQENDN-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076058 1141060911 /nfs/dbraw/zinc/06/09/11/1141060911.db2.gz YNQYMRNXJAXJDS-KPFFTGBYSA-N 2 1 344.524 3.598 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269092401 1141063628 /nfs/dbraw/zinc/06/36/28/1141063628.db2.gz QUWPUKSYWWHDRY-RXVVDRJESA-N 3 1 343.559 3.892 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1SC ZINC000270554897 1141239464 /nfs/dbraw/zinc/23/94/64/1141239464.db2.gz ZOLQZNDCRWULIB-KRWDZBQOSA-N 2 1 334.529 3.581 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000271041973 1141299572 /nfs/dbraw/zinc/29/95/72/1141299572.db2.gz NJPDZQKYYMHMQX-UHFFFAOYSA-N 2 1 330.394 3.732 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000271041973 1141299575 /nfs/dbraw/zinc/29/95/75/1141299575.db2.gz NJPDZQKYYMHMQX-UHFFFAOYSA-N 2 1 330.394 3.732 20 0 EHADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000349070068 1141632290 /nfs/dbraw/zinc/63/22/90/1141632290.db2.gz AUOSPVYPJVGTJP-UHFFFAOYSA-N 2 1 347.890 3.616 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164635481 719211613 /nfs/dbraw/zinc/21/16/13/719211613.db2.gz IQJRVPISIZBDME-DLBZAZTESA-N 2 1 334.467 3.613 20 0 EHADMP Cc1c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)sc2nc(C)nc(C)c12 ZINC000763607521 1125462630 /nfs/dbraw/zinc/46/26/30/1125462630.db2.gz SPOGOMREDSJFTP-HNNXBMFYSA-N 2 1 332.517 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)sc2nc(C)nc(C)c12 ZINC000763607521 1125462633 /nfs/dbraw/zinc/46/26/33/1125462633.db2.gz SPOGOMREDSJFTP-HNNXBMFYSA-N 2 1 332.517 3.533 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000579717755 1014251275 /nfs/dbraw/zinc/25/12/75/1014251275.db2.gz HDFAXQCYYIGGSP-MSOLQXFVSA-N 2 1 349.544 3.519 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(Cl)c1 ZINC000579721761 1014266847 /nfs/dbraw/zinc/26/68/47/1014266847.db2.gz CMPJSTBBOIDVGH-UHFFFAOYSA-N 2 1 332.875 3.879 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430145111 1014370057 /nfs/dbraw/zinc/37/00/57/1014370057.db2.gz CSWSVELOHNKKHM-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000430145111 1014370067 /nfs/dbraw/zinc/37/00/67/1014370067.db2.gz CSWSVELOHNKKHM-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000430145111 1014370079 /nfs/dbraw/zinc/37/00/79/1014370079.db2.gz CSWSVELOHNKKHM-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000430145111 1014370092 /nfs/dbraw/zinc/37/00/92/1014370092.db2.gz CSWSVELOHNKKHM-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429085 1014411225 /nfs/dbraw/zinc/41/12/25/1014411225.db2.gz VQLRITJTRXRETA-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429085 1014411231 /nfs/dbraw/zinc/41/12/31/1014411231.db2.gz VQLRITJTRXRETA-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429085 1014411235 /nfs/dbraw/zinc/41/12/35/1014411235.db2.gz VQLRITJTRXRETA-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429085 1014411239 /nfs/dbraw/zinc/41/12/39/1014411239.db2.gz VQLRITJTRXRETA-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001279341347 1014530393 /nfs/dbraw/zinc/53/03/93/1014530393.db2.gz LILWRXVJBMLFLO-QGZVFWFLSA-N 2 1 342.405 3.811 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001279341347 1014530400 /nfs/dbraw/zinc/53/04/00/1014530400.db2.gz LILWRXVJBMLFLO-QGZVFWFLSA-N 2 1 342.405 3.811 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001279341347 1014530406 /nfs/dbraw/zinc/53/04/06/1014530406.db2.gz LILWRXVJBMLFLO-QGZVFWFLSA-N 2 1 342.405 3.811 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001279341347 1014530413 /nfs/dbraw/zinc/53/04/13/1014530413.db2.gz LILWRXVJBMLFLO-QGZVFWFLSA-N 2 1 342.405 3.811 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449060285 1032101405 /nfs/dbraw/zinc/10/14/05/1032101405.db2.gz CQFCZVBPYDEKHP-GFCCVEGCSA-N 2 1 331.287 3.835 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000261421684 1015349892 /nfs/dbraw/zinc/34/98/92/1015349892.db2.gz HGYALDSOJVPSGC-WIYYLYMNSA-N 2 1 343.559 3.757 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000154517722 1015518163 /nfs/dbraw/zinc/51/81/63/1015518163.db2.gz HWNHEILJGFYVDK-IBGZPJMESA-N 2 1 347.547 3.542 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598982931 1033629411 /nfs/dbraw/zinc/62/94/11/1033629411.db2.gz SSFWAOYXSOVVQS-OAHLLOKOSA-N 2 1 326.525 3.597 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001208920278 1015601953 /nfs/dbraw/zinc/60/19/53/1015601953.db2.gz ARQQAGBZVLJDHQ-QEUVDIPISA-N 2 1 344.543 3.887 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001208920278 1015601969 /nfs/dbraw/zinc/60/19/69/1015601969.db2.gz ARQQAGBZVLJDHQ-QEUVDIPISA-N 2 1 344.543 3.887 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001208920278 1015601975 /nfs/dbraw/zinc/60/19/75/1015601975.db2.gz ARQQAGBZVLJDHQ-QEUVDIPISA-N 2 1 344.543 3.887 20 0 EHADMP C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000547746941 1015795341 /nfs/dbraw/zinc/79/53/41/1015795341.db2.gz FBBRAXAJKKMEBB-ZIAGYGMSSA-N 2 1 336.430 3.956 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000449086235 1032144089 /nfs/dbraw/zinc/14/40/89/1032144089.db2.gz BKHRNKZWSGCHER-MOPGFXCFSA-N 2 1 335.580 3.882 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@H](C)C1 ZINC000155397114 1016736537 /nfs/dbraw/zinc/73/65/37/1016736537.db2.gz LFHNRVHWDLZCFJ-NZSAHSFTSA-N 2 1 348.556 3.950 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180168292 1016887567 /nfs/dbraw/zinc/88/75/67/1016887567.db2.gz HVPAIMYUZUGIKR-FRYIKTPZSA-N 2 1 330.516 3.690 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000275517624 1016956475 /nfs/dbraw/zinc/95/64/75/1016956475.db2.gz YQGBGINIRMDXMO-PMACEKPBSA-N 2 1 334.479 3.854 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)nc(C)[nH+]1 ZINC000459480430 1032172769 /nfs/dbraw/zinc/17/27/69/1032172769.db2.gz PIQFEGLSQLJSND-UHFFFAOYSA-N 2 1 336.483 3.729 20 0 EHADMP CC(C)OC1CC([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000459487259 1032181124 /nfs/dbraw/zinc/18/11/24/1032181124.db2.gz LYPYODRPBIXMED-UHFFFAOYSA-N 2 1 342.527 3.931 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379623344 1032183267 /nfs/dbraw/zinc/18/32/67/1032183267.db2.gz IEQXKVUPTKTIJR-GHTZIAJQSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449107044 1032185843 /nfs/dbraw/zinc/18/58/43/1032185843.db2.gz LDVXBJXPKKISMU-QMTHXVAHSA-N 2 1 329.257 3.505 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449108799 1032190175 /nfs/dbraw/zinc/19/01/75/1032190175.db2.gz VTNGMHBBYUNTQL-LPHOPBHVSA-N 2 1 336.907 3.677 20 0 EHADMP CCC[N@H+]1CC[C@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449093878 1032201938 /nfs/dbraw/zinc/20/19/38/1032201938.db2.gz QBWFWWUXQGFHRM-GOSISDBHSA-N 2 1 337.596 3.987 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449093878 1032201946 /nfs/dbraw/zinc/20/19/46/1032201946.db2.gz QBWFWWUXQGFHRM-GOSISDBHSA-N 3 1 337.596 3.987 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449093878 1032201961 /nfs/dbraw/zinc/20/19/61/1032201961.db2.gz QBWFWWUXQGFHRM-GOSISDBHSA-N 3 1 337.596 3.987 20 0 EHADMP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000184010139 1032223141 /nfs/dbraw/zinc/22/31/41/1032223141.db2.gz VHHWWJQWDFVDJR-LJQANCHMSA-N 2 1 326.488 3.573 20 0 EHADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000184010139 1032223157 /nfs/dbraw/zinc/22/31/57/1032223157.db2.gz VHHWWJQWDFVDJR-LJQANCHMSA-N 2 1 326.488 3.573 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)cc1 ZINC000191575540 1032256500 /nfs/dbraw/zinc/25/65/00/1032256500.db2.gz VUFFTYBZHKTQHU-UWJYYQICSA-N 2 1 349.478 3.743 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000461108642 1032258768 /nfs/dbraw/zinc/25/87/68/1032258768.db2.gz NKRHASDSIQSZKW-WMZOPIPTSA-N 2 1 348.531 3.834 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C2CCCC2)o1 ZINC000538292707 1032275527 /nfs/dbraw/zinc/27/55/27/1032275527.db2.gz AJYXARBDBGASTK-QKNQBKEWSA-N 2 1 346.515 3.787 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000449179462 1032292877 /nfs/dbraw/zinc/29/28/77/1032292877.db2.gz ZZKIGFKEASLZRW-COPCDDAFSA-N 3 1 343.559 3.544 20 0 EHADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440233 1032301145 /nfs/dbraw/zinc/30/11/45/1032301145.db2.gz KRPKRKNPKUCEQI-BLIXFSHQSA-N 2 1 348.506 3.626 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C2CC2)c1 ZINC000536833022 1032327910 /nfs/dbraw/zinc/32/79/10/1032327910.db2.gz NSDPDPMYWMBHSO-DENIHFKCSA-N 2 1 344.543 3.974 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000449232470 1032350437 /nfs/dbraw/zinc/35/04/37/1032350437.db2.gz HZKMJNNFUDKOQT-IRXDYDNUSA-N 2 1 341.474 3.967 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000081633283 1032355433 /nfs/dbraw/zinc/35/54/33/1032355433.db2.gz KSUCZCMLBBQTPO-INIZCTEOSA-N 2 1 326.406 3.869 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000536861165 1032360914 /nfs/dbraw/zinc/36/09/14/1032360914.db2.gz DAKMQLZWUZFRBB-OWCLPIDISA-N 2 1 336.545 3.777 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000536861172 1032361094 /nfs/dbraw/zinc/36/10/94/1032361094.db2.gz DAKMQLZWUZFRBB-XHSDSOJGSA-N 2 1 336.545 3.777 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459728083 1032432739 /nfs/dbraw/zinc/43/27/39/1032432739.db2.gz CRAKKLWFBIBZKX-GJZGRUSLSA-N 2 1 328.422 3.958 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730667 1032435427 /nfs/dbraw/zinc/43/54/27/1032435427.db2.gz FDJLBSRDGUNGKC-GDBMZVCRSA-N 2 1 339.321 3.702 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730544 1032434520 /nfs/dbraw/zinc/43/45/20/1032434520.db2.gz KOYYKBLYSMELCB-SFHVURJKSA-N 2 1 340.515 3.817 20 0 EHADMP CCCOc1c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cccc1OCC ZINC000459744054 1032457500 /nfs/dbraw/zinc/45/75/00/1032457500.db2.gz XPRSZVWQZQETCU-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449386772 1032512362 /nfs/dbraw/zinc/51/23/62/1032512362.db2.gz UXZIUBLJHDLODX-KRWDZBQOSA-N 2 1 349.485 3.503 20 0 EHADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522317 1032584156 /nfs/dbraw/zinc/58/41/56/1032584156.db2.gz SVQZYAKZGJZEQB-VDGAXYAQSA-N 2 1 346.515 3.504 20 0 EHADMP CCN(CCC[NH+](CC)CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001167285929 1017220748 /nfs/dbraw/zinc/22/07/48/1017220748.db2.gz CDSOXFVHQPESMO-TZIWHRDSSA-N 2 1 331.548 3.876 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468557507 1017358482 /nfs/dbraw/zinc/35/84/82/1017358482.db2.gz YYDDVOCYQJAGIZ-DYEKYZERSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468557507 1017358493 /nfs/dbraw/zinc/35/84/93/1017358493.db2.gz YYDDVOCYQJAGIZ-DYEKYZERSA-N 2 1 343.284 3.592 20 0 EHADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1OC ZINC000340401193 1017363181 /nfs/dbraw/zinc/36/31/81/1017363181.db2.gz SDZIAPSCYSIODJ-IAGOWNOFSA-N 2 1 334.504 3.552 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCCn3ccnc32)cc1 ZINC000655690160 1017407000 /nfs/dbraw/zinc/40/70/00/1017407000.db2.gz XSQWDZOYTJNRPD-PXNSSMCTSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655690160 1017407011 /nfs/dbraw/zinc/40/70/11/1017407011.db2.gz XSQWDZOYTJNRPD-PXNSSMCTSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655690160 1017407014 /nfs/dbraw/zinc/40/70/14/1017407014.db2.gz XSQWDZOYTJNRPD-PXNSSMCTSA-N 2 1 338.499 3.882 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698346 1017415434 /nfs/dbraw/zinc/41/54/34/1017415434.db2.gz VBJVUDZWINCSAX-WOJBJXKFSA-N 2 1 334.479 3.756 20 0 EHADMP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1C ZINC000655700510 1017418090 /nfs/dbraw/zinc/41/80/90/1017418090.db2.gz LOBPLMYBAPWHIH-LJQANCHMSA-N 2 1 341.499 3.518 20 0 EHADMP FC(F)(F)COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415035594 1017440572 /nfs/dbraw/zinc/44/05/72/1017440572.db2.gz DTRTTXVINBUVHG-WBVHZDCISA-N 2 1 342.405 3.592 20 0 EHADMP CCc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655720658 1017455341 /nfs/dbraw/zinc/45/53/41/1017455341.db2.gz BYPPJPWTAZBUBM-OAQYLSRUSA-N 2 1 344.543 3.760 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056133 1017479441 /nfs/dbraw/zinc/47/94/41/1017479441.db2.gz RNOKJYGWHAJECJ-CRAIPNDOSA-N 2 1 329.875 3.852 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1OC ZINC000415091801 1017547516 /nfs/dbraw/zinc/54/75/16/1017547516.db2.gz QXIAMQDMCMLFER-RBUKOAKNSA-N 2 1 340.467 3.677 20 0 EHADMP Cc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1C ZINC000655761950 1017558902 /nfs/dbraw/zinc/55/89/02/1017558902.db2.gz RMKWTRPZLNPNKK-OAQYLSRUSA-N 2 1 342.527 3.568 20 0 EHADMP c1ccc([C@@H]2CCCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655774109 1017567442 /nfs/dbraw/zinc/56/74/42/1017567442.db2.gz PXEANLJNHBMOBT-BVSLBCMMSA-N 2 1 342.527 3.803 20 0 EHADMP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415112981 1017568133 /nfs/dbraw/zinc/56/81/33/1017568133.db2.gz SBGFHZOIDVTWAD-FGZHOGPDSA-N 2 1 346.478 3.514 20 0 EHADMP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772173 1017571394 /nfs/dbraw/zinc/57/13/94/1017571394.db2.gz BZVNDUIMMPOEFU-UAGQMJEPSA-N 2 1 348.453 3.731 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000538115832 1017733213 /nfs/dbraw/zinc/73/32/13/1017733213.db2.gz CJVGVTCRODHSJF-LVCYWYKZSA-N 2 1 330.516 3.925 20 0 EHADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(Cc2ccccc2)c1 ZINC000655849644 1017768245 /nfs/dbraw/zinc/76/82/45/1017768245.db2.gz XRBIGSXTCZOPED-IOMROCGXSA-N 2 1 338.499 3.599 20 0 EHADMP COCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000340438167 1017806609 /nfs/dbraw/zinc/80/66/09/1017806609.db2.gz ACXBUSAXMGAUKN-SEJPIABJSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H](C[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC001167312908 1017891092 /nfs/dbraw/zinc/89/10/92/1017891092.db2.gz CMXLYYWZUUGWKQ-LJQANCHMSA-N 2 1 338.495 3.754 20 0 EHADMP C[C@H](C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001167312908 1017891112 /nfs/dbraw/zinc/89/11/12/1017891112.db2.gz CMXLYYWZUUGWKQ-LJQANCHMSA-N 2 1 338.495 3.754 20 0 EHADMP C[C@H](C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001167312908 1017891130 /nfs/dbraw/zinc/89/11/30/1017891130.db2.gz CMXLYYWZUUGWKQ-LJQANCHMSA-N 2 1 338.495 3.754 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000579977560 1017946314 /nfs/dbraw/zinc/94/63/14/1017946314.db2.gz FYYXYHPMVVWNKH-ONFYXGJMSA-N 2 1 338.499 3.592 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000579977560 1017946324 /nfs/dbraw/zinc/94/63/24/1017946324.db2.gz FYYXYHPMVVWNKH-ONFYXGJMSA-N 2 1 338.499 3.592 20 0 EHADMP COc1cccc(C[C@H]2CCCCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000528752696 1032745021 /nfs/dbraw/zinc/74/50/21/1032745021.db2.gz YXSSARVFWBVVDI-LJQANCHMSA-N 2 1 341.499 3.849 20 0 EHADMP COc1cccc(C[C@H]2CCCCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000528752696 1032745036 /nfs/dbraw/zinc/74/50/36/1032745036.db2.gz YXSSARVFWBVVDI-LJQANCHMSA-N 2 1 341.499 3.849 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472853875 1018311869 /nfs/dbraw/zinc/31/18/69/1018311869.db2.gz UEPZYDUOJXEUHX-ZWKOTPCHSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472853875 1018311882 /nfs/dbraw/zinc/31/18/82/1018311882.db2.gz UEPZYDUOJXEUHX-ZWKOTPCHSA-N 2 1 349.950 3.893 20 0 EHADMP COC(=O)c1csc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000580106767 1018653555 /nfs/dbraw/zinc/65/35/55/1018653555.db2.gz MYYLVZNXEITABX-SWLSCSKDSA-N 2 1 326.506 3.552 20 0 EHADMP Cc1nc(C)c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000683897575 1019143984 /nfs/dbraw/zinc/14/39/84/1019143984.db2.gz CQSCYINXOAKBII-BEFAXECRSA-N 2 1 327.472 3.776 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001168279764 1032816113 /nfs/dbraw/zinc/81/61/13/1032816113.db2.gz KWUWLAHYJPPVTG-WOJBJXKFSA-N 2 1 328.500 3.503 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCc4c3c(F)ccc4F)CC2)[nH+]c1 ZINC000513342367 1019564862 /nfs/dbraw/zinc/56/48/62/1019564862.db2.gz FPWPJKPRVQZRKW-GOSISDBHSA-N 2 1 343.421 3.914 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000513656924 1019913013 /nfs/dbraw/zinc/91/30/13/1019913013.db2.gz ZCUFYHYILPCTJE-ACRUOGEOSA-N 2 1 328.500 3.970 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H]2CCC[C@H]21 ZINC000513673657 1019923675 /nfs/dbraw/zinc/92/36/75/1019923675.db2.gz VNVXXZSRVZLUAR-CWRNSKLLSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H]2CCC[C@H]21 ZINC000513673657 1019923681 /nfs/dbraw/zinc/92/36/81/1019923681.db2.gz VNVXXZSRVZLUAR-CWRNSKLLSA-N 2 1 341.268 3.551 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000580991648 1020338784 /nfs/dbraw/zinc/33/87/84/1020338784.db2.gz QHZIHIBVVCBMNE-SVFBPWRDSA-N 2 1 346.563 3.792 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccc(F)cn3)C2)s1 ZINC000581313831 1020667554 /nfs/dbraw/zinc/66/75/54/1020667554.db2.gz TWIJORNZPJJQGK-HNNXBMFYSA-N 2 1 333.476 3.545 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035347 1020671643 /nfs/dbraw/zinc/67/16/43/1020671643.db2.gz ILCZUXZTTIQHMI-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035347 1020671649 /nfs/dbraw/zinc/67/16/49/1020671649.db2.gz ILCZUXZTTIQHMI-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035347 1020671653 /nfs/dbraw/zinc/67/16/53/1020671653.db2.gz ILCZUXZTTIQHMI-PBHICJAKSA-N 2 1 339.321 3.920 20 0 EHADMP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000153858094 1021078074 /nfs/dbraw/zinc/07/80/74/1021078074.db2.gz RZXKGYRSHUCBRH-RTBURBONSA-N 3 1 343.559 3.970 20 0 EHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1Cl ZINC001167964009 1021238482 /nfs/dbraw/zinc/23/84/82/1021238482.db2.gz JXOIZZRJULECPA-ALOPSCKCSA-N 2 1 334.891 3.844 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1 ZINC000414892116 1021255341 /nfs/dbraw/zinc/25/53/41/1021255341.db2.gz WJQARSLEBCPHMA-NQERJWCQSA-N 2 1 342.458 3.673 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422801 1021256346 /nfs/dbraw/zinc/25/63/46/1021256346.db2.gz QBAMNKHGAWQNME-SCTDSRPQSA-N 2 1 328.504 3.808 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422801 1021256354 /nfs/dbraw/zinc/25/63/54/1021256354.db2.gz QBAMNKHGAWQNME-SCTDSRPQSA-N 2 1 328.504 3.808 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426320975 1021258784 /nfs/dbraw/zinc/25/87/84/1021258784.db2.gz AHDLTQZCMXKFQJ-MRXNPFEDSA-N 2 1 337.305 3.756 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC3CCOCC3)C2)s1 ZINC000518542472 1021283684 /nfs/dbraw/zinc/28/36/84/1021283684.db2.gz WTCBOSJLEKSTAB-SFHVURJKSA-N 2 1 336.545 3.627 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC3CCOCC3)C2)s1 ZINC000518542472 1021283690 /nfs/dbraw/zinc/28/36/90/1021283690.db2.gz WTCBOSJLEKSTAB-SFHVURJKSA-N 2 1 336.545 3.627 20 0 EHADMP COc1ccc2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656783681 1021320207 /nfs/dbraw/zinc/32/02/07/1021320207.db2.gz UCENLIDLPPKGJY-OAHLLOKOSA-N 2 1 345.512 3.517 20 0 EHADMP COc1cccc(-c2csc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000894860788 1021504778 /nfs/dbraw/zinc/50/47/78/1021504778.db2.gz GPEHMTBJDVDHNY-HNNXBMFYSA-N 2 1 345.512 3.640 20 0 EHADMP [NH3+]CCc1cn(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)c2ccc(O)cc12 ZINC001167987875 1021614010 /nfs/dbraw/zinc/61/40/10/1021614010.db2.gz QNUAODGHYFVVOO-UHFFFAOYSA-N 2 1 342.402 3.867 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H]2CCO[C@H]21 ZINC000516649839 1021626994 /nfs/dbraw/zinc/62/69/94/1021626994.db2.gz AUNPYJWWMIRTKU-UAFMIMERSA-N 2 1 340.511 3.587 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H]2CCO[C@H]21 ZINC000516649839 1021627006 /nfs/dbraw/zinc/62/70/06/1021627006.db2.gz AUNPYJWWMIRTKU-UAFMIMERSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(F)(F)CC3)c2)CCO1 ZINC000647175549 1021631354 /nfs/dbraw/zinc/63/13/54/1021631354.db2.gz WPLDIGJFZKNIRW-OAHLLOKOSA-N 2 1 338.442 3.575 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(F)(F)CC3)c2)CCO1 ZINC000647175549 1021631362 /nfs/dbraw/zinc/63/13/62/1021631362.db2.gz WPLDIGJFZKNIRW-OAHLLOKOSA-N 2 1 338.442 3.575 20 0 EHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440632105 1021664558 /nfs/dbraw/zinc/66/45/58/1021664558.db2.gz BJWWMHZVRBOZKR-UHFFFAOYSA-N 2 1 332.414 3.563 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2sccc2C)CC1 ZINC000506018253 1021704856 /nfs/dbraw/zinc/70/48/56/1021704856.db2.gz ZFGNWCOZLHAVQB-UHFFFAOYSA-N 2 1 343.540 3.830 20 0 EHADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167965826 1021870972 /nfs/dbraw/zinc/87/09/72/1021870972.db2.gz NLYWUKFNIPKBMZ-SMLSOGCJSA-N 2 1 325.500 3.836 20 0 EHADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167965826 1021870986 /nfs/dbraw/zinc/87/09/86/1021870986.db2.gz NLYWUKFNIPKBMZ-SMLSOGCJSA-N 2 1 325.500 3.836 20 0 EHADMP Fc1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167962159 1021982636 /nfs/dbraw/zinc/98/26/36/1021982636.db2.gz UHZZMHRFUJFKPG-YQQQUEKLSA-N 2 1 332.463 3.590 20 0 EHADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000471759494 1022064349 /nfs/dbraw/zinc/06/43/49/1022064349.db2.gz NIAXIIIWHJHWCX-INIZCTEOSA-N 2 1 325.378 3.968 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@](C)(C[NH3+])C1 ZINC001167967090 1022173590 /nfs/dbraw/zinc/17/35/90/1022173590.db2.gz BBOYTNBJICHIFM-JPNROTRYSA-N 3 1 333.564 3.525 20 0 EHADMP C[C@H](C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc(F)cc1 ZINC000437966689 1022283207 /nfs/dbraw/zinc/28/32/07/1022283207.db2.gz XFJLYJOVLXINTD-PBEJRMEISA-N 2 1 341.474 3.949 20 0 EHADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@H]2CCC[C@@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000437976656 1022300396 /nfs/dbraw/zinc/30/03/96/1022300396.db2.gz KSETWKBXSSTLSQ-XODKDNOYSA-N 2 1 346.563 3.951 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535000 1022304692 /nfs/dbraw/zinc/30/46/92/1022304692.db2.gz CZRVRKLUDDFSPZ-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535000 1022304702 /nfs/dbraw/zinc/30/47/02/1022304702.db2.gz CZRVRKLUDDFSPZ-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535000 1022304722 /nfs/dbraw/zinc/30/47/22/1022304722.db2.gz CZRVRKLUDDFSPZ-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535000 1022304741 /nfs/dbraw/zinc/30/47/41/1022304741.db2.gz CZRVRKLUDDFSPZ-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP CCCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000122966951 1022323670 /nfs/dbraw/zinc/32/36/70/1022323670.db2.gz ATGZANOHVQSUKW-UHFFFAOYSA-N 3 1 329.532 3.505 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H](C)O1 ZINC000438180147 1022445034 /nfs/dbraw/zinc/44/50/34/1022445034.db2.gz SQHMXRNZFVAKKY-NPDDRXJXSA-N 2 1 344.543 3.976 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602659507 1033057329 /nfs/dbraw/zinc/05/73/29/1033057329.db2.gz OUJLNMXDRVSJAP-UYAOXDASSA-N 2 1 344.499 3.678 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602659507 1033057336 /nfs/dbraw/zinc/05/73/36/1033057336.db2.gz OUJLNMXDRVSJAP-UYAOXDASSA-N 2 1 344.499 3.678 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000467367879 1022569942 /nfs/dbraw/zinc/56/99/42/1022569942.db2.gz DPHCWWSOUPSDTI-XYPHTWIQSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000467367879 1022569948 /nfs/dbraw/zinc/56/99/48/1022569948.db2.gz DPHCWWSOUPSDTI-XYPHTWIQSA-N 2 1 326.406 3.853 20 0 EHADMP CSc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000894591531 1022583766 /nfs/dbraw/zinc/58/37/66/1022583766.db2.gz DPYJLWYIKPZNHJ-UHFFFAOYSA-N 2 1 331.485 3.914 20 0 EHADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639355 1022748949 /nfs/dbraw/zinc/74/89/49/1022748949.db2.gz OWROAHPUOSIGSI-DLBZAZTESA-N 2 1 344.421 3.593 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@@H]1c1cccs1 ZINC000608059985 1022836792 /nfs/dbraw/zinc/83/67/92/1022836792.db2.gz UHTLKYYYMXFJTF-IFXJQAMLSA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@@H]1c1cccs1 ZINC000608059985 1022836806 /nfs/dbraw/zinc/83/68/06/1022836806.db2.gz UHTLKYYYMXFJTF-IFXJQAMLSA-N 2 1 340.496 3.797 20 0 EHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001167983795 1022941219 /nfs/dbraw/zinc/94/12/19/1022941219.db2.gz HRWAUQXSXZDNCW-CBQGHPETSA-N 2 1 345.575 3.590 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1Br ZINC000091467512 1022946066 /nfs/dbraw/zinc/94/60/66/1022946066.db2.gz DBZDDYPLQQUFDC-UHFFFAOYSA-N 2 1 325.294 3.720 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414950355 1022985126 /nfs/dbraw/zinc/98/51/26/1022985126.db2.gz ONCOAKPIKZLYTM-LPHOPBHVSA-N 2 1 340.467 3.504 20 0 EHADMP CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000438829457 1023047783 /nfs/dbraw/zinc/04/77/83/1023047783.db2.gz CQSUWACCWVXKNR-TZWRJOPASA-N 2 1 330.516 3.977 20 0 EHADMP Fc1ccc(Br)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197630 1033102268 /nfs/dbraw/zinc/10/22/68/1033102268.db2.gz IOMANBRURKDVEJ-MRXNPFEDSA-N 2 1 341.268 3.552 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000341712522 1023108128 /nfs/dbraw/zinc/10/81/28/1023108128.db2.gz QJGJEFGZNRINOA-NRFANRHFSA-N 2 1 335.451 3.992 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000438998511 1023211664 /nfs/dbraw/zinc/21/16/64/1023211664.db2.gz JJLHNYLMRCJKLB-MRXNPFEDSA-N 2 1 349.519 3.813 20 0 EHADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427109101 1023223091 /nfs/dbraw/zinc/22/30/91/1023223091.db2.gz GMAWEZQHOVZEBS-GHTZIAJQSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427109101 1023223101 /nfs/dbraw/zinc/22/31/01/1023223101.db2.gz GMAWEZQHOVZEBS-GHTZIAJQSA-N 2 1 340.442 3.589 20 0 EHADMP CCC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC[NH2+]CC1 ZINC000431083175 1023238255 /nfs/dbraw/zinc/23/82/55/1023238255.db2.gz XZMWKRGPINPPRC-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2cc(F)ccc2[nH+]1 ZINC000132570278 1023268068 /nfs/dbraw/zinc/26/80/68/1023268068.db2.gz ADGHWWPPRANRDP-HNNXBMFYSA-N 2 1 338.430 3.875 20 0 EHADMP CCCOc1cc(C[N@H+](C)C2CC[NH+](CCC)CC2)ccc1OC ZINC000092165732 1023361280 /nfs/dbraw/zinc/36/12/80/1023361280.db2.gz QEZMHJIXPLHJCS-UHFFFAOYSA-N 2 1 334.504 3.790 20 0 EHADMP CCCOc1cc(C[N@@H+](C)C2CC[NH+](CCC)CC2)ccc1OC ZINC000092165732 1023361289 /nfs/dbraw/zinc/36/12/89/1023361289.db2.gz QEZMHJIXPLHJCS-UHFFFAOYSA-N 2 1 334.504 3.790 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684569205 1023422593 /nfs/dbraw/zinc/42/25/93/1023422593.db2.gz YUMHIYPWLJPARZ-OWCLPIDISA-N 2 1 325.456 3.782 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449741107 1033141262 /nfs/dbraw/zinc/14/12/62/1033141262.db2.gz SNYADBHJRBIUJA-ICSRJNTNSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc(C)c1O ZINC000574459577 1033180197 /nfs/dbraw/zinc/18/01/97/1033180197.db2.gz HPPAHUBVPSSBMK-FQEVSTJZSA-N 2 1 338.495 3.963 20 0 EHADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCC(F)(F)CC1 ZINC000474070910 1024002914 /nfs/dbraw/zinc/00/29/14/1024002914.db2.gz AHWKZUJHKIPDHW-INIZCTEOSA-N 2 1 344.490 3.825 20 0 EHADMP COc1cccc(Cl)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000514114362 1024148954 /nfs/dbraw/zinc/14/89/54/1024148954.db2.gz FWMICRFYXPVJCW-KBXCAEBGSA-N 2 1 334.891 3.797 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1 ZINC000342120543 1024158021 /nfs/dbraw/zinc/15/80/21/1024158021.db2.gz FYVXMGXGXZJFSL-UHFFFAOYSA-N 2 1 332.451 3.510 20 0 EHADMP C[C@@H]1C[C@@H](NC(C)(C)CC[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022643 1024217278 /nfs/dbraw/zinc/21/72/78/1024217278.db2.gz UBTZZKUMKABWMS-OPVJXMOQSA-N 3 1 331.548 3.748 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044284 1024253147 /nfs/dbraw/zinc/25/31/47/1024253147.db2.gz GUCGIHNOWDZZMX-TZIWHRDSSA-N 2 1 330.516 3.790 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC001168004932 1024274544 /nfs/dbraw/zinc/27/45/44/1024274544.db2.gz CANUIBPODVDSHN-JLVBRIDZSA-N 2 1 329.513 3.983 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC001168004932 1024274550 /nfs/dbraw/zinc/27/45/50/1024274550.db2.gz CANUIBPODVDSHN-JLVBRIDZSA-N 2 1 329.513 3.983 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000113513566 1024321932 /nfs/dbraw/zinc/32/19/32/1024321932.db2.gz WLJHSQLIFCGGAX-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000443651486 1024338578 /nfs/dbraw/zinc/33/85/78/1024338578.db2.gz FBSLEHGMTLKNQQ-OAHLLOKOSA-N 2 1 326.406 3.932 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006285 1024397901 /nfs/dbraw/zinc/39/79/01/1024397901.db2.gz MSOUFWUVUHIUMB-GMQQQROESA-N 2 1 338.495 3.751 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006285 1024397913 /nfs/dbraw/zinc/39/79/13/1024397913.db2.gz MSOUFWUVUHIUMB-GMQQQROESA-N 2 1 338.495 3.751 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000346144100 1024444024 /nfs/dbraw/zinc/44/40/24/1024444024.db2.gz BPWOHAOVOKRTQZ-LAUBAEHRSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2cccnc12 ZINC000346166376 1024481081 /nfs/dbraw/zinc/48/10/81/1024481081.db2.gz IWHPILVLDHAONU-CTNGQTDRSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166376 1024481084 /nfs/dbraw/zinc/48/10/84/1024481084.db2.gz IWHPILVLDHAONU-CTNGQTDRSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166376 1024481089 /nfs/dbraw/zinc/48/10/89/1024481089.db2.gz IWHPILVLDHAONU-CTNGQTDRSA-N 2 1 335.495 3.992 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@@H](C)c2ccccc2)C2CC2)CC1 ZINC000283191677 1024482595 /nfs/dbraw/zinc/48/25/95/1024482595.db2.gz FSBORLQSWOGAID-IBGZPJMESA-N 2 1 329.532 3.628 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000343327933 1024498450 /nfs/dbraw/zinc/49/84/50/1024498450.db2.gz WTWZDADTHONAIH-FOIQADDNSA-N 2 1 338.430 3.741 20 0 EHADMP Cc1cc(C)c(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001167505540 1024506186 /nfs/dbraw/zinc/50/61/86/1024506186.db2.gz UGQPBIMHWHIVLW-OAQYLSRUSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001167505540 1024506194 /nfs/dbraw/zinc/50/61/94/1024506194.db2.gz UGQPBIMHWHIVLW-OAQYLSRUSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001167505540 1024506200 /nfs/dbraw/zinc/50/62/00/1024506200.db2.gz UGQPBIMHWHIVLW-OAQYLSRUSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC001167505540 1024506209 /nfs/dbraw/zinc/50/62/09/1024506209.db2.gz UGQPBIMHWHIVLW-OAQYLSRUSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001167505540 1024506216 /nfs/dbraw/zinc/50/62/16/1024506216.db2.gz UGQPBIMHWHIVLW-OAQYLSRUSA-N 2 1 337.511 3.961 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2C2CCCCC2)C[C@H]1C ZINC000346194098 1024514717 /nfs/dbraw/zinc/51/47/17/1024514717.db2.gz XSWNXWYSNFTTRI-VQIMIIECSA-N 2 1 332.536 3.772 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1C(F)F ZINC000895479254 1024551780 /nfs/dbraw/zinc/55/17/80/1024551780.db2.gz NWVXCTNSGYZZEF-OAHLLOKOSA-N 2 1 326.406 3.975 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1C(F)F ZINC000895479254 1024551788 /nfs/dbraw/zinc/55/17/88/1024551788.db2.gz NWVXCTNSGYZZEF-OAHLLOKOSA-N 2 1 326.406 3.975 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)[C@H](C)C1 ZINC000163501112 1033219323 /nfs/dbraw/zinc/21/93/23/1033219323.db2.gz OEOLFVGDPOVHIR-UIAACRFSSA-N 2 1 334.479 3.540 20 0 EHADMP CC[C@H]1C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCO1 ZINC000435059380 1024587909 /nfs/dbraw/zinc/58/79/09/1024587909.db2.gz HRDXJBGNHYXLFO-LPHOPBHVSA-N 2 1 331.504 3.604 20 0 EHADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000346311988 1024638041 /nfs/dbraw/zinc/63/80/41/1024638041.db2.gz OEJHGBDBGXYTMX-UHFFFAOYSA-N 2 1 326.419 3.692 20 0 EHADMP CC1(C)CC([NH2+]Cc2cc(F)ccc2OC(F)F)CC(C)(C)[NH2+]1 ZINC000657292145 1024639765 /nfs/dbraw/zinc/63/97/65/1024639765.db2.gz FFAHODNAOXBGOY-UHFFFAOYSA-N 2 1 330.394 3.826 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H]2CCC[C@H]21 ZINC000514878231 1024821262 /nfs/dbraw/zinc/82/12/62/1024821262.db2.gz VAPOEQPDGNTSRW-HBMCJLEFSA-N 2 1 342.527 3.788 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895788793 1024833179 /nfs/dbraw/zinc/83/31/79/1024833179.db2.gz HHLNZUBHOCTPKK-NRSPTQNISA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895788793 1024833200 /nfs/dbraw/zinc/83/32/00/1024833200.db2.gz HHLNZUBHOCTPKK-NRSPTQNISA-N 2 1 340.511 3.903 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249094 1024860431 /nfs/dbraw/zinc/86/04/31/1024860431.db2.gz JRLJHKAJCMABRL-AWEZNQCLSA-N 2 1 329.513 3.964 20 0 EHADMP c1ccc(C[N@H+](Cc2cccc3cccnc32)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435393367 1024880212 /nfs/dbraw/zinc/88/02/12/1024880212.db2.gz JJUFWVSNNDCOGS-OAQYLSRUSA-N 2 1 346.478 3.774 20 0 EHADMP c1ccc(C[N@@H+](Cc2cccc3cccnc32)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435393367 1024880228 /nfs/dbraw/zinc/88/02/28/1024880228.db2.gz JJUFWVSNNDCOGS-OAQYLSRUSA-N 2 1 346.478 3.774 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000281335460 1024910225 /nfs/dbraw/zinc/91/02/25/1024910225.db2.gz UFQWEJPUZKHMHN-DZGCQCFKSA-N 2 1 326.406 3.710 20 0 EHADMP CCc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435441097 1024927263 /nfs/dbraw/zinc/92/72/63/1024927263.db2.gz CZSRNPBLVZGVFV-GOSISDBHSA-N 2 1 341.524 3.850 20 0 EHADMP CCc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435441097 1024927269 /nfs/dbraw/zinc/92/72/69/1024927269.db2.gz CZSRNPBLVZGVFV-GOSISDBHSA-N 2 1 341.524 3.850 20 0 EHADMP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)c2cccs2)cc1 ZINC000665254574 1024964474 /nfs/dbraw/zinc/96/44/74/1024964474.db2.gz UGKMLHNUIKZEAI-WBAXXEDZSA-N 2 1 330.497 3.943 20 0 EHADMP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)c2cccs2)cc1 ZINC000665254573 1024965017 /nfs/dbraw/zinc/96/50/17/1024965017.db2.gz UGKMLHNUIKZEAI-JLSDUUJJSA-N 2 1 330.497 3.943 20 0 EHADMP C[NH+](C)CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000151936806 1025007016 /nfs/dbraw/zinc/00/70/16/1025007016.db2.gz WBLPFIBSXVTCSG-CYBMUJFWSA-N 2 1 329.307 3.527 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346689732 1025017258 /nfs/dbraw/zinc/01/72/58/1025017258.db2.gz SMVYSBVLYGMSKA-RDJZCZTQSA-N 2 1 328.431 3.574 20 0 EHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346694490 1025019545 /nfs/dbraw/zinc/01/95/45/1025019545.db2.gz UOQLVXXDHSEDIQ-AWEZNQCLSA-N 2 1 336.373 3.572 20 0 EHADMP CC[C@H](C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000474480867 1025028092 /nfs/dbraw/zinc/02/80/92/1025028092.db2.gz VBQIAUGFYOTBQG-JFIYKMOQSA-N 2 1 334.504 3.660 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000428232517 1025067843 /nfs/dbraw/zinc/06/78/43/1025067843.db2.gz ZVANXAFBYXGXSP-BDTNDASRSA-N 2 1 335.495 3.862 20 0 EHADMP Cc1ccc(CC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435686530 1025067884 /nfs/dbraw/zinc/06/78/84/1025067884.db2.gz VYSGPNLKDSZBBZ-GOSISDBHSA-N 2 1 341.524 3.638 20 0 EHADMP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000515300685 1025161750 /nfs/dbraw/zinc/16/17/50/1025161750.db2.gz WRXFQOBEIPSSRG-ZDUSSCGKSA-N 2 1 330.369 3.666 20 0 EHADMP C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000342402256 1025213177 /nfs/dbraw/zinc/21/31/77/1025213177.db2.gz CVYAJXWCRVRMRQ-BRWVUGGUSA-N 2 1 343.515 3.523 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C[C@@H]12 ZINC000346856799 1025246084 /nfs/dbraw/zinc/24/60/84/1025246084.db2.gz PPWAOUQNEJHQBX-LDQXTDLNSA-N 2 1 340.442 3.574 20 0 EHADMP C[C@@H](CC[NH2+][C@H](Cc1ccccn1)c1cccnc1)[NH+]1CCCCC1 ZINC000346881725 1025251723 /nfs/dbraw/zinc/25/17/23/1025251723.db2.gz XPVFXIGDPHMFQV-GHTZIAJQSA-N 2 1 338.499 3.615 20 0 EHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(C(C)(C)C)CC3)CC2)C1 ZINC000607734534 1033274543 /nfs/dbraw/zinc/27/45/43/1033274543.db2.gz IEPBKWKARMLVLR-SOAGJPPSSA-N 2 1 335.580 3.551 20 0 EHADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000442712569 1025438648 /nfs/dbraw/zinc/43/86/48/1025438648.db2.gz UXEODQPEKMKABZ-IBGZPJMESA-N 2 1 345.490 3.673 20 0 EHADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000442712569 1025438654 /nfs/dbraw/zinc/43/86/54/1025438654.db2.gz UXEODQPEKMKABZ-IBGZPJMESA-N 2 1 345.490 3.673 20 0 EHADMP CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000347064401 1025475802 /nfs/dbraw/zinc/47/58/02/1025475802.db2.gz KAKWPNDTRJIZGE-JWTNVVGKSA-N 2 1 332.488 3.589 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000347064401 1025475812 /nfs/dbraw/zinc/47/58/12/1025475812.db2.gz KAKWPNDTRJIZGE-JWTNVVGKSA-N 2 1 332.488 3.589 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767394 1025480136 /nfs/dbraw/zinc/48/01/36/1025480136.db2.gz YMSBLRMJCVKPMC-ROUUACIJSA-N 2 1 346.478 3.708 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](F)(CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041838 1025488424 /nfs/dbraw/zinc/48/84/24/1025488424.db2.gz WJMMVUAWAMKNGC-DBXWQHBBSA-N 2 1 348.506 3.615 20 0 EHADMP CCC[N@@H+](Cc1cc(Cl)c(OCC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347093198 1025488993 /nfs/dbraw/zinc/48/89/93/1025488993.db2.gz GSHZUUFMJVHUJP-UHFFFAOYSA-N 2 1 340.895 3.711 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000530224693 1025499460 /nfs/dbraw/zinc/49/94/60/1025499460.db2.gz WOTOOMJGQBMEDH-LHSJRXKWSA-N 2 1 339.458 3.706 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000442875375 1025532500 /nfs/dbraw/zinc/53/25/00/1025532500.db2.gz ODURMICVFYFVJL-ZDUSSCGKSA-N 2 1 344.330 3.670 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297014 1025561900 /nfs/dbraw/zinc/56/19/00/1025561900.db2.gz LMGZLNZAAXPNFP-ZFZWDLNGSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297014 1025561910 /nfs/dbraw/zinc/56/19/10/1025561910.db2.gz LMGZLNZAAXPNFP-ZFZWDLNGSA-N 2 1 326.406 3.881 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000443066770 1025686289 /nfs/dbraw/zinc/68/62/89/1025686289.db2.gz SEOJODJTBGTTAS-LJQANCHMSA-N 2 1 338.495 3.853 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639252361 1025716214 /nfs/dbraw/zinc/71/62/14/1025716214.db2.gz HHEVCLWNFFKQKZ-CWJKEVGVSA-N 2 1 328.500 3.902 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639252361 1025716230 /nfs/dbraw/zinc/71/62/30/1025716230.db2.gz HHEVCLWNFFKQKZ-CWJKEVGVSA-N 2 1 328.500 3.902 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000530394394 1025745813 /nfs/dbraw/zinc/74/58/13/1025745813.db2.gz GCJQDOWYFSZVSM-SFHVURJKSA-N 2 1 349.950 3.503 20 0 EHADMP COCc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000657387089 1025782610 /nfs/dbraw/zinc/78/26/10/1025782610.db2.gz PXCKFVWWIVZYQQ-OXJNMPFZSA-N 2 1 344.524 3.895 20 0 EHADMP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000657387089 1025782626 /nfs/dbraw/zinc/78/26/26/1025782626.db2.gz PXCKFVWWIVZYQQ-OXJNMPFZSA-N 2 1 344.524 3.895 20 0 EHADMP CCCn1nccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000657398049 1025923733 /nfs/dbraw/zinc/92/37/33/1025923733.db2.gz HWUVCWQPJRUQEH-QZTJIDSGSA-N 2 1 340.515 3.539 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1)CC(C)C ZINC000428304798 1025929637 /nfs/dbraw/zinc/92/96/37/1025929637.db2.gz ZDEIEPOFMWOICK-SFHVURJKSA-N 2 1 332.536 3.926 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000530666191 1026184082 /nfs/dbraw/zinc/18/40/82/1026184082.db2.gz XOAWKOIINFLRAH-UHFFFAOYSA-N 2 1 344.421 3.890 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000530666191 1026184083 /nfs/dbraw/zinc/18/40/83/1026184083.db2.gz XOAWKOIINFLRAH-UHFFFAOYSA-N 2 1 344.421 3.890 20 0 EHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057901 1026314075 /nfs/dbraw/zinc/31/40/75/1026314075.db2.gz OIAHJWQGQIFRED-IRFCIJBXSA-N 2 1 343.559 3.843 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000530901464 1026385458 /nfs/dbraw/zinc/38/54/58/1026385458.db2.gz BJJLYKPIMYCGOM-HIFRSBDPSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000530901464 1026385474 /nfs/dbraw/zinc/38/54/74/1026385474.db2.gz BJJLYKPIMYCGOM-HIFRSBDPSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000530901464 1026385489 /nfs/dbraw/zinc/38/54/89/1026385489.db2.gz BJJLYKPIMYCGOM-HIFRSBDPSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901496 1026387898 /nfs/dbraw/zinc/38/78/98/1026387898.db2.gz DHJUQSMWDGYVLK-TZMCWYRMSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901496 1026387911 /nfs/dbraw/zinc/38/79/11/1026387911.db2.gz DHJUQSMWDGYVLK-TZMCWYRMSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901496 1026387924 /nfs/dbraw/zinc/38/79/24/1026387924.db2.gz DHJUQSMWDGYVLK-TZMCWYRMSA-N 2 1 343.284 3.893 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452061116 1026471479 /nfs/dbraw/zinc/47/14/79/1026471479.db2.gz OOLJYJNZNLPSEQ-KRWDZBQOSA-N 2 1 333.501 3.527 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000159104812 1026490325 /nfs/dbraw/zinc/49/03/25/1026490325.db2.gz DVVNUECMWXHJMN-CQSZACIVSA-N 2 1 340.508 3.699 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C3CCC3)no2)CC1)CC1CC1 ZINC000639559482 1026504696 /nfs/dbraw/zinc/50/46/96/1026504696.db2.gz WQGUKQBIMIIAAW-UHFFFAOYSA-N 2 1 346.519 3.671 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C3CCC3)no2)CC1)CC1CC1 ZINC000639559482 1026504702 /nfs/dbraw/zinc/50/47/02/1026504702.db2.gz WQGUKQBIMIIAAW-UHFFFAOYSA-N 2 1 346.519 3.671 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4noc5ccccc45)[C@@H]3C2)cc1 ZINC000582556685 1026582305 /nfs/dbraw/zinc/58/23/05/1026582305.db2.gz MZSZJAYWYAZRMJ-SXLOBPIMSA-N 2 1 347.462 3.828 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4noc5ccccc45)[C@@H]3C2)cc1 ZINC000582556685 1026582312 /nfs/dbraw/zinc/58/23/12/1026582312.db2.gz MZSZJAYWYAZRMJ-SXLOBPIMSA-N 2 1 347.462 3.828 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000531143620 1026626626 /nfs/dbraw/zinc/62/66/26/1026626626.db2.gz BBINMXCDKSCVSB-GOEBONIOSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000531143620 1026626635 /nfs/dbraw/zinc/62/66/35/1026626635.db2.gz BBINMXCDKSCVSB-GOEBONIOSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143620 1026626642 /nfs/dbraw/zinc/62/66/42/1026626642.db2.gz BBINMXCDKSCVSB-GOEBONIOSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143620 1026626647 /nfs/dbraw/zinc/62/66/47/1026626647.db2.gz BBINMXCDKSCVSB-GOEBONIOSA-N 2 1 344.421 3.889 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NCC2CC[NH+](C)CC2)c1 ZINC000892269531 1026706676 /nfs/dbraw/zinc/70/66/76/1026706676.db2.gz AFOZGKMCIINMNJ-UHFFFAOYSA-N 2 1 326.488 3.809 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598532 1026937844 /nfs/dbraw/zinc/93/78/44/1026937844.db2.gz ICZVTUDIRAPCGQ-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598532 1026937849 /nfs/dbraw/zinc/93/78/49/1026937849.db2.gz ICZVTUDIRAPCGQ-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598532 1026937851 /nfs/dbraw/zinc/93/78/51/1026937851.db2.gz ICZVTUDIRAPCGQ-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598532 1026937861 /nfs/dbraw/zinc/93/78/61/1026937861.db2.gz ICZVTUDIRAPCGQ-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP CCOCCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272894970 1027167082 /nfs/dbraw/zinc/16/70/82/1027167082.db2.gz ZUIZDUPDYAZLSX-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)c2c1 ZINC000664237652 1027172334 /nfs/dbraw/zinc/17/23/34/1027172334.db2.gz STARRTQRDGYTAB-HXUWFJFHSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)c2c1 ZINC000664237652 1027172347 /nfs/dbraw/zinc/17/23/47/1027172347.db2.gz STARRTQRDGYTAB-HXUWFJFHSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000127330032 1027297506 /nfs/dbraw/zinc/29/75/06/1027297506.db2.gz LSNWIKNOTYHLIW-UHFFFAOYSA-N 2 1 338.455 3.801 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000127330032 1027297523 /nfs/dbraw/zinc/29/75/23/1027297523.db2.gz LSNWIKNOTYHLIW-UHFFFAOYSA-N 2 1 338.455 3.801 20 0 EHADMP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657563343 1027301916 /nfs/dbraw/zinc/30/19/16/1027301916.db2.gz MNCGJAQPTTZNKU-LJQANCHMSA-N 2 1 349.950 3.767 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657563343 1027301929 /nfs/dbraw/zinc/30/19/29/1027301929.db2.gz MNCGJAQPTTZNKU-LJQANCHMSA-N 2 1 349.950 3.767 20 0 EHADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453146195 1027411296 /nfs/dbraw/zinc/41/12/96/1027411296.db2.gz SRBWFVGMIVJASA-ZGJYDULXSA-N 2 1 342.527 3.570 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000897473429 1027417850 /nfs/dbraw/zinc/41/78/50/1027417850.db2.gz YUKQUPLQBHXVLI-XYPHTWIQSA-N 2 1 337.305 3.769 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000453151292 1027422993 /nfs/dbraw/zinc/42/29/93/1027422993.db2.gz SZDIPSLKQBDRNM-MSEOUXRUSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453129529 1027426784 /nfs/dbraw/zinc/42/67/84/1027426784.db2.gz RHJRQERRKWISBN-INIZCTEOSA-N 2 1 337.471 3.723 20 0 EHADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453128765 1027430513 /nfs/dbraw/zinc/43/05/13/1027430513.db2.gz QWOQARSJTLHNKI-PPGORRQASA-N 2 1 342.527 3.570 20 0 EHADMP CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000453130744 1027432496 /nfs/dbraw/zinc/43/24/96/1027432496.db2.gz SOHBMDPALVAYDB-HSALFYBXSA-N 2 1 344.524 3.672 20 0 EHADMP CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000453130744 1027432503 /nfs/dbraw/zinc/43/25/03/1027432503.db2.gz SOHBMDPALVAYDB-HSALFYBXSA-N 2 1 344.524 3.672 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000420320741 1027466902 /nfs/dbraw/zinc/46/69/02/1027466902.db2.gz YZQJWNWGUAXBNM-CYBMUJFWSA-N 2 1 335.439 3.596 20 0 EHADMP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420363727 1027489002 /nfs/dbraw/zinc/48/90/02/1027489002.db2.gz CEABBJIRWFHEPZ-LRDDRELGSA-N 2 1 341.268 3.725 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000420366616 1027490567 /nfs/dbraw/zinc/49/05/67/1027490567.db2.gz GGCLCULKZDUCOB-HOCLYGCPSA-N 2 1 344.421 3.648 20 0 EHADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453173010 1027492815 /nfs/dbraw/zinc/49/28/15/1027492815.db2.gz YFNGLBIQLZAMOI-PWRODBHTSA-N 2 1 342.527 3.572 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CCC2CC[NH2+]CC2)C3)cs1 ZINC000420368804 1027494695 /nfs/dbraw/zinc/49/46/95/1027494695.db2.gz IKOISYOCWOVDPJ-UHFFFAOYSA-N 2 1 347.553 3.928 20 0 EHADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000420376643 1027514366 /nfs/dbraw/zinc/51/43/66/1027514366.db2.gz QXGZZHZDEUPDPT-MRXNPFEDSA-N 2 1 326.406 3.884 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)C1 ZINC000657595270 1027567136 /nfs/dbraw/zinc/56/71/36/1027567136.db2.gz NVNQDSBIZXCGQA-QHCPKHFHSA-N 2 1 346.474 3.696 20 0 EHADMP Cc1cc(Cl)ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595812 1027571785 /nfs/dbraw/zinc/57/17/85/1027571785.db2.gz KHVAUAFFVIBLEQ-FQEVSTJZSA-N 2 1 344.886 3.505 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130210611 1027647286 /nfs/dbraw/zinc/64/72/86/1027647286.db2.gz VTEMGYZPUFOPPO-AWEZNQCLSA-N 2 1 329.513 3.934 20 0 EHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342856296 1027678081 /nfs/dbraw/zinc/67/80/81/1027678081.db2.gz DRQGAMMVLNBZJS-RXVVDRJESA-N 2 1 340.515 3.739 20 0 EHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342856296 1027678091 /nfs/dbraw/zinc/67/80/91/1027678091.db2.gz DRQGAMMVLNBZJS-RXVVDRJESA-N 2 1 340.515 3.739 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414660476 1027739510 /nfs/dbraw/zinc/73/95/10/1027739510.db2.gz OGIRSOGAKJESCE-IRXDYDNUSA-N 2 1 340.515 3.729 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414685649 1027887693 /nfs/dbraw/zinc/88/76/93/1027887693.db2.gz DCMPTHMFICPZSX-VQIMIIECSA-N 2 1 340.515 3.617 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414685647 1027888766 /nfs/dbraw/zinc/88/87/66/1027888766.db2.gz DCMPTHMFICPZSX-LPHOPBHVSA-N 2 1 340.515 3.617 20 0 EHADMP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000422748316 1027917491 /nfs/dbraw/zinc/91/74/91/1027917491.db2.gz UAFHOUHXLKPUNF-LIRRHRJNSA-N 2 1 346.906 3.881 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ccccc21 ZINC000422804715 1027953102 /nfs/dbraw/zinc/95/31/02/1027953102.db2.gz KYXUQCQFMQKFGF-IAGOWNOFSA-N 2 1 336.357 3.862 20 0 EHADMP COc1cccc(C([NH2+][C@@H](C)C[C@H](C)[NH3+])c2cccc(OC)c2)c1 ZINC000422817916 1027984225 /nfs/dbraw/zinc/98/42/25/1027984225.db2.gz FGHFQXHBNGFWDL-GJZGRUSLSA-N 2 1 328.456 3.509 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862049 1027998059 /nfs/dbraw/zinc/99/80/59/1027998059.db2.gz NHFDURAHNAEREB-WJFTUGDTSA-N 2 1 335.561 3.641 20 0 EHADMP CC(C)c1csc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422892030 1028025165 /nfs/dbraw/zinc/02/51/65/1028025165.db2.gz LUZCRCHZOVYDPL-KXBFYZLASA-N 2 1 343.496 3.612 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422914257 1028046565 /nfs/dbraw/zinc/04/65/65/1028046565.db2.gz SMCMGYGLALMQHB-RKTXRCNFSA-N 2 1 342.512 3.776 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000502268874 1028066615 /nfs/dbraw/zinc/06/66/15/1028066615.db2.gz NPKAYFSQRVFUBM-ZWKOTPCHSA-N 2 1 348.531 3.797 20 0 EHADMP Brc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000533534596 1028066878 /nfs/dbraw/zinc/06/68/78/1028066878.db2.gz SVSPUXLWIJZDFB-MAUKXSAKSA-N 2 1 349.316 3.898 20 0 EHADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422963140 1028076995 /nfs/dbraw/zinc/07/69/95/1028076995.db2.gz HQTBLRKONPMVJQ-SLFFLAALSA-N 2 1 343.515 3.803 20 0 EHADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444621318 1028093245 /nfs/dbraw/zinc/09/32/45/1028093245.db2.gz YXXXBXDCIMXSTG-LJQANCHMSA-N 2 1 340.515 3.685 20 0 EHADMP Cc1cccc([C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)c1 ZINC000423024374 1028132689 /nfs/dbraw/zinc/13/26/89/1028132689.db2.gz LQGUOEDXONVLAO-JTSKRJEESA-N 2 1 346.478 3.992 20 0 EHADMP Cc1cccc([C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)c1 ZINC000423024376 1028133642 /nfs/dbraw/zinc/13/36/42/1028133642.db2.gz LQGUOEDXONVLAO-VGSWGCGISA-N 2 1 346.478 3.992 20 0 EHADMP Cc1noc(C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c2ccccc2)n1 ZINC000423071331 1028161679 /nfs/dbraw/zinc/16/16/79/1028161679.db2.gz FIOAZWMWPXFDPS-LZQZEXGQSA-N 2 1 342.487 3.562 20 0 EHADMP C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000246314318 1028205130 /nfs/dbraw/zinc/20/51/30/1028205130.db2.gz DXPBLVHPFHJIGG-HPFXQQBRSA-N 2 1 329.513 3.950 20 0 EHADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423149282 1028210814 /nfs/dbraw/zinc/21/08/14/1028210814.db2.gz AJZXIKIZCAMCIW-SOUVJXGZSA-N 2 1 327.394 3.501 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CCC(C(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423168067 1028238387 /nfs/dbraw/zinc/23/83/87/1028238387.db2.gz GLDSBTGPLLJMEQ-NANBGGJNSA-N 2 1 338.442 3.902 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1-c1ccc(F)cc1 ZINC000423176852 1028248024 /nfs/dbraw/zinc/24/80/24/1028248024.db2.gz ICRPVAJDRIZNBK-AWEZNQCLSA-N 2 1 330.451 3.632 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423181308 1028249477 /nfs/dbraw/zinc/24/94/77/1028249477.db2.gz OTFVPSDMRSHCEF-MRXNPFEDSA-N 2 1 346.519 3.873 20 0 EHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000421331426 1028275422 /nfs/dbraw/zinc/27/54/22/1028275422.db2.gz JSDLTMMDBMPMDD-UHFFFAOYSA-N 2 1 336.479 3.686 20 0 EHADMP COc1ccc2c(c1)[C@@H](NC[C@H]([NH3+])c1ccccc1)CCCS2 ZINC000423243747 1028306405 /nfs/dbraw/zinc/30/64/05/1028306405.db2.gz MZOOIZUUMZZQMB-ROUUACIJSA-N 2 1 328.481 3.912 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC([NH3+])(CC)CC)cc1 ZINC000423286876 1028327078 /nfs/dbraw/zinc/32/70/78/1028327078.db2.gz JEUTZEDYAJWTEY-HNNXBMFYSA-N 2 1 334.508 3.728 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1cc(C)c(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000414730666 1028334630 /nfs/dbraw/zinc/33/46/30/1028334630.db2.gz SRVLNGBRPJXIFN-GOSISDBHSA-N 2 1 343.540 3.988 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1cc(C)c(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000414730666 1028334647 /nfs/dbraw/zinc/33/46/47/1028334647.db2.gz SRVLNGBRPJXIFN-GOSISDBHSA-N 2 1 343.540 3.988 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000423352627 1028381748 /nfs/dbraw/zinc/38/17/48/1028381748.db2.gz AAVWZYZDZDVKID-SJLPKXTDSA-N 2 1 326.488 3.590 20 0 EHADMP O[C@@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979740 1028401484 /nfs/dbraw/zinc/40/14/84/1028401484.db2.gz MBZQWFAKEAPMGT-UXHICEINSA-N 2 1 334.479 3.590 20 0 EHADMP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000523559258 1028417650 /nfs/dbraw/zinc/41/76/50/1028417650.db2.gz NFEAEBYYTQAFGD-GOSISDBHSA-N 2 1 330.516 3.781 20 0 EHADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000523559258 1028417662 /nfs/dbraw/zinc/41/76/62/1028417662.db2.gz NFEAEBYYTQAFGD-GOSISDBHSA-N 2 1 330.516 3.781 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]1 ZINC000414744148 1028442400 /nfs/dbraw/zinc/44/24/00/1028442400.db2.gz HXEDIVIZXVXCPV-RBSFLKMASA-N 2 1 331.435 3.534 20 0 EHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423439677 1028446588 /nfs/dbraw/zinc/44/65/88/1028446588.db2.gz HWQOGHWXTUSHBK-VGMNWLOBSA-N 2 1 339.199 3.854 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2sc(Br)cc21)C1CCCC1 ZINC000423499986 1028467497 /nfs/dbraw/zinc/46/74/97/1028467497.db2.gz JYIRFZOHNIGVDB-VXGBXAGGSA-N 2 1 329.307 3.605 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccccc1 ZINC000423505620 1028470055 /nfs/dbraw/zinc/47/00/55/1028470055.db2.gz OOVPTUUMBUHDSV-OXQOHEQNSA-N 2 1 349.482 3.707 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000423487947 1028478053 /nfs/dbraw/zinc/47/80/53/1028478053.db2.gz UYCPITFVTBSSKI-LRSLUSHPSA-N 3 1 341.543 3.551 20 0 EHADMP c1ccc(CN2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000423487947 1028478062 /nfs/dbraw/zinc/47/80/62/1028478062.db2.gz UYCPITFVTBSSKI-LRSLUSHPSA-N 2 1 341.543 3.551 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423510651 1028488088 /nfs/dbraw/zinc/48/80/88/1028488088.db2.gz MWOZRVULIMXGNW-IPJUCJBFSA-N 2 1 347.572 3.666 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cnn1C(C)C ZINC000423534065 1028488119 /nfs/dbraw/zinc/48/81/19/1028488119.db2.gz ZKJNRDFTVZQEHN-ZXJCKZHESA-N 2 1 330.520 3.577 20 0 EHADMP COc1ccc(OC)c([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423516605 1028492678 /nfs/dbraw/zinc/49/26/78/1028492678.db2.gz AVJHVOKPSGBTGV-XMYZRKPFSA-N 2 1 344.499 3.508 20 0 EHADMP Cc1nc(-c2ccc([C@H](C)[NH2+]CCc3c[nH+]cn3C)cc2)cs1 ZINC000459388336 1028538476 /nfs/dbraw/zinc/53/84/76/1028538476.db2.gz FKIITWRHYFXDFB-ZDUSSCGKSA-N 2 1 326.469 3.745 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1C ZINC000502696887 1028567465 /nfs/dbraw/zinc/56/74/65/1028567465.db2.gz MHFPOOBNRUKWBS-SFHVURJKSA-N 2 1 340.515 3.955 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135625 1028585342 /nfs/dbraw/zinc/58/53/42/1028585342.db2.gz PPXOYGNRAPVVOA-RDJZCZTQSA-N 2 1 329.875 3.908 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1cc2ccccc2[nH]c1=O)Cc1ccccc1 ZINC000237088497 1028619933 /nfs/dbraw/zinc/61/99/33/1028619933.db2.gz HOJIEYFKHLCUMO-UHFFFAOYSA-N 2 1 335.451 3.552 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1cc2ccccc2[nH]c1=O)Cc1ccccc1 ZINC000237088497 1028619938 /nfs/dbraw/zinc/61/99/38/1028619938.db2.gz HOJIEYFKHLCUMO-UHFFFAOYSA-N 2 1 335.451 3.552 20 0 EHADMP Cc1nccn1CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246624967 1028670700 /nfs/dbraw/zinc/67/07/00/1028670700.db2.gz QVXSMOMHAFGAEW-QUCCMNQESA-N 3 1 332.536 3.558 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624967 1028670710 /nfs/dbraw/zinc/67/07/10/1028670710.db2.gz QVXSMOMHAFGAEW-QUCCMNQESA-N 3 1 332.536 3.558 20 0 EHADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624967 1028670713 /nfs/dbraw/zinc/67/07/13/1028670713.db2.gz QVXSMOMHAFGAEW-QUCCMNQESA-N 3 1 332.536 3.558 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624967 1028670722 /nfs/dbraw/zinc/67/07/22/1028670722.db2.gz QVXSMOMHAFGAEW-QUCCMNQESA-N 3 1 332.536 3.558 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624967 1028670723 /nfs/dbraw/zinc/67/07/23/1028670723.db2.gz QVXSMOMHAFGAEW-QUCCMNQESA-N 3 1 332.536 3.558 20 0 EHADMP Cc1cccc(C)c1OC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000459381022 1028672988 /nfs/dbraw/zinc/67/29/88/1028672988.db2.gz BXNBLXQWNWSTLB-NRFANRHFSA-N 2 1 349.478 3.989 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247129495 1028748748 /nfs/dbraw/zinc/74/87/48/1028748748.db2.gz RPURJDCSWSLNAD-SJORKVTESA-N 2 1 340.515 3.811 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246933861 1028749639 /nfs/dbraw/zinc/74/96/39/1028749639.db2.gz HHECAWHUFROVLY-LZLYRXPVSA-N 2 1 335.923 3.547 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccccc2OC)[C@H](C)C1 ZINC000247213940 1028760908 /nfs/dbraw/zinc/76/09/08/1028760908.db2.gz XDZRXUSFQCGXRR-RLLQIKCJSA-N 2 1 348.531 3.873 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000421863427 1028857845 /nfs/dbraw/zinc/85/78/45/1028857845.db2.gz WMHMHXAHJDPBHH-MAHYXTOZSA-N 2 1 330.516 3.977 20 0 EHADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502921189 1028869448 /nfs/dbraw/zinc/86/94/48/1028869448.db2.gz ULGBSMMARXXDNN-MJGOQNOKSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502921189 1028869470 /nfs/dbraw/zinc/86/94/70/1028869470.db2.gz ULGBSMMARXXDNN-MJGOQNOKSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502921189 1028869480 /nfs/dbraw/zinc/86/94/80/1028869480.db2.gz ULGBSMMARXXDNN-MJGOQNOKSA-N 2 1 331.504 3.600 20 0 EHADMP C([NH+]1CCC[C@H]1C1CCC1)C1(C[N@H+]2CCC[C@H]2C2CCC2)COC1 ZINC000248419706 1028898368 /nfs/dbraw/zinc/89/83/68/1028898368.db2.gz LFIXGLBXNRYXMN-PMACEKPBSA-N 2 1 332.532 3.532 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248429163 1028900252 /nfs/dbraw/zinc/90/02/52/1028900252.db2.gz BCUCJBAHLSGICY-IAGOWNOFSA-N 2 1 331.504 3.950 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248435252 1028902863 /nfs/dbraw/zinc/90/28/63/1028902863.db2.gz FMCRTMFKPYNBOW-CRAIPNDOSA-N 2 1 344.524 3.728 20 0 EHADMP C[N@H+]1CCC[C@H](CNCc2cc(O)cc(F)c2)[C@H]1c1cccs1 ZINC000248629431 1028928060 /nfs/dbraw/zinc/92/80/60/1028928060.db2.gz GOXIDKOZBUFZLF-KDOFPFPSSA-N 2 1 334.460 3.766 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424287126 1028928817 /nfs/dbraw/zinc/92/88/17/1028928817.db2.gz IOXJEONBQLPCMF-MRXNPFEDSA-N 2 1 328.500 3.778 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424289288 1028931144 /nfs/dbraw/zinc/93/11/44/1028931144.db2.gz BVMLPLMTBSSBPT-ROUUACIJSA-N 2 1 329.513 3.748 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1Oc1cccnc1)CC[NH2+]CC2 ZINC000424283786 1028958750 /nfs/dbraw/zinc/95/87/50/1028958750.db2.gz CBTNPYBKPYQOJS-KRWDZBQOSA-N 2 1 337.467 3.838 20 0 EHADMP CS[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000445607314 1028971539 /nfs/dbraw/zinc/97/15/39/1028971539.db2.gz GEVSNECFYDLRMD-ZWKOTPCHSA-N 2 1 347.915 3.904 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414782332 1028974046 /nfs/dbraw/zinc/97/40/46/1028974046.db2.gz OLBTVXYMIZGGOD-CVEARBPZSA-N 2 1 344.890 3.552 20 0 EHADMP CS[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1[NH+]1CCCC1 ZINC000445610762 1028986846 /nfs/dbraw/zinc/98/68/46/1028986846.db2.gz RXLWNBZHXPYXGF-MSOLQXFVSA-N 2 1 347.915 3.904 20 0 EHADMP COc1ccc([C@@H](NCC[C@@H]2CCC[N@H+]2C)c2ccc(F)cc2)cc1 ZINC000503073051 1029027759 /nfs/dbraw/zinc/02/77/59/1029027759.db2.gz MJYDRCKJRGZMPS-FPOVZHCZSA-N 2 1 342.458 3.998 20 0 EHADMP C[C@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)C[NH+](C)C ZINC000422080790 1029049271 /nfs/dbraw/zinc/04/92/71/1029049271.db2.gz BGQMESWWVGXTGS-QGZVFWFLSA-N 2 1 340.515 3.953 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000544405064 1029066374 /nfs/dbraw/zinc/06/63/74/1029066374.db2.gz NZSLOADDTVNJOY-DENIHFKCSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000544405064 1029066384 /nfs/dbraw/zinc/06/63/84/1029066384.db2.gz NZSLOADDTVNJOY-DENIHFKCSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405064 1029066399 /nfs/dbraw/zinc/06/63/99/1029066399.db2.gz NZSLOADDTVNJOY-DENIHFKCSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405064 1029066418 /nfs/dbraw/zinc/06/64/18/1029066418.db2.gz NZSLOADDTVNJOY-DENIHFKCSA-N 2 1 337.511 3.999 20 0 EHADMP c1cc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790080 1029083160 /nfs/dbraw/zinc/08/31/60/1029083160.db2.gz ZKSARAGHQNEKQU-KBPBESRZSA-N 2 1 333.526 3.693 20 0 EHADMP CCc1ccc([C@@H](CC)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154485940 1029199376 /nfs/dbraw/zinc/19/93/76/1029199376.db2.gz GWVGILMPLJEMRH-OAQYLSRUSA-N 2 1 331.548 3.707 20 0 EHADMP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271936122 1029236146 /nfs/dbraw/zinc/23/61/46/1029236146.db2.gz AKOYDZAGEUIDGI-SFTDATJTSA-N 2 1 330.516 3.834 20 0 EHADMP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245755399 1029247658 /nfs/dbraw/zinc/24/76/58/1029247658.db2.gz URGCRQHYNBNVLN-CIAFKFPVSA-N 2 1 336.479 3.505 20 0 EHADMP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245755399 1029247664 /nfs/dbraw/zinc/24/76/64/1029247664.db2.gz URGCRQHYNBNVLN-CIAFKFPVSA-N 2 1 336.479 3.505 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074172 1029275527 /nfs/dbraw/zinc/27/55/27/1029275527.db2.gz WRUPMDQQTCFAIN-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074172 1029275537 /nfs/dbraw/zinc/27/55/37/1029275537.db2.gz WRUPMDQQTCFAIN-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074172 1029275554 /nfs/dbraw/zinc/27/55/54/1029275554.db2.gz WRUPMDQQTCFAIN-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074172 1029275574 /nfs/dbraw/zinc/27/55/74/1029275574.db2.gz WRUPMDQQTCFAIN-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000124965361 1029384394 /nfs/dbraw/zinc/38/43/94/1029384394.db2.gz OQAJUZWFOZOJAA-WEFJBSGNSA-N 2 1 325.456 3.789 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC3 ZINC000272427066 1029456054 /nfs/dbraw/zinc/45/60/54/1029456054.db2.gz MRGTVVBEPUQERS-CSNJMZFVSA-N 2 1 337.511 3.939 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC3 ZINC000272427066 1029456058 /nfs/dbraw/zinc/45/60/58/1029456058.db2.gz MRGTVVBEPUQERS-CSNJMZFVSA-N 2 1 337.511 3.939 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@H]1c1ccccc1 ZINC000261669376 1029480247 /nfs/dbraw/zinc/48/02/47/1029480247.db2.gz IWOGMYCQCDQCKN-PKTZIBPZSA-N 2 1 343.474 3.923 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261981190 1029544031 /nfs/dbraw/zinc/54/40/31/1029544031.db2.gz RLBJAMNDBIUBSV-GUDVDZBRSA-N 2 1 344.547 3.673 20 0 EHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414840953 1029545418 /nfs/dbraw/zinc/54/54/18/1029545418.db2.gz MUPLSCPDWPNJTK-QZTJIDSGSA-N 2 1 334.504 3.522 20 0 EHADMP C[NH2+]CCC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000261990267 1029546100 /nfs/dbraw/zinc/54/61/00/1029546100.db2.gz LQEZKNBJKHAANX-UHFFFAOYSA-N 2 1 345.512 3.544 20 0 EHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC001204864490 1029550213 /nfs/dbraw/zinc/55/02/13/1029550213.db2.gz VHCJGOZTAPTPLL-ZWNOBZJWSA-N 2 1 337.241 3.916 20 0 EHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC001204864490 1029550224 /nfs/dbraw/zinc/55/02/24/1029550224.db2.gz VHCJGOZTAPTPLL-ZWNOBZJWSA-N 2 1 337.241 3.916 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125820799 1029614589 /nfs/dbraw/zinc/61/45/89/1029614589.db2.gz UDGULMFSYHCEHA-AEFFLSMTSA-N 2 1 334.504 3.865 20 0 EHADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269094 1029776808 /nfs/dbraw/zinc/77/68/08/1029776808.db2.gz ZKZMZVLVMCOGIE-GOSISDBHSA-N 2 1 330.422 3.919 20 0 EHADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269094 1029776816 /nfs/dbraw/zinc/77/68/16/1029776816.db2.gz ZKZMZVLVMCOGIE-GOSISDBHSA-N 2 1 330.422 3.919 20 0 EHADMP C[NH+](Cc1ccc(F)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525269094 1029776821 /nfs/dbraw/zinc/77/68/21/1029776821.db2.gz ZKZMZVLVMCOGIE-GOSISDBHSA-N 2 1 330.422 3.919 20 0 EHADMP C[NH+](Cc1ccc(F)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525269094 1029776829 /nfs/dbraw/zinc/77/68/29/1029776829.db2.gz ZKZMZVLVMCOGIE-GOSISDBHSA-N 2 1 330.422 3.919 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716222 1029797181 /nfs/dbraw/zinc/79/71/81/1029797181.db2.gz KJUGZDBCOUBZET-DYXWJJEUSA-N 2 1 338.495 3.954 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446823671 1029808884 /nfs/dbraw/zinc/80/88/84/1029808884.db2.gz OPWRMPMGCAHMPV-FXAWDEMLSA-N 2 1 329.488 3.659 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000650705379 1029972229 /nfs/dbraw/zinc/97/22/29/1029972229.db2.gz FSLCRNOWGAKOOY-AHIWAGSCSA-N 2 1 343.298 3.712 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000453264566 1029997378 /nfs/dbraw/zinc/99/73/78/1029997378.db2.gz AEXKXJMWFXBCGH-ONCXSQPRSA-N 2 1 346.515 3.625 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000453264566 1029997388 /nfs/dbraw/zinc/99/73/88/1029997388.db2.gz AEXKXJMWFXBCGH-ONCXSQPRSA-N 2 1 346.515 3.625 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453241942 1030011138 /nfs/dbraw/zinc/01/11/38/1030011138.db2.gz UVPRIEQEOAVBKQ-GJZGRUSLSA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453241942 1030011154 /nfs/dbraw/zinc/01/11/54/1030011154.db2.gz UVPRIEQEOAVBKQ-GJZGRUSLSA-N 2 1 340.389 3.791 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1CC[NH3+] ZINC000650711107 1030056638 /nfs/dbraw/zinc/05/66/38/1030056638.db2.gz ITIPXTRSMKOMBW-UWJYYQICSA-N 2 1 339.483 3.610 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H]1CC[NH3+] ZINC000650711835 1030078438 /nfs/dbraw/zinc/07/84/38/1030078438.db2.gz FXOPCYATILDCKK-LAUBAEHRSA-N 2 1 339.483 3.610 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453350329 1030139951 /nfs/dbraw/zinc/13/99/51/1030139951.db2.gz GVUXQGCBGYLIBK-GIVPXCGWSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000453350329 1030139959 /nfs/dbraw/zinc/13/99/59/1030139959.db2.gz GVUXQGCBGYLIBK-GIVPXCGWSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350329 1030139966 /nfs/dbraw/zinc/13/99/66/1030139966.db2.gz GVUXQGCBGYLIBK-GIVPXCGWSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350329 1030139974 /nfs/dbraw/zinc/13/99/74/1030139974.db2.gz GVUXQGCBGYLIBK-GIVPXCGWSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@]4(CCOC4)C2)C3)cc1 ZINC000453359122 1030154598 /nfs/dbraw/zinc/15/45/98/1030154598.db2.gz JVIBBUOOLWWTFR-CBPXPLCBSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@]4(CCOC4)C2)C3)cc1 ZINC000453359122 1030154604 /nfs/dbraw/zinc/15/46/04/1030154604.db2.gz JVIBBUOOLWWTFR-CBPXPLCBSA-N 2 1 340.511 3.685 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000531976806 1030189940 /nfs/dbraw/zinc/18/99/40/1030189940.db2.gz PTBJYFPXUHTYMM-CEWLAPEOSA-N 2 1 330.516 3.594 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000531976806 1030189952 /nfs/dbraw/zinc/18/99/52/1030189952.db2.gz PTBJYFPXUHTYMM-CEWLAPEOSA-N 2 1 330.516 3.594 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000121223807 1030213516 /nfs/dbraw/zinc/21/35/16/1030213516.db2.gz YDTXGXOKCQEHDI-GOEBONIOSA-N 2 1 326.431 3.541 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453406945 1030218410 /nfs/dbraw/zinc/21/84/10/1030218410.db2.gz ROSKDTRDUGFWAF-INIZCTEOSA-N 2 1 326.488 3.706 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453406945 1030218426 /nfs/dbraw/zinc/21/84/26/1030218426.db2.gz ROSKDTRDUGFWAF-INIZCTEOSA-N 3 1 326.488 3.706 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453406945 1030218446 /nfs/dbraw/zinc/21/84/46/1030218446.db2.gz ROSKDTRDUGFWAF-INIZCTEOSA-N 3 1 326.488 3.706 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000278340069 1030258568 /nfs/dbraw/zinc/25/85/68/1030258568.db2.gz GTHPKVNCFCSFHO-DNVCBOLYSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000278340069 1030258580 /nfs/dbraw/zinc/25/85/80/1030258580.db2.gz GTHPKVNCFCSFHO-DNVCBOLYSA-N 2 1 327.447 3.529 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000453444256 1030263152 /nfs/dbraw/zinc/26/31/52/1030263152.db2.gz XVXGIADZIAUPTK-PLACYPQZSA-N 2 1 342.527 3.692 20 0 EHADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583665 1030316717 /nfs/dbraw/zinc/31/67/17/1030316717.db2.gz CCUAZDJZNNKDQD-JRSUCEMESA-N 2 1 328.500 3.587 20 0 EHADMP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603964 1030358858 /nfs/dbraw/zinc/35/88/58/1030358858.db2.gz YAJAZQVXVRIUHM-HAGHYFMRSA-N 2 1 342.508 3.567 20 0 EHADMP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603964 1030358878 /nfs/dbraw/zinc/35/88/78/1030358878.db2.gz YAJAZQVXVRIUHM-HAGHYFMRSA-N 2 1 342.508 3.567 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C/c1ccc(Cl)cc1 ZINC000526056986 1030396391 /nfs/dbraw/zinc/39/63/91/1030396391.db2.gz NDBRGAJXSKGDSB-HNJZAVPNSA-N 2 1 334.891 3.537 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C/c1ccc(Cl)cc1 ZINC000526056986 1030396406 /nfs/dbraw/zinc/39/64/06/1030396406.db2.gz NDBRGAJXSKGDSB-HNJZAVPNSA-N 2 1 334.891 3.537 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C\c1ccc(Cl)cc1 ZINC000526056989 1030397625 /nfs/dbraw/zinc/39/76/25/1030397625.db2.gz NDBRGAJXSKGDSB-XCCUNJHGSA-N 2 1 334.891 3.537 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C\c1ccc(Cl)cc1 ZINC000526056989 1030397640 /nfs/dbraw/zinc/39/76/40/1030397640.db2.gz NDBRGAJXSKGDSB-XCCUNJHGSA-N 2 1 334.891 3.537 20 0 EHADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC(C)C ZINC000092253352 1030418541 /nfs/dbraw/zinc/41/85/41/1030418541.db2.gz FVAMNCKTYYXDMK-SFHVURJKSA-N 2 1 334.504 3.504 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC(C)C ZINC000092253352 1030418553 /nfs/dbraw/zinc/41/85/53/1030418553.db2.gz FVAMNCKTYYXDMK-SFHVURJKSA-N 2 1 334.504 3.504 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCC(C)C ZINC000092253352 1030418561 /nfs/dbraw/zinc/41/85/61/1030418561.db2.gz FVAMNCKTYYXDMK-SFHVURJKSA-N 2 1 334.504 3.504 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCC(C)C ZINC000092253352 1030418565 /nfs/dbraw/zinc/41/85/65/1030418565.db2.gz FVAMNCKTYYXDMK-SFHVURJKSA-N 2 1 334.504 3.504 20 0 EHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000121893602 1030434089 /nfs/dbraw/zinc/43/40/89/1030434089.db2.gz NZJXQFQEKNCKOR-RDTXWAMCSA-N 2 1 334.891 3.936 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000151105590 1030474794 /nfs/dbraw/zinc/47/47/94/1030474794.db2.gz GACLMRUWKZSBNZ-LSDHHAIUSA-N 2 1 326.431 3.979 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000151105590 1030474802 /nfs/dbraw/zinc/47/48/02/1030474802.db2.gz GACLMRUWKZSBNZ-LSDHHAIUSA-N 2 1 326.431 3.979 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCC[C@@H](C)C3)CC2)oc1C ZINC000092565468 1030479557 /nfs/dbraw/zinc/47/95/57/1030479557.db2.gz AKYWHDYBWSTBHQ-BEFAXECRSA-N 2 1 333.520 3.919 20 0 EHADMP CCCCC[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000650742162 1030487084 /nfs/dbraw/zinc/48/70/84/1030487084.db2.gz SAZBHVWACLKEHD-WCRBZPEASA-N 2 1 329.532 3.551 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244457 1030509969 /nfs/dbraw/zinc/50/99/69/1030509969.db2.gz PULZGNRRIXHTEC-DLBZAZTESA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244457 1030509978 /nfs/dbraw/zinc/50/99/78/1030509978.db2.gz PULZGNRRIXHTEC-DLBZAZTESA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244457 1030509988 /nfs/dbraw/zinc/50/99/88/1030509988.db2.gz PULZGNRRIXHTEC-DLBZAZTESA-N 2 1 326.406 3.925 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000532367103 1030578453 /nfs/dbraw/zinc/57/84/53/1030578453.db2.gz GFUYAJUFCLLRKK-KRWDZBQOSA-N 2 1 349.569 3.505 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447943554 1030598300 /nfs/dbraw/zinc/59/83/00/1030598300.db2.gz XQVRHJGKMNNJDU-KDURUIRLSA-N 2 1 340.515 3.720 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000482708961 1030657506 /nfs/dbraw/zinc/65/75/06/1030657506.db2.gz AFNYCQDIFRYGBD-NRSPTQNISA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000482708961 1030657512 /nfs/dbraw/zinc/65/75/12/1030657512.db2.gz AFNYCQDIFRYGBD-NRSPTQNISA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000482708961 1030657522 /nfs/dbraw/zinc/65/75/22/1030657522.db2.gz AFNYCQDIFRYGBD-NRSPTQNISA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000482708961 1030657534 /nfs/dbraw/zinc/65/75/34/1030657534.db2.gz AFNYCQDIFRYGBD-NRSPTQNISA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000482708961 1030657540 /nfs/dbraw/zinc/65/75/40/1030657540.db2.gz AFNYCQDIFRYGBD-NRSPTQNISA-N 2 1 332.532 3.768 20 0 EHADMP Fc1ccc(Cl)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735119 1030668342 /nfs/dbraw/zinc/66/83/42/1030668342.db2.gz BASKDOSIVBWGGB-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000583776126 1030704802 /nfs/dbraw/zinc/70/48/02/1030704802.db2.gz QYNWENUSGLVBII-ZJOUEHCJSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583776126 1030704824 /nfs/dbraw/zinc/70/48/24/1030704824.db2.gz QYNWENUSGLVBII-ZJOUEHCJSA-N 2 1 331.548 3.750 20 0 EHADMP CC(C)CC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000482827026 1030734465 /nfs/dbraw/zinc/73/44/65/1030734465.db2.gz NONFUMNJZAPNFC-NRFANRHFSA-N 2 1 344.543 3.772 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194240079 1030753011 /nfs/dbraw/zinc/75/30/11/1030753011.db2.gz AQYSEVXHEVLSID-KRWDZBQOSA-N 2 1 326.488 3.678 20 0 EHADMP Cn1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccc(F)cc2)n1 ZINC000550882678 1030757597 /nfs/dbraw/zinc/75/75/97/1030757597.db2.gz RBISNRSCKRXMNX-FQEVSTJZSA-N 2 1 344.478 3.504 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000650755513 1030768120 /nfs/dbraw/zinc/76/81/20/1030768120.db2.gz GSZVCFLZHHSSFH-INIZCTEOSA-N 2 1 334.467 3.657 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000482878235 1030778321 /nfs/dbraw/zinc/77/83/21/1030778321.db2.gz ZOTRCKMGQZIYRV-AHRSYUTCSA-N 2 1 349.950 3.767 20 0 EHADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806578 1030812622 /nfs/dbraw/zinc/81/26/22/1030812622.db2.gz AOYKKUIBQGPKIL-GJZGRUSLSA-N 2 1 331.460 3.654 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2s1 ZINC000527351410 1030842499 /nfs/dbraw/zinc/84/24/99/1030842499.db2.gz JXNWZCUCVSTGGG-RDJZCZTQSA-N 2 1 332.513 3.645 20 0 EHADMP FC(F)(F)Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353798 1030854195 /nfs/dbraw/zinc/85/41/95/1030854195.db2.gz UGVBJNMLXBBEMR-UHFFFAOYSA-N 2 1 328.378 3.549 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550994963 1030875364 /nfs/dbraw/zinc/87/53/64/1030875364.db2.gz XPXDPRSQOAJYDB-SFTDATJTSA-N 2 1 338.495 3.971 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550994963 1030875390 /nfs/dbraw/zinc/87/53/90/1030875390.db2.gz XPXDPRSQOAJYDB-SFTDATJTSA-N 2 1 338.495 3.971 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000551000690 1030886862 /nfs/dbraw/zinc/88/68/62/1030886862.db2.gz QRHVPTIOWVVWQE-FYYLOGMGSA-N 2 1 349.522 3.864 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000551000690 1030886887 /nfs/dbraw/zinc/88/68/87/1030886887.db2.gz QRHVPTIOWVVWQE-FYYLOGMGSA-N 2 1 349.522 3.864 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000551009954 1030909057 /nfs/dbraw/zinc/90/90/57/1030909057.db2.gz XRMMPOQCOOJLPU-VURPSTOHSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551009954 1030909071 /nfs/dbraw/zinc/90/90/71/1030909071.db2.gz XRMMPOQCOOJLPU-VURPSTOHSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000551009954 1030909086 /nfs/dbraw/zinc/90/90/86/1030909086.db2.gz XRMMPOQCOOJLPU-VURPSTOHSA-N 2 1 329.532 3.532 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000551050736 1030981255 /nfs/dbraw/zinc/98/12/55/1030981255.db2.gz KZKDEFWUTZMCNE-WKWVNEEDSA-N 2 1 328.500 3.615 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000551050736 1030981266 /nfs/dbraw/zinc/98/12/66/1030981266.db2.gz KZKDEFWUTZMCNE-WKWVNEEDSA-N 2 1 328.500 3.615 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)[nH+]1 ZINC000343471932 1031035675 /nfs/dbraw/zinc/03/56/75/1031035675.db2.gz PQRXEYJSUWWXGX-WSTZPKSXSA-N 2 1 343.515 3.544 20 0 EHADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(OC)CCCC1 ZINC000483296642 1031095254 /nfs/dbraw/zinc/09/52/54/1031095254.db2.gz RXKGYTLWWDALIU-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(OC)CCCC1 ZINC000483296642 1031095273 /nfs/dbraw/zinc/09/52/73/1031095273.db2.gz RXKGYTLWWDALIU-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(OC)CCCC1 ZINC000483296642 1031095289 /nfs/dbraw/zinc/09/52/89/1031095289.db2.gz RXKGYTLWWDALIU-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527655215 1031115625 /nfs/dbraw/zinc/11/56/25/1031115625.db2.gz ZZODMRFOQDRMEZ-VXKWHMMOSA-N 2 1 343.559 3.720 20 0 EHADMP CCC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742083 1031195593 /nfs/dbraw/zinc/19/55/93/1031195593.db2.gz CZFNCCKCEWMTKY-UXHICEINSA-N 2 1 330.516 3.978 20 0 EHADMP CCC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742083 1031195604 /nfs/dbraw/zinc/19/56/04/1031195604.db2.gz CZFNCCKCEWMTKY-UXHICEINSA-N 2 1 330.516 3.978 20 0 EHADMP [NH3+]CCCOCC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000629541051 1031213666 /nfs/dbraw/zinc/21/36/66/1031213666.db2.gz WWXQCQYMUMSWOI-GOSISDBHSA-N 2 1 336.838 3.524 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CC34CC4)CC2)cs1 ZINC000527859166 1031338114 /nfs/dbraw/zinc/33/81/14/1031338114.db2.gz DCPPQPQVILQSNB-RHSMWYFYSA-N 2 1 333.545 3.696 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491589 1031380366 /nfs/dbraw/zinc/38/03/66/1031380366.db2.gz MDSKFQJEBOEWLE-PXNSSMCTSA-N 2 1 337.467 3.790 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491589 1031380386 /nfs/dbraw/zinc/38/03/86/1031380386.db2.gz MDSKFQJEBOEWLE-PXNSSMCTSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491589 1031380400 /nfs/dbraw/zinc/38/04/00/1031380400.db2.gz MDSKFQJEBOEWLE-PXNSSMCTSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491589 1031380419 /nfs/dbraw/zinc/38/04/19/1031380419.db2.gz MDSKFQJEBOEWLE-PXNSSMCTSA-N 2 1 337.467 3.790 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CCCO1 ZINC000527893285 1031386359 /nfs/dbraw/zinc/38/63/59/1031386359.db2.gz DKYFCLKJEGMUDN-FZKQIMNGSA-N 2 1 340.870 3.557 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483961801 1031403297 /nfs/dbraw/zinc/40/32/97/1031403297.db2.gz XNAXJMREPJKVMC-UHFFFAOYSA-N 2 1 328.859 3.664 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483961801 1031403305 /nfs/dbraw/zinc/40/33/05/1031403305.db2.gz XNAXJMREPJKVMC-UHFFFAOYSA-N 2 1 328.859 3.664 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570816 1031438055 /nfs/dbraw/zinc/43/80/55/1031438055.db2.gz PMMHXLUZPUNBOR-HKUYNNGSSA-N 2 1 344.499 3.523 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570816 1031438063 /nfs/dbraw/zinc/43/80/63/1031438063.db2.gz PMMHXLUZPUNBOR-HKUYNNGSSA-N 2 1 344.499 3.523 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000484095151 1031453501 /nfs/dbraw/zinc/45/35/01/1031453501.db2.gz HNGNGLANLSTMOY-DYVFJYSZSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000484095151 1031453517 /nfs/dbraw/zinc/45/35/17/1031453517.db2.gz HNGNGLANLSTMOY-DYVFJYSZSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000484095151 1031453525 /nfs/dbraw/zinc/45/35/25/1031453525.db2.gz HNGNGLANLSTMOY-DYVFJYSZSA-N 2 1 328.859 3.520 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000484165497 1031483315 /nfs/dbraw/zinc/48/33/15/1031483315.db2.gz PNCKRQSQCCOHEY-FPOVZHCZSA-N 2 1 332.532 3.573 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000527932504 1031496718 /nfs/dbraw/zinc/49/67/18/1031496718.db2.gz MVNJHFKFANTBLW-DKJXMLAJSA-N 2 1 337.305 3.782 20 0 EHADMP COCCC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000527935666 1031500137 /nfs/dbraw/zinc/50/01/37/1031500137.db2.gz NVEULETVRONOHH-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP COCCC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000527935666 1031500151 /nfs/dbraw/zinc/50/01/51/1031500151.db2.gz NVEULETVRONOHH-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000528010213 1031589454 /nfs/dbraw/zinc/58/94/54/1031589454.db2.gz LWQZEEPLOMRTAF-MRRJBJDNSA-N 2 1 344.330 3.668 20 0 EHADMP CCc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000475724201 1031605405 /nfs/dbraw/zinc/60/54/05/1031605405.db2.gz RXRIZEQNPQZYJX-KFKAGJAMSA-N 2 1 336.907 3.586 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000475724201 1031605416 /nfs/dbraw/zinc/60/54/16/1031605416.db2.gz RXRIZEQNPQZYJX-KFKAGJAMSA-N 2 1 336.907 3.586 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000178037721 1031611542 /nfs/dbraw/zinc/61/15/42/1031611542.db2.gz OJNGEZRJLLLKMJ-NSHGMRRFSA-N 2 1 346.515 3.688 20 0 EHADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2ccccc2Cl)n1 ZINC000343622019 1031670735 /nfs/dbraw/zinc/67/07/35/1031670735.db2.gz MXOIQXDOVSCADG-UHFFFAOYSA-N 2 1 346.906 3.658 20 0 EHADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2ccccc2Cl)n1 ZINC000343622019 1031670738 /nfs/dbraw/zinc/67/07/38/1031670738.db2.gz MXOIQXDOVSCADG-UHFFFAOYSA-N 2 1 346.906 3.658 20 0 EHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231245 1031976933 /nfs/dbraw/zinc/97/69/33/1031976933.db2.gz JLFVCQVKXVDPSI-LEWJYISDSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231245 1031976945 /nfs/dbraw/zinc/97/69/45/1031976945.db2.gz JLFVCQVKXVDPSI-LEWJYISDSA-N 2 1 342.527 3.978 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000568651051 1032025445 /nfs/dbraw/zinc/02/54/45/1032025445.db2.gz GYLBITMIYOOXRA-FUHIMQAGSA-N 2 1 339.483 3.651 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459401834 1032041346 /nfs/dbraw/zinc/04/13/46/1032041346.db2.gz YKOWAWQIWVYFBR-UHFFFAOYSA-N 2 1 346.544 3.936 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@@H]1SC ZINC000459404579 1032046253 /nfs/dbraw/zinc/04/62/53/1032046253.db2.gz DMSFIWFVFZNOES-NMLACTOBSA-N 2 1 348.556 3.711 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)c(O)c2)CC1)CC(C)C ZINC000685462609 1033357684 /nfs/dbraw/zinc/35/76/84/1033357684.db2.gz GINLEYPXQKFWOJ-UHFFFAOYSA-N 2 1 348.531 3.981 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533364 1033508752 /nfs/dbraw/zinc/50/87/52/1033508752.db2.gz FBZPOXOCHAAWDI-BBRMVZONSA-N 2 1 325.294 3.832 20 0 EHADMP Cn1c[nH+]cc1CCCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594906012 1033536810 /nfs/dbraw/zinc/53/68/10/1033536810.db2.gz GBFUPZBDFRWFAA-LJQANCHMSA-N 2 1 329.513 3.751 20 0 EHADMP Cn1c[nH+]cc1CCCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594906012 1033536823 /nfs/dbraw/zinc/53/68/23/1033536823.db2.gz GBFUPZBDFRWFAA-LJQANCHMSA-N 2 1 329.513 3.751 20 0 EHADMP Cn1c[nH+]cc1CCCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594906008 1033537500 /nfs/dbraw/zinc/53/75/00/1033537500.db2.gz GBFUPZBDFRWFAA-IBGZPJMESA-N 2 1 329.513 3.751 20 0 EHADMP Cn1c[nH+]cc1CCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594906008 1033537517 /nfs/dbraw/zinc/53/75/17/1033537517.db2.gz GBFUPZBDFRWFAA-IBGZPJMESA-N 2 1 329.513 3.751 20 0 EHADMP C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131145844 1033540686 /nfs/dbraw/zinc/54/06/86/1033540686.db2.gz VZRUEHZFOFZBLL-QGZVFWFLSA-N 2 1 328.456 3.947 20 0 EHADMP C[C@@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000685613216 1033624589 /nfs/dbraw/zinc/62/45/89/1033624589.db2.gz LRNAUCYLRMEHSY-ZDUSSCGKSA-N 2 1 330.394 3.623 20 0 EHADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000550608420 1033723546 /nfs/dbraw/zinc/72/35/46/1033723546.db2.gz GOLITZYYSJGJAS-HKBOAZHASA-N 2 1 331.548 3.778 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000595331762 1033731420 /nfs/dbraw/zinc/73/14/20/1033731420.db2.gz DAJAHIXDECSRAV-OAQYLSRUSA-N 2 1 343.559 3.584 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658004563 1033836819 /nfs/dbraw/zinc/83/68/19/1033836819.db2.gz QPWGNGUJLJURDZ-OALUTQOASA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658004563 1033836829 /nfs/dbraw/zinc/83/68/29/1033836829.db2.gz QPWGNGUJLJURDZ-OALUTQOASA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)O1 ZINC000575122766 1033867173 /nfs/dbraw/zinc/86/71/73/1033867173.db2.gz CDAHAKMQPDCOCX-BWPNAZKDSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)O1 ZINC000575122766 1033867190 /nfs/dbraw/zinc/86/71/90/1033867190.db2.gz CDAHAKMQPDCOCX-BWPNAZKDSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000575107204 1033877459 /nfs/dbraw/zinc/87/74/59/1033877459.db2.gz NLUXWOZDYCWMMG-KGLIPLIRSA-N 2 1 340.309 3.615 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000575107204 1033877472 /nfs/dbraw/zinc/87/74/72/1033877472.db2.gz NLUXWOZDYCWMMG-KGLIPLIRSA-N 2 1 340.309 3.615 20 0 EHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000658065282 1033887511 /nfs/dbraw/zinc/88/75/11/1033887511.db2.gz WIQVDIRHYSCIEZ-WLRLJWMZSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@H]1c1ccccc1 ZINC000550702768 1033893614 /nfs/dbraw/zinc/89/36/14/1033893614.db2.gz CDPNNQBBVGOLSG-MSOLQXFVSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@H]1c1ccccc1 ZINC000550702768 1033893624 /nfs/dbraw/zinc/89/36/24/1033893624.db2.gz CDPNNQBBVGOLSG-MSOLQXFVSA-N 2 1 345.874 3.539 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000623471854 1034032482 /nfs/dbraw/zinc/03/24/82/1034032482.db2.gz WMVSDLXNCGICHX-HLAWJBBLSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471854 1034032498 /nfs/dbraw/zinc/03/24/98/1034032498.db2.gz WMVSDLXNCGICHX-HLAWJBBLSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471854 1034032515 /nfs/dbraw/zinc/03/25/15/1034032515.db2.gz WMVSDLXNCGICHX-HLAWJBBLSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471854 1034032523 /nfs/dbraw/zinc/03/25/23/1034032523.db2.gz WMVSDLXNCGICHX-HLAWJBBLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471854 1034032537 /nfs/dbraw/zinc/03/25/37/1034032537.db2.gz WMVSDLXNCGICHX-HLAWJBBLSA-N 2 1 343.559 3.750 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001168322164 1034081012 /nfs/dbraw/zinc/08/10/12/1034081012.db2.gz OLZPYSOUKMAQRR-OVESXRPUSA-N 2 1 342.527 3.898 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000599657281 1034089830 /nfs/dbraw/zinc/08/98/30/1034089830.db2.gz DQKFGQFHBCKPCI-OAHLLOKOSA-N 2 1 344.455 3.711 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000529546245 1034152935 /nfs/dbraw/zinc/15/29/35/1034152935.db2.gz VHQRJZAMPOXPSJ-UHFFFAOYSA-N 2 1 327.447 3.742 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001168328845 1034193782 /nfs/dbraw/zinc/19/37/82/1034193782.db2.gz LEWCLSYBDFYRAF-UHFFFAOYSA-N 2 1 326.406 3.936 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCOC1 ZINC000658319834 1034196685 /nfs/dbraw/zinc/19/66/85/1034196685.db2.gz JMIVQDZMNYJVIV-HBMCJLEFSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H](CC[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421828536 1034251231 /nfs/dbraw/zinc/25/12/31/1034251231.db2.gz DEULLIXEBSBHEO-GHTZIAJQSA-N 2 1 337.511 3.829 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000450409052 1034260266 /nfs/dbraw/zinc/26/02/66/1034260266.db2.gz WUUOIHQXIIDGFS-CUXKYVRBSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000450409052 1034260283 /nfs/dbraw/zinc/26/02/83/1034260283.db2.gz WUUOIHQXIIDGFS-CUXKYVRBSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000450409052 1034260294 /nfs/dbraw/zinc/26/02/94/1034260294.db2.gz WUUOIHQXIIDGFS-CUXKYVRBSA-N 2 1 344.543 3.737 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534238158 1034278549 /nfs/dbraw/zinc/27/85/49/1034278549.db2.gz ALAOZKDOLZEFFO-FQEVSTJZSA-N 2 1 349.950 3.581 20 0 EHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388473 1034358949 /nfs/dbraw/zinc/35/89/49/1034358949.db2.gz FEEKJIQEFBDRBZ-MOPGFXCFSA-N 2 1 335.923 3.503 20 0 EHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388473 1034358959 /nfs/dbraw/zinc/35/89/59/1034358959.db2.gz FEEKJIQEFBDRBZ-MOPGFXCFSA-N 2 1 335.923 3.503 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181904 1034410486 /nfs/dbraw/zinc/41/04/86/1034410486.db2.gz JXDMBEGIRDBLNO-SFTDATJTSA-N 2 1 337.467 3.570 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181904 1034410495 /nfs/dbraw/zinc/41/04/95/1034410495.db2.gz JXDMBEGIRDBLNO-SFTDATJTSA-N 2 1 337.467 3.570 20 0 EHADMP COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)c1OC ZINC000340190466 1034441230 /nfs/dbraw/zinc/44/12/30/1034441230.db2.gz GMWBIBVNXWSXRD-RTBURBONSA-N 2 1 340.467 3.629 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340210462 1034466861 /nfs/dbraw/zinc/46/68/61/1034466861.db2.gz RDIUIPRQGRELFP-IRLDBZIGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340210462 1034466867 /nfs/dbraw/zinc/46/68/67/1034466867.db2.gz RDIUIPRQGRELFP-IRLDBZIGSA-N 2 1 346.478 3.797 20 0 EHADMP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1C ZINC000597076956 1034530774 /nfs/dbraw/zinc/53/07/74/1034530774.db2.gz XDZMOVQROFPZMX-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1C ZINC000597076956 1034530782 /nfs/dbraw/zinc/53/07/82/1034530782.db2.gz XDZMOVQROFPZMX-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](CC)CC ZINC000605425227 1034725167 /nfs/dbraw/zinc/72/51/67/1034725167.db2.gz CWFZACYVUIBWIX-PXNSSMCTSA-N 2 1 345.531 3.977 20 0 EHADMP C[C@H]1OCC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390583249 1034755602 /nfs/dbraw/zinc/75/56/02/1034755602.db2.gz JZPMDWBOQLUECF-KNQAVFIVSA-N 2 1 338.495 3.846 20 0 EHADMP CCc1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000450767551 1034762422 /nfs/dbraw/zinc/76/24/22/1034762422.db2.gz VIBASBJFYGGSJL-DYESRHJHSA-N 2 1 341.499 3.670 20 0 EHADMP CCc1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000450767551 1034762434 /nfs/dbraw/zinc/76/24/34/1034762434.db2.gz VIBASBJFYGGSJL-DYESRHJHSA-N 2 1 341.499 3.670 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000375894997 1034851854 /nfs/dbraw/zinc/85/18/54/1034851854.db2.gz IMDPKOIZQJSTPB-JSRAGOMMSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000375905556 1034882490 /nfs/dbraw/zinc/88/24/90/1034882490.db2.gz SWVABHBSZDUIAQ-LPHOPBHVSA-N 2 1 335.923 3.501 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343824451 1034971524 /nfs/dbraw/zinc/97/15/24/1034971524.db2.gz YOCMESQSNYMBOU-UWVGGRQHSA-N 2 1 332.395 3.654 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000310645514 1035229255 /nfs/dbraw/zinc/22/92/55/1035229255.db2.gz AYBDDUVIKJJQFP-UHFFFAOYSA-N 2 1 347.503 3.998 20 0 EHADMP COC[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548992734 1035408119 /nfs/dbraw/zinc/40/81/19/1035408119.db2.gz BDIWRCQVVHJOPE-YQCLPMHJSA-N 2 1 336.907 3.878 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000414169203 1035866736 /nfs/dbraw/zinc/86/67/36/1035866736.db2.gz AUNHRKCNJKMHIH-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414211641 1036085161 /nfs/dbraw/zinc/08/51/61/1036085161.db2.gz VQSJAYFYUFUBIZ-OYNPSCLESA-N 2 1 330.516 3.549 20 0 EHADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000549040984 1036178638 /nfs/dbraw/zinc/17/86/38/1036178638.db2.gz TZPXRHUSDTVSAU-TZIWHRDSSA-N 2 1 330.516 3.818 20 0 EHADMP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000414231547 1036189271 /nfs/dbraw/zinc/18/92/71/1036189271.db2.gz PJKOMQRRJUCWHQ-HRAATJIYSA-N 2 1 348.506 3.626 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000190772096 1036290001 /nfs/dbraw/zinc/29/00/01/1036290001.db2.gz XKZKPMGUJGIHBW-GOSISDBHSA-N 2 1 326.488 3.617 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414257307 1036311859 /nfs/dbraw/zinc/31/18/59/1036311859.db2.gz GTKKRPVRCWRSIR-YLJYHZDGSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414257307 1036311883 /nfs/dbraw/zinc/31/18/83/1036311883.db2.gz GTKKRPVRCWRSIR-YLJYHZDGSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000191501913 1036396728 /nfs/dbraw/zinc/39/67/28/1036396728.db2.gz JPWCYCKZXXTLBV-IBGZPJMESA-N 2 1 333.520 3.613 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000192746687 1036549005 /nfs/dbraw/zinc/54/90/05/1036549005.db2.gz SHTIRJZUTRTSNK-IRLDBZIGSA-N 2 1 343.559 3.528 20 0 EHADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398206156 1036571426 /nfs/dbraw/zinc/57/14/26/1036571426.db2.gz QSIJUIIPHBWPNE-GCJKJVERSA-N 2 1 338.495 3.833 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000347431951 1036622164 /nfs/dbraw/zinc/62/21/64/1036622164.db2.gz FASGGZCWXJCEIB-FSSWDIPSSA-N 2 1 342.527 3.932 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000472588753 1036713483 /nfs/dbraw/zinc/71/34/83/1036713483.db2.gz GGBMXGSEIRFSMD-UXHICEINSA-N 2 1 330.516 3.824 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000472588753 1036713500 /nfs/dbraw/zinc/71/35/00/1036713500.db2.gz GGBMXGSEIRFSMD-UXHICEINSA-N 2 1 330.516 3.824 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000472588753 1036713519 /nfs/dbraw/zinc/71/35/19/1036713519.db2.gz GGBMXGSEIRFSMD-UXHICEINSA-N 2 1 330.516 3.824 20 0 EHADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000542465009 1036729531 /nfs/dbraw/zinc/72/95/31/1036729531.db2.gz PIZCVOQNUARRIM-CTNGQTDRSA-N 2 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCCC[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465009 1036729546 /nfs/dbraw/zinc/72/95/46/1036729546.db2.gz PIZCVOQNUARRIM-CTNGQTDRSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465009 1036729561 /nfs/dbraw/zinc/72/95/61/1036729561.db2.gz PIZCVOQNUARRIM-CTNGQTDRSA-N 3 1 349.607 3.941 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000310269936 1036797910 /nfs/dbraw/zinc/79/79/10/1036797910.db2.gz NCOIEAFSYOUODN-NJYVYQBISA-N 2 1 330.516 3.693 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCCc2ccncc2)CC1)CC1CC1 ZINC000462337598 1036848858 /nfs/dbraw/zinc/84/88/58/1036848858.db2.gz DLSLJFTYYKDJAU-UHFFFAOYSA-N 2 1 329.532 3.848 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000539547969 1036902054 /nfs/dbraw/zinc/90/20/54/1036902054.db2.gz YJERRFPOVVJISL-UHFFFAOYSA-N 2 1 338.499 3.521 20 0 EHADMP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OCc1ccccc1 ZINC000647530767 1036906570 /nfs/dbraw/zinc/90/65/70/1036906570.db2.gz DPGAVBBONUXEAD-UHFFFAOYSA-N 2 1 340.467 3.587 20 0 EHADMP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310895522 1036924124 /nfs/dbraw/zinc/92/41/24/1036924124.db2.gz AEQPVCQTCOVYNB-XMSQKQJNSA-N 2 1 338.495 3.833 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2C)[C@H](C)C1 ZINC000178180303 1037006759 /nfs/dbraw/zinc/00/67/59/1037006759.db2.gz WARBBUQKDVXPJU-CTNGQTDRSA-N 2 1 332.532 3.654 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCc2sc(Br)cc21)C[NH+]1CCCC1 ZINC000311730497 1037030517 /nfs/dbraw/zinc/03/05/17/1037030517.db2.gz QHJFDJMYZYNEPU-YPMHNXCESA-N 2 1 343.334 3.819 20 0 EHADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543863 1037097199 /nfs/dbraw/zinc/09/71/99/1037097199.db2.gz SZGWMNDIRWOSTA-ROUUACIJSA-N 2 1 340.515 3.658 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464590 1037367437 /nfs/dbraw/zinc/36/74/37/1037367437.db2.gz JUUMYQMKNWLLSA-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464590 1037367452 /nfs/dbraw/zinc/36/74/52/1037367452.db2.gz JUUMYQMKNWLLSA-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464590 1037367473 /nfs/dbraw/zinc/36/74/73/1037367473.db2.gz JUUMYQMKNWLLSA-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464590 1037367492 /nfs/dbraw/zinc/36/74/92/1037367492.db2.gz JUUMYQMKNWLLSA-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@H]1c1ccccc1 ZINC000423449739 1037409042 /nfs/dbraw/zinc/40/90/42/1037409042.db2.gz RYXMLOVQZOBUKJ-UNMCSNQZSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@H]1c1ccccc1 ZINC000423449739 1037409052 /nfs/dbraw/zinc/40/90/52/1037409052.db2.gz RYXMLOVQZOBUKJ-UNMCSNQZSA-N 2 1 335.495 3.970 20 0 EHADMP c1ccc(C[N@@H+]2CCN(CC[NH+]3CCCC3)CC23CCCCC3)cc1 ZINC000760844987 1037526739 /nfs/dbraw/zinc/52/67/39/1037526739.db2.gz SWDHMNYHIOMYAH-UHFFFAOYSA-N 2 1 341.543 3.603 20 0 EHADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1OCc1cccs1 ZINC000491549073 1037549388 /nfs/dbraw/zinc/54/93/88/1037549388.db2.gz UVWSNJYIWXDDKQ-HNNXBMFYSA-N 2 1 348.512 3.623 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000573497550 1037590246 /nfs/dbraw/zinc/59/02/46/1037590246.db2.gz UUPOZFDRWYYXFP-IBGZPJMESA-N 2 1 344.886 3.505 20 0 EHADMP c1cnn(CCCCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000104959767 1037599899 /nfs/dbraw/zinc/59/98/99/1037599899.db2.gz HEJKBERPTAKZEB-HXUWFJFHSA-N 2 1 332.536 3.641 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000303638513 1037624335 /nfs/dbraw/zinc/62/43/35/1037624335.db2.gz RQGQKKBXEFEDHP-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000303638513 1037624347 /nfs/dbraw/zinc/62/43/47/1037624347.db2.gz RQGQKKBXEFEDHP-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000303638513 1037624359 /nfs/dbraw/zinc/62/43/59/1037624359.db2.gz RQGQKKBXEFEDHP-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000303638513 1037624367 /nfs/dbraw/zinc/62/43/67/1037624367.db2.gz RQGQKKBXEFEDHP-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000540170738 1037640071 /nfs/dbraw/zinc/64/00/71/1037640071.db2.gz VJCAUEPLLOTPGQ-OTWHNJEPSA-N 2 1 332.532 3.832 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653896 1037673316 /nfs/dbraw/zinc/67/33/16/1037673316.db2.gz BJWZLYHWPZOXEH-DUXKGJEZSA-N 2 1 330.516 3.962 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078217 1037744222 /nfs/dbraw/zinc/74/42/22/1037744222.db2.gz ODCISYGFXMRUCJ-PXNSSMCTSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078217 1037744235 /nfs/dbraw/zinc/74/42/35/1037744235.db2.gz ODCISYGFXMRUCJ-PXNSSMCTSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000463143621 1037791799 /nfs/dbraw/zinc/79/17/99/1037791799.db2.gz IGLVBKITZBWPMC-NXLVEIQXSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000463143621 1037791812 /nfs/dbraw/zinc/79/18/12/1037791812.db2.gz IGLVBKITZBWPMC-NXLVEIQXSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000463143621 1037791830 /nfs/dbraw/zinc/79/18/30/1037791830.db2.gz IGLVBKITZBWPMC-NXLVEIQXSA-N 2 1 343.559 3.892 20 0 EHADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463139035 1037802184 /nfs/dbraw/zinc/80/21/84/1037802184.db2.gz BTLNKSQUDXQKEG-IFMALSPDSA-N 2 1 343.559 3.751 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1SC ZINC000592377097 1037919290 /nfs/dbraw/zinc/91/92/90/1037919290.db2.gz NLNOQUXFWLQCAL-JUSBFGHESA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1SC ZINC000592377097 1037919304 /nfs/dbraw/zinc/91/93/04/1037919304.db2.gz NLNOQUXFWLQCAL-JUSBFGHESA-N 2 1 348.556 3.538 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000540493083 1038015439 /nfs/dbraw/zinc/01/54/39/1038015439.db2.gz SMGUBJQGLUOHCM-JOCHJYFZSA-N 2 1 343.559 3.925 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000173344784 1038046979 /nfs/dbraw/zinc/04/69/79/1038046979.db2.gz FJJPKIKKUCGLKM-KBPBESRZSA-N 2 1 325.294 3.832 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000188088790 1038072828 /nfs/dbraw/zinc/07/28/28/1038072828.db2.gz KXTDMIKSYWXFDZ-MRXNPFEDSA-N 2 1 338.923 3.923 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000492209400 1038125063 /nfs/dbraw/zinc/12/50/63/1038125063.db2.gz LEWAXVKXRSBDFW-UHFFFAOYSA-N 2 1 336.495 3.627 20 0 EHADMP CCc1ccccc1C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC001168253240 1038201219 /nfs/dbraw/zinc/20/12/19/1038201219.db2.gz YOLFXDWNKNSUCP-UHFFFAOYSA-N 2 1 332.532 3.819 20 0 EHADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797314 1038534204 /nfs/dbraw/zinc/53/42/04/1038534204.db2.gz AMDVBDNZAVTVDO-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797314 1038534209 /nfs/dbraw/zinc/53/42/09/1038534209.db2.gz AMDVBDNZAVTVDO-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000538797314 1038534214 /nfs/dbraw/zinc/53/42/14/1038534214.db2.gz AMDVBDNZAVTVDO-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OCC ZINC000538797314 1038534219 /nfs/dbraw/zinc/53/42/19/1038534219.db2.gz AMDVBDNZAVTVDO-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000539045478 1038663402 /nfs/dbraw/zinc/66/34/02/1038663402.db2.gz AJSLJLSXJWWVTB-DGYCAGFBSA-N 3 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045478 1038663407 /nfs/dbraw/zinc/66/34/07/1038663407.db2.gz AJSLJLSXJWWVTB-DGYCAGFBSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045478 1038663412 /nfs/dbraw/zinc/66/34/12/1038663412.db2.gz AJSLJLSXJWWVTB-DGYCAGFBSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045478 1038663414 /nfs/dbraw/zinc/66/34/14/1038663414.db2.gz AJSLJLSXJWWVTB-DGYCAGFBSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045478 1038663419 /nfs/dbraw/zinc/66/34/19/1038663419.db2.gz AJSLJLSXJWWVTB-DGYCAGFBSA-N 2 1 343.559 3.605 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000539081457 1038674989 /nfs/dbraw/zinc/67/49/89/1038674989.db2.gz LBHZLYNINDCCFY-PXNSSMCTSA-N 2 1 344.499 3.702 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000149641807 1038686099 /nfs/dbraw/zinc/68/60/99/1038686099.db2.gz TYXJXIFZYGWBQZ-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP Cc1cc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)ccc1F ZINC000539200520 1038726328 /nfs/dbraw/zinc/72/63/28/1038726328.db2.gz NMRMXESZCWUOEN-FQEVSTJZSA-N 2 1 346.490 3.820 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853149 1038786289 /nfs/dbraw/zinc/78/62/89/1038786289.db2.gz OUVDHPLBHVVYSW-ATZDWAIDSA-N 2 1 337.939 3.653 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000479911049 1038886385 /nfs/dbraw/zinc/88/63/85/1038886385.db2.gz KJYOGAVWRJCTRL-MOPGFXCFSA-N 2 1 338.495 3.801 20 0 EHADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000552048073 1038916688 /nfs/dbraw/zinc/91/66/88/1038916688.db2.gz GFEKCVWFANXXCK-IBGZPJMESA-N 2 1 331.548 3.563 20 0 EHADMP OC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000552063660 1038930385 /nfs/dbraw/zinc/93/03/85/1038930385.db2.gz HPJGIGLXXVOUOD-PWRODBHTSA-N 2 1 342.527 3.572 20 0 EHADMP COc1ncccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000488198129 1038958480 /nfs/dbraw/zinc/95/84/80/1038958480.db2.gz HLZGDXPTPDJJDM-KRWDZBQOSA-N 2 1 331.504 3.567 20 0 EHADMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518745 1039190407 /nfs/dbraw/zinc/19/04/07/1039190407.db2.gz KXPRTZDVXXNIDQ-LFZDHENXSA-N 2 1 330.541 3.628 20 0 EHADMP Fc1cccc(CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000667640982 1039323256 /nfs/dbraw/zinc/32/32/56/1039323256.db2.gz GQFQMXJVXZXIJX-UHFFFAOYSA-N 2 1 336.414 3.614 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)c1 ZINC000554560747 1039477329 /nfs/dbraw/zinc/47/73/29/1039477329.db2.gz CGVDXMKRIPFGBI-FUHWJXTLSA-N 2 1 334.529 3.509 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)c1 ZINC000554560747 1039477336 /nfs/dbraw/zinc/47/73/36/1039477336.db2.gz CGVDXMKRIPFGBI-FUHWJXTLSA-N 2 1 334.529 3.509 20 0 EHADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311118941 1039519830 /nfs/dbraw/zinc/51/98/30/1039519830.db2.gz GQRZDMQGWVFREB-UNMCSNQZSA-N 2 1 338.495 3.612 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)ns2)CC1)CC(C)C ZINC000660171174 1039561403 /nfs/dbraw/zinc/56/14/03/1039561403.db2.gz JBYHZSBGMXUMPN-UHFFFAOYSA-N 2 1 339.549 3.732 20 0 EHADMP Clc1cnccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310293593 1039637264 /nfs/dbraw/zinc/63/72/64/1039637264.db2.gz SBFGSODUGFNJGJ-PKOBYXMFSA-N 2 1 341.886 3.689 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000480615073 1039759912 /nfs/dbraw/zinc/75/99/12/1039759912.db2.gz UTCHUAFZNZEMNB-UIFIKXQLSA-N 2 1 330.516 3.823 20 0 EHADMP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842159 1039797407 /nfs/dbraw/zinc/79/74/07/1039797407.db2.gz RJKDFTHQTGXYIX-WOJBJXKFSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842159 1039797422 /nfs/dbraw/zinc/79/74/22/1039797422.db2.gz RJKDFTHQTGXYIX-WOJBJXKFSA-N 2 1 332.532 3.674 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000554840990 1039797544 /nfs/dbraw/zinc/79/75/44/1039797544.db2.gz LIHLKRJFPFIREW-NRFANRHFSA-N 2 1 343.559 3.753 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000554840990 1039797563 /nfs/dbraw/zinc/79/75/63/1039797563.db2.gz LIHLKRJFPFIREW-NRFANRHFSA-N 2 1 343.559 3.753 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCC[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000645815930 1039999717 /nfs/dbraw/zinc/99/97/17/1039999717.db2.gz DCGOKXLPICSNBS-BHDDXSALSA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCC[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000645815930 1039999726 /nfs/dbraw/zinc/99/97/26/1039999726.db2.gz DCGOKXLPICSNBS-BHDDXSALSA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCC[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000645815930 1039999742 /nfs/dbraw/zinc/99/97/42/1039999742.db2.gz DCGOKXLPICSNBS-BHDDXSALSA-N 2 1 342.527 3.790 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786211 1040192361 /nfs/dbraw/zinc/19/23/61/1040192361.db2.gz LCFXSAZNBBIPLQ-MAODMQOUSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540415 1040332912 /nfs/dbraw/zinc/33/29/12/1040332912.db2.gz HHIGUQMOIFSOOD-OLZOCXBDSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540415 1040332927 /nfs/dbraw/zinc/33/29/27/1040332927.db2.gz HHIGUQMOIFSOOD-OLZOCXBDSA-N 2 1 348.288 3.557 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)C2 ZINC000490126788 1040364546 /nfs/dbraw/zinc/36/45/46/1040364546.db2.gz XZHYEEHJBNEEHM-LXGFNABISA-N 2 1 330.516 3.707 20 0 EHADMP C[N@H+]1CC[C@@H]2CCN(c3ccnc4cc(Br)ccc43)[C@@H]2C1 ZINC000486707660 1040369340 /nfs/dbraw/zinc/36/93/40/1040369340.db2.gz JOAWAYACUDIGAQ-SJKOYZFVSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@@H]2C1 ZINC000486707660 1040369360 /nfs/dbraw/zinc/36/93/60/1040369360.db2.gz JOAWAYACUDIGAQ-SJKOYZFVSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@@H]2C1 ZINC000486707660 1040369375 /nfs/dbraw/zinc/36/93/75/1040369375.db2.gz JOAWAYACUDIGAQ-SJKOYZFVSA-N 2 1 346.272 3.528 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365475 1040377303 /nfs/dbraw/zinc/37/73/03/1040377303.db2.gz SFDINAXOEQINEC-MEMLXQNLSA-N 3 1 341.543 3.633 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCN(CC3CC3)CC2)CC1 ZINC001168365475 1040377317 /nfs/dbraw/zinc/37/73/17/1040377317.db2.gz SFDINAXOEQINEC-MEMLXQNLSA-N 2 1 341.543 3.633 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCN(CC3CC3)CC2)CC1 ZINC001168365475 1040377337 /nfs/dbraw/zinc/37/73/37/1040377337.db2.gz SFDINAXOEQINEC-MEMLXQNLSA-N 2 1 341.543 3.633 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000310913539 1040389971 /nfs/dbraw/zinc/38/99/71/1040389971.db2.gz PPYCHXSMFZTARP-NXLVEIQXSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000490190826 1040394678 /nfs/dbraw/zinc/39/46/78/1040394678.db2.gz MWJMGDWKXGCTLR-UHFFFAOYSA-N 2 1 330.516 3.895 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512673989 1040486941 /nfs/dbraw/zinc/48/69/41/1040486941.db2.gz UMXPZAQIVLLWIU-IOMROCGXSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512673989 1040486948 /nfs/dbraw/zinc/48/69/48/1040486948.db2.gz UMXPZAQIVLLWIU-IOMROCGXSA-N 2 1 339.458 3.611 20 0 EHADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713019 1040586098 /nfs/dbraw/zinc/58/60/98/1040586098.db2.gz FWASVUHERPJICQ-NZSAHSFTSA-N 2 1 330.541 3.630 20 0 EHADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481418400 1040879642 /nfs/dbraw/zinc/87/96/42/1040879642.db2.gz UCNZQEXTDTXDEE-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481418400 1040879660 /nfs/dbraw/zinc/87/96/60/1040879660.db2.gz UCNZQEXTDTXDEE-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875190 1040953600 /nfs/dbraw/zinc/95/36/00/1040953600.db2.gz WAGHCUQZHPLNLR-UZLBHIALSA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875190 1040953618 /nfs/dbraw/zinc/95/36/18/1040953618.db2.gz WAGHCUQZHPLNLR-UZLBHIALSA-N 2 1 348.556 3.755 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCSC4)[C@H]3C2)cc1 ZINC000487562900 1040958145 /nfs/dbraw/zinc/95/81/45/1040958145.db2.gz TVFKFQXZCRCSMC-FYQPLNBISA-N 2 1 330.541 3.630 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162880643 1041046522 /nfs/dbraw/zinc/04/65/22/1041046522.db2.gz NSVHTUNOCHZLDK-FGTMMUONSA-N 2 1 334.504 3.625 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000629549982 1041106615 /nfs/dbraw/zinc/10/66/15/1041106615.db2.gz URVFGFGHGSJDPO-IOMROCGXSA-N 2 1 345.531 3.628 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570942975 1041123009 /nfs/dbraw/zinc/12/30/09/1041123009.db2.gz WUJUYYZEUORMJH-MRXNPFEDSA-N 2 1 345.874 3.579 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570942887 1041123539 /nfs/dbraw/zinc/12/35/39/1041123539.db2.gz WUJUYYZEUORMJH-INIZCTEOSA-N 2 1 345.874 3.579 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894135690 1041159138 /nfs/dbraw/zinc/15/91/38/1041159138.db2.gz ZIQBIRMKYWDLGC-HXUWFJFHSA-N 2 1 340.515 3.693 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759861922 1041221914 /nfs/dbraw/zinc/22/19/14/1041221914.db2.gz IKTIYVJLXOYFRN-SFHVURJKSA-N 2 1 342.886 3.565 20 0 EHADMP c1[nH+]c(C2CC[NH+](CC3Cc4ccccc4C3)CC2)n2c1CCCC2 ZINC000571217214 1041235888 /nfs/dbraw/zinc/23/58/88/1041235888.db2.gz VFMAYSPXHBBBAI-UHFFFAOYSA-N 2 1 335.495 3.814 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731681 1041306996 /nfs/dbraw/zinc/30/69/96/1041306996.db2.gz WCBMQXCHEMLMCZ-IERDGZPVSA-N 2 1 336.479 3.718 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704934 1041336611 /nfs/dbraw/zinc/33/66/11/1041336611.db2.gz UWUIYZQDLQJYBJ-VAMGGRTRSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704934 1041336625 /nfs/dbraw/zinc/33/66/25/1041336625.db2.gz UWUIYZQDLQJYBJ-VAMGGRTRSA-N 2 1 330.516 3.834 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487881 1041567904 /nfs/dbraw/zinc/56/79/04/1041567904.db2.gz OTSINOBREOVWEH-WOJBJXKFSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487881 1041567907 /nfs/dbraw/zinc/56/79/07/1041567907.db2.gz OTSINOBREOVWEH-WOJBJXKFSA-N 2 1 330.516 3.692 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(-c3cccc(C)c3)nc2C)C[C@@H]1C ZINC000651644690 1041836077 /nfs/dbraw/zinc/83/60/77/1041836077.db2.gz ZLRHTJYQFBQDDI-PXNSSMCTSA-N 2 1 340.515 3.794 20 0 EHADMP CCCC[NH+]1CCC(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000164441327 1042230280 /nfs/dbraw/zinc/23/02/80/1042230280.db2.gz IFEFMVGBHZXIOI-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652208334 1042271148 /nfs/dbraw/zinc/27/11/48/1042271148.db2.gz BDZYOOVPSQARID-UTKZUKDTSA-N 2 1 339.483 3.501 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2C)[C@H](C)C1 ZINC000652239698 1042285050 /nfs/dbraw/zinc/28/50/50/1042285050.db2.gz ABTJVNCNLAPTDO-GFOJFJKKSA-N 2 1 330.516 3.578 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)C1 ZINC000652348846 1042408875 /nfs/dbraw/zinc/40/88/75/1042408875.db2.gz UAHUVTRPEAHEBC-NUJGCVRESA-N 2 1 349.544 3.519 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662051036 1042485931 /nfs/dbraw/zinc/48/59/31/1042485931.db2.gz YCEUQIFNLKCYNU-LJQANCHMSA-N 2 1 328.500 3.721 20 0 EHADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC000662150658 1042546306 /nfs/dbraw/zinc/54/63/06/1042546306.db2.gz ZKEGEOXTUCQLKT-QGZVFWFLSA-N 2 1 344.886 3.524 20 0 EHADMP Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000662258362 1042641982 /nfs/dbraw/zinc/64/19/82/1042641982.db2.gz ZRENQLKFBYZBBU-VGOFRKELSA-N 2 1 336.479 3.603 20 0 EHADMP c1csc(-c2cnc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662294582 1042664504 /nfs/dbraw/zinc/66/45/04/1042664504.db2.gz QZQHUHQYOAFBJL-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662317600 1042682843 /nfs/dbraw/zinc/68/28/43/1042682843.db2.gz SMVUNNKSWHSWLD-IJEWVQPXSA-N 2 1 325.522 3.580 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662325395 1042685395 /nfs/dbraw/zinc/68/53/95/1042685395.db2.gz FPLFBCSRMKLELN-NRSPTQNISA-N 2 1 330.516 3.613 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@@H]1CCC[NH3+] ZINC000662317178 1042685419 /nfs/dbraw/zinc/68/54/19/1042685419.db2.gz OVWHDLMHLYUNHD-RHSMWYFYSA-N 2 1 331.435 3.820 20 0 EHADMP COc1cc2cc[nH+]c(NC[C@@H](c3ccco3)[NH+](C)C)c2cc1OC ZINC000663324841 1042685485 /nfs/dbraw/zinc/68/54/85/1042685485.db2.gz AQURNYWCZRHPBC-HNNXBMFYSA-N 2 1 341.411 3.560 20 0 EHADMP Cc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662328239 1042690307 /nfs/dbraw/zinc/69/03/07/1042690307.db2.gz PRNDQUPVAZSESW-UHFFFAOYSA-N 2 1 338.499 3.565 20 0 EHADMP COc1ccc2nc(CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)sc2c1 ZINC000663344023 1042726797 /nfs/dbraw/zinc/72/67/97/1042726797.db2.gz MKCZNSWBQVQNCF-HNNXBMFYSA-N 2 1 345.512 3.517 20 0 EHADMP FC(F)(F)c1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343947 1042726927 /nfs/dbraw/zinc/72/69/27/1042726927.db2.gz KNWNCUGHGSLVMY-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343947 1042726932 /nfs/dbraw/zinc/72/69/32/1042726932.db2.gz KNWNCUGHGSLVMY-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343947 1042726939 /nfs/dbraw/zinc/72/69/39/1042726939.db2.gz KNWNCUGHGSLVMY-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP COc1ccc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278886802 1042836942 /nfs/dbraw/zinc/83/69/42/1042836942.db2.gz NSUYROANPCKSPY-UHFFFAOYSA-N 2 1 339.483 3.650 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467197 1042890592 /nfs/dbraw/zinc/89/05/92/1042890592.db2.gz DIQMLKIBIDCZAQ-NVXWUHKLSA-N 2 1 333.495 3.664 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467197 1042890597 /nfs/dbraw/zinc/89/05/97/1042890597.db2.gz DIQMLKIBIDCZAQ-NVXWUHKLSA-N 2 1 333.495 3.664 20 0 EHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466540 1042892825 /nfs/dbraw/zinc/89/28/25/1042892825.db2.gz VESSZUWTRZKBIK-HNAYVOBHSA-N 2 1 332.463 3.533 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001167826023 1042958271 /nfs/dbraw/zinc/95/82/71/1042958271.db2.gz MBEPXZPBHRIADE-DLBZAZTESA-N 2 1 326.525 3.551 20 0 EHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000585688651 1042967175 /nfs/dbraw/zinc/96/71/75/1042967175.db2.gz CDVFRESIFTVSJG-QGZVFWFLSA-N 2 1 349.519 3.506 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925786951 1042978845 /nfs/dbraw/zinc/97/88/45/1042978845.db2.gz YCTDDSAAZJBUGT-JQWIXIFHSA-N 2 1 331.476 3.644 20 0 EHADMP CCOc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278939505 1043043108 /nfs/dbraw/zinc/04/31/08/1043043108.db2.gz UHUKRZXIOSHIIE-UHFFFAOYSA-N 2 1 339.483 3.998 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167838691 1043052197 /nfs/dbraw/zinc/05/21/97/1043052197.db2.gz VZSWWYBSDYENPP-UNMCSNQZSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167838691 1043052207 /nfs/dbraw/zinc/05/22/07/1043052207.db2.gz VZSWWYBSDYENPP-UNMCSNQZSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167838691 1043052215 /nfs/dbraw/zinc/05/22/15/1043052215.db2.gz VZSWWYBSDYENPP-UNMCSNQZSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001167838691 1043052228 /nfs/dbraw/zinc/05/22/28/1043052228.db2.gz VZSWWYBSDYENPP-UNMCSNQZSA-N 2 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001167838691 1043052237 /nfs/dbraw/zinc/05/22/37/1043052237.db2.gz VZSWWYBSDYENPP-UNMCSNQZSA-N 2 1 345.575 3.951 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+]C2c3ccccc3-c3ccccc32)CCCO1 ZINC000432412176 1043117410 /nfs/dbraw/zinc/11/74/10/1043117410.db2.gz FEAJMFBBUGPYFL-KRWDZBQOSA-N 2 1 336.479 3.847 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2c3ccccc3-c3ccccc32)CCCO1 ZINC000432412176 1043117417 /nfs/dbraw/zinc/11/74/17/1043117417.db2.gz FEAJMFBBUGPYFL-KRWDZBQOSA-N 2 1 336.479 3.847 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc2ccccc21 ZINC000432418719 1043141916 /nfs/dbraw/zinc/14/19/16/1043141916.db2.gz UWUBXIHOKKBMHU-ZWKOTPCHSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc2ccccc21 ZINC000432418719 1043141922 /nfs/dbraw/zinc/14/19/22/1043141922.db2.gz UWUBXIHOKKBMHU-ZWKOTPCHSA-N 2 1 326.484 3.991 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419054 1043145475 /nfs/dbraw/zinc/14/54/75/1043145475.db2.gz YOMZVRKHBMWMAV-AZUAARDMSA-N 2 1 330.516 3.771 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432424585 1043163139 /nfs/dbraw/zinc/16/31/39/1043163139.db2.gz PHDUGEXESDKCQR-UYAOXDASSA-N 2 1 346.515 3.608 20 0 EHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000279004235 1043181178 /nfs/dbraw/zinc/18/11/78/1043181178.db2.gz RWOPLCNISDZCHX-QLFBSQMISA-N 2 1 340.496 3.837 20 0 EHADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000512184131 1043742441 /nfs/dbraw/zinc/74/24/41/1043742441.db2.gz WWNGUJNFXUESSD-KDURUIRLSA-N 2 1 330.516 3.625 20 0 EHADMP Cc1cc(CO)cc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741500 1043890409 /nfs/dbraw/zinc/89/04/09/1043890409.db2.gz PHSMEJCVZOMOOP-PKOBYXMFSA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741500 1043890429 /nfs/dbraw/zinc/89/04/29/1043890429.db2.gz PHSMEJCVZOMOOP-PKOBYXMFSA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741499 1043890757 /nfs/dbraw/zinc/89/07/57/1043890757.db2.gz PHSMEJCVZOMOOP-MJGOQNOKSA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741499 1043890779 /nfs/dbraw/zinc/89/07/79/1043890779.db2.gz PHSMEJCVZOMOOP-MJGOQNOKSA-N 2 1 339.483 3.595 20 0 EHADMP Nc1cccc2c1cc[nH+]c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000663768039 1044231579 /nfs/dbraw/zinc/23/15/79/1044231579.db2.gz DUIIHTJITHAMJA-UHFFFAOYSA-N 2 1 333.439 3.541 20 0 EHADMP c1ccc(C[N@@H+](Cc2ccc3ncccc3c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261605866 1044571545 /nfs/dbraw/zinc/57/15/45/1044571545.db2.gz BFOBYYSYGJKJAR-NRFANRHFSA-N 2 1 346.478 3.774 20 0 EHADMP c1ccc(C[N@H+](Cc2ccc3ncccc3c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261605866 1044571562 /nfs/dbraw/zinc/57/15/62/1044571562.db2.gz BFOBYYSYGJKJAR-NRFANRHFSA-N 2 1 346.478 3.774 20 0 EHADMP CCSc1ccccc1[C@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154478090 1125721040 /nfs/dbraw/zinc/72/10/40/1125721040.db2.gz SLXQAJQWUKAQDU-SFHVURJKSA-N 2 1 349.588 3.867 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000671297214 1126874943 /nfs/dbraw/zinc/87/49/43/1126874943.db2.gz NDCZAXCKZFJIJU-WVEUWMMBSA-N 2 1 328.500 3.792 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000671297214 1126874946 /nfs/dbraw/zinc/87/49/46/1126874946.db2.gz NDCZAXCKZFJIJU-WVEUWMMBSA-N 2 1 328.500 3.792 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447081 1126958047 /nfs/dbraw/zinc/95/80/47/1126958047.db2.gz CIYIIAUOTGLYOW-GOSISDBHSA-N 2 1 340.515 3.958 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623447081 1126958048 /nfs/dbraw/zinc/95/80/48/1126958048.db2.gz CIYIIAUOTGLYOW-GOSISDBHSA-N 2 1 340.515 3.958 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447081 1126958049 /nfs/dbraw/zinc/95/80/49/1126958049.db2.gz CIYIIAUOTGLYOW-GOSISDBHSA-N 2 1 340.515 3.958 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)ccc2n1C1CC1 ZINC000623515586 1126973480 /nfs/dbraw/zinc/97/34/80/1126973480.db2.gz HKJCKNXQEAKRHP-MRXNPFEDSA-N 2 1 340.515 3.896 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)ccc2n1C1CC1 ZINC000623515586 1126973482 /nfs/dbraw/zinc/97/34/82/1126973482.db2.gz HKJCKNXQEAKRHP-MRXNPFEDSA-N 2 1 340.515 3.896 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623860833 1127200332 /nfs/dbraw/zinc/20/03/32/1127200332.db2.gz GTEDQALLPPVYCN-KBPBESRZSA-N 2 1 337.305 3.892 20 0 EHADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000623944399 1127220024 /nfs/dbraw/zinc/22/00/24/1127220024.db2.gz CFPDVRZDQVZXNG-LJQANCHMSA-N 2 1 344.547 3.502 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000624123166 1127256444 /nfs/dbraw/zinc/25/64/44/1127256444.db2.gz GZTIEKPIRNDGES-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(Br)c1 ZINC000181728362 1127292119 /nfs/dbraw/zinc/29/21/19/1127292119.db2.gz TZKTWMQJSVUSKM-WBMJQRKESA-N 2 1 343.284 3.971 20 0 EHADMP C([NH+]1CCC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@@H]32)COC1 ZINC000182191378 1127316028 /nfs/dbraw/zinc/31/60/28/1127316028.db2.gz SKKXQJYPEVADEB-JVSBHGNQSA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@H]2CCC[C@@H]21)C1(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)COC1 ZINC000182191378 1127316033 /nfs/dbraw/zinc/31/60/33/1127316033.db2.gz SKKXQJYPEVADEB-JVSBHGNQSA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)COC1 ZINC000182191378 1127316037 /nfs/dbraw/zinc/31/60/37/1127316037.db2.gz SKKXQJYPEVADEB-JVSBHGNQSA-N 2 1 332.532 3.532 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1nccn1C ZINC000182465411 1127331280 /nfs/dbraw/zinc/33/12/80/1127331280.db2.gz SBUYRLNQXAMMDX-KURKYZTESA-N 2 1 340.515 3.749 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000368062184 1127413193 /nfs/dbraw/zinc/41/31/93/1127413193.db2.gz RCQCBLOPFVIOCJ-WLRLJWMZSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H]1CC[NH3+] ZINC000404435362 1127433009 /nfs/dbraw/zinc/43/30/09/1127433009.db2.gz QXRRMBOJWKFKOF-BBRMVZONSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H]1CC[NH3+] ZINC000404435362 1127433012 /nfs/dbraw/zinc/43/30/12/1127433012.db2.gz QXRRMBOJWKFKOF-BBRMVZONSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298322 1127460549 /nfs/dbraw/zinc/46/05/49/1127460549.db2.gz OWHRXZZDRDUJLT-ZWKOTPCHSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298322 1127460552 /nfs/dbraw/zinc/46/05/52/1127460552.db2.gz OWHRXZZDRDUJLT-ZWKOTPCHSA-N 2 1 326.488 3.787 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCCC2 ZINC000386003053 1127618453 /nfs/dbraw/zinc/61/84/53/1127618453.db2.gz UCWMNOPVSVDXRF-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cncc(F)c1 ZINC000386325550 1127662550 /nfs/dbraw/zinc/66/25/50/1127662550.db2.gz LKCXZECLAQYZCH-APMMZXSISA-N 2 1 339.458 3.782 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921581765 1127756369 /nfs/dbraw/zinc/75/63/69/1127756369.db2.gz NNNYQVIEDSJVCC-SFHVURJKSA-N 2 1 325.456 3.695 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000062427069 1128134354 /nfs/dbraw/zinc/13/43/54/1128134354.db2.gz JNKLHNMZANJQMG-AWEZNQCLSA-N 2 1 332.879 3.550 20 0 EHADMP Cc1nc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000671742074 1128180712 /nfs/dbraw/zinc/18/07/12/1128180712.db2.gz XVHKODSXNUXNJX-UHFFFAOYSA-N 2 1 329.513 3.984 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@@H]2CCC[C@H]21 ZINC000671744453 1128183112 /nfs/dbraw/zinc/18/31/12/1128183112.db2.gz JERYKROHBOFUPR-JENIJYKNSA-N 2 1 331.891 3.826 20 0 EHADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001649096136 1128228000 /nfs/dbraw/zinc/22/80/00/1128228000.db2.gz NTDVZJJSFGTSDJ-HXUWFJFHSA-N 2 1 338.495 3.658 20 0 EHADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001649096136 1128228001 /nfs/dbraw/zinc/22/80/01/1128228001.db2.gz NTDVZJJSFGTSDJ-HXUWFJFHSA-N 2 1 338.495 3.658 20 0 EHADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623073 1128477643 /nfs/dbraw/zinc/47/76/43/1128477643.db2.gz RDVUBBLAGMVSKK-ROUUACIJSA-N 2 1 338.923 3.862 20 0 EHADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623073 1128477647 /nfs/dbraw/zinc/47/76/47/1128477647.db2.gz RDVUBBLAGMVSKK-ROUUACIJSA-N 2 1 338.923 3.862 20 0 EHADMP CCSc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461048 1128517750 /nfs/dbraw/zinc/51/77/50/1128517750.db2.gz NVDXSJSORPKQFJ-JQHSSLGASA-N 2 1 334.529 3.517 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H](SC)C3)CCCC2)CC1 ZINC000921713469 1128658540 /nfs/dbraw/zinc/65/85/40/1128658540.db2.gz NBFPZUDXVCGVMW-SJLPKXTDSA-N 2 1 340.577 3.674 20 0 EHADMP CSC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542847870 1128687050 /nfs/dbraw/zinc/68/70/50/1128687050.db2.gz VLXQMORDFXQTQH-OAHLLOKOSA-N 2 1 332.435 3.793 20 0 EHADMP CCCCCN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC001648828691 1120050342 /nfs/dbraw/zinc/05/03/42/1120050342.db2.gz QDDRAJZFANQCCO-QGZVFWFLSA-N 2 1 335.511 3.884 20 0 EHADMP CCCCCN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC001648828691 1120050348 /nfs/dbraw/zinc/05/03/48/1120050348.db2.gz QDDRAJZFANQCCO-QGZVFWFLSA-N 2 1 335.511 3.884 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3C[C@@H](C)C[C@H](C)C3)CC2)oc1C ZINC000127927284 1120124014 /nfs/dbraw/zinc/12/40/14/1120124014.db2.gz RKHSYLIJDPBXRI-GJZGRUSLSA-N 2 1 333.520 3.918 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168026930 1120199740 /nfs/dbraw/zinc/19/97/40/1120199740.db2.gz HKQAOGXXSFSCMF-UHFFFAOYSA-N 2 1 330.394 3.637 20 0 EHADMP Brc1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000184676525 1120383479 /nfs/dbraw/zinc/38/34/79/1120383479.db2.gz ABKQAAGRGSDJTP-GOEBONIOSA-N 2 1 348.288 3.647 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2n1C1CC1 ZINC000338773675 1128945650 /nfs/dbraw/zinc/94/56/50/1128945650.db2.gz NIYMWKNVJBNHFT-AEFFLSMTSA-N 2 1 338.499 3.650 20 0 EHADMP CC[N@@H+](C/C=C\c1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494980048 1120922048 /nfs/dbraw/zinc/92/20/48/1120922048.db2.gz ZRUBGWINLQNBOW-AZYNXAEESA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C\c1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494980048 1120922049 /nfs/dbraw/zinc/92/20/49/1120922049.db2.gz ZRUBGWINLQNBOW-AZYNXAEESA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C\c1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494980048 1120922050 /nfs/dbraw/zinc/92/20/50/1120922050.db2.gz ZRUBGWINLQNBOW-AZYNXAEESA-N 2 1 335.495 3.939 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000762076178 1121093590 /nfs/dbraw/zinc/09/35/90/1121093590.db2.gz UAGHJNWNNMXUPS-UHFFFAOYSA-N 2 1 343.500 3.740 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000762076178 1121093598 /nfs/dbraw/zinc/09/35/98/1121093598.db2.gz UAGHJNWNNMXUPS-UHFFFAOYSA-N 2 1 343.500 3.740 20 0 EHADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000236073143 1121438964 /nfs/dbraw/zinc/43/89/64/1121438964.db2.gz GAUKGJMXZZJUHK-QWHCGFSZSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000236073143 1121438968 /nfs/dbraw/zinc/43/89/68/1121438968.db2.gz GAUKGJMXZZJUHK-QWHCGFSZSA-N 2 1 343.696 3.819 20 0 EHADMP c1cc2c(cccc2C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000236738069 1121462288 /nfs/dbraw/zinc/46/22/88/1121462288.db2.gz QNOLMILKYSQKRF-IBGZPJMESA-N 2 1 333.479 3.822 20 0 EHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000238122392 1121503487 /nfs/dbraw/zinc/50/34/87/1121503487.db2.gz ULQTXPNLAVPLCZ-HXUWFJFHSA-N 2 1 344.886 3.628 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000171764786 1121751546 /nfs/dbraw/zinc/75/15/46/1121751546.db2.gz WDZOORPDQPYOCT-LBPRGKRZSA-N 2 1 327.350 3.516 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496956931 1122218518 /nfs/dbraw/zinc/21/85/18/1122218518.db2.gz LYYNUZZGDKIVGB-RDJZCZTQSA-N 2 1 347.503 3.914 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123482577 1122253861 /nfs/dbraw/zinc/25/38/61/1122253861.db2.gz WPAHDBMMAXREDH-CQSZACIVSA-N 2 1 348.516 3.913 20 0 EHADMP Cc1nccn1CCCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000125544933 1122320109 /nfs/dbraw/zinc/32/01/09/1122320109.db2.gz VTOSYXDTWYDLKY-NRFANRHFSA-N 2 1 341.499 3.734 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000125544933 1122320113 /nfs/dbraw/zinc/32/01/13/1122320113.db2.gz VTOSYXDTWYDLKY-NRFANRHFSA-N 2 1 341.499 3.734 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000125544933 1122320119 /nfs/dbraw/zinc/32/01/19/1122320119.db2.gz VTOSYXDTWYDLKY-NRFANRHFSA-N 2 1 341.499 3.734 20 0 EHADMP CC1(C)CC([NH2+]Cc2ccc(Br)c(F)c2)CC(C)(C)[NH2+]1 ZINC000127367405 1122479582 /nfs/dbraw/zinc/47/95/82/1122479582.db2.gz XOTFQYXXOZKRLR-UHFFFAOYSA-N 2 1 343.284 3.987 20 0 EHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128233861 1122540566 /nfs/dbraw/zinc/54/05/66/1122540566.db2.gz CPXFDGIRQSRQLQ-LJQANCHMSA-N 2 1 331.548 3.563 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556061912 1122799868 /nfs/dbraw/zinc/79/98/68/1122799868.db2.gz FBGKKSQFIDEPND-RZFNWQHOSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556061912 1122799872 /nfs/dbraw/zinc/79/98/72/1122799872.db2.gz FBGKKSQFIDEPND-RZFNWQHOSA-N 2 1 349.522 3.863 20 0 EHADMP C[NH+](C)CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000556094029 1122809197 /nfs/dbraw/zinc/80/91/97/1122809197.db2.gz ONFCPBFQSAKMEZ-ZCNNSNEGSA-N 2 1 331.548 3.778 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000556094029 1122809201 /nfs/dbraw/zinc/80/92/01/1122809201.db2.gz ONFCPBFQSAKMEZ-ZCNNSNEGSA-N 2 1 331.548 3.778 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000556106612 1122817824 /nfs/dbraw/zinc/81/78/24/1122817824.db2.gz NORKUCVZVWNZAG-UNMCSNQZSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000556106612 1122817831 /nfs/dbraw/zinc/81/78/31/1122817831.db2.gz NORKUCVZVWNZAG-UNMCSNQZSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000556106612 1122817838 /nfs/dbraw/zinc/81/78/38/1122817838.db2.gz NORKUCVZVWNZAG-UNMCSNQZSA-N 2 1 343.559 3.846 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556119213 1122827392 /nfs/dbraw/zinc/82/73/92/1122827392.db2.gz RWDIHLRQJKINHC-JXFKEZNVSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556119213 1122827401 /nfs/dbraw/zinc/82/74/01/1122827401.db2.gz RWDIHLRQJKINHC-JXFKEZNVSA-N 2 1 346.421 3.769 20 0 EHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000556876282 1123157994 /nfs/dbraw/zinc/15/79/94/1123157994.db2.gz OFZCVFWJMACDDK-GOSISDBHSA-N 2 1 331.548 3.562 20 0 EHADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556886971 1123168019 /nfs/dbraw/zinc/16/80/19/1123168019.db2.gz YLNVZEWPAHTCMV-GKYDQMIMSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556924589 1123212632 /nfs/dbraw/zinc/21/26/32/1123212632.db2.gz UHQKXQAMWZCXBD-ZBFHGGJFSA-N 2 1 326.406 3.829 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000557014827 1123264891 /nfs/dbraw/zinc/26/48/91/1123264891.db2.gz YUECWMYLFUKPPG-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000557014827 1123264893 /nfs/dbraw/zinc/26/48/93/1123264893.db2.gz YUECWMYLFUKPPG-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000557014827 1123264895 /nfs/dbraw/zinc/26/48/95/1123264895.db2.gz YUECWMYLFUKPPG-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000557014827 1123264897 /nfs/dbraw/zinc/26/48/97/1123264897.db2.gz YUECWMYLFUKPPG-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000347476675 1123300446 /nfs/dbraw/zinc/30/04/46/1123300446.db2.gz OXIFUKGWIKLIHV-UHFFFAOYSA-N 2 1 332.536 3.702 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347476675 1123300448 /nfs/dbraw/zinc/30/04/48/1123300448.db2.gz OXIFUKGWIKLIHV-UHFFFAOYSA-N 2 1 332.536 3.702 20 0 EHADMP COc1c(C)cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000920178270 1123326379 /nfs/dbraw/zinc/32/63/79/1123326379.db2.gz ZWWLZHUTNDBCCH-UHFFFAOYSA-N 2 1 338.495 3.850 20 0 EHADMP COc1c(C)cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000920178270 1123326386 /nfs/dbraw/zinc/32/63/86/1123326386.db2.gz ZWWLZHUTNDBCCH-UHFFFAOYSA-N 2 1 338.495 3.850 20 0 EHADMP CSc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927277 1123566227 /nfs/dbraw/zinc/56/62/27/1123566227.db2.gz FGPFAARRTFSYAL-UZLBHIALSA-N 2 1 346.540 3.736 20 0 EHADMP CSc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134927277 1123566230 /nfs/dbraw/zinc/56/62/30/1123566230.db2.gz FGPFAARRTFSYAL-UZLBHIALSA-N 2 1 346.540 3.736 20 0 EHADMP CSc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134927277 1123566233 /nfs/dbraw/zinc/56/62/33/1123566233.db2.gz FGPFAARRTFSYAL-UZLBHIALSA-N 2 1 346.540 3.736 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245719968 1123936342 /nfs/dbraw/zinc/93/63/42/1123936342.db2.gz OODGGWFHJOZVJP-KJJMTIBFSA-N 2 1 344.543 3.959 20 0 EHADMP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000245955208 1123989685 /nfs/dbraw/zinc/98/96/85/1123989685.db2.gz CMHJGSPKEQTCNR-FVJLSDCUSA-N 2 1 346.515 3.625 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000246081097 1124015516 /nfs/dbraw/zinc/01/55/16/1124015516.db2.gz FUKKSSNHYKOZQO-SJLPKXTDSA-N 2 1 334.504 3.694 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000246081097 1124015522 /nfs/dbraw/zinc/01/55/22/1124015522.db2.gz FUKKSSNHYKOZQO-SJLPKXTDSA-N 2 1 334.504 3.694 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000246308389 1124081798 /nfs/dbraw/zinc/08/17/98/1124081798.db2.gz DPDJBVJTDUGPRN-QMMLZNLJSA-N 2 1 330.516 3.791 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064537 1124585544 /nfs/dbraw/zinc/58/55/44/1124585544.db2.gz NZUGPZGTKVBAJK-YAJHFMINSA-N 2 1 349.950 3.795 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000247223386 1124595184 /nfs/dbraw/zinc/59/51/84/1124595184.db2.gz VZRQOZQAGSUZJQ-YWZLYKJASA-N 2 1 340.467 3.890 20 0 EHADMP COc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000247929049 1124631064 /nfs/dbraw/zinc/63/10/64/1124631064.db2.gz BVZPDMHOPOKCCR-TXPKVOOTSA-N 2 1 346.515 3.835 20 0 EHADMP COc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000247929049 1124631067 /nfs/dbraw/zinc/63/10/67/1124631067.db2.gz BVZPDMHOPOKCCR-TXPKVOOTSA-N 2 1 346.515 3.835 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000248163693 1124644513 /nfs/dbraw/zinc/64/45/13/1124644513.db2.gz SOHTWYRXVQWGDH-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000248163693 1124644516 /nfs/dbraw/zinc/64/45/16/1124644516.db2.gz SOHTWYRXVQWGDH-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000248163693 1124644518 /nfs/dbraw/zinc/64/45/18/1124644518.db2.gz SOHTWYRXVQWGDH-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000248448656 1124664216 /nfs/dbraw/zinc/66/42/16/1124664216.db2.gz OBXALMZRZFZSPM-GHTZIAJQSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(C)(C)C)cc1 ZINC000248943865 1124719870 /nfs/dbraw/zinc/71/98/70/1124719870.db2.gz ZBSIRJQGVSERSC-MJGOQNOKSA-N 2 1 348.531 3.751 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000249074765 1124734475 /nfs/dbraw/zinc/73/44/75/1124734475.db2.gz LMKXYNFEKZWVBI-SNPRPXQTSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000249074765 1124734477 /nfs/dbraw/zinc/73/44/77/1124734477.db2.gz LMKXYNFEKZWVBI-SNPRPXQTSA-N 2 1 342.314 3.644 20 0 EHADMP Cc1cccc(CC[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000089594771 1124824175 /nfs/dbraw/zinc/82/41/75/1124824175.db2.gz SCWDPFKHDHOXID-FQEVSTJZSA-N 2 1 344.543 3.941 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000089721711 1124841918 /nfs/dbraw/zinc/84/19/18/1124841918.db2.gz JAKGFNIYPIHIBT-DEPWHIHDSA-N 2 1 330.516 3.789 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206155 1124968837 /nfs/dbraw/zinc/96/88/37/1124968837.db2.gz AALOTFOWRRRFST-AEFFLSMTSA-N 2 1 327.447 3.611 20 0 EHADMP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000252425726 1124985188 /nfs/dbraw/zinc/98/51/88/1124985188.db2.gz PLKXCBYNUQCCIZ-TZMCWYRMSA-N 2 1 341.293 3.593 20 0 EHADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000252425726 1124985193 /nfs/dbraw/zinc/98/51/93/1124985193.db2.gz PLKXCBYNUQCCIZ-TZMCWYRMSA-N 2 1 341.293 3.593 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000163132308 1125442986 /nfs/dbraw/zinc/44/29/86/1125442986.db2.gz XRKZMLFDBZAHHE-YWZLYKJASA-N 2 1 327.472 3.773 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168705020 1129214878 /nfs/dbraw/zinc/21/48/78/1129214878.db2.gz PYQGYNSIHAQGIX-YJBOKZPZSA-N 2 1 328.887 3.904 20 0 EHADMP C[NH+](C)CC[C@H](N[C@H]1CCOC2(CCCCC2)C1)c1cccnc1 ZINC000922628861 1129604098 /nfs/dbraw/zinc/60/40/98/1129604098.db2.gz GWIYUBXURQMCIB-OALUTQOASA-N 2 1 331.504 3.546 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000922730112 1129646325 /nfs/dbraw/zinc/64/63/25/1129646325.db2.gz JDQGHKIZPXUFRJ-QSPRXWTASA-N 2 1 326.406 3.828 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000922730112 1129646326 /nfs/dbraw/zinc/64/63/26/1129646326.db2.gz JDQGHKIZPXUFRJ-QSPRXWTASA-N 2 1 326.406 3.828 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000282381333 1129672493 /nfs/dbraw/zinc/67/24/93/1129672493.db2.gz XACQZSBBCOUJAH-VMXMFDLUSA-N 2 1 330.516 3.834 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000282381333 1129672495 /nfs/dbraw/zinc/67/24/95/1129672495.db2.gz XACQZSBBCOUJAH-VMXMFDLUSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cnn(-c2ccccc2)c1 ZINC000766044943 1129930775 /nfs/dbraw/zinc/93/07/75/1129930775.db2.gz NCZTYRXBBLFCPZ-VQIMIIECSA-N 2 1 328.504 3.889 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000658146084 1130197705 /nfs/dbraw/zinc/19/77/05/1130197705.db2.gz USVAFIYRCGKFLS-XMSQKQJNSA-N 2 1 338.495 3.721 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1cc(C)ccc1C ZINC000429252643 1130373408 /nfs/dbraw/zinc/37/34/08/1130373408.db2.gz LYTJCJMGYUXNCR-UHFFFAOYSA-N 2 1 329.488 3.853 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1cc(C)ccc1C ZINC000429252643 1130373412 /nfs/dbraw/zinc/37/34/12/1130373412.db2.gz LYTJCJMGYUXNCR-UHFFFAOYSA-N 2 1 329.488 3.853 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675749885 1130464984 /nfs/dbraw/zinc/46/49/84/1130464984.db2.gz CHVADIGADOVXNA-RTBURBONSA-N 3 1 343.559 3.738 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC000675797216 1130477919 /nfs/dbraw/zinc/47/79/19/1130477919.db2.gz PYVYNMHAOIEHON-UHFFFAOYSA-N 2 1 331.504 3.757 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(Cl)c1 ZINC000675880819 1130500031 /nfs/dbraw/zinc/50/00/31/1130500031.db2.gz HHEDEMCMOCELTE-CJNGLKHVSA-N 2 1 340.870 3.773 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000675882593 1130501310 /nfs/dbraw/zinc/50/13/10/1130501310.db2.gz SJAZKLCTKBGUAF-PXNSSMCTSA-N 2 1 328.500 3.642 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222329 1130547256 /nfs/dbraw/zinc/54/72/56/1130547256.db2.gz KVGABIZREVAZPW-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222329 1130547259 /nfs/dbraw/zinc/54/72/59/1130547259.db2.gz KVGABIZREVAZPW-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222329 1130547263 /nfs/dbraw/zinc/54/72/63/1130547263.db2.gz KVGABIZREVAZPW-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP CC(C)COCC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172472697 1131734655 /nfs/dbraw/zinc/73/46/55/1131734655.db2.gz QBJYWSQTVSCIIE-QWFCFKBJSA-N 2 1 333.520 3.605 20 0 EHADMP CC1(C)CC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC(C)(C)O1 ZINC001172654014 1131800813 /nfs/dbraw/zinc/80/08/13/1131800813.db2.gz SRTHJUYEYXHVJM-UHFFFAOYSA-N 2 1 334.479 3.812 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719623 1131820625 /nfs/dbraw/zinc/82/06/25/1131820625.db2.gz VTEILHNLHDSMEI-SFHVURJKSA-N 2 1 341.886 3.750 20 0 EHADMP Cc1ccc[nH+]c1N([C@H]1Cc2ccc(Cl)cc2C1)C1CC[NH2+]CC1 ZINC001172723749 1131824450 /nfs/dbraw/zinc/82/44/50/1131824450.db2.gz WJASKZWWPFXEAV-IBGZPJMESA-N 2 1 341.886 3.769 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172756719 1131836704 /nfs/dbraw/zinc/83/67/04/1131836704.db2.gz PUGQTJIGCHZGLX-UYAOXDASSA-N 2 1 346.515 3.609 20 0 EHADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)s2)cc1 ZINC001206175727 1131841524 /nfs/dbraw/zinc/84/15/24/1131841524.db2.gz XNGPUCBMCNDKJL-DLBZAZTESA-N 2 1 334.460 3.685 20 0 EHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172862183 1131879978 /nfs/dbraw/zinc/87/99/78/1131879978.db2.gz OXMIBVXFKURKMG-HNNXBMFYSA-N 2 1 347.865 3.936 20 0 EHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172874042 1131893400 /nfs/dbraw/zinc/89/34/00/1131893400.db2.gz ZUKULKMXIITLTH-OAHLLOKOSA-N 2 1 347.865 3.936 20 0 EHADMP Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc(F)cc3Cl)CC2)cc[nH+]1 ZINC001172873971 1131894097 /nfs/dbraw/zinc/89/40/97/1131894097.db2.gz YQFWDKZIXVJYCQ-OAHLLOKOSA-N 2 1 347.865 3.936 20 0 EHADMP CO[C@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172941632 1131912934 /nfs/dbraw/zinc/91/29/34/1131912934.db2.gz GDJDCSRGYGGBMJ-RTWAWAEBSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042776 1131940413 /nfs/dbraw/zinc/94/04/13/1131940413.db2.gz KRRLWHVAAGIIHW-SFHVURJKSA-N 2 1 330.516 3.823 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042775 1131940785 /nfs/dbraw/zinc/94/07/85/1131940785.db2.gz KRRLWHVAAGIIHW-GOSISDBHSA-N 2 1 330.516 3.823 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001173113707 1131971441 /nfs/dbraw/zinc/97/14/41/1131971441.db2.gz KOOWRMWCDWYOLP-SEEARECTSA-N 2 1 344.425 3.996 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634339 1132436890 /nfs/dbraw/zinc/43/68/90/1132436890.db2.gz VAVQZQUXTFQDLC-AZUAARDMSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379634339 1132436892 /nfs/dbraw/zinc/43/68/92/1132436892.db2.gz VAVQZQUXTFQDLC-AZUAARDMSA-N 2 1 330.516 3.572 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(Br)cc31)C2 ZINC001169080951 1132657970 /nfs/dbraw/zinc/65/79/70/1132657970.db2.gz NYJHEGUEYYOCIH-PNBKFKSVSA-N 2 1 335.289 3.651 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OCc3ccccc3)c1)C2 ZINC001169090242 1132660907 /nfs/dbraw/zinc/66/09/07/1132660907.db2.gz IYWSWCJNUBWPPO-WKCHPHFGSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OCc3ccccc3)c1)C2 ZINC001169090242 1132660912 /nfs/dbraw/zinc/66/09/12/1132660912.db2.gz IYWSWCJNUBWPPO-WKCHPHFGSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccn3)CCC(F)(F)CC1)C2 ZINC001169117179 1132662223 /nfs/dbraw/zinc/66/22/23/1132662223.db2.gz XIGNTDNVYBKWPB-BCDXTJNWSA-N 2 1 349.469 3.787 20 0 EHADMP COc1ccccc1CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169119802 1132663284 /nfs/dbraw/zinc/66/32/84/1132663284.db2.gz WHUVONMOSIDVJM-REPLKXPHSA-N 2 1 328.500 3.623 20 0 EHADMP COc1cccc(CC2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169118343 1132663950 /nfs/dbraw/zinc/66/39/50/1132663950.db2.gz HSQILIZOSPBPSG-LDLYASANSA-N 2 1 328.500 3.623 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118324 1132664213 /nfs/dbraw/zinc/66/42/13/1132664213.db2.gz HJAJZMIYDQENRI-WOZUAGRISA-N 2 1 346.490 3.898 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124738 1132665491 /nfs/dbraw/zinc/66/54/91/1132665491.db2.gz OQBWMEXCKDUCMQ-PKOBYXMFSA-N 2 1 338.499 3.615 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(Cl)c3)CC1)C2 ZINC001169111810 1132671027 /nfs/dbraw/zinc/67/10/27/1132671027.db2.gz POIYLZURMAAYBS-ACDBMABISA-N 2 1 347.934 3.519 20 0 EHADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444648 1132672783 /nfs/dbraw/zinc/67/27/83/1132672783.db2.gz LTNZAFYXFNWIQN-PXNSSMCTSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444648 1132672789 /nfs/dbraw/zinc/67/27/89/1132672789.db2.gz LTNZAFYXFNWIQN-PXNSSMCTSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444648 1132672792 /nfs/dbraw/zinc/67/27/92/1132672792.db2.gz LTNZAFYXFNWIQN-PXNSSMCTSA-N 2 1 330.516 3.779 20 0 EHADMP CC1(C)C[C@H](Nc2cc(N)cc(C(F)(F)F)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169143757 1132675448 /nfs/dbraw/zinc/67/54/48/1132675448.db2.gz QOEGZQSUHQEDCB-XHDPSFHLSA-N 2 1 330.398 3.638 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206003139 1132681471 /nfs/dbraw/zinc/68/14/71/1132681471.db2.gz FIXKBGLTTNHPPI-UKRRQHHQSA-N 2 1 325.294 3.564 20 0 EHADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1C(F)(F)F ZINC001169241470 1132707941 /nfs/dbraw/zinc/70/79/41/1132707941.db2.gz KXOIJOAYDUNQHS-UHFFFAOYSA-N 2 1 330.394 3.678 20 0 EHADMP CC(C)[NH+](CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1)C(C)C ZINC001169274330 1132712770 /nfs/dbraw/zinc/71/27/70/1132712770.db2.gz FFTWKOHPJMQJCW-UHFFFAOYSA-N 2 1 346.515 3.863 20 0 EHADMP CCc1sc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206012363 1132774675 /nfs/dbraw/zinc/77/46/75/1132774675.db2.gz KWWIVCVAYDSMAB-RYUDHWBXSA-N 2 1 345.350 3.880 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206025692 1132905084 /nfs/dbraw/zinc/90/50/84/1132905084.db2.gz PBLJLVYUONUWQA-TZMCWYRMSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC001177289303 1133047762 /nfs/dbraw/zinc/04/77/62/1133047762.db2.gz CWFOODPVEAJCKH-HDICACEKSA-N 2 1 332.536 3.531 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2)CC1 ZINC001177295199 1133048238 /nfs/dbraw/zinc/04/82/38/1133048238.db2.gz ZEZFXHPTDCCVCB-UHFFFAOYSA-N 2 1 343.559 3.883 20 0 EHADMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1F ZINC001177669155 1133090742 /nfs/dbraw/zinc/09/07/42/1133090742.db2.gz RVGSYRRBVFXBLV-IBGZPJMESA-N 2 1 326.459 3.788 20 0 EHADMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1F ZINC001177669155 1133090746 /nfs/dbraw/zinc/09/07/46/1133090746.db2.gz RVGSYRRBVFXBLV-IBGZPJMESA-N 2 1 326.459 3.788 20 0 EHADMP Cc1ccc2ncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc3ccccc3)n2c1 ZINC001177961289 1133122213 /nfs/dbraw/zinc/12/22/13/1133122213.db2.gz JDQUVMPYNAZRIJ-GOSISDBHSA-N 2 1 336.483 3.643 20 0 EHADMP Cc1ccc2ncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc3ccccc3)n2c1 ZINC001177961289 1133122215 /nfs/dbraw/zinc/12/22/15/1133122215.db2.gz JDQUVMPYNAZRIJ-GOSISDBHSA-N 2 1 336.483 3.643 20 0 EHADMP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001206335206 1133181406 /nfs/dbraw/zinc/18/14/06/1133181406.db2.gz CGSGXHDOCJZWTB-MRXNPFEDSA-N 2 1 332.822 3.578 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001206335206 1133181408 /nfs/dbraw/zinc/18/14/08/1133181408.db2.gz CGSGXHDOCJZWTB-MRXNPFEDSA-N 2 1 332.822 3.578 20 0 EHADMP CCC(CC)(CC)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001180310451 1133355380 /nfs/dbraw/zinc/35/53/80/1133355380.db2.gz HTDFUMUWKQJEFN-HXUWFJFHSA-N 2 1 332.532 3.949 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC001180809102 1133418732 /nfs/dbraw/zinc/41/87/32/1133418732.db2.gz AEOBBWOWOFLRGW-RTWAWAEBSA-N 2 1 342.527 3.846 20 0 EHADMP Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC001181296908 1133475834 /nfs/dbraw/zinc/47/58/34/1133475834.db2.gz GJYSYGUIMWZEJX-MJGOQNOKSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296908 1133475836 /nfs/dbraw/zinc/47/58/36/1133475836.db2.gz GJYSYGUIMWZEJX-MJGOQNOKSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296908 1133475838 /nfs/dbraw/zinc/47/58/38/1133475838.db2.gz GJYSYGUIMWZEJX-MJGOQNOKSA-N 2 1 332.451 3.954 20 0 EHADMP C[C@@]1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697163 1133518402 /nfs/dbraw/zinc/51/84/02/1133518402.db2.gz GLWDHDKERKIBHB-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@@]1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697163 1133518405 /nfs/dbraw/zinc/51/84/05/1133518405.db2.gz GLWDHDKERKIBHB-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@@]1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697163 1133518410 /nfs/dbraw/zinc/51/84/10/1133518410.db2.gz GLWDHDKERKIBHB-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc2c(c1)COC(C)(C)O2 ZINC001181932900 1133553285 /nfs/dbraw/zinc/55/32/85/1133553285.db2.gz JZHDSVQQZKVMGA-IBGZPJMESA-N 2 1 346.515 3.932 20 0 EHADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnc1N1CCCC[C@H]1C ZINC000774354061 1133668498 /nfs/dbraw/zinc/66/84/98/1133668498.db2.gz KTJZWXDFNLWWSO-VBZNHOPUSA-N 2 1 328.504 3.806 20 0 EHADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c[nH+]c1N1CCCC[C@H]1C ZINC000774354061 1133668500 /nfs/dbraw/zinc/66/85/00/1133668500.db2.gz KTJZWXDFNLWWSO-VBZNHOPUSA-N 2 1 328.504 3.806 20 0 EHADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c[nH+]c1N1CCCC[C@H]1C ZINC000774354061 1133668501 /nfs/dbraw/zinc/66/85/01/1133668501.db2.gz KTJZWXDFNLWWSO-VBZNHOPUSA-N 2 1 328.504 3.806 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C(C)(C)C1CCOCC1 ZINC000785603612 1133725446 /nfs/dbraw/zinc/72/54/46/1133725446.db2.gz WCLKFEMMBKFRCQ-UHFFFAOYSA-N 2 1 332.532 3.939 20 0 EHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001182826563 1133737194 /nfs/dbraw/zinc/73/71/94/1133737194.db2.gz SRUUVWUMQLUUDV-UXPWSPDFSA-N 2 1 330.516 3.558 20 0 EHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001182826560 1133737436 /nfs/dbraw/zinc/73/74/36/1133737436.db2.gz SRUUVWUMQLUUDV-LSTHTHJFSA-N 2 1 330.516 3.558 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206553989 1133761013 /nfs/dbraw/zinc/76/10/13/1133761013.db2.gz AASQJZDTMIEXBY-INIZCTEOSA-N 2 1 325.294 3.708 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206553989 1133761018 /nfs/dbraw/zinc/76/10/18/1133761018.db2.gz AASQJZDTMIEXBY-INIZCTEOSA-N 2 1 325.294 3.708 20 0 EHADMP COCC[N@@H+](C/C=C/c1cc(C)c(C)cc1C)CC1CC[NH+](C)CC1 ZINC001183256365 1133786531 /nfs/dbraw/zinc/78/65/31/1133786531.db2.gz LGCBPRIODJGWOY-VOTSOKGWSA-N 2 1 344.543 3.915 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288333 1133887970 /nfs/dbraw/zinc/88/79/70/1133887970.db2.gz IVGYNKJTONSOJO-MRXNPFEDSA-N 2 1 325.294 3.769 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288333 1133887976 /nfs/dbraw/zinc/88/79/76/1133887976.db2.gz IVGYNKJTONSOJO-MRXNPFEDSA-N 2 1 325.294 3.769 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000746672092 1133991170 /nfs/dbraw/zinc/99/11/70/1133991170.db2.gz LUFCZMFQTRKTJS-WIYYLYMNSA-N 2 1 348.506 3.756 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000746672092 1133991177 /nfs/dbraw/zinc/99/11/77/1133991177.db2.gz LUFCZMFQTRKTJS-WIYYLYMNSA-N 2 1 348.506 3.756 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000788477718 1134129311 /nfs/dbraw/zinc/12/93/11/1134129311.db2.gz FFFWOSSDQCTXBB-KRWDZBQOSA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000788494929 1134131911 /nfs/dbraw/zinc/13/19/11/1134131911.db2.gz VWSOTUZKQZLVKF-UHFFFAOYSA-N 2 1 341.474 3.607 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000788483835 1134137826 /nfs/dbraw/zinc/13/78/26/1134137826.db2.gz XEKZLLRICVOOPY-ZWKOTPCHSA-N 2 1 336.545 3.758 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000774966738 1134158357 /nfs/dbraw/zinc/15/83/57/1134158357.db2.gz ZQSAMOJUWSPSPU-UHFFFAOYSA-N 2 1 339.321 3.968 20 0 EHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H]1CC[C@H](C)C1)CC2 ZINC001170135234 1134415391 /nfs/dbraw/zinc/41/53/91/1134415391.db2.gz GGZINCYIOGPXRT-YJBOKZPZSA-N 2 1 331.504 3.910 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001170165891 1134684949 /nfs/dbraw/zinc/68/49/49/1134684949.db2.gz WKLMSEDJYMLSNM-WHZJULEDSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)cn1 ZINC000775377271 1134691422 /nfs/dbraw/zinc/69/14/22/1134691422.db2.gz WNURMVDBVHNCFZ-YCRPNKLZSA-N 2 1 332.451 3.989 20 0 EHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190036 1134702808 /nfs/dbraw/zinc/70/28/08/1134702808.db2.gz DNPNSRXGDTZNED-UAFMIMERSA-N 2 1 346.515 3.725 20 0 EHADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190891 1134702864 /nfs/dbraw/zinc/70/28/64/1134702864.db2.gz GIFDGMPGNKIPNK-MUGJNUQGSA-N 2 1 334.479 3.855 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241402 1134719756 /nfs/dbraw/zinc/71/97/56/1134719756.db2.gz WHXIKROKTUULSK-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241402 1134719761 /nfs/dbraw/zinc/71/97/61/1134719761.db2.gz WHXIKROKTUULSK-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP c1cn2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2[nH+]1 ZINC001170331079 1134750491 /nfs/dbraw/zinc/75/04/91/1134750491.db2.gz KQXVOAAWDYFVBC-LDLYASANSA-N 2 1 332.451 3.942 20 0 EHADMP c1cn2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2[nH+]1 ZINC001170331079 1134750495 /nfs/dbraw/zinc/75/04/95/1134750495.db2.gz KQXVOAAWDYFVBC-LDLYASANSA-N 2 1 332.451 3.942 20 0 EHADMP Cc1cc(C)c(CN2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001203745635 1134934400 /nfs/dbraw/zinc/93/44/00/1134934400.db2.gz CNRDGWRVQLGQHH-UHFFFAOYSA-N 2 1 330.516 3.687 20 0 EHADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001203745635 1134934408 /nfs/dbraw/zinc/93/44/08/1134934408.db2.gz CNRDGWRVQLGQHH-UHFFFAOYSA-N 2 1 330.516 3.687 20 0 EHADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001203745635 1134934415 /nfs/dbraw/zinc/93/44/15/1134934415.db2.gz CNRDGWRVQLGQHH-UHFFFAOYSA-N 2 1 330.516 3.687 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n(C)n1 ZINC000793522909 1134945976 /nfs/dbraw/zinc/94/59/76/1134945976.db2.gz GSVCBTNMGLPLST-WMZOPIPTSA-N 2 1 340.515 3.811 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000806159092 1135404402 /nfs/dbraw/zinc/40/44/02/1135404402.db2.gz XOPQVKDIZNLAQM-GRDNDAEWSA-N 2 1 333.907 3.965 20 0 EHADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC001196040627 1135511674 /nfs/dbraw/zinc/51/16/74/1135511674.db2.gz YXUXSVLKGKODMH-UHFFFAOYSA-N 2 1 339.483 3.708 20 0 EHADMP CC[N@@H+](Cc1cc(C(=O)OC)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC001196624412 1135590257 /nfs/dbraw/zinc/59/02/57/1135590257.db2.gz ZQJCUNAIYAKYLZ-UHFFFAOYSA-N 2 1 346.496 3.618 20 0 EHADMP COc1ccc(COCC[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC001197193804 1135657897 /nfs/dbraw/zinc/65/78/97/1135657897.db2.gz FRRQQKUOLREONJ-UHFFFAOYSA-N 2 1 348.531 3.512 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)cc1 ZINC000809738853 1135883415 /nfs/dbraw/zinc/88/34/15/1135883415.db2.gz MUUBMQMADHOFDG-UHFFFAOYSA-N 2 1 340.496 3.627 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001199344117 1135896220 /nfs/dbraw/zinc/89/62/20/1135896220.db2.gz FJAYCIORVKBNNO-RZUBCFFCSA-N 2 1 343.559 3.609 20 0 EHADMP O[C@@H](C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)c1ccco1 ZINC000776100777 1135956118 /nfs/dbraw/zinc/95/61/18/1135956118.db2.gz AIZIVFOKZQSUEF-FQEVSTJZSA-N 2 1 342.483 3.691 20 0 EHADMP O[C@@H](C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)c1ccco1 ZINC000776100777 1135956121 /nfs/dbraw/zinc/95/61/21/1135956121.db2.gz AIZIVFOKZQSUEF-FQEVSTJZSA-N 2 1 342.483 3.691 20 0 EHADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201488180 1136027097 /nfs/dbraw/zinc/02/70/97/1136027097.db2.gz WVGAOVCDHIKEFX-GOSISDBHSA-N 2 1 332.536 3.921 20 0 EHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201488180 1136027102 /nfs/dbraw/zinc/02/71/02/1136027102.db2.gz WVGAOVCDHIKEFX-GOSISDBHSA-N 2 1 332.536 3.921 20 0 EHADMP CC(C)=CCC[C@@H](C)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201488180 1136027107 /nfs/dbraw/zinc/02/71/07/1136027107.db2.gz WVGAOVCDHIKEFX-GOSISDBHSA-N 2 1 332.536 3.921 20 0 EHADMP CC(C)=CCC[C@@H](C)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201488180 1136027110 /nfs/dbraw/zinc/02/71/10/1136027110.db2.gz WVGAOVCDHIKEFX-GOSISDBHSA-N 2 1 332.536 3.921 20 0 EHADMP CC[C@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201503353 1136029593 /nfs/dbraw/zinc/02/95/93/1136029593.db2.gz OOLWENQNQWTZCH-ICSRJNTNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC001201963829 1136079339 /nfs/dbraw/zinc/07/93/39/1136079339.db2.gz XLXCCPOZGKJJMC-GFCCVEGCSA-N 2 1 331.323 3.865 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC001202348420 1136127465 /nfs/dbraw/zinc/12/74/65/1136127465.db2.gz NSRLWCNTMOTXLQ-USXIJHARSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC(F)(F)F)C[C@H]21 ZINC001202348420 1136127466 /nfs/dbraw/zinc/12/74/66/1136127466.db2.gz NSRLWCNTMOTXLQ-USXIJHARSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC(F)(F)F)C[C@H]21 ZINC001202348420 1136127467 /nfs/dbraw/zinc/12/74/67/1136127467.db2.gz NSRLWCNTMOTXLQ-USXIJHARSA-N 2 1 341.421 3.566 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850529933 1136279233 /nfs/dbraw/zinc/27/92/33/1136279233.db2.gz UPGGNFXQGVNHME-DVMWJLJYSA-N 2 1 328.500 3.798 20 0 EHADMP CC[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000813880220 1136372224 /nfs/dbraw/zinc/37/22/24/1136372224.db2.gz CXGZIZVOEPEDMP-FRIKZZABSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000813880959 1136372735 /nfs/dbraw/zinc/37/27/35/1136372735.db2.gz JYPPGLHRNJWRNB-HHXCZETCSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000852586645 1136468388 /nfs/dbraw/zinc/46/83/88/1136468388.db2.gz KMUVQVXYYMAUFB-ZRNYENFQSA-N 2 1 340.552 3.545 20 0 EHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+]([C@@H]2CCCOCC2)C3)cc1 ZINC001170835300 1136740808 /nfs/dbraw/zinc/74/08/08/1136740808.db2.gz QXFPRBDMHCQAHF-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+]([C@@H]2CCCOCC2)C3)cc1 ZINC001170835300 1136740809 /nfs/dbraw/zinc/74/08/09/1136740809.db2.gz QXFPRBDMHCQAHF-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+]([C@@H]2CCCOCC2)C3)cc1 ZINC001170835300 1136740811 /nfs/dbraw/zinc/74/08/11/1136740811.db2.gz QXFPRBDMHCQAHF-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(C(C)C)C(C)C)C2)ccn1 ZINC000856551788 1136794111 /nfs/dbraw/zinc/79/41/11/1136794111.db2.gz ZRPREQRSWUPDHY-FQEVSTJZSA-N 2 1 347.547 3.915 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(C(C)C)C(C)C)C2)ccn1 ZINC000856551788 1136794112 /nfs/dbraw/zinc/79/41/12/1136794112.db2.gz ZRPREQRSWUPDHY-FQEVSTJZSA-N 2 1 347.547 3.915 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(C(C)C)C(C)C)C2)ccn1 ZINC000856551788 1136794115 /nfs/dbraw/zinc/79/41/15/1136794115.db2.gz ZRPREQRSWUPDHY-FQEVSTJZSA-N 2 1 347.547 3.915 20 0 EHADMP CCC[C@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559519 1136794932 /nfs/dbraw/zinc/79/49/32/1136794932.db2.gz PLRCESRQHNXABE-PXNSSMCTSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559519 1136794934 /nfs/dbraw/zinc/79/49/34/1136794934.db2.gz PLRCESRQHNXABE-PXNSSMCTSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559519 1136794937 /nfs/dbraw/zinc/79/49/37/1136794937.db2.gz PLRCESRQHNXABE-PXNSSMCTSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)C[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604542 1136797999 /nfs/dbraw/zinc/79/79/99/1136797999.db2.gz OWNCTVCXUYEDCL-YLJYHZDGSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604542 1136798002 /nfs/dbraw/zinc/79/80/02/1136798002.db2.gz OWNCTVCXUYEDCL-YLJYHZDGSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604542 1136798005 /nfs/dbraw/zinc/79/80/05/1136798005.db2.gz OWNCTVCXUYEDCL-YLJYHZDGSA-N 2 1 333.520 3.810 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000817584263 1136824926 /nfs/dbraw/zinc/82/49/26/1136824926.db2.gz VYXXQZMOKYAHSC-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926303 1136846805 /nfs/dbraw/zinc/84/68/05/1136846805.db2.gz FEAGNYOIDFTPNA-LERXQTSPSA-N 2 1 329.271 3.795 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926301 1136846897 /nfs/dbraw/zinc/84/68/97/1136846897.db2.gz FEAGNYOIDFTPNA-DDTOSNHZSA-N 2 1 329.271 3.795 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000818959419 1136895582 /nfs/dbraw/zinc/89/55/82/1136895582.db2.gz JQNZAIUTPOPRCV-KSSFIOAISA-N 2 1 342.886 3.757 20 0 EHADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000819133616 1136911753 /nfs/dbraw/zinc/91/17/53/1136911753.db2.gz AHFFQWIJJSFYGZ-SFHVURJKSA-N 2 1 340.870 3.509 20 0 EHADMP c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000857854381 1136913511 /nfs/dbraw/zinc/91/35/11/1136913511.db2.gz LWPDHCZJYCHYMT-HXUWFJFHSA-N 2 1 338.499 3.953 20 0 EHADMP c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000857854381 1136913513 /nfs/dbraw/zinc/91/35/13/1136913513.db2.gz LWPDHCZJYCHYMT-HXUWFJFHSA-N 2 1 338.499 3.953 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCc3cn[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000857858497 1136914328 /nfs/dbraw/zinc/91/43/28/1136914328.db2.gz NRONLRXBEVRMPT-IMFGXOCKSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858497 1136914330 /nfs/dbraw/zinc/91/43/30/1136914330.db2.gz NRONLRXBEVRMPT-IMFGXOCKSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858497 1136914333 /nfs/dbraw/zinc/91/43/33/1136914333.db2.gz NRONLRXBEVRMPT-IMFGXOCKSA-N 2 1 338.499 3.677 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283029 1136931368 /nfs/dbraw/zinc/93/13/68/1136931368.db2.gz FRDWUOXPCSBILS-FGZHOGPDSA-N 2 1 338.495 3.530 20 0 EHADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1Cl ZINC000819355748 1136933880 /nfs/dbraw/zinc/93/38/80/1136933880.db2.gz UKGJLOMXOGTZME-KRWDZBQOSA-N 2 1 343.298 3.633 20 0 EHADMP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858394696 1136964309 /nfs/dbraw/zinc/96/43/09/1136964309.db2.gz XIHKVEXVBJBGSV-GOSISDBHSA-N 2 1 333.520 3.692 20 0 EHADMP COC1(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000339012494 1136984013 /nfs/dbraw/zinc/98/40/13/1136984013.db2.gz WLDGXDLAEVLXFU-NRFANRHFSA-N 2 1 342.527 3.934 20 0 EHADMP COC1(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000339012494 1136984014 /nfs/dbraw/zinc/98/40/14/1136984014.db2.gz WLDGXDLAEVLXFU-NRFANRHFSA-N 2 1 342.527 3.934 20 0 EHADMP COC1(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000339012494 1136984016 /nfs/dbraw/zinc/98/40/16/1136984016.db2.gz WLDGXDLAEVLXFU-NRFANRHFSA-N 2 1 342.527 3.934 20 0 EHADMP COC1(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012910 1136986920 /nfs/dbraw/zinc/98/69/20/1136986920.db2.gz JSVJINKIVHKFRO-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012910 1136986923 /nfs/dbraw/zinc/98/69/23/1136986923.db2.gz JSVJINKIVHKFRO-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012910 1136986926 /nfs/dbraw/zinc/98/69/26/1136986926.db2.gz JSVJINKIVHKFRO-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012910 1136986929 /nfs/dbraw/zinc/98/69/29/1136986929.db2.gz JSVJINKIVHKFRO-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214570 1137008295 /nfs/dbraw/zinc/00/82/95/1137008295.db2.gz PKMGHWDKXPZODV-KRWDZBQOSA-N 2 1 339.483 3.516 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214570 1137008297 /nfs/dbraw/zinc/00/82/97/1137008297.db2.gz PKMGHWDKXPZODV-KRWDZBQOSA-N 2 1 339.483 3.516 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3coc(-c4ccccc4F)n3)C2)CC1 ZINC000859291938 1137010817 /nfs/dbraw/zinc/01/08/17/1137010817.db2.gz OUWMTZHZLPYWKX-UHFFFAOYSA-N 2 1 343.446 3.789 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170968554 1137031823 /nfs/dbraw/zinc/03/18/23/1137031823.db2.gz FFAXOWWLIHTZDL-GOSISDBHSA-N 2 1 342.433 3.772 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750384 1137072752 /nfs/dbraw/zinc/07/27/52/1137072752.db2.gz LDOFPRMQTMOXRW-CSMYWGQOSA-N 2 1 345.314 3.689 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750384 1137072753 /nfs/dbraw/zinc/07/27/53/1137072753.db2.gz LDOFPRMQTMOXRW-CSMYWGQOSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750384 1137072754 /nfs/dbraw/zinc/07/27/54/1137072754.db2.gz LDOFPRMQTMOXRW-CSMYWGQOSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750384 1137072756 /nfs/dbraw/zinc/07/27/56/1137072756.db2.gz LDOFPRMQTMOXRW-CSMYWGQOSA-N 2 1 345.314 3.689 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823659703 1137108769 /nfs/dbraw/zinc/10/87/69/1137108769.db2.gz NYHPOJSVFFVPCF-OKILXGFUSA-N 2 1 327.875 3.722 20 0 EHADMP CSCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000823677346 1137110653 /nfs/dbraw/zinc/11/06/53/1137110653.db2.gz UAUFTGROSXTODL-UHFFFAOYSA-N 2 1 330.501 3.587 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367769 1137140608 /nfs/dbraw/zinc/14/06/08/1137140608.db2.gz UXAGAZNDUUNOOG-XJKSGUPXSA-N 2 1 345.314 3.879 20 0 EHADMP COc1cc(Cl)cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001144484118 1137298655 /nfs/dbraw/zinc/29/86/55/1137298655.db2.gz HEAJJZQZTOBPKL-UHFFFAOYSA-N 2 1 345.874 3.791 20 0 EHADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000865717468 1137306462 /nfs/dbraw/zinc/30/64/62/1137306462.db2.gz YWOXAJCPNJBTCO-UHFFFAOYSA-N 2 1 326.488 3.677 20 0 EHADMP CC[N@H+](Cc1ccccc1)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144623204 1137319342 /nfs/dbraw/zinc/31/93/42/1137319342.db2.gz SPTDTUWICFGHBK-UHFFFAOYSA-N 2 1 348.494 3.821 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144623204 1137319344 /nfs/dbraw/zinc/31/93/44/1137319344.db2.gz SPTDTUWICFGHBK-UHFFFAOYSA-N 2 1 348.494 3.821 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCc2cccnc2)cc1F ZINC000866243385 1137338798 /nfs/dbraw/zinc/33/87/98/1137338798.db2.gz UPNWEMYLPUXARW-HNNXBMFYSA-N 2 1 338.430 3.826 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000866251678 1137339560 /nfs/dbraw/zinc/33/95/60/1137339560.db2.gz YWQORAFROBXKCG-MJGOQNOKSA-N 2 1 343.540 3.966 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000866251678 1137339562 /nfs/dbraw/zinc/33/95/62/1137339562.db2.gz YWQORAFROBXKCG-MJGOQNOKSA-N 2 1 343.540 3.966 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCSC2)C3)cc1 ZINC000866403395 1137352223 /nfs/dbraw/zinc/35/22/23/1137352223.db2.gz SQEQUDXQIDVXBR-LWYYNNOASA-N 2 1 330.541 3.915 20 0 EHADMP c1n[nH]c2c1[C@@H]([NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000866469077 1137357231 /nfs/dbraw/zinc/35/72/31/1137357231.db2.gz FNPZLANFFZBLDX-FQEVSTJZSA-N 2 1 338.499 3.679 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000866506235 1137359560 /nfs/dbraw/zinc/35/95/60/1137359560.db2.gz GHJLAJAKTZXWJL-HNNXBMFYSA-N 2 1 336.442 3.588 20 0 EHADMP C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866513037 1137360372 /nfs/dbraw/zinc/36/03/72/1137360372.db2.gz RKMSYFPDPGFVIU-KVJIRVJXSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846847298 1137371623 /nfs/dbraw/zinc/37/16/23/1137371623.db2.gz HEWAHRVIPZVQBL-RHSMWYFYSA-N 2 1 347.865 3.874 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846847298 1137371625 /nfs/dbraw/zinc/37/16/25/1137371625.db2.gz HEWAHRVIPZVQBL-RHSMWYFYSA-N 2 1 347.865 3.874 20 0 EHADMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246839904 1137389336 /nfs/dbraw/zinc/38/93/36/1137389336.db2.gz KTILCLMUYJMDRA-HZPDHXFCSA-N 2 1 325.294 3.802 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716629463 1137487909 /nfs/dbraw/zinc/48/79/09/1137487909.db2.gz YZLPSCPACALVTR-HQMSXXKGSA-N 2 1 335.495 3.655 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171565873 1137498446 /nfs/dbraw/zinc/49/84/46/1137498446.db2.gz DDNHMSHNCPLQND-IBGZPJMESA-N 2 1 335.495 3.795 20 0 EHADMP COc1cc2c(cc1OC)C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171638509 1137504507 /nfs/dbraw/zinc/50/45/07/1137504507.db2.gz ZXMVTAILZGXXEC-UHFFFAOYSA-N 2 1 346.515 3.713 20 0 EHADMP COc1cc2c(cc1OC)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171638509 1137504508 /nfs/dbraw/zinc/50/45/08/1137504508.db2.gz ZXMVTAILZGXXEC-UHFFFAOYSA-N 2 1 346.515 3.713 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642713 1137505116 /nfs/dbraw/zinc/50/51/16/1137505116.db2.gz LWOPWAPMGMNZHM-ROUUACIJSA-N 3 1 335.580 3.977 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642713 1137505117 /nfs/dbraw/zinc/50/51/17/1137505117.db2.gz LWOPWAPMGMNZHM-ROUUACIJSA-N 3 1 335.580 3.977 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642713 1137505118 /nfs/dbraw/zinc/50/51/18/1137505118.db2.gz LWOPWAPMGMNZHM-ROUUACIJSA-N 3 1 335.580 3.977 20 0 EHADMP CCC[NH+](CCC)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171909416 1137517741 /nfs/dbraw/zinc/51/77/41/1137517741.db2.gz MRYBTOMAFOYEJH-UHFFFAOYSA-N 2 1 326.525 3.599 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171971856 1137523789 /nfs/dbraw/zinc/52/37/89/1137523789.db2.gz KSRDIHJXYIWJOB-OALUTQOASA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC001171972008 1137524027 /nfs/dbraw/zinc/52/40/27/1137524027.db2.gz LLWFEJVXRBEAOO-NRFANRHFSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@](O)(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977358 1137526184 /nfs/dbraw/zinc/52/61/84/1137526184.db2.gz QOKGOBMVOZHNBR-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977358 1137526186 /nfs/dbraw/zinc/52/61/86/1137526186.db2.gz QOKGOBMVOZHNBR-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977358 1137526188 /nfs/dbraw/zinc/52/61/88/1137526188.db2.gz QOKGOBMVOZHNBR-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979965 1137526557 /nfs/dbraw/zinc/52/65/57/1137526557.db2.gz HCIFDEGJGKYRJE-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979965 1137526558 /nfs/dbraw/zinc/52/65/58/1137526558.db2.gz HCIFDEGJGKYRJE-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979965 1137526560 /nfs/dbraw/zinc/52/65/60/1137526560.db2.gz HCIFDEGJGKYRJE-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074012 1137530179 /nfs/dbraw/zinc/53/01/79/1137530179.db2.gz SOYSMPKYDYQYFR-UMOULQGESA-N 2 1 341.543 3.774 20 0 EHADMP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074012 1137530181 /nfs/dbraw/zinc/53/01/81/1137530181.db2.gz SOYSMPKYDYQYFR-UMOULQGESA-N 3 1 341.543 3.774 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074012 1137530183 /nfs/dbraw/zinc/53/01/83/1137530183.db2.gz SOYSMPKYDYQYFR-UMOULQGESA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074012 1137530185 /nfs/dbraw/zinc/53/01/85/1137530185.db2.gz SOYSMPKYDYQYFR-UMOULQGESA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074012 1137530186 /nfs/dbraw/zinc/53/01/86/1137530186.db2.gz SOYSMPKYDYQYFR-UMOULQGESA-N 3 1 341.543 3.774 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC001172077648 1137531043 /nfs/dbraw/zinc/53/10/43/1137531043.db2.gz UVNDHVLGFPLTOJ-OWZKRDHZSA-N 2 1 339.458 3.896 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC001172077648 1137531045 /nfs/dbraw/zinc/53/10/45/1137531045.db2.gz UVNDHVLGFPLTOJ-OWZKRDHZSA-N 2 1 339.458 3.896 20 0 EHADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061730 1137532965 /nfs/dbraw/zinc/53/29/65/1137532965.db2.gz JIEBBAPZWAKTJW-OFOKGCAXSA-N 2 1 330.516 3.569 20 0 EHADMP OCCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062567 1137533061 /nfs/dbraw/zinc/53/30/61/1137533061.db2.gz PORXZZRQDXDOHL-WKCHPHFGSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@]1(O)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069563 1137534490 /nfs/dbraw/zinc/53/44/90/1137534490.db2.gz RBRRCVOJHNBYLB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069563 1137534492 /nfs/dbraw/zinc/53/44/92/1137534492.db2.gz RBRRCVOJHNBYLB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069563 1137534494 /nfs/dbraw/zinc/53/44/94/1137534494.db2.gz RBRRCVOJHNBYLB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069563 1137534496 /nfs/dbraw/zinc/53/44/96/1137534496.db2.gz RBRRCVOJHNBYLB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106497 1137536782 /nfs/dbraw/zinc/53/67/82/1137536782.db2.gz POKOHPIJGZBVLL-WEMPKCCASA-N 2 1 338.495 3.868 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106497 1137536784 /nfs/dbraw/zinc/53/67/84/1137536784.db2.gz POKOHPIJGZBVLL-WEMPKCCASA-N 2 1 338.495 3.868 20 0 EHADMP COc1cccc(CC(C)(C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108935 1137536865 /nfs/dbraw/zinc/53/68/65/1137536865.db2.gz AKAQTNDAUKIOHN-LDLYASANSA-N 2 1 330.516 3.869 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112467 1137537417 /nfs/dbraw/zinc/53/74/17/1137537417.db2.gz XFHDFKZQBWRBTO-WOZUAGRISA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112467 1137537419 /nfs/dbraw/zinc/53/74/19/1137537419.db2.gz XFHDFKZQBWRBTO-WOZUAGRISA-N 2 1 346.490 3.898 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112968 1137537438 /nfs/dbraw/zinc/53/74/38/1137537438.db2.gz HEHLHXKRDUXSJP-XAPVIXHLSA-N 2 1 335.495 3.908 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112968 1137537440 /nfs/dbraw/zinc/53/74/40/1137537440.db2.gz HEHLHXKRDUXSJP-XAPVIXHLSA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112968 1137537441 /nfs/dbraw/zinc/53/74/41/1137537441.db2.gz HEHLHXKRDUXSJP-XAPVIXHLSA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112968 1137537443 /nfs/dbraw/zinc/53/74/43/1137537443.db2.gz HEHLHXKRDUXSJP-XAPVIXHLSA-N 2 1 335.495 3.908 20 0 EHADMP COc1ccccc1CC(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112186 1137537734 /nfs/dbraw/zinc/53/77/34/1137537734.db2.gz TYVAUTDEQHLFIP-LDLYASANSA-N 2 1 330.516 3.869 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](Nc1ccc(C[NH3+])c(C(F)(F)F)c1)C2 ZINC001172113554 1137537748 /nfs/dbraw/zinc/53/77/48/1137537748.db2.gz DIPNBSQKGBKSSE-QDMKHBRRSA-N 2 1 327.394 3.591 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172226698 1137542088 /nfs/dbraw/zinc/54/20/88/1137542088.db2.gz GVFVKBKSPKVECR-LQCXBHPOSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172226698 1137542090 /nfs/dbraw/zinc/54/20/90/1137542090.db2.gz GVFVKBKSPKVECR-LQCXBHPOSA-N 2 1 340.511 3.685 20 0 EHADMP CC1(C)C[C@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CO1 ZINC001172277395 1137543775 /nfs/dbraw/zinc/54/37/75/1137543775.db2.gz ICGMWKSDOLRDKO-RNUBBMKBSA-N 2 1 328.500 3.682 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC001172255550 1137544680 /nfs/dbraw/zinc/54/46/80/1137544680.db2.gz VRRIWMHIOKDDPZ-IBGZPJMESA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC001172255550 1137544681 /nfs/dbraw/zinc/54/46/81/1137544681.db2.gz VRRIWMHIOKDDPZ-IBGZPJMESA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001172255333 1137544972 /nfs/dbraw/zinc/54/49/72/1137544972.db2.gz OKLYVSRNFAHAQO-UHFFFAOYSA-N 2 1 334.479 3.506 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172283757 1137547879 /nfs/dbraw/zinc/54/78/79/1137547879.db2.gz LDNJXFWTTGZDEF-FUHWJXTLSA-N 2 1 332.488 3.524 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000872040945 1137567105 /nfs/dbraw/zinc/56/71/05/1137567105.db2.gz DHQZDUMEVWQLBZ-KCLUMXDGSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000872040945 1137567106 /nfs/dbraw/zinc/56/71/06/1137567106.db2.gz DHQZDUMEVWQLBZ-KCLUMXDGSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000872069106 1137569415 /nfs/dbraw/zinc/56/94/15/1137569415.db2.gz MRGJTBKQQQUDEQ-NYLDSWQDSA-N 2 1 348.506 3.768 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872122383 1137572755 /nfs/dbraw/zinc/57/27/55/1137572755.db2.gz FEMCVACXMMPIOY-RDTXWAMCSA-N 2 1 343.471 3.666 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c(Cl)c1 ZINC000872155427 1137574092 /nfs/dbraw/zinc/57/40/92/1137574092.db2.gz RKILHCREZOSIDK-HNNXBMFYSA-N 2 1 339.911 3.735 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)[nH]n1 ZINC000872146296 1137574098 /nfs/dbraw/zinc/57/40/98/1137574098.db2.gz KEMYVKQNSIRWTL-SFHVURJKSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n[nH]1 ZINC000872146296 1137574099 /nfs/dbraw/zinc/57/40/99/1137574099.db2.gz KEMYVKQNSIRWTL-SFHVURJKSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n[nH]1 ZINC000872146296 1137574100 /nfs/dbraw/zinc/57/41/00/1137574100.db2.gz KEMYVKQNSIRWTL-SFHVURJKSA-N 2 1 338.499 3.558 20 0 EHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1)C1CCCC1 ZINC000872156722 1137574286 /nfs/dbraw/zinc/57/42/86/1137574286.db2.gz LMAXHVMKRMETLX-SWLSCSKDSA-N 2 1 327.925 3.916 20 0 EHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1)C1CCCC1 ZINC000872156720 1137574316 /nfs/dbraw/zinc/57/43/16/1137574316.db2.gz LMAXHVMKRMETLX-DOMZBBRYSA-N 2 1 327.925 3.916 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157726 1137574372 /nfs/dbraw/zinc/57/43/72/1137574372.db2.gz QFBSXZAMIGZIAD-JKIFEVAISA-N 2 1 332.492 3.628 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157726 1137574373 /nfs/dbraw/zinc/57/43/73/1137574373.db2.gz QFBSXZAMIGZIAD-JKIFEVAISA-N 2 1 332.492 3.628 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000124393257 1137589977 /nfs/dbraw/zinc/58/99/77/1137589977.db2.gz WRTKLCIISPOXQD-HXUWFJFHSA-N 2 1 347.478 3.802 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000124393257 1137589978 /nfs/dbraw/zinc/58/99/78/1137589978.db2.gz WRTKLCIISPOXQD-HXUWFJFHSA-N 2 1 347.478 3.802 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873231316 1137594599 /nfs/dbraw/zinc/59/45/99/1137594599.db2.gz FMNUNDMNAILMOJ-RXVVDRJESA-N 2 1 343.515 3.765 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876893329 1137664685 /nfs/dbraw/zinc/66/46/85/1137664685.db2.gz GIMIDXFEPNZYKW-QUCCMNQESA-N 2 1 329.532 3.532 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(Cl)nn3)c2)CC1 ZINC000877020870 1137667865 /nfs/dbraw/zinc/66/78/65/1137667865.db2.gz GTBSWSJNJHBRMQ-UHFFFAOYSA-N 2 1 344.890 3.652 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000877049105 1137668661 /nfs/dbraw/zinc/66/86/61/1137668661.db2.gz QLGIEGRQVQVYMX-DFQSSKMNSA-N 2 1 342.508 3.739 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000877049105 1137668662 /nfs/dbraw/zinc/66/86/62/1137668662.db2.gz QLGIEGRQVQVYMX-DFQSSKMNSA-N 2 1 342.508 3.739 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000877477267 1137677525 /nfs/dbraw/zinc/67/75/25/1137677525.db2.gz BSQIMMQKAYDCLZ-GOSISDBHSA-N 2 1 347.503 3.950 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000877477267 1137677526 /nfs/dbraw/zinc/67/75/26/1137677526.db2.gz BSQIMMQKAYDCLZ-GOSISDBHSA-N 2 1 347.503 3.950 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529936 1137679939 /nfs/dbraw/zinc/67/99/39/1137679939.db2.gz ABFXNWMHZZLQHK-CRAIPNDOSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529936 1137679940 /nfs/dbraw/zinc/67/99/40/1137679940.db2.gz ABFXNWMHZZLQHK-CRAIPNDOSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529936 1137679941 /nfs/dbraw/zinc/67/99/41/1137679941.db2.gz ABFXNWMHZZLQHK-CRAIPNDOSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529936 1137679942 /nfs/dbraw/zinc/67/99/42/1137679942.db2.gz ABFXNWMHZZLQHK-CRAIPNDOSA-N 2 1 347.503 3.806 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741775 1137687810 /nfs/dbraw/zinc/68/78/10/1137687810.db2.gz NNBNWEWPEGDIHF-OZVXOSDZSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741775 1137687811 /nfs/dbraw/zinc/68/78/11/1137687811.db2.gz NNBNWEWPEGDIHF-OZVXOSDZSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741775 1137687812 /nfs/dbraw/zinc/68/78/12/1137687812.db2.gz NNBNWEWPEGDIHF-OZVXOSDZSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741775 1137687813 /nfs/dbraw/zinc/68/78/13/1137687813.db2.gz NNBNWEWPEGDIHF-OZVXOSDZSA-N 2 1 336.426 3.717 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878159422 1137705004 /nfs/dbraw/zinc/70/50/04/1137705004.db2.gz LQYZKMRCTCCQSH-SESVDKBCSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878159422 1137705005 /nfs/dbraw/zinc/70/50/05/1137705005.db2.gz LQYZKMRCTCCQSH-SESVDKBCSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878159422 1137705006 /nfs/dbraw/zinc/70/50/06/1137705006.db2.gz LQYZKMRCTCCQSH-SESVDKBCSA-N 2 1 330.516 3.961 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000879203767 1137741142 /nfs/dbraw/zinc/74/11/42/1137741142.db2.gz VLGWREVWQYAPJV-WOJBJXKFSA-N 2 1 328.500 3.857 20 0 EHADMP C[C@H](c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579535 1137751498 /nfs/dbraw/zinc/75/14/98/1137751498.db2.gz NJRXXHIAMDGVQJ-COXVUDFISA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579535 1137751499 /nfs/dbraw/zinc/75/14/99/1137751499.db2.gz NJRXXHIAMDGVQJ-COXVUDFISA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1)C(F)(F)F ZINC000879579535 1137751500 /nfs/dbraw/zinc/75/15/00/1137751500.db2.gz NJRXXHIAMDGVQJ-COXVUDFISA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1)C(F)(F)F ZINC000879579535 1137751501 /nfs/dbraw/zinc/75/15/01/1137751501.db2.gz NJRXXHIAMDGVQJ-COXVUDFISA-N 2 1 326.406 3.878 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(CO)c2ccccc2)cc1 ZINC000348254852 1137883578 /nfs/dbraw/zinc/88/35/78/1137883578.db2.gz ITFUAKWLYMTHGF-VGOFRKELSA-N 2 1 349.478 3.782 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331664101 1137916319 /nfs/dbraw/zinc/91/63/19/1137916319.db2.gz YXIATXJCINNBNP-IEBWSBKVSA-N 2 1 329.488 3.599 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000332310914 1137939422 /nfs/dbraw/zinc/93/94/22/1137939422.db2.gz PGZNKSMWJQOJHJ-QGZVFWFLSA-N 2 1 331.504 3.724 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(CC)nn(C)c2Cl)CC1 ZINC000134147533 1137943463 /nfs/dbraw/zinc/94/34/63/1137943463.db2.gz RNXJJSZUENNAQE-UHFFFAOYSA-N 2 1 340.943 3.580 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202723051 1137954135 /nfs/dbraw/zinc/95/41/35/1137954135.db2.gz YMZVIQILRNBZRU-HXUWFJFHSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000886225689 1138061009 /nfs/dbraw/zinc/06/10/09/1138061009.db2.gz ATQRWJJYZMHOGV-FQEVSTJZSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886534902 1138091998 /nfs/dbraw/zinc/09/19/98/1138091998.db2.gz RAEGEBCFJLYDAW-ACRUOGEOSA-N 2 1 344.543 3.818 20 0 EHADMP OCCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000886534983 1138092208 /nfs/dbraw/zinc/09/22/08/1138092208.db2.gz SEXGYRUJLDNMCS-HBMCJLEFSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC[C@@H]1O ZINC000886537278 1138092359 /nfs/dbraw/zinc/09/23/59/1138092359.db2.gz XPSRDGPMCLARKZ-LILSUDLASA-N 2 1 342.527 3.570 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc1 ZINC000886561578 1138097164 /nfs/dbraw/zinc/09/71/64/1138097164.db2.gz BUUKQTZKCXFRIB-DBVUQKKJSA-N 2 1 341.886 3.878 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1 ZINC000886561578 1138097167 /nfs/dbraw/zinc/09/71/67/1138097167.db2.gz BUUKQTZKCXFRIB-DBVUQKKJSA-N 2 1 341.886 3.878 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c2ccccc21 ZINC000886638356 1138104486 /nfs/dbraw/zinc/10/44/86/1138104486.db2.gz RZBGIJBAKWHFFK-WOEVYDRPSA-N 2 1 348.490 3.808 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)[nH+]c1C ZINC000886667991 1138111577 /nfs/dbraw/zinc/11/15/77/1138111577.db2.gz LPOHCANFZOQUJH-UHFFFAOYSA-N 2 1 335.455 3.592 20 0 EHADMP c1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000886818586 1138148814 /nfs/dbraw/zinc/14/88/14/1138148814.db2.gz HGPULTILXJWQDH-LEWJYISDSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000093645087 1138239071 /nfs/dbraw/zinc/23/90/71/1138239071.db2.gz XYGGOQOMMZQAGV-YPMHNXCESA-N 2 1 332.822 3.856 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645087 1138239073 /nfs/dbraw/zinc/23/90/73/1138239073.db2.gz XYGGOQOMMZQAGV-YPMHNXCESA-N 2 1 332.822 3.856 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645087 1138239074 /nfs/dbraw/zinc/23/90/74/1138239074.db2.gz XYGGOQOMMZQAGV-YPMHNXCESA-N 2 1 332.822 3.856 20 0 EHADMP CC(C)n1cc([C@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000122807787 1138262259 /nfs/dbraw/zinc/26/22/59/1138262259.db2.gz WCKBRLNKEXORKL-KRWDZBQOSA-N 2 1 326.488 3.563 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126030954 1138322173 /nfs/dbraw/zinc/32/21/73/1138322173.db2.gz WLIMGTNRNIJVLI-GUXCAODWSA-N 2 1 343.515 3.634 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126030954 1138322177 /nfs/dbraw/zinc/32/21/77/1138322177.db2.gz WLIMGTNRNIJVLI-GUXCAODWSA-N 2 1 343.515 3.634 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000091589271 1138420993 /nfs/dbraw/zinc/42/09/93/1138420993.db2.gz RUHJQSFFMARNJB-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000091589271 1138420995 /nfs/dbraw/zinc/42/09/95/1138420995.db2.gz RUHJQSFFMARNJB-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589271 1138420997 /nfs/dbraw/zinc/42/09/97/1138420997.db2.gz RUHJQSFFMARNJB-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589271 1138420999 /nfs/dbraw/zinc/42/09/99/1138420999.db2.gz RUHJQSFFMARNJB-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000130723975 1138471957 /nfs/dbraw/zinc/47/19/57/1138471957.db2.gz NOCQWEPNDJZQQB-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000130723975 1138471960 /nfs/dbraw/zinc/47/19/60/1138471960.db2.gz NOCQWEPNDJZQQB-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000337998474 1138719777 /nfs/dbraw/zinc/71/97/77/1138719777.db2.gz NOZGGYDVKXTROO-CYBMUJFWSA-N 2 1 325.378 3.821 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)oc1C ZINC000337999957 1138720366 /nfs/dbraw/zinc/72/03/66/1138720366.db2.gz PKIJNGUGOWNQFC-RTBURBONSA-N 2 1 331.504 3.672 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000338132254 1138760701 /nfs/dbraw/zinc/76/07/01/1138760701.db2.gz DSKLLDWKDQAKOE-MRXNPFEDSA-N 2 1 346.906 3.880 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000338132254 1138760703 /nfs/dbraw/zinc/76/07/03/1138760703.db2.gz DSKLLDWKDQAKOE-MRXNPFEDSA-N 2 1 346.906 3.880 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000338132254 1138760708 /nfs/dbraw/zinc/76/07/08/1138760708.db2.gz DSKLLDWKDQAKOE-MRXNPFEDSA-N 2 1 346.906 3.880 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348500068 1138957271 /nfs/dbraw/zinc/95/72/71/1138957271.db2.gz WNOWPEMGONIKCE-UHFFFAOYSA-N 2 1 346.422 3.972 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174275236 1139410923 /nfs/dbraw/zinc/41/09/23/1139410923.db2.gz XOHQPRMXMPTCDI-IAGOWNOFSA-N 2 1 342.483 3.540 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000178092336 1139669194 /nfs/dbraw/zinc/66/91/94/1139669194.db2.gz GBIMYECPFXMFHF-DLBZAZTESA-N 2 1 340.515 3.954 20 0 EHADMP CC(C)CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178522860 1139701268 /nfs/dbraw/zinc/70/12/68/1139701268.db2.gz ISIIWHOBVGUVEN-SFHVURJKSA-N 2 1 348.531 3.609 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000178706849 1139712830 /nfs/dbraw/zinc/71/28/30/1139712830.db2.gz UYDOOLKXFJFZIV-NWDGAFQWSA-N 2 1 341.377 3.919 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179233693 1139743983 /nfs/dbraw/zinc/74/39/83/1139743983.db2.gz ZRJCAEYQTCVMIS-SNVBAGLBSA-N 2 1 343.294 3.542 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@H]2CSCCS2)C3)cc1 ZINC000180156969 1139813540 /nfs/dbraw/zinc/81/35/40/1139813540.db2.gz NADXIBCVROLVGQ-IPQPSQTFSA-N 2 1 348.581 3.620 20 0 EHADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@@H]1O ZINC000180155374 1139813731 /nfs/dbraw/zinc/81/37/31/1139813731.db2.gz NYNZXPZNPWWMNY-NAQMCUANSA-N 2 1 342.527 3.713 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000180641266 1139852890 /nfs/dbraw/zinc/85/28/90/1139852890.db2.gz IIUMUBQJTPZMPQ-SFTDATJTSA-N 2 1 342.458 3.633 20 0 EHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000182265329 1139961647 /nfs/dbraw/zinc/96/16/47/1139961647.db2.gz VMRWEYNKSLJAFG-FCHUYYIVSA-N 2 1 338.495 3.740 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132209 1140015365 /nfs/dbraw/zinc/01/53/65/1140015365.db2.gz HVCCQZSUIYAWEF-HLAWJBBLSA-N 2 1 339.483 3.682 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132209 1140015371 /nfs/dbraw/zinc/01/53/71/1140015371.db2.gz HVCCQZSUIYAWEF-HLAWJBBLSA-N 2 1 339.483 3.682 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncc(C)c3)CC2)oc1C ZINC000184353984 1140097705 /nfs/dbraw/zinc/09/77/05/1140097705.db2.gz OHRCEIQXIIJUSG-MRXNPFEDSA-N 2 1 342.487 3.558 20 0 EHADMP C[C@@H]([NH2+]CCCOCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744128 1140167855 /nfs/dbraw/zinc/16/78/55/1140167855.db2.gz HRGNDFMYODXMCA-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP Clc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000192983767 1140558390 /nfs/dbraw/zinc/55/83/90/1140558390.db2.gz IEJQCAMXDQKISX-UHFFFAOYSA-N 2 1 336.888 3.524 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000268891441 1141019415 /nfs/dbraw/zinc/01/94/15/1141019415.db2.gz JTSAXVJBLZYLTR-FVJLSDCUSA-N 2 1 346.515 3.504 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000269045901 1141055266 /nfs/dbraw/zinc/05/52/66/1141055266.db2.gz YKMODVNGPCKPOG-HNAYVOBHSA-N 2 1 343.540 3.803 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000269111230 1141066994 /nfs/dbraw/zinc/06/69/94/1141066994.db2.gz VTDIHRVKSWLKIH-PMXSJFBMSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000269111230 1141067001 /nfs/dbraw/zinc/06/70/01/1141067001.db2.gz VTDIHRVKSWLKIH-PMXSJFBMSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000270880190 1141279380 /nfs/dbraw/zinc/27/93/80/1141279380.db2.gz NKOCTGPTHBBBTC-WOJBJXKFSA-N 2 1 327.472 3.560 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000270880190 1141279384 /nfs/dbraw/zinc/27/93/84/1141279384.db2.gz NKOCTGPTHBBBTC-WOJBJXKFSA-N 2 1 327.472 3.560 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271551317 1141395240 /nfs/dbraw/zinc/39/52/40/1141395240.db2.gz VXDFXQSXXZMTCP-LKQDWFRTSA-N 2 1 343.298 3.632 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(C)cc(OC)nc1C ZINC000349006660 1141621172 /nfs/dbraw/zinc/62/11/72/1141621172.db2.gz LTUXLZKIERSZTC-UHFFFAOYSA-N 2 1 341.499 3.791 20 0 EHADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000234288284 523197377 /nfs/dbraw/zinc/19/73/77/523197377.db2.gz UHUUHWPTSFGBFY-GFCCVEGCSA-N 2 1 331.685 3.676 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](CC(C)C)CC2)nc1 ZINC001164657527 719339652 /nfs/dbraw/zinc/33/96/52/719339652.db2.gz PTWWGFILPGSSDC-FQEVSTJZSA-N 2 1 344.547 3.797 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(C)C ZINC000459395128 1032058027 /nfs/dbraw/zinc/05/80/27/1032058027.db2.gz UTVBYUIESKRHQL-HNNXBMFYSA-N 2 1 332.488 3.760 20 0 EHADMP Cc1cccc(C)c1OC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000459396432 1032062758 /nfs/dbraw/zinc/06/27/58/1032062758.db2.gz IPQRFNZOZBZRIT-SFHVURJKSA-N 2 1 329.488 3.663 20 0 EHADMP Fc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904472340 1032071587 /nfs/dbraw/zinc/07/15/87/1032071587.db2.gz FHLOWHDLBFAQHO-MJGOQNOKSA-N 2 1 346.833 3.825 20 0 EHADMP COCCSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459411629 1032079971 /nfs/dbraw/zinc/07/99/71/1032079971.db2.gz QPVBEAODHUQFBW-OAHLLOKOSA-N 2 1 334.529 3.703 20 0 EHADMP C[C@@H]1CSCC[NH+]1Cc1ccccc1C[N@@H+]1CCSC[C@H]1C ZINC000343731398 1032096154 /nfs/dbraw/zinc/09/61/54/1032096154.db2.gz BJRJKZQGEUEUBE-HZPDHXFCSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000274761689 1014979638 /nfs/dbraw/zinc/97/96/38/1014979638.db2.gz KDZIOOSBIHZTFY-SVFBPWRDSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000274761687 1014979896 /nfs/dbraw/zinc/97/98/96/1014979896.db2.gz KDZIOOSBIHZTFY-IRFCIJBXSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093461 1014988052 /nfs/dbraw/zinc/98/80/52/1014988052.db2.gz QEFCOJPUWURGBF-YDHLFZDLSA-N 2 1 330.394 3.761 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093461 1014988059 /nfs/dbraw/zinc/98/80/59/1014988059.db2.gz QEFCOJPUWURGBF-YDHLFZDLSA-N 2 1 330.394 3.761 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274802209 1015244998 /nfs/dbraw/zinc/24/49/98/1015244998.db2.gz VNEMOKACCNCXHU-HDAAZOAOSA-N 2 1 330.516 3.692 20 0 EHADMP CCc1nc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274882434 1015566417 /nfs/dbraw/zinc/56/64/17/1015566417.db2.gz HVEYJGBEAVPTNF-FUHWJXTLSA-N 2 1 343.540 3.748 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001208920333 1015595747 /nfs/dbraw/zinc/59/57/47/1015595747.db2.gz FYMSFDQFMDJMTO-UXHICEINSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001208920333 1015595760 /nfs/dbraw/zinc/59/57/60/1015595760.db2.gz FYMSFDQFMDJMTO-UXHICEINSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001208920333 1015595771 /nfs/dbraw/zinc/59/57/71/1015595771.db2.gz FYMSFDQFMDJMTO-UXHICEINSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657838042 1032125792 /nfs/dbraw/zinc/12/57/92/1032125792.db2.gz NBRPRGAKEXLEIU-FXAWDEMLSA-N 2 1 328.500 3.720 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c(C)n1 ZINC000154856167 1015864113 /nfs/dbraw/zinc/86/41/13/1015864113.db2.gz SLIYPKDJJSNOFT-HNNXBMFYSA-N 2 1 326.488 3.784 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163586903 1016383021 /nfs/dbraw/zinc/38/30/21/1016383021.db2.gz QYWHIYZTISQFJF-QINHECLXSA-N 2 1 349.950 3.623 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000178078507 1016518189 /nfs/dbraw/zinc/51/81/89/1016518189.db2.gz AAEBSVMFULMGRK-FAXKSRBJSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000178078507 1016518199 /nfs/dbraw/zinc/51/81/99/1016518199.db2.gz AAEBSVMFULMGRK-FAXKSRBJSA-N 2 1 338.499 3.575 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340234640 1016745393 /nfs/dbraw/zinc/74/53/93/1016745393.db2.gz BJAWMQQFIPAUJQ-FWZVCBSNSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311514601 1016800212 /nfs/dbraw/zinc/80/02/12/1016800212.db2.gz HZOSZNQNFNRNQX-XLIONFOSSA-N 2 1 348.494 3.643 20 0 EHADMP CCO[C@H](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000547828099 1016976734 /nfs/dbraw/zinc/97/67/34/1016976734.db2.gz AMNHUKZMUCLXOV-SESVDKBCSA-N 2 1 332.532 3.938 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000536707211 1032184848 /nfs/dbraw/zinc/18/48/48/1032184848.db2.gz FUAPVPGUPGNRFJ-NRFANRHFSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000536707211 1032184854 /nfs/dbraw/zinc/18/48/54/1032184854.db2.gz FUAPVPGUPGNRFJ-NRFANRHFSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000536707211 1032184857 /nfs/dbraw/zinc/18/48/57/1032184857.db2.gz FUAPVPGUPGNRFJ-NRFANRHFSA-N 2 1 344.543 3.893 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCCn2cccn2)cc1 ZINC000183682612 1032193466 /nfs/dbraw/zinc/19/34/66/1032193466.db2.gz MJPXJEUJEQQHMV-KRWDZBQOSA-N 2 1 337.471 3.898 20 0 EHADMP C/C(Cl)=C\C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000528371392 1032205823 /nfs/dbraw/zinc/20/58/23/1032205823.db2.gz DDUROYNIIJONIS-NXNKFBBFSA-N 2 1 336.907 3.506 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000449119904 1032212171 /nfs/dbraw/zinc/21/21/71/1032212171.db2.gz ATINHDMXSDKYNE-HXUWFJFHSA-N 2 1 338.495 3.658 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000449119904 1032212180 /nfs/dbraw/zinc/21/21/80/1032212180.db2.gz ATINHDMXSDKYNE-HXUWFJFHSA-N 2 1 338.495 3.658 20 0 EHADMP CC[C@](O)(C[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)C(F)(F)F ZINC000905122257 1032350084 /nfs/dbraw/zinc/35/00/84/1032350084.db2.gz LJTRIFGWSPOWJX-YOEHRIQHSA-N 2 1 344.421 3.505 20 0 EHADMP FC(F)(F)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)CC12CCOCC2 ZINC000459653892 1032377021 /nfs/dbraw/zinc/37/70/21/1032377021.db2.gz DVXNUXDEWVDGCB-MRXNPFEDSA-N 2 1 348.453 3.543 20 0 EHADMP FC(F)(F)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CC12CCOCC2 ZINC000459653892 1032377031 /nfs/dbraw/zinc/37/70/31/1032377031.db2.gz DVXNUXDEWVDGCB-MRXNPFEDSA-N 2 1 348.453 3.543 20 0 EHADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000459730515 1032435198 /nfs/dbraw/zinc/43/51/98/1032435198.db2.gz KLYOASOHCWUZKT-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449317115 1032449686 /nfs/dbraw/zinc/44/96/86/1032449686.db2.gz BAWCRDYIXDUPMD-KNQAVFIVSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000459744089 1032456681 /nfs/dbraw/zinc/45/66/81/1032456681.db2.gz XRXTXVVKNAGTEU-LSDHHAIUSA-N 2 1 339.321 3.874 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000085306377 1032472328 /nfs/dbraw/zinc/47/23/28/1032472328.db2.gz LWGMPWHAQHMIQS-DEOSSOPVSA-N 2 1 344.524 3.554 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000537105173 1032523000 /nfs/dbraw/zinc/52/30/00/1032523000.db2.gz SBTJUTBDNBLXOY-FUHWJXTLSA-N 2 1 336.545 3.950 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449436195 1032580137 /nfs/dbraw/zinc/58/01/37/1032580137.db2.gz GQCIZXKLMCLTPH-QGZVFWFLSA-N 2 1 344.421 3.591 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000537295850 1032602729 /nfs/dbraw/zinc/60/27/29/1032602729.db2.gz SKBPXAAMXSPYIM-SPUZQDLCSA-N 2 1 336.545 3.924 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000537295850 1032602734 /nfs/dbraw/zinc/60/27/34/1032602734.db2.gz SKBPXAAMXSPYIM-SPUZQDLCSA-N 2 1 336.545 3.924 20 0 EHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1C ZINC000657862515 1032634769 /nfs/dbraw/zinc/63/47/69/1032634769.db2.gz DVYYWLOXHHCPDB-MRXNPFEDSA-N 2 1 325.378 3.821 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(CF)CCOCC2)cc1 ZINC000449489233 1032651053 /nfs/dbraw/zinc/65/10/53/1032651053.db2.gz PNDBHUBUWRABOF-HNNXBMFYSA-N 2 1 331.435 3.598 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091265285 1032678926 /nfs/dbraw/zinc/67/89/26/1032678926.db2.gz APEGDMAUEDMLAF-QGZVFWFLSA-N 2 1 337.305 3.974 20 0 EHADMP c1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000091265961 1032678225 /nfs/dbraw/zinc/67/82/25/1032678225.db2.gz TXRPBDDJHOTMSL-JOCHJYFZSA-N 2 1 336.479 3.760 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1F ZINC000237734097 1017136470 /nfs/dbraw/zinc/13/64/70/1017136470.db2.gz NCFKKOMCMXLSEG-UHFFFAOYSA-N 2 1 326.459 3.931 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CC3 ZINC000376823572 1017143615 /nfs/dbraw/zinc/14/36/15/1017143615.db2.gz PXIFMLOMMLCKNF-DXEZIKHYSA-N 2 1 325.500 3.652 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CC3 ZINC000376823573 1017143919 /nfs/dbraw/zinc/14/39/19/1017143919.db2.gz PXIFMLOMMLCKNF-GXYOHSSGSA-N 2 1 325.500 3.652 20 0 EHADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447743 1032687096 /nfs/dbraw/zinc/68/70/96/1032687096.db2.gz CZAUGSWJFVHOCL-LJQANCHMSA-N 2 1 346.515 3.805 20 0 EHADMP CCCOc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447743 1032687106 /nfs/dbraw/zinc/68/71/06/1032687106.db2.gz CZAUGSWJFVHOCL-LJQANCHMSA-N 2 1 346.515 3.805 20 0 EHADMP CC(C)Oc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655690841 1017398929 /nfs/dbraw/zinc/39/89/29/1017398929.db2.gz MBFPRJWDNHDBQQ-LAUBAEHRSA-N 2 1 346.515 3.768 20 0 EHADMP FC(F)(F)c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC000415036227 1017425375 /nfs/dbraw/zinc/42/53/75/1017425375.db2.gz LNCDHAADYBZUTI-FOLVSLTJSA-N 2 1 338.398 3.741 20 0 EHADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655708102 1017442982 /nfs/dbraw/zinc/44/29/82/1017442982.db2.gz DHZLFIVUXVTUKX-LEWJYISDSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655708105 1017443120 /nfs/dbraw/zinc/44/31/20/1017443120.db2.gz DHZLFIVUXVTUKX-SFTDATJTSA-N 2 1 328.500 3.761 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655718999 1017456258 /nfs/dbraw/zinc/45/62/58/1017456258.db2.gz SBLCARVFEUAZSH-NRFANRHFSA-N 2 1 344.543 3.977 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655720853 1017460537 /nfs/dbraw/zinc/46/05/37/1017460537.db2.gz HUSMAFWSCQBILX-UHFFFAOYSA-N 2 1 340.515 3.843 20 0 EHADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000655733422 1017487869 /nfs/dbraw/zinc/48/78/69/1017487869.db2.gz MZJCPPSLJMDAGE-OAQYLSRUSA-N 2 1 342.527 3.632 20 0 EHADMP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415073318 1017514683 /nfs/dbraw/zinc/51/46/83/1017514683.db2.gz AWFCYCYXVOTCLB-MOXGXCLJSA-N 2 1 328.431 3.676 20 0 EHADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655754540 1017537301 /nfs/dbraw/zinc/53/73/01/1017537301.db2.gz CFRHYCDCTPYZTP-PIPMEXSNSA-N 2 1 342.527 3.933 20 0 EHADMP CC(C)c1nc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000415096030 1017542780 /nfs/dbraw/zinc/54/27/80/1017542780.db2.gz ANXCUOSWJLYGBR-FUHWJXTLSA-N 2 1 329.513 3.892 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000655756148 1017547307 /nfs/dbraw/zinc/54/73/07/1017547307.db2.gz PFZWRCGSSMHWMN-RHSMWYFYSA-N 2 1 345.512 3.590 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655762209 1017558963 /nfs/dbraw/zinc/55/89/63/1017558963.db2.gz CQKCWSFBLZXGKE-DOTOQJQBSA-N 2 1 334.529 3.703 20 0 EHADMP Clc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)c1 ZINC000655779877 1017589211 /nfs/dbraw/zinc/58/92/11/1017589211.db2.gz SXYJLGIZUODFAU-LJQANCHMSA-N 2 1 348.918 3.952 20 0 EHADMP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655788477 1017605412 /nfs/dbraw/zinc/60/54/12/1017605412.db2.gz JOZZNOYBESUTRK-GUGJDKNPSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655788478 1017605650 /nfs/dbraw/zinc/60/56/50/1017605650.db2.gz JOZZNOYBESUTRK-KVJIRVJXSA-N 2 1 342.527 3.834 20 0 EHADMP Fc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1OC(F)F ZINC000659843713 1017768397 /nfs/dbraw/zinc/76/83/97/1017768397.db2.gz YGGLRORIMPIEDY-UHFFFAOYSA-N 2 1 342.405 3.735 20 0 EHADMP COc1cc2ccc([C@@H](C)[NH2+]CCn3cc[nH+]c3C)cc2cc1OC ZINC000657865571 1032722934 /nfs/dbraw/zinc/72/29/34/1032722934.db2.gz ZOXPBBYMSSEMDH-CQSZACIVSA-N 2 1 339.439 3.713 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892947131 1017894665 /nfs/dbraw/zinc/89/46/65/1017894665.db2.gz WTJDPMMJDFWQNF-ZDUSSCGKSA-N 2 1 339.505 3.527 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892947131 1017894686 /nfs/dbraw/zinc/89/46/86/1017894686.db2.gz WTJDPMMJDFWQNF-ZDUSSCGKSA-N 2 1 339.505 3.527 20 0 EHADMP OCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000683693020 1018038089 /nfs/dbraw/zinc/03/80/89/1018038089.db2.gz ZHZYWIQSWVIPEO-WKCHPHFGSA-N 2 1 342.527 3.714 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000340502492 1018156139 /nfs/dbraw/zinc/15/61/39/1018156139.db2.gz LFWNKPSRCZFRLO-UHFFFAOYSA-N 2 1 330.516 3.572 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@@H]1c1cccs1 ZINC000893021326 1018187842 /nfs/dbraw/zinc/18/78/42/1018187842.db2.gz SOFMIVVYTUGPDO-RDTXWAMCSA-N 2 1 334.460 3.766 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@@H]1c1cccs1 ZINC000893021326 1018187849 /nfs/dbraw/zinc/18/78/49/1018187849.db2.gz SOFMIVVYTUGPDO-RDTXWAMCSA-N 2 1 334.460 3.766 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000340520155 1018210999 /nfs/dbraw/zinc/21/09/99/1018210999.db2.gz PBOUCEIYZPPEHL-CSFFLVESSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000340520155 1018211022 /nfs/dbraw/zinc/21/10/22/1018211022.db2.gz PBOUCEIYZPPEHL-CSFFLVESSA-N 2 1 346.540 3.678 20 0 EHADMP COc1ccc(Oc2ccc(CC[NH2+]C3CC[NH+](C)CC3)cc2)cc1 ZINC000090846580 1018284034 /nfs/dbraw/zinc/28/40/34/1018284034.db2.gz WMFPTLXGZAFGMA-UHFFFAOYSA-N 2 1 340.467 3.714 20 0 EHADMP COc1cccc(C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)c2ccccc2)c1 ZINC000377802936 1018397785 /nfs/dbraw/zinc/39/77/85/1018397785.db2.gz PKQADSVNNQNCIK-NQIIRXRSSA-N 2 1 347.462 3.849 20 0 EHADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000377888721 1018512978 /nfs/dbraw/zinc/51/29/78/1018512978.db2.gz LSQCJZXDKQZEJK-AWEZNQCLSA-N 2 1 342.443 3.672 20 0 EHADMP Cn1ccnc1[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000377888721 1018512988 /nfs/dbraw/zinc/51/29/88/1018512988.db2.gz LSQCJZXDKQZEJK-AWEZNQCLSA-N 2 1 342.443 3.672 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC(F)(F)F ZINC000396875593 1032784531 /nfs/dbraw/zinc/78/45/31/1032784531.db2.gz DNBJLOJVISVSRT-HNNXBMFYSA-N 2 1 328.422 3.872 20 0 EHADMP Cc1ccc2cc[nH+]c(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000664153382 1019040151 /nfs/dbraw/zinc/04/01/51/1019040151.db2.gz UETNBYKQYYQXMU-UHFFFAOYSA-N 2 1 339.483 3.846 20 0 EHADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC001167382256 1019098075 /nfs/dbraw/zinc/09/80/75/1019098075.db2.gz WUHAUQWXYBMLLB-QFIPXVFZSA-N 2 1 340.511 3.841 20 0 EHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560827 1032809625 /nfs/dbraw/zinc/80/96/25/1032809625.db2.gz PYGCWPLCBYCIOA-FUDCBSFHSA-N 2 1 343.298 3.976 20 0 EHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4C[C@H]4C2)CC3)c1 ZINC001167939183 1019287576 /nfs/dbraw/zinc/28/75/76/1019287576.db2.gz HYVURSMTKCFVML-PMOLBWCYSA-N 2 1 340.511 3.782 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557823 1019331672 /nfs/dbraw/zinc/33/16/72/1019331672.db2.gz OKVBXAZPYMDYPG-LLGFUMIMSA-N 2 1 348.494 3.844 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccccc3)CC2(C)C)CC1 ZINC000932906350 1019364537 /nfs/dbraw/zinc/36/45/37/1019364537.db2.gz WXLJGWDFPVAGFN-NRFANRHFSA-N 2 1 343.559 3.671 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000580501559 1019513545 /nfs/dbraw/zinc/51/35/45/1019513545.db2.gz KBAPVLHNNLDMJW-SFHLNBCPSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000580501559 1019513566 /nfs/dbraw/zinc/51/35/66/1019513566.db2.gz KBAPVLHNNLDMJW-SFHLNBCPSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000580501559 1019513580 /nfs/dbraw/zinc/51/35/80/1019513580.db2.gz KBAPVLHNNLDMJW-SFHLNBCPSA-N 2 1 331.548 3.607 20 0 EHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000513510044 1019752613 /nfs/dbraw/zinc/75/26/13/1019752613.db2.gz YBAWKSRWXLAPBW-IEBWSBKVSA-N 2 1 336.545 3.662 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(C)C ZINC000155818351 1019851857 /nfs/dbraw/zinc/85/18/57/1019851857.db2.gz MMJXEQUHVGAWBR-KRWDZBQOSA-N 2 1 347.503 3.803 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000513656926 1019912607 /nfs/dbraw/zinc/91/26/07/1019912607.db2.gz ZCUFYHYILPCTJE-PCCBWWKXSA-N 2 1 328.500 3.970 20 0 EHADMP Cc1nc2ccccc2n1C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000280147814 1020115466 /nfs/dbraw/zinc/11/54/66/1020115466.db2.gz CTTNUKJBTNOJKY-GOSISDBHSA-N 2 1 340.515 3.856 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000574288489 1032880455 /nfs/dbraw/zinc/88/04/55/1032880455.db2.gz NNAFUGUDFFKQBY-LPHOPBHVSA-N 2 1 340.467 3.586 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000574288489 1032880467 /nfs/dbraw/zinc/88/04/67/1032880467.db2.gz NNAFUGUDFFKQBY-LPHOPBHVSA-N 2 1 340.467 3.586 20 0 EHADMP CCCc1ncc(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)o1 ZINC000449614807 1032886127 /nfs/dbraw/zinc/88/61/27/1032886127.db2.gz WXOUYEYDRRYPTL-UHFFFAOYSA-N 2 1 329.488 3.875 20 0 EHADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902988 1032892925 /nfs/dbraw/zinc/89/29/25/1032892925.db2.gz SNOCVRKAKUUWFC-OAHLLOKOSA-N 2 1 342.405 3.502 20 0 EHADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902988 1032892939 /nfs/dbraw/zinc/89/29/39/1032892939.db2.gz SNOCVRKAKUUWFC-OAHLLOKOSA-N 2 1 342.405 3.502 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542645 1020584678 /nfs/dbraw/zinc/58/46/78/1020584678.db2.gz CMLZVVXHYGRBKQ-JSGCOSHPSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542645 1020584684 /nfs/dbraw/zinc/58/46/84/1020584684.db2.gz CMLZVVXHYGRBKQ-JSGCOSHPSA-N 2 1 348.288 3.557 20 0 EHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000501074739 1020694311 /nfs/dbraw/zinc/69/43/11/1020694311.db2.gz FXTOAHQSADAVFB-SFHVURJKSA-N 2 1 335.511 3.625 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430587454 1020806080 /nfs/dbraw/zinc/80/60/80/1020806080.db2.gz WAQNXQJOKHEHGM-MRXNPFEDSA-N 2 1 339.483 3.917 20 0 EHADMP c1sc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1C1CCCCC1 ZINC000090046492 1020993619 /nfs/dbraw/zinc/99/36/19/1020993619.db2.gz QSGWSDZFVNFZMF-IAGOWNOFSA-N 2 1 333.545 3.950 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502774 1021089973 /nfs/dbraw/zinc/08/99/73/1021089973.db2.gz WVYQARGCOWDXES-BURNTYAHSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502774 1021089981 /nfs/dbraw/zinc/08/99/81/1021089981.db2.gz WVYQARGCOWDXES-BURNTYAHSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502774 1021089988 /nfs/dbraw/zinc/08/99/88/1021089988.db2.gz WVYQARGCOWDXES-BURNTYAHSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502774 1021090008 /nfs/dbraw/zinc/09/00/08/1021090008.db2.gz WVYQARGCOWDXES-BURNTYAHSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502774 1021090015 /nfs/dbraw/zinc/09/00/15/1021090015.db2.gz WVYQARGCOWDXES-BURNTYAHSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502774 1021090032 /nfs/dbraw/zinc/09/00/32/1021090032.db2.gz WVYQARGCOWDXES-BURNTYAHSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502774 1021090039 /nfs/dbraw/zinc/09/00/39/1021090039.db2.gz WVYQARGCOWDXES-BURNTYAHSA-N 2 1 335.580 3.551 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430612201 1021101938 /nfs/dbraw/zinc/10/19/38/1021101938.db2.gz RERHDCUHNMTBQJ-KRWDZBQOSA-N 2 1 326.440 3.528 20 0 EHADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccc(F)cc12 ZINC001167964233 1021279863 /nfs/dbraw/zinc/27/98/63/1021279863.db2.gz NXBNIMVNKYNXEE-DFNIBXOVSA-N 2 1 341.474 3.860 20 0 EHADMP FC(F)COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784466 1021333875 /nfs/dbraw/zinc/33/38/75/1021333875.db2.gz DJLZPWNJIWADQC-KRWDZBQOSA-N 2 1 338.442 3.542 20 0 EHADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439312891 1021337271 /nfs/dbraw/zinc/33/72/71/1021337271.db2.gz CXKXEBDLAQBYOI-UHFFFAOYSA-N 2 1 348.288 3.834 20 0 EHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652756333 1021572529 /nfs/dbraw/zinc/57/25/29/1021572529.db2.gz BNQXTUJCUAGZFV-KRWDZBQOSA-N 2 1 348.535 3.558 20 0 EHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000652756333 1021572541 /nfs/dbraw/zinc/57/25/41/1021572541.db2.gz BNQXTUJCUAGZFV-KRWDZBQOSA-N 2 1 348.535 3.558 20 0 EHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441195542 1022047774 /nfs/dbraw/zinc/04/77/74/1022047774.db2.gz KZZODBMSEHDMQB-YUXAGFNASA-N 2 1 338.495 3.832 20 0 EHADMP CCC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000894416462 1022237884 /nfs/dbraw/zinc/23/78/84/1022237884.db2.gz YQXUWCPPDYDHQP-ZCNNSNEGSA-N 2 1 328.500 3.588 20 0 EHADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000550077841 1022345443 /nfs/dbraw/zinc/34/54/43/1022345443.db2.gz GNKYMHAHPMUDSV-QZTJIDSGSA-N 2 1 338.536 3.743 20 0 EHADMP COC(=O)c1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167970960 1022385380 /nfs/dbraw/zinc/38/53/80/1022385380.db2.gz QWPUYIVZQHMDJB-LRLLJDFBSA-N 2 1 342.483 3.529 20 0 EHADMP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894554516 1022543857 /nfs/dbraw/zinc/54/38/57/1022543857.db2.gz GJGPNUVFPALUFW-FQEVSTJZSA-N 2 1 340.515 3.603 20 0 EHADMP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894554516 1022543861 /nfs/dbraw/zinc/54/38/61/1022543861.db2.gz GJGPNUVFPALUFW-FQEVSTJZSA-N 2 1 340.515 3.603 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000550200685 1022732409 /nfs/dbraw/zinc/73/24/09/1022732409.db2.gz SPVGPZQYNCMAFN-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000449691016 1033076721 /nfs/dbraw/zinc/07/67/21/1033076721.db2.gz SYIIABZQKNNVCC-FPOVZHCZSA-N 2 1 330.516 3.661 20 0 EHADMP COc1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)ccn1 ZINC001167978547 1022750557 /nfs/dbraw/zinc/75/05/57/1022750557.db2.gz OSKTZIJSCSJUAO-QYYYHEGRSA-N 2 1 341.499 3.536 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158194417 1022918442 /nfs/dbraw/zinc/91/84/42/1022918442.db2.gz FSZOBCRZAFADJN-UKRRQHHQSA-N 2 1 330.501 3.506 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000430949661 1022938649 /nfs/dbraw/zinc/93/86/49/1022938649.db2.gz OJQYKRGHQGWUFP-LAUBAEHRSA-N 2 1 346.478 3.708 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937895 1023001920 /nfs/dbraw/zinc/00/19/20/1023001920.db2.gz LSASDEQKZNXSLD-PKOBYXMFSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937895 1023001933 /nfs/dbraw/zinc/00/19/33/1023001933.db2.gz LSASDEQKZNXSLD-PKOBYXMFSA-N 2 1 325.456 3.614 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000506932910 1023023348 /nfs/dbraw/zinc/02/33/48/1023023348.db2.gz UCFFQYANSJCIPI-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161879997 1023043154 /nfs/dbraw/zinc/04/31/54/1023043154.db2.gz VPXNSUFNUOGQFF-AUUYWEPGSA-N 2 1 325.431 3.827 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161879997 1023043162 /nfs/dbraw/zinc/04/31/62/1023043162.db2.gz VPXNSUFNUOGQFF-AUUYWEPGSA-N 2 1 325.431 3.827 20 0 EHADMP CC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000438829456 1023046745 /nfs/dbraw/zinc/04/67/45/1023046745.db2.gz CQSUWACCWVXKNR-NSKBAKJYSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000414959178 1023065413 /nfs/dbraw/zinc/06/54/13/1023065413.db2.gz RXRVWJAEACQFAG-JZWVFAODSA-N 2 1 349.522 3.516 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Br ZINC000578920083 1023227217 /nfs/dbraw/zinc/22/72/17/1023227217.db2.gz VXHLACBYEOYXEX-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1Br ZINC000578920083 1023227222 /nfs/dbraw/zinc/22/72/22/1023227222.db2.gz VXHLACBYEOYXEX-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Br ZINC000578920083 1023227227 /nfs/dbraw/zinc/22/72/27/1023227227.db2.gz VXHLACBYEOYXEX-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Br ZINC000578920083 1023227232 /nfs/dbraw/zinc/22/72/32/1023227232.db2.gz VXHLACBYEOYXEX-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087645 1023240973 /nfs/dbraw/zinc/24/09/73/1023240973.db2.gz UVVACFLXVPDHNY-QGZVFWFLSA-N 2 1 344.503 3.887 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000507348542 1023259592 /nfs/dbraw/zinc/25/95/92/1023259592.db2.gz MWPOHOXAICGZDT-UHFFFAOYSA-N 2 1 344.421 3.932 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000507348542 1023259600 /nfs/dbraw/zinc/25/96/00/1023259600.db2.gz MWPOHOXAICGZDT-UHFFFAOYSA-N 2 1 344.421 3.932 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000535684912 1023564176 /nfs/dbraw/zinc/56/41/76/1023564176.db2.gz CCGUQUMUCXFRMR-IEBWSBKVSA-N 2 1 336.907 3.544 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000067450060 1033152474 /nfs/dbraw/zinc/15/24/74/1033152474.db2.gz CBZHQVMPOGXCLG-UHFFFAOYSA-N 2 1 340.467 3.588 20 0 EHADMP COc1cc2ccc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875936 1033154663 /nfs/dbraw/zinc/15/46/63/1033154663.db2.gz JTSBVGYTCISFNQ-CVEARBPZSA-N 2 1 342.483 3.849 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897773086 1033159814 /nfs/dbraw/zinc/15/98/14/1033159814.db2.gz FXSONWRKDMFMCS-BSBSVZIISA-N 2 1 340.511 3.902 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897773086 1033159823 /nfs/dbraw/zinc/15/98/23/1033159823.db2.gz FXSONWRKDMFMCS-BSBSVZIISA-N 2 1 340.511 3.902 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105528 1024137744 /nfs/dbraw/zinc/13/77/44/1024137744.db2.gz RPRHAYBBAOFUNH-XJKSGUPXSA-N 2 1 330.394 3.968 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2ccc(COc3cccc(F)c3)cc2)CC1 ZINC000647230463 1024150302 /nfs/dbraw/zinc/15/03/02/1024150302.db2.gz QGZRBWCQKWQWLG-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000427601146 1024217081 /nfs/dbraw/zinc/21/70/81/1024217081.db2.gz XONHVKFUEMWKBF-OAHLLOKOSA-N 2 1 327.394 3.553 20 0 EHADMP Fc1cccc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1F ZINC000434688537 1024299446 /nfs/dbraw/zinc/29/94/46/1024299446.db2.gz NGLLKLDQLQPDJO-UHFFFAOYSA-N 2 1 345.437 3.920 20 0 EHADMP C[C@@H]1C[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005158 1024313288 /nfs/dbraw/zinc/31/32/88/1024313288.db2.gz HCFGTRQIFUEXDM-GMQQQROESA-N 2 1 349.522 3.818 20 0 EHADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1C ZINC000414854523 1024432043 /nfs/dbraw/zinc/43/20/43/1024432043.db2.gz VDENIPADOVJKIV-BEFAXECRSA-N 2 1 331.504 3.518 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000346145450 1024445924 /nfs/dbraw/zinc/44/59/24/1024445924.db2.gz SCSKWTCJGJJOFB-UHFFFAOYSA-N 2 1 346.434 3.571 20 0 EHADMP CC[NH+](CC)CCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007623 1024475718 /nfs/dbraw/zinc/47/57/18/1024475718.db2.gz TVLIRRBLFWRMFI-CEQLMSFQSA-N 2 1 331.548 3.750 20 0 EHADMP CC(C)N1CCc2nc(C[N@H+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763352 1033214310 /nfs/dbraw/zinc/21/43/10/1033214310.db2.gz QZHYSRDQZVYGCA-NARAOEGZSA-N 2 1 345.556 3.778 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763352 1033214323 /nfs/dbraw/zinc/21/43/23/1033214323.db2.gz QZHYSRDQZVYGCA-NARAOEGZSA-N 2 1 345.556 3.778 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763352 1033214332 /nfs/dbraw/zinc/21/43/32/1033214332.db2.gz QZHYSRDQZVYGCA-NARAOEGZSA-N 2 1 345.556 3.778 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763352 1033214349 /nfs/dbraw/zinc/21/43/49/1033214349.db2.gz QZHYSRDQZVYGCA-NARAOEGZSA-N 2 1 345.556 3.778 20 0 EHADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414862205 1024531892 /nfs/dbraw/zinc/53/18/92/1024531892.db2.gz VEZOTIWAOIUFMM-QUCCMNQESA-N 2 1 329.532 3.681 20 0 EHADMP CC(C)Oc1ccccc1CN1CCC(Nc2ccccn2)CC1 ZINC000536369068 1024532649 /nfs/dbraw/zinc/53/26/49/1024532649.db2.gz NFRHKNZSKWNVEI-UHFFFAOYSA-N 2 1 325.456 3.945 20 0 EHADMP C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168029639 1024552129 /nfs/dbraw/zinc/55/21/29/1024552129.db2.gz UGZPWPBXLZLXSQ-DBQGFPOUSA-N 3 1 343.559 3.890 20 0 EHADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553309 1024589911 /nfs/dbraw/zinc/58/99/11/1024589911.db2.gz CUQPILGWQCQUIM-GOSISDBHSA-N 2 1 340.515 3.606 20 0 EHADMP C[C@@H]1C[C@@H](NCc2cnc3ccccn23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008785 1024623139 /nfs/dbraw/zinc/62/31/39/1024623139.db2.gz YAYUSEMAPFJSCT-OPVJXMOQSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccccn23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008785 1024623143 /nfs/dbraw/zinc/62/31/43/1024623143.db2.gz YAYUSEMAPFJSCT-OPVJXMOQSA-N 2 1 348.494 3.866 20 0 EHADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCC[C@@H]4CCC[C@H]43)C2)cc1 ZINC000429689550 1024645167 /nfs/dbraw/zinc/64/51/67/1024645167.db2.gz FUXQDKKGXGAGCS-PCCBWWKXSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(Cc3c(OC(F)F)ccc4ccccc43)C2)C1 ZINC000430131695 1024662803 /nfs/dbraw/zinc/66/28/03/1024662803.db2.gz WDWHJKZPMXHGRQ-HXUWFJFHSA-N 2 1 346.421 3.969 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126543 1024671447 /nfs/dbraw/zinc/67/14/47/1024671447.db2.gz QEMXGTOUQNLSQR-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126543 1024671453 /nfs/dbraw/zinc/67/14/53/1024671453.db2.gz QEMXGTOUQNLSQR-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126543 1024671462 /nfs/dbraw/zinc/67/14/62/1024671462.db2.gz QEMXGTOUQNLSQR-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126543 1024671470 /nfs/dbraw/zinc/67/14/70/1024671470.db2.gz QEMXGTOUQNLSQR-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126543 1024671478 /nfs/dbraw/zinc/67/14/78/1024671478.db2.gz QEMXGTOUQNLSQR-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000514706297 1024683089 /nfs/dbraw/zinc/68/30/89/1024683089.db2.gz HABVLMHPWWAAQO-WIHSUSGWSA-N 2 1 348.453 3.609 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157016785 1024709114 /nfs/dbraw/zinc/70/91/14/1024709114.db2.gz MLPGVTDKQQRKMF-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc2c(c1)OCCO2 ZINC001167958487 1024730182 /nfs/dbraw/zinc/73/01/82/1024730182.db2.gz FVTACXYUFIXIEM-FMJMRLDVSA-N 2 1 342.483 3.514 20 0 EHADMP CSc1ccccc1C[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414868430 1024871529 /nfs/dbraw/zinc/87/15/29/1024871529.db2.gz ANBLWGOGCXSDBH-INIZCTEOSA-N 2 1 329.513 3.504 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346569698 1024876339 /nfs/dbraw/zinc/87/63/39/1024876339.db2.gz VNCJTXSELHQVOE-FQEVSTJZSA-N 2 1 338.430 3.885 20 0 EHADMP Cc1nc(C)c(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435421757 1024908384 /nfs/dbraw/zinc/90/83/84/1024908384.db2.gz LCCRHCXXTYTRLM-QGZVFWFLSA-N 2 1 347.553 3.966 20 0 EHADMP Cc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435428896 1024916617 /nfs/dbraw/zinc/91/66/17/1024916617.db2.gz UZMUPQRPUAAFCR-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435428896 1024916623 /nfs/dbraw/zinc/91/66/23/1024916623.db2.gz UZMUPQRPUAAFCR-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000105443644 1024942205 /nfs/dbraw/zinc/94/22/05/1024942205.db2.gz HULNPYDSIXQRJB-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039242 1024942585 /nfs/dbraw/zinc/94/25/85/1024942585.db2.gz CTOZPTDBZNGOHE-PBHICJAKSA-N 2 1 342.405 3.548 20 0 EHADMP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000115611862 1024945420 /nfs/dbraw/zinc/94/54/20/1024945420.db2.gz RALLCIXWWDEGHD-CYBMUJFWSA-N 2 1 332.394 3.799 20 0 EHADMP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000115611862 1024945436 /nfs/dbraw/zinc/94/54/36/1024945436.db2.gz RALLCIXWWDEGHD-CYBMUJFWSA-N 2 1 332.394 3.799 20 0 EHADMP CCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCc1ccccc1 ZINC000414869257 1024946117 /nfs/dbraw/zinc/94/61/17/1024946117.db2.gz AJMFAWRJIUGDCJ-UHFFFAOYSA-N 2 1 340.467 3.635 20 0 EHADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)(C)C ZINC000511053929 1024975415 /nfs/dbraw/zinc/97/54/15/1024975415.db2.gz HRXGBUCHLYBLOX-BQJUDKOJSA-N 2 1 344.543 3.938 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000157634846 1024976052 /nfs/dbraw/zinc/97/60/52/1024976052.db2.gz CHSRIQPNZVNLDC-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157661293 1025005320 /nfs/dbraw/zinc/00/53/20/1025005320.db2.gz CVJPOTZMWLDBRK-QMIHWGKISA-N 2 1 325.456 3.789 20 0 EHADMP Cc1ccccc1-n1nccc1CNCCC[N@@H+]1CCCC[C@@H]1C ZINC000474465862 1025009159 /nfs/dbraw/zinc/00/91/59/1025009159.db2.gz ACMDXHXYKYDYFR-SFHVURJKSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000474465862 1025009167 /nfs/dbraw/zinc/00/91/67/1025009167.db2.gz ACMDXHXYKYDYFR-SFHVURJKSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000474465862 1025009180 /nfs/dbraw/zinc/00/91/80/1025009180.db2.gz ACMDXHXYKYDYFR-SFHVURJKSA-N 2 1 326.488 3.535 20 0 EHADMP C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435622793 1025038561 /nfs/dbraw/zinc/03/85/61/1025038561.db2.gz SMVBVZSXECTAIC-INIZCTEOSA-N 2 1 348.288 3.571 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000657314464 1025064848 /nfs/dbraw/zinc/06/48/48/1025064848.db2.gz WQFXGLTYDYMWEG-HUUCEWRRSA-N 2 1 349.272 3.912 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000657314464 1025064856 /nfs/dbraw/zinc/06/48/56/1025064856.db2.gz WQFXGLTYDYMWEG-HUUCEWRRSA-N 2 1 349.272 3.912 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000428232520 1025067018 /nfs/dbraw/zinc/06/70/18/1025067018.db2.gz ZVANXAFBYXGXSP-FDFHNCONSA-N 2 1 335.495 3.862 20 0 EHADMP C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000582053899 1025114742 /nfs/dbraw/zinc/11/47/42/1025114742.db2.gz UEGMAOGJWHQVIR-JKLQHZFJSA-N 2 1 344.543 3.675 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000443977576 1025116785 /nfs/dbraw/zinc/11/67/85/1025116785.db2.gz DWSIYGLOYOTUAH-QFBILLFUSA-N 2 1 338.923 3.875 20 0 EHADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966524 1033262452 /nfs/dbraw/zinc/26/24/52/1033262452.db2.gz DHKZVOXGQHJLHO-RXVVDRJESA-N 2 1 335.495 3.799 20 0 EHADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966524 1033262465 /nfs/dbraw/zinc/26/24/65/1033262465.db2.gz DHKZVOXGQHJLHO-RXVVDRJESA-N 2 1 335.495 3.799 20 0 EHADMP CC(C)C[N@H+]1CC[C@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168037427 1025174069 /nfs/dbraw/zinc/17/40/69/1025174069.db2.gz YDVDORLTUDFZQE-ZJOUEHCJSA-N 2 1 343.559 3.748 20 0 EHADMP C[C@@H]1CC([N@H+]2CCCC[C@](C)(O)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039307 1025225000 /nfs/dbraw/zinc/22/50/00/1025225000.db2.gz CVWIZAHJLPJVER-OPYAIIAOSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCCC[C@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039307 1025225006 /nfs/dbraw/zinc/22/50/06/1025225006.db2.gz CVWIZAHJLPJVER-OPYAIIAOSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1CC([N@H+]2CCCC[C@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039307 1025225016 /nfs/dbraw/zinc/22/50/16/1025225016.db2.gz CVWIZAHJLPJVER-OPYAIIAOSA-N 2 1 330.516 3.665 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000453329837 1025350302 /nfs/dbraw/zinc/35/03/02/1025350302.db2.gz WKRLGTMQTYPQHN-BHIFYINESA-N 2 1 338.495 3.973 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000453329837 1025350313 /nfs/dbraw/zinc/35/03/13/1025350313.db2.gz WKRLGTMQTYPQHN-BHIFYINESA-N 2 1 338.495 3.973 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442711911 1025436428 /nfs/dbraw/zinc/43/64/28/1025436428.db2.gz FQSJIIAJWWFEKG-FGTMMUONSA-N 2 1 339.527 3.983 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@H](C)C1 ZINC000442784376 1025475052 /nfs/dbraw/zinc/47/50/52/1025475052.db2.gz VTTMQTCIRYYAOK-VXLLPVPCSA-N 2 1 332.479 3.537 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)c1 ZINC000121554808 1025501055 /nfs/dbraw/zinc/50/10/55/1025501055.db2.gz GUEIGCAIAMYVBJ-LULLPPNCSA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)c1 ZINC000121554808 1025501068 /nfs/dbraw/zinc/50/10/68/1025501068.db2.gz GUEIGCAIAMYVBJ-LULLPPNCSA-N 2 1 346.540 3.507 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000474812891 1025521333 /nfs/dbraw/zinc/52/13/33/1025521333.db2.gz FVNOIWLXGDWPEW-UHFFFAOYSA-N 2 1 328.504 3.779 20 0 EHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000474814866 1025523516 /nfs/dbraw/zinc/52/35/16/1025523516.db2.gz HAYNNFFRAPABHI-IIMDRIAPSA-N 2 1 330.516 3.548 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1(C)C ZINC000442860143 1025532214 /nfs/dbraw/zinc/53/22/14/1025532214.db2.gz BGCQACSLXBFCBR-HXUWFJFHSA-N 2 1 347.522 3.673 20 0 EHADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665299036 1025537867 /nfs/dbraw/zinc/53/78/67/1025537867.db2.gz FGUAASPWUFCWHL-CWRNSKLLSA-N 2 1 327.394 3.501 20 0 EHADMP C[C@@H]1CC([N@@H+]2CC(C)(C)C[C@]2(C)CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042395 1025551939 /nfs/dbraw/zinc/55/19/39/1025551939.db2.gz ZLNURCWMTVVKBL-JBYIUTFZSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1CC([N@H+]2CC(C)(C)C[C@]2(C)CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042395 1025551947 /nfs/dbraw/zinc/55/19/47/1025551947.db2.gz ZLNURCWMTVVKBL-JBYIUTFZSA-N 2 1 344.543 3.911 20 0 EHADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000521695002 1025596443 /nfs/dbraw/zinc/59/64/43/1025596443.db2.gz GYHFOFJQFCXGIW-DYESRHJHSA-N 2 1 328.500 3.601 20 0 EHADMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347183396 1025627823 /nfs/dbraw/zinc/62/78/23/1025627823.db2.gz WWERYRASHJBLMH-GOSISDBHSA-N 2 1 334.504 3.552 20 0 EHADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OCC(C)C ZINC000347183396 1025627838 /nfs/dbraw/zinc/62/78/38/1025627838.db2.gz WWERYRASHJBLMH-GOSISDBHSA-N 2 1 334.504 3.552 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014915 1025634913 /nfs/dbraw/zinc/63/49/13/1025634913.db2.gz NHHLZVKFSRCOBF-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@H+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014915 1025634917 /nfs/dbraw/zinc/63/49/17/1025634917.db2.gz NHHLZVKFSRCOBF-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014915 1025634927 /nfs/dbraw/zinc/63/49/27/1025634927.db2.gz NHHLZVKFSRCOBF-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443079095 1025705615 /nfs/dbraw/zinc/70/56/15/1025705615.db2.gz YQPHSPKNQZCRLB-CHWSQXEVSA-N 2 1 334.851 3.512 20 0 EHADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000657386545 1025775570 /nfs/dbraw/zinc/77/55/70/1025775570.db2.gz HYLHUURYQPIHKP-KRWDZBQOSA-N 2 1 346.515 3.597 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OCC ZINC000522011192 1025871973 /nfs/dbraw/zinc/87/19/73/1025871973.db2.gz SQDHMOMFBHUCKX-HNNXBMFYSA-N 2 1 331.460 3.501 20 0 EHADMP CC(C)CCn1cccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121810090 1025885671 /nfs/dbraw/zinc/88/56/71/1025885671.db2.gz KUJVWZFZAIDGDZ-UHFFFAOYSA-N 2 1 328.504 3.722 20 0 EHADMP CCCO[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168053086 1026008435 /nfs/dbraw/zinc/00/84/35/1026008435.db2.gz MOTGWBDCYPQKRC-BBTUJRGHSA-N 2 1 330.516 3.929 20 0 EHADMP CC1CC[NH+](CCc2cccc(NCc3c[nH+]c4n3CCC4)c2)CC1 ZINC000657423248 1026191301 /nfs/dbraw/zinc/19/13/01/1026191301.db2.gz CGFTZDKPBAUPQQ-UHFFFAOYSA-N 2 1 338.499 3.716 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000582449548 1026288644 /nfs/dbraw/zinc/28/86/44/1026288644.db2.gz HDZPOOVHSJQKMA-SLFFLAALSA-N 2 1 330.516 3.549 20 0 EHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000657439437 1026363127 /nfs/dbraw/zinc/36/31/27/1026363127.db2.gz GGRSFVYHNKIIOZ-UHFFFAOYSA-N 2 1 346.441 3.573 20 0 EHADMP CC[NH+](CC)CCN(Cc1ccccc1)Cc1cc(OC)cc(C)[nH+]1 ZINC001167589668 1026761394 /nfs/dbraw/zinc/76/13/94/1026761394.db2.gz HLMYPTWLOQEGKY-UHFFFAOYSA-N 2 1 341.499 3.743 20 0 EHADMP CC(C)[N@H+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC001168066489 1026900948 /nfs/dbraw/zinc/90/09/48/1026900948.db2.gz OZAUSNSUCDJXFP-AQNXPRMDSA-N 2 1 343.559 3.843 20 0 EHADMP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000657532297 1027000550 /nfs/dbraw/zinc/00/05/50/1027000550.db2.gz GMTLQYWGJUAHMO-GOSISDBHSA-N 2 1 325.500 3.933 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000075007656 1027096409 /nfs/dbraw/zinc/09/64/09/1027096409.db2.gz VYCCRMONMAJIGA-UHFFFAOYSA-N 2 1 342.886 3.802 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000075007791 1027096942 /nfs/dbraw/zinc/09/69/42/1027096942.db2.gz OCMAEZATQXIIKQ-UHFFFAOYSA-N 2 1 342.886 3.802 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000272784944 1027113775 /nfs/dbraw/zinc/11/37/75/1027113775.db2.gz JBAVAYLQPMACRS-UHFFFAOYSA-N 2 1 336.483 3.774 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)cc1 ZINC000272789080 1027117074 /nfs/dbraw/zinc/11/70/74/1027117074.db2.gz PLOSSTRPDXIAFB-UHFFFAOYSA-N 2 1 336.483 3.774 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803915 1027128556 /nfs/dbraw/zinc/12/85/56/1027128556.db2.gz RKGFPDOHODCZTE-SJLPKXTDSA-N 2 1 332.488 3.619 20 0 EHADMP CCc1cnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000075685588 1027193918 /nfs/dbraw/zinc/19/39/18/1027193918.db2.gz IYSCQUNXFJCLSD-UHFFFAOYSA-N 2 1 327.472 3.581 20 0 EHADMP CCc1cnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000075685588 1027193934 /nfs/dbraw/zinc/19/39/34/1027193934.db2.gz IYSCQUNXFJCLSD-UHFFFAOYSA-N 2 1 327.472 3.581 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000531701135 1027221710 /nfs/dbraw/zinc/22/17/10/1027221710.db2.gz XXNBMYVMMISAII-NPDDRXJXSA-N 2 1 343.559 3.778 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000897471120 1027223134 /nfs/dbraw/zinc/22/31/34/1027223134.db2.gz KVJHOFLDDBJPCE-DVOMOZLQSA-N 2 1 325.294 3.625 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000513712771 1027223847 /nfs/dbraw/zinc/22/38/47/1027223847.db2.gz FMQLLZUMZRAMKG-VABKMULXSA-N 2 1 349.522 3.905 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000657561926 1027299303 /nfs/dbraw/zinc/29/93/03/1027299303.db2.gz DQRMRRMEAVZABP-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561926 1027299315 /nfs/dbraw/zinc/29/93/15/1027299315.db2.gz DQRMRRMEAVZABP-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561926 1027299327 /nfs/dbraw/zinc/29/93/27/1027299327.db2.gz DQRMRRMEAVZABP-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1cc[nH+]c2cc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)ccc12 ZINC001167943600 1027356344 /nfs/dbraw/zinc/35/63/44/1027356344.db2.gz PURXGGWWJCZNKJ-KRWDZBQOSA-N 2 1 343.471 3.794 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000453094451 1027356785 /nfs/dbraw/zinc/35/67/85/1027356785.db2.gz RYABVFMSBGXLNI-MRXNPFEDSA-N 2 1 330.497 3.740 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nccs1 ZINC000273409249 1027414221 /nfs/dbraw/zinc/41/42/21/1027414221.db2.gz HNOLZWXFYQNQOO-RYRKJORJSA-N 2 1 329.513 3.889 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccncc3)[C@H]3CCC[C@H]32)cc1 ZINC000453150488 1027419330 /nfs/dbraw/zinc/41/93/30/1027419330.db2.gz SEADRFGOIUTKDL-BHIFYINESA-N 2 1 335.495 3.657 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420303760 1027453463 /nfs/dbraw/zinc/45/34/63/1027453463.db2.gz DIOGIAFFKVUQKC-PWRODBHTSA-N 2 1 330.516 3.618 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319051 1027467214 /nfs/dbraw/zinc/46/72/14/1027467214.db2.gz OUMHDEMKWLLZPE-WHSLLNHNSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319051 1027467217 /nfs/dbraw/zinc/46/72/17/1027467217.db2.gz OUMHDEMKWLLZPE-WHSLLNHNSA-N 2 1 347.462 3.761 20 0 EHADMP Clc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420339997 1027472942 /nfs/dbraw/zinc/47/29/42/1027472942.db2.gz MIOJDACNTUWHCU-CVEARBPZSA-N 2 1 345.874 3.817 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000420325667 1027480251 /nfs/dbraw/zinc/48/02/51/1027480251.db2.gz WNPRFIRNPPUJPG-FXAWDEMLSA-N 2 1 328.431 3.714 20 0 EHADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453173004 1027492249 /nfs/dbraw/zinc/49/22/49/1027492249.db2.gz YFNGLBIQLZAMOI-HBMCJLEFSA-N 2 1 342.527 3.572 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000582790286 1027731478 /nfs/dbraw/zinc/73/14/78/1027731478.db2.gz VTXCKIOFDAMHAQ-ANULTFPQSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000582790286 1027731508 /nfs/dbraw/zinc/73/15/08/1027731508.db2.gz VTXCKIOFDAMHAQ-ANULTFPQSA-N 2 1 330.516 3.863 20 0 EHADMP C[C@H](NC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000422760339 1027901677 /nfs/dbraw/zinc/90/16/77/1027901677.db2.gz KWNNWCVRRZQWFZ-CMKODMSKSA-N 2 1 329.532 3.628 20 0 EHADMP C[C@H]([NH2+]CCCOc1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000422775618 1027931754 /nfs/dbraw/zinc/93/17/54/1027931754.db2.gz ASLOVSQRJGGSBZ-NSHDSACASA-N 2 1 340.254 3.921 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000420982887 1027941545 /nfs/dbraw/zinc/94/15/45/1027941545.db2.gz PRLDMQMILANQQO-WOJBJXKFSA-N 2 1 335.580 3.695 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000420982881 1027942621 /nfs/dbraw/zinc/94/26/21/1027942621.db2.gz PRLDMQMILANQQO-PMACEKPBSA-N 2 1 335.580 3.695 20 0 EHADMP CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422880590 1028012173 /nfs/dbraw/zinc/01/21/73/1028012173.db2.gz WYUDERZHQAMCNN-BEFAXECRSA-N 2 1 325.456 3.555 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[NH2+]1 ZINC000422963550 1028076298 /nfs/dbraw/zinc/07/62/98/1028076298.db2.gz GGOBNUPGPPBRII-HTAPYJJXSA-N 3 1 337.511 3.645 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000502288107 1028086927 /nfs/dbraw/zinc/08/69/27/1028086927.db2.gz PFJCIVHSJUZVSD-ZWKOTPCHSA-N 2 1 348.531 3.653 20 0 EHADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000120773357 1028141371 /nfs/dbraw/zinc/14/13/71/1028141371.db2.gz MLNPCPSTGKDYIS-HJPURHCSSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000120773357 1028141374 /nfs/dbraw/zinc/14/13/74/1028141374.db2.gz MLNPCPSTGKDYIS-HJPURHCSSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000120773357 1028141389 /nfs/dbraw/zinc/14/13/89/1028141389.db2.gz MLNPCPSTGKDYIS-HJPURHCSSA-N 2 1 336.545 3.729 20 0 EHADMP COCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000502366553 1028146354 /nfs/dbraw/zinc/14/63/54/1028146354.db2.gz AWWKYRBQPANSDS-PWRODBHTSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000503863239 1028174379 /nfs/dbraw/zinc/17/43/79/1028174379.db2.gz ZORDPIGMPULEQP-CSMYWGQOSA-N 2 1 335.398 3.992 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccsc1Br ZINC000423115635 1028187863 /nfs/dbraw/zinc/18/78/63/1028187863.db2.gz NXPDJALGFQMDFL-VIFPVBQESA-N 2 1 340.290 3.524 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)c2ccccc21 ZINC000423120204 1028190915 /nfs/dbraw/zinc/19/09/15/1028190915.db2.gz FXYLBOBSUPDZFK-QHAWAJNXSA-N 2 1 334.463 3.815 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423146849 1028209231 /nfs/dbraw/zinc/20/92/31/1028209231.db2.gz BITJIFUWXCMWEK-DBOLQNLKSA-N 2 1 346.515 3.529 20 0 EHADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423149280 1028209343 /nfs/dbraw/zinc/20/93/43/1028209343.db2.gz AJZXIKIZCAMCIW-RBSFLKMASA-N 2 1 327.394 3.501 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423146851 1028209941 /nfs/dbraw/zinc/20/99/41/1028209941.db2.gz BITJIFUWXCMWEK-RCOXNQKVSA-N 2 1 346.515 3.529 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181912 1028251698 /nfs/dbraw/zinc/25/16/98/1028251698.db2.gz DHWLYCDJDNBNCP-AWEZNQCLSA-N 2 1 346.544 3.975 20 0 EHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423189410 1028258974 /nfs/dbraw/zinc/25/89/74/1028258974.db2.gz QYMWZWFPXFANBM-SNHSJHQUSA-N 2 1 342.527 3.706 20 0 EHADMP C[C@@H](NCC1([NH3+])CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423198446 1028267139 /nfs/dbraw/zinc/26/71/39/1028267139.db2.gz FWTLVTCJNQCOJS-QUCCMNQESA-N 2 1 329.532 3.538 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423200064 1028270519 /nfs/dbraw/zinc/27/05/19/1028270519.db2.gz LPBKFGROMYQGHR-AZUAARDMSA-N 2 1 329.532 3.538 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000423283444 1028323872 /nfs/dbraw/zinc/32/38/72/1028323872.db2.gz WEGXHMVYMRZPNT-HOTGVXAUSA-N 2 1 348.288 3.635 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C(C)=C\c3ccccc3)CC2)CC1 ZINC000421368773 1028327471 /nfs/dbraw/zinc/32/74/71/1028327471.db2.gz GKPMHASGEOECFP-ZZEZOPTASA-N 2 1 341.543 3.582 20 0 EHADMP CN(C)Cc1cnc(C[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)s1 ZINC000421404919 1028390675 /nfs/dbraw/zinc/39/06/75/1028390675.db2.gz ZPVHFYIWEZYVHN-KRWDZBQOSA-N 2 1 329.513 3.973 20 0 EHADMP CSC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423388801 1028403015 /nfs/dbraw/zinc/40/30/15/1028403015.db2.gz IXXWPWGITAIOGM-GLQYFDAESA-N 2 1 332.435 3.697 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)[C@H]1Sc1ccccc1 ZINC000459379789 1028409545 /nfs/dbraw/zinc/40/95/45/1028409545.db2.gz ARIVXVYZFUIBJU-GUDVDZBRSA-N 2 1 345.512 3.510 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000423374967 1028412831 /nfs/dbraw/zinc/41/28/31/1028412831.db2.gz KHVYEWSZYRYSRP-SOLBZPMBSA-N 2 1 326.488 3.589 20 0 EHADMP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccc(F)cc2)cc1 ZINC000423403958 1028423167 /nfs/dbraw/zinc/42/31/67/1028423167.db2.gz SIVXWCYBFKHEIG-JSNMRZPZSA-N 2 1 328.431 3.511 20 0 EHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505910 1028469342 /nfs/dbraw/zinc/46/93/42/1028469342.db2.gz IBTCUAZEMNPLEY-WWDZGPRUSA-N 2 1 341.499 3.608 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCS2 ZINC000423524385 1028498874 /nfs/dbraw/zinc/49/88/74/1028498874.db2.gz JHGVKDUEKDLESE-CQSZACIVSA-N 2 1 341.318 3.718 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238763 1028504134 /nfs/dbraw/zinc/50/41/34/1028504134.db2.gz OOKKAJFGRBMTPE-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238763 1028504147 /nfs/dbraw/zinc/50/41/47/1028504147.db2.gz OOKKAJFGRBMTPE-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839739 1028698848 /nfs/dbraw/zinc/69/88/48/1028698848.db2.gz RWEOXLCJNQSQOA-UKRRQHHQSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839739 1028698858 /nfs/dbraw/zinc/69/88/58/1028698858.db2.gz RWEOXLCJNQSQOA-UKRRQHHQSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839739 1028698864 /nfs/dbraw/zinc/69/88/64/1028698864.db2.gz RWEOXLCJNQSQOA-UKRRQHHQSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839739 1028698872 /nfs/dbraw/zinc/69/88/72/1028698872.db2.gz RWEOXLCJNQSQOA-UKRRQHHQSA-N 2 1 333.526 3.788 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCCC(C)C ZINC000414768192 1028710161 /nfs/dbraw/zinc/71/01/61/1028710161.db2.gz LIMPXJBOKWPNNJ-KDURUIRLSA-N 2 1 346.515 3.552 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000247014443 1028726074 /nfs/dbraw/zinc/72/60/74/1028726074.db2.gz MKXYQIZZFPTNAP-QZTJIDSGSA-N 3 1 326.488 3.643 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000247045779 1028736752 /nfs/dbraw/zinc/73/67/52/1028736752.db2.gz MYJMRROPDYPLKB-IAGOWNOFSA-N 2 1 331.504 3.950 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccncc3Cl)CC2)[nH+]1 ZINC000421835637 1028827995 /nfs/dbraw/zinc/82/79/95/1028827995.db2.gz QDQVYSDRHOJXLE-AWEZNQCLSA-N 2 1 330.863 3.758 20 0 EHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000421861962 1028855072 /nfs/dbraw/zinc/85/50/72/1028855072.db2.gz WQVUWZDMFZOGJW-GJZGRUSLSA-N 2 1 340.895 3.500 20 0 EHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000421861962 1028855088 /nfs/dbraw/zinc/85/50/88/1028855088.db2.gz WQVUWZDMFZOGJW-GJZGRUSLSA-N 2 1 340.895 3.500 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1F ZINC000248402026 1028895466 /nfs/dbraw/zinc/89/54/66/1028895466.db2.gz UDDKVYSMTQXNDI-YOEHRIQHSA-N 2 1 342.886 3.757 20 0 EHADMP c1csc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000424267589 1028924631 /nfs/dbraw/zinc/92/46/31/1028924631.db2.gz MQJHGJKVWFCQJJ-SQNIBIBYSA-N 2 1 327.497 3.643 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000514693500 1028930747 /nfs/dbraw/zinc/93/07/47/1028930747.db2.gz OQNKFPKGRLMKHV-IAGOWNOFSA-N 2 1 325.500 3.654 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1c(F)cccc1Br)CC[NH2+]CC2 ZINC000424301668 1028940532 /nfs/dbraw/zinc/94/05/32/1028940532.db2.gz XZIZLHKRKHMKHA-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000245660139 1028984664 /nfs/dbraw/zinc/98/46/64/1028984664.db2.gz FJTWNIKHKOQWCL-JRSUCEMESA-N 2 1 328.500 3.729 20 0 EHADMP Cc1ccc(-c2cnc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000424301971 1028986088 /nfs/dbraw/zinc/98/60/88/1028986088.db2.gz YNWVVJMPUGXVSA-MRXNPFEDSA-N 2 1 325.456 3.614 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(-c3cccs3)s1)CC[NH2+]CC2 ZINC000424379761 1029037456 /nfs/dbraw/zinc/03/74/56/1029037456.db2.gz PATPFIXOAOLGNG-CYBMUJFWSA-N 2 1 333.526 3.836 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1cc(C)ccc1C ZINC000424382096 1029040219 /nfs/dbraw/zinc/04/02/19/1029040219.db2.gz ZSEBUZJSEYYYQO-ATZDWAIDSA-N 2 1 326.488 3.718 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc(Cl)c1OC ZINC000245720395 1029132459 /nfs/dbraw/zinc/13/24/59/1029132459.db2.gz HVQYTZGFWRWVKJ-DZGCQCFKSA-N 2 1 340.895 3.662 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414804959 1029224418 /nfs/dbraw/zinc/22/44/18/1029224418.db2.gz FUGQKBXWPZLTHB-UHFFFAOYSA-N 2 1 349.482 3.541 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@@H](C)C1 ZINC000245794762 1029310053 /nfs/dbraw/zinc/31/00/53/1029310053.db2.gz WTJQACIAHYSPCY-GUYCJALGSA-N 2 1 348.441 3.517 20 0 EHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245946089 1029502910 /nfs/dbraw/zinc/50/29/10/1029502910.db2.gz WRNKQJKELAMFDS-MOPGFXCFSA-N 2 1 335.923 3.503 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538807 1029503869 /nfs/dbraw/zinc/50/38/69/1029503869.db2.gz CFNOGGWZVDIJPT-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272538807 1029503877 /nfs/dbraw/zinc/50/38/77/1029503877.db2.gz CFNOGGWZVDIJPT-PZJWPPBQSA-N 3 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538807 1029503884 /nfs/dbraw/zinc/50/38/84/1029503884.db2.gz CFNOGGWZVDIJPT-PZJWPPBQSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246021047 1029577365 /nfs/dbraw/zinc/57/73/65/1029577365.db2.gz UZAVVFCLWBOAGX-RTBURBONSA-N 2 1 340.515 3.826 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246021040 1029577562 /nfs/dbraw/zinc/57/75/62/1029577562.db2.gz UZAVVFCLWBOAGX-MOPGFXCFSA-N 2 1 340.515 3.826 20 0 EHADMP CCC(CC)[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508711871 1029787624 /nfs/dbraw/zinc/78/76/24/1029787624.db2.gz BNLIYNKOKFCHFW-COPCDDAFSA-N 2 1 345.575 3.853 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1(C)C ZINC000623376400 1029795370 /nfs/dbraw/zinc/79/53/70/1029795370.db2.gz RXSUASZNFJLWTC-MRXNPFEDSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1(C)C ZINC000623376400 1029795373 /nfs/dbraw/zinc/79/53/73/1029795373.db2.gz RXSUASZNFJLWTC-MRXNPFEDSA-N 2 1 343.446 3.975 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261837964 1029839455 /nfs/dbraw/zinc/83/94/55/1029839455.db2.gz YKDFPICBYDINBO-HNNXBMFYSA-N 2 1 344.833 3.905 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921544 1029854876 /nfs/dbraw/zinc/85/48/76/1029854876.db2.gz SKFHIDUWZSSIAI-UWVAXJGDSA-N 2 1 338.499 3.736 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525694115 1030038362 /nfs/dbraw/zinc/03/83/62/1030038362.db2.gz VYHNJMFNSKEJAJ-FGTMMUONSA-N 2 1 335.561 3.595 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000120636146 1030053010 /nfs/dbraw/zinc/05/30/10/1030053010.db2.gz YCUJZMPORSGYPN-GXTWGEPZSA-N 2 1 331.287 3.835 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H]1CC[NH3+] ZINC000650711386 1030060691 /nfs/dbraw/zinc/06/06/91/1030060691.db2.gz RVCNTIYXWBOYMU-UWJYYQICSA-N 2 1 339.483 3.610 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000120723745 1030076928 /nfs/dbraw/zinc/07/69/28/1030076928.db2.gz BKQMWQIDSGFDGM-CBQOVEMMSA-N 2 1 344.543 3.833 20 0 EHADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453321172 1030100609 /nfs/dbraw/zinc/10/06/09/1030100609.db2.gz NWGVFPLCUMYRPH-GSEOLPGOSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453321174 1030100879 /nfs/dbraw/zinc/10/08/79/1030100879.db2.gz NWGVFPLCUMYRPH-VBSBHUPXSA-N 2 1 330.516 3.569 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)CCCO2 ZINC000090586591 1030148842 /nfs/dbraw/zinc/14/88/42/1030148842.db2.gz NPTNHKPSFWYECF-YLJYHZDGSA-N 2 1 346.515 3.867 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)CCCO2 ZINC000090586591 1030148851 /nfs/dbraw/zinc/14/88/51/1030148851.db2.gz NPTNHKPSFWYECF-YLJYHZDGSA-N 2 1 346.515 3.867 20 0 EHADMP CCCc1ncc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000453356995 1030151726 /nfs/dbraw/zinc/15/17/26/1030151726.db2.gz DOXXHEBEXWJGHI-LDLYASANSA-N 2 1 339.483 3.912 20 0 EHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163222295 1030172252 /nfs/dbraw/zinc/17/22/52/1030172252.db2.gz WXTFCPJVHHBLPL-LSTHTHJFSA-N 2 1 326.488 3.514 20 0 EHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163222295 1030172260 /nfs/dbraw/zinc/17/22/60/1030172260.db2.gz WXTFCPJVHHBLPL-LSTHTHJFSA-N 2 1 326.488 3.514 20 0 EHADMP Fc1cccc(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1F ZINC000453362286 1030175875 /nfs/dbraw/zinc/17/58/75/1030175875.db2.gz NTMALFDZHNPFOW-ZWKOTPCHSA-N 2 1 334.454 3.846 20 0 EHADMP Cn1ccnc1[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000453401002 1030211235 /nfs/dbraw/zinc/21/12/35/1030211235.db2.gz MNPGLQVSKRBKGL-SFHVURJKSA-N 2 1 346.906 3.627 20 0 EHADMP CC[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000531991669 1030236215 /nfs/dbraw/zinc/23/62/15/1030236215.db2.gz NHAUGMFUFLDZTF-GKJHBJHPSA-N 2 1 344.543 3.938 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636178 1030254607 /nfs/dbraw/zinc/25/46/07/1030254607.db2.gz QCSLPJGBHUPBCZ-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636178 1030254620 /nfs/dbraw/zinc/25/46/20/1030254620.db2.gz QCSLPJGBHUPBCZ-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636178 1030254637 /nfs/dbraw/zinc/25/46/37/1030254637.db2.gz QCSLPJGBHUPBCZ-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636178 1030254652 /nfs/dbraw/zinc/25/46/52/1030254652.db2.gz QCSLPJGBHUPBCZ-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP C[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000159603041 1030285887 /nfs/dbraw/zinc/28/58/87/1030285887.db2.gz JUTQVQDUOZBAEN-FUHWJXTLSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000159603041 1030285910 /nfs/dbraw/zinc/28/59/10/1030285910.db2.gz JUTQVQDUOZBAEN-FUHWJXTLSA-N 2 1 329.532 3.548 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1c(F)ccc(Br)c1F)C1CC1 ZINC000453590072 1030380857 /nfs/dbraw/zinc/38/08/57/1030380857.db2.gz AFPDTMMQHNXOOQ-UHFFFAOYSA-N 2 1 347.247 3.691 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1c(F)cccc1Br)C1CC1 ZINC000453600304 1030387653 /nfs/dbraw/zinc/38/76/53/1030387653.db2.gz SRNQNTDCOFYLRZ-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482461426 1030447048 /nfs/dbraw/zinc/44/70/48/1030447048.db2.gz RUEWVTNANIWAAW-GCJKJVERSA-N 2 1 338.470 3.967 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000447892995 1030573001 /nfs/dbraw/zinc/57/30/01/1030573001.db2.gz KSEKVHPGFOFCAM-UHFFFAOYSA-N 2 1 338.499 3.617 20 0 EHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c(F)c1 ZINC000650752968 1030688498 /nfs/dbraw/zinc/68/84/98/1030688498.db2.gz DHLCZDKDCAXFNM-QGZVFWFLSA-N 2 1 334.822 3.941 20 0 EHADMP CC[C@@]1(C)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000537647257 1030756098 /nfs/dbraw/zinc/75/60/98/1030756098.db2.gz KGPIVIUGWWERPV-NRFANRHFSA-N 2 1 329.532 3.839 20 0 EHADMP Cn1ccc([C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccc(F)cc2)n1 ZINC000550882679 1030756562 /nfs/dbraw/zinc/75/65/62/1030756562.db2.gz RBISNRSCKRXMNX-HXUWFJFHSA-N 2 1 344.478 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000550895985 1030779066 /nfs/dbraw/zinc/77/90/66/1030779066.db2.gz SLEDLWOKHBHXJP-QIJUGHKUSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615421 1030808321 /nfs/dbraw/zinc/80/83/21/1030808321.db2.gz RFKVQGLAMPIKPV-VCBZYWHSSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615421 1030808344 /nfs/dbraw/zinc/80/83/44/1030808344.db2.gz RFKVQGLAMPIKPV-VCBZYWHSSA-N 2 1 343.446 3.831 20 0 EHADMP C[N@H+]1CC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550997488 1030874224 /nfs/dbraw/zinc/87/42/24/1030874224.db2.gz YZQMXGJQEQFCIH-HKUYNNGSSA-N 2 1 329.532 3.721 20 0 EHADMP CN1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550997488 1030874241 /nfs/dbraw/zinc/87/42/41/1030874241.db2.gz YZQMXGJQEQFCIH-HKUYNNGSSA-N 2 1 329.532 3.721 20 0 EHADMP c1cc(CN2CC3(CCC3)[C@@H]2c2ccccc2)n(-c2ccncc2)n1 ZINC000668192226 1030910314 /nfs/dbraw/zinc/91/03/14/1030910314.db2.gz XRVZDVNDRMEZFV-FQEVSTJZSA-N 2 1 330.435 3.995 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094152 1030985171 /nfs/dbraw/zinc/98/51/71/1030985171.db2.gz SCAIERHJYPMIHY-UONOGXRCSA-N 2 1 342.405 3.523 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000483169730 1031021781 /nfs/dbraw/zinc/02/17/81/1031021781.db2.gz CIEFYBVVMGOJJS-UHFFFAOYSA-N 2 1 346.563 3.870 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000551083808 1031024890 /nfs/dbraw/zinc/02/48/90/1031024890.db2.gz MINUEIKUKQAEAQ-AFXVXQJMSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000551083808 1031024911 /nfs/dbraw/zinc/02/49/11/1031024911.db2.gz MINUEIKUKQAEAQ-AFXVXQJMSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000551083808 1031024928 /nfs/dbraw/zinc/02/49/28/1031024928.db2.gz MINUEIKUKQAEAQ-AFXVXQJMSA-N 2 1 349.522 3.857 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000551087084 1031031040 /nfs/dbraw/zinc/03/10/40/1031031040.db2.gz MCSDLVXHCUXIEY-NJDAHSKKSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551087084 1031031055 /nfs/dbraw/zinc/03/10/55/1031031055.db2.gz MCSDLVXHCUXIEY-NJDAHSKKSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551087084 1031031071 /nfs/dbraw/zinc/03/10/71/1031031071.db2.gz MCSDLVXHCUXIEY-NJDAHSKKSA-N 2 1 329.532 3.532 20 0 EHADMP CCOc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(F)cc1OC ZINC000527632676 1031062115 /nfs/dbraw/zinc/06/21/15/1031062115.db2.gz UFVBZOBDRMAWRL-UHFFFAOYSA-N 2 1 338.467 3.632 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000278489061 1031068971 /nfs/dbraw/zinc/06/89/71/1031068971.db2.gz BGYUUZVKYSGCAD-CABCVRRESA-N 2 1 331.485 3.740 20 0 EHADMP COC1(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267129 1031077109 /nfs/dbraw/zinc/07/71/09/1031077109.db2.gz BDVOHRIBHZINHD-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267129 1031077062 /nfs/dbraw/zinc/07/70/62/1031077062.db2.gz BDVOHRIBHZINHD-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267129 1031077079 /nfs/dbraw/zinc/07/70/79/1031077079.db2.gz BDVOHRIBHZINHD-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267129 1031077093 /nfs/dbraw/zinc/07/70/93/1031077093.db2.gz BDVOHRIBHZINHD-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](CNCc2ccc(Br)c(F)c2F)C1 ZINC000527649996 1031080953 /nfs/dbraw/zinc/08/09/53/1031080953.db2.gz RXWSJKDXTBFFBL-NSHDSACASA-N 2 1 347.247 3.547 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@@H+]1C ZINC000483743163 1031310948 /nfs/dbraw/zinc/31/09/48/1031310948.db2.gz MXXNHZHRAAXWPE-SIVJFFJCSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@H+]1C ZINC000483743163 1031310967 /nfs/dbraw/zinc/31/09/67/1031310967.db2.gz MXXNHZHRAAXWPE-SIVJFFJCSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CC12CC2 ZINC000527847124 1031362546 /nfs/dbraw/zinc/36/25/46/1031362546.db2.gz LRZISWGVGBISHR-AXVVYFOYSA-N 2 1 328.500 3.574 20 0 EHADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483844867 1031374124 /nfs/dbraw/zinc/37/41/24/1031374124.db2.gz AEDHRZCYCCYDBG-CEWLAPEOSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000343560104 1031387681 /nfs/dbraw/zinc/38/76/81/1031387681.db2.gz WTZAIXPGDGVXMO-AWEZNQCLSA-N 2 1 346.500 3.667 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484137692 1031477400 /nfs/dbraw/zinc/47/74/00/1031477400.db2.gz DWZNAKRKYZQFEN-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484137692 1031477414 /nfs/dbraw/zinc/47/74/14/1031477414.db2.gz DWZNAKRKYZQFEN-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000158647728 1031513391 /nfs/dbraw/zinc/51/33/91/1031513391.db2.gz WHQAJLOEEFJHRY-ULQDDVLXSA-N 2 1 331.504 3.664 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527982267 1031518961 /nfs/dbraw/zinc/51/89/61/1031518961.db2.gz RYVMFQWFEBBUNY-FTGAXOIBSA-N 2 1 347.247 3.546 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000584053099 1031594778 /nfs/dbraw/zinc/59/47/78/1031594778.db2.gz WQOQYJSVLDJPKW-VPVJOJIASA-N 2 1 336.479 3.950 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@H]4CCCCO4)C3)C2)cc1 ZINC000347412373 1031641871 /nfs/dbraw/zinc/64/18/71/1031641871.db2.gz AFHAMNSZBJSDRS-FGZHOGPDSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCCCO4)C3)C2)cc1 ZINC000347412373 1031641882 /nfs/dbraw/zinc/64/18/82/1031641882.db2.gz AFHAMNSZBJSDRS-FGZHOGPDSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCCCO4)C3)C2)cc1 ZINC000347412373 1031641891 /nfs/dbraw/zinc/64/18/91/1031641891.db2.gz AFHAMNSZBJSDRS-FGZHOGPDSA-N 2 1 342.527 3.934 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179389739 1031746009 /nfs/dbraw/zinc/74/60/09/1031746009.db2.gz PWBJTJKTVSYBEH-UHFFFAOYSA-N 2 1 348.494 3.678 20 0 EHADMP Cc1ccc(-c2noc(CN3CCC(C[N@H+](C)C(C)C)CC3)n2)cc1 ZINC000551908449 1031764770 /nfs/dbraw/zinc/76/47/70/1031764770.db2.gz UMUAQHBPLFCZQZ-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP Cc1ccc(-c2noc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)n2)cc1 ZINC000551908449 1031764788 /nfs/dbraw/zinc/76/47/88/1031764788.db2.gz UMUAQHBPLFCZQZ-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP Cc1ccc(-c2noc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)cc1 ZINC000551908449 1031764805 /nfs/dbraw/zinc/76/48/05/1031764805.db2.gz UMUAQHBPLFCZQZ-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP Cc1ccc(CCC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000584144880 1031809540 /nfs/dbraw/zinc/80/95/40/1031809540.db2.gz SQQNZXCJLWOXMV-PKTZIBPZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000584144880 1031809548 /nfs/dbraw/zinc/80/95/48/1031809548.db2.gz SQQNZXCJLWOXMV-PKTZIBPZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000584144880 1031809560 /nfs/dbraw/zinc/80/95/60/1031809560.db2.gz SQQNZXCJLWOXMV-PKTZIBPZSA-N 2 1 349.522 3.777 20 0 EHADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000180363421 1031844387 /nfs/dbraw/zinc/84/43/87/1031844387.db2.gz CMPVENLRAJWQRA-KRWDZBQOSA-N 2 1 344.528 3.599 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000180363421 1031844400 /nfs/dbraw/zinc/84/44/00/1031844400.db2.gz CMPVENLRAJWQRA-KRWDZBQOSA-N 2 1 344.528 3.599 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000180406858 1031849889 /nfs/dbraw/zinc/84/98/89/1031849889.db2.gz NMINWTKPOLHZBK-HXUWFJFHSA-N 2 1 328.500 3.851 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)cc1CC ZINC000584259539 1032020367 /nfs/dbraw/zinc/02/03/67/1032020367.db2.gz RAZUVFLOXFLJPO-UHFFFAOYSA-N 2 1 329.488 3.929 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)cc1CC ZINC000584259539 1032020383 /nfs/dbraw/zinc/02/03/83/1032020383.db2.gz RAZUVFLOXFLJPO-UHFFFAOYSA-N 2 1 329.488 3.929 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000459401667 1032041259 /nfs/dbraw/zinc/04/12/59/1032041259.db2.gz DZBVACIVCURSKY-IBGZPJMESA-N 2 1 340.858 3.585 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@H]1SC ZINC000459404578 1032046420 /nfs/dbraw/zinc/04/64/20/1032046420.db2.gz DMSFIWFVFZNOES-KCUHQSDYSA-N 2 1 348.556 3.711 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412293 1033296866 /nfs/dbraw/zinc/29/68/66/1033296866.db2.gz DCIVJNYXTNWIBD-IRXDYDNUSA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412293 1033296877 /nfs/dbraw/zinc/29/68/77/1033296877.db2.gz DCIVJNYXTNWIBD-IRXDYDNUSA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412293 1033296885 /nfs/dbraw/zinc/29/68/85/1033296885.db2.gz DCIVJNYXTNWIBD-IRXDYDNUSA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412293 1033296893 /nfs/dbraw/zinc/29/68/93/1033296893.db2.gz DCIVJNYXTNWIBD-IRXDYDNUSA-N 2 1 329.513 3.966 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000685470887 1033370883 /nfs/dbraw/zinc/37/08/83/1033370883.db2.gz ZLHVUSLXGGXVNC-UHOSZYNNSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000685470887 1033370896 /nfs/dbraw/zinc/37/08/96/1033370896.db2.gz ZLHVUSLXGGXVNC-UHOSZYNNSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000685470887 1033370913 /nfs/dbraw/zinc/37/09/13/1033370913.db2.gz ZLHVUSLXGGXVNC-UHOSZYNNSA-N 2 1 346.515 3.789 20 0 EHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1F ZINC000271867042 1033391292 /nfs/dbraw/zinc/39/12/92/1033391292.db2.gz LUOOZBVPDGHABH-LLVKDONJSA-N 2 1 327.241 3.501 20 0 EHADMP CCc1ncc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)s1 ZINC000309651017 1033519140 /nfs/dbraw/zinc/51/91/40/1033519140.db2.gz ADNHUDQXXMHVHF-IBGZPJMESA-N 2 1 329.513 3.707 20 0 EHADMP CCc1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309651017 1033519155 /nfs/dbraw/zinc/51/91/55/1033519155.db2.gz ADNHUDQXXMHVHF-IBGZPJMESA-N 2 1 329.513 3.707 20 0 EHADMP CCc1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309651017 1033519165 /nfs/dbraw/zinc/51/91/65/1033519165.db2.gz ADNHUDQXXMHVHF-IBGZPJMESA-N 2 1 329.513 3.707 20 0 EHADMP C[C@@H]1C[C@H](NCc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338333 1033560869 /nfs/dbraw/zinc/56/08/69/1033560869.db2.gz RGTFGWDWDQPNMJ-VQIMIIECSA-N 2 1 338.451 3.558 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CCN1Cc1ccccc1 ZINC000080338333 1033560873 /nfs/dbraw/zinc/56/08/73/1033560873.db2.gz RGTFGWDWDQPNMJ-VQIMIIECSA-N 2 1 338.451 3.558 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708580712 1033571096 /nfs/dbraw/zinc/57/10/96/1033571096.db2.gz AOSNAWLLDFHHKJ-YLJYHZDGSA-N 2 1 326.459 3.992 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708580712 1033571102 /nfs/dbraw/zinc/57/11/02/1033571102.db2.gz AOSNAWLLDFHHKJ-YLJYHZDGSA-N 2 1 326.459 3.992 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708582462 1033571752 /nfs/dbraw/zinc/57/17/52/1033571752.db2.gz UUYTWMBWIDSKIS-LPHOPBHVSA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708582462 1033571759 /nfs/dbraw/zinc/57/17/59/1033571759.db2.gz UUYTWMBWIDSKIS-LPHOPBHVSA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708582463 1033572217 /nfs/dbraw/zinc/57/22/17/1033572217.db2.gz UUYTWMBWIDSKIS-QFBILLFUSA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708582463 1033572223 /nfs/dbraw/zinc/57/22/23/1033572223.db2.gz UUYTWMBWIDSKIS-QFBILLFUSA-N 2 1 342.458 3.692 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000595017883 1033611271 /nfs/dbraw/zinc/61/12/71/1033611271.db2.gz WTPRPWOAKVWMKK-CABCVRRESA-N 2 1 330.538 3.641 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000595017883 1033611280 /nfs/dbraw/zinc/61/12/80/1033611280.db2.gz WTPRPWOAKVWMKK-CABCVRRESA-N 2 1 330.538 3.641 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657918090 1033638409 /nfs/dbraw/zinc/63/84/09/1033638409.db2.gz AMHHDGFVEMDNAT-XHSDSOJGSA-N 2 1 347.528 3.836 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657933719 1033682969 /nfs/dbraw/zinc/68/29/69/1033682969.db2.gz UPSPTOBKOUHCQP-WMZOPIPTSA-N 2 1 336.470 3.965 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCn3nccc32)C[N@H+]1Cc1ccccc1 ZINC000657933739 1033683908 /nfs/dbraw/zinc/68/39/08/1033683908.db2.gz VCNROLYQRYYIBP-YZGWKJHDSA-N 2 1 338.499 3.608 20 0 EHADMP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000603493804 1033706923 /nfs/dbraw/zinc/70/69/23/1033706923.db2.gz IPGNAXZCGVWIMI-CQSZACIVSA-N 2 1 348.288 3.964 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108428531 1033814144 /nfs/dbraw/zinc/81/41/44/1033814144.db2.gz ITWMMXYODNKGFW-MRXNPFEDSA-N 2 1 346.906 3.574 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428531 1033814157 /nfs/dbraw/zinc/81/41/57/1033814157.db2.gz ITWMMXYODNKGFW-MRXNPFEDSA-N 2 1 346.906 3.574 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCn2nccc21 ZINC000658004947 1033836435 /nfs/dbraw/zinc/83/64/35/1033836435.db2.gz VFEYFLBRCIPNEU-AZUAARDMSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000658058813 1033872298 /nfs/dbraw/zinc/87/22/98/1033872298.db2.gz USQZVMGNAFLFIY-KXBFYZLASA-N 2 1 326.488 3.704 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658097177 1033928908 /nfs/dbraw/zinc/92/89/08/1033928908.db2.gz VNYQFXZOOZTGBW-RXVVDRJESA-N 2 1 343.559 3.544 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168316070 1033992662 /nfs/dbraw/zinc/99/26/62/1033992662.db2.gz VEIMIXWSUKXETL-UREXAPBRSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168316070 1033992671 /nfs/dbraw/zinc/99/26/71/1033992671.db2.gz VEIMIXWSUKXETL-UREXAPBRSA-N 2 1 343.559 3.607 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000120617907 1034001835 /nfs/dbraw/zinc/00/18/35/1034001835.db2.gz HAKIJHSPIGRUCH-SFHVURJKSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000120617907 1034001852 /nfs/dbraw/zinc/00/18/52/1034001852.db2.gz HAKIJHSPIGRUCH-SFHVURJKSA-N 2 1 326.488 3.507 20 0 EHADMP COc1ccc([C@@H]2CSCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168323695 1034118216 /nfs/dbraw/zinc/11/82/16/1034118216.db2.gz AYTHTYUOLNWTPQ-TVPLGVNVSA-N 2 1 334.529 3.658 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C)cc2OCC)[C@H](C)C1 ZINC000119239042 1034119252 /nfs/dbraw/zinc/11/92/52/1034119252.db2.gz JGYODJZOKITTTN-UYAOXDASSA-N 2 1 348.531 3.620 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC)[C@H](C)C1 ZINC000119239042 1034119266 /nfs/dbraw/zinc/11/92/66/1034119266.db2.gz JGYODJZOKITTTN-UYAOXDASSA-N 2 1 348.531 3.620 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000658265021 1034128002 /nfs/dbraw/zinc/12/80/02/1034128002.db2.gz VQUIMSIGIDFMLW-FYZZASKESA-N 2 1 330.516 3.659 20 0 EHADMP CC1(C)OCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658333776 1034204890 /nfs/dbraw/zinc/20/48/90/1034204890.db2.gz ZDDPINWDBAWRGH-YSTOQKLRSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H](O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000658360228 1034241504 /nfs/dbraw/zinc/24/15/04/1034241504.db2.gz HMRFONPZSHHMEQ-SQBLYHGDSA-N 2 1 330.516 3.741 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340230642 1034475264 /nfs/dbraw/zinc/47/52/64/1034475264.db2.gz LLWZLSABCWDRJP-MSOLQXFVSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340230642 1034475272 /nfs/dbraw/zinc/47/52/72/1034475272.db2.gz LLWZLSABCWDRJP-MSOLQXFVSA-N 2 1 329.513 3.728 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340252068 1034479235 /nfs/dbraw/zinc/47/92/35/1034479235.db2.gz RYWNUAHQANLQDH-FKBYEOEOSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340252068 1034479240 /nfs/dbraw/zinc/47/92/40/1034479240.db2.gz RYWNUAHQANLQDH-FKBYEOEOSA-N 2 1 338.495 3.925 20 0 EHADMP C(=C/C[N@H+]1CCc2ccsc2C1)\C[NH+]1CCc2ccsc2C1 ZINC000132684682 1034500790 /nfs/dbraw/zinc/50/07/90/1034500790.db2.gz IGKUOPVFBKVACX-OWOJBTEDSA-N 2 1 330.522 3.782 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000121319768 1034824674 /nfs/dbraw/zinc/82/46/74/1034824674.db2.gz TWZYORJNWYQQRH-KRWDZBQOSA-N 2 1 329.463 3.971 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925140 1034950586 /nfs/dbraw/zinc/95/05/86/1034950586.db2.gz HQJCOVVJUFOVAB-ICSRJNTNSA-N 2 1 344.547 3.662 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925140 1034950596 /nfs/dbraw/zinc/95/05/96/1034950596.db2.gz HQJCOVVJUFOVAB-ICSRJNTNSA-N 2 1 344.547 3.662 20 0 EHADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1csc(-c2ccccc2)n1 ZINC000414069441 1035438959 /nfs/dbraw/zinc/43/89/59/1035438959.db2.gz RQEFYIMBBJTVMF-GJZGRUSLSA-N 2 1 327.497 3.945 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccn(C)n1 ZINC000414075761 1035446694 /nfs/dbraw/zinc/44/66/94/1035446694.db2.gz XSILJQBCXFQQQE-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccn(C)n1 ZINC000414075761 1035446696 /nfs/dbraw/zinc/44/66/96/1035446696.db2.gz XSILJQBCXFQQQE-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000540660571 1035549637 /nfs/dbraw/zinc/54/96/37/1035549637.db2.gz OPTMZWCIHXUHFA-SUMWQHHRSA-N 2 1 345.314 3.830 20 0 EHADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2OC)cc1 ZINC000571537612 1035551616 /nfs/dbraw/zinc/55/16/16/1035551616.db2.gz LASLFZYDUMBZOE-FIKGOQFSSA-N 2 1 340.467 3.653 20 0 EHADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)[C@@H]1CC1(C)C ZINC000414131856 1035689315 /nfs/dbraw/zinc/68/93/15/1035689315.db2.gz YKPVGKMIXGHMRP-ROUUACIJSA-N 2 1 333.520 3.918 20 0 EHADMP c1[nH+]cn2cc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc12 ZINC000414145950 1035765238 /nfs/dbraw/zinc/76/52/38/1035765238.db2.gz BMRKDDTZNQQLJV-MZADTFQBSA-N 3 1 346.478 3.620 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000414147603 1035772712 /nfs/dbraw/zinc/77/27/12/1035772712.db2.gz QNEOCKCNIYPOOU-DQZIJCINSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C[C@H](C)O1 ZINC000571898332 1035777737 /nfs/dbraw/zinc/77/77/37/1035777737.db2.gz MJSPFCVMWSDJAO-ILACCBGSSA-N 2 1 328.500 3.574 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000414175075 1035894150 /nfs/dbraw/zinc/89/41/50/1035894150.db2.gz IASPWFXIEJEQAQ-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP Cc1cccc(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168387630 1036283830 /nfs/dbraw/zinc/28/38/30/1036283830.db2.gz MUMSCTRWDRSBSV-UHFFFAOYSA-N 2 1 328.500 3.713 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526977 1036401806 /nfs/dbraw/zinc/40/18/06/1036401806.db2.gz RKVOWYANESTZTL-UKRRQHHQSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526977 1036401812 /nfs/dbraw/zinc/40/18/12/1036401812.db2.gz RKVOWYANESTZTL-UKRRQHHQSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526977 1036401824 /nfs/dbraw/zinc/40/18/24/1036401824.db2.gz RKVOWYANESTZTL-UKRRQHHQSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526977 1036401840 /nfs/dbraw/zinc/40/18/40/1036401840.db2.gz RKVOWYANESTZTL-UKRRQHHQSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526977 1036401854 /nfs/dbraw/zinc/40/18/54/1036401854.db2.gz RKVOWYANESTZTL-UKRRQHHQSA-N 2 1 344.833 3.858 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCc3ccncc3)C2)s1 ZINC000572885452 1036527508 /nfs/dbraw/zinc/52/75/08/1036527508.db2.gz BIGJZLYJNQJXTN-IBGZPJMESA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCc3ccncc3)C2)s1 ZINC000572885452 1036527520 /nfs/dbraw/zinc/52/75/20/1036527520.db2.gz BIGJZLYJNQJXTN-IBGZPJMESA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCc3ccncc3)C2)s1 ZINC000572885452 1036527545 /nfs/dbraw/zinc/52/75/45/1036527545.db2.gz BIGJZLYJNQJXTN-IBGZPJMESA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CCCC2)o1 ZINC000541732523 1036600311 /nfs/dbraw/zinc/60/03/11/1036600311.db2.gz NJXKCTGJYAOYHG-QUCCMNQESA-N 2 1 334.504 3.646 20 0 EHADMP C[C@@]1(C[NH2+][C@H]2CCCc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310885148 1036716652 /nfs/dbraw/zinc/71/66/52/1036716652.db2.gz JBOZRXBSFOBNHV-UNMCSNQZSA-N 2 1 335.495 3.961 20 0 EHADMP C[C@@]1(C[NH2+][C@H]2CCCc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310885148 1036716670 /nfs/dbraw/zinc/71/66/70/1036716670.db2.gz JBOZRXBSFOBNHV-UNMCSNQZSA-N 2 1 335.495 3.961 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc3ccccc3c2)C1 ZINC000464788036 1036788186 /nfs/dbraw/zinc/78/81/86/1036788186.db2.gz GODJSKFMLSGKJD-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000464788036 1036788208 /nfs/dbraw/zinc/78/82/08/1036788208.db2.gz GODJSKFMLSGKJD-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000464788036 1036788218 /nfs/dbraw/zinc/78/82/18/1036788218.db2.gz GODJSKFMLSGKJD-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CS[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](SC)C3)c2)C1 ZINC000590750058 1037025431 /nfs/dbraw/zinc/02/54/31/1037025431.db2.gz UANZWIMXYDPLBY-ROUUACIJSA-N 2 1 336.570 3.561 20 0 EHADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787072 1037055234 /nfs/dbraw/zinc/05/52/34/1037055234.db2.gz RNHSNNQHOIZMPF-GOSISDBHSA-N 2 1 345.531 3.683 20 0 EHADMP c1coc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000647543349 1037091380 /nfs/dbraw/zinc/09/13/80/1037091380.db2.gz LPIQGILVKUFPMK-CABCVRRESA-N 2 1 331.485 3.615 20 0 EHADMP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000303111848 1037113420 /nfs/dbraw/zinc/11/34/20/1037113420.db2.gz PZHGIZOWCJFUQY-UHFFFAOYSA-N 2 1 332.875 3.960 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccnn1-c1ccccc1 ZINC000467314147 1037150834 /nfs/dbraw/zinc/15/08/34/1037150834.db2.gz SUKUXPDPRCMCDP-MSOLQXFVSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccnn1-c1ccccc1 ZINC000467314147 1037150841 /nfs/dbraw/zinc/15/08/41/1037150841.db2.gz SUKUXPDPRCMCDP-MSOLQXFVSA-N 2 1 326.488 3.787 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2OCC2CC2)C1 ZINC000539851438 1037282863 /nfs/dbraw/zinc/28/28/63/1037282863.db2.gz UZOTXHYSNHKRCY-LJQANCHMSA-N 2 1 328.500 3.639 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2OCC2CC2)C1 ZINC000539851438 1037282878 /nfs/dbraw/zinc/28/28/78/1037282878.db2.gz UZOTXHYSNHKRCY-LJQANCHMSA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000539851438 1037282888 /nfs/dbraw/zinc/28/28/88/1037282888.db2.gz UZOTXHYSNHKRCY-LJQANCHMSA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000539851438 1037282903 /nfs/dbraw/zinc/28/29/03/1037282903.db2.gz UZOTXHYSNHKRCY-LJQANCHMSA-N 2 1 328.500 3.639 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000532442338 1037291922 /nfs/dbraw/zinc/29/19/22/1037291922.db2.gz PBWNBXWDFVGSFS-PKOBYXMFSA-N 2 1 343.540 3.696 20 0 EHADMP C[C@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)C[NH+](C)C ZINC000491592503 1037574106 /nfs/dbraw/zinc/57/41/06/1037574106.db2.gz WCZJWILCJGOFHW-QGZVFWFLSA-N 2 1 340.515 3.512 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1C(F)(F)F ZINC000623934800 1037577253 /nfs/dbraw/zinc/57/72/53/1037577253.db2.gz DWVKGMRKHGLIAE-JQWIXIFHSA-N 2 1 327.325 3.707 20 0 EHADMP Cc1cnccc1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000573482692 1037581139 /nfs/dbraw/zinc/58/11/39/1037581139.db2.gz KCTGILGVRPOVEV-JOCHJYFZSA-N 2 1 335.495 3.531 20 0 EHADMP Cc1cnccc1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573482692 1037581152 /nfs/dbraw/zinc/58/11/52/1037581152.db2.gz KCTGILGVRPOVEV-JOCHJYFZSA-N 2 1 335.495 3.531 20 0 EHADMP Cc1cnccc1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573482692 1037581163 /nfs/dbraw/zinc/58/11/63/1037581163.db2.gz KCTGILGVRPOVEV-JOCHJYFZSA-N 2 1 335.495 3.531 20 0 EHADMP C[C@H](c1ccc2ccccc2c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115546291 1037585391 /nfs/dbraw/zinc/58/53/91/1037585391.db2.gz XBDGBTWOEWSVHK-QGZVFWFLSA-N 2 1 326.484 3.679 20 0 EHADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546291 1037585401 /nfs/dbraw/zinc/58/54/01/1037585401.db2.gz XBDGBTWOEWSVHK-QGZVFWFLSA-N 2 1 326.484 3.679 20 0 EHADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546291 1037585410 /nfs/dbraw/zinc/58/54/10/1037585410.db2.gz XBDGBTWOEWSVHK-QGZVFWFLSA-N 2 1 326.484 3.679 20 0 EHADMP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1([NH+]2CCCCC2)CCCCC1 ZINC000493977780 1037739377 /nfs/dbraw/zinc/73/93/77/1037739377.db2.gz PQLJGBACODBYBQ-CEXWTWQISA-N 2 1 332.532 3.722 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC001168225242 1037804416 /nfs/dbraw/zinc/80/44/16/1037804416.db2.gz XBYYAKWONXQUPM-UHFFFAOYSA-N 2 1 344.499 3.606 20 0 EHADMP C[N@@H+](CCNC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000463154077 1037822234 /nfs/dbraw/zinc/82/22/34/1037822234.db2.gz YKJOFAZZYHFACG-UHFFFAOYSA-N 2 1 349.950 3.768 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183154275 1037933952 /nfs/dbraw/zinc/93/39/52/1037933952.db2.gz QBHKWUOBHXYLHC-PCCBWWKXSA-N 2 1 342.527 3.693 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378180394 1038151630 /nfs/dbraw/zinc/15/16/30/1038151630.db2.gz VJTYJQZWWJWUGQ-VHDGCEQUSA-N 2 1 342.936 3.594 20 0 EHADMP CCc1ccc(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)o1 ZINC000538719191 1038489201 /nfs/dbraw/zinc/48/92/01/1038489201.db2.gz QTSOLEPJPKOBFN-UHFFFAOYSA-N 2 1 327.472 3.976 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000538753234 1038518291 /nfs/dbraw/zinc/51/82/91/1038518291.db2.gz ZFMQBPHJECRVLK-FGZHOGPDSA-N 2 1 344.543 3.861 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924689808 1038753854 /nfs/dbraw/zinc/75/38/54/1038753854.db2.gz ZCFVNUBFYDNFJR-SVFBPWRDSA-N 2 1 329.532 3.895 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554071447 1038854480 /nfs/dbraw/zinc/85/44/80/1038854480.db2.gz KGPDOMLIWAIASK-KFWWJZLASA-N 2 1 336.442 3.587 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554071447 1038854501 /nfs/dbraw/zinc/85/45/01/1038854501.db2.gz KGPDOMLIWAIASK-KFWWJZLASA-N 2 1 336.442 3.587 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(OCC2CC2)c1 ZINC000552044290 1038909731 /nfs/dbraw/zinc/90/97/31/1038909731.db2.gz ZHRGQPZJVZJTKC-AQNXPRMDSA-N 2 1 328.500 3.746 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363918180 1038925073 /nfs/dbraw/zinc/92/50/73/1038925073.db2.gz BQRMHQUCNNWXJA-BHYGNILZSA-N 2 1 349.906 3.582 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)sc1Br ZINC000093088950 1038997693 /nfs/dbraw/zinc/99/76/93/1038997693.db2.gz QTJPFOMZFAPILL-UHFFFAOYSA-N 2 1 331.323 3.593 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000488268850 1039025416 /nfs/dbraw/zinc/02/54/16/1039025416.db2.gz PNMSGNKUWMJREV-INIZCTEOSA-N 2 1 349.494 3.515 20 0 EHADMP COCc1csc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000667592843 1039039599 /nfs/dbraw/zinc/03/95/99/1039039599.db2.gz HGFAGTZSWIZZAY-KRWDZBQOSA-N 2 1 336.545 3.983 20 0 EHADMP COCc1csc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000667592843 1039039619 /nfs/dbraw/zinc/03/96/19/1039039619.db2.gz HGFAGTZSWIZZAY-KRWDZBQOSA-N 2 1 336.545 3.983 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000512420191 1039084549 /nfs/dbraw/zinc/08/45/49/1039084549.db2.gz IEJWVGYZUDWHOK-UHFFFAOYSA-N 2 1 334.479 3.842 20 0 EHADMP CO[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1(C)C ZINC000552244493 1039109746 /nfs/dbraw/zinc/10/97/46/1039109746.db2.gz BYYXJTFPTTWNDR-TUNPWDSISA-N 2 1 330.516 3.833 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000488360785 1039122095 /nfs/dbraw/zinc/12/20/95/1039122095.db2.gz OXZDSCSYLUUAMT-UHFFFAOYSA-N 2 1 345.531 3.802 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000488426345 1039165762 /nfs/dbraw/zinc/16/57/62/1039165762.db2.gz HURSOOFJANKQJO-OALUTQOASA-N 2 1 348.556 3.529 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000480097397 1039172314 /nfs/dbraw/zinc/17/23/14/1039172314.db2.gz SNHSNBGORFPXPZ-QFBILLFUSA-N 2 1 338.923 3.609 20 0 EHADMP COCCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000552322142 1039175259 /nfs/dbraw/zinc/17/52/59/1039175259.db2.gz DWGDZOKYFZACLM-SZVBFZGTSA-N 2 1 338.923 3.780 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000236721306 1039244446 /nfs/dbraw/zinc/24/44/46/1039244446.db2.gz KIHFHKCLHIEVLL-DOTOQJQBSA-N 2 1 329.488 3.504 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093006789 1039287557 /nfs/dbraw/zinc/28/75/57/1039287557.db2.gz YHEKYTYEOHUROH-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)CC[N@H+]1C ZINC000480218165 1039317923 /nfs/dbraw/zinc/31/79/23/1039317923.db2.gz NVNDOIPRVRIONW-GCJKJVERSA-N 2 1 349.522 3.822 20 0 EHADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000485685905 1039423778 /nfs/dbraw/zinc/42/37/78/1039423778.db2.gz RCZOPOYINGKNEI-QFBILLFUSA-N 2 1 343.515 3.587 20 0 EHADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000485685905 1039423788 /nfs/dbraw/zinc/42/37/88/1039423788.db2.gz RCZOPOYINGKNEI-QFBILLFUSA-N 2 1 343.515 3.587 20 0 EHADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000485685905 1039423794 /nfs/dbraw/zinc/42/37/94/1039423794.db2.gz RCZOPOYINGKNEI-QFBILLFUSA-N 2 1 343.515 3.587 20 0 EHADMP C[C@H]1C[C@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000511606355 1039448828 /nfs/dbraw/zinc/44/88/28/1039448828.db2.gz ZXEKFCZJIOYUFU-RDJZCZTQSA-N 2 1 335.455 3.622 20 0 EHADMP C[C@H]1C[C@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000511606355 1039448833 /nfs/dbraw/zinc/44/88/33/1039448833.db2.gz ZXEKFCZJIOYUFU-RDJZCZTQSA-N 2 1 335.455 3.622 20 0 EHADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(F)cn1 ZINC000345059249 1039609608 /nfs/dbraw/zinc/60/96/08/1039609608.db2.gz OCAIQVVVOMOFDB-QGZVFWFLSA-N 2 1 328.435 3.634 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000417368542 1039737889 /nfs/dbraw/zinc/73/78/89/1039737889.db2.gz OSNYECJAVMNONM-BURNTYAHSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000480663426 1039877742 /nfs/dbraw/zinc/87/77/42/1039877742.db2.gz LKLZYTZSZBBJER-DLBZAZTESA-N 2 1 328.504 3.738 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000554880075 1039898468 /nfs/dbraw/zinc/89/84/68/1039898468.db2.gz ADOVNLCWBNLIJH-IOYVKDBASA-N 2 1 332.491 3.967 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000554880075 1039898476 /nfs/dbraw/zinc/89/84/76/1039898476.db2.gz ADOVNLCWBNLIJH-IOYVKDBASA-N 2 1 332.491 3.967 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932445 /nfs/dbraw/zinc/93/24/45/1039932445.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932466 /nfs/dbraw/zinc/93/24/66/1039932466.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932478 /nfs/dbraw/zinc/93/24/78/1039932478.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932483 /nfs/dbraw/zinc/93/24/83/1039932483.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000480722394 1039932494 /nfs/dbraw/zinc/93/24/94/1039932494.db2.gz PSEQDFUWRKVHHQ-MOXWOTFGSA-N 2 1 343.559 3.594 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000549808366 1039944870 /nfs/dbraw/zinc/94/48/70/1039944870.db2.gz NJSLQQHJYIPULN-GOSISDBHSA-N 2 1 340.515 3.559 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000549808366 1039944882 /nfs/dbraw/zinc/94/48/82/1039944882.db2.gz NJSLQQHJYIPULN-GOSISDBHSA-N 2 1 340.515 3.559 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@@H+]1C ZINC000489518724 1040039070 /nfs/dbraw/zinc/03/90/70/1040039070.db2.gz SLBMNWMXKREAMJ-MOXGXCLJSA-N 2 1 328.500 3.851 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@H+]1C ZINC000489518724 1040039086 /nfs/dbraw/zinc/03/90/86/1040039086.db2.gz SLBMNWMXKREAMJ-MOXGXCLJSA-N 2 1 328.500 3.851 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc2cc(Br)ccc2o1 ZINC000401775413 1040144004 /nfs/dbraw/zinc/14/40/04/1040144004.db2.gz MNXAXYJRRYSRPZ-NSHDSACASA-N 2 1 348.244 3.822 20 0 EHADMP CC(C)(C[NH2+]Cc1csc(Br)c1)C[NH+]1CCCC1 ZINC000480913100 1040156485 /nfs/dbraw/zinc/15/64/85/1040156485.db2.gz ODZBBLCPNXZNMO-UHFFFAOYSA-N 2 1 331.323 3.722 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)C1 ZINC000667785200 1040187584 /nfs/dbraw/zinc/18/75/84/1040187584.db2.gz JKJPXRTUOGKGCZ-HBGVWJBISA-N 2 1 328.500 3.576 20 0 EHADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000245801301 1040192280 /nfs/dbraw/zinc/19/22/80/1040192280.db2.gz PJNPPRSTFBVYGU-ROUUACIJSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000481031341 1040291018 /nfs/dbraw/zinc/29/10/18/1040291018.db2.gz ARKGZENBVNVDGD-RHSMWYFYSA-N 2 1 348.487 3.662 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](CCC(C)C)C3CC3)CC2)nc(C)[nH+]1 ZINC000555225982 1040311136 /nfs/dbraw/zinc/31/11/36/1040311136.db2.gz HUVXAIHXSZOISG-LJQANCHMSA-N 2 1 330.520 3.867 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000555235885 1040324287 /nfs/dbraw/zinc/32/42/87/1040324287.db2.gz OGRRLCWAYUFDIX-JBFBMEKISA-N 2 1 344.543 3.907 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168189 1040379372 /nfs/dbraw/zinc/37/93/72/1040379372.db2.gz SFMSUHQCEJQQHF-KKSFZXQISA-N 2 1 342.458 3.855 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168189 1040379391 /nfs/dbraw/zinc/37/93/91/1040379391.db2.gz SFMSUHQCEJQQHF-KKSFZXQISA-N 2 1 342.458 3.855 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294180 1040618964 /nfs/dbraw/zinc/61/89/64/1040618964.db2.gz KBNJGZBTLSSNQV-AYBZRNKSSA-N 2 1 334.479 3.792 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1ccccc1OC(F)(F)F)C[NH+]1CCCC1 ZINC000481324158 1040686089 /nfs/dbraw/zinc/68/60/89/1040686089.db2.gz QJLQHRNDOYSHPT-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)[C@@H](C)C1 ZINC000248155077 1040711180 /nfs/dbraw/zinc/71/11/80/1040711180.db2.gz RFYCCVGSNNHDTI-RYGJVYDSSA-N 2 1 334.479 3.540 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667872448 1040783499 /nfs/dbraw/zinc/78/34/99/1040783499.db2.gz AEGMZEGPKDDTEY-PZJWPPBQSA-N 2 1 340.467 3.569 20 0 EHADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411384452 1040808120 /nfs/dbraw/zinc/80/81/20/1040808120.db2.gz HVVFKVNCCDVTGO-FQEVSTJZSA-N 2 1 338.499 3.775 20 0 EHADMP Cc1noc(C)c1[C@@H](C)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924874103 1040884226 /nfs/dbraw/zinc/88/42/26/1040884226.db2.gz OFYPHHIGHKOTPP-CJNGLKHVSA-N 2 1 333.501 3.916 20 0 EHADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000924874103 1040884236 /nfs/dbraw/zinc/88/42/36/1040884236.db2.gz OFYPHHIGHKOTPP-CJNGLKHVSA-N 2 1 333.501 3.916 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000569823605 1040908156 /nfs/dbraw/zinc/90/81/56/1040908156.db2.gz ADFYLNGECZSTQV-HZPDHXFCSA-N 2 1 345.512 3.715 20 0 EHADMP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000487553963 1040939372 /nfs/dbraw/zinc/93/93/72/1040939372.db2.gz QMEKPKOVDIRIGN-DOTOQJQBSA-N 2 1 334.479 3.967 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000491169298 1040950950 /nfs/dbraw/zinc/95/09/50/1040950950.db2.gz VZENLASDWNDUSI-WIYYLYMNSA-N 2 1 330.516 3.646 20 0 EHADMP Cc1ccc2ccnc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000567748779 1041078798 /nfs/dbraw/zinc/07/87/98/1041078798.db2.gz JIZUFMCMGCDILO-HXUWFJFHSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000567748779 1041078811 /nfs/dbraw/zinc/07/88/11/1041078811.db2.gz JIZUFMCMGCDILO-HXUWFJFHSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000567748779 1041078818 /nfs/dbraw/zinc/07/88/18/1041078818.db2.gz JIZUFMCMGCDILO-HXUWFJFHSA-N 2 1 347.462 3.722 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149740 1041096620 /nfs/dbraw/zinc/09/66/20/1041096620.db2.gz YJJBIXQUHQJXSP-XLIONFOSSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149740 1041096637 /nfs/dbraw/zinc/09/66/37/1041096637.db2.gz YJJBIXQUHQJXSP-XLIONFOSSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149740 1041096670 /nfs/dbraw/zinc/09/66/70/1041096670.db2.gz YJJBIXQUHQJXSP-XLIONFOSSA-N 2 1 340.515 3.638 20 0 EHADMP COCCCC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000894134037 1041114127 /nfs/dbraw/zinc/11/41/27/1041114127.db2.gz HOKGINHRSJZLHD-FQEVSTJZSA-N 2 1 330.516 3.695 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2Cl)no1 ZINC001212144899 1041116069 /nfs/dbraw/zinc/11/60/69/1041116069.db2.gz GRISZQKZQYJNBW-ZDUSSCGKSA-N 2 1 340.830 3.697 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3ccoc32)no1 ZINC001212145188 1041139736 /nfs/dbraw/zinc/13/97/36/1041139736.db2.gz NEBJLFVQPOCYKM-HNNXBMFYSA-N 2 1 328.416 3.651 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789428 1041159040 /nfs/dbraw/zinc/15/90/40/1041159040.db2.gz DQBVQZDOWKNYFO-WQZMEWCLSA-N 2 1 327.516 3.861 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000555801756 1041161888 /nfs/dbraw/zinc/16/18/88/1041161888.db2.gz ATKGSTPUECRQMM-MRXNPFEDSA-N 2 1 326.406 3.869 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000571292714 1041259963 /nfs/dbraw/zinc/25/99/63/1041259963.db2.gz QYNWENUSGLVBII-SVFBPWRDSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571292714 1041259975 /nfs/dbraw/zinc/25/99/75/1041259975.db2.gz QYNWENUSGLVBII-SVFBPWRDSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571292714 1041259990 /nfs/dbraw/zinc/25/99/90/1041259990.db2.gz QYNWENUSGLVBII-SVFBPWRDSA-N 2 1 331.548 3.750 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176726 1041301921 /nfs/dbraw/zinc/30/19/21/1041301921.db2.gz AIJKWSHULADKJQ-GHTZIAJQSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000164176726 1041301931 /nfs/dbraw/zinc/30/19/31/1041301931.db2.gz AIJKWSHULADKJQ-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000164176726 1041301947 /nfs/dbraw/zinc/30/19/47/1041301947.db2.gz AIJKWSHULADKJQ-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176726 1041301966 /nfs/dbraw/zinc/30/19/66/1041301966.db2.gz AIJKWSHULADKJQ-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC(C)(C)C1 ZINC000511769998 1041587944 /nfs/dbraw/zinc/58/79/44/1041587944.db2.gz NRCYIKARRRAVEN-XLIONFOSSA-N 2 1 330.516 3.823 20 0 EHADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH+]2CCCCC2)cc1 ZINC000661556160 1042186716 /nfs/dbraw/zinc/18/67/16/1042186716.db2.gz KFCIBDMZDJUTPL-PMSBKCLSSA-N 2 1 328.500 3.937 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000652222871 1042279832 /nfs/dbraw/zinc/27/98/32/1042279832.db2.gz ZLAILWXHHFDLEK-KRWDZBQOSA-N 2 1 348.535 3.845 20 0 EHADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000652352312 1042411663 /nfs/dbraw/zinc/41/16/63/1042411663.db2.gz BFHINZZXOAMWSL-KXBFYZLASA-N 2 1 345.874 3.864 20 0 EHADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000652352312 1042411667 /nfs/dbraw/zinc/41/16/67/1042411667.db2.gz BFHINZZXOAMWSL-KXBFYZLASA-N 2 1 345.874 3.864 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000662287117 1042659038 /nfs/dbraw/zinc/65/90/38/1042659038.db2.gz WFNBDMQIPZZRJJ-MSEOUXRUSA-N 2 1 342.527 3.789 20 0 EHADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297894 1042665058 /nfs/dbraw/zinc/66/50/58/1042665058.db2.gz STZUUOCCZFEYNF-DZGCQCFKSA-N 2 1 346.500 3.571 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc2c1CC[NH2+]C2)CC3 ZINC000662306971 1042672983 /nfs/dbraw/zinc/67/29/83/1042672983.db2.gz SZUOWDQNVHJKDU-UHFFFAOYSA-N 2 1 331.463 3.680 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC3 ZINC000662306971 1042672986 /nfs/dbraw/zinc/67/29/86/1042672986.db2.gz SZUOWDQNVHJKDU-UHFFFAOYSA-N 2 1 331.463 3.680 20 0 EHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313021 1042677706 /nfs/dbraw/zinc/67/77/06/1042677706.db2.gz FUWHCJIVOVOCKN-VQIMIIECSA-N 2 1 345.531 3.762 20 0 EHADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000662317880 1042683113 /nfs/dbraw/zinc/68/31/13/1042683113.db2.gz UWGFELWCCZBYEY-ZYHUDNBSSA-N 2 1 335.439 3.810 20 0 EHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321431 1042684731 /nfs/dbraw/zinc/68/47/31/1042684731.db2.gz IEYMKZLUJOXDOO-IEBWSBKVSA-N 2 1 326.484 3.943 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344230 1042726963 /nfs/dbraw/zinc/72/69/63/1042726963.db2.gz PQRCANXUSRPCNV-SQWSFHKJSA-N 2 1 342.527 3.948 20 0 EHADMP Brc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663347701 1042737349 /nfs/dbraw/zinc/73/73/49/1042737349.db2.gz STFHEZZKGVPJDT-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347701 1042737353 /nfs/dbraw/zinc/73/73/53/1042737353.db2.gz STFHEZZKGVPJDT-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347607 1042737637 /nfs/dbraw/zinc/73/76/37/1042737637.db2.gz PWUMVGKKARIXJI-HNNXBMFYSA-N 2 1 326.406 3.917 20 0 EHADMP c1cc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000662504966 1042765801 /nfs/dbraw/zinc/76/58/01/1042765801.db2.gz OJCDJWJDWCBYLL-HXUWFJFHSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]n1 ZINC000662504966 1042765806 /nfs/dbraw/zinc/76/58/06/1042765806.db2.gz OJCDJWJDWCBYLL-HXUWFJFHSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]n1 ZINC000662504966 1042765811 /nfs/dbraw/zinc/76/58/11/1042765811.db2.gz OJCDJWJDWCBYLL-HXUWFJFHSA-N 2 1 338.499 3.775 20 0 EHADMP Cc1cc(CO)cc(NCc2ccccc2C[NH+]2CCC(C)CC2)[nH+]1 ZINC000663390691 1042802893 /nfs/dbraw/zinc/80/28/93/1042802893.db2.gz TZFSCPGEIYUWOQ-UHFFFAOYSA-N 2 1 339.483 3.726 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000278879797 1042817174 /nfs/dbraw/zinc/81/71/74/1042817174.db2.gz XVWBFAYCKBBZIK-YRPNKDGESA-N 2 1 330.516 3.567 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663465285 1042884957 /nfs/dbraw/zinc/88/49/57/1042884957.db2.gz JAIQNPBTCSSREH-XNKSBNDBSA-N 2 1 342.527 3.899 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470284 1042898974 /nfs/dbraw/zinc/89/89/74/1042898974.db2.gz UJUISZCVBDRENG-OCCSQVGLSA-N 2 1 326.406 3.877 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470284 1042898983 /nfs/dbraw/zinc/89/89/83/1042898983.db2.gz UJUISZCVBDRENG-OCCSQVGLSA-N 2 1 326.406 3.877 20 0 EHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000925779023 1042910820 /nfs/dbraw/zinc/91/08/20/1042910820.db2.gz LHEKBDBBBXVWGT-ZWNOBZJWSA-N 2 1 332.847 3.711 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000166132240 1042924270 /nfs/dbraw/zinc/92/42/70/1042924270.db2.gz QPRLARFOGWMHQJ-HEHGZKQESA-N 2 1 340.895 3.566 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000166132240 1042924276 /nfs/dbraw/zinc/92/42/76/1042924276.db2.gz QPRLARFOGWMHQJ-HEHGZKQESA-N 2 1 340.895 3.566 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001167835873 1043038599 /nfs/dbraw/zinc/03/85/99/1043038599.db2.gz VCDFTPZRNBDIJC-OALUTQOASA-N 2 1 333.520 3.744 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001167839601 1043058004 /nfs/dbraw/zinc/05/80/04/1043058004.db2.gz ASUKWPZAVOISGZ-GOSISDBHSA-N 2 1 340.515 3.876 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001167839601 1043058016 /nfs/dbraw/zinc/05/80/16/1043058016.db2.gz ASUKWPZAVOISGZ-GOSISDBHSA-N 2 1 340.515 3.876 20 0 EHADMP C[C@H](O)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000658359537 1043098177 /nfs/dbraw/zinc/09/81/77/1043098177.db2.gz DPQJYXNAHBWUHC-OVQGTLEDSA-N 2 1 330.516 3.741 20 0 EHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(C)ccc1OC ZINC000432414176 1043132069 /nfs/dbraw/zinc/13/20/69/1043132069.db2.gz QURALRYLOPKTPL-HKUYNNGSSA-N 2 1 334.504 3.545 20 0 EHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(C)ccc1OC ZINC000432414176 1043132073 /nfs/dbraw/zinc/13/20/73/1043132073.db2.gz QURALRYLOPKTPL-HKUYNNGSSA-N 2 1 334.504 3.545 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001167841830 1043132948 /nfs/dbraw/zinc/13/29/48/1043132948.db2.gz RWJZCRYNGLIBRS-QGZVFWFLSA-N 2 1 343.556 3.734 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CCCO1 ZINC000432438994 1043242522 /nfs/dbraw/zinc/24/25/22/1043242522.db2.gz FCNZUQUXVGAIAV-CEMLEFRQSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CCCO1 ZINC000432438994 1043242532 /nfs/dbraw/zinc/24/25/32/1043242532.db2.gz FCNZUQUXVGAIAV-CEMLEFRQSA-N 2 1 344.543 3.878 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432447898 1043274614 /nfs/dbraw/zinc/27/46/14/1043274614.db2.gz QTVOJBFZCKRASA-SESVDKBCSA-N 2 1 330.516 3.722 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432447898 1043274620 /nfs/dbraw/zinc/27/46/20/1043274620.db2.gz QTVOJBFZCKRASA-SESVDKBCSA-N 2 1 330.516 3.722 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450492 1043292058 /nfs/dbraw/zinc/29/20/58/1043292058.db2.gz XGGBZOOIJHQAMJ-IRXDYDNUSA-N 2 1 336.545 3.950 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450492 1043292076 /nfs/dbraw/zinc/29/20/76/1043292076.db2.gz XGGBZOOIJHQAMJ-IRXDYDNUSA-N 2 1 336.545 3.950 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000390934486 1043362130 /nfs/dbraw/zinc/36/21/30/1043362130.db2.gz GKRJOCFTSGWZHJ-GDBMZVCRSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000390934486 1043362136 /nfs/dbraw/zinc/36/21/36/1043362136.db2.gz GKRJOCFTSGWZHJ-GDBMZVCRSA-N 2 1 328.378 3.549 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000279581379 1044260104 /nfs/dbraw/zinc/26/01/04/1044260104.db2.gz UNTAOEWHPJVNNZ-UHFFFAOYSA-N 2 1 343.446 3.975 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000344664893 1044262393 /nfs/dbraw/zinc/26/23/93/1044262393.db2.gz IZBYVZDABFTJCG-WMZOPIPTSA-N 2 1 325.456 3.755 20 0 EHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000154351672 1125713338 /nfs/dbraw/zinc/71/33/38/1125713338.db2.gz DWDLEBUPNKYZAL-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174450196 1126853177 /nfs/dbraw/zinc/85/31/77/1126853177.db2.gz AJKGIHWXRFQEDX-UHFFFAOYSA-N 2 1 339.439 3.806 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCCC(C)C ZINC000174516159 1126854813 /nfs/dbraw/zinc/85/48/13/1126854813.db2.gz JLFKROXJQUJMBN-AEFFLSMTSA-N 2 1 334.504 3.692 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCCC(C)C ZINC000174516159 1126854815 /nfs/dbraw/zinc/85/48/15/1126854815.db2.gz JLFKROXJQUJMBN-AEFFLSMTSA-N 2 1 334.504 3.692 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174773564 1126860138 /nfs/dbraw/zinc/86/01/38/1126860138.db2.gz HQMJXAYXNJRXGU-BXUZGUMPSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174773564 1126860140 /nfs/dbraw/zinc/86/01/40/1126860140.db2.gz HQMJXAYXNJRXGU-BXUZGUMPSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174773564 1126860143 /nfs/dbraw/zinc/86/01/43/1126860143.db2.gz HQMJXAYXNJRXGU-BXUZGUMPSA-N 2 1 331.323 3.673 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301147 1126885003 /nfs/dbraw/zinc/88/50/03/1126885003.db2.gz HRQDJWUNZIWLBE-UTKZUKDTSA-N 2 1 348.494 3.606 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301147 1126885006 /nfs/dbraw/zinc/88/50/06/1126885006.db2.gz HRQDJWUNZIWLBE-UTKZUKDTSA-N 2 1 348.494 3.606 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000671309212 1126906585 /nfs/dbraw/zinc/90/65/85/1126906585.db2.gz KHEVJKNHHVOGSG-UHFFFAOYSA-N 2 1 326.484 3.994 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623358002 1126929024 /nfs/dbraw/zinc/92/90/24/1126929024.db2.gz LJJPPIVGHUDZJP-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623358002 1126929029 /nfs/dbraw/zinc/92/90/29/1126929029.db2.gz LJJPPIVGHUDZJP-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376933 1126936315 /nfs/dbraw/zinc/93/63/15/1126936315.db2.gz IIVSVLHFPIMCHE-XJKSGUPXSA-N 2 1 339.321 3.843 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)CC1(C)C ZINC000623376738 1126936706 /nfs/dbraw/zinc/93/67/06/1126936706.db2.gz AGARHIHONSDOOQ-NSHDSACASA-N 2 1 331.323 3.516 20 0 EHADMP C[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1(C)C ZINC000623413253 1126947696 /nfs/dbraw/zinc/94/76/96/1126947696.db2.gz PVCXJLGEBZVIGX-WVVQBRDUSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(C)C ZINC000623413253 1126947698 /nfs/dbraw/zinc/94/76/98/1126947698.db2.gz PVCXJLGEBZVIGX-WVVQBRDUSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1(C)C ZINC000623413253 1126947700 /nfs/dbraw/zinc/94/77/00/1126947700.db2.gz PVCXJLGEBZVIGX-WVVQBRDUSA-N 3 1 341.543 3.644 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623561876 1126986588 /nfs/dbraw/zinc/98/65/88/1126986588.db2.gz AJBTZXNOCXPWTQ-JKSUJKDBSA-N 2 1 335.923 3.629 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623923405 1127216931 /nfs/dbraw/zinc/21/69/31/1127216931.db2.gz ADDNBVFMBRPJCI-KOUHRCEDSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624029886 1127237421 /nfs/dbraw/zinc/23/74/21/1127237421.db2.gz BKYPXGLFNMXPJO-OAQYLSRUSA-N 2 1 330.516 3.618 20 0 EHADMP CC(C)CC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624110152 1127253355 /nfs/dbraw/zinc/25/33/55/1127253355.db2.gz QQHCTLJOKZYXST-BURNTYAHSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120771 1127255648 /nfs/dbraw/zinc/25/56/48/1127255648.db2.gz GVEBHIFPXROGIJ-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000624120771 1127255651 /nfs/dbraw/zinc/25/56/51/1127255651.db2.gz GVEBHIFPXROGIJ-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120771 1127255652 /nfs/dbraw/zinc/25/56/52/1127255652.db2.gz GVEBHIFPXROGIJ-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120818 1127255683 /nfs/dbraw/zinc/25/56/83/1127255683.db2.gz HPFCCWZCAIQNAI-CHWSQXEVSA-N 2 1 330.394 3.810 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120818 1127255686 /nfs/dbraw/zinc/25/56/86/1127255686.db2.gz HPFCCWZCAIQNAI-CHWSQXEVSA-N 2 1 330.394 3.810 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120818 1127255687 /nfs/dbraw/zinc/25/56/87/1127255687.db2.gz HPFCCWZCAIQNAI-CHWSQXEVSA-N 2 1 330.394 3.810 20 0 EHADMP COc1cccc(CCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185682153 1127430033 /nfs/dbraw/zinc/43/00/33/1127430033.db2.gz FZWDFMYLLVBDRL-HKUYNNGSSA-N 2 1 330.516 3.870 20 0 EHADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380275223 1127435851 /nfs/dbraw/zinc/43/58/51/1127435851.db2.gz AKBKDLZUJIFNKW-UXLLHSPISA-N 2 1 337.305 3.832 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298321 1127460685 /nfs/dbraw/zinc/46/06/85/1127460685.db2.gz OWHRXZZDRDUJLT-ROUUACIJSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298321 1127460687 /nfs/dbraw/zinc/46/06/87/1127460687.db2.gz OWHRXZZDRDUJLT-ROUUACIJSA-N 2 1 326.488 3.787 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292543 1127595284 /nfs/dbraw/zinc/59/52/84/1127595284.db2.gz WAMGDFWLHIMGCH-SJLPKXTDSA-N 2 1 326.488 3.563 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292543 1127595289 /nfs/dbraw/zinc/59/52/89/1127595289.db2.gz WAMGDFWLHIMGCH-SJLPKXTDSA-N 2 1 326.488 3.563 20 0 EHADMP c1nn(C2CCC2)cc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000921621420 1127869404 /nfs/dbraw/zinc/86/94/04/1127869404.db2.gz YWMKEGWSWAHMJE-UHFFFAOYSA-N 2 1 330.520 3.742 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000624308813 1127891737 /nfs/dbraw/zinc/89/17/37/1127891737.db2.gz YGPJOCIQXWYFBU-IXDOHACOSA-N 2 1 326.406 3.754 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccn(C)n1 ZINC000542670072 1127897870 /nfs/dbraw/zinc/89/78/70/1127897870.db2.gz CMXVISGJESEENT-IBGZPJMESA-N 2 1 326.488 3.647 20 0 EHADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(OCc2ccccc2)cc[nH+]1 ZINC001168593011 1128196609 /nfs/dbraw/zinc/19/66/09/1128196609.db2.gz FNGZZAKHCIIODC-OALUTQOASA-N 2 1 325.456 3.945 20 0 EHADMP Cc1nc(-c2ccc(NC(=O)CCCn3cc[nH+]c3C)cc2)[nH]c1C ZINC000921661574 1128439955 /nfs/dbraw/zinc/43/99/55/1128439955.db2.gz IRDISTOHAZXMEP-UHFFFAOYSA-N 2 1 337.427 3.617 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cnn(C2CCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000921811926 1128781826 /nfs/dbraw/zinc/78/18/26/1128781826.db2.gz QVQSYPBGTRXODQ-KRWDZBQOSA-N 2 1 326.488 3.608 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cnn(C2CCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000921811926 1128781828 /nfs/dbraw/zinc/78/18/28/1128781828.db2.gz QVQSYPBGTRXODQ-KRWDZBQOSA-N 2 1 326.488 3.608 20 0 EHADMP CC(C)[C@H](CNC1CC[NH+](C(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542909025 1128829784 /nfs/dbraw/zinc/82/97/84/1128829784.db2.gz WTANHPCACSINBG-QFIPXVFZSA-N 2 1 343.559 3.532 20 0 EHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000542909025 1128829788 /nfs/dbraw/zinc/82/97/88/1128829788.db2.gz WTANHPCACSINBG-QFIPXVFZSA-N 2 1 343.559 3.532 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001648814382 1120046751 /nfs/dbraw/zinc/04/67/51/1120046751.db2.gz KKICHGYNLBZVMP-UGKGYDQZSA-N 2 1 343.559 3.740 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC001648828592 1120050688 /nfs/dbraw/zinc/05/06/88/1120050688.db2.gz KGGULYOYYFIZGD-NSHDSACASA-N 2 1 331.685 3.534 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185469989 1120415866 /nfs/dbraw/zinc/41/58/66/1120415866.db2.gz VZDYPSIHKVGRSJ-UHFFFAOYSA-N 2 1 346.446 3.542 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465184 1120533374 /nfs/dbraw/zinc/53/33/74/1120533374.db2.gz AOCTZTUQJGVYKJ-SJORKVTESA-N 2 1 346.437 3.693 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465184 1120533377 /nfs/dbraw/zinc/53/33/77/1120533377.db2.gz AOCTZTUQJGVYKJ-SJORKVTESA-N 2 1 346.437 3.693 20 0 EHADMP Fc1cncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000494559869 1120594387 /nfs/dbraw/zinc/59/43/87/1120594387.db2.gz FHSFUACDQIZPTM-UHFFFAOYSA-N 2 1 327.447 3.887 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640760 1120711338 /nfs/dbraw/zinc/71/13/38/1120711338.db2.gz BZZNZEFAYJEMOU-QFBILLFUSA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640760 1120711342 /nfs/dbraw/zinc/71/13/42/1120711342.db2.gz BZZNZEFAYJEMOU-QFBILLFUSA-N 2 1 338.923 3.985 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000192843303 1120750953 /nfs/dbraw/zinc/75/09/53/1120750953.db2.gz IQYGTTLTGRPJJP-UHFFFAOYSA-N 2 1 335.580 3.839 20 0 EHADMP FC(F)Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192934286 1120753544 /nfs/dbraw/zinc/75/35/44/1120753544.db2.gz JKVHSSJRUOMZOE-SFHVURJKSA-N 2 1 346.421 3.900 20 0 EHADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000195293271 1120775153 /nfs/dbraw/zinc/77/51/53/1120775153.db2.gz YWYZUDATISFREJ-HXUWFJFHSA-N 2 1 337.467 3.524 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCC1 ZINC000495077108 1120946839 /nfs/dbraw/zinc/94/68/39/1120946839.db2.gz DESAKKPVCKUQBO-JOCHJYFZSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184871 1120982717 /nfs/dbraw/zinc/98/27/17/1120982717.db2.gz RRIRIVMLFTZXTN-XNJGSVPQSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184871 1120982721 /nfs/dbraw/zinc/98/27/21/1120982721.db2.gz RRIRIVMLFTZXTN-XNJGSVPQSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495432600 1121196008 /nfs/dbraw/zinc/19/60/08/1121196008.db2.gz JPKRRWPVPSYQRS-KSEOMHKRSA-N 2 1 349.522 3.766 20 0 EHADMP c1ccc(COc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000236726541 1121461202 /nfs/dbraw/zinc/46/12/02/1121461202.db2.gz SIGHKCFSGUGHBA-UHFFFAOYSA-N 2 1 336.479 3.982 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000762926394 1121526195 /nfs/dbraw/zinc/52/61/95/1121526195.db2.gz QFMYFZGTMQJPBL-SFTDATJTSA-N 2 1 341.499 3.950 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000762926394 1121526201 /nfs/dbraw/zinc/52/62/01/1121526201.db2.gz QFMYFZGTMQJPBL-SFTDATJTSA-N 2 1 341.499 3.950 20 0 EHADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398022641 1121960954 /nfs/dbraw/zinc/96/09/54/1121960954.db2.gz AUWCZZPQLCMDEH-GCJKJVERSA-N 2 1 338.495 3.833 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000125280801 1122310938 /nfs/dbraw/zinc/31/09/38/1122310938.db2.gz ZALRWOXSPFDKJH-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000125280801 1122310941 /nfs/dbraw/zinc/31/09/41/1122310941.db2.gz ZALRWOXSPFDKJH-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP Clc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000134131459 1123493593 /nfs/dbraw/zinc/49/35/93/1123493593.db2.gz XBULEQBKMHZWMT-UHFFFAOYSA-N 2 1 343.298 3.538 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423065 1123822327 /nfs/dbraw/zinc/82/23/27/1123822327.db2.gz JGBVZMYRLNOCJA-YJBOKZPZSA-N 2 1 329.513 3.972 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423065 1123822332 /nfs/dbraw/zinc/82/23/32/1123822332.db2.gz JGBVZMYRLNOCJA-YJBOKZPZSA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423065 1123822336 /nfs/dbraw/zinc/82/23/36/1123822336.db2.gz JGBVZMYRLNOCJA-YJBOKZPZSA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423065 1123822339 /nfs/dbraw/zinc/82/23/39/1123822339.db2.gz JGBVZMYRLNOCJA-YJBOKZPZSA-N 2 1 329.513 3.972 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245470888 1123843312 /nfs/dbraw/zinc/84/33/12/1123843312.db2.gz WWPYBXNYYDDKRI-DOXZYTNZSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245470888 1123843315 /nfs/dbraw/zinc/84/33/15/1123843315.db2.gz WWPYBXNYYDDKRI-DOXZYTNZSA-N 2 1 340.458 3.752 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000245668062 1123917423 /nfs/dbraw/zinc/91/74/23/1123917423.db2.gz GXSHDGZBGDJODD-YRPNKDGESA-N 2 1 330.516 3.833 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000180932299 1124105186 /nfs/dbraw/zinc/10/51/86/1124105186.db2.gz UUZXFPJXAGNYBD-LBPRGKRZSA-N 2 1 325.428 3.932 20 0 EHADMP c1ccc(CCOCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246475486 1124477453 /nfs/dbraw/zinc/47/74/53/1124477453.db2.gz GHEBYEUQQXSARC-RBBKRZOGSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246475486 1124477460 /nfs/dbraw/zinc/47/74/60/1124477460.db2.gz GHEBYEUQQXSARC-RBBKRZOGSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246475486 1124477464 /nfs/dbraw/zinc/47/74/64/1124477464.db2.gz GHEBYEUQQXSARC-RBBKRZOGSA-N 2 1 342.527 3.585 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589077 /nfs/dbraw/zinc/58/90/77/1124589077.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589080 /nfs/dbraw/zinc/58/90/80/1124589080.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589084 /nfs/dbraw/zinc/58/90/84/1124589084.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589088 /nfs/dbraw/zinc/58/90/88/1124589088.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589090 /nfs/dbraw/zinc/58/90/90/1124589090.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589094 /nfs/dbraw/zinc/58/90/94/1124589094.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589097 /nfs/dbraw/zinc/58/90/97/1124589097.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589102 /nfs/dbraw/zinc/58/91/02/1124589102.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000247114109 1124589106 /nfs/dbraw/zinc/58/91/06/1124589106.db2.gz QTJQJKBRQMRHQH-MOXWOTFGSA-N 2 1 343.559 3.879 20 0 EHADMP Cc1cc2cc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)oc2cc1C ZINC000247966990 1124631826 /nfs/dbraw/zinc/63/18/26/1124631826.db2.gz GYNJLYOICNFTCO-MJGOQNOKSA-N 2 1 344.499 3.937 20 0 EHADMP COCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248395665 1124656002 /nfs/dbraw/zinc/65/60/02/1124656002.db2.gz GLLBLDCFRLMPGV-PWRODBHTSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249194697 1124744633 /nfs/dbraw/zinc/74/46/33/1124744633.db2.gz QCWAHTIRGMCSRZ-SJLPKXTDSA-N 2 1 338.499 3.868 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249292698 1124751382 /nfs/dbraw/zinc/75/13/82/1124751382.db2.gz QETUBKAVKGNJSB-OKZBNKHCSA-N 2 1 338.442 3.506 20 0 EHADMP Cc1ccc2c(C)cc(NC3CC[NH+](C[C@H]4CCCO4)CC3)[nH+]c2c1 ZINC000763509341 1125230482 /nfs/dbraw/zinc/23/04/82/1125230482.db2.gz SCIYHAQWNRVGDD-GOSISDBHSA-N 2 1 339.483 3.907 20 0 EHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644901 1125281516 /nfs/dbraw/zinc/28/15/16/1125281516.db2.gz GLYKYLSCYZTKRN-CPUCHLNUSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644901 1125281519 /nfs/dbraw/zinc/28/15/19/1125281519.db2.gz GLYKYLSCYZTKRN-CPUCHLNUSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644901 1125281522 /nfs/dbraw/zinc/28/15/22/1125281522.db2.gz GLYKYLSCYZTKRN-CPUCHLNUSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000093644901 1125281525 /nfs/dbraw/zinc/28/15/25/1125281525.db2.gz GLYKYLSCYZTKRN-CPUCHLNUSA-N 2 1 339.321 3.967 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000182914353 1125401147 /nfs/dbraw/zinc/40/11/47/1125401147.db2.gz TZOCFIUAMTVQLD-ZWKOTPCHSA-N 3 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)ccc1OC ZINC000182914353 1125401149 /nfs/dbraw/zinc/40/11/49/1125401149.db2.gz TZOCFIUAMTVQLD-ZWKOTPCHSA-N 2 1 347.547 3.529 20 0 EHADMP C[NH+](C)CC[C@@H](N[C@@H]1CCOC2(CCCCC2)C1)c1cccnc1 ZINC000922628864 1129604303 /nfs/dbraw/zinc/60/43/03/1129604303.db2.gz GWIYUBXURQMCIB-RTBURBONSA-N 2 1 331.504 3.546 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC[N@@H+]1Cc1ccccc1 ZINC000922692846 1129628716 /nfs/dbraw/zinc/62/87/16/1129628716.db2.gz SIIRPDRILFWEHU-MJUUVYJYSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC[N@H+]1Cc1ccccc1 ZINC000922692846 1129628718 /nfs/dbraw/zinc/62/87/18/1129628718.db2.gz SIIRPDRILFWEHU-MJUUVYJYSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429012848 1129695699 /nfs/dbraw/zinc/69/56/99/1129695699.db2.gz VQZCBXJJDMODKW-OAQYLSRUSA-N 2 1 340.515 3.543 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429012848 1129695701 /nfs/dbraw/zinc/69/57/01/1129695701.db2.gz VQZCBXJJDMODKW-OAQYLSRUSA-N 2 1 340.515 3.543 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)CCOCC1 ZINC000482978039 1129753218 /nfs/dbraw/zinc/75/32/18/1129753218.db2.gz YTWAMRLWAOVJRR-OAQYLSRUSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc3nsnc32)C1 ZINC000766074334 1130197996 /nfs/dbraw/zinc/19/79/96/1130197996.db2.gz XEBANMCWOAPOKN-CVEARBPZSA-N 2 1 344.528 3.778 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781437 1130472257 /nfs/dbraw/zinc/47/22/57/1130472257.db2.gz ZQEMLBQAOMOWGE-CVDCTZTESA-N 2 1 349.522 3.645 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000675881432 1130500460 /nfs/dbraw/zinc/50/04/60/1130500460.db2.gz LGAJAYSZMCYFET-HGHGUNKESA-N 2 1 328.500 3.858 20 0 EHADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675883303 1130500752 /nfs/dbraw/zinc/50/07/52/1130500752.db2.gz ZKPHAYSSJLEZES-NNWRFLSQSA-N 2 1 342.527 3.631 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536838542 1130594255 /nfs/dbraw/zinc/59/42/55/1130594255.db2.gz HWGGKCNKIMAWJL-AAIMPIBUSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536838542 1130594257 /nfs/dbraw/zinc/59/42/57/1130594257.db2.gz HWGGKCNKIMAWJL-AAIMPIBUSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838542 1130594263 /nfs/dbraw/zinc/59/42/63/1130594263.db2.gz HWGGKCNKIMAWJL-AAIMPIBUSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838542 1130594266 /nfs/dbraw/zinc/59/42/66/1130594266.db2.gz HWGGKCNKIMAWJL-AAIMPIBUSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000536836677 1130594284 /nfs/dbraw/zinc/59/42/84/1130594284.db2.gz BHTCINWHMLPZIS-ZPMCFJSWSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000536836677 1130594289 /nfs/dbraw/zinc/59/42/89/1130594289.db2.gz BHTCINWHMLPZIS-ZPMCFJSWSA-N 2 1 341.543 3.806 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000347935606 1131093071 /nfs/dbraw/zinc/09/30/71/1131093071.db2.gz QARFDXMVTWIQJN-WFASDCNBSA-N 2 1 346.441 3.587 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000347935606 1131093076 /nfs/dbraw/zinc/09/30/76/1131093076.db2.gz QARFDXMVTWIQJN-WFASDCNBSA-N 2 1 346.441 3.587 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000348042975 1131135957 /nfs/dbraw/zinc/13/59/57/1131135957.db2.gz KILAPXGYIOUKIG-UHFFFAOYSA-N 2 1 346.906 3.756 20 0 EHADMP Cc1cc2ncn(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2cc1C ZINC000738272137 1131464497 /nfs/dbraw/zinc/46/44/97/1131464497.db2.gz PIIGIWVYQAMNEG-GOSISDBHSA-N 2 1 326.488 3.561 20 0 EHADMP Cc1cc2ncn(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2cc1C ZINC000738272137 1131464501 /nfs/dbraw/zinc/46/45/01/1131464501.db2.gz PIIGIWVYQAMNEG-GOSISDBHSA-N 2 1 326.488 3.561 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001172453453 1131748748 /nfs/dbraw/zinc/74/87/48/1131748748.db2.gz XWLQEXFKFOQKOC-SFHVURJKSA-N 2 1 334.504 3.771 20 0 EHADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@]3(C[NH3+])CN4CCC3CC4)CC2)CC1 ZINC001172585657 1131792793 /nfs/dbraw/zinc/79/27/93/1131792793.db2.gz FJAQTVBEFSDETN-YABXDMLJSA-N 2 1 347.591 3.774 20 0 EHADMP CC1(C)CC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)O1 ZINC001172653822 1131801036 /nfs/dbraw/zinc/80/10/36/1131801036.db2.gz SUCGJBWFIWGFCD-SAABIXHNSA-N 2 1 345.531 3.890 20 0 EHADMP c1c(CN2CCCC2)nc2n1CCN(C1CCC3(CCCC3)CC1)C2 ZINC001172725612 1131825829 /nfs/dbraw/zinc/82/58/29/1131825829.db2.gz GCIIYEWUZGUGEC-UHFFFAOYSA-N 2 1 342.531 3.798 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172772568 1131841256 /nfs/dbraw/zinc/84/12/56/1131841256.db2.gz MTKAZWDAGOMZMW-MSOLQXFVSA-N 2 1 326.525 3.600 20 0 EHADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@@H](OC)C1 ZINC001172926601 1131907664 /nfs/dbraw/zinc/90/76/64/1131907664.db2.gz CAXPYMCLGQEYCF-UAFMIMERSA-N 2 1 346.515 3.725 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172930803 1131908995 /nfs/dbraw/zinc/90/89/95/1131908995.db2.gz RVSCRWYVJGOBAR-LWYYNNOASA-N 2 1 334.479 3.855 20 0 EHADMP CO[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949439 1131926930 /nfs/dbraw/zinc/92/69/30/1131926930.db2.gz KCISYLDKIIVGDL-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949439 1131926934 /nfs/dbraw/zinc/92/69/34/1131926934.db2.gz KCISYLDKIIVGDL-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001173074482 1131957061 /nfs/dbraw/zinc/95/70/61/1131957061.db2.gz FYELGTSYWHBJCU-UKRRQHHQSA-N 2 1 330.394 3.590 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173108001 1131969395 /nfs/dbraw/zinc/96/93/95/1131969395.db2.gz AXERDGYNELNPTN-LZBANZJXSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC001173113392 1131970763 /nfs/dbraw/zinc/97/07/63/1131970763.db2.gz PCRTYXQFFITESY-UHFFFAOYSA-N 2 1 332.532 3.913 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)CC1 ZINC001173113866 1131971390 /nfs/dbraw/zinc/97/13/90/1131971390.db2.gz NHVQZIKLJILXMV-SOAGJPPSSA-N 2 1 345.531 3.886 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001173117612 1131972768 /nfs/dbraw/zinc/97/27/68/1131972768.db2.gz PGTDKAVJRJWOJM-QLOJAFMTSA-N 2 1 334.479 3.932 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001173117611 1131972786 /nfs/dbraw/zinc/97/27/86/1131972786.db2.gz PGTDKAVJRJWOJM-AFMYVXGZSA-N 2 1 334.479 3.932 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001173117718 1131973072 /nfs/dbraw/zinc/97/30/72/1131973072.db2.gz UQGUDKQDEZWWLD-GHBBCFCZSA-N 2 1 339.543 3.538 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001173117718 1131973076 /nfs/dbraw/zinc/97/30/76/1131973076.db2.gz UQGUDKQDEZWWLD-GHBBCFCZSA-N 2 1 339.543 3.538 20 0 EHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1COc2cccc(OC)c2C1 ZINC001173162482 1131989768 /nfs/dbraw/zinc/98/97/68/1131989768.db2.gz XVVFEGRIVFLGCS-SZMVWBNQSA-N 2 1 346.515 3.759 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001173436905 1132067847 /nfs/dbraw/zinc/06/78/47/1132067847.db2.gz GDGPWPKCOIRSEV-AZUAARDMSA-N 2 1 346.515 3.610 20 0 EHADMP COC(=O)CCCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445970 1132078551 /nfs/dbraw/zinc/07/85/51/1132078551.db2.gz QWRGEVLQIHOOCS-MISYRCLQSA-N 2 1 346.515 3.880 20 0 EHADMP CCC(CC)[N@H+](C1CCN(CC(F)(F)F)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173666363 1132115693 /nfs/dbraw/zinc/11/56/93/1132115693.db2.gz GFASQBJRGATLKU-KOMQPUFPSA-N 2 1 349.485 3.774 20 0 EHADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700905 1132128428 /nfs/dbraw/zinc/12/84/28/1132128428.db2.gz QNMNLHJKVKEFHJ-FQEVSTJZSA-N 2 1 347.462 3.693 20 0 EHADMP C[N@H+]1CCc2ccc(NC3=CCC[NH+](Cc4ccccc4)C3)cc2C1 ZINC001174395398 1132331051 /nfs/dbraw/zinc/33/10/51/1132331051.db2.gz VPNASSJZZSTEMI-UHFFFAOYSA-N 2 1 333.479 3.876 20 0 EHADMP C[NH+]1CCc2ccc(NC3=CCC[N@H+](Cc4ccccc4)C3)cc2C1 ZINC001174395398 1132331055 /nfs/dbraw/zinc/33/10/55/1132331055.db2.gz VPNASSJZZSTEMI-UHFFFAOYSA-N 2 1 333.479 3.876 20 0 EHADMP C[NH+]1CCc2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2C1 ZINC001174395398 1132331060 /nfs/dbraw/zinc/33/10/60/1132331060.db2.gz VPNASSJZZSTEMI-UHFFFAOYSA-N 2 1 333.479 3.876 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000381173756 1132474195 /nfs/dbraw/zinc/47/41/95/1132474195.db2.gz YHXFGRHIOQMYAB-FPOVZHCZSA-N 2 1 335.495 3.961 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000381173756 1132474202 /nfs/dbraw/zinc/47/42/02/1132474202.db2.gz YHXFGRHIOQMYAB-FPOVZHCZSA-N 2 1 335.495 3.961 20 0 EHADMP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001169067110 1132649966 /nfs/dbraw/zinc/64/99/66/1132649966.db2.gz GJEDHUWHUOIYPA-OAQYLSRUSA-N 2 1 337.511 3.989 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119912 1132663406 /nfs/dbraw/zinc/66/34/06/1132663406.db2.gz YKRCXBANGJAMIU-MXEMCNAFSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cccc(Br)c1)C2 ZINC001169108102 1132669208 /nfs/dbraw/zinc/66/92/08/1132669208.db2.gz OQLNGJKZQLFPAZ-PHZGNYQRSA-N 2 1 337.305 3.899 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115622 1132672551 /nfs/dbraw/zinc/67/25/51/1132672551.db2.gz LRILHAFXABFHBQ-GFXZNLHSSA-N 2 1 345.506 3.523 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115622 1132672555 /nfs/dbraw/zinc/67/25/55/1132672555.db2.gz LRILHAFXABFHBQ-GFXZNLHSSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115622 1132672559 /nfs/dbraw/zinc/67/25/59/1132672559.db2.gz LRILHAFXABFHBQ-GFXZNLHSSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115622 1132672561 /nfs/dbraw/zinc/67/25/61/1132672561.db2.gz LRILHAFXABFHBQ-GFXZNLHSSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115622 1132672566 /nfs/dbraw/zinc/67/25/66/1132672566.db2.gz LRILHAFXABFHBQ-GFXZNLHSSA-N 3 1 345.506 3.523 20 0 EHADMP CC1(C)C[C@H](Nc2[nH+]cccc2C2CCOCC2)C[C@](C)(C[NH3+])C1 ZINC001169149118 1132677982 /nfs/dbraw/zinc/67/79/82/1132677982.db2.gz YBVQXXBDWKAUES-JXFKEZNVSA-N 2 1 331.504 3.931 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](Cc3ccc4ccccc4c3)CC1)C2 ZINC001169153542 1132680347 /nfs/dbraw/zinc/68/03/47/1132680347.db2.gz JPLIJAYQKFMMFH-JKHIJQBDSA-N 2 1 349.522 3.583 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001169254482 1132710024 /nfs/dbraw/zinc/71/00/24/1132710024.db2.gz YGUIZGMDNWUZRK-PZJWPPBQSA-N 2 1 328.500 3.509 20 0 EHADMP CC[NH+]1CCC([N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001169254482 1132710027 /nfs/dbraw/zinc/71/00/27/1132710027.db2.gz YGUIZGMDNWUZRK-PZJWPPBQSA-N 2 1 328.500 3.509 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012317 1132774013 /nfs/dbraw/zinc/77/40/13/1132774013.db2.gz KMSVBIYUTCQJOH-GHMZBOCLSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012317 1132774019 /nfs/dbraw/zinc/77/40/19/1132774019.db2.gz KMSVBIYUTCQJOH-GHMZBOCLSA-N 2 1 335.801 3.561 20 0 EHADMP CC[N@@H+]1CC=C(c2cnc(NC(C)(C)CC[NH+](C)C)c(C)c2)CC1 ZINC001169715828 1132833301 /nfs/dbraw/zinc/83/33/01/1132833301.db2.gz KBXRKFCOGAXWMZ-UHFFFAOYSA-N 2 1 330.520 3.641 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CC3([C@H]4CCCCO4)CCC3)CC2)[nH+]c1C ZINC001176202471 1132871102 /nfs/dbraw/zinc/87/11/02/1132871102.db2.gz MVUZRECHNZTOGG-GOSISDBHSA-N 2 1 331.504 3.945 20 0 EHADMP CCc1[nH]c(CN2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(C)[nH+]1 ZINC001203248522 1132888971 /nfs/dbraw/zinc/88/89/71/1132888971.db2.gz SZQGDOUXJWUGRW-UHFFFAOYSA-N 2 1 344.478 3.516 20 0 EHADMP CCc1[nH]c(CN2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c(C)[nH+]1 ZINC001203248522 1132888981 /nfs/dbraw/zinc/88/89/81/1132888981.db2.gz SZQGDOUXJWUGRW-UHFFFAOYSA-N 2 1 344.478 3.516 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000768201150 1133106736 /nfs/dbraw/zinc/10/67/36/1133106736.db2.gz TWMRXHLIYMCNNU-UHFFFAOYSA-N 2 1 325.481 3.990 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000768201150 1133106742 /nfs/dbraw/zinc/10/67/42/1133106742.db2.gz TWMRXHLIYMCNNU-UHFFFAOYSA-N 2 1 325.481 3.990 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000768213999 1133113402 /nfs/dbraw/zinc/11/34/02/1133113402.db2.gz XXKGEJCIVOLQFT-UHFFFAOYSA-N 2 1 348.494 3.625 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001206311750 1133118267 /nfs/dbraw/zinc/11/82/67/1133118267.db2.gz UKVGJTJNDRBQEN-HNNXBMFYSA-N 2 1 334.357 3.675 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000768261461 1133118611 /nfs/dbraw/zinc/11/86/11/1133118611.db2.gz CZUHDLMLGARZPH-UHFFFAOYSA-N 2 1 337.261 3.736 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000768261461 1133118615 /nfs/dbraw/zinc/11/86/15/1133118615.db2.gz CZUHDLMLGARZPH-UHFFFAOYSA-N 2 1 337.261 3.736 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001206327493 1133166324 /nfs/dbraw/zinc/16/63/24/1133166324.db2.gz WZKXLAGWXPAJKQ-OAHLLOKOSA-N 2 1 336.348 3.935 20 0 EHADMP CC[NH+](CC)CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC001179804977 1133284830 /nfs/dbraw/zinc/28/48/30/1133284830.db2.gz CBIVIINSUKARSA-ACRUOGEOSA-N 2 1 329.532 3.676 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Br)c3)[C@H]2C1 ZINC001179818612 1133286837 /nfs/dbraw/zinc/28/68/37/1133286837.db2.gz ZCURULPCVWSBKQ-TUKIKUTGSA-N 2 1 343.696 3.532 20 0 EHADMP C[C@H](C[C@H](C)[NH2+]CC[N@H+](C)C1CCCCC1)NC(=O)OC(C)(C)C ZINC000769694848 1133331143 /nfs/dbraw/zinc/33/11/43/1133331143.db2.gz KWWCZBUCLQHIBO-JKSUJKDBSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@H](C[C@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1)NC(=O)OC(C)(C)C ZINC000769694848 1133331146 /nfs/dbraw/zinc/33/11/46/1133331146.db2.gz KWWCZBUCLQHIBO-JKSUJKDBSA-N 2 1 341.540 3.532 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cncc(Cl)c3Cl)C2)CC1 ZINC001181515355 1133501286 /nfs/dbraw/zinc/50/12/86/1133501286.db2.gz SVLVDFDBPYSGPG-ZDUSSCGKSA-N 2 1 328.287 3.552 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cncc(Cl)c3Cl)C2)CC1 ZINC001181515355 1133501290 /nfs/dbraw/zinc/50/12/90/1133501290.db2.gz SVLVDFDBPYSGPG-ZDUSSCGKSA-N 2 1 328.287 3.552 20 0 EHADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817892341 1133571307 /nfs/dbraw/zinc/57/13/07/1133571307.db2.gz SVHKRRLAORRVQK-NUEKZKHPSA-N 2 1 341.268 3.599 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C)ccc1OC ZINC000772452866 1133683088 /nfs/dbraw/zinc/68/30/88/1133683088.db2.gz ASGOKZMNJDKTKX-UYAOXDASSA-N 2 1 346.515 3.688 20 0 EHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001182826561 1133737624 /nfs/dbraw/zinc/73/76/24/1133737624.db2.gz SRUUVWUMQLUUDV-NSISKUIASA-N 2 1 330.516 3.558 20 0 EHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001183136179 1133773663 /nfs/dbraw/zinc/77/36/63/1133773663.db2.gz IBXBGBIUZKCABB-FQEVSTJZSA-N 2 1 343.515 3.534 20 0 EHADMP CC(C)[C@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccc(F)cc1 ZINC001170066593 1133937894 /nfs/dbraw/zinc/93/78/94/1133937894.db2.gz KMWOSENYKJXOLC-IBGZPJMESA-N 2 1 338.430 3.969 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000746672091 1133991128 /nfs/dbraw/zinc/99/11/28/1133991128.db2.gz LUFCZMFQTRKTJS-RXVVDRJESA-N 2 1 348.506 3.756 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000746672091 1133991131 /nfs/dbraw/zinc/99/11/31/1133991131.db2.gz LUFCZMFQTRKTJS-RXVVDRJESA-N 2 1 348.506 3.756 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc[nH]c(=O)c1 ZINC000788527694 1134144298 /nfs/dbraw/zinc/14/42/98/1134144298.db2.gz NZLGGQRWQUZEIX-DLBZAZTESA-N 2 1 339.483 3.870 20 0 EHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170119736 1134333773 /nfs/dbraw/zinc/33/37/73/1134333773.db2.gz BVDTYAONHJPSDJ-XLNTUCKNSA-N 2 1 344.499 3.734 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001170134426 1134408784 /nfs/dbraw/zinc/40/87/84/1134408784.db2.gz BYUMYGYXWMWAKB-KURKYZTESA-N 2 1 348.556 3.992 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001170140232 1134433762 /nfs/dbraw/zinc/43/37/62/1134433762.db2.gz WUSJUPBIWKIGSG-FGTMMUONSA-N 2 1 332.488 3.524 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CCC[N@@H+]2CC)ccc1OC ZINC000775363934 1134666823 /nfs/dbraw/zinc/66/68/23/1134666823.db2.gz KQZUQEOSUVBPCU-PXNSSMCTSA-N 3 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+]2CC)ccc1OC ZINC000775363934 1134666827 /nfs/dbraw/zinc/66/68/27/1134666827.db2.gz KQZUQEOSUVBPCU-PXNSSMCTSA-N 3 1 347.547 3.672 20 0 EHADMP CC[C@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192236 1134702894 /nfs/dbraw/zinc/70/28/94/1134702894.db2.gz JRUCLNTTYADDQG-MUGJNUQGSA-N 2 1 334.479 3.855 20 0 EHADMP CCc1cc(C[NH2+][C@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)on1 ZINC000775392780 1134710382 /nfs/dbraw/zinc/71/03/82/1134710382.db2.gz KJGNTQWEUQABDS-OAHLLOKOSA-N 2 1 345.487 3.938 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)CC1 ZINC001190650739 1134732975 /nfs/dbraw/zinc/73/29/75/1134732975.db2.gz FZYYJGJFEBWVKS-VQTJNVASSA-N 2 1 334.548 3.922 20 0 EHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001205545408 1134767406 /nfs/dbraw/zinc/76/74/06/1134767406.db2.gz GTHZVRGSUZXKLW-MRXNPFEDSA-N 2 1 343.284 3.535 20 0 EHADMP Cc1nccn1CCC[N@H+](C)Cc1cccc(C)c1Br ZINC001192349622 1135003761 /nfs/dbraw/zinc/00/37/61/1135003761.db2.gz RQLYOVWKXLIYSM-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C)c1Br ZINC001192349622 1135003769 /nfs/dbraw/zinc/00/37/69/1135003769.db2.gz RQLYOVWKXLIYSM-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC001192744692 1135049054 /nfs/dbraw/zinc/04/90/54/1135049054.db2.gz HOBHUHOOOGPGMP-RTWAWAEBSA-N 2 1 330.516 3.655 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205629234 1135133997 /nfs/dbraw/zinc/13/39/97/1135133997.db2.gz YRZUKOPHOMMDPB-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205629234 1135133999 /nfs/dbraw/zinc/13/39/99/1135133999.db2.gz YRZUKOPHOMMDPB-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP CN(CCC[N@@H+](C)CC1CCC(c2ccccc2)CC1)CC[NH+](C)C ZINC001194882064 1135334130 /nfs/dbraw/zinc/33/41/30/1135334130.db2.gz FTTXDGUJXZVHPT-UHFFFAOYSA-N 2 1 345.575 3.776 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CCO ZINC001195938732 1135486794 /nfs/dbraw/zinc/48/67/94/1135486794.db2.gz SMMDYWRPFDVHSK-WIYYLYMNSA-N 2 1 330.516 3.655 20 0 EHADMP CCN(CC)c1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000809739075 1135883589 /nfs/dbraw/zinc/88/35/89/1135883589.db2.gz WNIWZOGSKRRNPI-UHFFFAOYSA-N 2 1 346.544 3.683 20 0 EHADMP CCN(CC)c1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000809739075 1135883590 /nfs/dbraw/zinc/88/35/90/1135883590.db2.gz WNIWZOGSKRRNPI-UHFFFAOYSA-N 2 1 346.544 3.683 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000809754638 1135886334 /nfs/dbraw/zinc/88/63/34/1135886334.db2.gz LGYQTYRUWRUKPS-JKIFEVAISA-N 2 1 343.298 3.633 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810128738 1135924657 /nfs/dbraw/zinc/92/46/57/1135924657.db2.gz IUBMCUJYWYLJQG-KRWDZBQOSA-N 2 1 331.504 3.586 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001199743228 1135925593 /nfs/dbraw/zinc/92/55/93/1135925593.db2.gz SKDFLRIFVYUJMY-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001199743228 1135925595 /nfs/dbraw/zinc/92/55/95/1135925595.db2.gz SKDFLRIFVYUJMY-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP Nc1cccc2[nH+]cn(C3=C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c21 ZINC001201474240 1136032264 /nfs/dbraw/zinc/03/22/64/1136032264.db2.gz AQMOFHBBAIFVLB-SJORKVTESA-N 2 1 330.435 3.896 20 0 EHADMP Nc1cccc2[nH+]cn(C3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c21 ZINC001201474240 1136032268 /nfs/dbraw/zinc/03/22/68/1136032268.db2.gz AQMOFHBBAIFVLB-SJORKVTESA-N 2 1 330.435 3.896 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000106385587 1136092037 /nfs/dbraw/zinc/09/20/37/1136092037.db2.gz AUSSVNAZEFXRQK-UHFFFAOYSA-N 2 1 330.516 3.526 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811475292 1136095964 /nfs/dbraw/zinc/09/59/64/1136095964.db2.gz ZSWBWVSUTRRJCM-CYBMUJFWSA-N 2 1 330.303 3.990 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2c(n1)CCCC2 ZINC001202227035 1136113423 /nfs/dbraw/zinc/11/34/23/1136113423.db2.gz JOTRSUZGXJGAHE-FQEVSTJZSA-N 2 1 349.522 3.881 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001202368517 1136134598 /nfs/dbraw/zinc/13/45/98/1136134598.db2.gz OEBVQBUBYURWJD-IRXDYDNUSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001202368517 1136134599 /nfs/dbraw/zinc/13/45/99/1136134599.db2.gz OEBVQBUBYURWJD-IRXDYDNUSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001202368517 1136134600 /nfs/dbraw/zinc/13/46/00/1136134600.db2.gz OEBVQBUBYURWJD-IRXDYDNUSA-N 2 1 326.406 3.783 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3SCCS3)CC23CC3)cc1 ZINC000850402453 1136249961 /nfs/dbraw/zinc/24/99/61/1136249961.db2.gz LBEUZQQYMAHOCP-INIZCTEOSA-N 2 1 334.554 3.579 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3SCCS3)CC23CC3)cc1 ZINC000850402453 1136249965 /nfs/dbraw/zinc/24/99/65/1136249965.db2.gz LBEUZQQYMAHOCP-INIZCTEOSA-N 2 1 334.554 3.579 20 0 EHADMP C[C@H]1C[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789622 1136362411 /nfs/dbraw/zinc/36/24/11/1136362411.db2.gz VRIWBAHJHAZZTH-PAMCTJKJSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000813881662 1136371870 /nfs/dbraw/zinc/37/18/70/1136371870.db2.gz RLMJONJRCPVOHM-ZMWHVPEISA-N 2 1 328.500 3.729 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239929 1136520946 /nfs/dbraw/zinc/52/09/46/1136520946.db2.gz KLEMMBYVVLNATF-PXNSSMCTSA-N 2 1 328.500 3.784 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000816643267 1136743487 /nfs/dbraw/zinc/74/34/87/1136743487.db2.gz ZRDAYZAMWTULIZ-OAQYLSRUSA-N 2 1 327.516 3.595 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000816643267 1136743488 /nfs/dbraw/zinc/74/34/88/1136743488.db2.gz ZRDAYZAMWTULIZ-OAQYLSRUSA-N 2 1 327.516 3.595 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000816643267 1136743492 /nfs/dbraw/zinc/74/34/92/1136743492.db2.gz ZRDAYZAMWTULIZ-OAQYLSRUSA-N 2 1 327.516 3.595 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856551480 1136794345 /nfs/dbraw/zinc/79/43/45/1136794345.db2.gz SMCZLEHUXIGGAM-BBTUJRGHSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856551480 1136794348 /nfs/dbraw/zinc/79/43/48/1136794348.db2.gz SMCZLEHUXIGGAM-BBTUJRGHSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856551480 1136794350 /nfs/dbraw/zinc/79/43/50/1136794350.db2.gz SMCZLEHUXIGGAM-BBTUJRGHSA-N 2 1 345.531 3.813 20 0 EHADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC(C)C ZINC000817898839 1136844223 /nfs/dbraw/zinc/84/42/23/1136844223.db2.gz BPRAVQJBOHBQQS-LPHOPBHVSA-N 2 1 342.483 3.531 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)ccc1OC ZINC000817966475 1136853245 /nfs/dbraw/zinc/85/32/45/1136853245.db2.gz OLTDHRIJRVFKKK-UWJYYQICSA-N 2 1 347.547 3.577 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(C)c1OCc1ccccn1 ZINC000818431450 1136874643 /nfs/dbraw/zinc/87/46/43/1136874643.db2.gz NDQJXJSGVOQWCY-WOJBJXKFSA-N 2 1 339.483 3.637 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982443 1136896316 /nfs/dbraw/zinc/89/63/16/1136896316.db2.gz MLMAQIXZABZNKC-IFMALSPDSA-N 2 1 338.495 3.530 20 0 EHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015226 1136931360 /nfs/dbraw/zinc/93/13/60/1136931360.db2.gz SZHDFZPLRNJYLC-WOJBJXKFSA-N 2 1 343.515 3.677 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015226 1136931363 /nfs/dbraw/zinc/93/13/63/1136931363.db2.gz SZHDFZPLRNJYLC-WOJBJXKFSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015226 1136931365 /nfs/dbraw/zinc/93/13/65/1136931365.db2.gz SZHDFZPLRNJYLC-WOJBJXKFSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015226 1136931369 /nfs/dbraw/zinc/93/13/69/1136931369.db2.gz SZHDFZPLRNJYLC-WOJBJXKFSA-N 2 1 343.515 3.677 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC000858101619 1136939862 /nfs/dbraw/zinc/93/98/62/1136939862.db2.gz DJQRSEHQSRPRPS-LJQANCHMSA-N 2 1 329.532 3.682 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC000859213147 1137007938 /nfs/dbraw/zinc/00/79/38/1137007938.db2.gz SFJUYPLEYJAIHW-LJQANCHMSA-N 2 1 338.451 3.660 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664619 1137068852 /nfs/dbraw/zinc/06/88/52/1137068852.db2.gz UXZHLQJJFGUSCJ-DXCKQFNASA-N 2 1 345.314 3.831 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664619 1137068854 /nfs/dbraw/zinc/06/88/54/1137068854.db2.gz UXZHLQJJFGUSCJ-DXCKQFNASA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664619 1137068855 /nfs/dbraw/zinc/06/88/55/1137068855.db2.gz UXZHLQJJFGUSCJ-DXCKQFNASA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664619 1137068857 /nfs/dbraw/zinc/06/88/57/1137068857.db2.gz UXZHLQJJFGUSCJ-DXCKQFNASA-N 2 1 345.314 3.831 20 0 EHADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC001136941779 1137154396 /nfs/dbraw/zinc/15/43/96/1137154396.db2.gz GTWRBLHORJFSMH-QGZVFWFLSA-N 2 1 348.393 3.687 20 0 EHADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC001136941779 1137154397 /nfs/dbraw/zinc/15/43/97/1137154397.db2.gz GTWRBLHORJFSMH-QGZVFWFLSA-N 2 1 348.393 3.687 20 0 EHADMP FC1(F)C[C@@]12CCC[NH+](CCC[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442465 1137224204 /nfs/dbraw/zinc/22/42/04/1137224204.db2.gz YOCYQTFIAQJFON-GASCZTMLSA-N 2 1 334.401 3.619 20 0 EHADMP FC1(F)C[C@@]12CCC[N@@H+](CCC[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442465 1137224206 /nfs/dbraw/zinc/22/42/06/1137224206.db2.gz YOCYQTFIAQJFON-GASCZTMLSA-N 2 1 334.401 3.619 20 0 EHADMP FC1(F)C[C@@]12CCC[N@H+](CCC[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442465 1137224207 /nfs/dbraw/zinc/22/42/07/1137224207.db2.gz YOCYQTFIAQJFON-GASCZTMLSA-N 2 1 334.401 3.619 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001144135266 1137242669 /nfs/dbraw/zinc/24/26/69/1137242669.db2.gz VDGVLCOBOPQRSC-UHFFFAOYSA-N 2 1 328.834 3.926 20 0 EHADMP Cc1[nH+]cn(-c2ccc(NC(=O)CCCC[NH+]3CCCC3)cc2)c1C ZINC000794809427 1137261546 /nfs/dbraw/zinc/26/15/46/1137261546.db2.gz VYRMYCDUTDQGNX-UHFFFAOYSA-N 2 1 340.471 3.694 20 0 EHADMP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865831143 1137314725 /nfs/dbraw/zinc/31/47/25/1137314725.db2.gz SYVDPCDFKMSISG-HCXYKTFWSA-N 2 1 334.891 3.777 20 0 EHADMP c1ccc(CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230005 1137336760 /nfs/dbraw/zinc/33/67/60/1137336760.db2.gz VHTWGQGHAYWFRL-DENIHFKCSA-N 2 1 335.495 3.829 20 0 EHADMP c1ccc(CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230005 1137336762 /nfs/dbraw/zinc/33/67/62/1137336762.db2.gz VHTWGQGHAYWFRL-DENIHFKCSA-N 2 1 335.495 3.829 20 0 EHADMP C[C@H](CCc1cncc2ccccc21)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000866373638 1137350444 /nfs/dbraw/zinc/35/04/44/1137350444.db2.gz OTYYTQYFOUBKFC-QZTJIDSGSA-N 2 1 325.500 3.877 20 0 EHADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866453554 1137356142 /nfs/dbraw/zinc/35/61/42/1137356142.db2.gz ZEGCYJZXWHAOJG-MVCQKVDPSA-N 2 1 325.500 3.714 20 0 EHADMP C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866513039 1137360566 /nfs/dbraw/zinc/36/05/66/1137360566.db2.gz RKMSYFPDPGFVIU-ZHNGQKSSSA-N 2 1 342.527 3.692 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705356 1137374488 /nfs/dbraw/zinc/37/44/88/1137374488.db2.gz YLPKAPSLNOFRQW-IIBYNOLFSA-N 2 1 345.531 3.834 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705356 1137374490 /nfs/dbraw/zinc/37/44/90/1137374490.db2.gz YLPKAPSLNOFRQW-IIBYNOLFSA-N 2 1 345.531 3.834 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001171290804 1137396486 /nfs/dbraw/zinc/39/64/86/1137396486.db2.gz BIUYIHBWANDUMR-INIZCTEOSA-N 2 1 344.886 3.667 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001171290804 1137396487 /nfs/dbraw/zinc/39/64/87/1137396487.db2.gz BIUYIHBWANDUMR-INIZCTEOSA-N 2 1 344.886 3.667 20 0 EHADMP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000772979280 1137400094 /nfs/dbraw/zinc/40/00/94/1137400094.db2.gz IDQIUXOCBVVKAF-SLFFLAALSA-N 2 1 334.548 3.970 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)CCC[NH+]1CCCC1)CC2 ZINC001171321834 1137418627 /nfs/dbraw/zinc/41/86/27/1137418627.db2.gz QCLUKVPXNTWDJE-OAHLLOKOSA-N 2 1 336.907 3.624 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171326213 1137420394 /nfs/dbraw/zinc/42/03/94/1137420394.db2.gz LFPLDDNCFKPFFT-CQSZACIVSA-N 2 1 345.874 3.742 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH]c2ncccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096480 1137439993 /nfs/dbraw/zinc/43/99/93/1137439993.db2.gz MHYCLWYLDRXJSG-PXNSSMCTSA-N 2 1 348.494 3.606 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282744648 1137444967 /nfs/dbraw/zinc/44/49/67/1137444967.db2.gz NKOWDZDYJITKKF-VMXMFDLUSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171380598 1137464887 /nfs/dbraw/zinc/46/48/87/1137464887.db2.gz OOYRCGNDPUBYLC-GOSISDBHSA-N 2 1 336.470 3.874 20 0 EHADMP OCCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714960430 1137474806 /nfs/dbraw/zinc/47/48/06/1137474806.db2.gz JBKGIVZGOJRQLI-RTWAWAEBSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714960430 1137474807 /nfs/dbraw/zinc/47/48/07/1137474807.db2.gz JBKGIVZGOJRQLI-RTWAWAEBSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714960430 1137474808 /nfs/dbraw/zinc/47/48/08/1137474808.db2.gz JBKGIVZGOJRQLI-RTWAWAEBSA-N 2 1 330.516 3.526 20 0 EHADMP CC(C)OCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716688807 1137488722 /nfs/dbraw/zinc/48/87/22/1137488722.db2.gz BCAVXFAZMFXLFQ-HBMCJLEFSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171754287 1137508331 /nfs/dbraw/zinc/50/83/31/1137508331.db2.gz BLZQKOBGHGBESQ-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001171754287 1137508332 /nfs/dbraw/zinc/50/83/32/1137508332.db2.gz BLZQKOBGHGBESQ-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754287 1137508334 /nfs/dbraw/zinc/50/83/34/1137508334.db2.gz BLZQKOBGHGBESQ-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754287 1137508336 /nfs/dbraw/zinc/50/83/36/1137508336.db2.gz BLZQKOBGHGBESQ-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@H]1C[C@@H](n2cncc2-c2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171739327 1137510796 /nfs/dbraw/zinc/51/07/96/1137510796.db2.gz BXQIFAQDTHITCL-LAUBAEHRSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](CC(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738184 1137510833 /nfs/dbraw/zinc/51/08/33/1137510833.db2.gz GTUCZOHCRMQGDA-GHTZIAJQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)N([C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C[NH3+] ZINC001171975819 1137525052 /nfs/dbraw/zinc/52/50/52/1137525052.db2.gz GEWGCKAEZUHLOW-LJQANCHMSA-N 2 1 331.548 3.877 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977226 1137525345 /nfs/dbraw/zinc/52/53/45/1137525345.db2.gz ZFVAJFBMQQCOGM-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976142 1137525354 /nfs/dbraw/zinc/52/53/54/1137525354.db2.gz PVQKFOQNYWUAQO-QHAWAJNXSA-N 2 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976142 1137525356 /nfs/dbraw/zinc/52/53/56/1137525356.db2.gz PVQKFOQNYWUAQO-QHAWAJNXSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976142 1137525358 /nfs/dbraw/zinc/52/53/58/1137525358.db2.gz PVQKFOQNYWUAQO-QHAWAJNXSA-N 3 1 343.559 3.892 20 0 EHADMP COC[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976393 1137525470 /nfs/dbraw/zinc/52/54/70/1137525470.db2.gz KUGMBDPVGOTZOK-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976393 1137525471 /nfs/dbraw/zinc/52/54/71/1137525471.db2.gz KUGMBDPVGOTZOK-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@@H]1CCCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976393 1137525472 /nfs/dbraw/zinc/52/54/72/1137525472.db2.gz KUGMBDPVGOTZOK-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@@H]1CCCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976393 1137525474 /nfs/dbraw/zinc/52/54/74/1137525474.db2.gz KUGMBDPVGOTZOK-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CCCC[N@@H+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172061005 1137528768 /nfs/dbraw/zinc/52/87/68/1137528768.db2.gz DQCOKNOMFYKAJR-KOUNCHBCSA-N 2 1 343.559 3.894 20 0 EHADMP CCCC[NH+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061005 1137528769 /nfs/dbraw/zinc/52/87/69/1137528769.db2.gz DQCOKNOMFYKAJR-KOUNCHBCSA-N 2 1 343.559 3.894 20 0 EHADMP CCCC[NH+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061005 1137528770 /nfs/dbraw/zinc/52/87/70/1137528770.db2.gz DQCOKNOMFYKAJR-KOUNCHBCSA-N 2 1 343.559 3.894 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C2 ZINC001172101122 1137531058 /nfs/dbraw/zinc/53/10/58/1137531058.db2.gz WPMILZOAOXEQAW-BJWYYQGGSA-N 2 1 326.406 3.853 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001172089321 1137532186 /nfs/dbraw/zinc/53/21/86/1137532186.db2.gz QZAZQBRYYNPNBQ-BWTSREIZSA-N 2 1 328.525 3.621 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001172089321 1137532188 /nfs/dbraw/zinc/53/21/88/1137532188.db2.gz QZAZQBRYYNPNBQ-BWTSREIZSA-N 2 1 328.525 3.621 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063522 1137532835 /nfs/dbraw/zinc/53/28/35/1137532835.db2.gz BAAJQFQQVYBEED-LRGNLBRXSA-N 2 1 336.483 3.713 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063522 1137532837 /nfs/dbraw/zinc/53/28/37/1137532837.db2.gz BAAJQFQQVYBEED-LRGNLBRXSA-N 2 1 336.483 3.713 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001172099702 1137532851 /nfs/dbraw/zinc/53/28/51/1137532851.db2.gz MWCKRRNQGHLZOJ-BTTYYORXSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001172099702 1137532853 /nfs/dbraw/zinc/53/28/53/1137532853.db2.gz MWCKRRNQGHLZOJ-BTTYYORXSA-N 2 1 341.268 3.693 20 0 EHADMP CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001172069235 1137534291 /nfs/dbraw/zinc/53/42/91/1137534291.db2.gz SHESFQQWMZUJPR-ACDBMABISA-N 2 1 328.500 3.731 20 0 EHADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001172107011 1137537137 /nfs/dbraw/zinc/53/71/37/1137537137.db2.gz SFNSGMUUKQXRET-QDMKHBRRSA-N 2 1 342.405 3.819 20 0 EHADMP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113800 1137537393 /nfs/dbraw/zinc/53/73/93/1137537393.db2.gz MLXACDILQNMNFL-IJXRJRJASA-N 2 1 330.516 3.963 20 0 EHADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113800 1137537395 /nfs/dbraw/zinc/53/73/95/1137537395.db2.gz MLXACDILQNMNFL-IJXRJRJASA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113800 1137537396 /nfs/dbraw/zinc/53/73/96/1137537396.db2.gz MLXACDILQNMNFL-IJXRJRJASA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113800 1137537398 /nfs/dbraw/zinc/53/73/98/1137537398.db2.gz MLXACDILQNMNFL-IJXRJRJASA-N 2 1 330.516 3.963 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3)CCOCC1)C2 ZINC001172112111 1137537642 /nfs/dbraw/zinc/53/76/42/1137537642.db2.gz RQKKRHXKIOZFPP-MZADTFQBSA-N 2 1 342.527 3.631 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Oc3ccccn3)cc1)C2 ZINC001172112373 1137537787 /nfs/dbraw/zinc/53/77/87/1137537787.db2.gz VXTCOUHNNLAORO-LDLYASANSA-N 2 1 337.467 3.979 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)C2 ZINC001172119221 1137538571 /nfs/dbraw/zinc/53/85/71/1137538571.db2.gz WFPMZTHPFWLAQX-OWZKRDHZSA-N 2 1 327.516 3.782 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Sc3ccncc3)CC1)C2 ZINC001172123629 1137538753 /nfs/dbraw/zinc/53/87/53/1137538753.db2.gz HFVZCXDWDNMTAL-BJWYYQGGSA-N 2 1 331.529 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Sc3ccncc3)CC1)C2 ZINC001172123629 1137538755 /nfs/dbraw/zinc/53/87/55/1137538755.db2.gz HFVZCXDWDNMTAL-BJWYYQGGSA-N 2 1 331.529 3.653 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CSc2ccccc2C1 ZINC001172207149 1137541025 /nfs/dbraw/zinc/54/10/25/1137541025.db2.gz CETFMIUDQNUHBK-SFHVURJKSA-N 2 1 339.508 3.665 20 0 EHADMP Cc1ccc(C[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172235492 1137544197 /nfs/dbraw/zinc/54/41/97/1137544197.db2.gz HIOUAOZUSLWPSO-YRMMNHGISA-N 2 1 326.484 3.553 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2F)C2CCC2)CC1 ZINC001172246505 1137544448 /nfs/dbraw/zinc/54/44/48/1137544448.db2.gz KXQOVLSNFLXELT-FQEVSTJZSA-N 2 1 334.479 3.757 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001172327381 1137546272 /nfs/dbraw/zinc/54/62/72/1137546272.db2.gz DXPSQUHHIPBDFV-IRXDYDNUSA-N 2 1 334.504 3.539 20 0 EHADMP C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C[C@H]1C ZINC001172375273 1137549608 /nfs/dbraw/zinc/54/96/08/1137549608.db2.gz GAAWGOQLGISEHE-GUDVDZBRSA-N 2 1 344.547 3.552 20 0 EHADMP CC(C)O[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000871784444 1137558127 /nfs/dbraw/zinc/55/81/27/1137558127.db2.gz FTKHIBKTYWUKFX-XVLXNVKGSA-N 2 1 345.487 3.524 20 0 EHADMP CC(C)O[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000871784444 1137558128 /nfs/dbraw/zinc/55/81/28/1137558128.db2.gz FTKHIBKTYWUKFX-XVLXNVKGSA-N 2 1 345.487 3.524 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1F ZINC000872021763 1137565310 /nfs/dbraw/zinc/56/53/10/1137565310.db2.gz ULPRDFINEMXVDA-HNNXBMFYSA-N 2 1 328.431 3.978 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCOC3(CCCC3)C1)C2 ZINC000872022319 1137565319 /nfs/dbraw/zinc/56/53/19/1137565319.db2.gz XGSSFUZJRPXXSA-HXUWFJFHSA-N 2 1 328.500 3.516 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCOC3(CCCC3)C1)C2 ZINC000872022319 1137565320 /nfs/dbraw/zinc/56/53/20/1137565320.db2.gz XGSSFUZJRPXXSA-HXUWFJFHSA-N 2 1 328.500 3.516 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872069283 1137569463 /nfs/dbraw/zinc/56/94/63/1137569463.db2.gz OLHTUCMRGIPLIW-ACRUOGEOSA-N 2 1 330.516 3.693 20 0 EHADMP CC1(C)CO[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000872106176 1137571322 /nfs/dbraw/zinc/57/13/22/1137571322.db2.gz OJQSHRCKKANSCS-IYWMVGAKSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000872146062 1137573971 /nfs/dbraw/zinc/57/39/71/1137573971.db2.gz DEHWRZKPMXTBNU-SFHVURJKSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)[nH]n1 ZINC000872146062 1137573972 /nfs/dbraw/zinc/57/39/72/1137573972.db2.gz DEHWRZKPMXTBNU-SFHVURJKSA-N 2 1 338.499 3.558 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)[nH]n1 ZINC000872146062 1137573973 /nfs/dbraw/zinc/57/39/73/1137573973.db2.gz DEHWRZKPMXTBNU-SFHVURJKSA-N 2 1 338.499 3.558 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000872147726 1137573981 /nfs/dbraw/zinc/57/39/81/1137573981.db2.gz KRNAQGABVPVIAV-GWCFXTLKSA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000872147726 1137573982 /nfs/dbraw/zinc/57/39/82/1137573982.db2.gz KRNAQGABVPVIAV-GWCFXTLKSA-N 2 1 338.826 3.501 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c(Cl)c1 ZINC000872155428 1137574133 /nfs/dbraw/zinc/57/41/33/1137574133.db2.gz RKILHCREZOSIDK-OAHLLOKOSA-N 2 1 339.911 3.735 20 0 EHADMP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)c1ccccc1 ZINC000873202904 1137593988 /nfs/dbraw/zinc/59/39/88/1137593988.db2.gz HUIKZCRHPNOMQC-HNNXBMFYSA-N 2 1 330.497 3.603 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1O ZINC000873231287 1137594450 /nfs/dbraw/zinc/59/44/50/1137594450.db2.gz CPENDUUQRRXOMW-QAPCUYQASA-N 2 1 332.488 3.520 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000876719011 1137659585 /nfs/dbraw/zinc/65/95/85/1137659585.db2.gz AXENAMYFWVNSAW-SCWSEQNSSA-N 2 1 341.499 3.532 20 0 EHADMP Fc1cccc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc12 ZINC000876755138 1137660405 /nfs/dbraw/zinc/66/04/05/1137660405.db2.gz KPQLNPVISLVGPU-GOSISDBHSA-N 2 1 327.447 3.824 20 0 EHADMP Fc1cccc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc12 ZINC000876755138 1137660406 /nfs/dbraw/zinc/66/04/06/1137660406.db2.gz KPQLNPVISLVGPU-GOSISDBHSA-N 2 1 327.447 3.824 20 0 EHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000876930458 1137665534 /nfs/dbraw/zinc/66/55/34/1137665534.db2.gz XCGHXLLWQHAAFR-MRXNPFEDSA-N 2 1 345.487 3.608 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000876938093 1137665788 /nfs/dbraw/zinc/66/57/88/1137665788.db2.gz PMEBFNVEUNIKBB-JIGPKXGUSA-N 2 1 332.469 3.810 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000876941332 1137665926 /nfs/dbraw/zinc/66/59/26/1137665926.db2.gz KLZCYFDKZKNZPE-OAHLLOKOSA-N 2 1 327.299 3.743 20 0 EHADMP Cc1ncc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877115605 1137670597 /nfs/dbraw/zinc/67/05/97/1137670597.db2.gz QKGSPVYBKNXNBD-FXAWDEMLSA-N 2 1 341.524 3.952 20 0 EHADMP Cc1ncc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877115605 1137670598 /nfs/dbraw/zinc/67/05/98/1137670598.db2.gz QKGSPVYBKNXNBD-FXAWDEMLSA-N 2 1 341.524 3.952 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000878662014 1137724239 /nfs/dbraw/zinc/72/42/39/1137724239.db2.gz KFQZNHALPGLHDZ-NJDAHSKKSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000878662014 1137724240 /nfs/dbraw/zinc/72/42/40/1137724240.db2.gz KFQZNHALPGLHDZ-NJDAHSKKSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000878662014 1137724241 /nfs/dbraw/zinc/72/42/41/1137724241.db2.gz KFQZNHALPGLHDZ-NJDAHSKKSA-N 2 1 328.500 3.715 20 0 EHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578643 1137751565 /nfs/dbraw/zinc/75/15/65/1137751565.db2.gz UXSVJVKYIOVSQA-SJLPKXTDSA-N 2 1 345.487 3.560 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578643 1137751566 /nfs/dbraw/zinc/75/15/66/1137751566.db2.gz UXSVJVKYIOVSQA-SJLPKXTDSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578643 1137751567 /nfs/dbraw/zinc/75/15/67/1137751567.db2.gz UXSVJVKYIOVSQA-SJLPKXTDSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578643 1137751568 /nfs/dbraw/zinc/75/15/68/1137751568.db2.gz UXSVJVKYIOVSQA-SJLPKXTDSA-N 2 1 345.487 3.560 20 0 EHADMP CC(C)C[N@H+](Cc1nnc(-c2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC000879702310 1137755607 /nfs/dbraw/zinc/75/56/07/1137755607.db2.gz JRENLSVNDGXSSR-UHFFFAOYSA-N 2 1 342.487 3.536 20 0 EHADMP CC(C)C[N@H+](Cc1noc(-c2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000879702152 1137755610 /nfs/dbraw/zinc/75/56/10/1137755610.db2.gz HZMFSLNCENYXGM-UHFFFAOYSA-N 2 1 342.487 3.536 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc(Br)n1 ZINC000880517585 1137780417 /nfs/dbraw/zinc/78/04/17/1137780417.db2.gz TVMZRTHZUUZPLH-UHFFFAOYSA-N 2 1 340.309 3.542 20 0 EHADMP Clc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001137167094 1137808243 /nfs/dbraw/zinc/80/82/43/1137808243.db2.gz VAXPNAHGVQKQSW-UHFFFAOYSA-N 2 1 345.874 3.816 20 0 EHADMP CC(C)c1c[nH]c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000883074918 1137843509 /nfs/dbraw/zinc/84/35/09/1137843509.db2.gz MRVBYTHLMJYACA-IEBWSBKVSA-N 2 1 340.515 3.923 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000348262705 1137886494 /nfs/dbraw/zinc/88/64/94/1137886494.db2.gz JZIKWFAZENLLQG-UHFFFAOYSA-N 2 1 343.805 3.968 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000348262705 1137886495 /nfs/dbraw/zinc/88/64/95/1137886495.db2.gz JZIKWFAZENLLQG-UHFFFAOYSA-N 2 1 343.805 3.968 20 0 EHADMP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000884193663 1137927261 /nfs/dbraw/zinc/92/72/61/1137927261.db2.gz MAIGUYFXUWRQLG-SFHVURJKSA-N 2 1 342.487 3.627 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000118983014 1137937126 /nfs/dbraw/zinc/93/71/26/1137937126.db2.gz WDWMAMOLAMVWNG-RQSWOZRGSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000118983014 1137937127 /nfs/dbraw/zinc/93/71/27/1137937127.db2.gz WDWMAMOLAMVWNG-RQSWOZRGSA-N 2 1 342.527 3.833 20 0 EHADMP FC(F)COc1ccccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000886011352 1138031927 /nfs/dbraw/zinc/03/19/27/1138031927.db2.gz ZINSPZYRGBAIHS-UHFFFAOYSA-N 2 1 338.442 3.827 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000886151756 1138052983 /nfs/dbraw/zinc/05/29/83/1138052983.db2.gz RWDRIRHQRKLDKK-NJYVYQBISA-N 2 1 342.527 3.803 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287071 1138064557 /nfs/dbraw/zinc/06/45/57/1138064557.db2.gz JHTMPGAVFRRCTB-PMACEKPBSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287071 1138064559 /nfs/dbraw/zinc/06/45/59/1138064559.db2.gz JHTMPGAVFRRCTB-PMACEKPBSA-N 2 1 340.511 3.732 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886507815 1138086117 /nfs/dbraw/zinc/08/61/17/1138086117.db2.gz ZOLGJSXBTWWXQP-SFHVURJKSA-N 2 1 326.419 3.869 20 0 EHADMP Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000886857983 1138159353 /nfs/dbraw/zinc/15/93/53/1138159353.db2.gz ISSTYNFYCKUIBW-INIZCTEOSA-N 2 1 341.524 3.552 20 0 EHADMP c1ccc(C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C2CC2)cc1 ZINC000089594139 1138201724 /nfs/dbraw/zinc/20/17/24/1138201724.db2.gz FVBXUPNFGQJWKW-NRFANRHFSA-N 2 1 342.527 3.632 20 0 EHADMP Fc1cccc(OC(F)(F)F)c1CNCc1ccc2cncn2c1 ZINC001202748903 1138269604 /nfs/dbraw/zinc/26/96/04/1138269604.db2.gz DQNAAMJRSZBQOI-UHFFFAOYSA-N 2 1 339.292 3.662 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126865759 1138340836 /nfs/dbraw/zinc/34/08/36/1138340836.db2.gz JQUNHSUEJQSRIA-LSDHHAIUSA-N 2 1 333.476 3.845 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126865759 1138340837 /nfs/dbraw/zinc/34/08/37/1138340837.db2.gz JQUNHSUEJQSRIA-LSDHHAIUSA-N 2 1 333.476 3.845 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccco2)CC1 ZINC000127269267 1138351710 /nfs/dbraw/zinc/35/17/10/1138351710.db2.gz FMXWTZMCFIZTKH-CVEARBPZSA-N 2 1 345.462 3.972 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1)C(C)C ZINC000337995805 1138719292 /nfs/dbraw/zinc/71/92/92/1138719292.db2.gz HRGUCKRYXBKOSK-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000337998475 1138720056 /nfs/dbraw/zinc/72/00/56/1138720056.db2.gz NOZGGYDVKXTROO-ZDUSSCGKSA-N 2 1 325.378 3.821 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000338281690 1138814716 /nfs/dbraw/zinc/81/47/16/1138814716.db2.gz MXUQUTOULYOBLP-OAHLLOKOSA-N 2 1 332.467 3.702 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137736079 1138873035 /nfs/dbraw/zinc/87/30/35/1138873035.db2.gz OXHQAXYAWIPQPT-IBGZPJMESA-N 2 1 345.531 3.686 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137736079 1138873045 /nfs/dbraw/zinc/87/30/45/1138873045.db2.gz OXHQAXYAWIPQPT-IBGZPJMESA-N 2 1 345.531 3.686 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137736079 1138873057 /nfs/dbraw/zinc/87/30/57/1138873057.db2.gz OXHQAXYAWIPQPT-IBGZPJMESA-N 2 1 345.531 3.686 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776981 1139441330 /nfs/dbraw/zinc/44/13/30/1139441330.db2.gz MCPWQJZLKNOXST-APWZRJJASA-N 2 1 342.483 3.572 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776981 1139441333 /nfs/dbraw/zinc/44/13/33/1139441333.db2.gz MCPWQJZLKNOXST-APWZRJJASA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776981 1139441338 /nfs/dbraw/zinc/44/13/38/1139441338.db2.gz MCPWQJZLKNOXST-APWZRJJASA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000174776981 1139441342 /nfs/dbraw/zinc/44/13/42/1139441342.db2.gz MCPWQJZLKNOXST-APWZRJJASA-N 2 1 342.483 3.572 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000177008183 1139592445 /nfs/dbraw/zinc/59/24/45/1139592445.db2.gz WGQYOLJXOCAYQU-CRAIPNDOSA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000177008183 1139592447 /nfs/dbraw/zinc/59/24/47/1139592447.db2.gz WGQYOLJXOCAYQU-CRAIPNDOSA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000177008183 1139592453 /nfs/dbraw/zinc/59/24/53/1139592453.db2.gz WGQYOLJXOCAYQU-CRAIPNDOSA-N 2 1 349.544 3.622 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc2ccccc21 ZINC000177302716 1139611585 /nfs/dbraw/zinc/61/15/85/1139611585.db2.gz DKYCSBXIRCRKJB-SFHVURJKSA-N 2 1 325.500 3.518 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[NH+](CC[C@@H]4CCC[N@@H+]4C)C3)nc2c1 ZINC000181163697 1139889930 /nfs/dbraw/zinc/88/99/30/1139889930.db2.gz DXQYJXMXIGFWHT-IRXDYDNUSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@@H]4CCC[NH+]4C)C3)nc2c1 ZINC000181163697 1139889936 /nfs/dbraw/zinc/88/99/36/1139889936.db2.gz DXQYJXMXIGFWHT-IRXDYDNUSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@@H]4CCC[NH+]4C)C3)nc2c1 ZINC000181163697 1139889944 /nfs/dbraw/zinc/88/99/44/1139889944.db2.gz DXQYJXMXIGFWHT-IRXDYDNUSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@@H]4CCC[N@H+]4C)C3)[nH]c2c1 ZINC000181163697 1139889949 /nfs/dbraw/zinc/88/99/49/1139889949.db2.gz DXQYJXMXIGFWHT-IRXDYDNUSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@@H]4CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000181163697 1139889953 /nfs/dbraw/zinc/88/99/53/1139889953.db2.gz DXQYJXMXIGFWHT-IRXDYDNUSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000181163697 1139889959 /nfs/dbraw/zinc/88/99/59/1139889959.db2.gz DXQYJXMXIGFWHT-IRXDYDNUSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000181163697 1139889968 /nfs/dbraw/zinc/88/99/68/1139889968.db2.gz DXQYJXMXIGFWHT-IRXDYDNUSA-N 2 1 326.488 3.535 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(F)c1F ZINC000183246862 1140024003 /nfs/dbraw/zinc/02/40/03/1140024003.db2.gz UMSKSIWJYIIALD-CQSZACIVSA-N 2 1 334.410 3.756 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@H](C)C1 ZINC000186368374 1140200394 /nfs/dbraw/zinc/20/03/94/1140200394.db2.gz MATIZNLGFLLGQU-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccnn1C ZINC000192680611 1140543751 /nfs/dbraw/zinc/54/37/51/1140543751.db2.gz UJNRXEPGXYMUGY-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000192683410 1140544066 /nfs/dbraw/zinc/54/40/66/1140544066.db2.gz BFABGBPBWHSGRN-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000194070737 1140596520 /nfs/dbraw/zinc/59/65/20/1140596520.db2.gz PRVXTTINIIMTKY-GHRYLNIYSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000194070737 1140596526 /nfs/dbraw/zinc/59/65/26/1140596526.db2.gz PRVXTTINIIMTKY-GHRYLNIYSA-N 2 1 340.511 3.587 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000266392853 1140679976 /nfs/dbraw/zinc/67/99/76/1140679976.db2.gz CKYZGNPPOJWSFC-JOCHJYFZSA-N 2 1 338.495 3.591 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789494 1140993160 /nfs/dbraw/zinc/99/31/60/1140993160.db2.gz TXQYFGWXGCHFIL-KGLIPLIRSA-N 2 1 330.394 3.620 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268834757 1141004946 /nfs/dbraw/zinc/00/49/46/1141004946.db2.gz GHHYBPLMQXAERG-ZDUSSCGKSA-N 2 1 341.484 3.759 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268844669 1141007289 /nfs/dbraw/zinc/00/72/89/1141007289.db2.gz ONHDZACWNLPDGM-IAGOWNOFSA-N 2 1 346.519 3.599 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1 ZINC000269027639 1141050201 /nfs/dbraw/zinc/05/02/01/1141050201.db2.gz QWNQVQVFDNQGSS-STQMWFEESA-N 2 1 341.377 3.799 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270339300 1141208607 /nfs/dbraw/zinc/20/86/07/1141208607.db2.gz OBYLDEDKMIOQPW-GUYCJALGSA-N 2 1 345.314 3.691 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402505 1141218668 /nfs/dbraw/zinc/21/86/68/1141218668.db2.gz AHLZOWSTHJQZED-FGSXEWAUSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402505 1141218673 /nfs/dbraw/zinc/21/86/73/1141218673.db2.gz AHLZOWSTHJQZED-FGSXEWAUSA-N 2 1 338.495 3.883 20 0 EHADMP Fc1ccc(CN2CCC(c3ncc[nH]3)CC2)c(C(F)(F)F)c1 ZINC000271209579 1141326099 /nfs/dbraw/zinc/32/60/99/1141326099.db2.gz UQRILOICNIOVDE-UHFFFAOYSA-N 2 1 327.325 3.947 20 0 EHADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@H]4CCC[NH+]4C)CC3)c2c1 ZINC000271340196 1141348037 /nfs/dbraw/zinc/34/80/37/1141348037.db2.gz WYLVWGSDGDFATG-QGZVFWFLSA-N 2 1 339.483 3.750 20 0 EHADMP COc1ccc2[nH]cc(C3=CC[NH+](CC[C@H]4CCC[N@@H+]4C)CC3)c2c1 ZINC000271340196 1141348043 /nfs/dbraw/zinc/34/80/43/1141348043.db2.gz WYLVWGSDGDFATG-QGZVFWFLSA-N 2 1 339.483 3.750 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271438495 1141366474 /nfs/dbraw/zinc/36/64/74/1141366474.db2.gz CAFNBZBVUKLYJZ-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271438495 1141366481 /nfs/dbraw/zinc/36/64/81/1141366481.db2.gz CAFNBZBVUKLYJZ-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271505411 1141383165 /nfs/dbraw/zinc/38/31/65/1141383165.db2.gz MRBSURVDNMRONG-QINHECLXSA-N 2 1 341.499 3.895 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271551321 1141395568 /nfs/dbraw/zinc/39/55/68/1141395568.db2.gz VXDFXQSXXZMTCP-SFDCBXKLSA-N 2 1 343.298 3.632 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OCC(C)C ZINC000271648171 1141412807 /nfs/dbraw/zinc/41/28/07/1141412807.db2.gz IPLSYSUYIAHCPQ-HNNXBMFYSA-N 2 1 331.460 3.586 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000283267854 1141581426 /nfs/dbraw/zinc/58/14/26/1141581426.db2.gz LALKYIRRGHCRRU-NQIIRXRSSA-N 2 1 347.522 3.625 20 0 EHADMP CC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348960410 1141615411 /nfs/dbraw/zinc/61/54/11/1141615411.db2.gz BYPQVYAPVFMXQJ-UHFFFAOYSA-N 2 1 348.494 3.956 20 0 EHADMP CC[N@@H+](Cc1ccc(COC)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348971351 1141617646 /nfs/dbraw/zinc/61/76/46/1141617646.db2.gz YLYJXCPSCCLCDI-UHFFFAOYSA-N 2 1 326.484 3.917 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643712 202023542 /nfs/dbraw/zinc/02/35/42/202023542.db2.gz VHFKCYBQLDTKLS-XJKSGUPXSA-N 2 1 325.294 3.832 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([NH3+])C3)CC2)nc1 ZINC001164386884 718802696 /nfs/dbraw/zinc/80/26/96/718802696.db2.gz GOWQFAZQCZWVBW-LJQANCHMSA-N 2 1 342.531 3.726 20 0 EHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164449152 718991763 /nfs/dbraw/zinc/99/17/63/718991763.db2.gz LVNUXCVIRSJJHP-LJQANCHMSA-N 2 1 339.487 3.544 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164449152 718991769 /nfs/dbraw/zinc/99/17/69/718991769.db2.gz LVNUXCVIRSJJHP-LJQANCHMSA-N 2 1 339.487 3.544 20 0 EHADMP OCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000278705761 1032068888 /nfs/dbraw/zinc/06/88/88/1032068888.db2.gz LIGTYDFAUXCMRF-WKCHPHFGSA-N 2 1 342.527 3.714 20 0 EHADMP CC[C@@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000339490972 1014579658 /nfs/dbraw/zinc/57/96/58/1014579658.db2.gz SWQCCUSWVZTSOW-QUCCMNQESA-N 2 1 330.516 3.551 20 0 EHADMP CCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000274894727 1015593354 /nfs/dbraw/zinc/59/33/54/1015593354.db2.gz JZRBIIVHYOBGEF-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657838043 1032126864 /nfs/dbraw/zinc/12/68/64/1032126864.db2.gz NBRPRGAKEXLEIU-PXNSSMCTSA-N 2 1 328.500 3.720 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000275154855 1016097740 /nfs/dbraw/zinc/09/77/40/1016097740.db2.gz ORFMXKZQPLCHCP-UHFFFAOYSA-N 2 1 325.456 3.630 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000610250488 1016252885 /nfs/dbraw/zinc/25/28/85/1016252885.db2.gz SZKAJJHXDUYAGQ-VQIMIIECSA-N 2 1 335.923 3.501 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cs1 ZINC000348121929 1016290956 /nfs/dbraw/zinc/29/09/56/1016290956.db2.gz SJLACGHMHFTBRC-QZTJIDSGSA-N 2 1 333.545 3.696 20 0 EHADMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449085984 1032146481 /nfs/dbraw/zinc/14/64/81/1032146481.db2.gz AVFKCQNTDUWKFI-UHFFFAOYSA-N 2 1 344.478 3.579 20 0 EHADMP c1ccc2c(c1)CN(c1ccc3c([nH+]1)CCCC3)CC21CC[NH2+]CC1 ZINC001167160652 1016405986 /nfs/dbraw/zinc/40/59/86/1016405986.db2.gz WHFVDDRMOUWCIJ-UHFFFAOYSA-N 2 1 333.479 3.602 20 0 EHADMP c1ccc([C@@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275435467 1016772162 /nfs/dbraw/zinc/77/21/62/1016772162.db2.gz DJRNSTNZGZSPDQ-UXHICEINSA-N 2 1 328.500 3.557 20 0 EHADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)on1 ZINC000924596896 1017035227 /nfs/dbraw/zinc/03/52/27/1017035227.db2.gz ACUUDKXDGJYWDC-MRXNPFEDSA-N 2 1 343.471 3.766 20 0 EHADMP CC1(C)Cc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2O1 ZINC000536698488 1032156359 /nfs/dbraw/zinc/15/63/59/1032156359.db2.gz RFWNPFGZMYNAGN-QGZVFWFLSA-N 2 1 328.500 3.708 20 0 EHADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2O1 ZINC000536698488 1032156365 /nfs/dbraw/zinc/15/63/65/1032156365.db2.gz RFWNPFGZMYNAGN-QGZVFWFLSA-N 2 1 328.500 3.708 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528351201 1032157772 /nfs/dbraw/zinc/15/77/72/1032157772.db2.gz BZCCPMGTAYBBMK-UHFFFAOYSA-N 2 1 329.410 3.654 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(Cl)n1 ZINC000708507405 1032159370 /nfs/dbraw/zinc/15/93/70/1032159370.db2.gz VDMTVKBDNFIJLZ-BEFAXECRSA-N 2 1 343.902 3.901 20 0 EHADMP C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132739 1032174414 /nfs/dbraw/zinc/17/44/14/1032174414.db2.gz SQKDDFDGOXWULE-SFHVURJKSA-N 2 1 339.527 3.859 20 0 EHADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615858 1032173269 /nfs/dbraw/zinc/17/32/69/1032173269.db2.gz BIVDTYGUSFRWMQ-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615858 1032173281 /nfs/dbraw/zinc/17/32/81/1032173281.db2.gz BIVDTYGUSFRWMQ-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183754212 1032202272 /nfs/dbraw/zinc/20/22/72/1032202272.db2.gz JSYWPQZCPLRWPU-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183754212 1032202280 /nfs/dbraw/zinc/20/22/80/1032202280.db2.gz JSYWPQZCPLRWPU-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631060 1032208643 /nfs/dbraw/zinc/20/86/43/1032208643.db2.gz QWVKYJRFUCVQQP-MSEOUXRUSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379631060 1032208655 /nfs/dbraw/zinc/20/86/55/1032208655.db2.gz QWVKYJRFUCVQQP-MSEOUXRUSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379631060 1032208663 /nfs/dbraw/zinc/20/86/63/1032208663.db2.gz QWVKYJRFUCVQQP-MSEOUXRUSA-N 3 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631060 1032208677 /nfs/dbraw/zinc/20/86/77/1032208677.db2.gz QWVKYJRFUCVQQP-MSEOUXRUSA-N 3 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643264 1032218375 /nfs/dbraw/zinc/21/83/75/1032218375.db2.gz FRNHYTJPPYKVEG-VZVVXEKASA-N 2 1 335.495 3.774 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2C2CCCC2)c1 ZINC000449128776 1032223018 /nfs/dbraw/zinc/22/30/18/1032223018.db2.gz AQAAABYNFVZASD-UHFFFAOYSA-N 2 1 326.488 3.740 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2csc3ccccc23)CC1 ZINC000924657390 1032226182 /nfs/dbraw/zinc/22/61/82/1032226182.db2.gz BZXNGJDAXBETQB-QGZVFWFLSA-N 2 1 345.556 3.970 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000379638716 1032230961 /nfs/dbraw/zinc/23/09/61/1032230961.db2.gz AKUDKRYQWQYUDZ-JRGCBEDISA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000379638716 1032230970 /nfs/dbraw/zinc/23/09/70/1032230970.db2.gz AKUDKRYQWQYUDZ-JRGCBEDISA-N 2 1 336.479 3.633 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000449153009 1032255899 /nfs/dbraw/zinc/25/58/99/1032255899.db2.gz IDIUIHTUPOZZOJ-WMZOPIPTSA-N 2 1 336.907 3.677 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449177967 1032275936 /nfs/dbraw/zinc/27/59/36/1032275936.db2.gz WTIYGJALCNZYMA-ZIAGYGMSSA-N 2 1 333.476 3.912 20 0 EHADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000449163160 1032276513 /nfs/dbraw/zinc/27/65/13/1032276513.db2.gz VCVJHXWHTYKLLK-FLAMNCDFSA-N 2 1 336.545 3.926 20 0 EHADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000449163160 1032276524 /nfs/dbraw/zinc/27/65/24/1032276524.db2.gz VCVJHXWHTYKLLK-FLAMNCDFSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449219517 1032337114 /nfs/dbraw/zinc/33/71/14/1032337114.db2.gz NNMBKYVWCPLKQC-HOTGVXAUSA-N 2 1 339.568 3.558 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000084073465 1032412290 /nfs/dbraw/zinc/41/22/90/1032412290.db2.gz VEVVHKHJWFCMFQ-UHFFFAOYSA-N 2 1 349.544 3.765 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000084073465 1032412296 /nfs/dbraw/zinc/41/22/96/1032412296.db2.gz VEVVHKHJWFCMFQ-UHFFFAOYSA-N 2 1 349.544 3.765 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC3 ZINC000459728989 1032432984 /nfs/dbraw/zinc/43/29/84/1032432984.db2.gz DBDFKLJNHNKHIQ-DLBZAZTESA-N 2 1 325.500 3.655 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000459732000 1032436350 /nfs/dbraw/zinc/43/63/50/1032436350.db2.gz LTKFOOWHXNWIES-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000459732001 1032436568 /nfs/dbraw/zinc/43/65/68/1032436568.db2.gz LTKFOOWHXNWIES-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP Cc1nccn1CCC[N@H+](C)Cc1cccc(Br)c1F ZINC000449325075 1032438328 /nfs/dbraw/zinc/43/83/28/1032438328.db2.gz JQEMIQFQQRKVBJ-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Br)c1F ZINC000449325075 1032438337 /nfs/dbraw/zinc/43/83/37/1032438337.db2.gz JQEMIQFQQRKVBJ-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329566 1032441370 /nfs/dbraw/zinc/44/13/70/1032441370.db2.gz ISTCWVIVZJVYLQ-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329566 1032441374 /nfs/dbraw/zinc/44/13/74/1032441374.db2.gz ISTCWVIVZJVYLQ-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329566 1032441378 /nfs/dbraw/zinc/44/13/78/1032441378.db2.gz ISTCWVIVZJVYLQ-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329566 1032441383 /nfs/dbraw/zinc/44/13/83/1032441383.db2.gz ISTCWVIVZJVYLQ-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449323684 1032453437 /nfs/dbraw/zinc/45/34/37/1032453437.db2.gz AMDMITBQPZVXNC-UHFFFAOYSA-N 2 1 344.459 3.976 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449323684 1032453442 /nfs/dbraw/zinc/45/34/42/1032453442.db2.gz AMDMITBQPZVXNC-UHFFFAOYSA-N 2 1 344.459 3.976 20 0 EHADMP Clc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449404571 1032527082 /nfs/dbraw/zinc/52/70/82/1032527082.db2.gz VHNCJNPGDYXOPK-QWHCGFSZSA-N 2 1 329.271 3.589 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377078096 1017320332 /nfs/dbraw/zinc/32/03/32/1017320332.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 3 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000377078096 1017320336 /nfs/dbraw/zinc/32/03/36/1017320336.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000377078096 1017320349 /nfs/dbraw/zinc/32/03/49/1017320349.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377078096 1017320363 /nfs/dbraw/zinc/32/03/63/1017320363.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377078096 1017320377 /nfs/dbraw/zinc/32/03/77/1017320377.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000377078096 1017320383 /nfs/dbraw/zinc/32/03/83/1017320383.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000377078096 1017320391 /nfs/dbraw/zinc/32/03/91/1017320391.db2.gz NLQLRWKSECOWJJ-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472675875 1017404666 /nfs/dbraw/zinc/40/46/66/1017404666.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 3 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472675875 1017404673 /nfs/dbraw/zinc/40/46/73/1017404673.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 3 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472675875 1017404680 /nfs/dbraw/zinc/40/46/80/1017404680.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 3 1 343.559 3.705 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472675875 1017404684 /nfs/dbraw/zinc/40/46/84/1017404684.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472675875 1017404688 /nfs/dbraw/zinc/40/46/88/1017404688.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472675875 1017404699 /nfs/dbraw/zinc/40/46/99/1017404699.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472675875 1017404705 /nfs/dbraw/zinc/40/47/05/1017404705.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP CN1CCCC[C@H]1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000472675875 1017404711 /nfs/dbraw/zinc/40/47/11/1017404711.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP CN1CCCC[C@H]1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000472675875 1017404719 /nfs/dbraw/zinc/40/47/19/1017404719.db2.gz CZMLVBMRMUEECR-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655737181 1017495826 /nfs/dbraw/zinc/49/58/26/1017495826.db2.gz WRKBRGNBYIBSIR-IRLDBZIGSA-N 2 1 342.527 3.514 20 0 EHADMP c1cn(Cc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)cn1 ZINC000415080413 1017521826 /nfs/dbraw/zinc/52/18/26/1017521826.db2.gz JFZSVNCPMNUNCX-FCHUYYIVSA-N 2 1 346.478 3.514 20 0 EHADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000415086127 1017531732 /nfs/dbraw/zinc/53/17/32/1017531732.db2.gz UFTXSWGCKVOXDT-RHSMWYFYSA-N 2 1 329.419 3.633 20 0 EHADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655754538 1017538254 /nfs/dbraw/zinc/53/82/54/1017538254.db2.gz CFRHYCDCTPYZTP-AGHHOFFYSA-N 2 1 342.527 3.933 20 0 EHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655758138 1017541665 /nfs/dbraw/zinc/54/16/65/1017541665.db2.gz RJTZJJAQSBRLOO-IFMALSPDSA-N 2 1 344.543 3.734 20 0 EHADMP Cc1oc2ccccc2c1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655755356 1017547366 /nfs/dbraw/zinc/54/73/66/1017547366.db2.gz ZNEKCWBONFZVFL-SFHVURJKSA-N 2 1 342.483 3.517 20 0 EHADMP Clc1ccc(CCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000655767180 1017552810 /nfs/dbraw/zinc/55/28/10/1017552810.db2.gz YTTLIBYUJNPWCB-HNNXBMFYSA-N 2 1 342.936 3.567 20 0 EHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000415118677 1017575352 /nfs/dbraw/zinc/57/53/52/1017575352.db2.gz DVHCGIVLZHWABJ-IAGOWNOFSA-N 2 1 343.298 3.712 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000655780218 1017586709 /nfs/dbraw/zinc/58/67/09/1017586709.db2.gz WSTFXRFODQVNET-ALOPSCKCSA-N 2 1 344.890 3.549 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000655780218 1017586715 /nfs/dbraw/zinc/58/67/15/1017586715.db2.gz WSTFXRFODQVNET-ALOPSCKCSA-N 2 1 344.890 3.549 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000655780218 1017586727 /nfs/dbraw/zinc/58/67/27/1017586727.db2.gz WSTFXRFODQVNET-ALOPSCKCSA-N 2 1 344.890 3.549 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000415132287 1017597546 /nfs/dbraw/zinc/59/75/46/1017597546.db2.gz KUGUJQUVCNXSOM-UHFFFAOYSA-N 2 1 348.494 3.640 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000415132287 1017597553 /nfs/dbraw/zinc/59/75/53/1017597553.db2.gz KUGUJQUVCNXSOM-UHFFFAOYSA-N 2 1 348.494 3.640 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470278 1017968124 /nfs/dbraw/zinc/96/81/24/1017968124.db2.gz NKKZNZBDSYLNFK-UYAOXDASSA-N 2 1 342.527 3.693 20 0 EHADMP CCc1onc(C)c1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893020951 1018180363 /nfs/dbraw/zinc/18/03/63/1018180363.db2.gz RDGXONHJDOLOIG-KSSFIOAISA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893020951 1018180387 /nfs/dbraw/zinc/18/03/87/1018180387.db2.gz RDGXONHJDOLOIG-KSSFIOAISA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893020951 1018180397 /nfs/dbraw/zinc/18/03/97/1018180397.db2.gz RDGXONHJDOLOIG-KSSFIOAISA-N 2 1 333.501 3.780 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cnc1F ZINC000893022243 1018189774 /nfs/dbraw/zinc/18/97/74/1018189774.db2.gz ZXTHIBVIUVIEAZ-WBVHZDCISA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cnc1F ZINC000893022243 1018189782 /nfs/dbraw/zinc/18/97/82/1018189782.db2.gz ZXTHIBVIUVIEAZ-WBVHZDCISA-N 2 1 333.476 3.763 20 0 EHADMP CC(C)[C@H](O)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000340522400 1018206760 /nfs/dbraw/zinc/20/67/60/1018206760.db2.gz AVJKARREXQXZJH-CBNMVNINSA-N 2 1 344.543 3.816 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261774040 1019058985 /nfs/dbraw/zinc/05/89/85/1019058985.db2.gz XGJKDNILKWMBSY-XRXFAXGQSA-N 2 1 329.532 3.580 20 0 EHADMP c1ccc(OCc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000089511713 1019080177 /nfs/dbraw/zinc/08/01/77/1019080177.db2.gz VAKULUDAIWKTHW-NHCUHLMSSA-N 2 1 336.479 3.982 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000513208137 1019413415 /nfs/dbraw/zinc/41/34/15/1019413415.db2.gz NHLMEOVAOYBXOH-NQIIRXRSSA-N 2 1 338.495 3.968 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000513208137 1019413425 /nfs/dbraw/zinc/41/34/25/1019413425.db2.gz NHLMEOVAOYBXOH-NQIIRXRSSA-N 2 1 338.495 3.968 20 0 EHADMP CCC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC[NH2+]CC1 ZINC000433851665 1019707283 /nfs/dbraw/zinc/70/72/83/1019707283.db2.gz CMIADOZPNOSWGB-UHFFFAOYSA-N 2 1 348.494 3.965 20 0 EHADMP COCc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487458 1019745062 /nfs/dbraw/zinc/74/50/62/1019745062.db2.gz FDGASMVVTLDWPT-IEBWSBKVSA-N 2 1 342.483 3.816 20 0 EHADMP Cc1csc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513506855 1019750991 /nfs/dbraw/zinc/75/09/91/1019750991.db2.gz SAJSEPGSDTZOEY-WMZOPIPTSA-N 2 1 329.513 3.842 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647555 1019792787 /nfs/dbraw/zinc/79/27/87/1019792787.db2.gz YWTXOQLKCGRRNP-MOPGFXCFSA-N 2 1 328.500 3.731 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647555 1019792800 /nfs/dbraw/zinc/79/28/00/1019792800.db2.gz YWTXOQLKCGRRNP-MOPGFXCFSA-N 2 1 328.500 3.731 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc(Cl)c1O ZINC000513636869 1019896521 /nfs/dbraw/zinc/89/65/21/1019896521.db2.gz GMNRPXZNKOIOAR-CQSZACIVSA-N 2 1 340.895 3.656 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc(Cl)c1O ZINC000513636868 1019897279 /nfs/dbraw/zinc/89/72/79/1019897279.db2.gz GMNRPXZNKOIOAR-AWEZNQCLSA-N 2 1 340.895 3.656 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H]2CCC[C@H]21 ZINC000580883068 1020176776 /nfs/dbraw/zinc/17/67/76/1020176776.db2.gz CMKPYXTZHSXAAW-VNHYZAJKSA-N 2 1 335.904 3.912 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H]2CCC[C@H]21 ZINC000580883068 1020176782 /nfs/dbraw/zinc/17/67/82/1020176782.db2.gz CMKPYXTZHSXAAW-VNHYZAJKSA-N 2 1 335.904 3.912 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCCc1cncn1C ZINC000580900988 1020205240 /nfs/dbraw/zinc/20/52/40/1020205240.db2.gz GLBULNXGVRCZDG-CQSZACIVSA-N 2 1 339.405 3.935 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCCc1c[nH+]cn1C ZINC000580900988 1020205247 /nfs/dbraw/zinc/20/52/47/1020205247.db2.gz GLBULNXGVRCZDG-CQSZACIVSA-N 2 1 339.405 3.935 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000580900988 1020205255 /nfs/dbraw/zinc/20/52/55/1020205255.db2.gz GLBULNXGVRCZDG-CQSZACIVSA-N 2 1 339.405 3.935 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430549498 1020639875 /nfs/dbraw/zinc/63/98/75/1020639875.db2.gz XVWOGDADPOAPAY-WMZOPIPTSA-N 2 1 334.467 3.561 20 0 EHADMP Brc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000091284523 1020824286 /nfs/dbraw/zinc/82/42/86/1020824286.db2.gz MQUDPTRDNUSGPH-PXAZEXFGSA-N 2 1 335.289 3.510 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000581515884 1021035606 /nfs/dbraw/zinc/03/56/06/1021035606.db2.gz NDHWQTBDDSDWNR-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000581515884 1021035611 /nfs/dbraw/zinc/03/56/11/1021035611.db2.gz NDHWQTBDDSDWNR-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000581515884 1021035619 /nfs/dbraw/zinc/03/56/19/1021035619.db2.gz NDHWQTBDDSDWNR-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000581515884 1021035623 /nfs/dbraw/zinc/03/56/23/1021035623.db2.gz NDHWQTBDDSDWNR-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000341176315 1021047875 /nfs/dbraw/zinc/04/78/75/1021047875.db2.gz AYJYGOOEMIBFFL-INIZCTEOSA-N 2 1 334.261 3.621 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430623524 1021242049 /nfs/dbraw/zinc/24/20/49/1021242049.db2.gz HBVDRXMKMVJJEF-LJQANCHMSA-N 2 1 338.495 3.724 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430623524 1021242068 /nfs/dbraw/zinc/24/20/68/1021242068.db2.gz HBVDRXMKMVJJEF-LJQANCHMSA-N 2 1 338.495 3.724 20 0 EHADMP [NH3+]Cc1cc(-c2ccccc2)nn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964503 1021437833 /nfs/dbraw/zinc/43/78/33/1021437833.db2.gz RIPBQHKNCSLWMT-DFNIBXOVSA-N 2 1 336.483 3.587 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1O ZINC000426394830 1021464283 /nfs/dbraw/zinc/46/42/83/1021464283.db2.gz GHHBYZWJRSFJJQ-KRWDZBQOSA-N 2 1 348.531 3.966 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Br ZINC001167478565 1021506602 /nfs/dbraw/zinc/50/66/02/1021506602.db2.gz SQLWMFLISOGUPP-OAHLLOKOSA-N 2 1 325.294 3.531 20 0 EHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC001167478565 1021506605 /nfs/dbraw/zinc/50/66/05/1021506605.db2.gz SQLWMFLISOGUPP-OAHLLOKOSA-N 2 1 325.294 3.531 20 0 EHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC001167478565 1021506613 /nfs/dbraw/zinc/50/66/13/1021506613.db2.gz SQLWMFLISOGUPP-OAHLLOKOSA-N 2 1 325.294 3.531 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000684383783 1021497867 /nfs/dbraw/zinc/49/78/67/1021497867.db2.gz JVKKVBYLVATIJC-ZVXZJYCBSA-N 2 1 330.516 3.690 20 0 EHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(C)C ZINC000164515879 1021559433 /nfs/dbraw/zinc/55/94/33/1021559433.db2.gz WBGFZTHWFKEUBP-FQEVSTJZSA-N 2 1 330.472 3.672 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390934488 1021568138 /nfs/dbraw/zinc/56/81/38/1021568138.db2.gz GKRJOCFTSGWZHJ-HOCLYGCPSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390934488 1021568152 /nfs/dbraw/zinc/56/81/52/1021568152.db2.gz GKRJOCFTSGWZHJ-HOCLYGCPSA-N 2 1 328.378 3.549 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000437117554 1021572158 /nfs/dbraw/zinc/57/21/58/1021572158.db2.gz LLLNWEYNTOTBOP-LJQANCHMSA-N 2 1 338.499 3.623 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000437117554 1021572179 /nfs/dbraw/zinc/57/21/79/1021572179.db2.gz LLLNWEYNTOTBOP-LJQANCHMSA-N 2 1 338.499 3.623 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000437117554 1021572196 /nfs/dbraw/zinc/57/21/96/1021572196.db2.gz LLLNWEYNTOTBOP-LJQANCHMSA-N 2 1 338.499 3.623 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000437117554 1021572214 /nfs/dbraw/zinc/57/22/14/1021572214.db2.gz LLLNWEYNTOTBOP-LJQANCHMSA-N 2 1 338.499 3.623 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000518805887 1021573654 /nfs/dbraw/zinc/57/36/54/1021573654.db2.gz BEKUJKWJHFOWLY-INIZCTEOSA-N 2 1 334.504 3.927 20 0 EHADMP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000516620380 1021601193 /nfs/dbraw/zinc/60/11/93/1021601193.db2.gz JSCCBRRYJSARQG-CIAFKFPVSA-N 2 1 342.527 3.713 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c(F)c1 ZINC000519756930 1021674279 /nfs/dbraw/zinc/67/42/79/1021674279.db2.gz CEBOXJBSWFSBIA-UHFFFAOYSA-N 2 1 330.447 3.964 20 0 EHADMP CCCOc1cc(C)ccc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425904014 1021721519 /nfs/dbraw/zinc/72/15/19/1021721519.db2.gz XDMNEYZJPWUPSZ-UHFFFAOYSA-N 2 1 343.471 3.529 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@@H+]1C ZINC000593723365 1033017899 /nfs/dbraw/zinc/01/78/99/1033017899.db2.gz MNJGGCCYOQBIGE-OHDICMOHSA-N 2 1 344.499 3.629 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@H+]1C ZINC000593723365 1033017913 /nfs/dbraw/zinc/01/79/13/1033017913.db2.gz MNJGGCCYOQBIGE-OHDICMOHSA-N 2 1 344.499 3.629 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000449679330 1033030377 /nfs/dbraw/zinc/03/03/77/1033030377.db2.gz DKDMETJOSSTLKI-CMOCDZPBSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415011836 1022146377 /nfs/dbraw/zinc/14/63/77/1022146377.db2.gz ILOJTDDRVFUCBI-IRXDYDNUSA-N 2 1 334.467 3.673 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCC(=O)OC(C)(C)C)C2)CC1 ZINC000548297606 1022147884 /nfs/dbraw/zinc/14/78/84/1022147884.db2.gz HTIMFTSRKAXJHF-GOSISDBHSA-N 2 1 338.536 3.552 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCC(=O)OC(C)(C)C)C2)CC1 ZINC000548297606 1022147895 /nfs/dbraw/zinc/14/78/95/1022147895.db2.gz HTIMFTSRKAXJHF-GOSISDBHSA-N 2 1 338.536 3.552 20 0 EHADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167967126 1022177114 /nfs/dbraw/zinc/17/71/14/1022177114.db2.gz CQYTVNHOJRZGAE-NXEWRWPSSA-N 2 1 348.918 3.759 20 0 EHADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167967126 1022177119 /nfs/dbraw/zinc/17/71/19/1022177119.db2.gz CQYTVNHOJRZGAE-NXEWRWPSSA-N 2 1 348.918 3.759 20 0 EHADMP FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000425918419 1022202453 /nfs/dbraw/zinc/20/24/53/1022202453.db2.gz FAZHKFKSPAFMPO-GUDVDZBRSA-N 2 1 334.454 3.922 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425930425 1022246658 /nfs/dbraw/zinc/24/66/58/1022246658.db2.gz IICSPANAYDIAFZ-LJQANCHMSA-N 2 1 340.858 3.814 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(C)o1 ZINC000647196878 1022253525 /nfs/dbraw/zinc/25/35/25/1022253525.db2.gz QTUJCXACBVDPDG-IBGZPJMESA-N 2 1 339.483 3.621 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(C)o1 ZINC000647196878 1022253538 /nfs/dbraw/zinc/25/35/38/1022253538.db2.gz QTUJCXACBVDPDG-IBGZPJMESA-N 2 1 339.483 3.621 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)C1 ZINC000438078499 1022361478 /nfs/dbraw/zinc/36/14/78/1022361478.db2.gz IDZPDPFOLNNRPZ-UEXGIBASSA-N 2 1 330.516 3.681 20 0 EHADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000414921189 1022361590 /nfs/dbraw/zinc/36/15/90/1022361590.db2.gz AMAOIOMZGGVDPM-SNVBAGLBSA-N 2 1 325.275 3.614 20 0 EHADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000647976587 1022404957 /nfs/dbraw/zinc/40/49/57/1022404957.db2.gz QMDYNBJQZLEVDN-QZTJIDSGSA-N 2 1 325.456 3.553 20 0 EHADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976684 1022407454 /nfs/dbraw/zinc/40/74/54/1022407454.db2.gz SAEHGRVILLDCRZ-BPQIPLTHSA-N 2 1 340.471 3.509 20 0 EHADMP CC(C)n1ccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471833555 1022477035 /nfs/dbraw/zinc/47/70/35/1022477035.db2.gz CUUIXEWBPFYXCI-VQTJNVASSA-N 2 1 340.515 3.636 20 0 EHADMP CC(C)n1ccnc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471833555 1022477037 /nfs/dbraw/zinc/47/70/37/1022477037.db2.gz CUUIXEWBPFYXCI-VQTJNVASSA-N 2 1 340.515 3.636 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000129849815 1022514788 /nfs/dbraw/zinc/51/47/88/1022514788.db2.gz JWHBBLXEQXEDDB-DYEKYZERSA-N 2 1 341.293 3.591 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000129849815 1022514801 /nfs/dbraw/zinc/51/48/01/1022514801.db2.gz JWHBBLXEQXEDDB-DYEKYZERSA-N 2 1 341.293 3.591 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000894554488 1022545062 /nfs/dbraw/zinc/54/50/62/1022545062.db2.gz FHVQGBHCXYGCEH-LJQANCHMSA-N 2 1 341.499 3.937 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000894554488 1022545074 /nfs/dbraw/zinc/54/50/74/1022545074.db2.gz FHVQGBHCXYGCEH-LJQANCHMSA-N 2 1 341.499 3.937 20 0 EHADMP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]c2cc(Br)ccc21 ZINC000303853476 1022589909 /nfs/dbraw/zinc/58/99/09/1022589909.db2.gz LBJFQZJASOTMCC-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2cc(Br)ccc21 ZINC000303853476 1022589916 /nfs/dbraw/zinc/58/99/16/1022589916.db2.gz LBJFQZJASOTMCC-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c2C1 ZINC000438352487 1022601129 /nfs/dbraw/zinc/60/11/29/1022601129.db2.gz HPIJAHUFSWVRQE-KRWDZBQOSA-N 2 1 343.515 3.861 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000449691017 1033077407 /nfs/dbraw/zinc/07/74/07/1033077407.db2.gz SYIIABZQKNNVCC-PZJWPPBQSA-N 2 1 330.516 3.661 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200574 1022722177 /nfs/dbraw/zinc/72/21/77/1022722177.db2.gz OHRLCXWGCFZLQS-WBVHZDCISA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200574 1022722192 /nfs/dbraw/zinc/72/21/92/1022722192.db2.gz OHRLCXWGCFZLQS-WBVHZDCISA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200574 1022722207 /nfs/dbraw/zinc/72/22/07/1022722207.db2.gz OHRLCXWGCFZLQS-WBVHZDCISA-N 2 1 342.405 3.544 20 0 EHADMP Fc1ncccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167978170 1022748235 /nfs/dbraw/zinc/74/82/35/1022748235.db2.gz LKAWVGAVEWCJOP-PHSGOXPASA-N 2 1 329.463 3.667 20 0 EHADMP Fc1ncccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167978170 1022748250 /nfs/dbraw/zinc/74/82/50/1022748250.db2.gz LKAWVGAVEWCJOP-PHSGOXPASA-N 2 1 329.463 3.667 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833603 1022748160 /nfs/dbraw/zinc/74/81/60/1022748160.db2.gz RBDRXMJNZRYMGW-IEBWSBKVSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833603 1022748169 /nfs/dbraw/zinc/74/81/69/1022748169.db2.gz RBDRXMJNZRYMGW-IEBWSBKVSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833603 1022748179 /nfs/dbraw/zinc/74/81/79/1022748179.db2.gz RBDRXMJNZRYMGW-IEBWSBKVSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833603 1022748194 /nfs/dbraw/zinc/74/81/94/1022748194.db2.gz RBDRXMJNZRYMGW-IEBWSBKVSA-N 2 1 346.515 3.703 20 0 EHADMP Cc1ncsc1CC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471871708 1022777542 /nfs/dbraw/zinc/77/75/42/1022777542.db2.gz MPFBPCNLVPBUEC-MOPGFXCFSA-N 2 1 343.540 3.666 20 0 EHADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(Cl)cc21 ZINC000188557476 1022826563 /nfs/dbraw/zinc/82/65/63/1022826563.db2.gz YHCOVROSMMFXBU-IAGOWNOFSA-N 2 1 331.891 3.591 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2c1NCCC2 ZINC000894779678 1022896908 /nfs/dbraw/zinc/89/69/08/1022896908.db2.gz LRIXXLDTBUOHGY-UHFFFAOYSA-N 2 1 326.488 3.716 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000894779678 1022896927 /nfs/dbraw/zinc/89/69/27/1022896927.db2.gz LRIXXLDTBUOHGY-UHFFFAOYSA-N 2 1 326.488 3.716 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000518117987 1023010012 /nfs/dbraw/zinc/01/00/12/1023010012.db2.gz BPTLUGYWGJWVHY-OAHLLOKOSA-N 2 1 332.451 3.915 20 0 EHADMP COc1ccccc1[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984265 1023080358 /nfs/dbraw/zinc/08/03/58/1023080358.db2.gz MHNNDYWQOAAIDM-GURQWTFNSA-N 2 1 340.511 3.890 20 0 EHADMP COc1ccccc1[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984265 1023080366 /nfs/dbraw/zinc/08/03/66/1023080366.db2.gz MHNNDYWQOAAIDM-GURQWTFNSA-N 2 1 340.511 3.890 20 0 EHADMP COc1ccccc1[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984265 1023080376 /nfs/dbraw/zinc/08/03/76/1023080376.db2.gz MHNNDYWQOAAIDM-GURQWTFNSA-N 2 1 340.511 3.890 20 0 EHADMP CCCC1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607366875 1033109013 /nfs/dbraw/zinc/10/90/13/1033109013.db2.gz XMRKFFHSDULBTI-DQVLVPHSSA-N 2 1 330.516 3.572 20 0 EHADMP CCCC1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607366875 1033109020 /nfs/dbraw/zinc/10/90/20/1033109020.db2.gz XMRKFFHSDULBTI-DQVLVPHSSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071520 1023206477 /nfs/dbraw/zinc/20/64/77/1023206477.db2.gz UXMNKSUIYCNHCR-RYUDHWBXSA-N 2 1 336.867 3.541 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071520 1023206481 /nfs/dbraw/zinc/20/64/81/1023206481.db2.gz UXMNKSUIYCNHCR-RYUDHWBXSA-N 2 1 336.867 3.541 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427110280 1023223785 /nfs/dbraw/zinc/22/37/85/1023223785.db2.gz KTVWOOJVIYKDRM-UTKZUKDTSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427110280 1023223796 /nfs/dbraw/zinc/22/37/96/1023223796.db2.gz KTVWOOJVIYKDRM-UTKZUKDTSA-N 2 1 340.442 3.589 20 0 EHADMP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441495451 1023266744 /nfs/dbraw/zinc/26/67/44/1023266744.db2.gz XDQQNNOQAYUKDY-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441495451 1023266747 /nfs/dbraw/zinc/26/67/47/1023266747.db2.gz XDQQNNOQAYUKDY-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC1CC[NH+](C)CC1 ZINC000891902973 1023362040 /nfs/dbraw/zinc/36/20/40/1023362040.db2.gz BSIWUVVKIBRBHB-UHFFFAOYSA-N 2 1 345.462 3.687 20 0 EHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000510928592 1023488077 /nfs/dbraw/zinc/48/80/77/1023488077.db2.gz KFNZZWWVKLZLTF-ACRUOGEOSA-N 2 1 348.506 3.786 20 0 EHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000510928592 1023488081 /nfs/dbraw/zinc/48/80/81/1023488081.db2.gz KFNZZWWVKLZLTF-ACRUOGEOSA-N 2 1 348.506 3.786 20 0 EHADMP C[C@H]1CC2(CC([NH2+][C@@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)CO1 ZINC000897773121 1033160375 /nfs/dbraw/zinc/16/03/75/1033160375.db2.gz GOWHRVMHVTWCFN-IKCASOAWSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@H]1CC2(CC([NH2+][C@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)CO1 ZINC000897773123 1033160525 /nfs/dbraw/zinc/16/05/25/1033160525.db2.gz GOWHRVMHVTWCFN-ZLCDIEIASA-N 2 1 340.511 3.587 20 0 EHADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)n1 ZINC000133834475 1024026581 /nfs/dbraw/zinc/02/65/81/1024026581.db2.gz FLAUFASUWATRAD-UXHICEINSA-N 2 1 336.483 3.584 20 0 EHADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000133834475 1024026598 /nfs/dbraw/zinc/02/65/98/1024026598.db2.gz FLAUFASUWATRAD-UXHICEINSA-N 2 1 336.483 3.584 20 0 EHADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000133834475 1024026618 /nfs/dbraw/zinc/02/66/18/1024026618.db2.gz FLAUFASUWATRAD-UXHICEINSA-N 2 1 336.483 3.584 20 0 EHADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2cc(Br)ccc21 ZINC000443509113 1024069005 /nfs/dbraw/zinc/06/90/05/1024069005.db2.gz JVYZIACAAXVBGO-RYUDHWBXSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443509113 1024069024 /nfs/dbraw/zinc/06/90/24/1024069024.db2.gz JVYZIACAAXVBGO-RYUDHWBXSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443509113 1024069041 /nfs/dbraw/zinc/06/90/41/1024069041.db2.gz JVYZIACAAXVBGO-RYUDHWBXSA-N 2 1 334.261 3.526 20 0 EHADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236715630 1024081560 /nfs/dbraw/zinc/08/15/60/1024081560.db2.gz DEALNZVETWHXRT-INIZCTEOSA-N 2 1 331.504 3.622 20 0 EHADMP COc1cccc(Cl)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000514114363 1024148998 /nfs/dbraw/zinc/14/89/98/1024148998.db2.gz FWMICRFYXPVJCW-KDOFPFPSSA-N 2 1 334.891 3.797 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000475036773 1024181221 /nfs/dbraw/zinc/18/12/21/1024181221.db2.gz ZUPIKZHDAGTQQJ-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475036773 1024181229 /nfs/dbraw/zinc/18/12/29/1024181229.db2.gz ZUPIKZHDAGTQQJ-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475036773 1024181235 /nfs/dbraw/zinc/18/12/35/1024181235.db2.gz ZUPIKZHDAGTQQJ-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036773 1024181242 /nfs/dbraw/zinc/18/12/42/1024181242.db2.gz ZUPIKZHDAGTQQJ-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036773 1024181250 /nfs/dbraw/zinc/18/12/50/1024181250.db2.gz ZUPIKZHDAGTQQJ-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000577822507 1024238177 /nfs/dbraw/zinc/23/81/77/1024238177.db2.gz QSMVYDIRLYFGKX-NHYWBVRUSA-N 2 1 341.268 3.507 20 0 EHADMP c1cc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccn1 ZINC001168004669 1024238319 /nfs/dbraw/zinc/23/83/19/1024238319.db2.gz XAVNFFQHSQXKTC-CBQGHPETSA-N 2 1 339.527 3.742 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000324156936 1024257966 /nfs/dbraw/zinc/25/79/66/1024257966.db2.gz ALGDAMVSPVMUSC-INIZCTEOSA-N 2 1 332.488 3.763 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000324156936 1024257976 /nfs/dbraw/zinc/25/79/76/1024257976.db2.gz ALGDAMVSPVMUSC-INIZCTEOSA-N 2 1 332.488 3.763 20 0 EHADMP C[C@@H]1CC([NH2+]C2CCC([NH+](C)C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168023762 1024290035 /nfs/dbraw/zinc/29/00/35/1024290035.db2.gz XUUQCDLMHIQPSK-IYVCXYCASA-N 2 1 343.559 3.890 20 0 EHADMP COc1ccc(C)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689893 1024298004 /nfs/dbraw/zinc/29/80/04/1024298004.db2.gz CZJOAIGFNHEGAU-UHFFFAOYSA-N 2 1 339.483 3.916 20 0 EHADMP CN(C)c1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691438 1024301980 /nfs/dbraw/zinc/30/19/80/1024301980.db2.gz QZSONSOGLRCYED-UHFFFAOYSA-N 2 1 338.499 3.665 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2ccnc(F)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024457 1024332051 /nfs/dbraw/zinc/33/20/51/1024332051.db2.gz GVPVKZKAHAKYOP-HZPDHXFCSA-N 2 1 327.447 3.752 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000443656914 1024360778 /nfs/dbraw/zinc/36/07/78/1024360778.db2.gz LXPSVIJMIGUHOM-RDJZCZTQSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000443656914 1024360793 /nfs/dbraw/zinc/36/07/93/1024360793.db2.gz LXPSVIJMIGUHOM-RDJZCZTQSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000443656914 1024360811 /nfs/dbraw/zinc/36/08/11/1024360811.db2.gz LXPSVIJMIGUHOM-RDJZCZTQSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000346145297 1024446207 /nfs/dbraw/zinc/44/62/07/1024446207.db2.gz DAWFOLYYLZSOTP-FQEVSTJZSA-N 2 1 335.455 3.641 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000281982713 1024471533 /nfs/dbraw/zinc/47/15/33/1024471533.db2.gz CBBFTLZNVFQTFF-FQEVSTJZSA-N 2 1 330.516 3.966 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000346161301 1024474242 /nfs/dbraw/zinc/47/42/42/1024474242.db2.gz XLOVMHAGTRMCLO-OAQYLSRUSA-N 2 1 348.450 3.921 20 0 EHADMP C[N@@H+](CCSC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505245 1024490985 /nfs/dbraw/zinc/49/09/85/1024490985.db2.gz RPRNFFIFYXJDDO-OAHLLOKOSA-N 2 1 332.435 3.693 20 0 EHADMP C[NH+](CCSC(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505245 1024490994 /nfs/dbraw/zinc/49/09/94/1024490994.db2.gz RPRNFFIFYXJDDO-OAHLLOKOSA-N 2 1 332.435 3.693 20 0 EHADMP C[NH+](CCSC(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505245 1024491003 /nfs/dbraw/zinc/49/10/03/1024491003.db2.gz RPRNFFIFYXJDDO-OAHLLOKOSA-N 2 1 332.435 3.693 20 0 EHADMP CN(c1ccccc1C[N@@H+](C)Cc1cccs1)C1CC[NH+](C)CC1 ZINC000505565840 1024508108 /nfs/dbraw/zinc/50/81/08/1024508108.db2.gz XSCUMEXJZNRYPT-UHFFFAOYSA-N 2 1 343.540 3.911 20 0 EHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346196447 1024518553 /nfs/dbraw/zinc/51/85/53/1024518553.db2.gz ZJMHVYKVKYCJQX-MSOLQXFVSA-N 2 1 330.501 3.682 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000277316178 1024586338 /nfs/dbraw/zinc/58/63/38/1024586338.db2.gz UXXGLRWGPIGDKL-UHFFFAOYSA-N 2 1 337.471 3.543 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000277316178 1024586350 /nfs/dbraw/zinc/58/63/50/1024586350.db2.gz UXXGLRWGPIGDKL-UHFFFAOYSA-N 2 1 337.471 3.543 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000435132726 1024643030 /nfs/dbraw/zinc/64/30/30/1024643030.db2.gz KZUMYGLSHOZNMK-KRWDZBQOSA-N 2 1 342.487 3.614 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000435132726 1024643035 /nfs/dbraw/zinc/64/30/35/1024643035.db2.gz KZUMYGLSHOZNMK-KRWDZBQOSA-N 2 1 342.487 3.614 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009290 1024643386 /nfs/dbraw/zinc/64/33/86/1024643386.db2.gz ZUJHOHOLMVXLFB-GMQQQROESA-N 2 1 338.495 3.751 20 0 EHADMP Cc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435430996 1024902448 /nfs/dbraw/zinc/90/24/48/1024902448.db2.gz GOFXKDOSFOLGTA-KRWDZBQOSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435430996 1024902458 /nfs/dbraw/zinc/90/24/58/1024902458.db2.gz GOFXKDOSFOLGTA-KRWDZBQOSA-N 2 1 327.497 3.596 20 0 EHADMP CC(C)n1ccnc1CNCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000657310922 1024954054 /nfs/dbraw/zinc/95/40/54/1024954054.db2.gz RRINPMAIZUNFIF-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000657310922 1024954063 /nfs/dbraw/zinc/95/40/63/1024954063.db2.gz RRINPMAIZUNFIF-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000657310922 1024954077 /nfs/dbraw/zinc/95/40/77/1024954077.db2.gz RRINPMAIZUNFIF-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000657310703 1024955911 /nfs/dbraw/zinc/95/59/11/1024955911.db2.gz RKQYMHOIJHARER-GOSISDBHSA-N 2 1 340.515 3.957 20 0 EHADMP CC(C)OC1CC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000428097052 1024979070 /nfs/dbraw/zinc/97/90/70/1024979070.db2.gz CINRCOUIXPVJNU-IDGBJLRDSA-N 2 1 330.516 3.833 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2cccs2)cc1 ZINC000665255404 1024982796 /nfs/dbraw/zinc/98/27/96/1024982796.db2.gz RJAXRDQZNFAHFL-YSSFQJQWSA-N 2 1 344.524 3.813 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657311952 1024993395 /nfs/dbraw/zinc/99/33/95/1024993395.db2.gz AARGGIDJINETHO-ROUUACIJSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657311952 1024993405 /nfs/dbraw/zinc/99/34/05/1024993405.db2.gz AARGGIDJINETHO-ROUUACIJSA-N 2 1 327.497 3.835 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000474463640 1025007048 /nfs/dbraw/zinc/00/70/48/1025007048.db2.gz FAJGDDDFFZAAJM-QGZVFWFLSA-N 2 1 346.515 3.740 20 0 EHADMP CC[N@@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435612551 1025032494 /nfs/dbraw/zinc/03/24/94/1025032494.db2.gz GPCKBXAHDJWPDU-SFHVURJKSA-N 2 1 325.456 3.838 20 0 EHADMP CC[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435613029 1025032671 /nfs/dbraw/zinc/03/26/71/1025032671.db2.gz INVOULOGEJCJAS-HNNXBMFYSA-N 2 1 330.394 3.592 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000657314465 1025064697 /nfs/dbraw/zinc/06/46/97/1025064697.db2.gz WQFXGLTYDYMWEG-LSDHHAIUSA-N 2 1 349.272 3.912 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000657314465 1025064705 /nfs/dbraw/zinc/06/47/05/1025064705.db2.gz WQFXGLTYDYMWEG-LSDHHAIUSA-N 2 1 349.272 3.912 20 0 EHADMP CCc1nc(C)cc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342390531 1025163736 /nfs/dbraw/zinc/16/37/36/1025163736.db2.gz ZXIDNXXBRRXUEK-PKOBYXMFSA-N 2 1 338.499 3.837 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346838876 1025227433 /nfs/dbraw/zinc/22/74/33/1025227433.db2.gz RTPBERPEQQNCCF-DBVUQKKJSA-N 2 1 338.499 3.555 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040195 1025300094 /nfs/dbraw/zinc/30/00/94/1025300094.db2.gz KOVZRTBJBMXXQY-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040195 1025300102 /nfs/dbraw/zinc/30/01/02/1025300102.db2.gz KOVZRTBJBMXXQY-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040195 1025300109 /nfs/dbraw/zinc/30/01/09/1025300109.db2.gz KOVZRTBJBMXXQY-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040195 1025300114 /nfs/dbraw/zinc/30/01/14/1025300114.db2.gz KOVZRTBJBMXXQY-YHELAOLJSA-N 2 1 330.516 3.665 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)cc1 ZINC000474035389 1025314196 /nfs/dbraw/zinc/31/41/96/1025314196.db2.gz NWQHGDMCJHGWAJ-KSEOMHKRSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041212 1025380143 /nfs/dbraw/zinc/38/01/43/1025380143.db2.gz QZJWRLDDPDYSNC-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041212 1025380158 /nfs/dbraw/zinc/38/01/58/1025380158.db2.gz QZJWRLDDPDYSNC-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041212 1025380165 /nfs/dbraw/zinc/38/01/65/1025380165.db2.gz QZJWRLDDPDYSNC-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434822 1025388991 /nfs/dbraw/zinc/38/89/91/1025388991.db2.gz AVUQNAGXAZIPAO-PMACEKPBSA-N 2 1 342.527 3.978 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434822 1025389008 /nfs/dbraw/zinc/38/90/08/1025389008.db2.gz AVUQNAGXAZIPAO-PMACEKPBSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041294 1025398780 /nfs/dbraw/zinc/39/87/80/1025398780.db2.gz RUJNQWYARNFVGF-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041294 1025398792 /nfs/dbraw/zinc/39/87/92/1025398792.db2.gz RUJNQWYARNFVGF-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041294 1025398804 /nfs/dbraw/zinc/39/88/04/1025398804.db2.gz RUJNQWYARNFVGF-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041294 1025398809 /nfs/dbraw/zinc/39/88/09/1025398809.db2.gz RUJNQWYARNFVGF-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709800 1025436044 /nfs/dbraw/zinc/43/60/44/1025436044.db2.gz BCXZALKIUZPMSB-BBWFWOEESA-N 2 1 325.500 3.593 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657356741 1025441115 /nfs/dbraw/zinc/44/11/15/1025441115.db2.gz QNRUXSWCUNTWJF-LJQANCHMSA-N 2 1 344.524 3.742 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442779239 1025473805 /nfs/dbraw/zinc/47/38/05/1025473805.db2.gz LORYWUVHCXCCRQ-BRWVUGGUSA-N 2 1 337.467 3.669 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](F)(CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041839 1025489720 /nfs/dbraw/zinc/48/97/20/1025489720.db2.gz WJMMVUAWAMKNGC-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041839 1025489728 /nfs/dbraw/zinc/48/97/28/1025489728.db2.gz WJMMVUAWAMKNGC-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041839 1025489736 /nfs/dbraw/zinc/48/97/36/1025489736.db2.gz WJMMVUAWAMKNGC-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530230596 1025502330 /nfs/dbraw/zinc/50/23/30/1025502330.db2.gz HXJLTVJBWPAMFU-KPQWGBOZSA-N 2 1 344.543 3.785 20 0 EHADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530214891 1025508265 /nfs/dbraw/zinc/50/82/65/1025508265.db2.gz DJGSCGLNUPBJRX-UWVGGRQHSA-N 2 1 333.220 3.520 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000303586025 1025532408 /nfs/dbraw/zinc/53/24/08/1025532408.db2.gz QMIVXVSNJJUZOC-UHFFFAOYSA-N 2 1 340.515 3.816 20 0 EHADMP C[C@H]1CC([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042005 1025538963 /nfs/dbraw/zinc/53/89/63/1025538963.db2.gz XPCDYVWUGWGFHK-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@H]1CC([N@H+]2CC[C@@H](C)[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042005 1025538973 /nfs/dbraw/zinc/53/89/73/1025538973.db2.gz XPCDYVWUGWGFHK-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](CC2CCC2)c2ccccc2)CC1(C)C ZINC000442879410 1025559609 /nfs/dbraw/zinc/55/96/09/1025559609.db2.gz VSLUTQHOHBBBDX-HXUWFJFHSA-N 2 1 329.532 3.534 20 0 EHADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H](C)C[NH2+]C)nc1 ZINC000665298614 1025560791 /nfs/dbraw/zinc/56/07/91/1025560791.db2.gz ZCJCATFUIVETHU-QRWLVFNGSA-N 2 1 345.918 3.649 20 0 EHADMP Cc1ccc(OCc2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000442902348 1025585292 /nfs/dbraw/zinc/58/52/92/1025585292.db2.gz RTXLOAJUIODOIQ-INIZCTEOSA-N 2 1 345.512 3.591 20 0 EHADMP Cc1ccc(OCc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000442902348 1025585305 /nfs/dbraw/zinc/58/53/05/1025585305.db2.gz RTXLOAJUIODOIQ-INIZCTEOSA-N 2 1 345.512 3.591 20 0 EHADMP CCCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000442963593 1025626370 /nfs/dbraw/zinc/62/63/70/1025626370.db2.gz GMYGRPYFCCMENN-KRWDZBQOSA-N 2 1 328.460 3.913 20 0 EHADMP COC/C(C)=C/C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167558099 1025693710 /nfs/dbraw/zinc/69/37/10/1025693710.db2.gz GLJDJDKDNJCOHG-JWWRODRKSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C/C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167558099 1025693713 /nfs/dbraw/zinc/69/37/13/1025693713.db2.gz GLJDJDKDNJCOHG-JWWRODRKSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C/C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167558099 1025693714 /nfs/dbraw/zinc/69/37/14/1025693714.db2.gz GLJDJDKDNJCOHG-JWWRODRKSA-N 2 1 328.500 3.567 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cc2)n1 ZINC000444175108 1025876233 /nfs/dbraw/zinc/87/62/33/1025876233.db2.gz ZFCWVJUWNRGXGS-HXUWFJFHSA-N 2 1 340.515 3.795 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cc2)n1 ZINC000444175108 1025876247 /nfs/dbraw/zinc/87/62/47/1025876247.db2.gz ZFCWVJUWNRGXGS-HXUWFJFHSA-N 2 1 340.515 3.795 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cc2)n1 ZINC000444175108 1025876269 /nfs/dbraw/zinc/87/62/69/1025876269.db2.gz ZFCWVJUWNRGXGS-HXUWFJFHSA-N 2 1 340.515 3.795 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cc2)n1 ZINC000444175108 1025876293 /nfs/dbraw/zinc/87/62/93/1025876293.db2.gz ZFCWVJUWNRGXGS-HXUWFJFHSA-N 2 1 340.515 3.795 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000475056681 1025878074 /nfs/dbraw/zinc/87/80/74/1025878074.db2.gz LORMNJPQMYKDEX-JOCHJYFZSA-N 2 1 344.543 3.772 20 0 EHADMP CN(CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000444269702 1025990757 /nfs/dbraw/zinc/99/07/57/1025990757.db2.gz LVUDPBQZUSHFIH-OAQYLSRUSA-N 2 1 337.511 3.577 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562016 1026136567 /nfs/dbraw/zinc/13/65/67/1026136567.db2.gz CFDWWBFGFXQJOB-RDJZCZTQSA-N 2 1 337.305 3.723 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562016 1026136573 /nfs/dbraw/zinc/13/65/73/1026136573.db2.gz CFDWWBFGFXQJOB-RDJZCZTQSA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562016 1026136577 /nfs/dbraw/zinc/13/65/77/1026136577.db2.gz CFDWWBFGFXQJOB-RDJZCZTQSA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562016 1026136584 /nfs/dbraw/zinc/13/65/84/1026136584.db2.gz CFDWWBFGFXQJOB-RDJZCZTQSA-N 2 1 337.305 3.723 20 0 EHADMP CC(C)(C)OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000530626626 1026151860 /nfs/dbraw/zinc/15/18/60/1026151860.db2.gz QDVMCGHRZABCGJ-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530626626 1026151872 /nfs/dbraw/zinc/15/18/72/1026151872.db2.gz QDVMCGHRZABCGJ-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000530626626 1026151879 /nfs/dbraw/zinc/15/18/79/1026151879.db2.gz QDVMCGHRZABCGJ-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000475122662 1026217781 /nfs/dbraw/zinc/21/77/81/1026217781.db2.gz UMULGJAOZMIOJV-UHFFFAOYSA-N 2 1 344.499 3.702 20 0 EHADMP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000475278357 1026428230 /nfs/dbraw/zinc/42/82/30/1026428230.db2.gz VJGBWMFPEZUJDA-NQIIRXRSSA-N 2 1 330.516 3.551 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000159146879 1026500762 /nfs/dbraw/zinc/50/07/62/1026500762.db2.gz NLEICQQUYHAZHN-ZDUSSCGKSA-N 2 1 328.859 3.631 20 0 EHADMP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918417 1026640354 /nfs/dbraw/zinc/64/03/54/1026640354.db2.gz PWVCVCZDFSJBPA-AZUAARDMSA-N 2 1 338.495 3.738 20 0 EHADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065287 1026640738 /nfs/dbraw/zinc/64/07/38/1026640738.db2.gz VJWVYBNIBULAMM-NPDDRXJXSA-N 2 1 343.559 3.844 20 0 EHADMP Cc1cc(C(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1C1CC1 ZINC000531255191 1026738599 /nfs/dbraw/zinc/73/85/99/1026738599.db2.gz UIIMVTKOFNVERI-UHFFFAOYSA-N 2 1 345.531 3.675 20 0 EHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1C1CC1 ZINC000531255191 1026738608 /nfs/dbraw/zinc/73/86/08/1026738608.db2.gz UIIMVTKOFNVERI-UHFFFAOYSA-N 2 1 345.531 3.675 20 0 EHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1C1CC1 ZINC000531255191 1026738620 /nfs/dbraw/zinc/73/86/20/1026738620.db2.gz UIIMVTKOFNVERI-UHFFFAOYSA-N 2 1 345.531 3.675 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168065867 1026777014 /nfs/dbraw/zinc/77/70/14/1026777014.db2.gz YRQKJRRVGXDCHR-USNOLKROSA-N 2 1 328.500 3.681 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168065867 1026777024 /nfs/dbraw/zinc/77/70/24/1026777024.db2.gz YRQKJRRVGXDCHR-USNOLKROSA-N 2 1 328.500 3.681 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378168 1026841204 /nfs/dbraw/zinc/84/12/04/1026841204.db2.gz DDHFJWMIGGFMRL-CZUORRHYSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378168 1026841215 /nfs/dbraw/zinc/84/12/15/1026841215.db2.gz DDHFJWMIGGFMRL-CZUORRHYSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378168 1026841226 /nfs/dbraw/zinc/84/12/26/1026841226.db2.gz DDHFJWMIGGFMRL-CZUORRHYSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378168 1026841238 /nfs/dbraw/zinc/84/12/38/1026841238.db2.gz DDHFJWMIGGFMRL-CZUORRHYSA-N 2 1 325.294 3.754 20 0 EHADMP Cc1nccn1-c1ccc(CN[C@@H]2CCCc3cccnc32)cc1F ZINC000684954391 1026841212 /nfs/dbraw/zinc/84/12/12/1026841212.db2.gz BYVJGOSKQVVEAD-GOSISDBHSA-N 2 1 336.414 3.882 20 0 EHADMP CCCc1cc(NC[C@@H](C)[NH+]2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000301815231 1026949742 /nfs/dbraw/zinc/94/97/42/1026949742.db2.gz ZNPLHJYZPKFEAR-QGZVFWFLSA-N 2 1 340.515 3.625 20 0 EHADMP C[N@H+]1CCC[C@H](CNc2ccnc3ccc(Br)cc32)C1 ZINC000301973516 1027011779 /nfs/dbraw/zinc/01/17/79/1027011779.db2.gz ATZRWEZANWNIAV-GFCCVEGCSA-N 2 1 334.261 3.751 20 0 EHADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000301973516 1027011782 /nfs/dbraw/zinc/01/17/82/1027011782.db2.gz ATZRWEZANWNIAV-GFCCVEGCSA-N 2 1 334.261 3.751 20 0 EHADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000301973516 1027011784 /nfs/dbraw/zinc/01/17/84/1027011784.db2.gz ATZRWEZANWNIAV-GFCCVEGCSA-N 2 1 334.261 3.751 20 0 EHADMP C[N@@H+](CCCc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC001207322507 1027045842 /nfs/dbraw/zinc/04/58/42/1027045842.db2.gz SLUYJUBSUQPJKB-UHFFFAOYSA-N 2 1 339.321 3.655 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000125811754 1027127659 /nfs/dbraw/zinc/12/76/59/1027127659.db2.gz ILJQLBHGWRECPH-OAQYLSRUSA-N 2 1 334.467 3.878 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000125811754 1027127669 /nfs/dbraw/zinc/12/76/69/1027127669.db2.gz ILJQLBHGWRECPH-OAQYLSRUSA-N 2 1 334.467 3.878 20 0 EHADMP COCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000582730515 1027196548 /nfs/dbraw/zinc/19/65/48/1027196548.db2.gz ZBHHNJOWKSNCEB-CTNGQTDRSA-N 2 1 342.458 3.897 20 0 EHADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000582730515 1027196562 /nfs/dbraw/zinc/19/65/62/1027196562.db2.gz ZBHHNJOWKSNCEB-CTNGQTDRSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000273197953 1027305458 /nfs/dbraw/zinc/30/54/58/1027305458.db2.gz QYQZQIKNYXKPQX-ANTGDGSKSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000273197953 1027305474 /nfs/dbraw/zinc/30/54/74/1027305474.db2.gz QYQZQIKNYXKPQX-ANTGDGSKSA-N 2 1 330.516 3.834 20 0 EHADMP c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cs1 ZINC000453134510 1027437537 /nfs/dbraw/zinc/43/75/37/1027437537.db2.gz GBVGBTXPIPZSBI-AABGKKOBSA-N 2 1 341.524 3.718 20 0 EHADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccncc1 ZINC000453134319 1027438922 /nfs/dbraw/zinc/43/89/22/1027438922.db2.gz ZFUZUNJTBNKJRK-LJQANCHMSA-N 2 1 342.487 3.639 20 0 EHADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1cccc(O)c1 ZINC000420299128 1027449735 /nfs/dbraw/zinc/44/97/35/1027449735.db2.gz GJDHLMTXQYPPIV-CRAIPNDOSA-N 2 1 328.456 3.526 20 0 EHADMP CCc1ccc(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000420310049 1027455675 /nfs/dbraw/zinc/45/56/75/1027455675.db2.gz LYEHHKJPVVNXSF-QFIPXVFZSA-N 2 1 337.511 3.831 20 0 EHADMP c1cc(C[N@H+](CCCc2ccncc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420315923 1027462961 /nfs/dbraw/zinc/46/29/61/1027462961.db2.gz SFYQHBMOBLSJQN-LJQANCHMSA-N 2 1 341.524 3.720 20 0 EHADMP Cc1ccccc1CCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420318918 1027466495 /nfs/dbraw/zinc/46/64/95/1027466495.db2.gz WVQPIVHDFPYLOW-JOCHJYFZSA-N 2 1 337.511 3.967 20 0 EHADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420322198 1027470658 /nfs/dbraw/zinc/47/06/58/1027470658.db2.gz SIAGGDKUKYNEPE-HNAYVOBHSA-N 2 1 344.890 3.541 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453160056 1027472339 /nfs/dbraw/zinc/47/23/39/1027472339.db2.gz MSRZYDKBWDARKM-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332603 1027482955 /nfs/dbraw/zinc/48/29/55/1027482955.db2.gz GOZQBMONNLTWLJ-ZFWWWQNUSA-N 2 1 348.441 3.956 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000129192627 1027531667 /nfs/dbraw/zinc/53/16/67/1027531667.db2.gz VBMYBBGWTNBWMS-INIZCTEOSA-N 2 1 331.485 3.771 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000129192627 1027531681 /nfs/dbraw/zinc/53/16/81/1027531681.db2.gz VBMYBBGWTNBWMS-INIZCTEOSA-N 2 1 331.485 3.771 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000501785509 1027533615 /nfs/dbraw/zinc/53/36/15/1027533615.db2.gz LKGONQKHMVROEL-LJQANCHMSA-N 2 1 332.532 3.861 20 0 EHADMP Cc1cc(Cl)ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595813 1027572538 /nfs/dbraw/zinc/57/25/38/1027572538.db2.gz KHVAUAFFVIBLEQ-HXUWFJFHSA-N 2 1 344.886 3.505 20 0 EHADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCCC(C)C ZINC000513725602 1027647297 /nfs/dbraw/zinc/64/72/97/1027647297.db2.gz QONHWSVZMKWDAQ-UHFFFAOYSA-N 2 1 348.531 3.894 20 0 EHADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC1CCC1 ZINC000475579070 1027699737 /nfs/dbraw/zinc/69/97/37/1027699737.db2.gz SJZYTFWHYZZXQM-UHFFFAOYSA-N 2 1 329.532 3.839 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656621 1027721999 /nfs/dbraw/zinc/72/19/99/1027721999.db2.gz IXJBCZOKRGPSLQ-LPHOPBHVSA-N 2 1 340.515 3.647 20 0 EHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656621 1027722011 /nfs/dbraw/zinc/72/20/11/1027722011.db2.gz IXJBCZOKRGPSLQ-LPHOPBHVSA-N 2 1 340.515 3.647 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000414659335 1027732476 /nfs/dbraw/zinc/73/24/76/1027732476.db2.gz LCOORZODZWUMCQ-IRXDYDNUSA-N 2 1 340.515 3.647 20 0 EHADMP CCOC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136476 1027805722 /nfs/dbraw/zinc/80/57/22/1027805722.db2.gz CMVRMKLXNFDZNP-ICSRJNTNSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136476 1027805746 /nfs/dbraw/zinc/80/57/46/1027805746.db2.gz CMVRMKLXNFDZNP-ICSRJNTNSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136476 1027805767 /nfs/dbraw/zinc/80/57/67/1027805767.db2.gz CMVRMKLXNFDZNP-ICSRJNTNSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136476 1027805790 /nfs/dbraw/zinc/80/57/90/1027805790.db2.gz CMVRMKLXNFDZNP-ICSRJNTNSA-N 2 1 346.515 3.705 20 0 EHADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422784895 1027938404 /nfs/dbraw/zinc/93/84/04/1027938404.db2.gz MTBKNSHANWZNMT-YPAWHYETSA-N 2 1 341.543 3.683 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccccc3C)CC2)CC1 ZINC000420982534 1027943472 /nfs/dbraw/zinc/94/34/72/1027943472.db2.gz PEEFSMYLNLABJH-IBGZPJMESA-N 2 1 329.532 3.548 20 0 EHADMP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422789205 1027943405 /nfs/dbraw/zinc/94/34/05/1027943405.db2.gz BJULUFFGOPCPRB-RBSFLKMASA-N 2 1 328.378 3.596 20 0 EHADMP CN(C)c1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000422804937 1027954914 /nfs/dbraw/zinc/95/49/14/1027954914.db2.gz ILVKICRFKJOCLE-UYAOXDASSA-N 2 1 332.451 3.535 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422810866 1027961119 /nfs/dbraw/zinc/96/11/19/1027961119.db2.gz OCNLUVRZRIOHAH-RBSFLKMASA-N 2 1 344.833 3.952 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422867663 1028002666 /nfs/dbraw/zinc/00/26/66/1028002666.db2.gz STHXRTOMMJXMRE-NJDAHSKKSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422867663 1028002683 /nfs/dbraw/zinc/00/26/83/1028002683.db2.gz STHXRTOMMJXMRE-NJDAHSKKSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422867663 1028002698 /nfs/dbraw/zinc/00/26/98/1028002698.db2.gz STHXRTOMMJXMRE-NJDAHSKKSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888584 1028024249 /nfs/dbraw/zinc/02/42/49/1028024249.db2.gz DATZSCPBLOWVRP-JUIKRRPHSA-N 2 1 341.543 3.537 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000502255784 1028031499 /nfs/dbraw/zinc/03/14/99/1028031499.db2.gz NTCYFPVZKCYAPA-RXVVDRJESA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255784 1028031520 /nfs/dbraw/zinc/03/15/20/1028031520.db2.gz NTCYFPVZKCYAPA-RXVVDRJESA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000502255784 1028031541 /nfs/dbraw/zinc/03/15/41/1028031541.db2.gz NTCYFPVZKCYAPA-RXVVDRJESA-N 2 1 328.500 3.706 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422904462 1028041037 /nfs/dbraw/zinc/04/10/37/1028041037.db2.gz QCPRVFGOSNREEI-SNVBAGLBSA-N 2 1 346.887 3.963 20 0 EHADMP C[C@H]([NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCC2)C1C[NH2+]C1 ZINC000422966149 1028079565 /nfs/dbraw/zinc/07/95/65/1028079565.db2.gz QTVJYAUISMWLAM-VBKZILBWSA-N 2 1 326.509 3.914 20 0 EHADMP c1coc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967033 1028080063 /nfs/dbraw/zinc/08/00/63/1028080063.db2.gz SBSWIJYZFNSXAQ-NMLBUPMWSA-N 2 1 345.531 3.707 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422959970 1028096591 /nfs/dbraw/zinc/09/65/91/1028096591.db2.gz UWPZISZXSWLWDE-DLBZAZTESA-N 2 1 331.257 3.992 20 0 EHADMP C[C@H]1C[C@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)CC[NH2+]1 ZINC000414708710 1028111294 /nfs/dbraw/zinc/11/12/94/1028111294.db2.gz PAZBHUHANSPIAB-NWDGAFQWSA-N 2 1 343.334 3.863 20 0 EHADMP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])on1 ZINC000423040614 1028146603 /nfs/dbraw/zinc/14/66/03/1028146603.db2.gz HQPVLYSHIFTCDL-UONOGXRCSA-N 2 1 339.439 3.719 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423065397 1028156821 /nfs/dbraw/zinc/15/68/21/1028156821.db2.gz UKLPOSPWXCGMEA-BMGDILEWSA-N 2 1 336.401 3.881 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1SC(F)F ZINC000161513847 1028166412 /nfs/dbraw/zinc/16/64/12/1028166412.db2.gz VWUQDIMZLSHYMJ-NSHDSACASA-N 2 1 330.444 3.755 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423117343 1028188406 /nfs/dbraw/zinc/18/84/06/1028188406.db2.gz VAFXYZXYCPXJTK-QZTJIDSGSA-N 2 1 338.442 3.903 20 0 EHADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423122980 1028190699 /nfs/dbraw/zinc/19/06/99/1028190699.db2.gz KMLRRZMKIFAVGK-XFBWCDHKSA-N 2 1 348.359 3.994 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000503925676 1028215813 /nfs/dbraw/zinc/21/58/13/1028215813.db2.gz DHZCNHHKRHKRCY-NVXWUHKLSA-N 2 1 332.479 3.539 20 0 EHADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(C)ccc1OC ZINC000423184418 1028227980 /nfs/dbraw/zinc/22/79/80/1028227980.db2.gz HYXZRFTUMLJYDC-LJQANCHMSA-N 2 1 327.472 3.619 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2c1c(Br)ccc2F)[C@H]1CCC[NH2+]C1 ZINC000423205708 1028252915 /nfs/dbraw/zinc/25/29/15/1028252915.db2.gz BDRUTXJVEKDAEE-ZIBATOQPSA-N 2 1 341.268 3.553 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000423208146 1028253119 /nfs/dbraw/zinc/25/31/19/1028253119.db2.gz DDNOFTLKKJCXQB-GRYCIOLGSA-N 2 1 329.257 3.627 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423198970 1028267547 /nfs/dbraw/zinc/26/75/47/1028267547.db2.gz IWHOZUCZDLUIKO-MRXNPFEDSA-N 2 1 346.519 3.919 20 0 EHADMP CCn1ccnc1C[N@@H+](CC1CCC(C)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000414723972 1028272555 /nfs/dbraw/zinc/27/25/55/1028272555.db2.gz QUMHVACSBFMEHC-ACBHZAAOSA-N 2 1 344.547 3.673 20 0 EHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423258813 1028319763 /nfs/dbraw/zinc/31/97/63/1028319763.db2.gz CNCHNVQBSKGDHT-AUUYWEPGSA-N 2 1 344.503 3.529 20 0 EHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368398 1028321764 /nfs/dbraw/zinc/32/17/64/1028321764.db2.gz UPJALZJJUNPGHZ-PZJWPPBQSA-N 2 1 342.527 3.572 20 0 EHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368398 1028321776 /nfs/dbraw/zinc/32/17/76/1028321776.db2.gz UPJALZJJUNPGHZ-PZJWPPBQSA-N 2 1 342.527 3.572 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000421368771 1028326377 /nfs/dbraw/zinc/32/63/77/1028326377.db2.gz GKPMHASGEOECFP-CZIZESTLSA-N 2 1 341.543 3.582 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423290751 1028329387 /nfs/dbraw/zinc/32/93/87/1028329387.db2.gz FIDSQHQNYKIKMY-SPEDKVCISA-N 3 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423290751 1028329406 /nfs/dbraw/zinc/32/94/06/1028329406.db2.gz FIDSQHQNYKIKMY-SPEDKVCISA-N 2 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423290751 1028329421 /nfs/dbraw/zinc/32/94/21/1028329421.db2.gz FIDSQHQNYKIKMY-SPEDKVCISA-N 2 1 337.511 3.707 20 0 EHADMP C[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730536 1028335114 /nfs/dbraw/zinc/33/51/14/1028335114.db2.gz DSWPKNOHRMZEGL-CZUORRHYSA-N 2 1 325.294 3.627 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423320997 1028352703 /nfs/dbraw/zinc/35/27/03/1028352703.db2.gz FWAJXXLRLWTCFY-LIRRHRJNSA-N 2 1 346.906 3.874 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CCc2ccsc2)cc1 ZINC000423346900 1028361417 /nfs/dbraw/zinc/36/14/17/1028361417.db2.gz ZILUZIPYLOWCOB-RYGJVYDSSA-N 2 1 344.524 3.813 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964982 1028376806 /nfs/dbraw/zinc/37/68/06/1028376806.db2.gz ZHNPAKBBIAEXQN-VAMGGRTRSA-N 2 1 328.500 3.731 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964982 1028376823 /nfs/dbraw/zinc/37/68/23/1028376823.db2.gz ZHNPAKBBIAEXQN-VAMGGRTRSA-N 2 1 328.500 3.731 20 0 EHADMP CSC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423388800 1028402201 /nfs/dbraw/zinc/40/22/01/1028402201.db2.gz IXXWPWGITAIOGM-DFBGVHRSSA-N 2 1 332.435 3.697 20 0 EHADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccc(F)cc2)cc1 ZINC000423403965 1028422873 /nfs/dbraw/zinc/42/28/73/1028422873.db2.gz SIVXWCYBFKHEIG-VOBQZIQPSA-N 2 1 328.431 3.511 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414743393 1028434789 /nfs/dbraw/zinc/43/47/89/1028434789.db2.gz IXGCDWHSMAXPEN-NUJGCVRESA-N 2 1 340.471 3.652 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194044442 1028483896 /nfs/dbraw/zinc/48/38/96/1028483896.db2.gz KIMRBLFHPKFDMV-QYRPDUKASA-N 2 1 340.511 3.759 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000246996604 1028723810 /nfs/dbraw/zinc/72/38/10/1028723810.db2.gz KLYBDKWBMUMVSJ-ZWKOTPCHSA-N 2 1 341.503 3.573 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccn1 ZINC000247077212 1028741671 /nfs/dbraw/zinc/74/16/71/1028741671.db2.gz OPRNUROYDUXOPN-FGTMMUONSA-N 2 1 338.499 3.805 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccn1 ZINC000247077212 1028741688 /nfs/dbraw/zinc/74/16/88/1028741688.db2.gz OPRNUROYDUXOPN-FGTMMUONSA-N 2 1 338.499 3.805 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCn2cccn2)C1 ZINC000247079967 1028742355 /nfs/dbraw/zinc/74/23/55/1028742355.db2.gz VPDODSOLZFCZPT-PMACEKPBSA-N 2 1 332.536 3.640 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000247079967 1028742369 /nfs/dbraw/zinc/74/23/69/1028742369.db2.gz VPDODSOLZFCZPT-PMACEKPBSA-N 2 1 332.536 3.640 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000247079967 1028742380 /nfs/dbraw/zinc/74/23/80/1028742380.db2.gz VPDODSOLZFCZPT-PMACEKPBSA-N 2 1 332.536 3.640 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771663 1028765280 /nfs/dbraw/zinc/76/52/80/1028765280.db2.gz AFKRSTSLVKACBI-CHWSQXEVSA-N 2 1 344.833 3.763 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771634 1028765673 /nfs/dbraw/zinc/76/56/73/1028765673.db2.gz ABTLGFYYRYZTRV-IRXDYDNUSA-N 2 1 327.497 3.632 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826340 1028813745 /nfs/dbraw/zinc/81/37/45/1028813745.db2.gz RXMWDNRSGOASCL-QRWLVFNGSA-N 2 1 334.479 3.995 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826340 1028813767 /nfs/dbraw/zinc/81/37/67/1028813767.db2.gz RXMWDNRSGOASCL-QRWLVFNGSA-N 2 1 334.479 3.995 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C(C)C)c(F)c1 ZINC000421826875 1028815778 /nfs/dbraw/zinc/81/57/78/1028815778.db2.gz VDSIBECJRZJHLN-AUUYWEPGSA-N 2 1 333.451 3.962 20 0 EHADMP CC(C)n1cncc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424149126 1028837676 /nfs/dbraw/zinc/83/76/76/1028837676.db2.gz BBSOSFDWYRVJFA-ICSRJNTNSA-N 2 1 340.515 3.854 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000248030182 1028839974 /nfs/dbraw/zinc/83/99/74/1028839974.db2.gz XKAZFYFGIZDJMZ-GOSISDBHSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000248030182 1028839995 /nfs/dbraw/zinc/83/99/95/1028839995.db2.gz XKAZFYFGIZDJMZ-GOSISDBHSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000248030182 1028840014 /nfs/dbraw/zinc/84/00/14/1028840014.db2.gz XKAZFYFGIZDJMZ-GOSISDBHSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502918621 1028862027 /nfs/dbraw/zinc/86/20/27/1028862027.db2.gz ISDHETLAACMFGN-QGZVFWFLSA-N 2 1 342.487 3.711 20 0 EHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502918621 1028862047 /nfs/dbraw/zinc/86/20/47/1028862047.db2.gz ISDHETLAACMFGN-QGZVFWFLSA-N 2 1 342.487 3.711 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777981 1028878177 /nfs/dbraw/zinc/87/81/77/1028878177.db2.gz ISQUSCONTBVHLS-QWHCGFSZSA-N 2 1 330.369 3.666 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC000424296366 1028938472 /nfs/dbraw/zinc/93/84/72/1028938472.db2.gz FSMMZXFQJODKFA-TZMRYXNNSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000424295845 1028938769 /nfs/dbraw/zinc/93/87/69/1028938769.db2.gz RJDIWTCHXNCMGF-OAHLLOKOSA-N 2 1 327.497 3.774 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000248744410 1028944660 /nfs/dbraw/zinc/94/46/60/1028944660.db2.gz ATOLXFRBLVOGOF-WTGUMLROSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(OCC(F)(F)F)c1)CC[NH2+]CC2 ZINC000424283818 1028957387 /nfs/dbraw/zinc/95/73/87/1028957387.db2.gz CGTHEPJGOPYQSE-CQSZACIVSA-N 2 1 342.405 3.592 20 0 EHADMP Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780264 1028959346 /nfs/dbraw/zinc/95/93/46/1028959346.db2.gz LFJMXVACGWTAPZ-CHWSQXEVSA-N 2 1 330.369 3.666 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245664294 1028987661 /nfs/dbraw/zinc/98/76/61/1028987661.db2.gz GIKCSTBDZBWDMF-MYGLTJDJSA-N 2 1 344.543 3.816 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368515 1029032621 /nfs/dbraw/zinc/03/26/21/1029032621.db2.gz AFJPEPIXZUCASS-GFCCVEGCSA-N 2 1 330.369 3.809 20 0 EHADMP CCCOc1c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cccc1OCC ZINC000424374635 1029034588 /nfs/dbraw/zinc/03/45/88/1029034588.db2.gz IMSFGZFSGRGBEJ-QGZVFWFLSA-N 2 1 346.515 3.838 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000245714750 1029116517 /nfs/dbraw/zinc/11/65/17/1029116517.db2.gz NTUZSJLMBIPCSE-RZXSNQJFSA-N 2 1 328.500 3.587 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)C)cc1 ZINC000271810524 1029181038 /nfs/dbraw/zinc/18/10/38/1029181038.db2.gz YPZTYCCJODDFHJ-FQEVSTJZSA-N 2 1 346.515 3.627 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000414807376 1029254657 /nfs/dbraw/zinc/25/46/57/1029254657.db2.gz CSIYJVVKZHNOBI-LZJOCLMNSA-N 3 1 329.532 3.839 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000161639964 1029256998 /nfs/dbraw/zinc/25/69/98/1029256998.db2.gz IEQXKVUPTKTIJR-WIYYLYMNSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000272310100 1029408600 /nfs/dbraw/zinc/40/86/00/1029408600.db2.gz IRORECDHPHJPQW-TWOQFEAHSA-N 2 1 338.499 3.655 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCCO1 ZINC000272401568 1029449093 /nfs/dbraw/zinc/44/90/93/1029449093.db2.gz JGRNAJQJPPAKJH-BWUHRYBWSA-N 2 1 328.500 3.729 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000261770331 1029501421 /nfs/dbraw/zinc/50/14/21/1029501421.db2.gz DPZVAFHYMJBVNL-UFRUDQCGSA-N 2 1 336.483 3.564 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000261770331 1029501434 /nfs/dbraw/zinc/50/14/34/1029501434.db2.gz DPZVAFHYMJBVNL-UFRUDQCGSA-N 2 1 336.483 3.564 20 0 EHADMP Fc1cc(Br)cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000262016318 1029550423 /nfs/dbraw/zinc/55/04/23/1029550423.db2.gz VSTMDXFOVYIBKU-MRXNPFEDSA-N 2 1 341.268 3.725 20 0 EHADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cn2c1 ZINC000272665816 1029557033 /nfs/dbraw/zinc/55/70/33/1029557033.db2.gz JARNOCFKEAVNDV-UHFFFAOYSA-N 2 1 348.494 3.918 20 0 EHADMP C[C@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272694665 1029569439 /nfs/dbraw/zinc/56/94/39/1029569439.db2.gz WTQDFOHVUNATIV-QFBILLFUSA-N 2 1 343.902 3.778 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)s2)o1 ZINC000343195012 1029707502 /nfs/dbraw/zinc/70/75/02/1029707502.db2.gz ZJTVDPBKRUDXIC-LBPRGKRZSA-N 2 1 330.457 3.642 20 0 EHADMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709584 1029771639 /nfs/dbraw/zinc/77/16/39/1029771639.db2.gz IEOQKCBVMBFQMD-XLIONFOSSA-N 2 1 326.459 3.868 20 0 EHADMP CC(C)[NH+](CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709005 1029776491 /nfs/dbraw/zinc/77/64/91/1029776491.db2.gz FRKBMEPZVSOEPP-IRLDBZIGSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000508709005 1029776499 /nfs/dbraw/zinc/77/64/99/1029776499.db2.gz FRKBMEPZVSOEPP-IRLDBZIGSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709005 1029776507 /nfs/dbraw/zinc/77/65/07/1029776507.db2.gz FRKBMEPZVSOEPP-IRLDBZIGSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508711416 1029783989 /nfs/dbraw/zinc/78/39/89/1029783989.db2.gz ASXUADNAIMNNJM-PZJWPPBQSA-N 2 1 331.548 3.605 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000093065963 1029793088 /nfs/dbraw/zinc/79/30/88/1029793088.db2.gz YWUUFFPEZNAFSX-UHFFFAOYSA-N 2 1 329.513 3.762 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000093065963 1029793094 /nfs/dbraw/zinc/79/30/94/1029793094.db2.gz YWUUFFPEZNAFSX-UHFFFAOYSA-N 2 1 329.513 3.762 20 0 EHADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453217468 1029925317 /nfs/dbraw/zinc/92/53/17/1029925317.db2.gz KMLMUHLDQMHYHD-QGLKVJOYSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000089615219 1029952072 /nfs/dbraw/zinc/95/20/72/1029952072.db2.gz XSDKGYSGCSYYQM-HOTGVXAUSA-N 2 1 348.450 3.859 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@@H](C)C1 ZINC000453247993 1029974677 /nfs/dbraw/zinc/97/46/77/1029974677.db2.gz BQJFNIIRFTUUEC-HRAATJIYSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@@H](C)C1 ZINC000453247993 1029974684 /nfs/dbraw/zinc/97/46/84/1029974684.db2.gz BQJFNIIRFTUUEC-HRAATJIYSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@H](C)C1 ZINC000453247996 1029978092 /nfs/dbraw/zinc/97/80/92/1029978092.db2.gz BQJFNIIRFTUUEC-IERDGZPVSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@H](C)C1 ZINC000453247996 1029978105 /nfs/dbraw/zinc/97/81/05/1029978105.db2.gz BQJFNIIRFTUUEC-IERDGZPVSA-N 2 1 348.506 3.930 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706245 1029991929 /nfs/dbraw/zinc/99/19/29/1029991929.db2.gz GYKAQYRZJVGVGM-PCCBWWKXSA-N 2 1 330.516 3.603 20 0 EHADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650710153 1030039456 /nfs/dbraw/zinc/03/94/56/1030039456.db2.gz GEFPYQCGDNPJIN-GDBMZVCRSA-N 2 1 329.419 3.633 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000650711142 1030057143 /nfs/dbraw/zinc/05/71/43/1030057143.db2.gz JSLOTMRYUDOYEF-DYVFJYSZSA-N 2 1 333.476 3.899 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000650711142 1030057162 /nfs/dbraw/zinc/05/71/62/1030057162.db2.gz JSLOTMRYUDOYEF-DYVFJYSZSA-N 2 1 333.476 3.899 20 0 EHADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667969986 1030064341 /nfs/dbraw/zinc/06/43/41/1030064341.db2.gz ZHIDXMLSFXTJKC-IERDGZPVSA-N 2 1 348.450 3.859 20 0 EHADMP CC(C)(O)C(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453340089 1030124126 /nfs/dbraw/zinc/12/41/26/1030124126.db2.gz BYRUNZSHRVGDSG-REPLKXPHSA-N 2 1 330.516 3.569 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOc3ccccc3)CC23CC3)cc1 ZINC000567851468 1030145848 /nfs/dbraw/zinc/14/58/48/1030145848.db2.gz JTENKMNUZSVYKT-FQEVSTJZSA-N 2 1 336.479 3.852 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCOc3ccccc3)CC23CC3)cc1 ZINC000567851468 1030145857 /nfs/dbraw/zinc/14/58/57/1030145857.db2.gz JTENKMNUZSVYKT-FQEVSTJZSA-N 2 1 336.479 3.852 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722749 1030195638 /nfs/dbraw/zinc/19/56/38/1030195638.db2.gz ALXGDEJBUDRWEH-UHOSZYNNSA-N 2 1 336.907 3.818 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)ccc1C ZINC000482146313 1030236611 /nfs/dbraw/zinc/23/66/11/1030236611.db2.gz AGFYHQHNVOZJDQ-OALUTQOASA-N 2 1 345.531 3.732 20 0 EHADMP CC[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000531991671 1030236828 /nfs/dbraw/zinc/23/68/28/1030236828.db2.gz NHAUGMFUFLDZTF-OSZJIOELSA-N 2 1 344.543 3.938 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636177 1030256886 /nfs/dbraw/zinc/25/68/86/1030256886.db2.gz QCSLPJGBHUPBCZ-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636177 1030256901 /nfs/dbraw/zinc/25/69/01/1030256901.db2.gz QCSLPJGBHUPBCZ-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636177 1030256917 /nfs/dbraw/zinc/25/69/17/1030256917.db2.gz QCSLPJGBHUPBCZ-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000537636177 1030256927 /nfs/dbraw/zinc/25/69/27/1030256927.db2.gz QCSLPJGBHUPBCZ-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP FC(F)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000631123491 1030262203 /nfs/dbraw/zinc/26/22/03/1030262203.db2.gz IBMXLDUYVUPKPQ-KRWDZBQOSA-N 2 1 331.410 3.631 20 0 EHADMP Cc1cc(Br)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000453557532 1030327854 /nfs/dbraw/zinc/32/78/54/1030327854.db2.gz BPGCPTXHRORGMN-UHFFFAOYSA-N 2 1 340.290 3.922 20 0 EHADMP CCCc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482312012 1030328852 /nfs/dbraw/zinc/32/88/52/1030328852.db2.gz BIJUCMHHWLWXAI-GOSISDBHSA-N 2 1 331.548 3.563 20 0 EHADMP CC(C)c1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482349088 1030341254 /nfs/dbraw/zinc/34/12/54/1030341254.db2.gz HMROVLLWBOAZEM-GOSISDBHSA-N 2 1 331.548 3.734 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1csc(-c2ccc(F)cc2)n1)C1CC1 ZINC000453603201 1030389896 /nfs/dbraw/zinc/38/98/96/1030389896.db2.gz QFOWIIWSCHKNTM-UHFFFAOYSA-N 2 1 333.476 3.913 20 0 EHADMP CCCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000092253677 1030419297 /nfs/dbraw/zinc/41/92/97/1030419297.db2.gz IPKLGYMHLLVEBT-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000092253677 1030419305 /nfs/dbraw/zinc/41/93/05/1030419305.db2.gz IPKLGYMHLLVEBT-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000092253677 1030419313 /nfs/dbraw/zinc/41/93/13/1030419313.db2.gz IPKLGYMHLLVEBT-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000092253677 1030419321 /nfs/dbraw/zinc/41/93/21/1030419321.db2.gz IPKLGYMHLLVEBT-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)[C@H](C)C1 ZINC000122309761 1030585504 /nfs/dbraw/zinc/58/55/04/1030585504.db2.gz XDSORJNOPUWRCV-JRGCBEDISA-N 2 1 330.516 3.709 20 0 EHADMP CC(C)Oc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000171501982 1030784440 /nfs/dbraw/zinc/78/44/40/1030784440.db2.gz OSIWIKZCTZMBNT-UHFFFAOYSA-N 2 1 327.472 3.662 20 0 EHADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551000732 1030889680 /nfs/dbraw/zinc/88/96/80/1030889680.db2.gz SCECLARWHZCCJL-LEWJYISDSA-N 2 1 329.532 3.534 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000380420010 1030915888 /nfs/dbraw/zinc/91/58/88/1030915888.db2.gz JRNDFXPRYICPIK-BFYDXBDKSA-N 2 1 335.289 3.653 20 0 EHADMP Cc1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000527534846 1030954755 /nfs/dbraw/zinc/95/47/55/1030954755.db2.gz NNQDUIFPBGNNCS-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000527534846 1030954772 /nfs/dbraw/zinc/95/47/72/1030954772.db2.gz NNQDUIFPBGNNCS-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000527534846 1030954783 /nfs/dbraw/zinc/95/47/83/1030954783.db2.gz NNQDUIFPBGNNCS-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccn1 ZINC000527534846 1030954798 /nfs/dbraw/zinc/95/47/98/1030954798.db2.gz NNQDUIFPBGNNCS-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680869 1030966721 /nfs/dbraw/zinc/96/67/21/1030966721.db2.gz UYGBNMVOWLNIOO-HIFRSBDPSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680869 1030966737 /nfs/dbraw/zinc/96/67/37/1030966737.db2.gz UYGBNMVOWLNIOO-HIFRSBDPSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680869 1030966742 /nfs/dbraw/zinc/96/67/42/1030966742.db2.gz UYGBNMVOWLNIOO-HIFRSBDPSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680869 1030966757 /nfs/dbraw/zinc/96/67/57/1030966757.db2.gz UYGBNMVOWLNIOO-HIFRSBDPSA-N 2 1 328.859 3.663 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000551083503 1031023433 /nfs/dbraw/zinc/02/34/33/1031023433.db2.gz FDMZPKDWQKQDIW-UWHLTILDSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000551083503 1031023449 /nfs/dbraw/zinc/02/34/49/1031023449.db2.gz FDMZPKDWQKQDIW-UWHLTILDSA-N 2 1 330.516 3.743 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527644973 1031071599 /nfs/dbraw/zinc/07/15/99/1031071599.db2.gz LHCDDDXJVFWDBZ-WOJBJXKFSA-N 2 1 330.516 3.539 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296585 1031096502 /nfs/dbraw/zinc/09/65/02/1031096502.db2.gz RNLNNVVRAIEFTN-FQEVSTJZSA-N 2 1 328.500 3.639 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296585 1031096518 /nfs/dbraw/zinc/09/65/18/1031096518.db2.gz RNLNNVVRAIEFTN-FQEVSTJZSA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296585 1031096535 /nfs/dbraw/zinc/09/65/35/1031096535.db2.gz RNLNNVVRAIEFTN-FQEVSTJZSA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296585 1031096551 /nfs/dbraw/zinc/09/65/51/1031096551.db2.gz RNLNNVVRAIEFTN-FQEVSTJZSA-N 2 1 328.500 3.639 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000173928769 1031132126 /nfs/dbraw/zinc/13/21/26/1031132126.db2.gz ADLATABCOXIXCX-KSZLIROESA-N 2 1 339.483 3.542 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC4CCCC4)c3)CC[C@H]21 ZINC000537698326 1031139610 /nfs/dbraw/zinc/13/96/10/1031139610.db2.gz WGKQNWKPPATMNE-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CC[C@H]21 ZINC000537698326 1031139613 /nfs/dbraw/zinc/13/96/13/1031139613.db2.gz WGKQNWKPPATMNE-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CC[C@H]21 ZINC000537698326 1031139616 /nfs/dbraw/zinc/13/96/16/1031139616.db2.gz WGKQNWKPPATMNE-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCC1 ZINC000551258917 1031163756 /nfs/dbraw/zinc/16/37/56/1031163756.db2.gz LUOHIUNWERXMOF-QHAWAJNXSA-N 2 1 342.527 3.836 20 0 EHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263814 1031175626 /nfs/dbraw/zinc/17/56/26/1031175626.db2.gz UELDRLMSUPLTSY-QKNQBKEWSA-N 2 1 344.543 3.939 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2cccs2)[C@H](C)C1 ZINC000483748705 1031317048 /nfs/dbraw/zinc/31/70/48/1031317048.db2.gz WDOMFXIPLPDWSP-LMMKCTJWSA-N 2 1 338.561 3.653 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484140957 1031466795 /nfs/dbraw/zinc/46/67/95/1031466795.db2.gz GTLBMIBMAJTNFN-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484140957 1031466800 /nfs/dbraw/zinc/46/68/00/1031466800.db2.gz GTLBMIBMAJTNFN-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000484141166 1031467576 /nfs/dbraw/zinc/46/75/76/1031467576.db2.gz WDODSOHUBRHOFA-GIVPXCGWSA-N 2 1 332.532 3.674 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000484134495 1031473950 /nfs/dbraw/zinc/47/39/50/1031473950.db2.gz KWJSTKOKXTTYCN-OXQOHEQNSA-N 2 1 344.524 3.598 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000484134495 1031473960 /nfs/dbraw/zinc/47/39/60/1031473960.db2.gz KWJSTKOKXTTYCN-OXQOHEQNSA-N 2 1 344.524 3.598 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998180 1031482710 /nfs/dbraw/zinc/48/27/10/1031482710.db2.gz GUKKRBBSFYEMBD-ZDUSSCGKSA-N 2 1 330.806 3.706 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774323 1031606652 /nfs/dbraw/zinc/60/66/52/1031606652.db2.gz NPYDBVQSNDDXLL-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774323 1031606657 /nfs/dbraw/zinc/60/66/57/1031606657.db2.gz NPYDBVQSNDDXLL-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774323 1031606662 /nfs/dbraw/zinc/60/66/62/1031606662.db2.gz NPYDBVQSNDDXLL-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774323 1031606669 /nfs/dbraw/zinc/60/66/69/1031606669.db2.gz NPYDBVQSNDDXLL-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCCC[NH+]2C)CC1)CC1CC1 ZINC000537845359 1031962196 /nfs/dbraw/zinc/96/21/96/1031962196.db2.gz DQPZJMMEKMIUAU-OAQYLSRUSA-N 3 1 335.580 3.695 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1)CC1CC1 ZINC000537845359 1031962304 /nfs/dbraw/zinc/96/23/04/1031962304.db2.gz DQPZJMMEKMIUAU-OAQYLSRUSA-N 3 1 335.580 3.695 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1)CC1CC1 ZINC000537845359 1031962395 /nfs/dbraw/zinc/96/23/95/1031962395.db2.gz DQPZJMMEKMIUAU-OAQYLSRUSA-N 3 1 335.580 3.695 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1)CC1CC1 ZINC000537845359 1031962478 /nfs/dbraw/zinc/96/24/78/1031962478.db2.gz DQPZJMMEKMIUAU-OAQYLSRUSA-N 2 1 335.580 3.695 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1)CC1CC1 ZINC000537845359 1031962587 /nfs/dbraw/zinc/96/25/87/1031962587.db2.gz DQPZJMMEKMIUAU-OAQYLSRUSA-N 2 1 335.580 3.695 20 0 EHADMP CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000536652171 1032037387 /nfs/dbraw/zinc/03/73/87/1032037387.db2.gz ANZBJQPOSYMETL-UHFFFAOYSA-N 2 1 334.504 3.646 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138347 1032050152 /nfs/dbraw/zinc/05/01/52/1032050152.db2.gz NZQICJLRRKOLQI-GCJKJVERSA-N 2 1 336.479 3.794 20 0 EHADMP CC[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456475 1033345694 /nfs/dbraw/zinc/34/56/94/1033345694.db2.gz XZWATEJKRMVTEU-UHFFFAOYSA-N 2 1 329.513 3.716 20 0 EHADMP CC[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456475 1033345711 /nfs/dbraw/zinc/34/57/11/1033345711.db2.gz XZWATEJKRMVTEU-UHFFFAOYSA-N 2 1 329.513 3.716 20 0 EHADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898250224 1033407810 /nfs/dbraw/zinc/40/78/10/1033407810.db2.gz OBXVABQKTBAMBH-UNMCSNQZSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898250224 1033407817 /nfs/dbraw/zinc/40/78/17/1033407817.db2.gz OBXVABQKTBAMBH-UNMCSNQZSA-N 2 1 335.495 3.890 20 0 EHADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000472337419 1033466996 /nfs/dbraw/zinc/46/69/96/1033466996.db2.gz HZTWQWTWRKRHKH-LEWJYISDSA-N 2 1 340.515 3.636 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708580711 1033570571 /nfs/dbraw/zinc/57/05/71/1033570571.db2.gz AOSNAWLLDFHHKJ-XLIONFOSSA-N 2 1 326.459 3.992 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708580711 1033570581 /nfs/dbraw/zinc/57/05/81/1033570581.db2.gz AOSNAWLLDFHHKJ-XLIONFOSSA-N 2 1 326.459 3.992 20 0 EHADMP Cc1nc(C)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000685581718 1033587547 /nfs/dbraw/zinc/58/75/47/1033587547.db2.gz LTUHDXGCTJAGLZ-IBGZPJMESA-N 2 1 327.472 3.682 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550621342 1033736604 /nfs/dbraw/zinc/73/66/04/1033736604.db2.gz JLDGLTVVBKTTCZ-ICSRJNTNSA-N 2 1 328.431 3.630 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550621342 1033736622 /nfs/dbraw/zinc/73/66/22/1033736622.db2.gz JLDGLTVVBKTTCZ-ICSRJNTNSA-N 2 1 328.431 3.630 20 0 EHADMP CN(C)c1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000608510647 1033739247 /nfs/dbraw/zinc/73/92/47/1033739247.db2.gz NDMKRHGHPJYJFA-OAQYLSRUSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000608510647 1033739260 /nfs/dbraw/zinc/73/92/60/1033739260.db2.gz NDMKRHGHPJYJFA-OAQYLSRUSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000608510647 1033739270 /nfs/dbraw/zinc/73/92/70/1033739270.db2.gz NDMKRHGHPJYJFA-OAQYLSRUSA-N 2 1 337.511 3.707 20 0 EHADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2ccc(Cl)cc21 ZINC000574977260 1033749663 /nfs/dbraw/zinc/74/96/63/1033749663.db2.gz FMDBXUPKFVWMAE-GBESFXJTSA-N 2 1 345.918 3.837 20 0 EHADMP Clc1ccc(Br)cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000225257447 1033799240 /nfs/dbraw/zinc/79/92/40/1033799240.db2.gz COYTUCWBMHJNSG-ZIAGYGMSSA-N 2 1 343.696 3.819 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639629 1033801948 /nfs/dbraw/zinc/80/19/48/1033801948.db2.gz MMDLQEZMINRLEN-ZBFHGGJFSA-N 2 1 326.431 3.759 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639629 1033801953 /nfs/dbraw/zinc/80/19/53/1033801953.db2.gz MMDLQEZMINRLEN-ZBFHGGJFSA-N 2 1 326.431 3.759 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639629 1033801960 /nfs/dbraw/zinc/80/19/60/1033801960.db2.gz MMDLQEZMINRLEN-ZBFHGGJFSA-N 2 1 326.431 3.759 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639629 1033801967 /nfs/dbraw/zinc/80/19/67/1033801967.db2.gz MMDLQEZMINRLEN-ZBFHGGJFSA-N 2 1 326.431 3.759 20 0 EHADMP CCCOc1c(C[NH2+]CCCn2cc[nH+]c2C)cccc1OCC ZINC000069754164 1033862148 /nfs/dbraw/zinc/86/21/48/1033862148.db2.gz WECJRNCYGLCRGS-UHFFFAOYSA-N 2 1 331.460 3.559 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)[C@H]1c1cccs1 ZINC000548858199 1033885881 /nfs/dbraw/zinc/88/58/81/1033885881.db2.gz WVKLYXCYRQJQBA-NXHRZFHOSA-N 2 1 334.529 3.680 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)[C@H]1c1cccs1 ZINC000548858199 1033885898 /nfs/dbraw/zinc/88/58/98/1033885898.db2.gz WVKLYXCYRQJQBA-NXHRZFHOSA-N 2 1 334.529 3.680 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001168313446 1033945470 /nfs/dbraw/zinc/94/54/70/1033945470.db2.gz CZXPCJGJWKDJQP-UHFFFAOYSA-N 2 1 346.515 3.703 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccs1 ZINC000658143133 1033989577 /nfs/dbraw/zinc/98/95/77/1033989577.db2.gz WVEPDLCMYPRVSP-ROUUACIJSA-N 2 1 330.497 3.556 20 0 EHADMP Fc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nc1 ZINC000529546043 1034153462 /nfs/dbraw/zinc/15/34/62/1034153462.db2.gz DKKYHOUEWCYJJZ-UHFFFAOYSA-N 2 1 327.447 3.887 20 0 EHADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316781 1034192432 /nfs/dbraw/zinc/19/24/32/1034192432.db2.gz HDYGJHZFWUKHNU-HKUYNNGSSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(Br)CC1 ZINC000924528330 1034200887 /nfs/dbraw/zinc/20/08/87/1034200887.db2.gz GGKHMFVEGPEONV-AWEZNQCLSA-N 2 1 337.305 3.557 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@@H+]1Cc1ccccc1 ZINC000421837048 1034249572 /nfs/dbraw/zinc/24/95/72/1034249572.db2.gz RWPFRQGJIQOYRE-QIJUGHKUSA-N 2 1 349.522 3.972 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@H+]1Cc1ccccc1 ZINC000421837048 1034249585 /nfs/dbraw/zinc/24/95/85/1034249585.db2.gz RWPFRQGJIQOYRE-QIJUGHKUSA-N 2 1 349.522 3.972 20 0 EHADMP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000892467079 1034430695 /nfs/dbraw/zinc/43/06/95/1034430695.db2.gz IEUAOHWOEXXHAR-UHFFFAOYSA-N 2 1 328.456 3.954 20 0 EHADMP CSc1cc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000340274540 1034473401 /nfs/dbraw/zinc/47/34/01/1034473401.db2.gz QNWHIKRYZIQRNF-ROUUACIJSA-N 2 1 327.497 3.729 20 0 EHADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604773154 1034487832 /nfs/dbraw/zinc/48/78/32/1034487832.db2.gz COWQUPJJPUSAOH-YQVWRLOYSA-N 2 1 347.547 3.517 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)c1 ZINC000343811903 1034555732 /nfs/dbraw/zinc/55/57/32/1034555732.db2.gz SJWKDMGGGYQKRF-UHFFFAOYSA-N 2 1 349.482 3.602 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000628237593 1034566384 /nfs/dbraw/zinc/56/63/84/1034566384.db2.gz SDAXJJKYXXIEAQ-HSALFYBXSA-N 2 1 339.483 3.682 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000628237593 1034566395 /nfs/dbraw/zinc/56/63/95/1034566395.db2.gz SDAXJJKYXXIEAQ-HSALFYBXSA-N 2 1 339.483 3.682 20 0 EHADMP COC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000391002556 1034928327 /nfs/dbraw/zinc/92/83/27/1034928327.db2.gz HDWHNAWZEUBUFH-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000391002556 1034928336 /nfs/dbraw/zinc/92/83/36/1034928336.db2.gz HDWHNAWZEUBUFH-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP C[NH+](C)CC1(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000584484271 1035007987 /nfs/dbraw/zinc/00/79/87/1035007987.db2.gz WYIYMVGRMHTPTR-UXHICEINSA-N 2 1 329.532 3.534 20 0 EHADMP CN1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C[C@H]1c1ccccc1 ZINC000584484271 1035007996 /nfs/dbraw/zinc/00/79/96/1035007996.db2.gz WYIYMVGRMHTPTR-UXHICEINSA-N 3 1 329.532 3.534 20 0 EHADMP CC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570212748 1035127541 /nfs/dbraw/zinc/12/75/41/1035127541.db2.gz VYXNQBHRQOVMLM-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000570223088 1035138499 /nfs/dbraw/zinc/13/84/99/1035138499.db2.gz LZZRFDIDCXSBAA-KRWDZBQOSA-N 2 1 348.288 3.952 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000570223088 1035138505 /nfs/dbraw/zinc/13/85/05/1035138505.db2.gz LZZRFDIDCXSBAA-KRWDZBQOSA-N 2 1 348.288 3.952 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C(C)C)c2C1 ZINC001125798908 1035166916 /nfs/dbraw/zinc/16/69/16/1035166916.db2.gz IIXIVYHOGCTYJM-HXUWFJFHSA-N 2 1 343.515 3.860 20 0 EHADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)c2C1 ZINC001125798908 1035166920 /nfs/dbraw/zinc/16/69/20/1035166920.db2.gz IIXIVYHOGCTYJM-HXUWFJFHSA-N 2 1 343.515 3.860 20 0 EHADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C(C)C)c2C1 ZINC001125798908 1035166927 /nfs/dbraw/zinc/16/69/27/1035166927.db2.gz IIXIVYHOGCTYJM-HXUWFJFHSA-N 2 1 343.515 3.860 20 0 EHADMP CC(C)n1nccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280892958 1035287798 /nfs/dbraw/zinc/28/77/98/1035287798.db2.gz NWYDHGREIHJITA-IHWFROFDSA-N 2 1 338.499 3.749 20 0 EHADMP CC(C)n1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000280892958 1035287802 /nfs/dbraw/zinc/28/78/02/1035287802.db2.gz NWYDHGREIHJITA-IHWFROFDSA-N 2 1 338.499 3.749 20 0 EHADMP CC(C)n1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280892958 1035287805 /nfs/dbraw/zinc/28/78/05/1035287805.db2.gz NWYDHGREIHJITA-IHWFROFDSA-N 2 1 338.499 3.749 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414062201 1035422916 /nfs/dbraw/zinc/42/29/16/1035422916.db2.gz KZRLZIKIFWEFTO-INIZCTEOSA-N 2 1 326.488 3.522 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230508 1035507113 /nfs/dbraw/zinc/50/71/13/1035507113.db2.gz XSKKKRVKAPBMFO-UKAVVXHISA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230508 1035507117 /nfs/dbraw/zinc/50/71/17/1035507117.db2.gz XSKKKRVKAPBMFO-UKAVVXHISA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230508 1035507118 /nfs/dbraw/zinc/50/71/18/1035507118.db2.gz XSKKKRVKAPBMFO-UKAVVXHISA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230508 1035507122 /nfs/dbraw/zinc/50/71/22/1035507122.db2.gz XSKKKRVKAPBMFO-UKAVVXHISA-N 2 1 330.516 3.786 20 0 EHADMP COC[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1F ZINC000571668820 1035583527 /nfs/dbraw/zinc/58/35/27/1035583527.db2.gz XAHPPKSTAGNVMV-PBHICJAKSA-N 2 1 342.886 3.877 20 0 EHADMP Clc1cc2c(s1)CC[C@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000644166254 1035739973 /nfs/dbraw/zinc/73/99/73/1035739973.db2.gz IELVDSITXXYIHN-CYBMUJFWSA-N 2 1 337.876 3.634 20 0 EHADMP CC(C)[NH+](CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000174026485 1035762613 /nfs/dbraw/zinc/76/26/13/1035762613.db2.gz SNBMLRNHKCAOFB-UHFFFAOYSA-N 2 1 341.540 3.531 20 0 EHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000588178064 1035805623 /nfs/dbraw/zinc/80/56/23/1035805623.db2.gz HQMFDJPVFCTGRZ-CAPFRKAQSA-N 2 1 349.522 3.627 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000414169693 1035867308 /nfs/dbraw/zinc/86/73/08/1035867308.db2.gz BKISMMBVPZIFOK-KBPBESRZSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCCC1 ZINC000540988886 1035885244 /nfs/dbraw/zinc/88/52/44/1035885244.db2.gz KEENERYBXPYWRH-LEWJYISDSA-N 2 1 330.516 3.702 20 0 EHADMP Cc1cccc(OCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492518070 1035910607 /nfs/dbraw/zinc/91/06/07/1035910607.db2.gz ZWPFJBOTFRZYEU-TZIWHRDSSA-N 2 1 338.495 3.874 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000414188644 1035957310 /nfs/dbraw/zinc/95/73/10/1035957310.db2.gz QMYCAJLJVVRWRJ-WCQYABFASA-N 2 1 343.334 3.819 20 0 EHADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000414187092 1035967144 /nfs/dbraw/zinc/96/71/44/1035967144.db2.gz PPPJBDYFMFRCDF-KDOFPFPSSA-N 2 1 331.460 3.552 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000414187751 1035969834 /nfs/dbraw/zinc/96/98/34/1035969834.db2.gz PWSPDFUOGAHFJN-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689502 1035973843 /nfs/dbraw/zinc/97/38/43/1035973843.db2.gz ZZNROLBBKJHGQZ-SFTDATJTSA-N 2 1 344.474 3.605 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689502 1035973855 /nfs/dbraw/zinc/97/38/55/1035973855.db2.gz ZZNROLBBKJHGQZ-SFTDATJTSA-N 2 1 344.474 3.605 20 0 EHADMP Cc1cccc(N2CCC([NH2+]CCSCc3ccccc3)CC2)[nH+]1 ZINC000191097962 1036339038 /nfs/dbraw/zinc/33/90/38/1036339038.db2.gz ICXHXDDZMLHMGH-UHFFFAOYSA-N 2 1 341.524 3.882 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@H](C)O1 ZINC000414262956 1036345386 /nfs/dbraw/zinc/34/53/86/1036345386.db2.gz PAQQPIWAXZXGLX-SZRRNJMZSA-N 2 1 342.527 3.690 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526978 1036402115 /nfs/dbraw/zinc/40/21/15/1036402115.db2.gz RKVOWYANESTZTL-ZFWWWQNUSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526978 1036402124 /nfs/dbraw/zinc/40/21/24/1036402124.db2.gz RKVOWYANESTZTL-ZFWWWQNUSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526978 1036402132 /nfs/dbraw/zinc/40/21/32/1036402132.db2.gz RKVOWYANESTZTL-ZFWWWQNUSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526978 1036402139 /nfs/dbraw/zinc/40/21/39/1036402139.db2.gz RKVOWYANESTZTL-ZFWWWQNUSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526978 1036402149 /nfs/dbraw/zinc/40/21/49/1036402149.db2.gz RKVOWYANESTZTL-ZFWWWQNUSA-N 2 1 344.833 3.858 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)s2)cs1 ZINC000192623104 1036517190 /nfs/dbraw/zinc/51/71/90/1036517190.db2.gz SHPKNMHROBLSNU-GOOCMWNKSA-N 2 1 347.553 3.937 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000398113326 1036520180 /nfs/dbraw/zinc/52/01/80/1036520180.db2.gz OOADNKZCLYMUJR-OJAHFUOMSA-N 2 1 330.516 3.690 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000398113326 1036520196 /nfs/dbraw/zinc/52/01/96/1036520196.db2.gz OOADNKZCLYMUJR-OJAHFUOMSA-N 2 1 330.516 3.690 20 0 EHADMP CC[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746524 1036595957 /nfs/dbraw/zinc/59/59/57/1036595957.db2.gz YOVHLVIYBNYXGT-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746524 1036595970 /nfs/dbraw/zinc/59/59/70/1036595970.db2.gz YOVHLVIYBNYXGT-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746524 1036595990 /nfs/dbraw/zinc/59/59/90/1036595990.db2.gz YOVHLVIYBNYXGT-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CCCC2)o1 ZINC000541732521 1036601452 /nfs/dbraw/zinc/60/14/52/1036601452.db2.gz NJXKCTGJYAOYHG-AZUAARDMSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccn(C)n1 ZINC000541743756 1036613682 /nfs/dbraw/zinc/61/36/82/1036613682.db2.gz NZHOHSIYHAIUHZ-HXUWFJFHSA-N 2 1 340.515 3.893 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643464234 1036760089 /nfs/dbraw/zinc/76/00/89/1036760089.db2.gz MJRLWIDABFJUJR-FZMZJTMJSA-N 2 1 329.271 3.939 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000310269931 1036798866 /nfs/dbraw/zinc/79/88/66/1036798866.db2.gz NCOIEAFSYOUODN-ACRUOGEOSA-N 2 1 330.516 3.693 20 0 EHADMP CSC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541917192 1036841068 /nfs/dbraw/zinc/84/10/68/1036841068.db2.gz FRCOMADNLYUDHJ-INIZCTEOSA-N 2 1 344.446 3.961 20 0 EHADMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCCCC1 ZINC000310902670 1036923682 /nfs/dbraw/zinc/92/36/82/1036923682.db2.gz BEJYEEZMZSQWSS-NJDAHSKKSA-N 2 1 342.527 3.572 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000311039162 1036944917 /nfs/dbraw/zinc/94/49/17/1036944917.db2.gz UXWAIYBQNWICMO-FQEVSTJZSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000311039162 1036944937 /nfs/dbraw/zinc/94/49/37/1036944937.db2.gz UXWAIYBQNWICMO-FQEVSTJZSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000311039162 1036944946 /nfs/dbraw/zinc/94/49/46/1036944946.db2.gz UXWAIYBQNWICMO-FQEVSTJZSA-N 2 1 341.543 3.505 20 0 EHADMP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786513 1037053770 /nfs/dbraw/zinc/05/37/70/1037053770.db2.gz ZQNFPBLTMJNMLN-QGZVFWFLSA-N 2 1 345.531 3.628 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000590787156 1037056372 /nfs/dbraw/zinc/05/63/72/1037056372.db2.gz SVDRLYHXZJHDTC-CQSZACIVSA-N 2 1 348.516 3.911 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000590787156 1037056391 /nfs/dbraw/zinc/05/63/91/1037056391.db2.gz SVDRLYHXZJHDTC-CQSZACIVSA-N 2 1 348.516 3.911 20 0 EHADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542905 1037067868 /nfs/dbraw/zinc/06/78/68/1037067868.db2.gz DQIAXQJZTWAIAF-CHWSQXEVSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542907 1037068183 /nfs/dbraw/zinc/06/81/83/1037068183.db2.gz DQIAXQJZTWAIAF-QWHCGFSZSA-N 2 1 343.334 3.722 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2s1 ZINC000647542787 1037068659 /nfs/dbraw/zinc/06/86/59/1037068659.db2.gz BTCAJYVWANZQOL-IRXDYDNUSA-N 2 1 329.513 3.816 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532446141 1037305657 /nfs/dbraw/zinc/30/56/57/1037305657.db2.gz WPXMQZAPIPMDQQ-IRXDYDNUSA-N 2 1 343.515 3.877 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000532448039 1037309402 /nfs/dbraw/zinc/30/94/02/1037309402.db2.gz NNNMIOOQAQEGFA-LLGFUMIMSA-N 2 1 342.483 3.815 20 0 EHADMP Fc1ccc(C[NH+]2CCC(Nc3cc[nH+]c4ccsc43)CC2)cc1 ZINC000462778403 1037380684 /nfs/dbraw/zinc/38/06/84/1037380684.db2.gz OIMJQUDRMVKRRA-UHFFFAOYSA-N 2 1 341.455 3.934 20 0 EHADMP C[NH+](C)CC1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000462790616 1037400092 /nfs/dbraw/zinc/40/00/92/1037400092.db2.gz PGCHXFFBUOCJAN-UHFFFAOYSA-N 2 1 348.288 3.775 20 0 EHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000164631947 1037534815 /nfs/dbraw/zinc/53/48/15/1037534815.db2.gz XSXWBJQZXHAODI-QGZVFWFLSA-N 2 1 331.460 3.730 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000532538236 1037566438 /nfs/dbraw/zinc/56/64/38/1037566438.db2.gz FDNWPBFRGYTOTM-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000532538236 1037566445 /nfs/dbraw/zinc/56/64/45/1037566445.db2.gz FDNWPBFRGYTOTM-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000532538236 1037566453 /nfs/dbraw/zinc/56/64/53/1037566453.db2.gz FDNWPBFRGYTOTM-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030646 1037686968 /nfs/dbraw/zinc/68/69/68/1037686968.db2.gz UDMMLZMWJDPVJT-PKOBYXMFSA-N 2 1 348.531 3.607 20 0 EHADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000493892572 1037713281 /nfs/dbraw/zinc/71/32/81/1037713281.db2.gz XESSDQZWSJAPMB-GHTZIAJQSA-N 2 1 326.484 3.874 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133232 1037794263 /nfs/dbraw/zinc/79/42/63/1037794263.db2.gz RPQGEFLRBMYXEU-MJGOQNOKSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133232 1037794283 /nfs/dbraw/zinc/79/42/83/1037794283.db2.gz RPQGEFLRBMYXEU-MJGOQNOKSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000897469594 1038109822 /nfs/dbraw/zinc/10/98/22/1038109822.db2.gz NAQODCRHMFKRJO-FCLXEUQJSA-N 2 1 337.305 3.767 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168258023 1038335285 /nfs/dbraw/zinc/33/52/85/1038335285.db2.gz WOUFVHMBTLUWGB-ACRUOGEOSA-N 2 1 342.527 3.925 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000378301241 1038423613 /nfs/dbraw/zinc/42/36/13/1038423613.db2.gz HWUCKOHBAPJQIK-UHFFFAOYSA-N 2 1 341.524 3.940 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000378301241 1038423620 /nfs/dbraw/zinc/42/36/20/1038423620.db2.gz HWUCKOHBAPJQIK-UHFFFAOYSA-N 2 1 341.524 3.940 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000538730802 1038497721 /nfs/dbraw/zinc/49/77/21/1038497721.db2.gz QQVTXDLJFBNGAJ-OAQYLSRUSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000538730802 1038497723 /nfs/dbraw/zinc/49/77/23/1038497723.db2.gz QQVTXDLJFBNGAJ-OAQYLSRUSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000538730802 1038497725 /nfs/dbraw/zinc/49/77/25/1038497725.db2.gz QQVTXDLJFBNGAJ-OAQYLSRUSA-N 2 1 338.495 3.958 20 0 EHADMP CC(C)CCn1cccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000538797995 1038536784 /nfs/dbraw/zinc/53/67/84/1038536784.db2.gz IHHWBZHRQHQHSR-GHTZIAJQSA-N 2 1 329.532 3.983 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659976913 1038579398 /nfs/dbraw/zinc/57/93/98/1038579398.db2.gz HGWKGDDCZDDRAF-MRXNPFEDSA-N 2 1 329.513 3.503 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659976913 1038579404 /nfs/dbraw/zinc/57/94/04/1038579404.db2.gz HGWKGDDCZDDRAF-MRXNPFEDSA-N 2 1 329.513 3.503 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000659976913 1038579408 /nfs/dbraw/zinc/57/94/08/1038579408.db2.gz HGWKGDDCZDDRAF-MRXNPFEDSA-N 2 1 329.513 3.503 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000659976913 1038579414 /nfs/dbraw/zinc/57/94/14/1038579414.db2.gz HGWKGDDCZDDRAF-MRXNPFEDSA-N 2 1 329.513 3.503 20 0 EHADMP COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000363822917 1038615599 /nfs/dbraw/zinc/61/55/99/1038615599.db2.gz MXGPVQUHSNMHMX-ZIBCJSCZSA-N 2 1 330.516 3.692 20 0 EHADMP COC[C@H](CC(C)C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539039479 1038648264 /nfs/dbraw/zinc/64/82/64/1038648264.db2.gz CHLYDAQMCFTYLJ-TYPHKJRUSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000539042433 1038650911 /nfs/dbraw/zinc/65/09/11/1038650911.db2.gz HMACHRFEVPBKAU-IIBYNOLFSA-N 2 1 342.458 3.835 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C[C@H](C)O1 ZINC000539218930 1038735891 /nfs/dbraw/zinc/73/58/91/1038735891.db2.gz WFILPXXLXFIZNH-YRNRMSPPSA-N 2 1 334.479 3.756 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)C1 ZINC000124153871 1038819421 /nfs/dbraw/zinc/81/94/21/1038819421.db2.gz QNNGRDSRUGEFTA-GOEBONIOSA-N 2 1 326.431 3.541 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000479917253 1038894217 /nfs/dbraw/zinc/89/42/17/1038894217.db2.gz ZNUPWNCJEMVYCH-SJORKVTESA-N 2 1 334.504 3.927 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363919828 1038941005 /nfs/dbraw/zinc/94/10/05/1038941005.db2.gz HKJJJIOWMWCQGH-SQNIBIBYSA-N 2 1 343.515 3.744 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000552249596 1039092939 /nfs/dbraw/zinc/09/29/39/1039092939.db2.gz DTWDQZPLFBFVHU-UFYCRDLUSA-N 2 1 343.515 3.756 20 0 EHADMP CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552251353 1039131265 /nfs/dbraw/zinc/13/12/65/1039131265.db2.gz SYUVJONSQSXROF-NJDAHSKKSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276938 1039149938 /nfs/dbraw/zinc/14/99/38/1039149938.db2.gz MFDCGCVQPPKQPI-MJGOQNOKSA-N 2 1 332.536 3.989 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276938 1039149946 /nfs/dbraw/zinc/14/99/46/1039149946.db2.gz MFDCGCVQPPKQPI-MJGOQNOKSA-N 2 1 332.536 3.989 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC000488454041 1039185000 /nfs/dbraw/zinc/18/50/00/1039185000.db2.gz XYKNDYLIKJJZNP-XLAORIBOSA-N 2 1 342.593 3.633 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518753 1039190350 /nfs/dbraw/zinc/19/03/50/1039190350.db2.gz LCWWBQRSPPUAPC-LLVBAIKDSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522051 1039198473 /nfs/dbraw/zinc/19/84/73/1039198473.db2.gz JSKGYTGOAVZSIM-CEXWTWQISA-N 2 1 341.524 3.842 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667688266 1039641032 /nfs/dbraw/zinc/64/10/32/1039641032.db2.gz LFTSUJZPAAWFDZ-GOSISDBHSA-N 2 1 344.547 3.770 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000478844233 1039756916 /nfs/dbraw/zinc/75/69/16/1039756916.db2.gz KCZKYBPSCKEFCM-UHFFFAOYSA-N 2 1 326.488 3.580 20 0 EHADMP CC(C)[NH+]1CCC(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152962449 1039825572 /nfs/dbraw/zinc/82/55/72/1039825572.db2.gz JDRTXCWGAZTSSJ-NRFANRHFSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000480671163 1039862101 /nfs/dbraw/zinc/86/21/01/1039862101.db2.gz QZVHXBQSDPRACQ-MXASKKJJSA-N 2 1 326.406 3.685 20 0 EHADMP CC(C)(C)c1ccc(Br)c(NC(=[NH2+])SCC[NH3+])c1 ZINC001167911710 1040002749 /nfs/dbraw/zinc/00/27/49/1040002749.db2.gz FDBDXQPGCZMPMB-UHFFFAOYSA-N 2 1 330.295 3.785 20 0 EHADMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)C1 ZINC000488754676 1040107372 /nfs/dbraw/zinc/10/73/72/1040107372.db2.gz VDDYEKBPPNCWIK-QGZVFWFLSA-N 2 1 335.373 3.786 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)C1 ZINC000488754676 1040107378 /nfs/dbraw/zinc/10/73/78/1040107378.db2.gz VDDYEKBPPNCWIK-QGZVFWFLSA-N 2 1 335.373 3.786 20 0 EHADMP CN(c1ccccc1C[N@H+]1CC(C)(C)[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000555099245 1040156876 /nfs/dbraw/zinc/15/68/76/1040156876.db2.gz MYYSTDKWKUUABK-NRFANRHFSA-N 2 1 341.543 3.837 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1cccc(Br)n1)C[NH+]1CCCCC1 ZINC000924720344 1040181809 /nfs/dbraw/zinc/18/18/09/1040181809.db2.gz HQVBOYVCUQCMOO-ZIAGYGMSSA-N 2 1 340.309 3.617 20 0 EHADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)c1 ZINC000479399030 1040202635 /nfs/dbraw/zinc/20/26/35/1040202635.db2.gz VVBVZPPWSOUWIS-WIYYLYMNSA-N 2 1 332.532 3.866 20 0 EHADMP Cc1cc2[nH]c(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)cc2c(C)c1 ZINC000479455619 1040254965 /nfs/dbraw/zinc/25/49/65/1040254965.db2.gz ODGSIAHCZIENAI-UHFFFAOYSA-N 2 1 343.515 3.764 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2F)s1 ZINC000481038389 1040304381 /nfs/dbraw/zinc/30/43/81/1040304381.db2.gz NJFPPCXMPKZMSO-HUUCEWRRSA-N 2 1 348.487 3.662 20 0 EHADMP C[C@H](c1cccnc1)[NH+](C)CCCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000246340053 1040311895 /nfs/dbraw/zinc/31/18/95/1040311895.db2.gz IZAHMMSXYLRFAD-QZTJIDSGSA-N 2 1 326.488 3.943 20 0 EHADMP CC[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000339244718 1040333273 /nfs/dbraw/zinc/33/32/73/1040333273.db2.gz CJAWLKITLSCWNI-FQEVSTJZSA-N 2 1 339.483 3.597 20 0 EHADMP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)c1cccc(OC)c1 ZINC000667516048 1040383085 /nfs/dbraw/zinc/38/30/85/1040383085.db2.gz SQFZJFRRDBHIFM-INIZCTEOSA-N 2 1 336.439 3.859 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512654648 1040414852 /nfs/dbraw/zinc/41/48/52/1040414852.db2.gz NSIIJZFRCSDUSA-YPAWHYETSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512654648 1040414864 /nfs/dbraw/zinc/41/48/64/1040414864.db2.gz NSIIJZFRCSDUSA-YPAWHYETSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654648 1040414879 /nfs/dbraw/zinc/41/48/79/1040414879.db2.gz NSIIJZFRCSDUSA-YPAWHYETSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512654648 1040414901 /nfs/dbraw/zinc/41/49/01/1040414901.db2.gz NSIIJZFRCSDUSA-YPAWHYETSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512654648 1040414912 /nfs/dbraw/zinc/41/49/12/1040414912.db2.gz NSIIJZFRCSDUSA-YPAWHYETSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512654648 1040414917 /nfs/dbraw/zinc/41/49/17/1040414917.db2.gz NSIIJZFRCSDUSA-YPAWHYETSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654648 1040414927 /nfs/dbraw/zinc/41/49/27/1040414927.db2.gz NSIIJZFRCSDUSA-YPAWHYETSA-N 3 1 343.559 3.607 20 0 EHADMP Clc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000479673418 1040499049 /nfs/dbraw/zinc/49/90/49/1040499049.db2.gz FFYJJZMINYDCTE-QGZVFWFLSA-N 2 1 343.298 3.756 20 0 EHADMP Clc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000479673418 1040499067 /nfs/dbraw/zinc/49/90/67/1040499067.db2.gz FFYJJZMINYDCTE-QGZVFWFLSA-N 2 1 343.298 3.756 20 0 EHADMP CC(C)c1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000479764028 1040600030 /nfs/dbraw/zinc/60/00/30/1040600030.db2.gz RDKPBOHLFLMQTI-CALCHBBNSA-N 2 1 327.497 3.585 20 0 EHADMP CC(C)c1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000479764028 1040600041 /nfs/dbraw/zinc/60/00/41/1040600041.db2.gz RDKPBOHLFLMQTI-CALCHBBNSA-N 2 1 327.497 3.585 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1OC(F)F ZINC000481311302 1040658949 /nfs/dbraw/zinc/65/89/49/1040658949.db2.gz UVSHLGBRNYQJIQ-QWHCGFSZSA-N 2 1 330.394 3.810 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000481404808 1040850341 /nfs/dbraw/zinc/85/03/41/1040850341.db2.gz OEUABJBYLGHVQJ-KNQAVFIVSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000481404808 1040850355 /nfs/dbraw/zinc/85/03/55/1040850355.db2.gz OEUABJBYLGHVQJ-KNQAVFIVSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000481404808 1040850368 /nfs/dbraw/zinc/85/03/68/1040850368.db2.gz OEUABJBYLGHVQJ-KNQAVFIVSA-N 2 1 343.559 3.751 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000390528447 1040865747 /nfs/dbraw/zinc/86/57/47/1040865747.db2.gz KLIMXMLQWCMCJS-CLAROIROSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000390528447 1040865758 /nfs/dbraw/zinc/86/57/58/1040865758.db2.gz KLIMXMLQWCMCJS-CLAROIROSA-N 2 1 341.543 3.551 20 0 EHADMP CCC(CC)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612318 1040912656 /nfs/dbraw/zinc/91/26/56/1040912656.db2.gz LDNFQOHNDIKWRV-NRFANRHFSA-N 2 1 344.543 3.941 20 0 EHADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1F ZINC000487312739 1040918738 /nfs/dbraw/zinc/91/87/38/1040918738.db2.gz SKTDXFPXVZJVRU-UHFFFAOYSA-N 2 1 330.447 3.966 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875176 1040950557 /nfs/dbraw/zinc/95/05/57/1040950557.db2.gz WAGHCUQZHPLNLR-JXFKEZNVSA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875176 1040950568 /nfs/dbraw/zinc/95/05/68/1040950568.db2.gz WAGHCUQZHPLNLR-JXFKEZNVSA-N 2 1 348.556 3.755 20 0 EHADMP C[C@@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000491169295 1040951299 /nfs/dbraw/zinc/95/12/99/1040951299.db2.gz VZENLASDWNDUSI-NQIIRXRSSA-N 2 1 330.516 3.646 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000570964189 1041128682 /nfs/dbraw/zinc/12/86/82/1041128682.db2.gz HGKOKNRDKLXCIS-SLFFLAALSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000570964189 1041128688 /nfs/dbraw/zinc/12/86/88/1041128688.db2.gz HGKOKNRDKLXCIS-SLFFLAALSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3occc32)no1 ZINC001212145552 1041176998 /nfs/dbraw/zinc/17/69/98/1041176998.db2.gz WOCRBQQWARXUOJ-HNNXBMFYSA-N 2 1 328.416 3.651 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000433303157 1041245499 /nfs/dbraw/zinc/24/54/99/1041245499.db2.gz ZVHPDCWXQWYNID-IBGZPJMESA-N 2 1 349.950 3.545 20 0 EHADMP CC[N@H+]1CCCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)CC1 ZINC000899877740 1041272746 /nfs/dbraw/zinc/27/27/46/1041272746.db2.gz UUNNROIBCRRJBU-UHFFFAOYSA-N 2 1 339.361 3.665 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000512965057 1041308924 /nfs/dbraw/zinc/30/89/24/1041308924.db2.gz YQNQOSVLGAXUCN-IEBWSBKVSA-N 2 1 346.515 3.751 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000512965057 1041308935 /nfs/dbraw/zinc/30/89/35/1041308935.db2.gz YQNQOSVLGAXUCN-IEBWSBKVSA-N 2 1 346.515 3.751 20 0 EHADMP CC[N@@H+](CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000651910002 1042173795 /nfs/dbraw/zinc/17/37/95/1042173795.db2.gz DDHISSPCATZMNG-UHFFFAOYSA-N 3 1 344.547 3.685 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000651928481 1042202175 /nfs/dbraw/zinc/20/21/75/1042202175.db2.gz IIYNYVKIRNVRIT-WTNAPCKOSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000651928481 1042202177 /nfs/dbraw/zinc/20/21/77/1042202177.db2.gz IIYNYVKIRNVRIT-WTNAPCKOSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651929790 1042203374 /nfs/dbraw/zinc/20/33/74/1042203374.db2.gz YPHKUQNBWRHMMW-HSQYWUDLSA-N 2 1 342.527 3.692 20 0 EHADMP Fc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452791 1042309574 /nfs/dbraw/zinc/30/95/74/1042309574.db2.gz NVYDRTIFEPSYQQ-CWRNSKLLSA-N 2 1 341.268 3.599 20 0 EHADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)c1 ZINC000652347611 1042408055 /nfs/dbraw/zinc/40/80/55/1042408055.db2.gz GKWVIFTUNLFGFR-HAGHYFMRSA-N 2 1 330.516 3.891 20 0 EHADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348573 1042409235 /nfs/dbraw/zinc/40/92/35/1042409235.db2.gz IRQPASUZQXYISI-LLBUTXAOSA-N 2 1 338.442 3.634 20 0 EHADMP CCOC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000248881341 1042529757 /nfs/dbraw/zinc/52/97/57/1042529757.db2.gz KWCQGYYYBXGLHS-PLACYPQZSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245591 1042629522 /nfs/dbraw/zinc/62/95/22/1042629522.db2.gz NPOWVJXLYHSLHJ-VXGBXAGGSA-N 2 1 337.261 3.755 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245591 1042629526 /nfs/dbraw/zinc/62/95/26/1042629526.db2.gz NPOWVJXLYHSLHJ-VXGBXAGGSA-N 2 1 337.261 3.755 20 0 EHADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1Cl ZINC000662250662 1042635002 /nfs/dbraw/zinc/63/50/02/1042635002.db2.gz LHKGKCWCUJQVLJ-CJNGLKHVSA-N 2 1 341.282 3.651 20 0 EHADMP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662291882 1042662516 /nfs/dbraw/zinc/66/25/16/1042662516.db2.gz AJAPCIGAJZOPHE-KRWDZBQOSA-N 2 1 343.446 3.692 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000382280792 1042677989 /nfs/dbraw/zinc/67/79/89/1042677989.db2.gz GVHPPSMQOTUTLG-FQEVSTJZSA-N 2 1 349.478 3.569 20 0 EHADMP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000662315163 1042683212 /nfs/dbraw/zinc/68/32/12/1042683212.db2.gz GPHOICVNPXVVRZ-SJLPKXTDSA-N 2 1 327.472 3.989 20 0 EHADMP C[C@@H](CCSc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326042 1042685040 /nfs/dbraw/zinc/68/50/40/1042685040.db2.gz UWHIHTKZNHKECS-ROUUACIJSA-N 2 1 336.545 3.600 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000162016184 1042699130 /nfs/dbraw/zinc/69/91/30/1042699130.db2.gz PMTNOZIYEYAIKX-UHFFFAOYSA-N 2 1 326.488 3.857 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4c3cccc4C)CC2)nc(C)[nH+]1 ZINC000162233672 1042716751 /nfs/dbraw/zinc/71/67/51/1042716751.db2.gz SQEUCGDMLBPZSO-FQEVSTJZSA-N 2 1 336.483 3.648 20 0 EHADMP Clc1cnc2oc(CNC[C@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663343996 1042727047 /nfs/dbraw/zinc/72/70/47/1042727047.db2.gz LSGHDKLCWAZWJX-CQSZACIVSA-N 2 1 333.863 3.693 20 0 EHADMP Clc1cnc2oc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc2c1 ZINC000663343996 1042727052 /nfs/dbraw/zinc/72/70/52/1042727052.db2.gz LSGHDKLCWAZWJX-CQSZACIVSA-N 2 1 333.863 3.693 20 0 EHADMP Clc1cnc2oc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663343996 1042727056 /nfs/dbraw/zinc/72/70/56/1042727056.db2.gz LSGHDKLCWAZWJX-CQSZACIVSA-N 2 1 333.863 3.693 20 0 EHADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000188673674 1042751598 /nfs/dbraw/zinc/75/15/98/1042751598.db2.gz AVXUMKNTSQEYSB-OAQYLSRUSA-N 2 1 330.516 3.572 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000343925898 1042847462 /nfs/dbraw/zinc/84/74/62/1042847462.db2.gz ISENQMNXLDZQAA-IRXDYDNUSA-N 2 1 328.504 3.952 20 0 EHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000925779016 1042910899 /nfs/dbraw/zinc/91/08/99/1042910899.db2.gz LHEKBDBBBXVWGT-MFKMUULPSA-N 2 1 332.847 3.711 20 0 EHADMP CCCc1noc([C@@H]2CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167836575 1043042983 /nfs/dbraw/zinc/04/29/83/1043042983.db2.gz FJKAOKHXGMMHHT-DLBZAZTESA-N 2 1 336.524 3.712 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCCO1 ZINC000432418654 1043144363 /nfs/dbraw/zinc/14/43/63/1043144363.db2.gz UGPLFOPMXOKCQA-HLAWJBBLSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCCO1 ZINC000432418654 1043144369 /nfs/dbraw/zinc/14/43/69/1043144369.db2.gz UGPLFOPMXOKCQA-HLAWJBBLSA-N 2 1 330.516 3.587 20 0 EHADMP COc1cccc(OC)c1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000512087028 1043172525 /nfs/dbraw/zinc/17/25/25/1043172525.db2.gz HLHKFNPRODHJKB-CALCHBBNSA-N 2 1 334.504 3.552 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426779 1043177151 /nfs/dbraw/zinc/17/71/51/1043177151.db2.gz UYSKTUPOKXDHMM-LSDHHAIUSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426779 1043177156 /nfs/dbraw/zinc/17/71/56/1043177156.db2.gz UYSKTUPOKXDHMM-LSDHHAIUSA-N 2 1 344.421 3.857 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279024656 1043214057 /nfs/dbraw/zinc/21/40/57/1043214057.db2.gz VGBZVEYDNNACFN-NVXWUHKLSA-N 2 1 327.497 3.889 20 0 EHADMP COc1cccc(NC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000163259426 1043921995 /nfs/dbraw/zinc/92/19/95/1043921995.db2.gz SLBDTNLVNYIHIZ-UHFFFAOYSA-N 2 1 342.487 3.557 20 0 EHADMP Cc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846828 1043936960 /nfs/dbraw/zinc/93/69/60/1043936960.db2.gz GSHSIVZMBWZUSJ-NWDGAFQWSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846828 1043936964 /nfs/dbraw/zinc/93/69/64/1043936964.db2.gz GSHSIVZMBWZUSJ-NWDGAFQWSA-N 2 1 329.307 3.535 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1C ZINC000344574251 1044135499 /nfs/dbraw/zinc/13/54/99/1044135499.db2.gz CGXDLPDGIDTHDF-NUJGCVRESA-N 2 1 331.504 3.544 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ccccc1OC(F)(F)F ZINC000320236963 1044438842 /nfs/dbraw/zinc/43/88/42/1044438842.db2.gz XZXXTOYIAROQLS-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000320236963 1044438850 /nfs/dbraw/zinc/43/88/50/1044438850.db2.gz XZXXTOYIAROQLS-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000320236963 1044438858 /nfs/dbraw/zinc/43/88/58/1044438858.db2.gz XZXXTOYIAROQLS-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512272128 1044492068 /nfs/dbraw/zinc/49/20/68/1044492068.db2.gz XHOVJRDJHVUNJO-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512272128 1044492074 /nfs/dbraw/zinc/49/20/74/1044492074.db2.gz XHOVJRDJHVUNJO-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512272128 1044492078 /nfs/dbraw/zinc/49/20/78/1044492078.db2.gz XHOVJRDJHVUNJO-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512272128 1044492084 /nfs/dbraw/zinc/49/20/84/1044492084.db2.gz XHOVJRDJHVUNJO-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000153603748 1125636075 /nfs/dbraw/zinc/63/60/75/1125636075.db2.gz OUVDHPLBHVVYSW-KFKAGJAMSA-N 2 1 337.939 3.653 20 0 EHADMP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(Cl)s1 ZINC000154535661 1125726890 /nfs/dbraw/zinc/72/68/90/1125726890.db2.gz XWAVDOKLVPBIRY-HNNXBMFYSA-N 2 1 343.968 3.860 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000172265262 1126787369 /nfs/dbraw/zinc/78/73/69/1126787369.db2.gz RPYZWPNLUQIKDR-UHFFFAOYSA-N 2 1 328.504 3.517 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338018949 1126830183 /nfs/dbraw/zinc/83/01/83/1126830183.db2.gz NLYPJDWBTCZNIR-UZLBHIALSA-N 2 1 340.515 3.680 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338018949 1126830185 /nfs/dbraw/zinc/83/01/85/1126830185.db2.gz NLYPJDWBTCZNIR-UZLBHIALSA-N 2 1 340.515 3.680 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732762 1126877882 /nfs/dbraw/zinc/87/78/82/1126877882.db2.gz OZWBNRMTVYGIFB-ZBFHGGJFSA-N 2 1 344.421 3.790 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732762 1126877886 /nfs/dbraw/zinc/87/78/86/1126877886.db2.gz OZWBNRMTVYGIFB-ZBFHGGJFSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732762 1126877891 /nfs/dbraw/zinc/87/78/91/1126877891.db2.gz OZWBNRMTVYGIFB-ZBFHGGJFSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732762 1126877895 /nfs/dbraw/zinc/87/78/95/1126877895.db2.gz OZWBNRMTVYGIFB-ZBFHGGJFSA-N 2 1 344.421 3.790 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337540 1126918819 /nfs/dbraw/zinc/91/88/19/1126918819.db2.gz OIBOSPMYCSUSAM-ZWKOTPCHSA-N 2 1 349.588 3.984 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC1(C)C ZINC000623374723 1126938652 /nfs/dbraw/zinc/93/86/52/1126938652.db2.gz NHBDWRLPCZSMKU-GFCCVEGCSA-N 2 1 331.287 3.835 20 0 EHADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000623385479 1126939606 /nfs/dbraw/zinc/93/96/06/1126939606.db2.gz NBGOWKPKDVUQQH-PMACEKPBSA-N 2 1 329.532 3.594 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)N[C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623470168 1126962445 /nfs/dbraw/zinc/96/24/45/1126962445.db2.gz BPKVPASTRMNZSM-ICSRJNTNSA-N 2 1 340.515 3.704 20 0 EHADMP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n(-c2ccccc2)n1 ZINC000623469016 1126962493 /nfs/dbraw/zinc/96/24/93/1126962493.db2.gz NEMWSTQUROTZEJ-AEFFLSMTSA-N 2 1 340.515 3.574 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC(C)C ZINC000623495321 1126967854 /nfs/dbraw/zinc/96/78/54/1126967854.db2.gz ZDWHERZRCDTGLI-APWZRJJASA-N 2 1 334.504 3.624 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC(C)C ZINC000623495321 1126967857 /nfs/dbraw/zinc/96/78/57/1126967857.db2.gz ZDWHERZRCDTGLI-APWZRJJASA-N 2 1 334.504 3.624 20 0 EHADMP C[NH+]1CCC([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000177234866 1126979646 /nfs/dbraw/zinc/97/96/46/1126979646.db2.gz ZDPIZTYTFVAXHR-ZUTUBDCJSA-N 2 1 332.491 3.968 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623799000 1127181140 /nfs/dbraw/zinc/18/11/40/1127181140.db2.gz LRHUURAIHKKYTK-HZPDHXFCSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623799000 1127181141 /nfs/dbraw/zinc/18/11/41/1127181141.db2.gz LRHUURAIHKKYTK-HZPDHXFCSA-N 2 1 345.314 3.879 20 0 EHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000623886035 1127210797 /nfs/dbraw/zinc/21/07/97/1127210797.db2.gz PEMXMSUZVMCYOQ-KRWDZBQOSA-N 2 1 345.512 3.641 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623923403 1127217360 /nfs/dbraw/zinc/21/73/60/1127217360.db2.gz ADDNBVFMBRPJCI-FMWKFLBASA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121378 1127256814 /nfs/dbraw/zinc/25/68/14/1127256814.db2.gz UXGZBUFBLBRTHV-IRXDYDNUSA-N 2 1 346.519 3.599 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000624123165 1127257010 /nfs/dbraw/zinc/25/70/10/1127257010.db2.gz GZTIEKPIRNDGES-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624222809 1127319913 /nfs/dbraw/zinc/31/99/13/1127319913.db2.gz FZMYWPZHUYOCGE-MAHYXTOZSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@H](C)O1 ZINC000369214305 1127421205 /nfs/dbraw/zinc/42/12/05/1127421205.db2.gz KMYWPVOGDYJHHM-PIKOESSRSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@H](C)O1 ZINC000369214305 1127421209 /nfs/dbraw/zinc/42/12/09/1127421209.db2.gz KMYWPVOGDYJHHM-PIKOESSRSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673775 1127429390 /nfs/dbraw/zinc/42/93/90/1127429390.db2.gz UYKGCXPGBRRMTR-SJORKVTESA-N 2 1 338.536 3.741 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000083474028 1127441418 /nfs/dbraw/zinc/44/14/18/1127441418.db2.gz JNTJANLQWAGCKF-QAPCUYQASA-N 2 1 329.875 3.735 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000083474028 1127441420 /nfs/dbraw/zinc/44/14/20/1127441420.db2.gz JNTJANLQWAGCKF-QAPCUYQASA-N 2 1 329.875 3.735 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnn(-c2ccccc2)c1 ZINC000325344186 1127471126 /nfs/dbraw/zinc/47/11/26/1127471126.db2.gz DCWGHBJQXXDNLJ-GOSISDBHSA-N 2 1 326.488 3.645 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321392 1127537292 /nfs/dbraw/zinc/53/72/92/1127537292.db2.gz BCMWAPAPKVUABM-MJGOQNOKSA-N 2 1 327.447 3.784 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321392 1127537295 /nfs/dbraw/zinc/53/72/95/1127537295.db2.gz BCMWAPAPKVUABM-MJGOQNOKSA-N 2 1 327.447 3.784 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1 ZINC000765257201 1127590480 /nfs/dbraw/zinc/59/04/80/1127590480.db2.gz XTFDKHOEYVPAMV-DLBZAZTESA-N 2 1 326.488 3.706 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000765417403 1127609111 /nfs/dbraw/zinc/60/91/11/1127609111.db2.gz UIVSOVFRUFVSLH-SIKLNZKXSA-N 2 1 349.522 3.692 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000765417403 1127609113 /nfs/dbraw/zinc/60/91/13/1127609113.db2.gz UIVSOVFRUFVSLH-SIKLNZKXSA-N 2 1 349.522 3.692 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(C)ccc32)[C@@H](C)C1 ZINC000765428691 1127611979 /nfs/dbraw/zinc/61/19/79/1127611979.db2.gz UJVLCKWTASMVAR-YYWHXJBOSA-N 2 1 330.516 3.709 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000347565911 1128096435 /nfs/dbraw/zinc/09/64/35/1128096435.db2.gz WNPZNUKKVIYZKC-MRXNPFEDSA-N 2 1 349.478 3.917 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739849 1128177405 /nfs/dbraw/zinc/17/74/05/1128177405.db2.gz OCZKMIMGEGBYDU-CQSZACIVSA-N 2 1 331.460 3.839 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739849 1128177406 /nfs/dbraw/zinc/17/74/06/1128177406.db2.gz OCZKMIMGEGBYDU-CQSZACIVSA-N 2 1 331.460 3.839 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCC(C)C ZINC000067507229 1128242570 /nfs/dbraw/zinc/24/25/70/1128242570.db2.gz IRZJWJCEBXLTGL-GOSISDBHSA-N 2 1 334.504 3.550 20 0 EHADMP COc1ccc([C@H](CCC(C)C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765793553 1128370057 /nfs/dbraw/zinc/37/00/57/1128370057.db2.gz ZZWQACXQCPQSML-NRSPTQNISA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765793553 1128370061 /nfs/dbraw/zinc/37/00/61/1128370061.db2.gz ZZWQACXQCPQSML-NRSPTQNISA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765793553 1128370065 /nfs/dbraw/zinc/37/00/65/1128370065.db2.gz ZZWQACXQCPQSML-NRSPTQNISA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765793554 1128370228 /nfs/dbraw/zinc/37/02/28/1128370228.db2.gz ZZWQACXQCPQSML-TYPHKJRUSA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765793554 1128370233 /nfs/dbraw/zinc/37/02/33/1128370233.db2.gz ZZWQACXQCPQSML-TYPHKJRUSA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765793554 1128370238 /nfs/dbraw/zinc/37/02/38/1128370238.db2.gz ZZWQACXQCPQSML-TYPHKJRUSA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765793550 1128370375 /nfs/dbraw/zinc/37/03/75/1128370375.db2.gz ZZWQACXQCPQSML-GIVPXCGWSA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765793550 1128370380 /nfs/dbraw/zinc/37/03/80/1128370380.db2.gz ZZWQACXQCPQSML-GIVPXCGWSA-N 2 1 346.515 3.625 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765793550 1128370384 /nfs/dbraw/zinc/37/03/84/1128370384.db2.gz ZZWQACXQCPQSML-GIVPXCGWSA-N 2 1 346.515 3.625 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1Cl ZINC000843108563 1128457258 /nfs/dbraw/zinc/45/72/58/1128457258.db2.gz PLFUXTRIJIKWEE-MOPGFXCFSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1Cl ZINC000843108563 1128457262 /nfs/dbraw/zinc/45/72/62/1128457262.db2.gz PLFUXTRIJIKWEE-MOPGFXCFSA-N 2 1 343.902 3.907 20 0 EHADMP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001648826518 1120050034 /nfs/dbraw/zinc/05/00/34/1120050034.db2.gz JAUJQGYMCAEDGJ-SFTDATJTSA-N 2 1 330.516 3.897 20 0 EHADMP CCCc1csc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000494357413 1120537722 /nfs/dbraw/zinc/53/77/22/1120537722.db2.gz PFBKVOMXRMNCSN-UHFFFAOYSA-N 2 1 329.513 3.981 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000494556473 1120594006 /nfs/dbraw/zinc/59/40/06/1120594006.db2.gz FCQZPEPYLRGEIB-JXFKEZNVSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494556473 1120594008 /nfs/dbraw/zinc/59/40/08/1120594008.db2.gz FCQZPEPYLRGEIB-JXFKEZNVSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494556473 1120594010 /nfs/dbraw/zinc/59/40/10/1120594010.db2.gz FCQZPEPYLRGEIB-JXFKEZNVSA-N 2 1 341.499 3.626 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640759 1120711417 /nfs/dbraw/zinc/71/14/17/1120711417.db2.gz BZZNZEFAYJEMOU-LPHOPBHVSA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640759 1120711419 /nfs/dbraw/zinc/71/14/19/1120711419.db2.gz BZZNZEFAYJEMOU-LPHOPBHVSA-N 2 1 338.923 3.985 20 0 EHADMP CC(C)c1cccc2c1CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000192844839 1120750772 /nfs/dbraw/zinc/75/07/72/1120750772.db2.gz DIUXGPSUXIUWPI-UHFFFAOYSA-N 2 1 343.559 3.584 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736369 1120752998 /nfs/dbraw/zinc/75/29/98/1120752998.db2.gz CMIFCOXGOIQYED-UHOSZYNNSA-N 2 1 328.500 3.623 20 0 EHADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000542519769 1120888396 /nfs/dbraw/zinc/88/83/96/1120888396.db2.gz LKSCKKRPEDXDKX-FCHUYYIVSA-N 2 1 344.543 3.568 20 0 EHADMP CC[N@@H+](C/C=C/c1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494980049 1120922130 /nfs/dbraw/zinc/92/21/30/1120922130.db2.gz ZRUBGWINLQNBOW-MECCDNJOSA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C/c1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494980049 1120922134 /nfs/dbraw/zinc/92/21/34/1120922134.db2.gz ZRUBGWINLQNBOW-MECCDNJOSA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C/c1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494980049 1120922138 /nfs/dbraw/zinc/92/21/38/1120922138.db2.gz ZRUBGWINLQNBOW-MECCDNJOSA-N 2 1 335.495 3.939 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000495061226 1120940643 /nfs/dbraw/zinc/94/06/43/1120940643.db2.gz SHWBHSOUIFUIGD-WMZOPIPTSA-N 2 1 345.531 3.543 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000495148580 1120970917 /nfs/dbraw/zinc/97/09/17/1120970917.db2.gz OFHVNKORAFFORA-GHTZIAJQSA-N 2 1 336.479 3.888 20 0 EHADMP C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369780 1121142271 /nfs/dbraw/zinc/14/22/71/1121142271.db2.gz WNQPLYJIDLWNGG-FVPXHTFXSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000237571854 1121488777 /nfs/dbraw/zinc/48/87/77/1121488777.db2.gz HHXVHUMQHLFEAE-QGZVFWFLSA-N 2 1 340.515 3.701 20 0 EHADMP C[C@H]([NH2+]Cc1nccc2c1CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921981912 1128996466 /nfs/dbraw/zinc/99/64/66/1128996466.db2.gz YSOGAZZQCXDXIH-FUHWJXTLSA-N 2 1 327.516 3.703 20 0 EHADMP C[C@H]([NH2+]Cc1nccc2c1CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921981912 1128996469 /nfs/dbraw/zinc/99/64/69/1128996469.db2.gz YSOGAZZQCXDXIH-FUHWJXTLSA-N 2 1 327.516 3.703 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000398000676 1121958248 /nfs/dbraw/zinc/95/82/48/1121958248.db2.gz VVHIGDHSNFTVHZ-QUCCMNQESA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000398010458 1121959766 /nfs/dbraw/zinc/95/97/66/1121959766.db2.gz COUZMVFWVVDMTA-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](C3CC3)CC1)CCCC2 ZINC000126484643 1122408173 /nfs/dbraw/zinc/40/81/73/1122408173.db2.gz XIECOBWNPIZMSI-OAQYLSRUSA-N 2 1 340.511 3.996 20 0 EHADMP CC(C)c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000497500338 1122567293 /nfs/dbraw/zinc/56/72/93/1122567293.db2.gz NXZINWQISPGYKF-CBQGHPETSA-N 2 1 341.543 3.553 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3nccc4c3CCCC4)C2)cc1 ZINC000922077862 1129079840 /nfs/dbraw/zinc/07/98/40/1129079840.db2.gz VSRDDNCZHCPZMW-LJQANCHMSA-N 2 1 335.495 3.572 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3nccc4c3CCCC4)C2)cc1 ZINC000922077862 1129079844 /nfs/dbraw/zinc/07/98/44/1129079844.db2.gz VSRDDNCZHCPZMW-LJQANCHMSA-N 2 1 335.495 3.572 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)cc1Br ZINC001236212865 1123090798 /nfs/dbraw/zinc/09/07/98/1123090798.db2.gz AEHXOVNCYSQHLG-JKSUJKDBSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)cc1Br ZINC001236212865 1123090803 /nfs/dbraw/zinc/09/08/03/1123090803.db2.gz AEHXOVNCYSQHLG-JKSUJKDBSA-N 2 1 325.294 3.768 20 0 EHADMP CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556870127 1123160609 /nfs/dbraw/zinc/16/06/09/1123160609.db2.gz DAPNDGQFYSILFQ-FVTFTPSCSA-N 2 1 344.543 3.675 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000556892373 1123176888 /nfs/dbraw/zinc/17/68/88/1123176888.db2.gz KOFMCYRBOMAYJO-ZJOUEHCJSA-N 2 1 327.516 3.639 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134935153 1123567178 /nfs/dbraw/zinc/56/71/78/1123567178.db2.gz WTGJYWIXLUIMGK-CRAIPNDOSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134935153 1123567185 /nfs/dbraw/zinc/56/71/85/1123567185.db2.gz WTGJYWIXLUIMGK-CRAIPNDOSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134935153 1123567190 /nfs/dbraw/zinc/56/71/90/1123567190.db2.gz WTGJYWIXLUIMGK-CRAIPNDOSA-N 2 1 336.426 3.737 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000245420178 1123821856 /nfs/dbraw/zinc/82/18/56/1123821856.db2.gz BYHMTHWKXXONMU-DLBZAZTESA-N 2 1 334.504 3.867 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000245714911 1123934985 /nfs/dbraw/zinc/93/49/85/1123934985.db2.gz GRULHWBJJXKYAL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000245714911 1123934989 /nfs/dbraw/zinc/93/49/89/1123934989.db2.gz GRULHWBJJXKYAL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000245714911 1123934992 /nfs/dbraw/zinc/93/49/92/1123934992.db2.gz GRULHWBJJXKYAL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Br ZINC000245714911 1123934994 /nfs/dbraw/zinc/93/49/94/1123934994.db2.gz GRULHWBJJXKYAL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP C[N@@H+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCC1 ZINC000245716069 1123935064 /nfs/dbraw/zinc/93/50/64/1123935064.db2.gz OBDAAODLTMHSLI-MMVMTREESA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000245716069 1123935065 /nfs/dbraw/zinc/93/50/65/1123935065.db2.gz OBDAAODLTMHSLI-MMVMTREESA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000245716069 1123935067 /nfs/dbraw/zinc/93/50/67/1123935067.db2.gz OBDAAODLTMHSLI-MMVMTREESA-N 2 1 341.543 3.646 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000246037820 1124004514 /nfs/dbraw/zinc/00/45/14/1124004514.db2.gz AWZTXPYGKKTDHI-XJKSGUPXSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000246037820 1124004517 /nfs/dbraw/zinc/00/45/17/1124004517.db2.gz AWZTXPYGKKTDHI-XJKSGUPXSA-N 2 1 340.895 3.567 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246325263 1124086938 /nfs/dbraw/zinc/08/69/38/1124086938.db2.gz FRTQAYILTMADHP-YOEHRIQHSA-N 2 1 344.421 3.585 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)[C@@H](C)C1 ZINC000246398099 1124450290 /nfs/dbraw/zinc/45/02/90/1124450290.db2.gz LLUGZIYSMCZIMS-MAUKXSAKSA-N 2 1 343.540 3.981 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246875767 1124563011 /nfs/dbraw/zinc/56/30/11/1124563011.db2.gz DSQGPECHGMGOGR-CPUCHLNUSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246875767 1124563017 /nfs/dbraw/zinc/56/30/17/1124563017.db2.gz DSQGPECHGMGOGR-CPUCHLNUSA-N 2 1 339.321 3.843 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)[C@@H](C)C1 ZINC000247053597 1124583455 /nfs/dbraw/zinc/58/34/55/1124583455.db2.gz MHCPXMJNCNQLSN-ZIBCJSCZSA-N 2 1 330.516 3.783 20 0 EHADMP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000247929044 1124630589 /nfs/dbraw/zinc/63/05/89/1124630589.db2.gz BVZPDMHOPOKCCR-FRQCXROJSA-N 2 1 346.515 3.835 20 0 EHADMP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000247929044 1124630593 /nfs/dbraw/zinc/63/05/93/1124630593.db2.gz BVZPDMHOPOKCCR-FRQCXROJSA-N 2 1 346.515 3.835 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248406665 1124657831 /nfs/dbraw/zinc/65/78/31/1124657831.db2.gz SSRQCSLNXUQMHK-CEMLEFRQSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248406665 1124657835 /nfs/dbraw/zinc/65/78/35/1124657835.db2.gz SSRQCSLNXUQMHK-CEMLEFRQSA-N 2 1 335.495 3.780 20 0 EHADMP CC(C)c1nc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000249024656 1124727153 /nfs/dbraw/zinc/72/71/53/1124727153.db2.gz RHMSXELHCDHMDS-OWCLPIDISA-N 2 1 339.549 3.807 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCSc3ccc(OC)cc32)C1 ZINC000249184313 1124745388 /nfs/dbraw/zinc/74/53/88/1124745388.db2.gz JVVYHNSPDZIONZ-YJBOKZPZSA-N 2 1 334.529 3.944 20 0 EHADMP Cc1nccnc1[C@@H](C)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249211955 1124746521 /nfs/dbraw/zinc/74/65/21/1124746521.db2.gz YLHCSQUTCQCHCK-HNAWSFBYSA-N 2 1 338.499 3.592 20 0 EHADMP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000091284465 1124973760 /nfs/dbraw/zinc/97/37/60/1124973760.db2.gz RSPDYIWBVFLYCJ-SCLBCKFNSA-N 2 1 349.316 3.974 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000091288702 1124974429 /nfs/dbraw/zinc/97/44/29/1124974429.db2.gz WGNCBAGPDBRWGG-QHCPKHFHSA-N 2 1 349.522 3.675 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091333612 1124976298 /nfs/dbraw/zinc/97/62/98/1124976298.db2.gz LWUFKVASWIHEKO-OAQYLSRUSA-N 2 1 347.522 3.674 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657304937 1129253462 /nfs/dbraw/zinc/25/34/62/1129253462.db2.gz KLWILUBFELZUDD-UHFFFAOYSA-N 2 1 331.435 3.833 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657304937 1129253465 /nfs/dbraw/zinc/25/34/65/1129253465.db2.gz KLWILUBFELZUDD-UHFFFAOYSA-N 2 1 331.435 3.833 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2c(s1)CCC2 ZINC000765980531 1129421861 /nfs/dbraw/zinc/42/18/61/1129421861.db2.gz ZZWCMUWTVZQICM-YOEHRIQHSA-N 2 1 334.529 3.531 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2c(s1)CCC2 ZINC000765980523 1129422161 /nfs/dbraw/zinc/42/21/61/1129422161.db2.gz ZZWCMUWTVZQICM-RHSMWYFYSA-N 2 1 334.529 3.531 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000358916687 1129427451 /nfs/dbraw/zinc/42/74/51/1129427451.db2.gz SUGSFZVGVDQQTM-VQIMIIECSA-N 2 1 346.515 3.793 20 0 EHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C(C)=C/c3ccccc3)C2)[C@@H]1C(C)C ZINC000922392771 1129517755 /nfs/dbraw/zinc/51/77/55/1129517755.db2.gz NWUDGOHDUHZMHT-TYRLJKDYSA-N 2 1 342.527 3.549 20 0 EHADMP Cc1c(Br)cccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922684377 1129625371 /nfs/dbraw/zinc/62/53/71/1129625371.db2.gz IODQSNWWLHTNEJ-HOTGVXAUSA-N 2 1 337.305 3.516 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282385784 1129678772 /nfs/dbraw/zinc/67/87/72/1129678772.db2.gz ZLHBRHBPEUQDQW-MRXNPFEDSA-N 2 1 346.544 3.893 20 0 EHADMP CCOC1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657965949 1129927930 /nfs/dbraw/zinc/92/79/30/1129927930.db2.gz DOKGOBOYELAALY-FNOBOGDDSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745801 1130469298 /nfs/dbraw/zinc/46/92/98/1130469298.db2.gz GOVIUBNWKNFBQY-FUHIMQAGSA-N 2 1 339.483 3.794 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745801 1130469302 /nfs/dbraw/zinc/46/93/02/1130469302.db2.gz GOVIUBNWKNFBQY-FUHIMQAGSA-N 2 1 339.483 3.794 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000675787077 1130479127 /nfs/dbraw/zinc/47/91/27/1130479127.db2.gz UPXYPZUIIIPMDQ-CTNGQTDRSA-N 2 1 330.516 3.693 20 0 EHADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675881484 1130500145 /nfs/dbraw/zinc/50/01/45/1130500145.db2.gz MDYVUGXFLVCZRT-BHIFYINESA-N 2 1 342.527 3.946 20 0 EHADMP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883182 1130500832 /nfs/dbraw/zinc/50/08/32/1130500832.db2.gz XIICNTFSWPAXEA-KXBFYZLASA-N 2 1 334.891 3.560 20 0 EHADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152094 1130641311 /nfs/dbraw/zinc/64/13/11/1130641311.db2.gz NKGOWEAYHUVTOF-ZIBCJSCZSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172454268 1131748395 /nfs/dbraw/zinc/74/83/95/1131748395.db2.gz JMDAFBOXNQYHHJ-TYPHKJRUSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172454268 1131748401 /nfs/dbraw/zinc/74/84/01/1131748401.db2.gz JMDAFBOXNQYHHJ-TYPHKJRUSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172454268 1131748403 /nfs/dbraw/zinc/74/84/03/1131748403.db2.gz JMDAFBOXNQYHHJ-TYPHKJRUSA-N 2 1 330.516 3.644 20 0 EHADMP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)CCc3c(F)cc(Cl)cc3F)C[C@H]2C1 ZINC001172583298 1131792008 /nfs/dbraw/zinc/79/20/08/1131792008.db2.gz HIXSXNAGNDEARV-BFHYXJOUSA-N 2 1 342.861 3.823 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172747684 1131830822 /nfs/dbraw/zinc/83/08/22/1131830822.db2.gz AQZHZSYGCBJRRC-GGPKGHCWSA-N 2 1 346.515 3.749 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172747684 1131830833 /nfs/dbraw/zinc/83/08/33/1131830833.db2.gz AQZHZSYGCBJRRC-GGPKGHCWSA-N 2 1 346.515 3.749 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001172941593 1131913156 /nfs/dbraw/zinc/91/31/56/1131913156.db2.gz XOVZZHVDLHDSQK-NSHGMRRFSA-N 2 1 346.515 3.914 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001173086063 1131964497 /nfs/dbraw/zinc/96/44/97/1131964497.db2.gz MBXZVKAXHJCXGE-GRTSSRMGSA-N 2 1 330.394 3.718 20 0 EHADMP CCSC[C@@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173296974 1132031056 /nfs/dbraw/zinc/03/10/56/1132031056.db2.gz ZFMJEXBCKOYPES-KBAYOESNSA-N 2 1 336.545 3.909 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206211399 1132119264 /nfs/dbraw/zinc/11/92/64/1132119264.db2.gz OACZXGWDKCEZCX-RTBURBONSA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206211399 1132119274 /nfs/dbraw/zinc/11/92/74/1132119274.db2.gz OACZXGWDKCEZCX-RTBURBONSA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206211399 1132119278 /nfs/dbraw/zinc/11/92/78/1132119278.db2.gz OACZXGWDKCEZCX-RTBURBONSA-N 2 1 346.421 3.763 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702319 1132129479 /nfs/dbraw/zinc/12/94/79/1132129479.db2.gz KYFDHTWSBYHLGD-UWJYYQICSA-N 2 1 338.495 3.650 20 0 EHADMP C[NH+]1CCC(Oc2ccc(Nc3cc[nH+]c4ccccc34)cc2)CC1 ZINC001174039866 1132222643 /nfs/dbraw/zinc/22/26/43/1132222643.db2.gz FSEHDPAGCORBTN-UHFFFAOYSA-N 2 1 333.435 3.873 20 0 EHADMP CC[NH+](CC)CCCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001174749995 1132465655 /nfs/dbraw/zinc/46/56/55/1132465655.db2.gz XJAGSMFEPHOMSR-OAQYLSRUSA-N 2 1 331.548 3.561 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001174816061 1132469621 /nfs/dbraw/zinc/46/96/21/1132469621.db2.gz TVHFIAFXCCXVHM-UHFFFAOYSA-N 2 1 347.466 3.676 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4cnccc43)C2)cc1 ZINC000192931030 1132477938 /nfs/dbraw/zinc/47/79/38/1132477938.db2.gz FBEPBKTYXQVGLF-LJQANCHMSA-N 2 1 331.463 3.847 20 0 EHADMP Cc1cccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203400 1132586045 /nfs/dbraw/zinc/58/60/45/1132586045.db2.gz NAGKDHFSWWXABL-FCHUYYIVSA-N 2 1 340.511 3.775 20 0 EHADMP Cc1cccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203400 1132586048 /nfs/dbraw/zinc/58/60/48/1132586048.db2.gz NAGKDHFSWWXABL-FCHUYYIVSA-N 2 1 340.511 3.775 20 0 EHADMP CC[C@@]1(O)CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001175250246 1132609049 /nfs/dbraw/zinc/60/90/49/1132609049.db2.gz PRYLYUCWSOGQLS-JOCHJYFZSA-N 2 1 344.543 3.568 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094416 1132653651 /nfs/dbraw/zinc/65/36/51/1132653651.db2.gz LKDQPZOIHQNSMG-AXVVYFOYSA-N 2 1 347.934 3.692 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119048 1132663810 /nfs/dbraw/zinc/66/38/10/1132663810.db2.gz PKPCMPPFNSOYBH-DCXXXQMHSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119048 1132663814 /nfs/dbraw/zinc/66/38/14/1132663814.db2.gz PKPCMPPFNSOYBH-DCXXXQMHSA-N 2 1 346.490 3.898 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124124 1132665573 /nfs/dbraw/zinc/66/55/73/1132665573.db2.gz MLVIPKUVNJKCGM-NLWGTHIKSA-N 2 1 334.548 3.968 20 0 EHADMP CCCCCCOC(=O)CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108583 1132669512 /nfs/dbraw/zinc/66/95/12/1132669512.db2.gz BXXSTCNHIPUSDH-REPLKXPHSA-N 2 1 338.536 3.885 20 0 EHADMP CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169106865 1132669803 /nfs/dbraw/zinc/66/98/03/1132669803.db2.gz APJJEZVKGIXKAJ-LTIDMASMSA-N 2 1 326.488 3.880 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)C2 ZINC001169110188 1132671480 /nfs/dbraw/zinc/67/14/80/1132671480.db2.gz LJRRHVYSCGDXMY-LILSUDLASA-N 2 1 335.495 3.643 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001169254481 1132709879 /nfs/dbraw/zinc/70/98/79/1132709879.db2.gz YGUIZGMDNWUZRK-FPOVZHCZSA-N 2 1 328.500 3.509 20 0 EHADMP CC[NH+]1CCC([N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001169254481 1132709883 /nfs/dbraw/zinc/70/98/83/1132709883.db2.gz YGUIZGMDNWUZRK-FPOVZHCZSA-N 2 1 328.500 3.509 20 0 EHADMP Cc1ccc(CNc2[nH+]cccc2N2CC[NH2+]CC2)c2ccccc12 ZINC001169413433 1132756366 /nfs/dbraw/zinc/75/63/66/1132756366.db2.gz HKCRHEXUNAZQMJ-UHFFFAOYSA-N 2 1 332.451 3.565 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206025689 1132904789 /nfs/dbraw/zinc/90/47/89/1132904789.db2.gz PBLJLVYUONUWQA-GXTWGEPZSA-N 2 1 325.294 3.564 20 0 EHADMP CC[NH+](CC)c1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)c(C)c1 ZINC001176560469 1132967370 /nfs/dbraw/zinc/96/73/70/1132967370.db2.gz PONUMWREVLHZQA-UHFFFAOYSA-N 2 1 341.503 3.877 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629169 1132974137 /nfs/dbraw/zinc/97/41/37/1132974137.db2.gz FZPBFLWPTZQDDX-BJJXKVORSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629169 1132974140 /nfs/dbraw/zinc/97/41/40/1132974140.db2.gz FZPBFLWPTZQDDX-BJJXKVORSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176629169 1132974144 /nfs/dbraw/zinc/97/41/44/1132974144.db2.gz FZPBFLWPTZQDDX-BJJXKVORSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176629169 1132974148 /nfs/dbraw/zinc/97/41/48/1132974148.db2.gz FZPBFLWPTZQDDX-BJJXKVORSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001176985103 1133018647 /nfs/dbraw/zinc/01/86/47/1133018647.db2.gz OEDXVXWTZZLEGV-GUDVDZBRSA-N 2 1 346.563 3.795 20 0 EHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC001177104490 1133031270 /nfs/dbraw/zinc/03/12/70/1133031270.db2.gz UHMHMNSMUYUXRQ-QRVBRYPASA-N 2 1 349.588 3.841 20 0 EHADMP CCc1cc(OC)ccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001177245072 1133045121 /nfs/dbraw/zinc/04/51/21/1133045121.db2.gz LPTUKXIRTPXMCF-UHFFFAOYSA-N 2 1 338.495 3.796 20 0 EHADMP CCc1cc(OC)ccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001177245072 1133045131 /nfs/dbraw/zinc/04/51/31/1133045131.db2.gz LPTUKXIRTPXMCF-UHFFFAOYSA-N 2 1 338.495 3.796 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001177295002 1133048264 /nfs/dbraw/zinc/04/82/64/1133048264.db2.gz VTYSCLWSLXFLGH-FUHIMQAGSA-N 2 1 330.516 3.510 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC001178873794 1133206811 /nfs/dbraw/zinc/20/68/11/1133206811.db2.gz ZFRKEUDOLZTMKO-UHFFFAOYSA-N 2 1 330.394 3.592 20 0 EHADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCCC(C)C ZINC001178916650 1133212046 /nfs/dbraw/zinc/21/20/46/1133212046.db2.gz LDZCONTXQIGVLB-GOSISDBHSA-N 2 1 348.531 3.942 20 0 EHADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccccc1-c1ccccc1C ZINC001179065672 1133225808 /nfs/dbraw/zinc/22/58/08/1133225808.db2.gz AKDJSNWEPBZWHE-FQEVSTJZSA-N 2 1 340.511 3.844 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897849 1133293925 /nfs/dbraw/zinc/29/39/25/1133293925.db2.gz ABAJMTDSEOMSFX-WMZOPIPTSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897849 1133293928 /nfs/dbraw/zinc/29/39/28/1133293928.db2.gz ABAJMTDSEOMSFX-WMZOPIPTSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897849 1133293931 /nfs/dbraw/zinc/29/39/31/1133293931.db2.gz ABAJMTDSEOMSFX-WMZOPIPTSA-N 2 1 348.531 3.786 20 0 EHADMP FC(F)COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001179877541 1133297444 /nfs/dbraw/zinc/29/74/44/1133297444.db2.gz HCYPDRPQCALCAB-INIZCTEOSA-N 2 1 338.442 3.638 20 0 EHADMP FC(F)COc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001179877541 1133297448 /nfs/dbraw/zinc/29/74/48/1133297448.db2.gz HCYPDRPQCALCAB-INIZCTEOSA-N 2 1 338.442 3.638 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4c3OCC4)C2)CC1 ZINC001180029864 1133318802 /nfs/dbraw/zinc/31/88/02/1133318802.db2.gz GNJSYTUYGBXXIB-SFHVURJKSA-N 2 1 328.500 3.565 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4c3OCC4)C2)CC1 ZINC001180029864 1133318808 /nfs/dbraw/zinc/31/88/08/1133318808.db2.gz GNJSYTUYGBXXIB-SFHVURJKSA-N 2 1 328.500 3.565 20 0 EHADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000769927095 1133368235 /nfs/dbraw/zinc/36/82/35/1133368235.db2.gz SJOMXQDROAUUOZ-INIZCTEOSA-N 2 1 336.545 3.779 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000788603583 1134150324 /nfs/dbraw/zinc/15/03/24/1134150324.db2.gz FDPXLTBTFWZMKO-HOTGVXAUSA-N 2 1 325.456 3.663 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000774989652 1134186716 /nfs/dbraw/zinc/18/67/16/1134186716.db2.gz JQDNTWSBLSPDBB-OAHLLOKOSA-N 2 1 339.321 3.968 20 0 EHADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000790962317 1134485285 /nfs/dbraw/zinc/48/52/85/1134485285.db2.gz LHWPEXUXILSNCE-UHFFFAOYSA-N 2 1 344.547 3.672 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000791632840 1134587337 /nfs/dbraw/zinc/58/73/37/1134587337.db2.gz FLNWWHAAPVKOIB-UWJYYQICSA-N 2 1 334.467 3.910 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000791632838 1134587365 /nfs/dbraw/zinc/58/73/65/1134587365.db2.gz FLNWWHAAPVKOIB-LAUBAEHRSA-N 2 1 334.467 3.910 20 0 EHADMP CC[C@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192238 1134702931 /nfs/dbraw/zinc/70/29/31/1134702931.db2.gz JRUCLNTTYADDQG-WTGUMLROSA-N 2 1 334.479 3.855 20 0 EHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190034 1134703024 /nfs/dbraw/zinc/70/30/24/1134703024.db2.gz DNPNSRXGDTZNED-LWYYNNOASA-N 2 1 346.515 3.725 20 0 EHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192235 1134703137 /nfs/dbraw/zinc/70/31/37/1134703137.db2.gz JRUCLNTTYADDQG-LWYYNNOASA-N 2 1 334.479 3.855 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC001170194440 1134710653 /nfs/dbraw/zinc/71/06/53/1134710653.db2.gz XLQJKQWEAHQSMV-BVOGOJNSSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001170262395 1134726733 /nfs/dbraw/zinc/72/67/33/1134726733.db2.gz XSAPJAQPECCNPD-HNNXBMFYSA-N 2 1 329.875 3.616 20 0 EHADMP Cc1[nH+]ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1F ZINC001170337135 1134752490 /nfs/dbraw/zinc/75/24/90/1134752490.db2.gz LUGIHIDEUNFGMS-NNZMDNLPSA-N 2 1 325.431 3.559 20 0 EHADMP C[C@@H](O)CC[N@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078254 1134789760 /nfs/dbraw/zinc/78/97/60/1134789760.db2.gz RFAUMBOCCXFWQI-KNQAVFIVSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@@H](O)CC[N@@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078254 1134789765 /nfs/dbraw/zinc/78/97/65/1134789765.db2.gz RFAUMBOCCXFWQI-KNQAVFIVSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@@H](O)CC[NH+](C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078254 1134789770 /nfs/dbraw/zinc/78/97/70/1134789770.db2.gz RFAUMBOCCXFWQI-KNQAVFIVSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@@H](O)CC[NH+](C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078254 1134789773 /nfs/dbraw/zinc/78/97/73/1134789773.db2.gz RFAUMBOCCXFWQI-KNQAVFIVSA-N 2 1 340.511 3.605 20 0 EHADMP CC(C)C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC001191085787 1134799646 /nfs/dbraw/zinc/79/96/46/1134799646.db2.gz RPVZGFZRFPPMEC-HXUWFJFHSA-N 2 1 336.495 3.693 20 0 EHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001191134500 1134808955 /nfs/dbraw/zinc/80/89/55/1134808955.db2.gz YUPJPJAYONPDRE-RXVVDRJESA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134500 1134808962 /nfs/dbraw/zinc/80/89/62/1134808962.db2.gz YUPJPJAYONPDRE-RXVVDRJESA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134500 1134808972 /nfs/dbraw/zinc/80/89/72/1134808972.db2.gz YUPJPJAYONPDRE-RXVVDRJESA-N 2 1 330.516 3.919 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445277 1134868274 /nfs/dbraw/zinc/86/82/74/1134868274.db2.gz SIRIGODJWFUQMT-PMACEKPBSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445277 1134868278 /nfs/dbraw/zinc/86/82/78/1134868278.db2.gz SIRIGODJWFUQMT-PMACEKPBSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445277 1134868285 /nfs/dbraw/zinc/86/82/85/1134868285.db2.gz SIRIGODJWFUQMT-PMACEKPBSA-N 2 1 334.548 3.922 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2Cl)[C@H](C)C1 ZINC001193649240 1135166529 /nfs/dbraw/zinc/16/65/29/1135166529.db2.gz MYMSMPRIKSINFO-APWZRJJASA-N 2 1 338.923 3.875 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2Cl)[C@H](C)C1 ZINC001193649240 1135166532 /nfs/dbraw/zinc/16/65/32/1135166532.db2.gz MYMSMPRIKSINFO-APWZRJJASA-N 2 1 338.923 3.875 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205639078 1135169248 /nfs/dbraw/zinc/16/92/48/1135169248.db2.gz VLXJVUCXPXQJGS-QWHCGFSZSA-N 2 1 343.284 3.703 20 0 EHADMP CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194942069 1135344764 /nfs/dbraw/zinc/34/47/64/1135344764.db2.gz KNOPABINSJIOOT-FGZHOGPDSA-N 2 1 344.543 3.914 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000806159093 1135404053 /nfs/dbraw/zinc/40/40/53/1135404053.db2.gz XOPQVKDIZNLAQM-JJRVBVJISA-N 2 1 333.907 3.965 20 0 EHADMP COCC[N@@H+](CCCc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001196782101 1135615631 /nfs/dbraw/zinc/61/56/31/1135615631.db2.gz MEQPTABLAOZFBG-UHFFFAOYSA-N 2 1 338.923 3.563 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027666 1135767813 /nfs/dbraw/zinc/76/78/13/1135767813.db2.gz RWMHHUFSWQSFEQ-QZTJIDSGSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027666 1135767815 /nfs/dbraw/zinc/76/78/15/1135767815.db2.gz RWMHHUFSWQSFEQ-QZTJIDSGSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027666 1135767819 /nfs/dbraw/zinc/76/78/19/1135767819.db2.gz RWMHHUFSWQSFEQ-QZTJIDSGSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027668 1135767925 /nfs/dbraw/zinc/76/79/25/1135767925.db2.gz RWMHHUFSWQSFEQ-ZWKOTPCHSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027668 1135767927 /nfs/dbraw/zinc/76/79/27/1135767927.db2.gz RWMHHUFSWQSFEQ-ZWKOTPCHSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027668 1135767929 /nfs/dbraw/zinc/76/79/29/1135767929.db2.gz RWMHHUFSWQSFEQ-ZWKOTPCHSA-N 2 1 338.923 3.609 20 0 EHADMP Cc1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)sc2nc(C)nc(C)c12 ZINC000809705179 1135874918 /nfs/dbraw/zinc/87/49/18/1135874918.db2.gz OOSUNCNGBZRQAP-XYPWUTKMSA-N 2 1 344.528 3.674 20 0 EHADMP Cc1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc2nc(C)nc(C)c12 ZINC000809705179 1135874922 /nfs/dbraw/zinc/87/49/22/1135874922.db2.gz OOSUNCNGBZRQAP-XYPWUTKMSA-N 2 1 344.528 3.674 20 0 EHADMP Cc1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)sc2nc(C)nc(C)c12 ZINC000809705179 1135874925 /nfs/dbraw/zinc/87/49/25/1135874925.db2.gz OOSUNCNGBZRQAP-XYPWUTKMSA-N 2 1 344.528 3.674 20 0 EHADMP c1nc2ccc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)cc2[nH]1 ZINC001137047989 1135892224 /nfs/dbraw/zinc/89/22/24/1135892224.db2.gz XQNUUFZIZQZEFL-UHFFFAOYSA-N 2 1 346.478 3.661 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001199344119 1135896187 /nfs/dbraw/zinc/89/61/87/1135896187.db2.gz FJAYCIORVKBNNO-SJBKTWHCSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@H](C)C3)cc2)C1 ZINC001199320668 1135897363 /nfs/dbraw/zinc/89/73/63/1135897363.db2.gz PJZMHWLIVAVMAE-BMQTXXJKSA-N 2 1 330.516 3.822 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC001199376354 1135901687 /nfs/dbraw/zinc/90/16/87/1135901687.db2.gz DTOVMRMDYWMBSM-UHFFFAOYSA-N 2 1 334.467 3.626 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)C1 ZINC001199743284 1135925677 /nfs/dbraw/zinc/92/56/77/1135925677.db2.gz VTQXFNNUOSDPHZ-AEFFLSMTSA-N 2 1 334.504 3.694 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC001199851112 1135932005 /nfs/dbraw/zinc/93/20/05/1135932005.db2.gz MXUQRNOTRLQJLN-FQEVSTJZSA-N 2 1 344.474 3.607 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC001199851112 1135932008 /nfs/dbraw/zinc/93/20/08/1135932008.db2.gz MXUQRNOTRLQJLN-FQEVSTJZSA-N 2 1 344.474 3.607 20 0 EHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000810163159 1135933600 /nfs/dbraw/zinc/93/36/00/1135933600.db2.gz KVWIOLPHRHHOFR-KLAILNCOSA-N 2 1 341.540 3.532 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000810163159 1135933602 /nfs/dbraw/zinc/93/36/02/1135933602.db2.gz KVWIOLPHRHHOFR-KLAILNCOSA-N 2 1 341.540 3.532 20 0 EHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001201954376 1136077759 /nfs/dbraw/zinc/07/77/59/1136077759.db2.gz NKUJFIGMFXOGPJ-NYVOZVTQSA-N 2 1 344.543 3.948 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC001202348408 1136127445 /nfs/dbraw/zinc/12/74/45/1136127445.db2.gz NSRLWCNTMOTXLQ-DJIMGWMZSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]21 ZINC001202348408 1136127446 /nfs/dbraw/zinc/12/74/46/1136127446.db2.gz NSRLWCNTMOTXLQ-DJIMGWMZSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]21 ZINC001202348408 1136127447 /nfs/dbraw/zinc/12/74/47/1136127447.db2.gz NSRLWCNTMOTXLQ-DJIMGWMZSA-N 2 1 341.421 3.566 20 0 EHADMP COc1cc[nH+]cc1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170645294 1136145060 /nfs/dbraw/zinc/14/50/60/1136145060.db2.gz BVXPOSMXAXWDEJ-WZOJCFFYSA-N 2 1 337.467 3.723 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049009 1136164416 /nfs/dbraw/zinc/16/44/16/1136164416.db2.gz UYPWJXSTVGJARY-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049009 1136164418 /nfs/dbraw/zinc/16/44/18/1136164418.db2.gz UYPWJXSTVGJARY-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049009 1136164420 /nfs/dbraw/zinc/16/44/20/1136164420.db2.gz UYPWJXSTVGJARY-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049009 1136164422 /nfs/dbraw/zinc/16/44/22/1136164422.db2.gz UYPWJXSTVGJARY-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001170676768 1136201220 /nfs/dbraw/zinc/20/12/20/1136201220.db2.gz HVZJSMKJMUEAJP-ROUUACIJSA-N 2 1 334.454 3.676 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001170676768 1136201223 /nfs/dbraw/zinc/20/12/23/1136201223.db2.gz HVZJSMKJMUEAJP-ROUUACIJSA-N 2 1 334.454 3.676 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170678518 1136214029 /nfs/dbraw/zinc/21/40/29/1136214029.db2.gz ZBDVHOOSUVLWQH-BZSNNMDCSA-N 2 1 334.454 3.804 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372936 1136243989 /nfs/dbraw/zinc/24/39/89/1136243989.db2.gz BLIRFOWHINPZAN-BVYCBKJFSA-N 2 1 348.490 3.952 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372936 1136243992 /nfs/dbraw/zinc/24/39/92/1136243992.db2.gz BLIRFOWHINPZAN-BVYCBKJFSA-N 2 1 348.490 3.952 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414072 1136253971 /nfs/dbraw/zinc/25/39/71/1136253971.db2.gz UKCZAXGVRGJVMY-YRXWBPOGSA-N 2 1 336.907 3.614 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850458571 1136262853 /nfs/dbraw/zinc/26/28/53/1136262853.db2.gz VDPLLDFDUCYEJR-LJQANCHMSA-N 2 1 343.515 3.588 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850528692 1136279497 /nfs/dbraw/zinc/27/94/97/1136279497.db2.gz MNFCKVIDGDFTIA-BYZLFZLASA-N 2 1 336.479 3.665 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4SCCS4)[C@@H]3C2)cc1 ZINC000850562236 1136286584 /nfs/dbraw/zinc/28/65/84/1136286584.db2.gz YJRFQAWLXDLNLM-RCCFBDPRSA-N 2 1 348.581 3.683 20 0 EHADMP COc1ccc([C@H](C)NC[C@H](C)C[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000813876962 1136371548 /nfs/dbraw/zinc/37/15/48/1136371548.db2.gz FPAPTFRLVABPJJ-ROUUACIJSA-N 2 1 347.547 3.529 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000813880670 1136371809 /nfs/dbraw/zinc/37/18/09/1136371809.db2.gz IDVPCMLTHVRHFG-AMZGXZFVSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851802037 1136408411 /nfs/dbraw/zinc/40/84/11/1136408411.db2.gz ASXHSOKCCVUZBN-RLLQIKCJSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851802037 1136408413 /nfs/dbraw/zinc/40/84/13/1136408413.db2.gz ASXHSOKCCVUZBN-RLLQIKCJSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802037 1136408417 /nfs/dbraw/zinc/40/84/17/1136408417.db2.gz ASXHSOKCCVUZBN-RLLQIKCJSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802037 1136408421 /nfs/dbraw/zinc/40/84/21/1136408421.db2.gz ASXHSOKCCVUZBN-RLLQIKCJSA-N 2 1 346.515 3.513 20 0 EHADMP CO[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000851880862 1136415353 /nfs/dbraw/zinc/41/53/53/1136415353.db2.gz DKNCUSIXIIUFBY-UXHICEINSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C2CC2)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001170746363 1136448770 /nfs/dbraw/zinc/44/87/70/1136448770.db2.gz ZJXAQDZSSARLIP-UHFFFAOYSA-N 2 1 328.500 3.531 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC001202487843 1136517695 /nfs/dbraw/zinc/51/76/95/1136517695.db2.gz UZLNIQKPCJDPPP-OAQYLSRUSA-N 2 1 342.527 3.710 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853496739 1136538552 /nfs/dbraw/zinc/53/85/52/1136538552.db2.gz JVDFZQRPPDIJSU-UHFFFAOYSA-N 2 1 338.927 3.815 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853496739 1136538554 /nfs/dbraw/zinc/53/85/54/1136538554.db2.gz JVDFZQRPPDIJSU-UHFFFAOYSA-N 2 1 338.927 3.815 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCCC3)C2)ccn1 ZINC000856559454 1136795165 /nfs/dbraw/zinc/79/51/65/1136795165.db2.gz ONOSEKHZLTUYFX-FQEVSTJZSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000856559454 1136795166 /nfs/dbraw/zinc/79/51/66/1136795166.db2.gz ONOSEKHZLTUYFX-FQEVSTJZSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000856559454 1136795168 /nfs/dbraw/zinc/79/51/68/1136795168.db2.gz ONOSEKHZLTUYFX-FQEVSTJZSA-N 2 1 331.504 3.565 20 0 EHADMP CCC[C@@H](C)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559521 1136795193 /nfs/dbraw/zinc/79/51/93/1136795193.db2.gz PLRCESRQHNXABE-XLIONFOSSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559521 1136795195 /nfs/dbraw/zinc/79/51/95/1136795195.db2.gz PLRCESRQHNXABE-XLIONFOSSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559521 1136795197 /nfs/dbraw/zinc/79/51/97/1136795197.db2.gz PLRCESRQHNXABE-XLIONFOSSA-N 2 1 333.520 3.811 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC3CCCC3)C2)ccn1 ZINC000856588752 1136797360 /nfs/dbraw/zinc/79/73/60/1136797360.db2.gz BQZSUJAQKKHJLN-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC3CCCC3)C2)ccn1 ZINC000856588752 1136797363 /nfs/dbraw/zinc/79/73/63/1136797363.db2.gz BQZSUJAQKKHJLN-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819099783 1136908128 /nfs/dbraw/zinc/90/81/28/1136908128.db2.gz BECFKBVABWBZHX-INIZCTEOSA-N 2 1 342.270 3.602 20 0 EHADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819151891 1136914549 /nfs/dbraw/zinc/91/45/49/1136914549.db2.gz HIKDBVOHLIPJGK-CXAGYDPISA-N 2 1 345.314 3.594 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2F)CC1(C)C ZINC000858131784 1136942395 /nfs/dbraw/zinc/94/23/95/1136942395.db2.gz IHGHRKPJRHZWDO-CQSZACIVSA-N 2 1 343.284 3.593 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000858490505 1136972928 /nfs/dbraw/zinc/97/29/28/1136972928.db2.gz IXSQMDCKDDADJL-WMZOPIPTSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000858490505 1136972931 /nfs/dbraw/zinc/97/29/31/1136972931.db2.gz IXSQMDCKDDADJL-WMZOPIPTSA-N 2 1 326.488 3.563 20 0 EHADMP CS[C@@H]1CC[C@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000822446319 1137060312 /nfs/dbraw/zinc/06/03/12/1137060312.db2.gz DQKYZURISVENQQ-RTBURBONSA-N 2 1 333.545 3.771 20 0 EHADMP CS[C@@H]1CC[C@@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000822446318 1137060319 /nfs/dbraw/zinc/06/03/19/1137060319.db2.gz DQKYZURISVENQQ-RBUKOAKNSA-N 2 1 333.545 3.771 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000823671907 1137109227 /nfs/dbraw/zinc/10/92/27/1137109227.db2.gz XIJYCJWEIXEHBW-INIZCTEOSA-N 2 1 343.902 3.920 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000824428242 1137137478 /nfs/dbraw/zinc/13/74/78/1137137478.db2.gz QEVZQTZNFOTIGS-KLCPWKQTSA-N 2 1 328.500 3.728 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078295 1137170209 /nfs/dbraw/zinc/17/02/09/1137170209.db2.gz JARSTARBWMIVFX-YCPHGPKFSA-N 2 1 339.310 3.734 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078295 1137170210 /nfs/dbraw/zinc/17/02/10/1137170210.db2.gz JARSTARBWMIVFX-YCPHGPKFSA-N 2 1 339.310 3.734 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078295 1137170211 /nfs/dbraw/zinc/17/02/11/1137170211.db2.gz JARSTARBWMIVFX-YCPHGPKFSA-N 2 1 339.310 3.734 20 0 EHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001171087408 1137176704 /nfs/dbraw/zinc/17/67/04/1137176704.db2.gz QIMVFHPMJDBMIY-QIIPPGSGSA-N 2 1 339.310 3.734 20 0 EHADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1C(F)(F)F ZINC001143645174 1137186076 /nfs/dbraw/zinc/18/60/76/1137186076.db2.gz NNGNLUGEGWLWRV-UHFFFAOYSA-N 2 1 330.394 3.632 20 0 EHADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C(F)(F)F ZINC001143645174 1137186077 /nfs/dbraw/zinc/18/60/77/1137186077.db2.gz NNGNLUGEGWLWRV-UHFFFAOYSA-N 2 1 330.394 3.632 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000844222173 1137203274 /nfs/dbraw/zinc/20/32/74/1137203274.db2.gz YUBZMEUYFYUZAQ-TZIWHRDSSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000844222173 1137203276 /nfs/dbraw/zinc/20/32/76/1137203276.db2.gz YUBZMEUYFYUZAQ-TZIWHRDSSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000844222173 1137203277 /nfs/dbraw/zinc/20/32/77/1137203277.db2.gz YUBZMEUYFYUZAQ-TZIWHRDSSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222173 1137203279 /nfs/dbraw/zinc/20/32/79/1137203279.db2.gz YUBZMEUYFYUZAQ-TZIWHRDSSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222173 1137203281 /nfs/dbraw/zinc/20/32/81/1137203281.db2.gz YUBZMEUYFYUZAQ-TZIWHRDSSA-N 3 1 331.548 3.881 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144183 1137242909 /nfs/dbraw/zinc/24/29/09/1137242909.db2.gz NVJVSYCXSIOQHK-CABCVRRESA-N 2 1 327.299 3.925 20 0 EHADMP c1c2cnccc2oc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000845930749 1137321115 /nfs/dbraw/zinc/32/11/15/1137321115.db2.gz VSKQCKJECYVGEJ-UHFFFAOYSA-N 2 1 327.472 3.962 20 0 EHADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866267125 1137340836 /nfs/dbraw/zinc/34/08/36/1137340836.db2.gz XUFXPBQQFSFAMJ-JJXUHFIVSA-N 2 1 346.490 3.682 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000846218868 1137342196 /nfs/dbraw/zinc/34/21/96/1137342196.db2.gz ZXWNQVJPZCSOCQ-MRXNPFEDSA-N 2 1 346.450 3.574 20 0 EHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC000846698550 1137362147 /nfs/dbraw/zinc/36/21/47/1137362147.db2.gz IUGLWILUOVNTOJ-YJBOKZPZSA-N 2 1 328.431 3.716 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000846792410 1137365942 /nfs/dbraw/zinc/36/59/42/1137365942.db2.gz JRRMQFVFEMTXBH-UHFFFAOYSA-N 2 1 346.544 3.986 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846847297 1137371728 /nfs/dbraw/zinc/37/17/28/1137371728.db2.gz HEWAHRVIPZVQBL-PBHICJAKSA-N 2 1 347.865 3.874 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846847297 1137371730 /nfs/dbraw/zinc/37/17/30/1137371730.db2.gz HEWAHRVIPZVQBL-PBHICJAKSA-N 2 1 347.865 3.874 20 0 EHADMP CCSC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716628174 1137487844 /nfs/dbraw/zinc/48/78/44/1137487844.db2.gz VHOPEPWNZSQHMK-OTWHNJEPSA-N 2 1 330.541 3.915 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716719011 1137488517 /nfs/dbraw/zinc/48/85/17/1137488517.db2.gz PVHJNZMWZRKPOU-FKBYEOEOSA-N 2 1 349.522 3.965 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716713777 1137488702 /nfs/dbraw/zinc/48/87/02/1137488702.db2.gz QLRXWCVEDMVROO-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716713777 1137488703 /nfs/dbraw/zinc/48/87/03/1137488703.db2.gz QLRXWCVEDMVROO-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716713777 1137488704 /nfs/dbraw/zinc/48/87/04/1137488704.db2.gz QLRXWCVEDMVROO-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CC(=O)N1CCCC[C@@]12CCC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637916 1137504663 /nfs/dbraw/zinc/50/46/63/1137504663.db2.gz SJOGHTRNDISPGM-NRFANRHFSA-N 2 1 349.563 3.505 20 0 EHADMP Cc1cccc(O[C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640652 1137504781 /nfs/dbraw/zinc/50/47/81/1137504781.db2.gz IQGVXOJVRDKPPX-GOSISDBHSA-N 2 1 345.531 3.885 20 0 EHADMP C[C@H]1C[C@@H](n2nc(-c3ccccc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724801 1137505944 /nfs/dbraw/zinc/50/59/44/1137505944.db2.gz BHYXZOSOHRJEED-LAUBAEHRSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171725304 1137506422 /nfs/dbraw/zinc/50/64/22/1137506422.db2.gz IYYLPXUEFGPPMW-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[C@@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725304 1137506424 /nfs/dbraw/zinc/50/64/24/1137506424.db2.gz IYYLPXUEFGPPMW-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725304 1137506426 /nfs/dbraw/zinc/50/64/26/1137506426.db2.gz IYYLPXUEFGPPMW-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3cc(O)ccc32)C[N@H+]1Cc1ccccc1 ZINC001171727706 1137506804 /nfs/dbraw/zinc/50/68/04/1137506804.db2.gz FZLNZQLFOVNTHL-QFBILLFUSA-N 2 1 349.478 3.684 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](CC(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738186 1137510843 /nfs/dbraw/zinc/51/08/43/1137510843.db2.gz GTUCZOHCRMQGDA-RXVVDRJESA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]([C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171738378 1137510875 /nfs/dbraw/zinc/51/08/75/1137510875.db2.gz IOICFCICXNVHBX-CWJKEVGVSA-N 2 1 329.532 3.630 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974953 1137524905 /nfs/dbraw/zinc/52/49/05/1137524905.db2.gz BDQQMWVGHUQVOY-TZIWHRDSSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974953 1137524906 /nfs/dbraw/zinc/52/49/06/1137524906.db2.gz BDQQMWVGHUQVOY-TZIWHRDSSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974953 1137524908 /nfs/dbraw/zinc/52/49/08/1137524908.db2.gz BDQQMWVGHUQVOY-TZIWHRDSSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974953 1137524909 /nfs/dbraw/zinc/52/49/09/1137524909.db2.gz BDQQMWVGHUQVOY-TZIWHRDSSA-N 2 1 330.516 3.667 20 0 EHADMP COCC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975865 1137525419 /nfs/dbraw/zinc/52/54/19/1137525419.db2.gz GXEGHDVHAILXHX-FQEVSTJZSA-N 2 1 330.516 3.788 20 0 EHADMP CC[N@H+](CCCC(=O)OC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977736 1137525719 /nfs/dbraw/zinc/52/57/19/1137525719.db2.gz UDSRCDOMIUPQES-LJQANCHMSA-N 2 1 346.515 3.705 20 0 EHADMP CC[N@@H+](CCCC(=O)OC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977736 1137525721 /nfs/dbraw/zinc/52/57/21/1137525721.db2.gz UDSRCDOMIUPQES-LJQANCHMSA-N 2 1 346.515 3.705 20 0 EHADMP CC[NH+](CCCC(=O)OC)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977736 1137525722 /nfs/dbraw/zinc/52/57/22/1137525722.db2.gz UDSRCDOMIUPQES-LJQANCHMSA-N 2 1 346.515 3.705 20 0 EHADMP CC[NH+](CCCC(=O)OC)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977736 1137525723 /nfs/dbraw/zinc/52/57/23/1137525723.db2.gz UDSRCDOMIUPQES-LJQANCHMSA-N 2 1 346.515 3.705 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979162 1137526239 /nfs/dbraw/zinc/52/62/39/1137526239.db2.gz CSCIOTCLAXCWNO-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979162 1137526240 /nfs/dbraw/zinc/52/62/40/1137526240.db2.gz CSCIOTCLAXCWNO-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979162 1137526241 /nfs/dbraw/zinc/52/62/41/1137526241.db2.gz CSCIOTCLAXCWNO-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP C[N@@H+](CCc1cccnc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986271 1137527537 /nfs/dbraw/zinc/52/75/37/1137527537.db2.gz GMUQFDIDVKKLCA-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986271 1137527538 /nfs/dbraw/zinc/52/75/38/1137527538.db2.gz GMUQFDIDVKKLCA-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986271 1137527540 /nfs/dbraw/zinc/52/75/40/1137527540.db2.gz GMUQFDIDVKKLCA-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP c1ncc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172072085 1137529765 /nfs/dbraw/zinc/52/97/65/1137529765.db2.gz KKHLALFARUJQQV-LDLYASANSA-N 2 1 341.524 3.861 20 0 EHADMP CC(C)[N@H+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075349 1137530341 /nfs/dbraw/zinc/53/03/41/1137530341.db2.gz PZFCSXAPIWVKSX-AERCQKQUSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[N@@H+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075349 1137530343 /nfs/dbraw/zinc/53/03/43/1137530343.db2.gz PZFCSXAPIWVKSX-AERCQKQUSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075349 1137530345 /nfs/dbraw/zinc/53/03/45/1137530345.db2.gz PZFCSXAPIWVKSX-AERCQKQUSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075349 1137530347 /nfs/dbraw/zinc/53/03/47/1137530347.db2.gz PZFCSXAPIWVKSX-AERCQKQUSA-N 2 1 330.516 3.665 20 0 EHADMP O=C1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172077438 1137530415 /nfs/dbraw/zinc/53/04/15/1137530415.db2.gz SIJBFFKALRQXBY-HAGHYFMRSA-N 2 1 326.484 3.673 20 0 EHADMP O=C1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172077438 1137530416 /nfs/dbraw/zinc/53/04/16/1137530416.db2.gz SIJBFFKALRQXBY-HAGHYFMRSA-N 2 1 326.484 3.673 20 0 EHADMP [NH3+]Cc1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172077689 1137530889 /nfs/dbraw/zinc/53/08/89/1137530889.db2.gz VKNOXXMJPRYBSW-MZADTFQBSA-N 2 1 336.483 3.538 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079705 1137531202 /nfs/dbraw/zinc/53/12/02/1137531202.db2.gz POSXJMVDDGCTRD-MIUGBVLSSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079705 1137531203 /nfs/dbraw/zinc/53/12/03/1137531203.db2.gz POSXJMVDDGCTRD-MIUGBVLSSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079705 1137531205 /nfs/dbraw/zinc/53/12/05/1137531205.db2.gz POSXJMVDDGCTRD-MIUGBVLSSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)[C@@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083340 1137531694 /nfs/dbraw/zinc/53/16/94/1137531694.db2.gz PIUIDUFRZRLELF-CBPXPLCBSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083340 1137531696 /nfs/dbraw/zinc/53/16/96/1137531696.db2.gz PIUIDUFRZRLELF-CBPXPLCBSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083340 1137531698 /nfs/dbraw/zinc/53/16/98/1137531698.db2.gz PIUIDUFRZRLELF-CBPXPLCBSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083340 1137531700 /nfs/dbraw/zinc/53/17/00/1137531700.db2.gz PIUIDUFRZRLELF-CBPXPLCBSA-N 2 1 342.527 3.929 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC001172101660 1137531867 /nfs/dbraw/zinc/53/18/67/1137531867.db2.gz HFHOXIYRDVUTER-OSYLJGHBSA-N 2 1 327.497 3.915 20 0 EHADMP C[N@H+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090690 1137531994 /nfs/dbraw/zinc/53/19/94/1137531994.db2.gz WBKDTTBLHFNVFM-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090690 1137531995 /nfs/dbraw/zinc/53/19/95/1137531995.db2.gz WBKDTTBLHFNVFM-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090690 1137531996 /nfs/dbraw/zinc/53/19/96/1137531996.db2.gz WBKDTTBLHFNVFM-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090690 1137531997 /nfs/dbraw/zinc/53/19/97/1137531997.db2.gz WBKDTTBLHFNVFM-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065020 1137532761 /nfs/dbraw/zinc/53/27/61/1137532761.db2.gz HJIASDLUMDJJOV-BURNTYAHSA-N 2 1 330.516 3.713 20 0 EHADMP O=C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172063296 1137532878 /nfs/dbraw/zinc/53/28/78/1137532878.db2.gz BTVBYNNYZTUADJ-OWZKRDHZSA-N 2 1 326.484 3.673 20 0 EHADMP O=C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063296 1137532880 /nfs/dbraw/zinc/53/28/80/1137532880.db2.gz BTVBYNNYZTUADJ-OWZKRDHZSA-N 2 1 326.484 3.673 20 0 EHADMP O=C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172063295 1137532968 /nfs/dbraw/zinc/53/29/68/1137532968.db2.gz BTVBYNNYZTUADJ-ACDBMABISA-N 2 1 326.484 3.673 20 0 EHADMP O=C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063295 1137532969 /nfs/dbraw/zinc/53/29/69/1137532969.db2.gz BTVBYNNYZTUADJ-ACDBMABISA-N 2 1 326.484 3.673 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cccc(Br)c1)C2 ZINC001172100209 1137533099 /nfs/dbraw/zinc/53/30/99/1137533099.db2.gz BDBIVECOTIYHSS-OSYLJGHBSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@H+]1CCC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172063084 1137533229 /nfs/dbraw/zinc/53/32/29/1137533229.db2.gz WDVNLDHBDOIGRD-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063084 1137533230 /nfs/dbraw/zinc/53/32/30/1137533230.db2.gz WDVNLDHBDOIGRD-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063084 1137533231 /nfs/dbraw/zinc/53/32/31/1137533231.db2.gz WDVNLDHBDOIGRD-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067822 1137534528 /nfs/dbraw/zinc/53/45/28/1137534528.db2.gz ODPJNDDUHMUTDV-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067822 1137534530 /nfs/dbraw/zinc/53/45/30/1137534530.db2.gz ODPJNDDUHMUTDV-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067822 1137534531 /nfs/dbraw/zinc/53/45/31/1137534531.db2.gz ODPJNDDUHMUTDV-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001172069237 1137534575 /nfs/dbraw/zinc/53/45/75/1137534575.db2.gz SHESFQQWMZUJPR-OWZKRDHZSA-N 2 1 328.500 3.731 20 0 EHADMP COC1(c2ccccc2)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172128215 1137534862 /nfs/dbraw/zinc/53/48/62/1137534862.db2.gz PXTJDNHMKUFUJM-ACDBMABISA-N 2 1 328.500 3.639 20 0 EHADMP COC1(c2ccccc2)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172128215 1137534863 /nfs/dbraw/zinc/53/48/63/1137534863.db2.gz PXTJDNHMKUFUJM-ACDBMABISA-N 2 1 328.500 3.639 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[NH2+]CC3)C2 ZINC001172127282 1137534887 /nfs/dbraw/zinc/53/48/87/1137534887.db2.gz HYCYNOLQQIAZMM-ZSHCYNCHSA-N 2 1 327.447 3.614 20 0 EHADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001172109607 1137537077 /nfs/dbraw/zinc/53/70/77/1137537077.db2.gz FBUCBMOETLXTJL-UXJHKWJQSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001172109607 1137537079 /nfs/dbraw/zinc/53/70/79/1137537079.db2.gz FBUCBMOETLXTJL-UXJHKWJQSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001172109607 1137537080 /nfs/dbraw/zinc/53/70/80/1137537080.db2.gz FBUCBMOETLXTJL-UXJHKWJQSA-N 2 1 341.543 3.597 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120546 1137538642 /nfs/dbraw/zinc/53/86/42/1137538642.db2.gz GBXQFLXCUSZTEX-YRPNKDGESA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120546 1137538643 /nfs/dbraw/zinc/53/86/43/1137538643.db2.gz GBXQFLXCUSZTEX-YRPNKDGESA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120546 1137538645 /nfs/dbraw/zinc/53/86/45/1137538645.db2.gz GBXQFLXCUSZTEX-YRPNKDGESA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120546 1137538647 /nfs/dbraw/zinc/53/86/47/1137538647.db2.gz GBXQFLXCUSZTEX-YRPNKDGESA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1C[N@H+](C1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172222880 1137542109 /nfs/dbraw/zinc/54/21/09/1137542109.db2.gz KGUNDNCWNDZLQN-YRMMNHGISA-N 2 1 328.500 3.777 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CO1 ZINC001172280940 1137547869 /nfs/dbraw/zinc/54/78/69/1137547869.db2.gz OZVXEKJJFMCGHL-ZDUSSCGKSA-N 2 1 342.405 3.523 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CO1 ZINC001172280939 1137547926 /nfs/dbraw/zinc/54/79/26/1137547926.db2.gz OZVXEKJJFMCGHL-CYBMUJFWSA-N 2 1 342.405 3.523 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001172337987 1137551799 /nfs/dbraw/zinc/55/17/99/1137551799.db2.gz XOLZNXGHFGNLRC-IRXDYDNUSA-N 2 1 334.504 3.539 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872028343 1137566224 /nfs/dbraw/zinc/56/62/24/1137566224.db2.gz JHEBWGDIBGVQGJ-HKBOAZHASA-N 2 1 330.516 3.693 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000872040947 1137567095 /nfs/dbraw/zinc/56/70/95/1137567095.db2.gz DHQZDUMEVWQLBZ-WJMWBRGCSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000872040947 1137567096 /nfs/dbraw/zinc/56/70/96/1137567096.db2.gz DHQZDUMEVWQLBZ-WJMWBRGCSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCOC1 ZINC000872044180 1137567339 /nfs/dbraw/zinc/56/73/39/1137567339.db2.gz RISLXFUDOMYPJY-UXJHKWJQSA-N 2 1 344.543 3.938 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC000872148965 1137573968 /nfs/dbraw/zinc/57/39/68/1137573968.db2.gz JMSSSRDYFGCGLO-SIXLDLHFSA-N 2 1 326.406 3.639 20 0 EHADMP CCCCn1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1Cl ZINC000872252751 1137576478 /nfs/dbraw/zinc/57/64/78/1137576478.db2.gz VEBABCKDCMEKJL-AWEZNQCLSA-N 2 1 326.916 3.513 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873231317 1137594485 /nfs/dbraw/zinc/59/44/85/1137594485.db2.gz FMNUNDMNAILMOJ-WIYYLYMNSA-N 2 1 343.515 3.765 20 0 EHADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231575 1137594489 /nfs/dbraw/zinc/59/44/89/1137594489.db2.gz PBDKPEQQLJLIQY-WMLDXEAASA-N 2 1 338.927 3.502 20 0 EHADMP CC[C@](C)(CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)OC ZINC000876865584 1137664183 /nfs/dbraw/zinc/66/41/83/1137664183.db2.gz CVAKPUNUAXJIKQ-HXUWFJFHSA-N 2 1 333.520 3.692 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876988627 1137667054 /nfs/dbraw/zinc/66/70/54/1137667054.db2.gz HPTIFWKWUMKOTI-KRWDZBQOSA-N 2 1 347.503 3.855 20 0 EHADMP Clc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nn1 ZINC000877034836 1137668286 /nfs/dbraw/zinc/66/82/86/1137668286.db2.gz BLQAOYULUMGIGE-UHFFFAOYSA-N 2 1 344.890 3.796 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000877653617 1137684319 /nfs/dbraw/zinc/68/43/19/1137684319.db2.gz OSTDEYAWNSOCLR-QGZVFWFLSA-N 2 1 347.503 3.855 20 0 EHADMP CC(C)C[N@H+](Cc1ccnc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC000877767385 1137689032 /nfs/dbraw/zinc/68/90/32/1137689032.db2.gz GSYVVHOBKQFMSO-UHFFFAOYSA-N 2 1 327.875 3.674 20 0 EHADMP Clc1ccc2ccc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)nc2c1 ZINC000878252706 1137708661 /nfs/dbraw/zinc/70/86/61/1137708661.db2.gz SDHCXOAXADCEBS-CQSZACIVSA-N 2 1 326.831 3.991 20 0 EHADMP CC1(C)C[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C(C)(C)O1 ZINC000878527907 1137718912 /nfs/dbraw/zinc/71/89/12/1137718912.db2.gz IOPBFAIMKMJBHV-QGZVFWFLSA-N 2 1 345.531 3.993 20 0 EHADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000879286187 1137743465 /nfs/dbraw/zinc/74/34/65/1137743465.db2.gz MPLKMCXTSCAFMQ-FQEVSTJZSA-N 2 1 326.484 3.679 20 0 EHADMP CC(C)C[N@H+](Cc1nc(-c2cccs2)no1)CC1CC[NH+](C)CC1 ZINC000879701786 1137755752 /nfs/dbraw/zinc/75/57/52/1137755752.db2.gz ALYMHWAXLSKMOB-UHFFFAOYSA-N 2 1 348.516 3.598 20 0 EHADMP CC(C)C[N@H+](Cc1ccc(C(F)(F)F)cn1)CC1CC[NH+](C)CC1 ZINC000879703312 1137755877 /nfs/dbraw/zinc/75/58/77/1137755877.db2.gz HWUUPZCRYSPDLC-UHFFFAOYSA-N 2 1 343.437 3.900 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(Cl)c1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883083844 1137844023 /nfs/dbraw/zinc/84/40/23/1137844023.db2.gz AGACWIBUYCZLPE-YJBOKZPZSA-N 2 1 343.902 3.922 20 0 EHADMP CC[C@@H]1C[C@@H](CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCO1 ZINC000883345955 1137856251 /nfs/dbraw/zinc/85/62/51/1137856251.db2.gz OAINTRLFHHFSAM-IOMROCGXSA-N 2 1 343.515 3.588 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@]34CCCO4)CC23CC3)cc1 ZINC000883366851 1137857873 /nfs/dbraw/zinc/85/78/73/1137857873.db2.gz AWQJUIHQJIWGLI-VWPQPMDRSA-N 2 1 340.511 3.875 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[C@]34CCCO4)CC23CC3)cc1 ZINC000883366851 1137857874 /nfs/dbraw/zinc/85/78/74/1137857874.db2.gz AWQJUIHQJIWGLI-VWPQPMDRSA-N 2 1 340.511 3.875 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000883378940 1137858185 /nfs/dbraw/zinc/85/81/85/1137858185.db2.gz GKEWVEVYIBKAHT-XLIONFOSSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000883378940 1137858186 /nfs/dbraw/zinc/85/81/86/1137858186.db2.gz GKEWVEVYIBKAHT-XLIONFOSSA-N 2 1 328.500 3.588 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1 ZINC000883384800 1137858652 /nfs/dbraw/zinc/85/86/52/1137858652.db2.gz ZAPZYVDICPXKGD-LJQANCHMSA-N 2 1 344.499 3.523 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000348255260 1137883898 /nfs/dbraw/zinc/88/38/98/1137883898.db2.gz IHWHHLWKBPUHIR-UHFFFAOYSA-N 2 1 328.391 3.508 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000348255260 1137883899 /nfs/dbraw/zinc/88/38/99/1137883899.db2.gz IHWHHLWKBPUHIR-UHFFFAOYSA-N 2 1 328.391 3.508 20 0 EHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348284863 1137896586 /nfs/dbraw/zinc/89/65/86/1137896586.db2.gz LGMBDHZZMQMMIG-BMGDILEWSA-N 2 1 341.455 3.563 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000109786103 1137897423 /nfs/dbraw/zinc/89/74/23/1137897423.db2.gz KCUFCXRGBLIEHV-UHFFFAOYSA-N 2 1 342.483 3.716 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000109786103 1137897424 /nfs/dbraw/zinc/89/74/24/1137897424.db2.gz KCUFCXRGBLIEHV-UHFFFAOYSA-N 2 1 342.483 3.716 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331713876 1137918020 /nfs/dbraw/zinc/91/80/20/1137918020.db2.gz MJBGEOGELDMDEM-QAPCUYQASA-N 2 1 329.488 3.636 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c2ccccc21 ZINC000886638355 1138104464 /nfs/dbraw/zinc/10/44/64/1138104464.db2.gz RZBGIJBAKWHFFK-CTOYRMGLSA-N 2 1 348.490 3.808 20 0 EHADMP COCC[C@@H](c1ccccc1)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664599 1138111190 /nfs/dbraw/zinc/11/11/90/1138111190.db2.gz RGIFPQKNJLBJRX-IBGZPJMESA-N 2 1 327.472 3.984 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000090585253 1138212086 /nfs/dbraw/zinc/21/20/86/1138212086.db2.gz NXISKGCHDLWDBN-DLBZAZTESA-N 2 1 334.504 3.722 20 0 EHADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128462168 1138390221 /nfs/dbraw/zinc/39/02/21/1138390221.db2.gz CRNGYYQQRYZYET-SFHVURJKSA-N 2 1 349.588 3.865 20 0 EHADMP C[N@H+](Cc1cnc2ccccc2c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000337189017 1138489653 /nfs/dbraw/zinc/48/96/53/1138489653.db2.gz REQIHJBIQHROJU-UHFFFAOYSA-N 2 1 346.478 3.978 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2OC(F)F)cc1 ZINC000337568040 1138607820 /nfs/dbraw/zinc/60/78/20/1138607820.db2.gz ZORDPIGMPULEQP-AFAVFJNCSA-N 2 1 335.398 3.992 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1F ZINC000338008627 1138722209 /nfs/dbraw/zinc/72/22/09/1138722209.db2.gz DCSJPUNEJAPJKR-WRGRXTPVSA-N 2 1 339.458 3.782 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1F ZINC000338008627 1138722212 /nfs/dbraw/zinc/72/22/12/1138722212.db2.gz DCSJPUNEJAPJKR-WRGRXTPVSA-N 2 1 339.458 3.782 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000338007722 1138722287 /nfs/dbraw/zinc/72/22/87/1138722287.db2.gz BCPABISLCAYDLG-OALUTQOASA-N 2 1 327.472 3.555 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517143 1139426242 /nfs/dbraw/zinc/42/62/42/1139426242.db2.gz XLHIZRXYDICOBT-SJLPKXTDSA-N 2 1 334.467 3.598 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000177954427 1139658269 /nfs/dbraw/zinc/65/82/69/1139658269.db2.gz KFBOKTHFIUWGNK-LIRRHRJNSA-N 2 1 335.455 3.642 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632858 1139707746 /nfs/dbraw/zinc/70/77/46/1139707746.db2.gz GRYPPUSFOOIPLP-AEFFLSMTSA-N 2 1 327.497 3.726 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632858 1139707751 /nfs/dbraw/zinc/70/77/51/1139707751.db2.gz GRYPPUSFOOIPLP-AEFFLSMTSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632858 1139707758 /nfs/dbraw/zinc/70/77/58/1139707758.db2.gz GRYPPUSFOOIPLP-AEFFLSMTSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632858 1139707761 /nfs/dbraw/zinc/70/77/61/1139707761.db2.gz GRYPPUSFOOIPLP-AEFFLSMTSA-N 2 1 327.497 3.726 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000178695435 1139711734 /nfs/dbraw/zinc/71/17/34/1139711734.db2.gz UJYLXPNMLUQISY-CQSZACIVSA-N 2 1 328.435 3.552 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180151800 1139813630 /nfs/dbraw/zinc/81/36/30/1139813630.db2.gz GIKCSTBDZBWDMF-XCSKNGGISA-N 2 1 344.543 3.816 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000182251612 1139960573 /nfs/dbraw/zinc/96/05/73/1139960573.db2.gz HIMINGOJIMHXBZ-QFBILLFUSA-N 2 1 342.458 3.633 20 0 EHADMP CC1(C)OCc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000186349038 1140199551 /nfs/dbraw/zinc/19/95/51/1140199551.db2.gz FZGYFHVXFDRVEA-SFHVURJKSA-N 2 1 344.499 3.640 20 0 EHADMP CC1(C)OCc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000186349038 1140199553 /nfs/dbraw/zinc/19/95/53/1140199553.db2.gz FZGYFHVXFDRVEA-SFHVURJKSA-N 2 1 344.499 3.640 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000187092706 1140238247 /nfs/dbraw/zinc/23/82/47/1140238247.db2.gz ZVZZAUCVIFGBSJ-UHFFFAOYSA-N 2 1 332.488 3.542 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187777808 1140271203 /nfs/dbraw/zinc/27/12/03/1140271203.db2.gz CSVGBLKVNPYECE-APWZRJJASA-N 2 1 344.478 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187777808 1140271206 /nfs/dbraw/zinc/27/12/06/1140271206.db2.gz CSVGBLKVNPYECE-APWZRJJASA-N 2 1 344.478 3.882 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC000188656750 1140303945 /nfs/dbraw/zinc/30/39/45/1140303945.db2.gz NRDHOBSYPSSGMS-BBRMVZONSA-N 2 1 326.406 3.809 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000191297213 1140452605 /nfs/dbraw/zinc/45/26/05/1140452605.db2.gz UIRWWWFWACDLHV-CHWSQXEVSA-N 2 1 328.909 3.553 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3sccc3Cl)CC2)nc(C)[nH+]1 ZINC000193139858 1140565387 /nfs/dbraw/zinc/56/53/87/1140565387.db2.gz ZYOTYFJKDAGNRK-UHFFFAOYSA-N 2 1 336.892 3.567 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268743085 1140981650 /nfs/dbraw/zinc/98/16/50/1140981650.db2.gz SZMXRZYRRFDAGZ-RXVVDRJESA-N 2 1 340.515 3.533 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268743085 1140981652 /nfs/dbraw/zinc/98/16/52/1140981652.db2.gz SZMXRZYRRFDAGZ-RXVVDRJESA-N 2 1 340.515 3.533 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268743086 1140981871 /nfs/dbraw/zinc/98/18/71/1140981871.db2.gz SZMXRZYRRFDAGZ-WIYYLYMNSA-N 2 1 340.515 3.533 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268743086 1140981876 /nfs/dbraw/zinc/98/18/76/1140981876.db2.gz SZMXRZYRRFDAGZ-WIYYLYMNSA-N 2 1 340.515 3.533 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000268851656 1141007668 /nfs/dbraw/zinc/00/76/68/1141007668.db2.gz KGQIMOIZLJHCGE-UONOGXRCSA-N 2 1 328.485 3.973 20 0 EHADMP Oc1ccc(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000268883430 1141016842 /nfs/dbraw/zinc/01/68/42/1141016842.db2.gz IIMVKHJBGFWYJK-UHFFFAOYSA-N 2 1 338.495 3.622 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269015486 1141046345 /nfs/dbraw/zinc/04/63/45/1141046345.db2.gz YEZRXWCWEYZJAE-UYAOXDASSA-N 2 1 332.532 3.818 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269015486 1141046353 /nfs/dbraw/zinc/04/63/53/1141046353.db2.gz YEZRXWCWEYZJAE-UYAOXDASSA-N 2 1 332.532 3.818 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000269027654 1141050234 /nfs/dbraw/zinc/05/02/34/1141050234.db2.gz QXKRWZPHVOZHNF-HNNXBMFYSA-N 2 1 330.472 3.515 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000269026783 1141050637 /nfs/dbraw/zinc/05/06/37/1141050637.db2.gz RZSPAXBUSDVOGI-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000269026783 1141050645 /nfs/dbraw/zinc/05/06/45/1141050645.db2.gz RZSPAXBUSDVOGI-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413417 1141220431 /nfs/dbraw/zinc/22/04/31/1141220431.db2.gz DVOOMCNKFFKERY-OALUTQOASA-N 2 1 336.907 3.570 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000271488557 1141379652 /nfs/dbraw/zinc/37/96/52/1141379652.db2.gz KBPZKNSRKVEHFL-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000271488557 1141379660 /nfs/dbraw/zinc/37/96/60/1141379660.db2.gz KBPZKNSRKVEHFL-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OCC(C)C ZINC000271648173 1141412963 /nfs/dbraw/zinc/41/29/63/1141412963.db2.gz IPLSYSUYIAHCPQ-OAHLLOKOSA-N 2 1 331.460 3.586 20 0 EHADMP Clc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000283201839 1141572239 /nfs/dbraw/zinc/57/22/39/1141572239.db2.gz RLAZVIJVCJFVFE-WFASDCNBSA-N 2 1 340.298 3.837 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165018815 721797720 /nfs/dbraw/zinc/79/77/20/721797720.db2.gz CJKWWZRZYWYPFX-YSIASYRMSA-N 2 1 336.483 3.522 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165018815 721797721 /nfs/dbraw/zinc/79/77/21/721797721.db2.gz CJKWWZRZYWYPFX-YSIASYRMSA-N 2 1 336.483 3.522 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459419474 1032068636 /nfs/dbraw/zinc/06/86/36/1032068636.db2.gz USGHTGNOYFDZFW-VMXMFDLUSA-N 2 1 330.516 3.517 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182236432 1032080787 /nfs/dbraw/zinc/08/07/87/1032080787.db2.gz RERQJACZHOYMIK-RTBURBONSA-N 2 1 344.524 3.946 20 0 EHADMP COc1cc(F)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405634 1014259062 /nfs/dbraw/zinc/25/90/62/1014259062.db2.gz ZJGIKECVOPKBSG-JXFKEZNVSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405634 1014259065 /nfs/dbraw/zinc/25/90/65/1014259065.db2.gz ZJGIKECVOPKBSG-JXFKEZNVSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405634 1014259075 /nfs/dbraw/zinc/25/90/75/1014259075.db2.gz ZJGIKECVOPKBSG-JXFKEZNVSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405634 1014259081 /nfs/dbraw/zinc/25/90/81/1014259081.db2.gz ZJGIKECVOPKBSG-JXFKEZNVSA-N 2 1 342.458 3.977 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000154101911 1015011863 /nfs/dbraw/zinc/01/18/63/1015011863.db2.gz ZFWCZSMBIKNPQK-DNVCBOLYSA-N 2 1 338.455 3.727 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000274763973 1015019764 /nfs/dbraw/zinc/01/97/64/1015019764.db2.gz KSGPBNTVLIXFNK-RYRKJORJSA-N 2 1 329.513 3.747 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618103 1015102194 /nfs/dbraw/zinc/10/21/94/1015102194.db2.gz RTPGCRIWPUDMFM-SIIHOXLZSA-N 2 1 339.310 3.909 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618103 1015102202 /nfs/dbraw/zinc/10/22/02/1015102202.db2.gz RTPGCRIWPUDMFM-SIIHOXLZSA-N 2 1 339.310 3.909 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618103 1015102206 /nfs/dbraw/zinc/10/22/06/1015102206.db2.gz RTPGCRIWPUDMFM-SIIHOXLZSA-N 2 1 339.310 3.909 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618103 1015102214 /nfs/dbraw/zinc/10/22/14/1015102214.db2.gz RTPGCRIWPUDMFM-SIIHOXLZSA-N 2 1 339.310 3.909 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000339659014 1015476770 /nfs/dbraw/zinc/47/67/70/1015476770.db2.gz VSJPKYAMBWHVBI-SFHVURJKSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000339659014 1015476787 /nfs/dbraw/zinc/47/67/87/1015476787.db2.gz VSJPKYAMBWHVBI-SFHVURJKSA-N 2 1 333.863 3.778 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862584 1015516166 /nfs/dbraw/zinc/51/61/66/1015516166.db2.gz DCFJNZVUUNVZMQ-FGSXEWAUSA-N 2 1 338.495 3.740 20 0 EHADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000154540827 1015540790 /nfs/dbraw/zinc/54/07/90/1015540790.db2.gz YTHKVMDYXUSKJS-IBGZPJMESA-N 2 1 337.939 3.798 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000232646524 1015653203 /nfs/dbraw/zinc/65/32/03/1015653203.db2.gz ANYPJPWABYJEGA-ZDUSSCGKSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000232646524 1015653210 /nfs/dbraw/zinc/65/32/10/1015653210.db2.gz ANYPJPWABYJEGA-ZDUSSCGKSA-N 2 1 345.712 3.922 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657838045 1032127117 /nfs/dbraw/zinc/12/71/17/1032127117.db2.gz NBRPRGAKEXLEIU-YLJYHZDGSA-N 2 1 328.500 3.720 20 0 EHADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183149819 1032136149 /nfs/dbraw/zinc/13/61/49/1032136149.db2.gz GGIUXRVUPSVWGW-GJZGRUSLSA-N 2 1 342.487 3.525 20 0 EHADMP COCC[N@@H+](C)CCCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000443438018 1016059724 /nfs/dbraw/zinc/05/97/24/1016059724.db2.gz NODVVXSLXLTEOM-UHFFFAOYSA-N 2 1 341.377 3.634 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000579891398 1016491139 /nfs/dbraw/zinc/49/11/39/1016491139.db2.gz PQSIKRAVMRSSMG-SRABZTEZSA-N 2 1 328.422 3.726 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398187669 1016554761 /nfs/dbraw/zinc/55/47/61/1016554761.db2.gz YNGRDRCZKZIXDB-FXAWDEMLSA-N 2 1 348.494 3.643 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398187669 1016554774 /nfs/dbraw/zinc/55/47/74/1016554774.db2.gz YNGRDRCZKZIXDB-FXAWDEMLSA-N 2 1 348.494 3.643 20 0 EHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000340182794 1016629735 /nfs/dbraw/zinc/62/97/35/1016629735.db2.gz KMUVZMDEJDPBRF-HXUWFJFHSA-N 2 1 328.500 3.721 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000275399842 1016696765 /nfs/dbraw/zinc/69/67/65/1016696765.db2.gz CKPWYKPFZMKNHF-QWHCGFSZSA-N 2 1 334.261 3.559 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)c2C1 ZINC000236811748 1016754106 /nfs/dbraw/zinc/75/41/06/1016754106.db2.gz DGCDTKHVFRRVJL-IBGZPJMESA-N 2 1 337.467 3.831 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)c2C1 ZINC000236811748 1016754119 /nfs/dbraw/zinc/75/41/19/1016754119.db2.gz DGCDTKHVFRRVJL-IBGZPJMESA-N 2 1 337.467 3.831 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000340241281 1016764605 /nfs/dbraw/zinc/76/46/05/1016764605.db2.gz NULLUNIRPSWVBZ-PKOBYXMFSA-N 2 1 335.561 3.690 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000340241281 1016764613 /nfs/dbraw/zinc/76/46/13/1016764613.db2.gz NULLUNIRPSWVBZ-PKOBYXMFSA-N 2 1 335.561 3.690 20 0 EHADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275493442 1016917473 /nfs/dbraw/zinc/91/74/73/1016917473.db2.gz JECIPJUULQOMKT-STQMWFEESA-N 2 1 338.282 3.973 20 0 EHADMP C[C@@H](CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831378 1016993361 /nfs/dbraw/zinc/99/33/61/1016993361.db2.gz VUSXUXWLNLOXFC-JAXLGGSGSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831378 1016993372 /nfs/dbraw/zinc/99/33/72/1016993372.db2.gz VUSXUXWLNLOXFC-JAXLGGSGSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831378 1016993383 /nfs/dbraw/zinc/99/33/83/1016993383.db2.gz VUSXUXWLNLOXFC-JAXLGGSGSA-N 3 1 343.559 3.751 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000536698504 1032156076 /nfs/dbraw/zinc/15/60/76/1032156076.db2.gz SOWCXUZMHWLTAQ-UHFFFAOYSA-N 2 1 340.458 3.535 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)cc1 ZINC000191575585 1032256079 /nfs/dbraw/zinc/25/60/79/1032256079.db2.gz VUFFTYBZHKTQHU-DYESRHJHSA-N 2 1 349.478 3.743 20 0 EHADMP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449219518 1032335920 /nfs/dbraw/zinc/33/59/20/1032335920.db2.gz NNMBKYVWCPLKQC-HZPDHXFCSA-N 2 1 339.568 3.558 20 0 EHADMP Fc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250756621 1032351871 /nfs/dbraw/zinc/35/18/71/1032351871.db2.gz NLEHHJGPLRMRRN-FVQBIDKESA-N 2 1 341.268 3.599 20 0 EHADMP c1c2cccnc2oc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000449335286 1032471310 /nfs/dbraw/zinc/47/13/10/1032471310.db2.gz KSMWYFHDDLRPST-UXHICEINSA-N 2 1 347.462 3.782 20 0 EHADMP c1c2cccnc2oc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000449335286 1032471311 /nfs/dbraw/zinc/47/13/11/1032471311.db2.gz KSMWYFHDDLRPST-UXHICEINSA-N 2 1 347.462 3.782 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024586 1032489949 /nfs/dbraw/zinc/48/99/49/1032489949.db2.gz QUJVQKOMLFZVEN-PXNSSMCTSA-N 2 1 339.483 3.796 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000537096403 1032509698 /nfs/dbraw/zinc/50/96/98/1032509698.db2.gz UQOYVPVLMAJHGO-LBPRGKRZSA-N 2 1 343.284 3.593 20 0 EHADMP COc1cccc([C@H]2C[N@H+](CCCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627587 1032524729 /nfs/dbraw/zinc/52/47/29/1032524729.db2.gz WAFMJQRFHNIBPW-LJQANCHMSA-N 2 1 327.472 3.716 20 0 EHADMP COc1cccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627587 1032524737 /nfs/dbraw/zinc/52/47/37/1032524737.db2.gz WAFMJQRFHNIBPW-LJQANCHMSA-N 2 1 327.472 3.716 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000537294028 1032599798 /nfs/dbraw/zinc/59/97/98/1032599798.db2.gz RQYPSFQMFWEPBR-RYQLBKOJSA-N 2 1 336.545 3.753 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000537294028 1032599808 /nfs/dbraw/zinc/59/98/08/1032599808.db2.gz RQYPSFQMFWEPBR-RYQLBKOJSA-N 2 1 336.545 3.753 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449488790 1032644495 /nfs/dbraw/zinc/64/44/95/1032644495.db2.gz LDVBOUUSOMCJBW-QNWVGRARSA-N 2 1 349.522 3.823 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449488791 1032645026 /nfs/dbraw/zinc/64/50/26/1032645026.db2.gz LDVBOUUSOMCJBW-QZNHQXDQSA-N 2 1 349.522 3.823 20 0 EHADMP Cc1ccc(COc2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)cc2)cc1 ZINC000537346187 1032646480 /nfs/dbraw/zinc/64/64/80/1032646480.db2.gz XWJJCKHWCGKFRX-UHFFFAOYSA-N 2 1 336.479 3.926 20 0 EHADMP CCCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000537345090 1032643808 /nfs/dbraw/zinc/64/38/08/1032643808.db2.gz VNNVBVJLSZEXIA-UHFFFAOYSA-N 2 1 332.488 3.616 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000892737297 1017275628 /nfs/dbraw/zinc/27/56/28/1017275628.db2.gz ASCUQQSPZNXWKE-LXPRWKDFSA-N 2 1 336.545 3.755 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000892737297 1017275634 /nfs/dbraw/zinc/27/56/34/1017275634.db2.gz ASCUQQSPZNXWKE-LXPRWKDFSA-N 2 1 336.545 3.755 20 0 EHADMP CCCCOc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655694754 1017412039 /nfs/dbraw/zinc/41/20/39/1017412039.db2.gz LBYPFUIKNULDFK-OAQYLSRUSA-N 2 1 346.515 3.599 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000655709430 1017431335 /nfs/dbraw/zinc/43/13/35/1017431335.db2.gz ZRNALKNVDJPUQJ-UHFFFAOYSA-N 2 1 344.478 3.530 20 0 EHADMP c1ccc(C2CCC(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655712104 1017434344 /nfs/dbraw/zinc/43/43/44/1017434344.db2.gz POTSSFLBZPLHJE-ZNIKRAEXSA-N 2 1 342.527 3.803 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415034775 1017440624 /nfs/dbraw/zinc/44/06/24/1017440624.db2.gz DBRKERYXGLHFHZ-YJBOKZPZSA-N 2 1 329.875 3.852 20 0 EHADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655708103 1017442104 /nfs/dbraw/zinc/44/21/04/1017442104.db2.gz DHZLFIVUXVTUKX-NHCUHLMSSA-N 2 1 328.500 3.761 20 0 EHADMP Clc1cccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655725214 1017469771 /nfs/dbraw/zinc/46/97/71/1017469771.db2.gz OARFLPQKLQKDSE-IBGZPJMESA-N 2 1 336.907 3.506 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC ZINC000415054641 1017478544 /nfs/dbraw/zinc/47/85/44/1017478544.db2.gz QFLPMTBPCYGLRP-MOPGFXCFSA-N 2 1 346.515 3.838 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415056225 1017480978 /nfs/dbraw/zinc/48/09/78/1017480978.db2.gz RYIBRPAYDKXSPT-WIYYLYMNSA-N 2 1 339.458 3.852 20 0 EHADMP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415073321 1017513194 /nfs/dbraw/zinc/51/31/94/1017513194.db2.gz AWFCYCYXVOTCLB-XFQXTVEOSA-N 2 1 328.431 3.676 20 0 EHADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Br ZINC000313764642 1017540469 /nfs/dbraw/zinc/54/04/69/1017540469.db2.gz DRKHFJNSKKBMKN-XYPWUTKMSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000313764642 1017540481 /nfs/dbraw/zinc/54/04/81/1017540481.db2.gz DRKHFJNSKKBMKN-XYPWUTKMSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000313764642 1017540489 /nfs/dbraw/zinc/54/04/89/1017540489.db2.gz DRKHFJNSKKBMKN-XYPWUTKMSA-N 2 1 337.305 3.815 20 0 EHADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000415096031 1017543523 /nfs/dbraw/zinc/54/35/23/1017543523.db2.gz ANXCUOSWJLYGBR-SJLPKXTDSA-N 2 1 329.513 3.892 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000655756150 1017547812 /nfs/dbraw/zinc/54/78/12/1017547812.db2.gz PFZWRCGSSMHWMN-YOEHRIQHSA-N 2 1 345.512 3.590 20 0 EHADMP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415112983 1017568421 /nfs/dbraw/zinc/56/84/21/1017568421.db2.gz SBGFHZOIDVTWAD-YADHBBJMSA-N 2 1 346.478 3.514 20 0 EHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000415119326 1017574739 /nfs/dbraw/zinc/57/47/39/1017574739.db2.gz FHZIXNKBOQGJRG-RDJZCZTQSA-N 2 1 343.298 3.712 20 0 EHADMP CCCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000340419129 1017692434 /nfs/dbraw/zinc/69/24/34/1017692434.db2.gz WSFGZMMTUIYXBP-ROUUACIJSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000340419129 1017692443 /nfs/dbraw/zinc/69/24/43/1017692443.db2.gz WSFGZMMTUIYXBP-ROUUACIJSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000340419129 1017692453 /nfs/dbraw/zinc/69/24/53/1017692453.db2.gz WSFGZMMTUIYXBP-ROUUACIJSA-N 2 1 332.488 3.591 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655848514 1017764599 /nfs/dbraw/zinc/76/45/99/1017764599.db2.gz HDMJRABWJOPENE-ZLGUVYLKSA-N 2 1 338.499 3.848 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000655850888 1017776906 /nfs/dbraw/zinc/77/69/06/1017776906.db2.gz ZPDDMCYQZSEYRP-BVOGOJNSSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137747988 1017904099 /nfs/dbraw/zinc/90/40/99/1017904099.db2.gz BKWQLJLDIFWRED-IBGZPJMESA-N 2 1 345.531 3.604 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137747988 1017904105 /nfs/dbraw/zinc/90/41/05/1017904105.db2.gz BKWQLJLDIFWRED-IBGZPJMESA-N 2 1 345.531 3.604 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137747988 1017904113 /nfs/dbraw/zinc/90/41/13/1017904113.db2.gz BKWQLJLDIFWRED-IBGZPJMESA-N 2 1 345.531 3.604 20 0 EHADMP CN(C)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000340508698 1018183027 /nfs/dbraw/zinc/18/30/27/1018183027.db2.gz ZABSAAOPTULUIX-UHFFFAOYSA-N 2 1 329.532 3.504 20 0 EHADMP CCCN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001167331849 1018202436 /nfs/dbraw/zinc/20/24/36/1018202436.db2.gz BIAIOASEZLTZPV-FCHUYYIVSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167331849 1018202442 /nfs/dbraw/zinc/20/24/42/1018202442.db2.gz BIAIOASEZLTZPV-FCHUYYIVSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001167331849 1018202446 /nfs/dbraw/zinc/20/24/46/1018202446.db2.gz BIAIOASEZLTZPV-FCHUYYIVSA-N 2 1 343.559 3.847 20 0 EHADMP Cc1ccc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)s2)o1 ZINC000092043625 1032756332 /nfs/dbraw/zinc/75/63/32/1032756332.db2.gz OBDFWAMTNZMLQH-GDBMZVCRSA-N 2 1 331.485 3.628 20 0 EHADMP Cc1ccc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)s2)o1 ZINC000092043625 1032756346 /nfs/dbraw/zinc/75/63/46/1032756346.db2.gz OBDFWAMTNZMLQH-GDBMZVCRSA-N 2 1 331.485 3.628 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)s2)o1 ZINC000092043625 1032756362 /nfs/dbraw/zinc/75/63/62/1032756362.db2.gz OBDFWAMTNZMLQH-GDBMZVCRSA-N 2 1 331.485 3.628 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)s2)o1 ZINC000092043625 1032756375 /nfs/dbraw/zinc/75/63/75/1032756375.db2.gz OBDFWAMTNZMLQH-GDBMZVCRSA-N 2 1 331.485 3.628 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000289379035 1018354214 /nfs/dbraw/zinc/35/42/14/1018354214.db2.gz CDEPMZRTDDHLAC-HRAATJIYSA-N 2 1 335.451 3.955 20 0 EHADMP COc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000562901775 1032760395 /nfs/dbraw/zinc/76/03/95/1032760395.db2.gz QNRFLWPBMPBGTG-GHTZIAJQSA-N 2 1 338.495 3.738 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000052210046 1018869160 /nfs/dbraw/zinc/86/91/60/1018869160.db2.gz MCMYFIHLZZXHHN-UHFFFAOYSA-N 2 1 349.494 3.598 20 0 EHADMP c1sc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1C1CCCCC1 ZINC000246474070 1018895640 /nfs/dbraw/zinc/89/56/40/1018895640.db2.gz QSGWSDZFVNFZMF-IRXDYDNUSA-N 2 1 333.545 3.950 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCC(C)C ZINC000576436579 1018992229 /nfs/dbraw/zinc/99/22/29/1018992229.db2.gz XNFSWMCTVKCHHQ-RBUKOAKNSA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OCC(C)C ZINC000576436579 1018992234 /nfs/dbraw/zinc/99/22/34/1018992234.db2.gz XNFSWMCTVKCHHQ-RBUKOAKNSA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OCC(C)C ZINC000576436579 1018992242 /nfs/dbraw/zinc/99/22/42/1018992242.db2.gz XNFSWMCTVKCHHQ-RBUKOAKNSA-N 2 1 346.515 3.646 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000513507564 1019752457 /nfs/dbraw/zinc/75/24/57/1019752457.db2.gz VBSLMBKWKHOTOD-MJGOQNOKSA-N 2 1 348.494 3.953 20 0 EHADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000513587866 1019847385 /nfs/dbraw/zinc/84/73/85/1019847385.db2.gz BXIVLTBHLZMTMJ-WIRSXHRWSA-N 2 1 330.516 3.964 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000513656889 1019911291 /nfs/dbraw/zinc/91/12/91/1019911291.db2.gz YSJOXYBXUOGAPW-OKZBNKHCSA-N 2 1 349.906 3.521 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513659091 1019911977 /nfs/dbraw/zinc/91/19/77/1019911977.db2.gz AWUNOPZICGDVOR-ZACQAIPSSA-N 2 1 337.305 3.720 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345320536 1020167926 /nfs/dbraw/zinc/16/79/26/1020167926.db2.gz ZBYXPFLOGHYLCT-FQEVSTJZSA-N 2 1 349.950 3.798 20 0 EHADMP CCO[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000625447457 1020456327 /nfs/dbraw/zinc/45/63/27/1020456327.db2.gz RQAPURZOKDVYCU-OAQYLSRUSA-N 2 1 342.527 3.790 20 0 EHADMP CC(C)[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000548156419 1020562382 /nfs/dbraw/zinc/56/23/82/1020562382.db2.gz HSSASRSGHTXLOB-BVSLBCMMSA-N 2 1 343.559 3.607 20 0 EHADMP Cc1cccc(OCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501043489 1020663290 /nfs/dbraw/zinc/66/32/90/1020663290.db2.gz FPEMWGQJBADRFC-UHFFFAOYSA-N 2 1 339.483 3.617 20 0 EHADMP C[C@](C[NH3+])([NH2+]Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC1 ZINC000430597277 1020875317 /nfs/dbraw/zinc/87/53/17/1020875317.db2.gz ZQOFQTRWWSISKV-HXUWFJFHSA-N 2 1 328.431 3.622 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430612203 1021102117 /nfs/dbraw/zinc/10/21/17/1021102117.db2.gz RERHDCUHNMTBQJ-QGZVFWFLSA-N 2 1 326.440 3.528 20 0 EHADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507459430 1021276022 /nfs/dbraw/zinc/27/60/22/1021276022.db2.gz FYWIGCOPASSCSH-FDFHNCONSA-N 2 1 349.522 3.753 20 0 EHADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507459432 1021276247 /nfs/dbraw/zinc/27/62/47/1021276247.db2.gz FYWIGCOPASSCSH-YPAWHYETSA-N 2 1 349.522 3.753 20 0 EHADMP COc1ccc2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656783680 1021321097 /nfs/dbraw/zinc/32/10/97/1021321097.db2.gz UCENLIDLPPKGJY-HNNXBMFYSA-N 2 1 345.512 3.517 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cs1 ZINC000164464232 1021387318 /nfs/dbraw/zinc/38/73/18/1021387318.db2.gz SFIDJJLXVXTNGB-TZMCWYRMSA-N 2 1 335.542 3.795 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cc1O ZINC000426403679 1021485158 /nfs/dbraw/zinc/48/51/58/1021485158.db2.gz WTXBUHAZLBGAAE-MRXNPFEDSA-N 2 1 334.504 3.576 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638831990 1021510473 /nfs/dbraw/zinc/51/04/73/1021510473.db2.gz CMJPUFFSIIYJNZ-UYAOXDASSA-N 2 1 330.516 3.743 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638831990 1021510489 /nfs/dbraw/zinc/51/04/89/1021510489.db2.gz CMJPUFFSIIYJNZ-UYAOXDASSA-N 2 1 330.516 3.743 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000187992120 1021555184 /nfs/dbraw/zinc/55/51/84/1021555184.db2.gz OXBKZDWMZAFWGE-LRDDRELGSA-N 2 1 344.396 3.948 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](CNCc3nc4c(s3)CCCC4)C2)cc1 ZINC000684409278 1021657774 /nfs/dbraw/zinc/65/77/74/1021657774.db2.gz MWFJFAVBRXULHH-QGZVFWFLSA-N 2 1 341.524 3.634 20 0 EHADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439911380 1021822114 /nfs/dbraw/zinc/82/21/14/1021822114.db2.gz SGTCDWMXIGSSSN-HXUWFJFHSA-N 2 1 341.499 3.628 20 0 EHADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000607143480 1033010164 /nfs/dbraw/zinc/01/01/64/1033010164.db2.gz PASUHTUJBXFRTG-KBPBESRZSA-N 2 1 347.409 3.605 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152443 1022018499 /nfs/dbraw/zinc/01/84/99/1022018499.db2.gz HOIBQPYQSGQNPA-VQIMIIECSA-N 2 1 332.488 3.556 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152443 1022018516 /nfs/dbraw/zinc/01/85/16/1022018516.db2.gz HOIBQPYQSGQNPA-VQIMIIECSA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152443 1022018534 /nfs/dbraw/zinc/01/85/34/1022018534.db2.gz HOIBQPYQSGQNPA-VQIMIIECSA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152443 1022018548 /nfs/dbraw/zinc/01/85/48/1022018548.db2.gz HOIBQPYQSGQNPA-VQIMIIECSA-N 2 1 332.488 3.556 20 0 EHADMP c1nc(-c2ccncc2)sc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000440331060 1022096914 /nfs/dbraw/zinc/09/69/14/1022096914.db2.gz XCSAOIIPMILECV-UHFFFAOYSA-N 2 1 342.512 3.702 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](c2ccccc2)C1 ZINC000441382777 1022184342 /nfs/dbraw/zinc/18/43/42/1022184342.db2.gz LGIBSZAVMXWUFD-CEWLAPEOSA-N 2 1 343.559 3.574 20 0 EHADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000388761897 1022207649 /nfs/dbraw/zinc/20/76/49/1022207649.db2.gz NTAVXNRDYXMYKY-HLRQEUIKSA-N 2 1 348.490 3.880 20 0 EHADMP CCc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409766 1022220511 /nfs/dbraw/zinc/22/05/11/1022220511.db2.gz JVSNPCYPKQFSIX-WIYYLYMNSA-N 2 1 328.500 3.577 20 0 EHADMP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000471795857 1022245741 /nfs/dbraw/zinc/24/57/41/1022245741.db2.gz BKNSTDXEUBPBMG-PWRODBHTSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000473912197 1022270569 /nfs/dbraw/zinc/27/05/69/1022270569.db2.gz NBWRXDPSXJMFBH-GMQQQROESA-N 2 1 342.527 3.754 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167973184 1022485976 /nfs/dbraw/zinc/48/59/76/1022485976.db2.gz IUSMFAORJRESOG-AFQACZAZSA-N 3 1 333.564 3.634 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000341614767 1022567119 /nfs/dbraw/zinc/56/71/19/1022567119.db2.gz LLEAWPWQPJSTEW-UHFFFAOYSA-N 2 1 332.517 3.635 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000517766743 1022647088 /nfs/dbraw/zinc/64/70/88/1022647088.db2.gz YOKPKXPFQFPFQY-SNPRPXQTSA-N 2 1 343.298 3.835 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414930341 1022666515 /nfs/dbraw/zinc/66/65/15/1022666515.db2.gz ANCIFVVIHSJBJS-QFBILLFUSA-N 2 1 340.515 3.566 20 0 EHADMP CCc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471863121 1022691985 /nfs/dbraw/zinc/69/19/85/1022691985.db2.gz UUDGOJPRCVXOHA-GHTZIAJQSA-N 2 1 341.499 3.718 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1)CC(F)(F)F ZINC001280267766 1022726124 /nfs/dbraw/zinc/72/61/24/1022726124.db2.gz AWGXPDHQWTUTFN-NVXWUHKLSA-N 2 1 348.453 3.684 20 0 EHADMP C[C@@H](CN1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267766 1022726138 /nfs/dbraw/zinc/72/61/38/1022726138.db2.gz AWGXPDHQWTUTFN-NVXWUHKLSA-N 2 1 348.453 3.684 20 0 EHADMP C[C@@H](CN1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267766 1022726150 /nfs/dbraw/zinc/72/61/50/1022726150.db2.gz AWGXPDHQWTUTFN-NVXWUHKLSA-N 2 1 348.453 3.684 20 0 EHADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639357 1022749904 /nfs/dbraw/zinc/74/99/04/1022749904.db2.gz OWROAHPUOSIGSI-IRXDYDNUSA-N 2 1 344.421 3.593 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894777869 1022893321 /nfs/dbraw/zinc/89/33/21/1022893321.db2.gz ULQJPPWPOCWQMH-UHFFFAOYSA-N 2 1 334.876 3.977 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894777869 1022893333 /nfs/dbraw/zinc/89/33/33/1022893333.db2.gz ULQJPPWPOCWQMH-UHFFFAOYSA-N 2 1 334.876 3.977 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782996 1022906285 /nfs/dbraw/zinc/90/62/85/1022906285.db2.gz OTMGLNSUKMFCFC-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782996 1022906292 /nfs/dbraw/zinc/90/62/92/1022906292.db2.gz OTMGLNSUKMFCFC-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782996 1022906304 /nfs/dbraw/zinc/90/63/04/1022906304.db2.gz OTMGLNSUKMFCFC-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782996 1022906311 /nfs/dbraw/zinc/90/63/11/1022906311.db2.gz OTMGLNSUKMFCFC-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782996 1022906324 /nfs/dbraw/zinc/90/63/24/1022906324.db2.gz OTMGLNSUKMFCFC-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000506879130 1022968089 /nfs/dbraw/zinc/96/80/89/1022968089.db2.gz BMIPKVYUHSRYHP-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430961823 1022979945 /nfs/dbraw/zinc/97/99/45/1022979945.db2.gz OZYBPOZXXVIIDJ-HUUCEWRRSA-N 2 1 344.421 3.924 20 0 EHADMP C[N@@H+](CCOc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000607358517 1033105430 /nfs/dbraw/zinc/10/54/30/1033105430.db2.gz XLNIBAQWEJRBHI-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1ccc(Cl)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000607358517 1033105439 /nfs/dbraw/zinc/10/54/39/1033105439.db2.gz XLNIBAQWEJRBHI-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1ccc(Cl)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358517 1033105444 /nfs/dbraw/zinc/10/54/44/1033105444.db2.gz XLNIBAQWEJRBHI-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294941800 1023133383 /nfs/dbraw/zinc/13/33/83/1023133383.db2.gz GXMCZSRRRXJYOM-WWTUQBGBSA-N 2 1 326.406 3.851 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000090586528 1023135488 /nfs/dbraw/zinc/13/54/88/1023135488.db2.gz OOYXXYYIINHLIJ-LJQANCHMSA-N 2 1 329.532 3.613 20 0 EHADMP CC(C)COc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000510840703 1023260982 /nfs/dbraw/zinc/26/09/82/1023260982.db2.gz DRZZOSDTJJNDAW-KDURUIRLSA-N 2 1 348.531 3.700 20 0 EHADMP COc1ccccc1OCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506480760 1023264308 /nfs/dbraw/zinc/26/43/08/1023264308.db2.gz MSBJZILQIPHFMZ-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480760 1023264314 /nfs/dbraw/zinc/26/43/14/1023264314.db2.gz MSBJZILQIPHFMZ-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480760 1023264318 /nfs/dbraw/zinc/26/43/18/1023264318.db2.gz MSBJZILQIPHFMZ-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506480760 1023264327 /nfs/dbraw/zinc/26/43/27/1023264327.db2.gz MSBJZILQIPHFMZ-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506480760 1023264336 /nfs/dbraw/zinc/26/43/36/1023264336.db2.gz MSBJZILQIPHFMZ-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP CC[C@@H](C)C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091709449 1023299315 /nfs/dbraw/zinc/29/93/15/1023299315.db2.gz VXXDCXUCVCLTCF-OAHLLOKOSA-N 2 1 333.520 3.649 20 0 EHADMP CC[C@@H](C)C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091709449 1023299320 /nfs/dbraw/zinc/29/93/20/1023299320.db2.gz VXXDCXUCVCLTCF-OAHLLOKOSA-N 2 1 333.520 3.649 20 0 EHADMP CC(C)[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000092560775 1023451608 /nfs/dbraw/zinc/45/16/08/1023451608.db2.gz VURIENAKSGWMQK-ABHNRTSZSA-N 2 1 338.536 3.597 20 0 EHADMP COCC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960213 1023535960 /nfs/dbraw/zinc/53/59/60/1023535960.db2.gz QRCPGTNBUNGTLF-RLLQIKCJSA-N 2 1 332.532 3.938 20 0 EHADMP COc1ccc(CCC2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000535668600 1023553241 /nfs/dbraw/zinc/55/32/41/1023553241.db2.gz RCUKWRJZNKSQEO-UHFFFAOYSA-N 2 1 341.499 3.935 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CCCC2)[C@H](C)C1 ZINC000469232892 1023967570 /nfs/dbraw/zinc/96/75/70/1023967570.db2.gz HBBKCMVBUKUXBO-MJGOQNOKSA-N 2 1 330.516 3.827 20 0 EHADMP CC1(C)OCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168002171 1024038134 /nfs/dbraw/zinc/03/81/34/1024038134.db2.gz OVAUOMOBZFISBS-DFNIBXOVSA-N 2 1 332.532 3.673 20 0 EHADMP CC1(C)OCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168002171 1024038149 /nfs/dbraw/zinc/03/81/49/1024038149.db2.gz OVAUOMOBZFISBS-DFNIBXOVSA-N 2 1 332.532 3.673 20 0 EHADMP CC[C@@H](C)C[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000647337135 1033183719 /nfs/dbraw/zinc/18/37/19/1033183719.db2.gz LIECGGUOXHRKQH-MAKTXDPSSA-N 2 1 332.532 3.816 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000514089678 1024124145 /nfs/dbraw/zinc/12/41/45/1024124145.db2.gz QWAGWLFWMXGWGR-SJORKVTESA-N 2 1 348.531 3.797 20 0 EHADMP CO[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000514115728 1024148624 /nfs/dbraw/zinc/14/86/24/1024148624.db2.gz VBEWNWHHZINCNW-PWIZWCRZSA-N 2 1 348.918 3.976 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000475036771 1024180044 /nfs/dbraw/zinc/18/00/44/1024180044.db2.gz ZUPIKZHDAGTQQJ-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475036771 1024180053 /nfs/dbraw/zinc/18/00/53/1024180053.db2.gz ZUPIKZHDAGTQQJ-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475036771 1024180061 /nfs/dbraw/zinc/18/00/61/1024180061.db2.gz ZUPIKZHDAGTQQJ-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036771 1024180069 /nfs/dbraw/zinc/18/00/69/1024180069.db2.gz ZUPIKZHDAGTQQJ-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036771 1024180072 /nfs/dbraw/zinc/18/00/72/1024180072.db2.gz ZUPIKZHDAGTQQJ-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1C1CCCCC1 ZINC001168004962 1024281650 /nfs/dbraw/zinc/28/16/50/1024281650.db2.gz CRCBXDAGNHSZJW-HNYYDBCASA-N 2 1 345.575 3.731 20 0 EHADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1C1CCCCC1 ZINC001168004962 1024281661 /nfs/dbraw/zinc/28/16/61/1024281661.db2.gz CRCBXDAGNHSZJW-HNYYDBCASA-N 2 1 345.575 3.731 20 0 EHADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1C1CCCCC1 ZINC001168004962 1024281680 /nfs/dbraw/zinc/28/16/80/1024281680.db2.gz CRCBXDAGNHSZJW-HNYYDBCASA-N 2 1 345.575 3.731 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000281134140 1024298057 /nfs/dbraw/zinc/29/80/57/1024298057.db2.gz FGSHNQWEZQJUES-CYBMUJFWSA-N 2 1 326.406 3.853 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427610853 1024309163 /nfs/dbraw/zinc/30/91/63/1024309163.db2.gz CZOPTLGJTTXWCH-HNNXBMFYSA-N 2 1 329.410 3.798 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427610853 1024309176 /nfs/dbraw/zinc/30/91/76/1024309176.db2.gz CZOPTLGJTTXWCH-HNNXBMFYSA-N 2 1 329.410 3.798 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427610853 1024309191 /nfs/dbraw/zinc/30/91/91/1024309191.db2.gz CZOPTLGJTTXWCH-HNNXBMFYSA-N 2 1 329.410 3.798 20 0 EHADMP Cc1c(F)cccc1-c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000430120577 1024370035 /nfs/dbraw/zinc/37/00/35/1024370035.db2.gz FNHOHCSIISKMDQ-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430120577 1024370051 /nfs/dbraw/zinc/37/00/51/1024370051.db2.gz FNHOHCSIISKMDQ-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000430120577 1024370068 /nfs/dbraw/zinc/37/00/68/1024370068.db2.gz FNHOHCSIISKMDQ-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000430120577 1024370085 /nfs/dbraw/zinc/37/00/85/1024370085.db2.gz FNHOHCSIISKMDQ-FQEVSTJZSA-N 2 1 328.431 3.922 20 0 EHADMP CC(C)n1cncc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025233 1024374094 /nfs/dbraw/zinc/37/40/94/1024374094.db2.gz BXEJTLBJXWIWIZ-OPVJXMOQSA-N 2 1 340.515 3.995 20 0 EHADMP CC(C)n1cncc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025233 1024374109 /nfs/dbraw/zinc/37/41/09/1024374109.db2.gz BXEJTLBJXWIWIZ-OPVJXMOQSA-N 2 1 340.515 3.995 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000346144105 1024443695 /nfs/dbraw/zinc/44/36/95/1024443695.db2.gz BPWOHAOVOKRTQZ-UWJYYQICSA-N 2 1 332.451 3.954 20 0 EHADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC000895463537 1024536684 /nfs/dbraw/zinc/53/66/84/1024536684.db2.gz WAIQSECSZWJAHL-BMSWRWNDSA-N 2 1 336.907 3.613 20 0 EHADMP Cc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc2cccnc12 ZINC000346226514 1024540915 /nfs/dbraw/zinc/54/09/15/1024540915.db2.gz XCWSCZOBLOYFRK-UHFFFAOYSA-N 2 1 334.467 3.731 20 0 EHADMP CN1CCC([N@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143429132 1024567726 /nfs/dbraw/zinc/56/77/26/1024567726.db2.gz QNNAOGWDYCZAGW-UHFFFAOYSA-N 2 1 336.785 3.765 20 0 EHADMP CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143429132 1024567737 /nfs/dbraw/zinc/56/77/37/1024567737.db2.gz QNNAOGWDYCZAGW-UHFFFAOYSA-N 2 1 336.785 3.765 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000346302790 1024627849 /nfs/dbraw/zinc/62/78/49/1024627849.db2.gz FTBUEBWUHAMTDK-UHFFFAOYSA-N 2 1 341.455 3.755 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000346302790 1024627858 /nfs/dbraw/zinc/62/78/58/1024627858.db2.gz FTBUEBWUHAMTDK-UHFFFAOYSA-N 2 1 341.455 3.755 20 0 EHADMP COc1cccc(-c2csc(CNC[C@@H]3CCCC[N@@H+](C)C3)n2)c1 ZINC000895587070 1024632578 /nfs/dbraw/zinc/63/25/78/1024632578.db2.gz GYGZQZZOILAGMC-HNNXBMFYSA-N 2 1 345.512 3.640 20 0 EHADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)nc1 ZINC000892098686 1024687302 /nfs/dbraw/zinc/68/73/02/1024687302.db2.gz LVHWDMUSYOCITQ-LJQANCHMSA-N 2 1 337.467 3.792 20 0 EHADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)nc1 ZINC000892098686 1024687311 /nfs/dbraw/zinc/68/73/11/1024687311.db2.gz LVHWDMUSYOCITQ-LJQANCHMSA-N 2 1 337.467 3.792 20 0 EHADMP C[C@@H]1CC(NC2C[NH+](C(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032122 1024701207 /nfs/dbraw/zinc/70/12/07/1024701207.db2.gz FHLBBGIRIZUIDX-IAGOWNOFSA-N 2 1 329.532 3.500 20 0 EHADMP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C)c1 ZINC001167958482 1024715274 /nfs/dbraw/zinc/71/52/74/1024715274.db2.gz FTLCQNMNCVJVLD-XDNSSPFJSA-N 2 1 341.543 3.816 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC4(COC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000895693758 1024728944 /nfs/dbraw/zinc/72/89/44/1024728944.db2.gz BTLBJUDNTSDSDR-PZJWPPBQSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC4(COC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000895693758 1024728952 /nfs/dbraw/zinc/72/89/52/1024728952.db2.gz BTLBJUDNTSDSDR-PZJWPPBQSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC4(COC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000895693756 1024730091 /nfs/dbraw/zinc/73/00/91/1024730091.db2.gz BTLBJUDNTSDSDR-CTNGQTDRSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC4(COC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000895693756 1024730104 /nfs/dbraw/zinc/73/01/04/1024730104.db2.gz BTLBJUDNTSDSDR-CTNGQTDRSA-N 2 1 340.511 3.903 20 0 EHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc([C@H]2CCCO2)s1 ZINC000895682509 1024731616 /nfs/dbraw/zinc/73/16/16/1024731616.db2.gz GFIXMSBELBOOGL-QGZVFWFLSA-N 2 1 337.533 3.693 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc([C@H]2CCCO2)s1 ZINC000895682509 1024731629 /nfs/dbraw/zinc/73/16/29/1024731629.db2.gz GFIXMSBELBOOGL-QGZVFWFLSA-N 2 1 337.533 3.693 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCCC1 ZINC000665249149 1024863254 /nfs/dbraw/zinc/86/32/54/1024863254.db2.gz KFMPMHJFQMFWGG-CQSZACIVSA-N 2 1 339.277 3.524 20 0 EHADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435428074 1024916458 /nfs/dbraw/zinc/91/64/58/1024916458.db2.gz PYBQUHRIQMHIPI-UHOSZYNNSA-N 2 1 348.556 3.897 20 0 EHADMP Cn1cncc1CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000119625843 1025085677 /nfs/dbraw/zinc/08/56/77/1025085677.db2.gz SCHKPEHMMMAJEP-UHFFFAOYSA-N 2 1 348.494 3.554 20 0 EHADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000897964325 1033261185 /nfs/dbraw/zinc/26/11/85/1033261185.db2.gz CDKJPYFKUBKAAE-MVWVFHAYSA-N 2 1 335.495 3.655 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000522708568 1025160818 /nfs/dbraw/zinc/16/08/18/1025160818.db2.gz DHJWBMWFLFDPDQ-AZUAARDMSA-N 2 1 337.511 3.613 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657324629 1025181219 /nfs/dbraw/zinc/18/12/19/1025181219.db2.gz FPLQEMPWYWKGCJ-KRWDZBQOSA-N 2 1 343.446 3.835 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657324629 1025181225 /nfs/dbraw/zinc/18/12/25/1025181225.db2.gz FPLQEMPWYWKGCJ-KRWDZBQOSA-N 2 1 343.446 3.835 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)CCC(C)C)C2)s1 ZINC000521052426 1025182132 /nfs/dbraw/zinc/18/21/32/1025182132.db2.gz WAHVWSBPSKJFGS-QZTJIDSGSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)CCC(C)C)C2)s1 ZINC000521052426 1025182140 /nfs/dbraw/zinc/18/21/40/1025182140.db2.gz WAHVWSBPSKJFGS-QZTJIDSGSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)CCC(C)C)C2)s1 ZINC000521052426 1025182142 /nfs/dbraw/zinc/18/21/42/1025182142.db2.gz WAHVWSBPSKJFGS-QZTJIDSGSA-N 2 1 338.561 3.607 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267929 1025306673 /nfs/dbraw/zinc/30/66/73/1025306673.db2.gz NSJONCCSTBLENS-FKBYEOEOSA-N 2 1 338.495 3.669 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267929 1025306677 /nfs/dbraw/zinc/30/66/77/1025306677.db2.gz NSJONCCSTBLENS-FKBYEOEOSA-N 2 1 338.495 3.669 20 0 EHADMP CC(C)O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000428252156 1025335692 /nfs/dbraw/zinc/33/56/92/1025335692.db2.gz FNXVWPISIFCXCC-TZIWHRDSSA-N 2 1 330.516 3.961 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000453326067 1025349656 /nfs/dbraw/zinc/34/96/56/1025349656.db2.gz XSFMNFSJSVMKOS-PBASOCQRSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000453326067 1025349666 /nfs/dbraw/zinc/34/96/66/1025349666.db2.gz XSFMNFSJSVMKOS-PBASOCQRSA-N 2 1 330.516 3.863 20 0 EHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000474706899 1025365764 /nfs/dbraw/zinc/36/57/64/1025365764.db2.gz INZSODUEKNGBPC-BLNMYQONSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1CC([N@@H+](C)CCc2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041215 1025379876 /nfs/dbraw/zinc/37/98/76/1025379876.db2.gz QZJWRLDDPDYSNC-RTBURBONSA-N 2 1 337.511 3.998 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012366 1025409110 /nfs/dbraw/zinc/40/91/10/1025409110.db2.gz HLYVQWOKBAQXDE-AEFFLSMTSA-N 2 1 334.467 3.585 20 0 EHADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442721374 1025453725 /nfs/dbraw/zinc/45/37/25/1025453725.db2.gz UBQFAARVTQGAJR-KKSFZXQISA-N 2 1 325.500 3.735 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000347059468 1025456057 /nfs/dbraw/zinc/45/60/57/1025456057.db2.gz XDDCSJPICHNXKV-SJLPKXTDSA-N 2 1 325.456 3.742 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCOC4CCC4)C3)C2)cc1 ZINC000347071785 1025465122 /nfs/dbraw/zinc/46/51/22/1025465122.db2.gz IOMMHZSZACQYAN-NRFANRHFSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000347071785 1025465131 /nfs/dbraw/zinc/46/51/31/1025465131.db2.gz IOMMHZSZACQYAN-NRFANRHFSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000347071785 1025465137 /nfs/dbraw/zinc/46/51/37/1025465137.db2.gz IOMMHZSZACQYAN-NRFANRHFSA-N 2 1 328.500 3.544 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000442782042 1025473739 /nfs/dbraw/zinc/47/37/39/1025473739.db2.gz QKYGMERAAMVSJM-SFHVURJKSA-N 2 1 333.479 3.877 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000474804466 1025503406 /nfs/dbraw/zinc/50/34/06/1025503406.db2.gz OYAOPPMQTQNOTD-DWRORGKVSA-N 2 1 336.545 3.926 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000474804466 1025503417 /nfs/dbraw/zinc/50/34/17/1025503417.db2.gz OYAOPPMQTQNOTD-DWRORGKVSA-N 2 1 336.545 3.926 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474803835 1025503669 /nfs/dbraw/zinc/50/36/69/1025503669.db2.gz HVMQSRCWLFYBDP-PMXSJFBMSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474803835 1025503677 /nfs/dbraw/zinc/50/36/77/1025503677.db2.gz HVMQSRCWLFYBDP-PMXSJFBMSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000521632821 1025533549 /nfs/dbraw/zinc/53/35/49/1025533549.db2.gz WWGIZKSNCVPORF-LSDHHAIUSA-N 2 1 331.485 3.533 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000436269122 1025539114 /nfs/dbraw/zinc/53/91/14/1025539114.db2.gz JKNMPTKEUJHVIN-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1(C)C ZINC000442873402 1025547660 /nfs/dbraw/zinc/54/76/60/1025547660.db2.gz KPMSZPLQTIVQSC-NRFANRHFSA-N 2 1 343.559 3.924 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000436293294 1025555937 /nfs/dbraw/zinc/55/59/37/1025555937.db2.gz DMUOJEMLKPHLED-NTLWEQJWSA-N 2 1 348.506 3.798 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000436293290 1025556341 /nfs/dbraw/zinc/55/63/41/1025556341.db2.gz DMUOJEMLKPHLED-IKVWTGGYSA-N 2 1 348.506 3.798 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000474039323 1025568494 /nfs/dbraw/zinc/56/84/94/1025568494.db2.gz STZULFNUJLKZGY-NUJGCVRESA-N 2 1 346.506 3.927 20 0 EHADMP C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436313651 1025574926 /nfs/dbraw/zinc/57/49/26/1025574926.db2.gz XFOOQXDQCHLPJK-FYZZASKESA-N 2 1 334.548 3.968 20 0 EHADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC000892224313 1025602040 /nfs/dbraw/zinc/60/20/40/1025602040.db2.gz TVAODPDSUHJLIM-HXUWFJFHSA-N 2 1 344.524 3.626 20 0 EHADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657382364 1025734725 /nfs/dbraw/zinc/73/47/25/1025734725.db2.gz CWNNZXOVMQVDMZ-UHFFFAOYSA-N 2 1 330.520 3.574 20 0 EHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC2(CCCC2)O1 ZINC000530411875 1025784342 /nfs/dbraw/zinc/78/43/42/1025784342.db2.gz YYIKINDOQVGNOK-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC2(CCCC2)O1 ZINC000530411875 1025784356 /nfs/dbraw/zinc/78/43/56/1025784356.db2.gz YYIKINDOQVGNOK-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC2(CCCC2)O1 ZINC000530411875 1025784374 /nfs/dbraw/zinc/78/43/74/1025784374.db2.gz YYIKINDOQVGNOK-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000544352130 1025850357 /nfs/dbraw/zinc/85/03/57/1025850357.db2.gz YZLVAFCVYPQZTQ-UHFFFAOYSA-N 2 1 346.544 3.878 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000522039048 1025905337 /nfs/dbraw/zinc/90/53/37/1025905337.db2.gz CKBCHQOKMKDWNH-GOSISDBHSA-N 2 1 349.538 3.543 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000611587839 1025932066 /nfs/dbraw/zinc/93/20/66/1025932066.db2.gz WZDZZPYKDVWNJS-LTFPLMDUSA-N 2 1 330.541 3.771 20 0 EHADMP CCCO[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168053088 1026008702 /nfs/dbraw/zinc/00/87/02/1026008702.db2.gz MOTGWBDCYPQKRC-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CCCO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168053088 1026008720 /nfs/dbraw/zinc/00/87/20/1026008720.db2.gz MOTGWBDCYPQKRC-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CCCO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168053088 1026008737 /nfs/dbraw/zinc/00/87/37/1026008737.db2.gz MOTGWBDCYPQKRC-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000563351941 1026203891 /nfs/dbraw/zinc/20/38/91/1026203891.db2.gz CQIMHZNOZQLMBW-UXHICEINSA-N 2 1 327.472 3.641 20 0 EHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168057904 1026314858 /nfs/dbraw/zinc/31/48/58/1026314858.db2.gz OIAHJWQGQIFRED-SFHLNBCPSA-N 2 1 343.559 3.843 20 0 EHADMP Clc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655709221 1026315317 /nfs/dbraw/zinc/31/53/17/1026315317.db2.gz ZLHPNDNVNGOCGM-LJQANCHMSA-N 2 1 348.918 3.605 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(Br)c2)C[C@H]1C ZINC000530901528 1026385681 /nfs/dbraw/zinc/38/56/81/1026385681.db2.gz KKTLUUMXYQTPFZ-CZUORRHYSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2)C[C@H]1C ZINC000530901528 1026385687 /nfs/dbraw/zinc/38/56/87/1026385687.db2.gz KKTLUUMXYQTPFZ-CZUORRHYSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2)C[C@H]1C ZINC000530901528 1026385692 /nfs/dbraw/zinc/38/56/92/1026385692.db2.gz KKTLUUMXYQTPFZ-CZUORRHYSA-N 2 1 325.294 3.754 20 0 EHADMP CC(=O)[C@H]1CCCCN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059794 1026401612 /nfs/dbraw/zinc/40/16/12/1026401612.db2.gz HFYRHORMUWKGMK-HRQSHJORSA-N 2 1 328.500 3.872 20 0 EHADMP CC(=O)[C@H]1CCCCN1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059794 1026401619 /nfs/dbraw/zinc/40/16/19/1026401619.db2.gz HFYRHORMUWKGMK-HRQSHJORSA-N 2 1 328.500 3.872 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4noc5ccccc45)[C@H]3C2)cc1 ZINC000582556687 1026582347 /nfs/dbraw/zinc/58/23/47/1026582347.db2.gz MZSZJAYWYAZRMJ-YSIASYRMSA-N 2 1 347.462 3.828 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4noc5ccccc45)[C@H]3C2)cc1 ZINC000582556687 1026582352 /nfs/dbraw/zinc/58/23/52/1026582352.db2.gz MZSZJAYWYAZRMJ-YSIASYRMSA-N 2 1 347.462 3.828 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000342678427 1026690831 /nfs/dbraw/zinc/69/08/31/1026690831.db2.gz YODMXOPKVUZTLF-KBPBESRZSA-N 2 1 325.884 3.659 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000342678427 1026690835 /nfs/dbraw/zinc/69/08/35/1026690835.db2.gz YODMXOPKVUZTLF-KBPBESRZSA-N 2 1 325.884 3.659 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122731988 1026710337 /nfs/dbraw/zinc/71/03/37/1026710337.db2.gz IMVCMZKSGYJRIW-KRWDZBQOSA-N 3 1 340.515 3.953 20 0 EHADMP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000301654356 1026889989 /nfs/dbraw/zinc/88/99/89/1026889989.db2.gz HJMIQMMGERNWNF-MRXNPFEDSA-N 2 1 327.472 3.720 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000301654356 1026889993 /nfs/dbraw/zinc/88/99/93/1026889993.db2.gz HJMIQMMGERNWNF-MRXNPFEDSA-N 2 1 327.472 3.720 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301800352 1026943418 /nfs/dbraw/zinc/94/34/18/1026943418.db2.gz VPXNSUFNUOGQFF-LIRRHRJNSA-N 2 1 325.431 3.827 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301800352 1026943432 /nfs/dbraw/zinc/94/34/32/1026943432.db2.gz VPXNSUFNUOGQFF-LIRRHRJNSA-N 2 1 325.431 3.827 20 0 EHADMP Cc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c2ccccc2[nH+]1 ZINC000301869475 1026972595 /nfs/dbraw/zinc/97/25/95/1026972595.db2.gz JLIIXPBVYODHRY-RTBURBONSA-N 2 1 347.462 3.591 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342770167 1026998239 /nfs/dbraw/zinc/99/82/39/1026998239.db2.gz WOZCRLPSEWUGKO-NVXWUHKLSA-N 2 1 330.520 3.517 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000342770167 1026998242 /nfs/dbraw/zinc/99/82/42/1026998242.db2.gz WOZCRLPSEWUGKO-NVXWUHKLSA-N 2 1 330.520 3.517 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001167602827 1027008714 /nfs/dbraw/zinc/00/87/14/1027008714.db2.gz QMNCXQPERHZURT-MRXNPFEDSA-N 2 1 345.314 3.926 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001167602827 1027008723 /nfs/dbraw/zinc/00/87/23/1027008723.db2.gz QMNCXQPERHZURT-MRXNPFEDSA-N 2 1 345.314 3.926 20 0 EHADMP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126658607 1027226371 /nfs/dbraw/zinc/22/63/71/1027226371.db2.gz CTHGSEFOCXLYAY-QHCPKHFHSA-N 2 1 349.522 3.520 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000453071572 1027288443 /nfs/dbraw/zinc/28/84/43/1027288443.db2.gz CTWUEHGUWNNVQZ-IBGZPJMESA-N 2 1 330.497 3.821 20 0 EHADMP c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453091151 1027350992 /nfs/dbraw/zinc/35/09/92/1027350992.db2.gz QQZNTJDHNBLPFP-CEXWTWQISA-N 2 1 341.524 3.718 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453093316 1027353022 /nfs/dbraw/zinc/35/30/22/1027353022.db2.gz FSJCFIUXDVOAEH-QRVBRYPASA-N 2 1 341.524 3.984 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[N@H+]1C ZINC000453122594 1027400641 /nfs/dbraw/zinc/40/06/41/1027400641.db2.gz QJFVCUUPQFWIRQ-MIUGBVLSSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH+]1C ZINC000453122594 1027400652 /nfs/dbraw/zinc/40/06/52/1027400652.db2.gz QJFVCUUPQFWIRQ-MIUGBVLSSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH+]1C ZINC000453122594 1027400661 /nfs/dbraw/zinc/40/06/61/1027400661.db2.gz QJFVCUUPQFWIRQ-MIUGBVLSSA-N 3 1 341.543 3.502 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453133501 1027434528 /nfs/dbraw/zinc/43/45/28/1027434528.db2.gz WUCWBGCLLILKFW-FSSWDIPSSA-N 2 1 342.527 3.836 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000420290433 1027446645 /nfs/dbraw/zinc/44/66/45/1027446645.db2.gz JATCLVBGZFVLDT-UHFFFAOYSA-N 2 1 337.439 3.520 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307404 1027452623 /nfs/dbraw/zinc/45/26/23/1027452623.db2.gz BQXILOCUPVZCDX-VQIMIIECSA-N 2 1 326.488 3.754 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000420304139 1027453305 /nfs/dbraw/zinc/45/33/05/1027453305.db2.gz KYJYVRGOBKFDOK-XJKSGUPXSA-N 2 1 334.410 3.709 20 0 EHADMP CCC[N@H+](Cc1cncc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000420316203 1027464071 /nfs/dbraw/zinc/46/40/71/1027464071.db2.gz LPEBSZOCDFKVHO-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP CCC[N@@H+](Cc1cncc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000420316203 1027464076 /nfs/dbraw/zinc/46/40/76/1027464076.db2.gz LPEBSZOCDFKVHO-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP c1cc(C[N@H+](CC[C@@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420320737 1027467527 /nfs/dbraw/zinc/46/75/27/1027467527.db2.gz YYPSITKKSWDUEF-ZWKOTPCHSA-N 2 1 334.529 3.651 20 0 EHADMP Fc1ccc(CCCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655755606 1027470953 /nfs/dbraw/zinc/47/09/53/1027470953.db2.gz GJEANYIRWBDIMJ-NRFANRHFSA-N 2 1 348.506 3.772 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCSCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453160513 1027472900 /nfs/dbraw/zinc/47/29/00/1027472900.db2.gz OZCSQXJQCMVZQW-AABGKKOBSA-N 2 1 330.541 3.915 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420378036 1027500934 /nfs/dbraw/zinc/50/09/34/1027500934.db2.gz BAGKYHRNVVZHNN-FXAWDEMLSA-N 2 1 337.467 3.838 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)C1 ZINC000657595268 1027566347 /nfs/dbraw/zinc/56/63/47/1027566347.db2.gz NVNQDSBIZXCGQA-HSZRJFAPSA-N 2 1 346.474 3.696 20 0 EHADMP CC(C)OC1CC([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000459321361 1027584736 /nfs/dbraw/zinc/58/47/36/1027584736.db2.gz GSSOXOPKBHRKAE-UHFFFAOYSA-N 2 1 330.516 3.786 20 0 EHADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639758061 1027684750 /nfs/dbraw/zinc/68/47/50/1027684750.db2.gz PDGRGKXNODQNIM-INIZCTEOSA-N 2 1 340.471 3.524 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)nc1 ZINC000179100071 1027690443 /nfs/dbraw/zinc/69/04/43/1027690443.db2.gz PYEXMVBTILFZLC-HNNXBMFYSA-N 2 1 329.875 3.834 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)nc1 ZINC000179100071 1027690447 /nfs/dbraw/zinc/69/04/47/1027690447.db2.gz PYEXMVBTILFZLC-HNNXBMFYSA-N 2 1 329.875 3.834 20 0 EHADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000513728250 1027701751 /nfs/dbraw/zinc/70/17/51/1027701751.db2.gz GDPRQUUKKMIQPJ-UHFFFAOYSA-N 2 1 325.294 3.531 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000533395663 1027802912 /nfs/dbraw/zinc/80/29/12/1027802912.db2.gz RFMFDTAEMHUJHL-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422705859 1027866105 /nfs/dbraw/zinc/86/61/05/1027866105.db2.gz SKGMVKACMZIUDQ-LEWJYISDSA-N 2 1 335.495 3.558 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422743456 1027909836 /nfs/dbraw/zinc/90/98/36/1027909836.db2.gz RJYRGZWXDSFGLJ-ZQOQTTQJSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422743456 1027909864 /nfs/dbraw/zinc/90/98/64/1027909864.db2.gz RJYRGZWXDSFGLJ-ZQOQTTQJSA-N 2 1 341.543 3.722 20 0 EHADMP Fc1cccc(Cl)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422782819 1027935246 /nfs/dbraw/zinc/93/52/46/1027935246.db2.gz NHILSBQZFWVWHX-MJGOQNOKSA-N 2 1 346.833 3.825 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422784564 1027938502 /nfs/dbraw/zinc/93/85/02/1027938502.db2.gz IUCIMEIVQHPBCH-YPAWHYETSA-N 2 1 341.543 3.683 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)CC[NH2+]1 ZINC000666701968 1027940452 /nfs/dbraw/zinc/94/04/52/1027940452.db2.gz QUASHLYMVNZXNE-KEYYUXOJSA-N 2 1 337.305 3.974 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ccccc21 ZINC000422804717 1027956897 /nfs/dbraw/zinc/95/68/97/1027956897.db2.gz KYXUQCQFMQKFGF-SJORKVTESA-N 2 1 336.357 3.862 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C2(CCC2)C1 ZINC000420998006 1027977886 /nfs/dbraw/zinc/97/78/86/1027977886.db2.gz HOPZYNLDDFLJTM-HXUWFJFHSA-N 2 1 328.500 3.552 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnccc1N ZINC000422858745 1027993437 /nfs/dbraw/zinc/99/34/37/1027993437.db2.gz JCRQCIPQTFWMHA-SJORKVTESA-N 2 1 338.499 3.719 20 0 EHADMP c1ccc(OCc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000459365409 1027993626 /nfs/dbraw/zinc/99/36/26/1027993626.db2.gz BGEMSZFGOYLFKO-UHFFFAOYSA-N 2 1 336.479 3.982 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000422842977 1028004611 /nfs/dbraw/zinc/00/46/11/1028004611.db2.gz ZYVBBHZFYRYUCU-CMOCDZPBSA-N 2 1 343.559 3.970 20 0 EHADMP OCC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000421019925 1028005682 /nfs/dbraw/zinc/00/56/82/1028005682.db2.gz QKOFFVIFZFQIMQ-IBGZPJMESA-N 2 1 330.516 3.657 20 0 EHADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1c[nH+]ccc1N ZINC000422883314 1028015025 /nfs/dbraw/zinc/01/50/25/1028015025.db2.gz QLEANGNFFTVSGR-IRXDYDNUSA-N 2 1 338.499 3.577 20 0 EHADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422888884 1028023594 /nfs/dbraw/zinc/02/35/94/1028023594.db2.gz DVKHKBZUAKTFMS-ZWOKBUDYSA-N 2 1 345.531 3.615 20 0 EHADMP CC(C)c1csc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422892028 1028026245 /nfs/dbraw/zinc/02/62/45/1028026245.db2.gz LUZCRCHZOVYDPL-HNAYVOBHSA-N 2 1 343.496 3.612 20 0 EHADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422901835 1028037552 /nfs/dbraw/zinc/03/75/52/1028037552.db2.gz SJMDGQFBHHDOFR-UGKGYDQZSA-N 2 1 343.559 3.860 20 0 EHADMP c1ccc(-c2ncc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000533536376 1028066618 /nfs/dbraw/zinc/06/66/18/1028066618.db2.gz GOJMGWNOSIZTDI-CTNGQTDRSA-N 2 1 348.494 3.592 20 0 EHADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)c2ccccc21 ZINC000422956193 1028094562 /nfs/dbraw/zinc/09/45/62/1028094562.db2.gz ONFZVSUIUGXCGZ-RBUKOAKNSA-N 2 1 333.435 3.738 20 0 EHADMP C[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000422990466 1028099614 /nfs/dbraw/zinc/09/96/14/1028099614.db2.gz CAQJTGBRYDMHQZ-UWJYYQICSA-N 2 1 341.499 3.532 20 0 EHADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000422969914 1028102950 /nfs/dbraw/zinc/10/29/50/1028102950.db2.gz VDBDXAHFJWJJCS-LZQZEXGQSA-N 2 1 326.415 3.732 20 0 EHADMP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422994582 1028110004 /nfs/dbraw/zinc/11/00/04/1028110004.db2.gz VSIYKFGOLVDLTE-XFIMXVOGSA-N 2 1 342.527 3.634 20 0 EHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000523296964 1028117247 /nfs/dbraw/zinc/11/72/47/1028117247.db2.gz TURHPAJQYJNOBB-XDJHFCHBSA-N 2 1 336.479 3.712 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000237336913 1028152886 /nfs/dbraw/zinc/15/28/86/1028152886.db2.gz VOKAMKNYLWMBFX-UHFFFAOYSA-N 2 1 340.467 3.555 20 0 EHADMP Fc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000134944005 1028159069 /nfs/dbraw/zinc/15/90/69/1028159069.db2.gz ITBXEJISCAYRNP-QRWLVFNGSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000134944005 1028159076 /nfs/dbraw/zinc/15/90/76/1028159076.db2.gz ITBXEJISCAYRNP-QRWLVFNGSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000134944005 1028159122 /nfs/dbraw/zinc/15/91/22/1028159122.db2.gz ITBXEJISCAYRNP-QRWLVFNGSA-N 2 1 339.458 3.823 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423087591 1028175078 /nfs/dbraw/zinc/17/50/78/1028175078.db2.gz PXVYYYOVODKDOG-QTQOVQFESA-N 2 1 342.527 3.660 20 0 EHADMP Clc1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423185168 1028231854 /nfs/dbraw/zinc/23/18/54/1028231854.db2.gz JMDUQQKNKMFUDN-LJQANCHMSA-N 2 1 329.875 3.956 20 0 EHADMP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCCC1 ZINC000423198456 1028266543 /nfs/dbraw/zinc/26/65/43/1028266543.db2.gz FYCXKLIESGWAAV-WKCHPHFGSA-N 2 1 341.543 3.823 20 0 EHADMP COc1ccc2c(c1)[C@H](NC[C@@H]([NH3+])c1ccccc1)CCCS2 ZINC000423243746 1028306507 /nfs/dbraw/zinc/30/65/07/1028306507.db2.gz MZOOIZUUMZZQMB-QZTJIDSGSA-N 2 1 328.481 3.912 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423261332 1028320863 /nfs/dbraw/zinc/32/08/63/1028320863.db2.gz JRWFXYMJCQDOPI-RVKKMQEKSA-N 2 1 334.504 3.693 20 0 EHADMP CC1CC[NH+](CCC[C@@H]([NH2+]CC(C)(C)[NH3+])c2ccc(F)cc2)CC1 ZINC000423289529 1028324941 /nfs/dbraw/zinc/32/49/41/1028324941.db2.gz XJTSNZCZALSXCB-LJQANCHMSA-N 3 1 335.511 3.706 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423269338 1028331022 /nfs/dbraw/zinc/33/10/22/1028331022.db2.gz FMJLCPAQYWZRBM-WBVHZDCISA-N 2 1 343.496 3.523 20 0 EHADMP CC[C@@H](C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000421377489 1028338375 /nfs/dbraw/zinc/33/83/75/1028338375.db2.gz RWJUVYBSBPNPAE-FQEVSTJZSA-N 2 1 343.559 3.672 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000423276565 1028338628 /nfs/dbraw/zinc/33/86/28/1028338628.db2.gz NDBXPAZLCGZEQI-GOEBONIOSA-N 2 1 331.460 3.654 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CCc2ccsc2)cc1 ZINC000423346901 1028361360 /nfs/dbraw/zinc/36/13/60/1028361360.db2.gz ZILUZIPYLOWCOB-UIAACRFSSA-N 2 1 344.524 3.813 20 0 EHADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000423434861 1028442593 /nfs/dbraw/zinc/44/25/93/1028442593.db2.gz YITYAGZLROPYEE-XNDMIHLESA-N 3 1 341.543 3.537 20 0 EHADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000423434861 1028442596 /nfs/dbraw/zinc/44/25/96/1028442596.db2.gz YITYAGZLROPYEE-XNDMIHLESA-N 2 1 341.543 3.537 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466278 1028453629 /nfs/dbraw/zinc/45/36/29/1028453629.db2.gz NFYAFYFEPFGDBV-HIFRSBDPSA-N 2 1 331.485 3.523 20 0 EHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc2ccccc2c1 ZINC000423505934 1028469258 /nfs/dbraw/zinc/46/92/58/1028469258.db2.gz IERIGNCETQPOII-YTXWROIDSA-N 2 1 337.511 3.707 20 0 EHADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423509621 1028472993 /nfs/dbraw/zinc/47/29/93/1028472993.db2.gz LOZZVISTZVBQAO-QZNJRLLKSA-N 2 1 341.543 3.519 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000246415812 1028480432 /nfs/dbraw/zinc/48/04/32/1028480432.db2.gz MVXQWDNEEKFPMM-SJLPKXTDSA-N 2 1 331.504 3.664 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246415812 1028480439 /nfs/dbraw/zinc/48/04/39/1028480439.db2.gz MVXQWDNEEKFPMM-SJLPKXTDSA-N 2 1 331.504 3.664 20 0 EHADMP Clc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)cc1 ZINC000423510218 1028487617 /nfs/dbraw/zinc/48/76/17/1028487617.db2.gz MIDQZNPBJNFEBB-SOAGJPPSSA-N 2 1 347.934 3.597 20 0 EHADMP COc1ccc(OC)c([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423516604 1028493773 /nfs/dbraw/zinc/49/37/73/1028493773.db2.gz AVJHVOKPSGBTGV-PUGNBPNRSA-N 2 1 344.499 3.508 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOCC(F)(F)F)C1 ZINC000072966216 1028533688 /nfs/dbraw/zinc/53/36/88/1028533688.db2.gz XPKSKDJWWICXBN-JKSUJKDBSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000072966216 1028533694 /nfs/dbraw/zinc/53/36/94/1028533694.db2.gz XPKSKDJWWICXBN-JKSUJKDBSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000072966216 1028533704 /nfs/dbraw/zinc/53/37/04/1028533704.db2.gz XPKSKDJWWICXBN-JKSUJKDBSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754159 1028550028 /nfs/dbraw/zinc/55/00/28/1028550028.db2.gz NJKBVUWAULEAEJ-PBFPGSCMSA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754159 1028550038 /nfs/dbraw/zinc/55/00/38/1028550038.db2.gz NJKBVUWAULEAEJ-PBFPGSCMSA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754159 1028550042 /nfs/dbraw/zinc/55/00/42/1028550042.db2.gz NJKBVUWAULEAEJ-PBFPGSCMSA-N 2 1 332.879 3.741 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCC ZINC000414766669 1028692926 /nfs/dbraw/zinc/69/29/26/1028692926.db2.gz IFUOWSOUTQNGNJ-KDURUIRLSA-N 2 1 346.515 3.696 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414767762 1028702319 /nfs/dbraw/zinc/70/23/19/1028702319.db2.gz KKCUTZSOSZURBC-IYBDPMFKSA-N 2 1 334.891 3.560 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000247045752 1028736717 /nfs/dbraw/zinc/73/67/17/1028736717.db2.gz MYJMRROPDYPLKB-DLBZAZTESA-N 2 1 331.504 3.950 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000247146681 1028752626 /nfs/dbraw/zinc/75/26/26/1028752626.db2.gz SPVBVVACDJLWIO-UMVBOHGHSA-N 2 1 342.430 3.505 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000247146681 1028752638 /nfs/dbraw/zinc/75/26/38/1028752638.db2.gz SPVBVVACDJLWIO-UMVBOHGHSA-N 2 1 342.430 3.505 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000424150486 1028837851 /nfs/dbraw/zinc/83/78/51/1028837851.db2.gz ZCXUVNSVDDBWJX-QAPCUYQASA-N 2 1 332.517 3.698 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000424150486 1028837868 /nfs/dbraw/zinc/83/78/68/1028837868.db2.gz ZCXUVNSVDDBWJX-QAPCUYQASA-N 2 1 332.517 3.698 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3[C@H](C)CCC[C@@H]3C)CC2)oc1C ZINC000248006814 1028839260 /nfs/dbraw/zinc/83/92/60/1028839260.db2.gz KXIKUQLDRJQALA-QVDMIQRCSA-N 2 1 333.520 3.918 20 0 EHADMP [NH3+][C@H](CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)CC1CCCCC1 ZINC000424153170 1028842292 /nfs/dbraw/zinc/84/22/92/1028842292.db2.gz JQAQTAXWBLIKNT-LJQANCHMSA-N 2 1 349.563 3.541 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000421856692 1028849532 /nfs/dbraw/zinc/84/95/32/1028849532.db2.gz NWYDQLSMILZATF-NJDAHSKKSA-N 2 1 342.527 3.714 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777979 1028877315 /nfs/dbraw/zinc/87/73/15/1028877315.db2.gz ISQUSCONTBVHLS-OLZOCXBDSA-N 2 1 330.369 3.666 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000248433208 1028901330 /nfs/dbraw/zinc/90/13/30/1028901330.db2.gz CXGCWFDKNNMLBO-AEFFLSMTSA-N 2 1 331.504 3.664 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)[C@@H](C)C1 ZINC000245608146 1028919773 /nfs/dbraw/zinc/91/97/73/1028919773.db2.gz RVDWYTOKWJNPOP-NDXORKPFSA-N 2 1 348.506 3.930 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCCCO2)C3)cc1 ZINC000248874548 1028961307 /nfs/dbraw/zinc/96/13/07/1028961307.db2.gz IXPMLTWLOLHOMV-PLACYPQZSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC[NH2+]1 ZINC000841008746 1028999446 /nfs/dbraw/zinc/99/94/46/1028999446.db2.gz BYYLSADPEHSGHE-QCFAMHMHSA-N 2 1 330.516 3.743 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](c3ccco3)N(C)C)CC2)C1 ZINC000154095460 1029016352 /nfs/dbraw/zinc/01/63/52/1029016352.db2.gz ZPXCFVSPXQTZFE-QRQLOZEOSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H](c3ccco3)[NH+](C)C)CC2)C1 ZINC000154095460 1029016367 /nfs/dbraw/zinc/01/63/67/1029016367.db2.gz ZPXCFVSPXQTZFE-QRQLOZEOSA-N 2 1 333.520 3.515 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)s2)cc1 ZINC000414785086 1029043290 /nfs/dbraw/zinc/04/32/90/1029043290.db2.gz SDLIPAQJEDKKEB-ZWKOTPCHSA-N 2 1 341.524 3.940 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117351 1029062960 /nfs/dbraw/zinc/06/29/60/1029062960.db2.gz ZSWVPKFMYYUTFV-IAGOWNOFSA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117351 1029062979 /nfs/dbraw/zinc/06/29/79/1029062979.db2.gz ZSWVPKFMYYUTFV-IAGOWNOFSA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117351 1029063016 /nfs/dbraw/zinc/06/30/16/1029063016.db2.gz ZSWVPKFMYYUTFV-IAGOWNOFSA-N 2 1 336.907 3.915 20 0 EHADMP CC(C)Sc1cc(Br)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414796777 1029119602 /nfs/dbraw/zinc/11/96/02/1029119602.db2.gz YHHWUQHZMHPTTQ-UHFFFAOYSA-N 2 1 343.334 3.791 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000271728144 1029143064 /nfs/dbraw/zinc/14/30/64/1029143064.db2.gz ORMQJQPMEFICMK-KXBFYZLASA-N 2 1 341.455 3.517 20 0 EHADMP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cs2)cc1 ZINC000414800013 1029178382 /nfs/dbraw/zinc/17/83/82/1029178382.db2.gz KLUUXZWEJZSKHM-MAUKXSAKSA-N 2 1 345.512 3.638 20 0 EHADMP Clc1ccc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000459388892 1029185931 /nfs/dbraw/zinc/18/59/31/1029185931.db2.gz MJQDLETUVADWME-UHFFFAOYSA-N 2 1 343.298 3.979 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053036 1029281028 /nfs/dbraw/zinc/28/10/28/1029281028.db2.gz FEKWFOYXJAEURB-BHIFYINESA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053036 1029281042 /nfs/dbraw/zinc/28/10/42/1029281042.db2.gz FEKWFOYXJAEURB-BHIFYINESA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053036 1029281056 /nfs/dbraw/zinc/28/10/56/1029281056.db2.gz FEKWFOYXJAEURB-BHIFYINESA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053036 1029281065 /nfs/dbraw/zinc/28/10/65/1029281065.db2.gz FEKWFOYXJAEURB-BHIFYINESA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053036 1029281082 /nfs/dbraw/zinc/28/10/82/1029281082.db2.gz FEKWFOYXJAEURB-BHIFYINESA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053036 1029281102 /nfs/dbraw/zinc/28/11/02/1029281102.db2.gz FEKWFOYXJAEURB-BHIFYINESA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053036 1029281119 /nfs/dbraw/zinc/28/11/19/1029281119.db2.gz FEKWFOYXJAEURB-BHIFYINESA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[C@@H]4OCC[C@H]42)C3)cc1 ZINC000245779585 1029283446 /nfs/dbraw/zinc/28/34/46/1029283446.db2.gz YPKWCZGITMIAAF-GCOBIYGJSA-N 2 1 340.511 3.729 20 0 EHADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000319108599 1029346859 /nfs/dbraw/zinc/34/68/59/1029346859.db2.gz YQKNMFBESHBPLS-FQEVSTJZSA-N 2 1 330.516 3.838 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000261630894 1029464658 /nfs/dbraw/zinc/46/46/58/1029464658.db2.gz FLHVYLLPFZZULV-QFIPXVFZSA-N 2 1 346.478 3.710 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)c(C(C)(C)C)n2)cc1 ZINC000414837839 1029520144 /nfs/dbraw/zinc/52/01/44/1029520144.db2.gz VZIFNYCGDLUKNI-KRWDZBQOSA-N 2 1 340.515 3.567 20 0 EHADMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000261953054 1029537434 /nfs/dbraw/zinc/53/74/34/1029537434.db2.gz OFYMBRFVNSVPFC-HUUCEWRRSA-N 2 1 344.421 3.714 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000262002273 1029547819 /nfs/dbraw/zinc/54/78/19/1029547819.db2.gz UFUDKJYDRMAAMC-OAHLLOKOSA-N 2 1 344.421 3.676 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccc(F)cc2)cc1 ZINC000262041168 1029554881 /nfs/dbraw/zinc/55/48/81/1029554881.db2.gz PEOSQJGVHNZUDS-OAQYLSRUSA-N 2 1 342.433 3.782 20 0 EHADMP C[C@@H]([NH2+]CC1(CCO)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272679891 1029564222 /nfs/dbraw/zinc/56/42/22/1029564222.db2.gz SAKHWFTUOMCHMK-CTNGQTDRSA-N 2 1 344.543 3.820 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699803 1029745757 /nfs/dbraw/zinc/74/57/57/1029745757.db2.gz RNFWRBLUWMRHQX-SFHLNBCPSA-N 2 1 339.527 3.846 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272477 1029766639 /nfs/dbraw/zinc/76/66/39/1029766639.db2.gz JFZOYKXVHPMJSK-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272477 1029766643 /nfs/dbraw/zinc/76/66/43/1029766643.db2.gz JFZOYKXVHPMJSK-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272477 1029766651 /nfs/dbraw/zinc/76/66/51/1029766651.db2.gz JFZOYKXVHPMJSK-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272477 1029766660 /nfs/dbraw/zinc/76/66/60/1029766660.db2.gz JFZOYKXVHPMJSK-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1 ZINC000446760237 1029792186 /nfs/dbraw/zinc/79/21/86/1029792186.db2.gz SNSPHSDPJLLVHD-OAQYLSRUSA-N 2 1 342.458 3.899 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCC1 ZINC000446828589 1029812333 /nfs/dbraw/zinc/81/23/33/1029812333.db2.gz WSVVBNBKCUAGEJ-JENIJYKNSA-N 2 1 336.545 3.926 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCC1 ZINC000446828589 1029812343 /nfs/dbraw/zinc/81/23/43/1029812343.db2.gz WSVVBNBKCUAGEJ-JENIJYKNSA-N 2 1 336.545 3.926 20 0 EHADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000446834161 1029815590 /nfs/dbraw/zinc/81/55/90/1029815590.db2.gz WJPDWAYPWAANFP-LQCXBHPOSA-N 2 1 342.527 3.977 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)cc1 ZINC000278261935 1029857581 /nfs/dbraw/zinc/85/75/81/1029857581.db2.gz NUWMYHXTKHQNJU-HNNXBMFYSA-N 2 1 344.455 3.759 20 0 EHADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453218314 1029929054 /nfs/dbraw/zinc/92/90/54/1029929054.db2.gz KMLMUHLDQMHYHD-QSUVIHHLSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@@H+]1C ZINC000453236143 1029959330 /nfs/dbraw/zinc/95/93/30/1029959330.db2.gz KITJFNKOIXIUAL-JSGCOSHPSA-N 2 1 328.378 3.647 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC000453236143 1029959346 /nfs/dbraw/zinc/95/93/46/1029959346.db2.gz KITJFNKOIXIUAL-JSGCOSHPSA-N 2 1 328.378 3.647 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ncc(-c2ccccc2)n1C ZINC000635009299 1029965781 /nfs/dbraw/zinc/96/57/81/1029965781.db2.gz GSXSNRZHXSGEHI-NVXWUHKLSA-N 2 1 326.488 3.516 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1cccc(Cl)c1 ZINC000650707895 1030008122 /nfs/dbraw/zinc/00/81/22/1030008122.db2.gz PIKURIWDODSFPU-IWKCEXAMSA-N 2 1 336.907 3.662 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000728570251 1030048538 /nfs/dbraw/zinc/04/85/38/1030048538.db2.gz FUPQQTFDPRKERP-UHFFFAOYSA-N 2 1 330.303 3.942 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000481950456 1030129267 /nfs/dbraw/zinc/12/92/67/1030129267.db2.gz BJRDKMWCGNVGBH-DLBZAZTESA-N 2 1 328.504 3.788 20 0 EHADMP C[C@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724085 1030219377 /nfs/dbraw/zinc/21/93/77/1030219377.db2.gz YERKYKJYTOHDAI-CWJKEVGVSA-N 2 1 330.516 3.616 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)ccc1C ZINC000482146315 1030237393 /nfs/dbraw/zinc/23/73/93/1030237393.db2.gz AGFYHQHNVOZJDQ-RTBURBONSA-N 2 1 345.531 3.732 20 0 EHADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)c1 ZINC000121286340 1030237514 /nfs/dbraw/zinc/23/75/14/1030237514.db2.gz JGFJWHABVDIZEZ-RXVVDRJESA-N 2 1 330.516 3.726 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000091321126 1030256677 /nfs/dbraw/zinc/25/66/77/1030256677.db2.gz AJVPWCROHKTDSL-SJCJKPOMSA-N 2 1 348.288 3.867 20 0 EHADMP CC1(C)C[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000453422050 1030276296 /nfs/dbraw/zinc/27/62/96/1030276296.db2.gz MLNXWYZGSLNVIF-GOSISDBHSA-N 2 1 348.506 3.627 20 0 EHADMP COC(=O)C(C)(C)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978368 1030296692 /nfs/dbraw/zinc/29/66/92/1030296692.db2.gz SJIHQOOXSUTQRG-PKOBYXMFSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978368 1030296706 /nfs/dbraw/zinc/29/67/06/1030296706.db2.gz SJIHQOOXSUTQRG-PKOBYXMFSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978368 1030296720 /nfs/dbraw/zinc/29/67/20/1030296720.db2.gz SJIHQOOXSUTQRG-PKOBYXMFSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000525978368 1030296731 /nfs/dbraw/zinc/29/67/31/1030296731.db2.gz SJIHQOOXSUTQRG-PKOBYXMFSA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447563659 1030308327 /nfs/dbraw/zinc/30/83/27/1030308327.db2.gz RIRZHRKEGWUYRJ-YADHBBJMSA-N 2 1 343.559 3.734 20 0 EHADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1Br ZINC000453591523 1030383609 /nfs/dbraw/zinc/38/36/09/1030383609.db2.gz CMCCKSOTQWPCHT-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC(C)C ZINC000092253351 1030418368 /nfs/dbraw/zinc/41/83/68/1030418368.db2.gz FVAMNCKTYYXDMK-GOSISDBHSA-N 2 1 334.504 3.504 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC(C)C ZINC000092253351 1030418378 /nfs/dbraw/zinc/41/83/78/1030418378.db2.gz FVAMNCKTYYXDMK-GOSISDBHSA-N 2 1 334.504 3.504 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCC(C)C ZINC000092253351 1030418388 /nfs/dbraw/zinc/41/83/88/1030418388.db2.gz FVAMNCKTYYXDMK-GOSISDBHSA-N 2 1 334.504 3.504 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCC(C)C ZINC000092253351 1030418393 /nfs/dbraw/zinc/41/83/93/1030418393.db2.gz FVAMNCKTYYXDMK-GOSISDBHSA-N 2 1 334.504 3.504 20 0 EHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121893310 1030433977 /nfs/dbraw/zinc/43/39/77/1030433977.db2.gz NZJXQFQEKNCKOR-KBXCAEBGSA-N 2 1 334.891 3.936 20 0 EHADMP Cc1cccc(N2CCC([NH2+]Cc3nc(-c4ccccc4)c[nH]3)CC2)[nH+]1 ZINC000194319345 1030448578 /nfs/dbraw/zinc/44/85/78/1030448578.db2.gz GGIWSQBQYJANSP-UHFFFAOYSA-N 2 1 347.466 3.539 20 0 EHADMP C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482621685 1030585534 /nfs/dbraw/zinc/58/55/34/1030585534.db2.gz SVENCORCLVQFLI-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482621685 1030585541 /nfs/dbraw/zinc/58/55/41/1030585541.db2.gz SVENCORCLVQFLI-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000482635897 1030610391 /nfs/dbraw/zinc/61/03/91/1030610391.db2.gz UYFFRRZELNVRNT-KJXAQDMKSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000482635897 1030610400 /nfs/dbraw/zinc/61/04/00/1030610400.db2.gz UYFFRRZELNVRNT-KJXAQDMKSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000482702546 1030655632 /nfs/dbraw/zinc/65/56/32/1030655632.db2.gz BNMPOKWKHNSICZ-IRLDBZIGSA-N 2 1 343.559 3.847 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000655730906 1030662577 /nfs/dbraw/zinc/66/25/77/1030662577.db2.gz VVODTMUFNSEDSO-KRWDZBQOSA-N 2 1 344.478 3.530 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000655730906 1030662583 /nfs/dbraw/zinc/66/25/83/1030662583.db2.gz VVODTMUFNSEDSO-KRWDZBQOSA-N 2 1 344.478 3.530 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H]2CCC[C@H]21 ZINC000550859917 1030747688 /nfs/dbraw/zinc/74/76/88/1030747688.db2.gz DPAKIPCCPQYMAJ-CWRNSKLLSA-N 2 1 341.268 3.551 20 0 EHADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385718 1030758068 /nfs/dbraw/zinc/75/80/68/1030758068.db2.gz BDLRJELDSIMASK-UHFFFAOYSA-N 2 1 344.478 3.503 20 0 EHADMP CCC(CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882589 1030758298 /nfs/dbraw/zinc/75/82/98/1030758298.db2.gz OPEJXGTTZWUANJ-IBGZPJMESA-N 2 1 330.516 3.693 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527644971 1031071772 /nfs/dbraw/zinc/07/17/72/1031071772.db2.gz LHCDDDXJVFWDBZ-VQTJNVASSA-N 2 1 330.516 3.539 20 0 EHADMP COc1ccc(F)cc1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551176598 1031075648 /nfs/dbraw/zinc/07/56/48/1031075648.db2.gz ZIQYBJNVHPPMEF-OALUTQOASA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000551176598 1031075665 /nfs/dbraw/zinc/07/56/65/1031075665.db2.gz ZIQYBJNVHPPMEF-OALUTQOASA-N 2 1 328.431 3.759 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000066586792 1031163115 /nfs/dbraw/zinc/16/31/15/1031163115.db2.gz DNVDCAFGUCXIJX-UHFFFAOYSA-N 2 1 348.922 4.000 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000551258914 1031164371 /nfs/dbraw/zinc/16/43/71/1031164371.db2.gz LUOHIUNWERXMOF-PCCBWWKXSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000476999632 1031166477 /nfs/dbraw/zinc/16/64/77/1031166477.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000476999632 1031166494 /nfs/dbraw/zinc/16/64/94/1031166494.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000476999632 1031166507 /nfs/dbraw/zinc/16/65/07/1031166507.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000476999632 1031166524 /nfs/dbraw/zinc/16/65/24/1031166524.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000476999632 1031166532 /nfs/dbraw/zinc/16/65/32/1031166532.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000476999632 1031166545 /nfs/dbraw/zinc/16/65/45/1031166545.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000476999632 1031166558 /nfs/dbraw/zinc/16/65/58/1031166558.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000476999632 1031166565 /nfs/dbraw/zinc/16/65/65/1031166565.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000476999632 1031166575 /nfs/dbraw/zinc/16/65/75/1031166575.db2.gz WLSDJTQXHITEJT-CTNGQTDRSA-N 2 1 335.580 3.837 20 0 EHADMP COc1c(C)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000537698689 1031182908 /nfs/dbraw/zinc/18/29/08/1031182908.db2.gz WEDPADWDNIXKHT-QUCCMNQESA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698689 1031182914 /nfs/dbraw/zinc/18/29/14/1031182914.db2.gz WEDPADWDNIXKHT-QUCCMNQESA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698689 1031182918 /nfs/dbraw/zinc/18/29/18/1031182918.db2.gz WEDPADWDNIXKHT-QUCCMNQESA-N 2 1 328.500 3.761 20 0 EHADMP COc1cc(F)cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903183143 1031269125 /nfs/dbraw/zinc/26/91/25/1031269125.db2.gz KVOQTLRRXVXGHO-ZEIDCXACSA-N 2 1 332.463 3.513 20 0 EHADMP COc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)ccc1OC(C)C ZINC000527805313 1031277203 /nfs/dbraw/zinc/27/72/03/1031277203.db2.gz GXLQVODSTKIXFM-GOSISDBHSA-N 2 1 332.488 3.589 20 0 EHADMP COc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)ccc1OC(C)C ZINC000527805313 1031277214 /nfs/dbraw/zinc/27/72/14/1031277214.db2.gz GXLQVODSTKIXFM-GOSISDBHSA-N 2 1 332.488 3.589 20 0 EHADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000568277549 1031301872 /nfs/dbraw/zinc/30/18/72/1031301872.db2.gz YVPQUBVCVVYGGE-TYPHKJRUSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483818906 1031353315 /nfs/dbraw/zinc/35/33/15/1031353315.db2.gz IZVRZYQQTNNAJH-HXUWFJFHSA-N 2 1 343.559 3.504 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000527923780 1031414243 /nfs/dbraw/zinc/41/42/43/1031414243.db2.gz GHJYTTIXZNBFCW-LNRXMEIDSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997130 1031456652 /nfs/dbraw/zinc/45/66/52/1031456652.db2.gz YJPJJAKJLWSXIS-KRWDZBQOSA-N 2 1 344.890 3.598 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000527935667 1031500545 /nfs/dbraw/zinc/50/05/45/1031500545.db2.gz NVEULETVRONOHH-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000527935667 1031500562 /nfs/dbraw/zinc/50/05/62/1031500562.db2.gz NVEULETVRONOHH-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000528034912 1031613642 /nfs/dbraw/zinc/61/36/42/1031613642.db2.gz BUXMEYUGOVKISA-CABCVRRESA-N 2 1 331.435 3.573 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640219 1031711110 /nfs/dbraw/zinc/71/11/10/1031711110.db2.gz VOWFPHHCWXJSTM-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640219 1031711128 /nfs/dbraw/zinc/71/11/28/1031711128.db2.gz VOWFPHHCWXJSTM-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640219 1031711143 /nfs/dbraw/zinc/71/11/43/1031711143.db2.gz VOWFPHHCWXJSTM-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640219 1031711161 /nfs/dbraw/zinc/71/11/61/1031711161.db2.gz VOWFPHHCWXJSTM-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000584140373 1031793469 /nfs/dbraw/zinc/79/34/69/1031793469.db2.gz FYGZIYQESGXLAL-IKGGRYGDSA-N 2 1 334.504 3.516 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000180406878 1031849744 /nfs/dbraw/zinc/84/97/44/1031849744.db2.gz NMINWTKPOLHZBK-FQEVSTJZSA-N 2 1 328.500 3.851 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000180701846 1031901997 /nfs/dbraw/zinc/90/19/97/1031901997.db2.gz BQJGMWDVXAIJRC-GJZGRUSLSA-N 2 1 343.471 3.952 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939090 1032022532 /nfs/dbraw/zinc/02/25/32/1032022532.db2.gz CABQGQBYXBVNGW-KIZRIRGWSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939090 1032022547 /nfs/dbraw/zinc/02/25/47/1032022547.db2.gz CABQGQBYXBVNGW-KIZRIRGWSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939090 1032022565 /nfs/dbraw/zinc/02/25/65/1032022565.db2.gz CABQGQBYXBVNGW-KIZRIRGWSA-N 3 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939090 1032022584 /nfs/dbraw/zinc/02/25/84/1032022584.db2.gz CABQGQBYXBVNGW-KIZRIRGWSA-N 2 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939090 1032022600 /nfs/dbraw/zinc/02/26/00/1032022600.db2.gz CABQGQBYXBVNGW-KIZRIRGWSA-N 2 1 343.559 3.607 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420534 1032041805 /nfs/dbraw/zinc/04/18/05/1032041805.db2.gz RWWPOCMAEDGUAS-UONOGXRCSA-N 2 1 339.464 3.598 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420534 1032041826 /nfs/dbraw/zinc/04/18/26/1032041826.db2.gz RWWPOCMAEDGUAS-UONOGXRCSA-N 2 1 339.464 3.598 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cccc2C)[C@@H](C)C1 ZINC000537958403 1032046414 /nfs/dbraw/zinc/04/64/14/1032046414.db2.gz SXSPZJXSXMQMJQ-FPOVZHCZSA-N 2 1 332.532 3.573 20 0 EHADMP CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443124 1033334987 /nfs/dbraw/zinc/33/49/87/1033334987.db2.gz FXJSCXDWBGPSGY-WCRBZPEASA-N 2 1 343.559 3.702 20 0 EHADMP CN(CC(C)(C)C[NH+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443124 1033334998 /nfs/dbraw/zinc/33/49/98/1033334998.db2.gz FXJSCXDWBGPSGY-WCRBZPEASA-N 2 1 343.559 3.702 20 0 EHADMP CN(CC(C)(C)C[NH+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443124 1033335009 /nfs/dbraw/zinc/33/50/09/1033335009.db2.gz FXJSCXDWBGPSGY-WCRBZPEASA-N 2 1 343.559 3.702 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Br)cs3)C2)CC1 ZINC000685462804 1033357280 /nfs/dbraw/zinc/35/72/80/1033357280.db2.gz IJVUTZRIQFDSIV-CYBMUJFWSA-N 2 1 343.334 3.674 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3cnc4ccccc4c3)C2)cc1 ZINC000728594620 1033425321 /nfs/dbraw/zinc/42/53/21/1033425321.db2.gz SCCXLUZHPOBCHN-FQEVSTJZSA-N 2 1 345.490 3.889 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000708574445 1033427988 /nfs/dbraw/zinc/42/79/88/1033427988.db2.gz OCUZQHHAKZDXPS-CRAIPNDOSA-N 2 1 330.422 3.823 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000708574448 1033428881 /nfs/dbraw/zinc/42/88/81/1033428881.db2.gz OCUZQHHAKZDXPS-YJBOKZPZSA-N 2 1 330.422 3.823 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1 ZINC000191614221 1033457507 /nfs/dbraw/zinc/45/75/07/1033457507.db2.gz SRKJXXNXPAHTHB-DYESRHJHSA-N 2 1 349.478 3.743 20 0 EHADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000472337421 1033467083 /nfs/dbraw/zinc/46/70/83/1033467083.db2.gz HZTWQWTWRKRHKH-RTWAWAEBSA-N 2 1 340.515 3.636 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nccn2C2CC2)CC1)CC1CC1 ZINC000892402893 1033520100 /nfs/dbraw/zinc/52/01/00/1033520100.db2.gz GEQIIIDKRAOHAK-UHFFFAOYSA-N 2 1 330.520 3.552 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nccn2C2CC2)CC1)CC1CC1 ZINC000892402893 1033520110 /nfs/dbraw/zinc/52/01/10/1033520110.db2.gz GEQIIIDKRAOHAK-UHFFFAOYSA-N 2 1 330.520 3.552 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708580708 1033571473 /nfs/dbraw/zinc/57/14/73/1033571473.db2.gz AOSNAWLLDFHHKJ-FXAWDEMLSA-N 2 1 326.459 3.992 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708580708 1033571475 /nfs/dbraw/zinc/57/14/75/1033571475.db2.gz AOSNAWLLDFHHKJ-FXAWDEMLSA-N 2 1 326.459 3.992 20 0 EHADMP C[C@@H](CSCCF)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000595017886 1033612752 /nfs/dbraw/zinc/61/27/52/1033612752.db2.gz WTPRPWOAKVWMKK-LSDHHAIUSA-N 2 1 330.538 3.641 20 0 EHADMP C[C@@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000595017886 1033612746 /nfs/dbraw/zinc/61/27/46/1033612746.db2.gz WTPRPWOAKVWMKK-LSDHHAIUSA-N 2 1 330.538 3.641 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000595026464 1033617375 /nfs/dbraw/zinc/61/73/75/1033617375.db2.gz NYKOGTJMRJCZAP-YCPHGPKFSA-N 2 1 330.538 3.812 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000595026464 1033617387 /nfs/dbraw/zinc/61/73/87/1033617387.db2.gz NYKOGTJMRJCZAP-YCPHGPKFSA-N 2 1 330.538 3.812 20 0 EHADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(=O)OC(C)(C)C ZINC000595001774 1033628933 /nfs/dbraw/zinc/62/89/33/1033628933.db2.gz YNEKZSMLUGVOHV-KSZLIROESA-N 2 1 338.536 3.597 20 0 EHADMP CC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655770307 1033813336 /nfs/dbraw/zinc/81/33/36/1033813336.db2.gz GMFXVLWGWSWBIL-GOSISDBHSA-N 2 1 338.442 3.531 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658004565 1033836274 /nfs/dbraw/zinc/83/62/74/1033836274.db2.gz QPWGNGUJLJURDZ-RBUKOAKNSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658004565 1033836285 /nfs/dbraw/zinc/83/62/85/1033836285.db2.gz QPWGNGUJLJURDZ-RBUKOAKNSA-N 2 1 328.500 3.588 20 0 EHADMP COc1cccc(SCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000659945145 1033838452 /nfs/dbraw/zinc/83/84/52/1033838452.db2.gz SGOMAXYKUDRNBU-QGZVFWFLSA-N 2 1 334.529 3.738 20 0 EHADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000659945145 1033838468 /nfs/dbraw/zinc/83/84/68/1033838468.db2.gz SGOMAXYKUDRNBU-QGZVFWFLSA-N 2 1 334.529 3.738 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658019559 1033844300 /nfs/dbraw/zinc/84/43/00/1033844300.db2.gz RCAJMPJMXUTNNL-GOSISDBHSA-N 2 1 336.470 3.966 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)O1 ZINC000575122769 1033866173 /nfs/dbraw/zinc/86/61/73/1033866173.db2.gz CDAHAKMQPDCOCX-PIKOESSRSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)O1 ZINC000575122769 1033866180 /nfs/dbraw/zinc/86/61/80/1033866180.db2.gz CDAHAKMQPDCOCX-PIKOESSRSA-N 2 1 328.500 3.587 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000658061617 1033877415 /nfs/dbraw/zinc/87/74/15/1033877415.db2.gz UMTPCEJHIHJJSX-ZHMMRPBMSA-N 2 1 342.527 3.834 20 0 EHADMP CC[C@@H](COCC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658091633 1033921787 /nfs/dbraw/zinc/92/17/87/1033921787.db2.gz MULQZRFOKNWJAN-MYGLTJDJSA-N 2 1 342.527 3.977 20 0 EHADMP CC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000339490651 1034131138 /nfs/dbraw/zinc/13/11/38/1034131138.db2.gz VRZZRJAPPYATSE-HXUWFJFHSA-N 2 1 342.527 3.695 20 0 EHADMP Cc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658341061 1034216089 /nfs/dbraw/zinc/21/60/89/1034216089.db2.gz UGDVGZIWNNCASH-RXVVDRJESA-N 2 1 328.500 3.605 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000658332116 1034222692 /nfs/dbraw/zinc/22/26/92/1034222692.db2.gz RLLFXPLKKVXNQD-XEVCZEQESA-N 2 1 330.516 3.834 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(C/C(C)=C\c2ccccc2COC)C1 ZINC000508827748 1034258765 /nfs/dbraw/zinc/25/87/65/1034258765.db2.gz LWIWKEZTULGBPC-LJLZWOEMSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827748 1034258776 /nfs/dbraw/zinc/25/87/76/1034258776.db2.gz LWIWKEZTULGBPC-LJLZWOEMSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827748 1034258784 /nfs/dbraw/zinc/25/87/84/1034258784.db2.gz LWIWKEZTULGBPC-LJLZWOEMSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827748 1034258795 /nfs/dbraw/zinc/25/87/95/1034258795.db2.gz LWIWKEZTULGBPC-LJLZWOEMSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827748 1034258804 /nfs/dbraw/zinc/25/88/04/1034258804.db2.gz LWIWKEZTULGBPC-LJLZWOEMSA-N 2 1 330.516 3.900 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486694 1034285076 /nfs/dbraw/zinc/28/50/76/1034285076.db2.gz DCVOMNDATLJTNU-KGLIPLIRSA-N 2 1 339.886 3.520 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)C[C@H]1c1ccccc1 ZINC000421892133 1034311040 /nfs/dbraw/zinc/31/10/40/1034311040.db2.gz WINZYIGCFGLWIX-QYZOEREBSA-N 2 1 330.541 3.945 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)C[C@H]1c1ccccc1 ZINC000421892133 1034311048 /nfs/dbraw/zinc/31/10/48/1034311048.db2.gz WINZYIGCFGLWIX-QYZOEREBSA-N 2 1 330.541 3.945 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000340168591 1034365650 /nfs/dbraw/zinc/36/56/50/1034365650.db2.gz SLSTWNVGJACMOY-RBUKOAKNSA-N 2 1 340.467 3.629 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000340168591 1034365663 /nfs/dbraw/zinc/36/56/63/1034365663.db2.gz SLSTWNVGJACMOY-RBUKOAKNSA-N 2 1 340.467 3.629 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181901 1034411419 /nfs/dbraw/zinc/41/14/19/1034411419.db2.gz JXDMBEGIRDBLNO-LEWJYISDSA-N 2 1 337.467 3.570 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181901 1034411421 /nfs/dbraw/zinc/41/14/21/1034411421.db2.gz JXDMBEGIRDBLNO-LEWJYISDSA-N 2 1 337.467 3.570 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340230645 1034475233 /nfs/dbraw/zinc/47/52/33/1034475233.db2.gz LLWZLSABCWDRJP-QZTJIDSGSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340230645 1034475239 /nfs/dbraw/zinc/47/52/39/1034475239.db2.gz LLWZLSABCWDRJP-QZTJIDSGSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340230647 1034475688 /nfs/dbraw/zinc/47/56/88/1034475688.db2.gz LLWZLSABCWDRJP-ROUUACIJSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340230647 1034475697 /nfs/dbraw/zinc/47/56/97/1034475697.db2.gz LLWZLSABCWDRJP-ROUUACIJSA-N 2 1 329.513 3.728 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)CC1 ZINC000597002980 1034488806 /nfs/dbraw/zinc/48/88/06/1034488806.db2.gz KGZBATBPQOSNTP-JOCHJYFZSA-N 2 1 341.543 3.556 20 0 EHADMP COC(=O)c1oc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1C ZINC000597047359 1034521742 /nfs/dbraw/zinc/52/17/42/1034521742.db2.gz DNUMCMFNCZGIRZ-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP COC(=O)c1oc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1C ZINC000597047359 1034521748 /nfs/dbraw/zinc/52/17/48/1034521748.db2.gz DNUMCMFNCZGIRZ-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP COC(=O)c1oc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1C ZINC000597047359 1034521754 /nfs/dbraw/zinc/52/17/54/1034521754.db2.gz DNUMCMFNCZGIRZ-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP CC[NH2+]CCCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000571504606 1035510418 /nfs/dbraw/zinc/51/04/18/1035510418.db2.gz GMTDSGHEPVJSPR-UHFFFAOYSA-N 2 1 346.519 3.572 20 0 EHADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1C(F)F ZINC001279705929 1035524602 /nfs/dbraw/zinc/52/46/02/1035524602.db2.gz DWGFBWFGGTZARC-UHFFFAOYSA-N 2 1 338.442 3.941 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000282278400 1035593908 /nfs/dbraw/zinc/59/39/08/1035593908.db2.gz RONUYJNMFLYJBQ-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000282278400 1035593917 /nfs/dbraw/zinc/59/39/17/1035593917.db2.gz RONUYJNMFLYJBQ-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H](CC[NH2+][C@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282287445 1035606055 /nfs/dbraw/zinc/60/60/55/1035606055.db2.gz RXZJAMIVBDUOIW-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC(C)(C)O1 ZINC000187395085 1035813004 /nfs/dbraw/zinc/81/30/04/1035813004.db2.gz LHQBJVRPTSZABF-IBGZPJMESA-N 2 1 331.504 3.578 20 0 EHADMP CC(C)(C)OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965537 1035835118 /nfs/dbraw/zinc/83/51/18/1035835118.db2.gz XMNHESPORUSHEF-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000414172604 1035881801 /nfs/dbraw/zinc/88/18/01/1035881801.db2.gz FNLQMKUUMJZIOA-KBPBESRZSA-N 2 1 342.430 3.679 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCCC1 ZINC000540988888 1035883159 /nfs/dbraw/zinc/88/31/59/1035883159.db2.gz KEENERYBXPYWRH-RTWAWAEBSA-N 2 1 330.516 3.702 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000535083281 1035977285 /nfs/dbraw/zinc/97/72/85/1035977285.db2.gz SISKKCAHSQTDTN-UHFFFAOYSA-N 2 1 344.478 3.768 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414203096 1036041665 /nfs/dbraw/zinc/04/16/65/1036041665.db2.gz ZDKQHSYFOSSUOM-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414203096 1036041684 /nfs/dbraw/zinc/04/16/84/1036041684.db2.gz ZDKQHSYFOSSUOM-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414203096 1036041705 /nfs/dbraw/zinc/04/17/05/1036041705.db2.gz ZDKQHSYFOSSUOM-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203096 1036041726 /nfs/dbraw/zinc/04/17/26/1036041726.db2.gz ZDKQHSYFOSSUOM-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203096 1036041747 /nfs/dbraw/zinc/04/17/47/1036041747.db2.gz ZDKQHSYFOSSUOM-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)[C@H](C)O1 ZINC000414249402 1036273066 /nfs/dbraw/zinc/27/30/66/1036273066.db2.gz FGTGWCOSHSJDQO-XQKZDWMGSA-N 2 1 342.527 3.833 20 0 EHADMP Cc1ccc(Br)c(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000414267369 1036349556 /nfs/dbraw/zinc/34/95/56/1036349556.db2.gz SUGUXPIXQXZLNE-HEHGZKQESA-N 2 1 325.294 3.576 20 0 EHADMP C[C@@H]1CCSCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191816357 1036433254 /nfs/dbraw/zinc/43/32/54/1036433254.db2.gz BHHJCXYGVFZWPI-QGZVFWFLSA-N 2 1 347.572 3.544 20 0 EHADMP CCc1ncc(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414282231 1036444344 /nfs/dbraw/zinc/44/43/44/1036444344.db2.gz HBBHMWHQPVBSGK-KRWDZBQOSA-N 2 1 338.499 3.703 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000414282231 1036444357 /nfs/dbraw/zinc/44/43/57/1036444357.db2.gz HBBHMWHQPVBSGK-KRWDZBQOSA-N 2 1 338.499 3.703 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414282231 1036444365 /nfs/dbraw/zinc/44/43/65/1036444365.db2.gz HBBHMWHQPVBSGK-KRWDZBQOSA-N 2 1 338.499 3.703 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572878422 1036541588 /nfs/dbraw/zinc/54/15/88/1036541588.db2.gz FUFRFSOUBMOBMN-IBGZPJMESA-N 2 1 328.500 3.732 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572878422 1036541595 /nfs/dbraw/zinc/54/15/95/1036541595.db2.gz FUFRFSOUBMOBMN-IBGZPJMESA-N 2 1 328.500 3.732 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000589640698 1036570628 /nfs/dbraw/zinc/57/06/28/1036570628.db2.gz LTBXIXMQFHIXHR-UHFFFAOYSA-N 2 1 336.483 3.703 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000589640698 1036570637 /nfs/dbraw/zinc/57/06/37/1036570637.db2.gz LTBXIXMQFHIXHR-UHFFFAOYSA-N 2 1 336.483 3.703 20 0 EHADMP C[C@]1(C[NH2+][C@H]2CCCc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310885147 1036717480 /nfs/dbraw/zinc/71/74/80/1036717480.db2.gz JBOZRXBSFOBNHV-RBBKRZOGSA-N 2 1 335.495 3.961 20 0 EHADMP C[C@]1(C[NH2+][C@H]2CCCc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310885147 1036717510 /nfs/dbraw/zinc/71/75/10/1036717510.db2.gz JBOZRXBSFOBNHV-RBBKRZOGSA-N 2 1 335.495 3.961 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464770543 1036736019 /nfs/dbraw/zinc/73/60/19/1036736019.db2.gz BUEIFLRZPRBVIC-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464770543 1036736037 /nfs/dbraw/zinc/73/60/37/1036736037.db2.gz BUEIFLRZPRBVIC-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1 ZINC000177322386 1036812980 /nfs/dbraw/zinc/81/29/80/1036812980.db2.gz AFWCGYGOIANXFF-LAUBAEHRSA-N 2 1 326.484 3.727 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168448296 1036898463 /nfs/dbraw/zinc/89/84/63/1036898463.db2.gz KNIGVHPDTDKLFK-HXUWFJFHSA-N 2 1 339.458 3.645 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000539546125 1036899673 /nfs/dbraw/zinc/89/96/73/1036899673.db2.gz GFZKVFWMPITIHL-OAQYLSRUSA-N 2 1 343.515 3.747 20 0 EHADMP C[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310836272 1036913760 /nfs/dbraw/zinc/91/37/60/1036913760.db2.gz MTJJMOOOAUPTGO-PZJWPPBQSA-N 2 1 338.495 3.956 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000311074227 1036954279 /nfs/dbraw/zinc/95/42/79/1036954279.db2.gz ZTLFZXGQXIZWFQ-RTWAWAEBSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000311074227 1036954295 /nfs/dbraw/zinc/95/42/95/1036954295.db2.gz ZTLFZXGQXIZWFQ-RTWAWAEBSA-N 2 1 336.479 3.982 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000647538767 1037011716 /nfs/dbraw/zinc/01/17/16/1037011716.db2.gz HCTHRXIIFZATBD-QGZVFWFLSA-N 2 1 326.406 3.714 20 0 EHADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000311718827 1037029737 /nfs/dbraw/zinc/02/97/37/1037029737.db2.gz PDZPGPYOHIZWJV-TXEJJXNPSA-N 2 1 343.696 3.534 20 0 EHADMP CC(C)n1ncc2cc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cnc21 ZINC000590786275 1037050033 /nfs/dbraw/zinc/05/00/33/1037050033.db2.gz LZJWRNUFBYONTR-UHFFFAOYSA-N 2 1 343.519 3.564 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000590786587 1037055770 /nfs/dbraw/zinc/05/57/70/1037055770.db2.gz GRICLSYMCRVACP-UHFFFAOYSA-N 2 1 344.528 3.757 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000590786587 1037055792 /nfs/dbraw/zinc/05/57/92/1037055792.db2.gz GRICLSYMCRVACP-UHFFFAOYSA-N 2 1 344.528 3.757 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(C)C ZINC000647542789 1037067012 /nfs/dbraw/zinc/06/70/12/1037067012.db2.gz BVICAMHYPWBOIN-MOPGFXCFSA-N 2 1 346.515 3.694 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544224 1037096755 /nfs/dbraw/zinc/09/67/55/1037096755.db2.gz YJNJFYAZWKFXDP-MOPGFXCFSA-N 2 1 338.499 3.597 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCC(C(F)(F)F)CC1 ZINC000423190213 1037108462 /nfs/dbraw/zinc/10/84/62/1037108462.db2.gz QNPJHXXOCBCZAH-ODIFPOPNSA-N 2 1 343.437 3.908 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046202 1037170362 /nfs/dbraw/zinc/17/03/62/1037170362.db2.gz VAQNJNFWYMZZLR-CABCVRRESA-N 2 1 328.422 3.956 20 0 EHADMP C[N@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)C[C@H]1c1ccccc1 ZINC000423283820 1037197756 /nfs/dbraw/zinc/19/77/56/1037197756.db2.gz WILGWPXCXQVOPR-SFTDATJTSA-N 2 1 329.532 3.724 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000057887212 1037229960 /nfs/dbraw/zinc/22/99/60/1037229960.db2.gz ADYNTDNYULRVMG-KRWDZBQOSA-N 2 1 336.483 3.988 20 0 EHADMP CC1CC[NH+](CCN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000465395177 1037516187 /nfs/dbraw/zinc/51/61/87/1037516187.db2.gz OXTVAHSJEXJWCF-UHFFFAOYSA-N 2 1 349.950 3.580 20 0 EHADMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000465395177 1037516222 /nfs/dbraw/zinc/51/62/22/1037516222.db2.gz OXTVAHSJEXJWCF-UHFFFAOYSA-N 2 1 349.950 3.580 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000540171675 1037639915 /nfs/dbraw/zinc/63/99/15/1037639915.db2.gz VOHGQTFEQDGDOK-NQIIRXRSSA-N 2 1 337.511 3.753 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463074062 1037739317 /nfs/dbraw/zinc/73/93/17/1037739317.db2.gz OIOARVYCOIAIJT-XAPVIXHLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463074062 1037739327 /nfs/dbraw/zinc/73/93/27/1037739327.db2.gz OIOARVYCOIAIJT-XAPVIXHLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463074062 1037739340 /nfs/dbraw/zinc/73/93/40/1037739340.db2.gz OIOARVYCOIAIJT-XAPVIXHLSA-N 2 1 343.559 3.750 20 0 EHADMP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1([NH+]2CCCCC2)CCCCC1 ZINC000493977781 1037741005 /nfs/dbraw/zinc/74/10/05/1037741005.db2.gz PQLJGBACODBYBQ-GUDVDZBRSA-N 2 1 332.532 3.722 20 0 EHADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463129434 1037778567 /nfs/dbraw/zinc/77/85/67/1037778567.db2.gz CBTSXRZGBYLYPD-CTNGQTDRSA-N 2 1 331.548 3.748 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315224 1037805332 /nfs/dbraw/zinc/80/53/32/1037805332.db2.gz GPJDFCQTLCOHOT-YADHBBJMSA-N 2 1 338.495 3.610 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315224 1037805348 /nfs/dbraw/zinc/80/53/48/1037805348.db2.gz GPJDFCQTLCOHOT-YADHBBJMSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463275471 1037980112 /nfs/dbraw/zinc/98/01/12/1037980112.db2.gz LEBJYLCTUINTEO-ZDUSSCGKSA-N 2 1 332.385 3.763 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000125071028 1038273795 /nfs/dbraw/zinc/27/37/95/1038273795.db2.gz KVNFNSWMMJTKBD-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000125071028 1038273808 /nfs/dbraw/zinc/27/38/08/1038273808.db2.gz KVNFNSWMMJTKBD-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP COc1ccc(CC2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000125076963 1038275793 /nfs/dbraw/zinc/27/57/93/1038275793.db2.gz LBNNPMFLJRCLDI-UHFFFAOYSA-N 2 1 327.472 3.545 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000125202187 1038293224 /nfs/dbraw/zinc/29/32/24/1038293224.db2.gz DYVIRJNYZLTTAW-UZLBHIALSA-N 2 1 338.499 3.613 20 0 EHADMP CCOc1cc(C[N@H+](C)C2CCN(CC)CC2)ccc1OC(F)F ZINC000125282328 1038303151 /nfs/dbraw/zinc/30/31/51/1038303151.db2.gz CTTPLVIEDOIJCG-UHFFFAOYSA-N 2 1 342.430 3.603 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000125440693 1038328479 /nfs/dbraw/zinc/32/84/79/1038328479.db2.gz BRIYHFYDEQECAW-UHFFFAOYSA-N 2 1 325.456 3.567 20 0 EHADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797317 1038533544 /nfs/dbraw/zinc/53/35/44/1038533544.db2.gz AMDVBDNZAVTVDO-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000538797317 1038533556 /nfs/dbraw/zinc/53/35/56/1038533556.db2.gz AMDVBDNZAVTVDO-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000538797317 1038533567 /nfs/dbraw/zinc/53/35/67/1038533567.db2.gz AMDVBDNZAVTVDO-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OCC ZINC000538797317 1038533574 /nfs/dbraw/zinc/53/35/74/1038533574.db2.gz AMDVBDNZAVTVDO-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)CCC3)cc1 ZINC000643516335 1038611558 /nfs/dbraw/zinc/61/15/58/1038611558.db2.gz CIIRBRKASJXGAN-CVEARBPZSA-N 2 1 343.496 3.523 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000539061401 1038661393 /nfs/dbraw/zinc/66/13/93/1038661393.db2.gz LXWPQYFJTSJMRD-SOUVJXGZSA-N 2 1 342.936 3.820 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000539045483 1038663373 /nfs/dbraw/zinc/66/33/73/1038663373.db2.gz AJSLJLSXJWWVTB-GIGYVVOSSA-N 3 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045483 1038663378 /nfs/dbraw/zinc/66/33/78/1038663378.db2.gz AJSLJLSXJWWVTB-GIGYVVOSSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045483 1038663381 /nfs/dbraw/zinc/66/33/81/1038663381.db2.gz AJSLJLSXJWWVTB-GIGYVVOSSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045483 1038663383 /nfs/dbraw/zinc/66/33/83/1038663383.db2.gz AJSLJLSXJWWVTB-GIGYVVOSSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045483 1038663386 /nfs/dbraw/zinc/66/33/86/1038663386.db2.gz AJSLJLSXJWWVTB-GIGYVVOSSA-N 2 1 343.559 3.605 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c[nH]c21 ZINC000552047425 1038913475 /nfs/dbraw/zinc/91/34/75/1038913475.db2.gz MESZZJGAMPRGCX-ZCNNSNEGSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000477924950 1039035503 /nfs/dbraw/zinc/03/55/03/1039035503.db2.gz AXCQMSOXUFKSBT-SFHVURJKSA-N 2 1 340.515 3.704 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000552248386 1039089224 /nfs/dbraw/zinc/08/92/24/1039089224.db2.gz FKKROQPWYKHPDK-BHYGNILZSA-N 2 1 326.406 3.710 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000552248388 1039089721 /nfs/dbraw/zinc/08/97/21/1039089721.db2.gz FKKROQPWYKHPDK-PVAVHDDUSA-N 2 1 326.406 3.710 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(C)(C)C)c1 ZINC000660116366 1039218225 /nfs/dbraw/zinc/21/82/25/1039218225.db2.gz IBHOFKUPRXGPJT-AABGKKOBSA-N 2 1 330.516 3.668 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237351370 1039346134 /nfs/dbraw/zinc/34/61/34/1039346134.db2.gz ZMWYPZMFLPAUCA-KBAYOESNSA-N 2 1 329.488 3.517 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)c1 ZINC000554560749 1039475845 /nfs/dbraw/zinc/47/58/45/1039475845.db2.gz CGVDXMKRIPFGBI-WMZOPIPTSA-N 2 1 334.529 3.509 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)c1 ZINC000554560749 1039475855 /nfs/dbraw/zinc/47/58/55/1039475855.db2.gz CGVDXMKRIPFGBI-WMZOPIPTSA-N 2 1 334.529 3.509 20 0 EHADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(F)cn1 ZINC000345059239 1039609715 /nfs/dbraw/zinc/60/97/15/1039609715.db2.gz OCAIQVVVOMOFDB-KRWDZBQOSA-N 2 1 328.435 3.634 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000552922973 1039641803 /nfs/dbraw/zinc/64/18/03/1039641803.db2.gz CLYIBMJDGNRQNA-NMIHRBCNSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000552922973 1039641811 /nfs/dbraw/zinc/64/18/11/1039641811.db2.gz CLYIBMJDGNRQNA-NMIHRBCNSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000480749527 1039971920 /nfs/dbraw/zinc/97/19/20/1039971920.db2.gz OQENWDUSTNXWJC-PGRDOPGGSA-N 2 1 338.495 3.833 20 0 EHADMP C[NH+]1CCC([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480752595 1039974400 /nfs/dbraw/zinc/97/44/00/1039974400.db2.gz AFEMIPGWUXFYLK-INIZCTEOSA-N 2 1 341.268 3.723 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095030 1040076947 /nfs/dbraw/zinc/07/69/47/1040076947.db2.gz OGFKPPVTARUQLR-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095030 1040076963 /nfs/dbraw/zinc/07/69/63/1040076963.db2.gz OGFKPPVTARUQLR-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095030 1040076979 /nfs/dbraw/zinc/07/69/79/1040076979.db2.gz OGFKPPVTARUQLR-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095030 1040076995 /nfs/dbraw/zinc/07/69/95/1040076995.db2.gz OGFKPPVTARUQLR-DZGCQCFKSA-N 2 1 335.904 3.866 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667786523 1040191748 /nfs/dbraw/zinc/19/17/48/1040191748.db2.gz SYZYSJGPZRXQFC-CZAAIQMYSA-N 2 1 328.500 3.718 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447538 1040269852 /nfs/dbraw/zinc/26/98/52/1040269852.db2.gz QATPSYVVNISKPF-NVXWUHKLSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447538 1040269874 /nfs/dbraw/zinc/26/98/74/1040269874.db2.gz QATPSYVVNISKPF-NVXWUHKLSA-N 2 1 329.875 3.908 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000481027574 1040289471 /nfs/dbraw/zinc/28/94/71/1040289471.db2.gz WCOCGHZZJFSKFM-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000486646190 1040304414 /nfs/dbraw/zinc/30/44/14/1040304414.db2.gz RNPIWVFZUNBUSR-FZKQIMNGSA-N 2 1 347.409 3.675 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512673990 1040485843 /nfs/dbraw/zinc/48/58/43/1040485843.db2.gz UMXPZAQIVLLWIU-JRGCBEDISA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512673990 1040485854 /nfs/dbraw/zinc/48/58/54/1040485854.db2.gz UMXPZAQIVLLWIU-JRGCBEDISA-N 2 1 339.458 3.611 20 0 EHADMP CC(C)C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000668694002 1040489414 /nfs/dbraw/zinc/48/94/14/1040489414.db2.gz XSKQGVWPWNCTRI-TZIWHRDSSA-N 2 1 330.516 3.659 20 0 EHADMP CCCC1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000500116873 1040539710 /nfs/dbraw/zinc/53/97/10/1040539710.db2.gz ZIZOAJOOYALVET-UHFFFAOYSA-N 2 1 330.516 3.967 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000490404498 1040546264 /nfs/dbraw/zinc/54/62/64/1040546264.db2.gz SLWLTQUZHAORSU-YJMBLLCNSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404498 1040546280 /nfs/dbraw/zinc/54/62/80/1040546280.db2.gz SLWLTQUZHAORSU-YJMBLLCNSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404498 1040546297 /nfs/dbraw/zinc/54/62/97/1040546297.db2.gz SLWLTQUZHAORSU-YJMBLLCNSA-N 2 1 342.527 3.788 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)c1O ZINC000500122660 1040559897 /nfs/dbraw/zinc/55/98/97/1040559897.db2.gz ORUNNNHSCHHVAL-AWEZNQCLSA-N 2 1 340.895 3.798 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc(Cl)c1O ZINC000500122660 1040559918 /nfs/dbraw/zinc/55/99/18/1040559918.db2.gz ORUNNNHSCHHVAL-AWEZNQCLSA-N 2 1 340.895 3.798 20 0 EHADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@H]1c1cccs1 ZINC000364258235 1040596552 /nfs/dbraw/zinc/59/65/52/1040596552.db2.gz HIVQXESURCIDED-YOEHRIQHSA-N 2 1 328.485 3.767 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC[C@H]4CCCCO4)C3)CC2)cc1 ZINC000433119252 1040781248 /nfs/dbraw/zinc/78/12/48/1040781248.db2.gz FMNNHXJHZAZIII-OAQYLSRUSA-N 2 1 342.527 3.934 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282907700 1040787847 /nfs/dbraw/zinc/78/78/47/1040787847.db2.gz XDNGHIMVBVGATM-CEWLAPEOSA-N 2 1 342.527 3.836 20 0 EHADMP CN1CC[C@@H](C[N@@H+](C)[C@H]2C[C@H]2c2cccc(F)c2)[C@@H]1c1cccnc1 ZINC000411587025 1041002391 /nfs/dbraw/zinc/00/23/91/1041002391.db2.gz WLGJEECSUMTQLY-VMXMFDLUSA-N 2 1 339.458 3.701 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CCCCC2)cc1 ZINC000481556233 1041066870 /nfs/dbraw/zinc/06/68/70/1041066870.db2.gz JEHVFFDWYZJWNI-IEBWSBKVSA-N 2 1 330.516 3.969 20 0 EHADMP Cc1ccc(Cl)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145180 1041144854 /nfs/dbraw/zinc/14/48/54/1041144854.db2.gz MWHGTNNRRUJQOZ-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cs1 ZINC000193969036 1041182885 /nfs/dbraw/zinc/18/28/85/1041182885.db2.gz MGOCAKDZLUFOCL-QWRGUYRKSA-N 2 1 329.307 3.646 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCc2ccc(Cl)cc2)C1 ZINC000652361928 1042419734 /nfs/dbraw/zinc/41/97/34/1042419734.db2.gz SUIZSCPMJMCWLJ-QYZOEREBSA-N 2 1 336.907 3.633 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000164681423 1042440504 /nfs/dbraw/zinc/44/05/04/1042440504.db2.gz UDPNUUTVTKNXBC-KRWDZBQOSA-N 2 1 337.471 3.567 20 0 EHADMP Cc1ccc(C[C@H](C(C)C)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925748384 1042475311 /nfs/dbraw/zinc/47/53/11/1042475311.db2.gz PTDWYHIHFOTHCU-QGZVFWFLSA-N 2 1 329.513 3.536 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662212857 1042605752 /nfs/dbraw/zinc/60/57/52/1042605752.db2.gz QSJFGCQKICEPFB-UHFFFAOYSA-N 2 1 337.467 3.912 20 0 EHADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cc2ccccc2o1 ZINC000662254424 1042638160 /nfs/dbraw/zinc/63/81/60/1042638160.db2.gz QOKXOLJAXMMQCY-NVXWUHKLSA-N 2 1 328.456 3.727 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263440 1042641691 /nfs/dbraw/zinc/64/16/91/1042641691.db2.gz BHOLYCUBBJYTHP-CJNGLKHVSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263440 1042641695 /nfs/dbraw/zinc/64/16/95/1042641695.db2.gz BHOLYCUBBJYTHP-CJNGLKHVSA-N 2 1 326.456 3.521 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291994 1042665161 /nfs/dbraw/zinc/66/51/61/1042665161.db2.gz BOZFSMFGOFCXDZ-MRXNPFEDSA-N 2 1 345.512 3.923 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cc(Br)ccc1F ZINC000221920240 1042713985 /nfs/dbraw/zinc/71/39/85/1042713985.db2.gz QJMRQZXZGVOUSE-GFCCVEGCSA-N 2 1 331.273 3.969 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602664207 1042725705 /nfs/dbraw/zinc/72/57/05/1042725705.db2.gz UUBUJRONQONVGG-PKOBYXMFSA-N 2 1 344.499 3.533 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602664207 1042725708 /nfs/dbraw/zinc/72/57/08/1042725708.db2.gz UUBUJRONQONVGG-PKOBYXMFSA-N 2 1 344.499 3.533 20 0 EHADMP COc1c(Cl)cc(Cl)cc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507171 1042778175 /nfs/dbraw/zinc/77/81/75/1042778175.db2.gz ULAJCZWYCFFSQI-GFCCVEGCSA-N 2 1 331.287 3.822 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000511988258 1042902997 /nfs/dbraw/zinc/90/29/97/1042902997.db2.gz HBAMUXYTMCCCID-SRVKXCTJSA-N 2 1 331.323 3.952 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Br ZINC000511988258 1042903002 /nfs/dbraw/zinc/90/30/02/1042903002.db2.gz HBAMUXYTMCCCID-SRVKXCTJSA-N 2 1 331.323 3.952 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465227 1042884188 /nfs/dbraw/zinc/88/41/88/1042884188.db2.gz IRIXPZQMMJHNDS-APWZRJJASA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465227 1042884193 /nfs/dbraw/zinc/88/41/93/1042884193.db2.gz IRIXPZQMMJHNDS-APWZRJJASA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465229 1042884482 /nfs/dbraw/zinc/88/44/82/1042884482.db2.gz IRIXPZQMMJHNDS-LPHOPBHVSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465229 1042884487 /nfs/dbraw/zinc/88/44/87/1042884487.db2.gz IRIXPZQMMJHNDS-LPHOPBHVSA-N 2 1 336.907 3.739 20 0 EHADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464068 1042886885 /nfs/dbraw/zinc/88/68/85/1042886885.db2.gz BWBJZVSOLZSVNM-IEBWSBKVSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464068 1042886894 /nfs/dbraw/zinc/88/68/94/1042886894.db2.gz BWBJZVSOLZSVNM-IEBWSBKVSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464068 1042886897 /nfs/dbraw/zinc/88/68/97/1042886897.db2.gz BWBJZVSOLZSVNM-IEBWSBKVSA-N 2 1 338.499 3.645 20 0 EHADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466174 1042887357 /nfs/dbraw/zinc/88/73/57/1042887357.db2.gz OWAQJKWQFWJQJP-FXAWDEMLSA-N 2 1 328.500 3.784 20 0 EHADMP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467262 1042888789 /nfs/dbraw/zinc/88/87/89/1042888789.db2.gz ZTBZAZDSPUEIMI-JSOIOWGOSA-N 2 1 334.548 3.968 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000663467219 1042890933 /nfs/dbraw/zinc/89/09/33/1042890933.db2.gz DSJZFQSCDGFUOV-MJGOQNOKSA-N 2 1 346.515 3.867 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467604 1042895321 /nfs/dbraw/zinc/89/53/21/1042895321.db2.gz GWYRRQBPQPMOOT-KAGYGMCKSA-N 2 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663467604 1042895326 /nfs/dbraw/zinc/89/53/26/1042895326.db2.gz GWYRRQBPQPMOOT-KAGYGMCKSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467604 1042895332 /nfs/dbraw/zinc/89/53/32/1042895332.db2.gz GWYRRQBPQPMOOT-KAGYGMCKSA-N 3 1 347.591 3.741 20 0 EHADMP c1ccc([C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c2ccccn2)cc1 ZINC000663471757 1042900407 /nfs/dbraw/zinc/90/04/07/1042900407.db2.gz XVCMPGQUPJUXDC-SIKLNZKXSA-N 2 1 335.495 3.883 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663471844 1042902679 /nfs/dbraw/zinc/90/26/79/1042902679.db2.gz YRJNTGODKYEFOM-LMMKCTJWSA-N 2 1 330.516 3.899 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC001167835837 1043038715 /nfs/dbraw/zinc/03/87/15/1043038715.db2.gz UKZGGAGBDLDYSB-IHPCNDPISA-N 2 1 346.515 3.733 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001167838789 1043051827 /nfs/dbraw/zinc/05/18/27/1043051827.db2.gz WQJNHLVUHZGLAE-WOJBJXKFSA-N 2 1 331.548 3.876 20 0 EHADMP Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278982182 1043123300 /nfs/dbraw/zinc/12/33/00/1043123300.db2.gz PAHBUAAYGKJMLC-CZUORRHYSA-N 2 1 331.847 3.602 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432424584 1043163456 /nfs/dbraw/zinc/16/34/56/1043163456.db2.gz PHDUGEXESDKCQR-QUCCMNQESA-N 2 1 346.515 3.608 20 0 EHADMP C[C@H](O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000658359548 1043173856 /nfs/dbraw/zinc/17/38/56/1043173856.db2.gz DPQJYXNAHBWUHC-SEONNTABSA-N 2 1 330.516 3.741 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512150231 1043471796 /nfs/dbraw/zinc/47/17/96/1043471796.db2.gz VIVYWDVJLQGEHR-IRLDBZIGSA-N 2 1 343.559 3.876 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1C ZINC000344574242 1044134857 /nfs/dbraw/zinc/13/48/57/1044134857.db2.gz CGXDLPDGIDTHDF-BQFCYCMXSA-N 2 1 331.504 3.544 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000512290752 1044560053 /nfs/dbraw/zinc/56/00/53/1044560053.db2.gz AIWKLJJTICXQAQ-NRFANRHFSA-N 2 1 343.559 3.705 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCCO4)[C@@H]3C2)cc1 ZINC000512297691 1044562567 /nfs/dbraw/zinc/56/25/67/1044562567.db2.gz ZXOPCKLLCMJFES-KJJMTIBFSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000153869113 1125669650 /nfs/dbraw/zinc/66/96/50/1125669650.db2.gz BNQCRYYFGJVTEJ-CMKODMSKSA-N 2 1 331.548 3.826 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000154546435 1125728744 /nfs/dbraw/zinc/72/87/44/1125728744.db2.gz MFMLGAZOZCZLFR-GOSISDBHSA-N 2 1 335.511 3.511 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192090901 1126775124 /nfs/dbraw/zinc/77/51/24/1126775124.db2.gz ZKQNHLCSAJFPGM-IRXDYDNUSA-N 2 1 328.859 3.631 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671240694 1126816373 /nfs/dbraw/zinc/81/63/73/1126816373.db2.gz LFHYSVQVIGPXLZ-MRXNPFEDSA-N 2 1 342.487 3.850 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671240694 1126816376 /nfs/dbraw/zinc/81/63/76/1126816376.db2.gz LFHYSVQVIGPXLZ-MRXNPFEDSA-N 2 1 342.487 3.850 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358832 1126929932 /nfs/dbraw/zinc/92/99/32/1126929932.db2.gz UEOPHZGMWNCUNN-XJKSGUPXSA-N 2 1 339.321 3.843 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(OCc3ccccn3)cc2)CC1(C)C ZINC000623363418 1126932839 /nfs/dbraw/zinc/93/28/39/1126932839.db2.gz SYIZEYOOMCYUOH-SFHVURJKSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1(C)C ZINC000623363418 1126932842 /nfs/dbraw/zinc/93/28/42/1126932842.db2.gz SYIZEYOOMCYUOH-SFHVURJKSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccccc2OCC(F)(F)F)CC1(C)C ZINC000623370938 1126933041 /nfs/dbraw/zinc/93/30/41/1126933041.db2.gz FTBQXOVDBDMDRI-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC1(C)C ZINC000623370938 1126933044 /nfs/dbraw/zinc/93/30/44/1126933044.db2.gz FTBQXOVDBDMDRI-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC1(C)C ZINC000623370938 1126933047 /nfs/dbraw/zinc/93/30/47/1126933047.db2.gz FTBQXOVDBDMDRI-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528969 1126977205 /nfs/dbraw/zinc/97/72/05/1126977205.db2.gz OHJQHGIKAVFSQD-RTWAWAEBSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528969 1126977207 /nfs/dbraw/zinc/97/72/07/1126977207.db2.gz OHJQHGIKAVFSQD-RTWAWAEBSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528969 1126977209 /nfs/dbraw/zinc/97/72/09/1126977209.db2.gz OHJQHGIKAVFSQD-RTWAWAEBSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528969 1126977210 /nfs/dbraw/zinc/97/72/10/1126977210.db2.gz OHJQHGIKAVFSQD-RTWAWAEBSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528969 1126977213 /nfs/dbraw/zinc/97/72/13/1126977213.db2.gz OHJQHGIKAVFSQD-RTWAWAEBSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528969 1126977215 /nfs/dbraw/zinc/97/72/15/1126977215.db2.gz OHJQHGIKAVFSQD-RTWAWAEBSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528969 1126977216 /nfs/dbraw/zinc/97/72/16/1126977216.db2.gz OHJQHGIKAVFSQD-RTWAWAEBSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623561873 1126986536 /nfs/dbraw/zinc/98/65/36/1126986536.db2.gz AJBTZXNOCXPWTQ-CVEARBPZSA-N 2 1 335.923 3.629 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2o1 ZINC000178040984 1127005060 /nfs/dbraw/zinc/00/50/60/1127005060.db2.gz IYJAZFGFMHPFON-BBWFWOEESA-N 2 1 330.472 3.973 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000181263808 1127271901 /nfs/dbraw/zinc/27/19/01/1127271901.db2.gz ZOMUXOFRVRDJMG-RBSFLKMASA-N 2 1 344.421 3.935 20 0 EHADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354172359 1127273423 /nfs/dbraw/zinc/27/34/23/1127273423.db2.gz PBSSLLSDINNTIO-AYHJJNSGSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354172359 1127273426 /nfs/dbraw/zinc/27/34/26/1127273426.db2.gz PBSSLLSDINNTIO-AYHJJNSGSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181857938 1127299660 /nfs/dbraw/zinc/29/96/60/1127299660.db2.gz YXWFEEOMKMXFJN-QGZVFWFLSA-N 2 1 326.488 3.923 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1Br ZINC000182113247 1127312339 /nfs/dbraw/zinc/31/23/39/1127312339.db2.gz FPZWXYJFFJPJKY-OCCSQVGLSA-N 2 1 341.293 3.593 20 0 EHADMP C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673742 1127429377 /nfs/dbraw/zinc/42/93/77/1127429377.db2.gz UYKGCXPGBRRMTR-IAGOWNOFSA-N 2 1 338.536 3.741 20 0 EHADMP O=C(CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421624 1127508977 /nfs/dbraw/zinc/50/89/77/1127508977.db2.gz BPPALTHWWPLUFW-FGZHOGPDSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421624 1127508979 /nfs/dbraw/zinc/50/89/79/1127508979.db2.gz BPPALTHWWPLUFW-FGZHOGPDSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421624 1127508980 /nfs/dbraw/zinc/50/89/80/1127508980.db2.gz BPPALTHWWPLUFW-FGZHOGPDSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421624 1127508982 /nfs/dbraw/zinc/50/89/82/1127508982.db2.gz BPPALTHWWPLUFW-FGZHOGPDSA-N 2 1 348.490 3.713 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cnn1-c1ccccc1 ZINC000764641150 1127517343 /nfs/dbraw/zinc/51/73/43/1127517343.db2.gz MRQDIFQOIVEPBR-SFHVURJKSA-N 2 1 340.515 3.953 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000921512301 1127609809 /nfs/dbraw/zinc/60/98/09/1127609809.db2.gz KPBSDIUIZDQQMF-UHFFFAOYSA-N 2 1 332.879 3.511 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000765516135 1127634842 /nfs/dbraw/zinc/63/48/42/1127634842.db2.gz SPPTZVPOAMKQGO-CVEARBPZSA-N 2 1 325.456 3.695 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000058061158 1128063226 /nfs/dbraw/zinc/06/32/26/1128063226.db2.gz WGZVECAYEHXYGE-LBPRGKRZSA-N 2 1 332.822 3.761 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000058061158 1128063231 /nfs/dbraw/zinc/06/32/31/1128063231.db2.gz WGZVECAYEHXYGE-LBPRGKRZSA-N 2 1 332.822 3.761 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)oc1C ZINC000282206556 1128073381 /nfs/dbraw/zinc/07/33/81/1128073381.db2.gz OFMLHCPTOHPJAY-CQSZACIVSA-N 2 1 328.460 3.623 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000347552807 1128074466 /nfs/dbraw/zinc/07/44/66/1128074466.db2.gz CQFVGYZSEBSJMK-KRWDZBQOSA-N 2 1 329.463 3.971 20 0 EHADMP C[C@@H]1CCCN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000671741316 1128178387 /nfs/dbraw/zinc/17/83/87/1128178387.db2.gz OQHIZSHMGRGSLS-JSRJAPPDSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000671743317 1128183886 /nfs/dbraw/zinc/18/38/86/1128183886.db2.gz METCMOBLFQGVKH-KNTRFNDTSA-N 2 1 347.934 3.629 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168602835 1128283853 /nfs/dbraw/zinc/28/38/53/1128283853.db2.gz VMTQAGKEZFWDSE-UNJWAJPSSA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168602835 1128283850 /nfs/dbraw/zinc/28/38/50/1128283850.db2.gz VMTQAGKEZFWDSE-UNJWAJPSSA-N 2 1 344.499 3.520 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186365629 1128406962 /nfs/dbraw/zinc/40/69/62/1128406962.db2.gz SEEVGXIARJIXFM-QGZVFWFLSA-N 2 1 346.515 3.933 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OCC(C)C ZINC000623654569 1128448587 /nfs/dbraw/zinc/44/85/87/1128448587.db2.gz CQQJDZFKJVMPPM-SFHVURJKSA-N 2 1 334.504 3.552 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168673950 1128781440 /nfs/dbraw/zinc/78/14/40/1128781440.db2.gz UHALHQMBVIGYEX-UYAOXDASSA-N 2 1 334.504 3.579 20 0 EHADMP CC(C)OCCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001168679290 1128801212 /nfs/dbraw/zinc/80/12/12/1128801212.db2.gz JHRHJXAMHSOAHV-KRWDZBQOSA-N 2 1 330.476 3.578 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001648907139 1120065552 /nfs/dbraw/zinc/06/55/52/1120065552.db2.gz ZKFQGZJHCFQVNM-AXVVYFOYSA-N 2 1 330.516 3.509 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001648907139 1120065557 /nfs/dbraw/zinc/06/55/57/1120065557.db2.gz ZKFQGZJHCFQVNM-AXVVYFOYSA-N 2 1 330.516 3.509 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001648921082 1120200117 /nfs/dbraw/zinc/20/01/17/1120200117.db2.gz OZHGWCWCJBZLIV-SFHLNBCPSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001648921082 1120200121 /nfs/dbraw/zinc/20/01/21/1120200121.db2.gz OZHGWCWCJBZLIV-SFHLNBCPSA-N 2 1 343.559 3.607 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001648994570 1120338562 /nfs/dbraw/zinc/33/85/62/1120338562.db2.gz VKSHRRCJFNTBAO-HXUWFJFHSA-N 2 1 343.515 3.876 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000542482735 1120564863 /nfs/dbraw/zinc/56/48/63/1120564863.db2.gz AEMJDNHETCIULM-FTSHXLFYSA-N 2 1 342.527 3.692 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccccc2Cl)CC1 ZINC000191455215 1120674954 /nfs/dbraw/zinc/67/49/54/1120674954.db2.gz KJRBVCXJMDGRJJ-QGZVFWFLSA-N 2 1 337.939 3.749 20 0 EHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1C ZINC000191509320 1120676367 /nfs/dbraw/zinc/67/63/67/1120676367.db2.gz OLPKAGXRUCIKHY-QFIPXVFZSA-N 2 1 343.559 3.856 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000262337205 1120921303 /nfs/dbraw/zinc/92/13/03/1120921303.db2.gz ZMWYPZMFLPAUCA-BPQIPLTHSA-N 2 1 329.488 3.517 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000250217976 1120958069 /nfs/dbraw/zinc/95/80/69/1120958069.db2.gz PXOXLUPWOSLUJR-KSZLIROESA-N 2 1 349.316 3.523 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000495427878 1121193054 /nfs/dbraw/zinc/19/30/54/1121193054.db2.gz UHGNYVJMTNTRBV-QMMLZNLJSA-N 2 1 330.516 3.692 20 0 EHADMP CCSc1ccccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124395216 1122282983 /nfs/dbraw/zinc/28/29/83/1122282983.db2.gz DOHQBRGBYSSVHC-QGZVFWFLSA-N 2 1 349.588 3.723 20 0 EHADMP c1ccc(N2CCCCC2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000916836574 1122362750 /nfs/dbraw/zinc/36/27/50/1122362750.db2.gz IXJIMNXFJFKFEF-UHFFFAOYSA-N 2 1 327.516 3.641 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)ccc2n1C1CC1 ZINC000338793503 1129060062 /nfs/dbraw/zinc/06/00/62/1129060062.db2.gz WATXIWXMGJSVBU-RVKKMQEKSA-N 2 1 340.515 3.752 20 0 EHADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cccc(COc3ccccc3)c1)CC2 ZINC000922063693 1129070342 /nfs/dbraw/zinc/07/03/42/1129070342.db2.gz NJOCOKXKWNHOBQ-LJQANCHMSA-N 2 1 347.462 3.814 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498765887 1123061872 /nfs/dbraw/zinc/06/18/72/1123061872.db2.gz DPOYYJIBQFKSTJ-SFHLNBCPSA-N 2 1 340.515 3.552 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498837662 1123083815 /nfs/dbraw/zinc/08/38/15/1123083815.db2.gz LXMSKXUDEDCJAU-HXUWFJFHSA-N 2 1 330.516 3.818 20 0 EHADMP Cc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498837662 1123083819 /nfs/dbraw/zinc/08/38/19/1123083819.db2.gz LXMSKXUDEDCJAU-HXUWFJFHSA-N 2 1 330.516 3.818 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)CC1 ZINC000498842628 1123085095 /nfs/dbraw/zinc/08/50/95/1123085095.db2.gz ZPKJGKCOVWBLBI-HXUWFJFHSA-N 2 1 330.516 3.899 20 0 EHADMP Cc1c(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236213119 1123088819 /nfs/dbraw/zinc/08/88/19/1123088819.db2.gz AZCGLGIXWBWZOQ-JKSUJKDBSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1c(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC001236213119 1123088823 /nfs/dbraw/zinc/08/88/23/1123088823.db2.gz AZCGLGIXWBWZOQ-JKSUJKDBSA-N 2 1 325.294 3.768 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000556868150 1123159049 /nfs/dbraw/zinc/15/90/49/1123159049.db2.gz HWVOZESTEHZTPL-KQBGPCOYSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000556868150 1123159051 /nfs/dbraw/zinc/15/90/51/1123159051.db2.gz HWVOZESTEHZTPL-KQBGPCOYSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000556868150 1123159053 /nfs/dbraw/zinc/15/90/53/1123159053.db2.gz HWVOZESTEHZTPL-KQBGPCOYSA-N 2 1 328.500 3.652 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000136291797 1123683909 /nfs/dbraw/zinc/68/39/09/1123683909.db2.gz UUMAVULEHVFDDJ-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000136291797 1123683910 /nfs/dbraw/zinc/68/39/10/1123683910.db2.gz UUMAVULEHVFDDJ-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000245420672 1123821933 /nfs/dbraw/zinc/82/19/33/1123821933.db2.gz HPYXEPSPOKXXOW-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000245420672 1123821937 /nfs/dbraw/zinc/82/19/37/1123821937.db2.gz HPYXEPSPOKXXOW-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000245420672 1123821939 /nfs/dbraw/zinc/82/19/39/1123821939.db2.gz HPYXEPSPOKXXOW-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000246956191 1124571333 /nfs/dbraw/zinc/57/13/33/1124571333.db2.gz IJBPJAFPRGOQOS-SOUVJXGZSA-N 2 1 329.513 3.862 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247107129 1124589055 /nfs/dbraw/zinc/58/90/55/1124589055.db2.gz QHZOLQBAZUKGEY-GDBMZVCRSA-N 2 1 346.906 3.827 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2C)[C@@H](C)C1 ZINC000247138837 1124590546 /nfs/dbraw/zinc/59/05/46/1124590546.db2.gz WARBBUQKDVXPJU-FPOVZHCZSA-N 2 1 332.532 3.654 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889335 1124713613 /nfs/dbraw/zinc/71/36/13/1124713613.db2.gz RUBIBNJQSCAWBI-AEFFLSMTSA-N 2 1 336.495 3.677 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889335 1124713632 /nfs/dbraw/zinc/71/36/32/1124713632.db2.gz RUBIBNJQSCAWBI-AEFFLSMTSA-N 2 1 336.495 3.677 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)cn1 ZINC000181540613 1124920648 /nfs/dbraw/zinc/92/06/48/1124920648.db2.gz XMISCGNLPTWLJZ-ZWKOTPCHSA-N 2 1 342.487 3.505 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000091723118 1124996673 /nfs/dbraw/zinc/99/66/73/1124996673.db2.gz PFLZHYDFWDDIHL-IEBWSBKVSA-N 2 1 336.545 3.806 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770433 1125307453 /nfs/dbraw/zinc/30/74/53/1125307453.db2.gz SFBKIKGQEZXNBR-IBGZPJMESA-N 2 1 339.483 3.956 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770433 1125307456 /nfs/dbraw/zinc/30/74/56/1125307456.db2.gz SFBKIKGQEZXNBR-IBGZPJMESA-N 2 1 339.483 3.956 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770433 1125307459 /nfs/dbraw/zinc/30/74/59/1125307459.db2.gz SFBKIKGQEZXNBR-IBGZPJMESA-N 2 1 339.483 3.956 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770433 1125307462 /nfs/dbraw/zinc/30/74/62/1125307462.db2.gz SFBKIKGQEZXNBR-IBGZPJMESA-N 2 1 339.483 3.956 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000163132533 1125443017 /nfs/dbraw/zinc/44/30/17/1125443017.db2.gz XRKZMLFDBZAHHE-MGPUTAFESA-N 2 1 327.472 3.773 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C2CCOCC2)CC1 ZINC001168713472 1129359888 /nfs/dbraw/zinc/35/98/88/1129359888.db2.gz BVZBIXQGFJDRTK-JFIYKMOQSA-N 2 1 348.918 3.558 20 0 EHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C3CCC3)cc1)C2 ZINC000922388781 1129514824 /nfs/dbraw/zinc/51/48/24/1129514824.db2.gz FWFSEYSHSDVTRD-CZYKHXBRSA-N 2 1 342.527 3.523 20 0 EHADMP CCO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399668 1129856270 /nfs/dbraw/zinc/85/62/70/1129856270.db2.gz BLRLGEKQCVHZTF-WOJBJXKFSA-N 2 1 330.516 3.692 20 0 EHADMP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399668 1129856274 /nfs/dbraw/zinc/85/62/74/1129856274.db2.gz BLRLGEKQCVHZTF-WOJBJXKFSA-N 2 1 330.516 3.692 20 0 EHADMP CCn1c2ccccc2c2cc(C[NH2+]CCc3c[nH+]cn3C)ccc21 ZINC000401702506 1129896218 /nfs/dbraw/zinc/89/62/18/1129896218.db2.gz PPCHQQSYDNFNMD-UHFFFAOYSA-N 2 1 332.451 3.880 20 0 EHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cnn(-c2ccccc2)c1 ZINC000766044938 1129930324 /nfs/dbraw/zinc/93/03/24/1129930324.db2.gz NCZTYRXBBLFCPZ-APWZRJJASA-N 2 1 328.504 3.889 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067344 1129996331 /nfs/dbraw/zinc/99/63/31/1129996331.db2.gz IJAUTCMTIPLAFV-VQIMIIECSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067344 1129996334 /nfs/dbraw/zinc/99/63/34/1129996334.db2.gz IJAUTCMTIPLAFV-VQIMIIECSA-N 2 1 334.467 3.563 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000658094804 1130147463 /nfs/dbraw/zinc/14/74/63/1130147463.db2.gz AWYPFXGRNBWTCG-KBWCOIMZSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246100975 1130343782 /nfs/dbraw/zinc/34/37/82/1130343782.db2.gz BTUDGAVORZOMIG-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246100975 1130343788 /nfs/dbraw/zinc/34/37/88/1130343788.db2.gz BTUDGAVORZOMIG-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246100975 1130343793 /nfs/dbraw/zinc/34/37/93/1130343793.db2.gz BTUDGAVORZOMIG-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246100975 1130343797 /nfs/dbraw/zinc/34/37/97/1130343797.db2.gz BTUDGAVORZOMIG-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP Cc1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000675749714 1130469589 /nfs/dbraw/zinc/46/95/89/1130469589.db2.gz XVDQJWDCUIWORX-WMZOPIPTSA-N 2 1 329.513 3.637 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000675882014 1130501129 /nfs/dbraw/zinc/50/11/29/1130501129.db2.gz PEZOBJKMVPNCMV-YLJYHZDGSA-N 2 1 330.516 3.586 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000285541504 1130625998 /nfs/dbraw/zinc/62/59/98/1130625998.db2.gz GAGGZZZYVPJBQF-BRWVUGGUSA-N 2 1 326.488 3.738 20 0 EHADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000732266451 1130906865 /nfs/dbraw/zinc/90/68/65/1130906865.db2.gz CSESSBXOKMCUOJ-UHFFFAOYSA-N 2 1 331.504 3.733 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037888 1131133533 /nfs/dbraw/zinc/13/35/33/1131133533.db2.gz BNMQYDYRJBQQSG-OAHLLOKOSA-N 2 1 345.314 3.662 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037888 1131133537 /nfs/dbraw/zinc/13/35/37/1131133537.db2.gz BNMQYDYRJBQQSG-OAHLLOKOSA-N 2 1 345.314 3.662 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037888 1131133538 /nfs/dbraw/zinc/13/35/38/1131133538.db2.gz BNMQYDYRJBQQSG-OAHLLOKOSA-N 2 1 345.314 3.662 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348037888 1131133541 /nfs/dbraw/zinc/13/35/41/1131133541.db2.gz BNMQYDYRJBQQSG-OAHLLOKOSA-N 2 1 345.314 3.662 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885048 1131554268 /nfs/dbraw/zinc/55/42/68/1131554268.db2.gz YKHBLPNOHOJNAH-QAPCUYQASA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885048 1131554273 /nfs/dbraw/zinc/55/42/73/1131554273.db2.gz YKHBLPNOHOJNAH-QAPCUYQASA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885048 1131554279 /nfs/dbraw/zinc/55/42/79/1131554279.db2.gz YKHBLPNOHOJNAH-QAPCUYQASA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885048 1131554281 /nfs/dbraw/zinc/55/42/81/1131554281.db2.gz YKHBLPNOHOJNAH-QAPCUYQASA-N 2 1 342.483 3.714 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172469816 1131733218 /nfs/dbraw/zinc/73/32/18/1131733218.db2.gz USEUQWAVZQYDRY-IRFCIJBXSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172469816 1131733222 /nfs/dbraw/zinc/73/32/22/1131733222.db2.gz USEUQWAVZQYDRY-IRFCIJBXSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172464409 1131753039 /nfs/dbraw/zinc/75/30/39/1131753039.db2.gz LFXJPICDCAZBBA-IBGZPJMESA-N 2 1 332.532 3.734 20 0 EHADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576729 1131771996 /nfs/dbraw/zinc/77/19/96/1131771996.db2.gz PHJLZMBWHKONSC-JTQLQIEISA-N 2 1 327.806 3.818 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172567282 1131775243 /nfs/dbraw/zinc/77/52/43/1131775243.db2.gz JDJQDQCXQKKFAI-CHWSQXEVSA-N 2 1 330.850 3.871 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172575567 1131779218 /nfs/dbraw/zinc/77/92/18/1131779218.db2.gz JDJQDQCXQKKFAI-OLZOCXBDSA-N 2 1 330.850 3.871 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172747689 1131830798 /nfs/dbraw/zinc/83/07/98/1131830798.db2.gz AQZHZSYGCBJRRC-WSTZPKSXSA-N 2 1 346.515 3.749 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172747689 1131830805 /nfs/dbraw/zinc/83/08/05/1131830805.db2.gz AQZHZSYGCBJRRC-WSTZPKSXSA-N 2 1 346.515 3.749 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@H](OC)C2)CC1 ZINC001172939378 1131912995 /nfs/dbraw/zinc/91/29/95/1131912995.db2.gz OYBVYGIEDSHQCI-SFTDATJTSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173084440 1131962235 /nfs/dbraw/zinc/96/22/35/1131962235.db2.gz BPRNDUHXWAJQMQ-WMLDXEAASA-N 2 1 342.405 3.544 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001173084440 1131962242 /nfs/dbraw/zinc/96/22/42/1131962242.db2.gz BPRNDUHXWAJQMQ-WMLDXEAASA-N 2 1 342.405 3.544 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173084442 1131963386 /nfs/dbraw/zinc/96/33/86/1131963386.db2.gz BPRNDUHXWAJQMQ-YOEHRIQHSA-N 2 1 342.405 3.544 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001173084442 1131963389 /nfs/dbraw/zinc/96/33/89/1131963389.db2.gz BPRNDUHXWAJQMQ-YOEHRIQHSA-N 2 1 342.405 3.544 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001173112196 1131970115 /nfs/dbraw/zinc/97/01/15/1131970115.db2.gz SLDKFDCVVPIQAF-CTWPCTMYSA-N 2 1 346.515 3.801 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC001173117432 1131973234 /nfs/dbraw/zinc/97/32/34/1131973234.db2.gz LHQBLZURJUGXLA-IVCWUUCSSA-N 2 1 341.543 3.708 20 0 EHADMP CC1([NH2+][C@H]2CCc3ncsc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001173133435 1131977793 /nfs/dbraw/zinc/97/77/93/1131977793.db2.gz WVIGMGOEYHTZHL-KRWDZBQOSA-N 2 1 341.524 3.645 20 0 EHADMP Fc1cc2c(cc1F)CC([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001173476415 1132074145 /nfs/dbraw/zinc/07/41/45/1132074145.db2.gz ZRGHIPCCLMTACB-MRXNPFEDSA-N 2 1 342.433 3.544 20 0 EHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccccc3C[NH+](C)C)c2C1 ZINC001173929180 1132187821 /nfs/dbraw/zinc/18/78/21/1132187821.db2.gz YRWSLILGVIOVLJ-UHFFFAOYSA-N 2 1 344.528 3.904 20 0 EHADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1c1ccccc1 ZINC000766331026 1132240172 /nfs/dbraw/zinc/24/01/72/1132240172.db2.gz ZHIYKJKNCUEWPP-QHAWAJNXSA-N 2 1 342.527 3.802 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382352 1132505367 /nfs/dbraw/zinc/50/53/67/1132505367.db2.gz LLHFRNQWQQWPMM-QGZVFWFLSA-N 2 1 341.524 3.992 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382352 1132505373 /nfs/dbraw/zinc/50/53/73/1132505373.db2.gz LLHFRNQWQQWPMM-QGZVFWFLSA-N 2 1 341.524 3.992 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382352 1132505379 /nfs/dbraw/zinc/50/53/79/1132505379.db2.gz LLHFRNQWQQWPMM-QGZVFWFLSA-N 2 1 341.524 3.992 20 0 EHADMP CCOC(=O)[C@H](CC(C)C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062419 1132538888 /nfs/dbraw/zinc/53/88/88/1132538888.db2.gz PSMCBLGQNIJNHG-IBGZPJMESA-N 2 1 334.504 3.548 20 0 EHADMP CCOC(=O)[C@H](CC(C)C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062419 1132538892 /nfs/dbraw/zinc/53/88/92/1132538892.db2.gz PSMCBLGQNIJNHG-IBGZPJMESA-N 2 1 334.504 3.548 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766536173 1132600158 /nfs/dbraw/zinc/60/01/58/1132600158.db2.gz ILFVUVBSSALMLK-OXQOHEQNSA-N 2 1 341.499 3.867 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766536173 1132600162 /nfs/dbraw/zinc/60/01/62/1132600162.db2.gz ILFVUVBSSALMLK-OXQOHEQNSA-N 2 1 341.499 3.867 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCCCCC1)C2 ZINC001169089250 1132660355 /nfs/dbraw/zinc/66/03/55/1132660355.db2.gz ACMCARLCXBZRFY-ACDBMABISA-N 2 1 327.516 3.782 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C3(C(F)(F)F)N=N3)cc1)C2 ZINC001169107810 1132669923 /nfs/dbraw/zinc/66/99/23/1132669923.db2.gz KNXXKALRQAJPQY-QDMKHBRRSA-N 2 1 338.377 3.582 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169111155 1132671133 /nfs/dbraw/zinc/67/11/33/1132671133.db2.gz NUFXMVOKQCOLQM-SJWGOKEGSA-N 2 1 337.305 3.595 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115729 1132672340 /nfs/dbraw/zinc/67/23/40/1132672340.db2.gz NPOGNHWPLOIWFV-WCXIOVBPSA-N 2 1 339.405 3.766 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccncc2C(F)(F)F)C2CC2)CC1 ZINC001169241351 1132707772 /nfs/dbraw/zinc/70/77/72/1132707772.db2.gz VYNHGLBFMBGFBM-MRXNPFEDSA-N 2 1 327.394 3.625 20 0 EHADMP C[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206005556 1132708847 /nfs/dbraw/zinc/70/88/47/1132708847.db2.gz YQGRJOAQSCYZSY-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206005556 1132708852 /nfs/dbraw/zinc/70/88/52/1132708852.db2.gz YQGRJOAQSCYZSY-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc(OC(F)F)c1 ZINC001175688271 1132738582 /nfs/dbraw/zinc/73/85/82/1132738582.db2.gz OHVONIGXUMPWSG-UHFFFAOYSA-N 2 1 326.431 3.986 20 0 EHADMP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC001175759692 1132759097 /nfs/dbraw/zinc/75/90/97/1132759097.db2.gz ZHDAZWVEDBCSSJ-HXUWFJFHSA-N 2 1 330.516 3.841 20 0 EHADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169453254 1132760249 /nfs/dbraw/zinc/76/02/49/1132760249.db2.gz YQYFKURKQCPIIS-LNLFQRSKSA-N 2 1 337.552 3.538 20 0 EHADMP Cc1ccccc1-n1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC001177294928 1133047511 /nfs/dbraw/zinc/04/75/11/1133047511.db2.gz SHFAFCJKNFGURH-HDICACEKSA-N 2 1 340.515 3.638 20 0 EHADMP Cc1ccccc1-n1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC001177294928 1133047518 /nfs/dbraw/zinc/04/75/18/1133047518.db2.gz SHFAFCJKNFGURH-HDICACEKSA-N 2 1 340.515 3.638 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001177459514 1133065300 /nfs/dbraw/zinc/06/53/00/1133065300.db2.gz RGKZEXMGMSWJDT-ZSYWTGECSA-N 2 1 332.532 3.972 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001177459514 1133065306 /nfs/dbraw/zinc/06/53/06/1133065306.db2.gz RGKZEXMGMSWJDT-ZSYWTGECSA-N 2 1 332.532 3.972 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000067691307 1133068167 /nfs/dbraw/zinc/06/81/67/1133068167.db2.gz LIQOOJXKEBHKGA-SFHVURJKSA-N 2 1 326.488 3.617 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000768160833 1133102437 /nfs/dbraw/zinc/10/24/37/1133102437.db2.gz SPHAIAHPGDAQAZ-UHFFFAOYSA-N 2 1 334.410 3.982 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOc2ccccc2Cl)cc1 ZINC000768213280 1133113818 /nfs/dbraw/zinc/11/38/18/1133113818.db2.gz POZZNBGPAWFNQN-UHFFFAOYSA-N 2 1 332.875 3.912 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001206311849 1133119053 /nfs/dbraw/zinc/11/90/53/1133119053.db2.gz VWHJNOPAJGDXGF-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001206311849 1133119057 /nfs/dbraw/zinc/11/90/57/1133119057.db2.gz VWHJNOPAJGDXGF-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP CC[C@@H]1C[C@@H](C[NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CCO1 ZINC001178350934 1133158156 /nfs/dbraw/zinc/15/81/56/1133158156.db2.gz KSOSFLBFGBBHQY-LAUBAEHRSA-N 2 1 345.531 3.834 20 0 EHADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CCCC(C)(C)C2)c2ccccn21 ZINC001178581065 1133178706 /nfs/dbraw/zinc/17/87/06/1133178706.db2.gz CWKVVFRGFXPIPR-UHFFFAOYSA-N 2 1 328.504 3.669 20 0 EHADMP CC(C)c1[nH+]c(CNCC[N@H+]2CCCC(C)(C)C2)c2ccccn21 ZINC001178581065 1133178709 /nfs/dbraw/zinc/17/87/09/1133178709.db2.gz CWKVVFRGFXPIPR-UHFFFAOYSA-N 2 1 328.504 3.669 20 0 EHADMP CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001179316417 1133243951 /nfs/dbraw/zinc/24/39/51/1133243951.db2.gz UYJOWBPVPTUMSI-SFHVURJKSA-N 2 1 336.483 3.750 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000769499862 1133302169 /nfs/dbraw/zinc/30/21/69/1133302169.db2.gz RSFHODBNKHBJGV-HXUWFJFHSA-N 2 1 341.543 3.985 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000769499862 1133302172 /nfs/dbraw/zinc/30/21/72/1133302172.db2.gz RSFHODBNKHBJGV-HXUWFJFHSA-N 2 1 341.543 3.985 20 0 EHADMP CC1CC[NH+](CCc2cccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000774304759 1133655099 /nfs/dbraw/zinc/65/50/99/1133655099.db2.gz YGGRMNSPLSWVLC-FRIKZZABSA-N 2 1 341.543 3.998 20 0 EHADMP C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001182463069 1133681498 /nfs/dbraw/zinc/68/14/98/1133681498.db2.gz STWXWHNQBAIKLS-YUXAGFNASA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H](c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1)[NH+](C)C ZINC000785578831 1133729365 /nfs/dbraw/zinc/72/93/65/1133729365.db2.gz CPFDBDJIZCLOPV-HNNXBMFYSA-N 2 1 328.460 3.591 20 0 EHADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001183095262 1133768194 /nfs/dbraw/zinc/76/81/94/1133768194.db2.gz NVJMBSWSGNUPDS-CEXWTWQISA-N 2 1 334.548 3.824 20 0 EHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001183511825 1133821090 /nfs/dbraw/zinc/82/10/90/1133821090.db2.gz SVOBEFZTTVXNNR-UHFFFAOYSA-N 2 1 326.488 3.775 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001183511825 1133821094 /nfs/dbraw/zinc/82/10/94/1133821094.db2.gz SVOBEFZTTVXNNR-UHFFFAOYSA-N 2 1 326.488 3.775 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(C)cc1Br ZINC001205296323 1133935693 /nfs/dbraw/zinc/93/56/93/1133935693.db2.gz MEFZXPSHOVEMIF-MRXNPFEDSA-N 2 1 325.294 3.769 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)cc1Br ZINC001205296323 1133935695 /nfs/dbraw/zinc/93/56/95/1133935695.db2.gz MEFZXPSHOVEMIF-MRXNPFEDSA-N 2 1 325.294 3.769 20 0 EHADMP CO[C@]1(C)CCC[NH+](CCCCCC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000791556842 1134572932 /nfs/dbraw/zinc/57/29/32/1134572932.db2.gz PSPZXYIDWXBTHW-WOJBJXKFSA-N 2 1 340.552 3.549 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC(C)(C)[NH+](C)C)ccc1OC ZINC000775360952 1134664455 /nfs/dbraw/zinc/66/44/55/1134664455.db2.gz BIYKRSWXFBBASX-MRXNPFEDSA-N 2 1 335.536 3.528 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCN2CCc3ccccc32)C1 ZINC001191057541 1134784611 /nfs/dbraw/zinc/78/46/11/1134784611.db2.gz KHNWTYMUHUTXSN-WOJBJXKFSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCN2CCc3ccccc32)C1 ZINC001191057541 1134784615 /nfs/dbraw/zinc/78/46/15/1134784615.db2.gz KHNWTYMUHUTXSN-WOJBJXKFSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCN2CCc3ccccc32)C1 ZINC001191057541 1134784619 /nfs/dbraw/zinc/78/46/19/1134784619.db2.gz KHNWTYMUHUTXSN-WOJBJXKFSA-N 2 1 341.543 3.636 20 0 EHADMP Fc1ncccc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000793281360 1134900459 /nfs/dbraw/zinc/90/04/59/1134900459.db2.gz OPELPIHHHLOBSH-SLFFLAALSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000793281360 1134900468 /nfs/dbraw/zinc/90/04/68/1134900468.db2.gz OPELPIHHHLOBSH-SLFFLAALSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000793281360 1134900479 /nfs/dbraw/zinc/90/04/79/1134900479.db2.gz OPELPIHHHLOBSH-SLFFLAALSA-N 2 1 339.458 3.611 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205629472 1135133734 /nfs/dbraw/zinc/13/37/34/1135133734.db2.gz ZBOXEEIIIVTHJN-WCQYABFASA-N 2 1 345.712 3.909 20 0 EHADMP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651878 1135225071 /nfs/dbraw/zinc/22/50/71/1135225071.db2.gz KZPXCRFCFUCZTE-DGCLKSJQSA-N 2 1 343.284 3.703 20 0 EHADMP CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C12CCC2 ZINC001194385630 1135262176 /nfs/dbraw/zinc/26/21/76/1135262176.db2.gz ROFLUBCXVYQZAS-OALUTQOASA-N 2 1 325.456 3.570 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000775635281 1135365261 /nfs/dbraw/zinc/36/52/61/1135365261.db2.gz VDJRGCDWJCSVDI-LNLFQRSKSA-N 2 1 343.515 3.956 20 0 EHADMP OC[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001195659813 1135453481 /nfs/dbraw/zinc/45/34/81/1135453481.db2.gz RTFBWTVDEFUFCF-QFIPXVFZSA-N 2 1 344.543 3.568 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CCC1(F)F ZINC001205734210 1135493279 /nfs/dbraw/zinc/49/32/79/1135493279.db2.gz CIQJIMKOFDBOHP-LBPRGKRZSA-N 2 1 337.241 3.842 20 0 EHADMP CC[N@@H+](CCOc1cccc(OC)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC001196622374 1135590588 /nfs/dbraw/zinc/59/05/88/1135590588.db2.gz DWNKATMOSMTEDX-UHFFFAOYSA-N 2 1 342.483 3.658 20 0 EHADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC001198309136 1135804283 /nfs/dbraw/zinc/80/42/83/1135804283.db2.gz IXKGUUVTGYSOAB-HXUWFJFHSA-N 2 1 349.519 3.806 20 0 EHADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC001198309136 1135804289 /nfs/dbraw/zinc/80/42/89/1135804289.db2.gz IXKGUUVTGYSOAB-HXUWFJFHSA-N 2 1 349.519 3.806 20 0 EHADMP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC001198309136 1135804295 /nfs/dbraw/zinc/80/42/95/1135804295.db2.gz IXKGUUVTGYSOAB-HXUWFJFHSA-N 2 1 349.519 3.806 20 0 EHADMP COC(OC)c1ccc(F)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000809424032 1135833907 /nfs/dbraw/zinc/83/39/07/1135833907.db2.gz CXJNKUCVGRNBGJ-UHFFFAOYSA-N 2 1 338.467 3.516 20 0 EHADMP c1[nH]nc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC001199850413 1135931827 /nfs/dbraw/zinc/93/18/27/1135931827.db2.gz FSHBAPAVDZLOMI-LJQANCHMSA-N 2 1 334.467 3.565 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259065 1135944051 /nfs/dbraw/zinc/94/40/51/1135944051.db2.gz AJNMRGNONKGNPT-QUCCMNQESA-N 2 1 340.515 3.681 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259065 1135944053 /nfs/dbraw/zinc/94/40/53/1135944053.db2.gz AJNMRGNONKGNPT-QUCCMNQESA-N 2 1 340.515 3.681 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201504003 1136029795 /nfs/dbraw/zinc/02/97/95/1136029795.db2.gz TZXSXRLYELVIJK-IAGOWNOFSA-N 2 1 336.545 3.850 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC001202102268 1136094154 /nfs/dbraw/zinc/09/41/54/1136094154.db2.gz OSRPHFDGWLPLMW-FHWLQOOXSA-N 2 1 330.516 3.833 20 0 EHADMP FC(F)(F)CCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001202404976 1136137665 /nfs/dbraw/zinc/13/76/65/1136137665.db2.gz MFRHJDPFNUSQPM-UHFFFAOYSA-N 2 1 330.394 3.910 20 0 EHADMP Cc1[nH+]ccn1-c1ncccc1CNc1c(C)c[nH+]c2c(C)cccc12 ZINC000811825112 1136146360 /nfs/dbraw/zinc/14/63/60/1136146360.db2.gz HMMHZWROMRJYLX-UHFFFAOYSA-N 2 1 343.434 3.775 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1SCCS1 ZINC000850569417 1136288327 /nfs/dbraw/zinc/28/83/27/1136288327.db2.gz CZWGCSJRUGCAKN-DOTOQJQBSA-N 2 1 336.570 3.683 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000813860178 1136367858 /nfs/dbraw/zinc/36/78/58/1136367858.db2.gz FVWLZSSASSMACD-SFHLNBCPSA-N 2 1 328.500 3.679 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000813860178 1136367860 /nfs/dbraw/zinc/36/78/60/1136367860.db2.gz FVWLZSSASSMACD-SFHLNBCPSA-N 2 1 328.500 3.679 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000813860180 1136367899 /nfs/dbraw/zinc/36/78/99/1136367899.db2.gz FVWLZSSASSMACD-SVFBPWRDSA-N 2 1 328.500 3.679 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000813860180 1136367903 /nfs/dbraw/zinc/36/79/03/1136367903.db2.gz FVWLZSSASSMACD-SVFBPWRDSA-N 2 1 328.500 3.679 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@@H]1C ZINC000338950142 1136478699 /nfs/dbraw/zinc/47/86/99/1136478699.db2.gz WKQRZDRTYATHIT-HKUYNNGSSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@@H]1C ZINC000338950142 1136478701 /nfs/dbraw/zinc/47/87/01/1136478701.db2.gz WKQRZDRTYATHIT-HKUYNNGSSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@@H]1C ZINC000338950142 1136478704 /nfs/dbraw/zinc/47/87/04/1136478704.db2.gz WKQRZDRTYATHIT-HKUYNNGSSA-N 2 1 340.515 3.700 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170810238 1136667371 /nfs/dbraw/zinc/66/73/71/1136667371.db2.gz AKWAEEDIUVUQOC-MJGOQNOKSA-N 2 1 332.488 3.525 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000776802302 1136685363 /nfs/dbraw/zinc/68/53/63/1136685363.db2.gz FFXQKIOXMOOXTB-WIYYLYMNSA-N 2 1 345.531 3.836 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170824252 1136716003 /nfs/dbraw/zinc/71/60/03/1136716003.db2.gz XIMMAQRWNZIRLL-LCLWPZTBSA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170824252 1136716006 /nfs/dbraw/zinc/71/60/06/1136716006.db2.gz XIMMAQRWNZIRLL-LCLWPZTBSA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170824252 1136716008 /nfs/dbraw/zinc/71/60/08/1136716008.db2.gz XIMMAQRWNZIRLL-LCLWPZTBSA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000816598893 1136739942 /nfs/dbraw/zinc/73/99/42/1136739942.db2.gz UBSXZQNOGMXKDA-UHFFFAOYSA-N 2 1 339.483 3.573 20 0 EHADMP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642120 1136743743 /nfs/dbraw/zinc/74/37/43/1136743743.db2.gz PWEDRNMTPYIKFQ-IBGZPJMESA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642120 1136743746 /nfs/dbraw/zinc/74/37/46/1136743746.db2.gz PWEDRNMTPYIKFQ-IBGZPJMESA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642120 1136743748 /nfs/dbraw/zinc/74/37/48/1136743748.db2.gz PWEDRNMTPYIKFQ-IBGZPJMESA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642120 1136743750 /nfs/dbraw/zinc/74/37/50/1136743750.db2.gz PWEDRNMTPYIKFQ-IBGZPJMESA-N 2 1 344.528 3.534 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856547607 1136793904 /nfs/dbraw/zinc/79/39/04/1136793904.db2.gz BIXGHBZXIGOHCP-APWZRJJASA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856547607 1136793907 /nfs/dbraw/zinc/79/39/07/1136793907.db2.gz BIXGHBZXIGOHCP-APWZRJJASA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856547607 1136793908 /nfs/dbraw/zinc/79/39/08/1136793908.db2.gz BIXGHBZXIGOHCP-APWZRJJASA-N 2 1 333.520 3.669 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000817896620 1136844112 /nfs/dbraw/zinc/84/41/12/1136844112.db2.gz METISSDJTSERNA-IXDOHACOSA-N 2 1 337.250 3.761 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000817906037 1136845289 /nfs/dbraw/zinc/84/52/89/1136845289.db2.gz XDHRECWUGLKJCS-BRWVUGGUSA-N 2 1 337.250 3.761 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817948580 1136850346 /nfs/dbraw/zinc/85/03/46/1136850346.db2.gz BVKARNSAUMKICA-KBWCOIMZSA-N 2 1 330.516 3.672 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000818959494 1136895500 /nfs/dbraw/zinc/89/55/00/1136895500.db2.gz MMKXIQHNAYZSCK-RDTXWAMCSA-N 2 1 342.886 3.614 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000818959491 1136895589 /nfs/dbraw/zinc/89/55/89/1136895589.db2.gz MMKXIQHNAYZSCK-KBXCAEBGSA-N 2 1 342.886 3.614 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819077955 1136911159 /nfs/dbraw/zinc/91/11/59/1136911159.db2.gz FNCJSFREVXYIIE-IERDGZPVSA-N 2 1 342.458 3.674 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000819078288 1136911885 /nfs/dbraw/zinc/91/18/85/1136911885.db2.gz IHQPSLQYNXFONT-XMSQKQJNSA-N 2 1 338.495 3.844 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000819078286 1136912061 /nfs/dbraw/zinc/91/20/61/1136912061.db2.gz IHQPSLQYNXFONT-GCJKJVERSA-N 2 1 338.495 3.844 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189256 1136921624 /nfs/dbraw/zinc/92/16/24/1136921624.db2.gz FWPLWJNDQIDMOW-KAGYGMCKSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnc(F)c2)cc1 ZINC000858098312 1136939672 /nfs/dbraw/zinc/93/96/72/1136939672.db2.gz KREAFKIOBOYRBN-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1(C)C ZINC000858188665 1136947949 /nfs/dbraw/zinc/94/79/49/1136947949.db2.gz WZEVWVRNWUHLSR-QGZVFWFLSA-N 2 1 347.503 3.996 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1(C)C ZINC000858188665 1136947951 /nfs/dbraw/zinc/94/79/51/1136947951.db2.gz WZEVWVRNWUHLSR-QGZVFWFLSA-N 2 1 347.503 3.996 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000859213603 1137007785 /nfs/dbraw/zinc/00/77/85/1137007785.db2.gz ZFWDJSPJCRPZJN-IBGZPJMESA-N 2 1 332.875 3.567 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(-c3ccccn3)nc2)cc1 ZINC000859213139 1137007962 /nfs/dbraw/zinc/00/79/62/1137007962.db2.gz SCFDJEJBGJITPS-UHFFFAOYSA-N 2 1 346.478 3.837 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(OC)c(Cl)c1 ZINC000859996983 1137040013 /nfs/dbraw/zinc/04/00/13/1137040013.db2.gz MHQBOZOQKUQIPX-UHFFFAOYSA-N 2 1 347.890 3.827 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750391 1137072728 /nfs/dbraw/zinc/07/27/28/1137072728.db2.gz LDOFPRMQTMOXRW-VUCTXSBTSA-N 2 1 345.314 3.689 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750391 1137072729 /nfs/dbraw/zinc/07/27/29/1137072729.db2.gz LDOFPRMQTMOXRW-VUCTXSBTSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750391 1137072730 /nfs/dbraw/zinc/07/27/30/1137072730.db2.gz LDOFPRMQTMOXRW-VUCTXSBTSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750391 1137072731 /nfs/dbraw/zinc/07/27/31/1137072731.db2.gz LDOFPRMQTMOXRW-VUCTXSBTSA-N 2 1 345.314 3.689 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000823825097 1137114685 /nfs/dbraw/zinc/11/46/85/1137114685.db2.gz HERSTJKKZVQTGF-XUVXKRRUSA-N 2 1 346.902 3.729 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000823825097 1137114687 /nfs/dbraw/zinc/11/46/87/1137114687.db2.gz HERSTJKKZVQTGF-XUVXKRRUSA-N 2 1 346.902 3.729 20 0 EHADMP Cc1ccc(C[NH+]2CCC3(CC[NH+](Cc4cnc[nH]4)CC3)CC2)cc1 ZINC001136867603 1137136541 /nfs/dbraw/zinc/13/65/41/1137136541.db2.gz XAQIBFHXYJVVLN-UHFFFAOYSA-N 2 1 338.499 3.596 20 0 EHADMP Cc1c(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862284577 1137137301 /nfs/dbraw/zinc/13/73/01/1137137301.db2.gz KHZLESIYPPTKSG-HOTGVXAUSA-N 2 1 341.474 3.775 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)COC5)CC[C@@H]3C2)cc1 ZINC001137028882 1137176017 /nfs/dbraw/zinc/17/60/17/1137176017.db2.gz KDIWJOCEOKWCFX-NFBKMPQASA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)COC5)CC[C@@H]3C2)cc1 ZINC001137028882 1137176018 /nfs/dbraw/zinc/17/60/18/1137176018.db2.gz KDIWJOCEOKWCFX-NFBKMPQASA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)COC5)CC[C@@H]3C2)cc1 ZINC001137028882 1137176020 /nfs/dbraw/zinc/17/60/20/1137176020.db2.gz KDIWJOCEOKWCFX-NFBKMPQASA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)COC5)CC[C@@H]3C2)cc1 ZINC001137028882 1137176022 /nfs/dbraw/zinc/17/60/22/1137176022.db2.gz KDIWJOCEOKWCFX-NFBKMPQASA-N 2 1 348.490 3.671 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326739 1137212846 /nfs/dbraw/zinc/21/28/46/1137212846.db2.gz LROJWGMVGCPVKU-YLJYHZDGSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326739 1137212847 /nfs/dbraw/zinc/21/28/47/1137212847.db2.gz LROJWGMVGCPVKU-YLJYHZDGSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326739 1137212849 /nfs/dbraw/zinc/21/28/49/1137212849.db2.gz LROJWGMVGCPVKU-YLJYHZDGSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326739 1137212851 /nfs/dbraw/zinc/21/28/51/1137212851.db2.gz LROJWGMVGCPVKU-YLJYHZDGSA-N 2 1 344.524 3.544 20 0 EHADMP FC1(F)C[C@@]12CCC[NH+](CCC[N@@H+]1CCC[C@@]3(CC3(F)F)C1)C2 ZINC000844442469 1137224342 /nfs/dbraw/zinc/22/43/42/1137224342.db2.gz YOCYQTFIAQJFON-HUUCEWRRSA-N 2 1 334.401 3.619 20 0 EHADMP CC(C)([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000865743989 1137308164 /nfs/dbraw/zinc/30/81/64/1137308164.db2.gz LOQDSILCYABZFT-FQEVSTJZSA-N 2 1 330.516 3.631 20 0 EHADMP FC(F)(F)CCSCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000865788617 1137312289 /nfs/dbraw/zinc/31/22/89/1137312289.db2.gz CFOIBEBTJMEOIH-UHFFFAOYSA-N 2 1 346.462 3.926 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257056 1137339908 /nfs/dbraw/zinc/33/99/08/1137339908.db2.gz FBOODCIYLCSUMZ-RBBKRZOGSA-N 2 1 337.511 3.933 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257056 1137339910 /nfs/dbraw/zinc/33/99/10/1137339910.db2.gz FBOODCIYLCSUMZ-RBBKRZOGSA-N 2 1 337.511 3.933 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000866256632 1137340078 /nfs/dbraw/zinc/34/00/78/1137340078.db2.gz AUKXCIYYBSBITK-SIKLNZKXSA-N 2 1 337.511 3.557 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000866353135 1137348495 /nfs/dbraw/zinc/34/84/95/1137348495.db2.gz PBFPHLPTCAKKRR-DENIHFKCSA-N 2 1 337.511 3.905 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCSC2)C3)cc1 ZINC000866403389 1137352114 /nfs/dbraw/zinc/35/21/14/1137352114.db2.gz SQEQUDXQIDVXBR-HAGHYFMRSA-N 2 1 330.541 3.915 20 0 EHADMP CCc1noc(C)c1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866412179 1137352810 /nfs/dbraw/zinc/35/28/10/1137352810.db2.gz APYHVMWNAILNMK-TXPKVOOTSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866412179 1137352811 /nfs/dbraw/zinc/35/28/11/1137352811.db2.gz APYHVMWNAILNMK-TXPKVOOTSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866412179 1137352812 /nfs/dbraw/zinc/35/28/12/1137352812.db2.gz APYHVMWNAILNMK-TXPKVOOTSA-N 2 1 341.499 3.964 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000866538670 1137362797 /nfs/dbraw/zinc/36/27/97/1137362797.db2.gz UUEXKXBKWGQOEN-JJXUHFIVSA-N 2 1 339.483 3.894 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846847299 1137371501 /nfs/dbraw/zinc/37/15/01/1137371501.db2.gz HEWAHRVIPZVQBL-WMLDXEAASA-N 2 1 347.865 3.874 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846847299 1137371502 /nfs/dbraw/zinc/37/15/02/1137371502.db2.gz HEWAHRVIPZVQBL-WMLDXEAASA-N 2 1 347.865 3.874 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(Br)CC2)cc1 ZINC000846846158 1137371512 /nfs/dbraw/zinc/37/15/12/1137371512.db2.gz DGNTWZZHQHVMGR-GFCCVEGCSA-N 2 1 334.261 3.759 20 0 EHADMP COc1ccccc1-c1nc(C[N@H+](CCC[NH3+])CC2CCCC2)co1 ZINC000866664743 1137372965 /nfs/dbraw/zinc/37/29/65/1137372965.db2.gz LGJCWNLUYRZYLA-UHFFFAOYSA-N 2 1 343.471 3.691 20 0 EHADMP COc1ccccc1-c1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)co1 ZINC000866664743 1137372967 /nfs/dbraw/zinc/37/29/67/1137372967.db2.gz LGJCWNLUYRZYLA-UHFFFAOYSA-N 2 1 343.471 3.691 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000866707495 1137374926 /nfs/dbraw/zinc/37/49/26/1137374926.db2.gz PABLGKBVBGPPJK-LJQANCHMSA-N 2 1 349.425 3.817 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000866707495 1137374928 /nfs/dbraw/zinc/37/49/28/1137374928.db2.gz PABLGKBVBGPPJK-LJQANCHMSA-N 2 1 349.425 3.817 20 0 EHADMP Clc1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000121942806 1137391061 /nfs/dbraw/zinc/39/10/61/1137391061.db2.gz NKXMRPKFLXBYGC-UHFFFAOYSA-N 2 1 327.925 3.885 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2c(CC[NH3+])cc3ccccc32)nc1 ZINC001171302651 1137405919 /nfs/dbraw/zinc/40/59/19/1137405919.db2.gz PQOFBLIHSKHZLW-KRWDZBQOSA-N 2 1 348.494 3.901 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH]c2ncccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096203 1137439962 /nfs/dbraw/zinc/43/99/62/1137439962.db2.gz MHYCLWYLDRXJSG-FXAWDEMLSA-N 2 1 348.494 3.606 20 0 EHADMP CSc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000348133047 1137444574 /nfs/dbraw/zinc/44/45/74/1137444574.db2.gz JPITYLFRFJZLSD-VQIMIIECSA-N 2 1 341.524 3.804 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000773029508 1137460515 /nfs/dbraw/zinc/46/05/15/1137460515.db2.gz JUEITHJHFYDLCF-FUHWJXTLSA-N 2 1 340.458 3.629 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccnc(Cl)c1 ZINC000122791946 1137467792 /nfs/dbraw/zinc/46/77/92/1137467792.db2.gz IRNDWBLYQPREHB-OAHLLOKOSA-N 2 1 329.875 3.834 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccnc(Cl)c1 ZINC000122791946 1137467794 /nfs/dbraw/zinc/46/77/94/1137467794.db2.gz IRNDWBLYQPREHB-OAHLLOKOSA-N 2 1 329.875 3.834 20 0 EHADMP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001171465424 1137489820 /nfs/dbraw/zinc/48/98/20/1137489820.db2.gz JOOOMXGFNZXENI-DLBZAZTESA-N 2 1 334.454 3.819 20 0 EHADMP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001171465424 1137489822 /nfs/dbraw/zinc/48/98/22/1137489822.db2.gz JOOOMXGFNZXENI-DLBZAZTESA-N 2 1 334.454 3.819 20 0 EHADMP Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3[nH+]cccc3C)CC1)C2 ZINC001171558023 1137497803 /nfs/dbraw/zinc/49/78/03/1137497803.db2.gz ZRJBBGBYFFQCFW-HXUWFJFHSA-N 2 1 335.495 3.814 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171565875 1137498478 /nfs/dbraw/zinc/49/84/78/1137498478.db2.gz DDNHMSHNCPLQND-LJQANCHMSA-N 2 1 335.495 3.795 20 0 EHADMP C[C@H]1C[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171725303 1137506344 /nfs/dbraw/zinc/50/63/44/1137506344.db2.gz IYYLPXUEFGPPMW-IIZPIQPGSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1C[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725303 1137506346 /nfs/dbraw/zinc/50/63/46/1137506346.db2.gz IYYLPXUEFGPPMW-IIZPIQPGSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1C[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725303 1137506347 /nfs/dbraw/zinc/50/63/47/1137506347.db2.gz IYYLPXUEFGPPMW-IIZPIQPGSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[C@H](n2cnc(-c3ccc(C[NH3+])cc3)c2)C[N@H+]1Cc1ccccc1 ZINC001171740721 1137511324 /nfs/dbraw/zinc/51/13/24/1137511324.db2.gz LDKCRIAVQGVYDT-UTKZUKDTSA-N 2 1 346.478 3.844 20 0 EHADMP CC1(C)C[C@@H](N2C[C@H](C[NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974580 1137524518 /nfs/dbraw/zinc/52/45/18/1137524518.db2.gz HZXVFQBGZVEYLQ-PMACEKPBSA-N 2 1 349.522 3.992 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976047 1137525593 /nfs/dbraw/zinc/52/55/93/1137525593.db2.gz OXMAQZUAVIMIFG-XUVXKRRUSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171982484 1137526552 /nfs/dbraw/zinc/52/65/52/1137526552.db2.gz IYAKYFSGDYZTFA-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171983017 1137526692 /nfs/dbraw/zinc/52/66/92/1137526692.db2.gz LXRSSLGXJHQLHR-RBUKOAKNSA-N 2 1 328.500 3.588 20 0 EHADMP CCN(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980352 1137526738 /nfs/dbraw/zinc/52/67/38/1137526738.db2.gz DUBHNQSQFTVESL-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP CC(C)(C)[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073638 1137529722 /nfs/dbraw/zinc/52/97/22/1137529722.db2.gz SBTXQUDTXUYCID-HAGHYFMRSA-N 2 1 330.516 3.569 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072955 1137530049 /nfs/dbraw/zinc/53/00/49/1137530049.db2.gz OAWUQVDMBJZWEV-MZADTFQBSA-N 2 1 343.559 3.750 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072955 1137530051 /nfs/dbraw/zinc/53/00/51/1137530051.db2.gz OAWUQVDMBJZWEV-MZADTFQBSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072955 1137530053 /nfs/dbraw/zinc/53/00/53/1137530053.db2.gz OAWUQVDMBJZWEV-MZADTFQBSA-N 3 1 343.559 3.750 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172101894 1137532554 /nfs/dbraw/zinc/53/25/54/1137532554.db2.gz IBLXMCQETCPONZ-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172101894 1137532556 /nfs/dbraw/zinc/53/25/56/1137532556.db2.gz IBLXMCQETCPONZ-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172101894 1137532558 /nfs/dbraw/zinc/53/25/58/1137532558.db2.gz IBLXMCQETCPONZ-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062695 1137532939 /nfs/dbraw/zinc/53/29/39/1137532939.db2.gz QSNOQJLDWVWZGN-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062695 1137532940 /nfs/dbraw/zinc/53/29/40/1137532940.db2.gz QSNOQJLDWVWZGN-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062695 1137532941 /nfs/dbraw/zinc/53/29/41/1137532941.db2.gz QSNOQJLDWVWZGN-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062695 1137532942 /nfs/dbraw/zinc/53/29/42/1137532942.db2.gz QSNOQJLDWVWZGN-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062695 1137532943 /nfs/dbraw/zinc/53/29/43/1137532943.db2.gz QSNOQJLDWVWZGN-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172066703 1137533564 /nfs/dbraw/zinc/53/35/64/1137533564.db2.gz MSSKOLDVVIQHDQ-OWZKRDHZSA-N 2 1 339.458 3.896 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172066703 1137533566 /nfs/dbraw/zinc/53/35/66/1137533566.db2.gz MSSKOLDVVIQHDQ-OWZKRDHZSA-N 2 1 339.458 3.896 20 0 EHADMP FC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001172066038 1137533575 /nfs/dbraw/zinc/53/35/75/1137533575.db2.gz SZMPXGKKDTYGGY-OWZKRDHZSA-N 2 1 346.490 3.680 20 0 EHADMP COc1cccc([C@H]2CSCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172132010 1137535930 /nfs/dbraw/zinc/53/59/30/1137535930.db2.gz IVJQRMZDKUUSBO-DOADOZAASA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172132010 1137535931 /nfs/dbraw/zinc/53/59/31/1137535931.db2.gz IVJQRMZDKUUSBO-DOADOZAASA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172132010 1137535933 /nfs/dbraw/zinc/53/59/33/1137535933.db2.gz IVJQRMZDKUUSBO-DOADOZAASA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172132009 1137536152 /nfs/dbraw/zinc/53/61/52/1137536152.db2.gz IVJQRMZDKUUSBO-DMUMMCEESA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172132009 1137536154 /nfs/dbraw/zinc/53/61/54/1137536154.db2.gz IVJQRMZDKUUSBO-DMUMMCEESA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172132009 1137536156 /nfs/dbraw/zinc/53/61/56/1137536156.db2.gz IVJQRMZDKUUSBO-DMUMMCEESA-N 2 1 346.540 3.800 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cc(Cl)ccc31)C2 ZINC001172103894 1137536706 /nfs/dbraw/zinc/53/67/06/1137536706.db2.gz XTXJLAXSMHXQSC-FVQHAEBGSA-N 2 1 331.891 3.984 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112518 1137537626 /nfs/dbraw/zinc/53/76/26/1137537626.db2.gz WUVFYZBDUISVBY-YPHBOWRQSA-N 2 1 341.543 3.774 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112518 1137537627 /nfs/dbraw/zinc/53/76/27/1137537627.db2.gz WUVFYZBDUISVBY-YPHBOWRQSA-N 3 1 341.543 3.774 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112518 1137537628 /nfs/dbraw/zinc/53/76/28/1137537628.db2.gz WUVFYZBDUISVBY-YPHBOWRQSA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112518 1137537629 /nfs/dbraw/zinc/53/76/29/1137537629.db2.gz WUVFYZBDUISVBY-YPHBOWRQSA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112518 1137537630 /nfs/dbraw/zinc/53/76/30/1137537630.db2.gz WUVFYZBDUISVBY-YPHBOWRQSA-N 3 1 341.543 3.774 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001172117949 1137538293 /nfs/dbraw/zinc/53/82/93/1137538293.db2.gz SUFRKTCZBQPLLO-OXZADQLBSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001172117949 1137538295 /nfs/dbraw/zinc/53/82/95/1137538295.db2.gz SUFRKTCZBQPLLO-OXZADQLBSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001172117949 1137538297 /nfs/dbraw/zinc/53/82/97/1137538297.db2.gz SUFRKTCZBQPLLO-OXZADQLBSA-N 2 1 332.532 3.529 20 0 EHADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114641 1137538506 /nfs/dbraw/zinc/53/85/06/1137538506.db2.gz OXBDCAYTNXAQOL-FJIDUMEYSA-N 2 1 338.536 3.738 20 0 EHADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114641 1137538508 /nfs/dbraw/zinc/53/85/08/1137538508.db2.gz OXBDCAYTNXAQOL-FJIDUMEYSA-N 2 1 338.536 3.738 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001172253310 1137544737 /nfs/dbraw/zinc/54/47/37/1137544737.db2.gz KNGIRKORGCSSIJ-KRWDZBQOSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001172253310 1137544738 /nfs/dbraw/zinc/54/47/38/1137544738.db2.gz KNGIRKORGCSSIJ-KRWDZBQOSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001172253638 1137544878 /nfs/dbraw/zinc/54/48/78/1137544878.db2.gz YJLVABQSMYWLLA-QGZVFWFLSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001172253638 1137544880 /nfs/dbraw/zinc/54/48/80/1137544880.db2.gz YJLVABQSMYWLLA-QGZVFWFLSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([NH2+]C2(c3cccc4ccccc43)CC2)CC1 ZINC001172250538 1137544990 /nfs/dbraw/zinc/54/49/90/1137544990.db2.gz RGRKLOGCIKUQRR-UHFFFAOYSA-N 2 1 338.495 3.919 20 0 EHADMP C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C[C@@H]1C ZINC001172375276 1137549653 /nfs/dbraw/zinc/54/96/53/1137549653.db2.gz GAAWGOQLGISEHE-QYZOEREBSA-N 2 1 344.547 3.552 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@H]1CCCOC1 ZINC000872027231 1137565984 /nfs/dbraw/zinc/56/59/84/1137565984.db2.gz KIIVHNXXAQGTQM-WMZOPIPTSA-N 2 1 331.435 3.615 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872040948 1137567078 /nfs/dbraw/zinc/56/70/78/1137567078.db2.gz DHQZDUMEVWQLBZ-WLRLJWMZSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872040948 1137567079 /nfs/dbraw/zinc/56/70/79/1137567079.db2.gz DHQZDUMEVWQLBZ-WLRLJWMZSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872154858 1137573959 /nfs/dbraw/zinc/57/39/59/1137573959.db2.gz CKBSZWXJVLIOHQ-QGZVFWFLSA-N 2 1 333.520 3.896 20 0 EHADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000872157317 1137574185 /nfs/dbraw/zinc/57/41/85/1137574185.db2.gz KADOYSCETJZRIK-AEFFLSMTSA-N 2 1 334.529 3.565 20 0 EHADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC000873232840 1137594694 /nfs/dbraw/zinc/59/46/94/1137594694.db2.gz ZDPMHJJUTXDGHR-YLJYHZDGSA-N 2 1 332.536 3.639 20 0 EHADMP Nc1cc(F)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000873289688 1137596713 /nfs/dbraw/zinc/59/67/13/1137596713.db2.gz WQBJVBOEEHAWBK-WKCHPHFGSA-N 2 1 339.458 3.693 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc4c(F)cccc4c3)C2)CC1 ZINC000877528972 1137679782 /nfs/dbraw/zinc/67/97/82/1137679782.db2.gz OXJABMIPCUENNE-SFHVURJKSA-N 2 1 327.447 3.538 20 0 EHADMP Cc1sc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000877533054 1137680193 /nfs/dbraw/zinc/68/01/93/1137680193.db2.gz YRSUIEYAAUZDDV-YGRLFVJLSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000877533054 1137680194 /nfs/dbraw/zinc/68/01/94/1137680194.db2.gz YRSUIEYAAUZDDV-YGRLFVJLSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000877533054 1137680195 /nfs/dbraw/zinc/68/01/95/1137680195.db2.gz YRSUIEYAAUZDDV-YGRLFVJLSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000877533054 1137680196 /nfs/dbraw/zinc/68/01/96/1137680196.db2.gz YRSUIEYAAUZDDV-YGRLFVJLSA-N 2 1 331.323 3.591 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1csc(-c3ccco3)n1)CC2 ZINC000877684641 1137685902 /nfs/dbraw/zinc/68/59/02/1137685902.db2.gz RISFXEYUNNUDFJ-UHFFFAOYSA-N 2 1 331.485 3.711 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000883325879 1137854983 /nfs/dbraw/zinc/85/49/83/1137854983.db2.gz MGGVFIVNIFTVNA-CQSZACIVSA-N 2 1 348.874 3.837 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001202561863 1137876153 /nfs/dbraw/zinc/87/61/53/1137876153.db2.gz MFJQFPLFEDQSIJ-YZGWKJHDSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001202561863 1137876154 /nfs/dbraw/zinc/87/61/54/1137876154.db2.gz MFJQFPLFEDQSIJ-YZGWKJHDSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001202561863 1137876155 /nfs/dbraw/zinc/87/61/55/1137876155.db2.gz MFJQFPLFEDQSIJ-YZGWKJHDSA-N 2 1 348.556 3.707 20 0 EHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202667917 1137915144 /nfs/dbraw/zinc/91/51/44/1137915144.db2.gz CSUDIIOCCVXMHS-UHFFFAOYSA-N 2 1 334.479 3.539 20 0 EHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202667917 1137915145 /nfs/dbraw/zinc/91/51/45/1137915145.db2.gz CSUDIIOCCVXMHS-UHFFFAOYSA-N 2 1 334.479 3.539 20 0 EHADMP NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000332530341 1137946421 /nfs/dbraw/zinc/94/64/21/1137946421.db2.gz PTEGEEKRKJCRGR-QFBILLFUSA-N 2 1 347.478 3.516 20 0 EHADMP Cc1nc(CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000120522400 1137950492 /nfs/dbraw/zinc/95/04/92/1137950492.db2.gz RMWNQCDODOWLFA-UHFFFAOYSA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886506126 1138085588 /nfs/dbraw/zinc/08/55/88/1138085588.db2.gz CXFIXAVSOPXZGF-OAQYLSRUSA-N 2 1 340.515 3.680 20 0 EHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886662620 1138110788 /nfs/dbraw/zinc/11/07/88/1138110788.db2.gz HZWQCJRMCRCDJH-KRWDZBQOSA-N 2 1 333.863 3.593 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CC4(CCC4)CO2)C3)cc1 ZINC000886701245 1138118835 /nfs/dbraw/zinc/11/88/35/1138118835.db2.gz MUCPKZWRXHNBNC-PLACYPQZSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716279 1138213035 /nfs/dbraw/zinc/21/30/35/1138213035.db2.gz VKBGVECUYBCFQX-KEYYUXOJSA-N 2 1 344.421 3.584 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(F)c1 ZINC000122286106 1138256588 /nfs/dbraw/zinc/25/65/88/1138256588.db2.gz UMQGYHHKCYGINZ-OAHLLOKOSA-N 2 1 346.446 3.626 20 0 EHADMP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1C ZINC000263672713 1138340197 /nfs/dbraw/zinc/34/01/97/1138340197.db2.gz GMOFMMHTHZOYGR-UHFFFAOYSA-N 2 1 342.483 3.714 20 0 EHADMP Cc1ccc2c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1C ZINC000263672713 1138340199 /nfs/dbraw/zinc/34/01/99/1138340199.db2.gz GMOFMMHTHZOYGR-UHFFFAOYSA-N 2 1 342.483 3.714 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)ccc1OC(F)F ZINC000132121269 1138563200 /nfs/dbraw/zinc/56/32/00/1138563200.db2.gz OKGZCCNZXGPTNI-GFCCVEGCSA-N 2 1 330.419 3.535 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838686 1138605849 /nfs/dbraw/zinc/60/58/49/1138605849.db2.gz DBJFYCBOSOEZAB-QWHCGFSZSA-N 2 1 328.909 3.553 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000134785056 1138705454 /nfs/dbraw/zinc/70/54/54/1138705454.db2.gz MFNNMFYZHVLBLU-DSYPUSFNSA-N 2 1 337.467 3.789 20 0 EHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000338000613 1138720379 /nfs/dbraw/zinc/72/03/79/1138720379.db2.gz YTSAJIUDTABUMX-PMACEKPBSA-N 2 1 334.479 3.527 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccncc1F ZINC000338008622 1138722372 /nfs/dbraw/zinc/72/23/72/1138722372.db2.gz DCSJPUNEJAPJKR-GIOGAUJUSA-N 2 1 339.458 3.782 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccncc1F ZINC000338008622 1138722375 /nfs/dbraw/zinc/72/23/75/1138722375.db2.gz DCSJPUNEJAPJKR-GIOGAUJUSA-N 2 1 339.458 3.782 20 0 EHADMP CC[NH+](CC)CCC[N@@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000338303294 1138825264 /nfs/dbraw/zinc/82/52/64/1138825264.db2.gz FTNPMSAFOWWTFK-UHFFFAOYSA-N 2 1 348.531 3.533 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000265495317 1138928039 /nfs/dbraw/zinc/92/80/39/1138928039.db2.gz LLVKIHASYITGHZ-UHFFFAOYSA-N 2 1 342.531 3.560 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000178047514 1139665935 /nfs/dbraw/zinc/66/59/35/1139665935.db2.gz NOJRDPLQBWYZNX-DLBZAZTESA-N 2 1 340.515 3.954 20 0 EHADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000178620196 1139707971 /nfs/dbraw/zinc/70/79/71/1139707971.db2.gz GFMVWYRJQYZISW-HNAYVOBHSA-N 2 1 343.540 3.975 20 0 EHADMP C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100554 1140013461 /nfs/dbraw/zinc/01/34/61/1140013461.db2.gz VCSLNYKLPRWMNI-LPHOPBHVSA-N 2 1 326.484 3.705 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186381444 1140200940 /nfs/dbraw/zinc/20/09/40/1140200940.db2.gz APZHJHHKTCOLFJ-KRWDZBQOSA-N 2 1 332.488 3.542 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000190771156 1140417165 /nfs/dbraw/zinc/41/71/65/1140417165.db2.gz IYDHDPXWDRBBHD-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000190771156 1140417173 /nfs/dbraw/zinc/41/71/73/1140417173.db2.gz IYDHDPXWDRBBHD-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000193107381 1140564213 /nfs/dbraw/zinc/56/42/13/1140564213.db2.gz RGFWSNZJQOBYFC-CJNGLKHVSA-N 2 1 330.925 3.628 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000193107381 1140564216 /nfs/dbraw/zinc/56/42/16/1140564216.db2.gz RGFWSNZJQOBYFC-CJNGLKHVSA-N 2 1 330.925 3.628 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000268732468 1140978099 /nfs/dbraw/zinc/97/80/99/1140978099.db2.gz ALBAHDBGEBOHDR-QUCCMNQESA-N 2 1 348.494 3.520 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000268732468 1140978105 /nfs/dbraw/zinc/97/81/05/1140978105.db2.gz ALBAHDBGEBOHDR-QUCCMNQESA-N 2 1 348.494 3.520 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268756425 1140984445 /nfs/dbraw/zinc/98/44/45/1140984445.db2.gz JROUWRNSKBGBQJ-YJBOKZPZSA-N 2 1 329.513 3.637 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268756425 1140984447 /nfs/dbraw/zinc/98/44/47/1140984447.db2.gz JROUWRNSKBGBQJ-YJBOKZPZSA-N 2 1 329.513 3.637 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000268847823 1141006690 /nfs/dbraw/zinc/00/66/90/1141006690.db2.gz PCIZZRMZIGIZSG-SFHVURJKSA-N 2 1 338.495 3.537 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1SC ZINC000268863484 1141010547 /nfs/dbraw/zinc/01/05/47/1141010547.db2.gz NDEYGLBMKVQEEQ-AWEZNQCLSA-N 2 1 334.529 3.942 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268923242 1141026668 /nfs/dbraw/zinc/02/66/68/1141026668.db2.gz PHOFZEFKFGXOOA-BVYCBKJFSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000268933437 1141028355 /nfs/dbraw/zinc/02/83/55/1141028355.db2.gz NFTFBPJFMHRJKB-CBANROCLSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933437 1141028363 /nfs/dbraw/zinc/02/83/63/1141028363.db2.gz NFTFBPJFMHRJKB-CBANROCLSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933437 1141028369 /nfs/dbraw/zinc/02/83/69/1141028369.db2.gz NFTFBPJFMHRJKB-CBANROCLSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000269008261 1141044872 /nfs/dbraw/zinc/04/48/72/1141044872.db2.gz LUXPHSTXFHPSBD-GHRYLNIYSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000269008261 1141044881 /nfs/dbraw/zinc/04/48/81/1141044881.db2.gz LUXPHSTXFHPSBD-GHRYLNIYSA-N 2 1 328.500 3.587 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000269036964 1141052531 /nfs/dbraw/zinc/05/25/31/1141052531.db2.gz VRSCBPKZGBAAQV-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCNc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000269101590 1141065328 /nfs/dbraw/zinc/06/53/28/1141065328.db2.gz UGCQVDYUYQMKPE-AZUAARDMSA-N 3 1 338.499 3.526 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCNc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000269101590 1141065334 /nfs/dbraw/zinc/06/53/34/1141065334.db2.gz UGCQVDYUYQMKPE-AZUAARDMSA-N 2 1 338.499 3.526 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000269731666 1141139300 /nfs/dbraw/zinc/13/93/00/1141139300.db2.gz YFASNTGBBKFGNJ-LJQANCHMSA-N 2 1 347.890 3.681 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270696902 1141258038 /nfs/dbraw/zinc/25/80/38/1141258038.db2.gz XDZJXGCIERQFGR-ZWKOTPCHSA-N 2 1 331.460 3.543 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270696902 1141258042 /nfs/dbraw/zinc/25/80/42/1141258042.db2.gz XDZJXGCIERQFGR-ZWKOTPCHSA-N 2 1 331.460 3.543 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000270696899 1141258173 /nfs/dbraw/zinc/25/81/73/1141258173.db2.gz XDZJXGCIERQFGR-ROUUACIJSA-N 2 1 331.460 3.543 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000270696899 1141258178 /nfs/dbraw/zinc/25/81/78/1141258178.db2.gz XDZJXGCIERQFGR-ROUUACIJSA-N 2 1 331.460 3.543 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270825113 1141274627 /nfs/dbraw/zinc/27/46/27/1141274627.db2.gz BQLPCIJYTSCERE-IAGOWNOFSA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270825113 1141274632 /nfs/dbraw/zinc/27/46/32/1141274632.db2.gz BQLPCIJYTSCERE-IAGOWNOFSA-N 2 1 333.501 3.621 20 0 EHADMP CCCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000271021547 1141295745 /nfs/dbraw/zinc/29/57/45/1141295745.db2.gz BJWYTMNBBTZDCR-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP CCCOc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000271021547 1141295748 /nfs/dbraw/zinc/29/57/48/1141295748.db2.gz BJWYTMNBBTZDCR-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000271123889 1141310942 /nfs/dbraw/zinc/31/09/42/1141310942.db2.gz KAYPGYYDAKFAQQ-OLZOCXBDSA-N 2 1 325.378 3.992 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000273910403 1141445414 /nfs/dbraw/zinc/44/54/14/1141445414.db2.gz CNEQDMVLSXZSAU-HLAWJBBLSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000273910403 1141445418 /nfs/dbraw/zinc/44/54/18/1141445418.db2.gz CNEQDMVLSXZSAU-HLAWJBBLSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1nnc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000283114122 1141555656 /nfs/dbraw/zinc/55/56/56/1141555656.db2.gz MNEQWCZANVVMEX-AWEZNQCLSA-N 2 1 345.516 3.541 20 0 EHADMP Cc1nnc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000283114122 1141555658 /nfs/dbraw/zinc/55/56/58/1141555658.db2.gz MNEQWCZANVVMEX-AWEZNQCLSA-N 2 1 345.516 3.541 20 0 EHADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000349145314 1141645498 /nfs/dbraw/zinc/64/54/98/1141645498.db2.gz SDPHJOSWAVKNNY-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145314 1141645500 /nfs/dbraw/zinc/64/55/00/1141645500.db2.gz SDPHJOSWAVKNNY-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145314 1141645504 /nfs/dbraw/zinc/64/55/04/1141645504.db2.gz SDPHJOSWAVKNNY-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000019912847 212083335 /nfs/dbraw/zinc/08/33/35/212083335.db2.gz AGMSTTJPIYMCDZ-AWEZNQCLSA-N 2 1 325.294 3.803 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000019912847 212083336 /nfs/dbraw/zinc/08/33/36/212083336.db2.gz AGMSTTJPIYMCDZ-AWEZNQCLSA-N 2 1 325.294 3.803 20 0 EHADMP Cn1ccc2c1cc[nH+]c2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621027 719067236 /nfs/dbraw/zinc/06/72/36/719067236.db2.gz GJDRGJWHRRIVGG-RXVVDRJESA-N 2 1 346.478 3.674 20 0 EHADMP Cc1cc2[nH]ccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164628466 719082929 /nfs/dbraw/zinc/08/29/29/719082929.db2.gz RUWJOMPLJJDMKI-GHTZIAJQSA-N 2 1 346.478 3.972 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657838672 1032080681 /nfs/dbraw/zinc/08/06/81/1032080681.db2.gz XFPYHRYGKPVWCY-FXAWDEMLSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Oc2cccnc2)cc1 ZINC000584299859 1032081868 /nfs/dbraw/zinc/08/18/68/1032081868.db2.gz XMYAOMQUXJQOTQ-MRXNPFEDSA-N 2 1 336.439 3.891 20 0 EHADMP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(-c2ccnn2C)c1 ZINC000339406959 1014367811 /nfs/dbraw/zinc/36/78/11/1014367811.db2.gz ILHVMPANUKQPIC-UHFFFAOYSA-N 2 1 348.494 3.747 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000078876853 1014422518 /nfs/dbraw/zinc/42/25/18/1014422518.db2.gz FUXSOYWIHPYQPA-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000320100542 1014447274 /nfs/dbraw/zinc/44/72/74/1014447274.db2.gz MDDOIKFVDNCUBH-LMMKCTJWSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000320100542 1014447286 /nfs/dbraw/zinc/44/72/86/1014447286.db2.gz MDDOIKFVDNCUBH-LMMKCTJWSA-N 2 1 346.515 3.607 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643547295 1014504732 /nfs/dbraw/zinc/50/47/32/1014504732.db2.gz CLLFCBQKUQSTNB-NYLDSWQDSA-N 3 1 341.543 3.694 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154892089 1015909879 /nfs/dbraw/zinc/90/98/79/1015909879.db2.gz XFJMDPYJZGGPIK-KRWDZBQOSA-N 2 1 339.483 3.510 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904576429 1032142682 /nfs/dbraw/zinc/14/26/82/1032142682.db2.gz YEWBNOLZAPFJOU-INIZCTEOSA-N 2 1 346.519 3.657 20 0 EHADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000387498043 1016254758 /nfs/dbraw/zinc/25/47/58/1016254758.db2.gz XHKGSCOBGUPXBI-QHAWAJNXSA-N 2 1 341.543 3.551 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000387498043 1016254764 /nfs/dbraw/zinc/25/47/64/1016254764.db2.gz XHKGSCOBGUPXBI-QHAWAJNXSA-N 2 1 341.543 3.551 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453065 1016313293 /nfs/dbraw/zinc/31/32/93/1016313293.db2.gz FBLRGPFXLVQOQK-FQEVSTJZSA-N 2 1 344.499 3.876 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453065 1016313301 /nfs/dbraw/zinc/31/33/01/1016313301.db2.gz FBLRGPFXLVQOQK-FQEVSTJZSA-N 2 1 344.499 3.876 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)cc1 ZINC000924586487 1016394358 /nfs/dbraw/zinc/39/43/58/1016394358.db2.gz USYWFFNQXHZCGM-MRXNPFEDSA-N 2 1 329.492 3.552 20 0 EHADMP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000106366951 1016470426 /nfs/dbraw/zinc/47/04/26/1016470426.db2.gz KXCSSUNUDXDVRH-QGZVFWFLSA-N 2 1 349.316 3.523 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000510236429 1016587656 /nfs/dbraw/zinc/58/76/56/1016587656.db2.gz BHNGGHSBJKKHOB-QGZVFWFLSA-N 2 1 326.484 3.953 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120819 1016610508 /nfs/dbraw/zinc/61/05/08/1016610508.db2.gz HPFCCWZCAIQNAI-OLZOCXBDSA-N 2 1 330.394 3.810 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120819 1016610518 /nfs/dbraw/zinc/61/05/18/1016610518.db2.gz HPFCCWZCAIQNAI-OLZOCXBDSA-N 2 1 330.394 3.810 20 0 EHADMP CCC(CC)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180167563 1016888769 /nfs/dbraw/zinc/88/87/69/1016888769.db2.gz QKACYNOUUIASAT-IHWFROFDSA-N 2 1 330.516 3.570 20 0 EHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000340349948 1017000649 /nfs/dbraw/zinc/00/06/49/1017000649.db2.gz JFFBWUFHTIHBPW-RTWAWAEBSA-N 2 1 342.527 3.846 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379621872 1032182892 /nfs/dbraw/zinc/18/28/92/1032182892.db2.gz FZWJPVGNPHAEEJ-BHIYHBOVSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379621872 1032182900 /nfs/dbraw/zinc/18/29/00/1032182900.db2.gz FZWJPVGNPHAEEJ-BHIYHBOVSA-N 2 1 330.516 3.975 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840736 1032184511 /nfs/dbraw/zinc/18/45/11/1032184511.db2.gz IJGGRYJYHVWIST-JKSUJKDBSA-N 2 1 342.483 3.849 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924660136 1032281377 /nfs/dbraw/zinc/28/13/77/1032281377.db2.gz NTDCTZQZQUYSBL-QGZVFWFLSA-N 2 1 329.488 3.501 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304274 1032285075 /nfs/dbraw/zinc/28/50/75/1032285075.db2.gz FRHWGJNESUIITO-APWZRJJASA-N 2 1 347.934 3.856 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304274 1032285083 /nfs/dbraw/zinc/28/50/83/1032285083.db2.gz FRHWGJNESUIITO-APWZRJJASA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304274 1032285098 /nfs/dbraw/zinc/28/50/98/1032285098.db2.gz FRHWGJNESUIITO-APWZRJJASA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304274 1032285105 /nfs/dbraw/zinc/28/51/05/1032285105.db2.gz FRHWGJNESUIITO-APWZRJJASA-N 2 1 347.934 3.856 20 0 EHADMP CCC[C@](C)([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000904918265 1032285913 /nfs/dbraw/zinc/28/59/13/1032285913.db2.gz GBTUYCFFZVONOR-FQEVSTJZSA-N 2 1 331.504 3.907 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000449232471 1032349967 /nfs/dbraw/zinc/34/99/67/1032349967.db2.gz HZKMJNNFUDKOQT-SJORKVTESA-N 2 1 341.474 3.967 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632754 1032356211 /nfs/dbraw/zinc/35/62/11/1032356211.db2.gz OXCNJKSJMJYACX-INIZCTEOSA-N 2 1 326.406 3.869 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632754 1032356220 /nfs/dbraw/zinc/35/62/20/1032356220.db2.gz OXCNJKSJMJYACX-INIZCTEOSA-N 2 1 326.406 3.869 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632754 1032356229 /nfs/dbraw/zinc/35/62/29/1032356229.db2.gz OXCNJKSJMJYACX-INIZCTEOSA-N 2 1 326.406 3.869 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632754 1032356235 /nfs/dbraw/zinc/35/62/35/1032356235.db2.gz OXCNJKSJMJYACX-INIZCTEOSA-N 2 1 326.406 3.869 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632754 1032356237 /nfs/dbraw/zinc/35/62/37/1032356237.db2.gz OXCNJKSJMJYACX-INIZCTEOSA-N 2 1 326.406 3.869 20 0 EHADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000538446888 1032375943 /nfs/dbraw/zinc/37/59/43/1032375943.db2.gz NCWHWSPBMHKMLF-UHFFFAOYSA-N 2 1 333.888 3.815 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000538446888 1032375951 /nfs/dbraw/zinc/37/59/51/1032375951.db2.gz NCWHWSPBMHKMLF-UHFFFAOYSA-N 2 1 333.888 3.815 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000459730607 1032434598 /nfs/dbraw/zinc/43/45/98/1032434598.db2.gz KUEUUDQXHHTDJI-MRXNPFEDSA-N 2 1 335.923 3.762 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3n2)CC1 ZINC000449339265 1032475552 /nfs/dbraw/zinc/47/55/52/1032475552.db2.gz TYECJHDQGXGVMK-KRWDZBQOSA-N 2 1 348.494 3.748 20 0 EHADMP c1csc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000091265925 1032679467 /nfs/dbraw/zinc/67/94/67/1032679467.db2.gz WVRLSUXIVGAHPG-HXUWFJFHSA-N 2 1 342.508 3.821 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000153736757 1017154977 /nfs/dbraw/zinc/15/49/77/1017154977.db2.gz VJOZFWJCHLIGSK-UHFFFAOYSA-N 2 1 343.446 3.977 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000378877722 1017349007 /nfs/dbraw/zinc/34/90/07/1017349007.db2.gz CFCADUQQYHWYHJ-HSZRJFAPSA-N 2 1 334.507 3.841 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698345 1017414426 /nfs/dbraw/zinc/41/44/26/1017414426.db2.gz VBJVUDZWINCSAX-VQTJNVASSA-N 2 1 334.479 3.756 20 0 EHADMP Cc1cccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655703583 1017428518 /nfs/dbraw/zinc/42/85/18/1017428518.db2.gz IOUVDAZUFFOSNM-HXUWFJFHSA-N 2 1 330.516 3.506 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415034773 1017439820 /nfs/dbraw/zinc/43/98/20/1017439820.db2.gz DBRKERYXGLHFHZ-MAUKXSAKSA-N 2 1 329.875 3.852 20 0 EHADMP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655756577 1017547274 /nfs/dbraw/zinc/54/72/74/1017547274.db2.gz GTYNHINYWYINMF-IEBWSBKVSA-N 2 1 348.556 3.709 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849714 1017768129 /nfs/dbraw/zinc/76/81/29/1017768129.db2.gz YGBMFZBHIOAIIN-HZEGPAAWSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655849714 1017768140 /nfs/dbraw/zinc/76/81/40/1017768140.db2.gz YGBMFZBHIOAIIN-HZEGPAAWSA-N 2 1 333.564 3.636 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c1 ZINC000892937688 1017786876 /nfs/dbraw/zinc/78/68/76/1017786876.db2.gz HHKYBEHFIRIMOI-UHFFFAOYSA-N 2 1 328.504 3.822 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Cl)cc2Cl)s1 ZINC000352240112 1017824043 /nfs/dbraw/zinc/82/40/43/1017824043.db2.gz DCMOPNOJNOYLPD-UHFFFAOYSA-N 2 1 344.311 3.844 20 0 EHADMP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000340477943 1018027679 /nfs/dbraw/zinc/02/76/79/1018027679.db2.gz YAHHFGGJCPNIOJ-LJQANCHMSA-N 2 1 344.478 3.504 20 0 EHADMP COc1cccc(C[C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000528751787 1032744658 /nfs/dbraw/zinc/74/46/58/1032744658.db2.gz UTXZOHZFPFDSHH-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP COc1cccc(C[C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000528751787 1032744676 /nfs/dbraw/zinc/74/46/76/1032744676.db2.gz UTXZOHZFPFDSHH-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP COCC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000340530199 1018231157 /nfs/dbraw/zinc/23/11/57/1018231157.db2.gz VYNLMGHUKMYEMY-UHFFFAOYSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000472841784 1018238972 /nfs/dbraw/zinc/23/89/72/1018238972.db2.gz PVPWDPYURFTBSC-OAQYLSRUSA-N 2 1 341.543 3.636 20 0 EHADMP [NH3+]CC1C[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)s2)C1 ZINC001210542862 1018246300 /nfs/dbraw/zinc/24/63/00/1018246300.db2.gz BVWXDLPLWZJHAX-UHFFFAOYSA-N 2 1 326.387 3.824 20 0 EHADMP Cc1nn(-c2ccncc2)cc1CN1CC(c2cccc(Cl)c2)C1 ZINC000449555551 1032790957 /nfs/dbraw/zinc/79/09/57/1032790957.db2.gz HZCXCCXXWQMGCY-UHFFFAOYSA-N 2 1 338.842 3.829 20 0 EHADMP Cc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398014171 1018950349 /nfs/dbraw/zinc/95/03/49/1018950349.db2.gz FJVFTCNDHTVAQQ-AVRDEDQJSA-N 2 1 333.479 3.867 20 0 EHADMP CCCCCOc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000340678896 1019196003 /nfs/dbraw/zinc/19/60/03/1019196003.db2.gz MLOOPUYWQQKSSN-UHFFFAOYSA-N 2 1 346.515 3.840 20 0 EHADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c3cc(Br)ccc23)C1 ZINC000656211798 1019304382 /nfs/dbraw/zinc/30/43/82/1019304382.db2.gz KXZGKNGWGFEHFT-BJHJDKERSA-N 2 1 334.261 3.749 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000513208139 1019413218 /nfs/dbraw/zinc/41/32/18/1019413218.db2.gz NHLMEOVAOYBXOH-WIYYLYMNSA-N 2 1 338.495 3.968 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000513208139 1019413231 /nfs/dbraw/zinc/41/32/31/1019413231.db2.gz NHLMEOVAOYBXOH-WIYYLYMNSA-N 2 1 338.495 3.968 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513220985 1019436626 /nfs/dbraw/zinc/43/66/26/1019436626.db2.gz AKJNPPOOCONSGO-OPYAIIAOSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513220985 1019436631 /nfs/dbraw/zinc/43/66/31/1019436631.db2.gz AKJNPPOOCONSGO-OPYAIIAOSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@@H]1C[C@@H](NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513225151 1019441894 /nfs/dbraw/zinc/44/18/94/1019441894.db2.gz ZVCCCLMYGMDBGU-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H](NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225151 1019441903 /nfs/dbraw/zinc/44/19/03/1019441903.db2.gz ZVCCCLMYGMDBGU-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H](NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225151 1019441916 /nfs/dbraw/zinc/44/19/16/1019441916.db2.gz ZVCCCLMYGMDBGU-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000580501558 1019513716 /nfs/dbraw/zinc/51/37/16/1019513716.db2.gz KBAPVLHNNLDMJW-SBHAEUEKSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000580501558 1019513731 /nfs/dbraw/zinc/51/37/31/1019513731.db2.gz KBAPVLHNNLDMJW-SBHAEUEKSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000580501558 1019513743 /nfs/dbraw/zinc/51/37/43/1019513743.db2.gz KBAPVLHNNLDMJW-SBHAEUEKSA-N 2 1 331.548 3.607 20 0 EHADMP COCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513429442 1019655053 /nfs/dbraw/zinc/65/50/53/1019655053.db2.gz GAUNXDHRZNDHIN-NRFANRHFSA-N 2 1 330.516 3.921 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513429442 1019655060 /nfs/dbraw/zinc/65/50/60/1019655060.db2.gz GAUNXDHRZNDHIN-NRFANRHFSA-N 2 1 330.516 3.921 20 0 EHADMP Cc1csc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513506852 1019749783 /nfs/dbraw/zinc/74/97/83/1019749783.db2.gz SAJSEPGSDTZOEY-SJLPKXTDSA-N 2 1 329.513 3.842 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)c1 ZINC000156187998 1020804216 /nfs/dbraw/zinc/80/42/16/1020804216.db2.gz CESNNDQXPCXURX-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Br)cs1 ZINC000296645235 1021010211 /nfs/dbraw/zinc/01/02/11/1021010211.db2.gz YKCKHUJTMSUXLA-NSNUZPRRSA-N 2 1 329.307 3.786 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Br)cs1 ZINC000296645235 1021010215 /nfs/dbraw/zinc/01/02/15/1021010215.db2.gz YKCKHUJTMSUXLA-NSNUZPRRSA-N 2 1 329.307 3.786 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502776 1021090793 /nfs/dbraw/zinc/09/07/93/1021090793.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502776 1021090799 /nfs/dbraw/zinc/09/07/99/1021090799.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCCN(C)C1)C2 ZINC001279502776 1021090803 /nfs/dbraw/zinc/09/08/03/1021090803.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCN(C)C1)C2 ZINC001279502776 1021090809 /nfs/dbraw/zinc/09/08/09/1021090809.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502776 1021090813 /nfs/dbraw/zinc/09/08/13/1021090813.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502776 1021090816 /nfs/dbraw/zinc/09/08/16/1021090816.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502776 1021090819 /nfs/dbraw/zinc/09/08/19/1021090819.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502776 1021090822 /nfs/dbraw/zinc/09/08/22/1021090822.db2.gz WVYQARGCOWDXES-NCYKPQTJSA-N 2 1 335.580 3.551 20 0 EHADMP CSC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000518450974 1021187892 /nfs/dbraw/zinc/18/78/92/1021187892.db2.gz KMDWWNJQAJGDAX-RBUKOAKNSA-N 2 1 330.541 3.726 20 0 EHADMP CSC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000518450974 1021187898 /nfs/dbraw/zinc/18/78/98/1021187898.db2.gz KMDWWNJQAJGDAX-RBUKOAKNSA-N 2 1 330.541 3.726 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H](C)c2ccc(F)cc2)cc1 ZINC000414892115 1021253701 /nfs/dbraw/zinc/25/37/01/1021253701.db2.gz WJQARSLEBCPHMA-JHVJFLLYSA-N 2 1 342.458 3.673 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422213 1021254893 /nfs/dbraw/zinc/25/48/93/1021254893.db2.gz PBESQUVBNBVJPW-LSTDLKDCSA-N 2 1 330.520 3.909 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422213 1021254901 /nfs/dbraw/zinc/25/49/01/1021254901.db2.gz PBESQUVBNBVJPW-LSTDLKDCSA-N 2 1 330.520 3.909 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c[nH+]c1N1CCCC[C@H]1C ZINC000507422251 1021255207 /nfs/dbraw/zinc/25/52/07/1021255207.db2.gz PBESQUVBNBVJPW-VXIBKDFQSA-N 2 1 330.520 3.909 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c[nH+]c1N1CCCC[C@H]1C ZINC000507422251 1021255220 /nfs/dbraw/zinc/25/52/20/1021255220.db2.gz PBESQUVBNBVJPW-VXIBKDFQSA-N 2 1 330.520 3.909 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507498154 1021295581 /nfs/dbraw/zinc/29/55/81/1021295581.db2.gz UNSXVJDQEFCUSN-CBPXPLCBSA-N 2 1 344.543 3.674 20 0 EHADMP CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414991239 1021295834 /nfs/dbraw/zinc/29/58/34/1021295834.db2.gz AUJHRKQCPICROW-AZUAARDMSA-N 2 1 342.458 3.707 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]1 ZINC000656788101 1021349102 /nfs/dbraw/zinc/34/91/02/1021349102.db2.gz BKYCGAGCSYCSQW-HUUCEWRRSA-N 2 1 327.497 3.556 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000684369980 1021368846 /nfs/dbraw/zinc/36/88/46/1021368846.db2.gz HCUGWCXSBWKYNF-DZFGPLHGSA-N 2 1 330.516 3.966 20 0 EHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ncc(C(F)(F)F)cc3Cl)C[C@H]2CC1 ZINC001279108741 1021456586 /nfs/dbraw/zinc/45/65/86/1021456586.db2.gz VYACXFKTABBXSS-TXEJJXNPSA-N 2 1 347.812 3.527 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ncc(C(F)(F)F)cc3Cl)C[C@H]2CC1 ZINC001279108741 1021456592 /nfs/dbraw/zinc/45/65/92/1021456592.db2.gz VYACXFKTABBXSS-TXEJJXNPSA-N 2 1 347.812 3.527 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ncc(C(F)(F)F)cc3Cl)C[C@H]2CC1 ZINC001279108741 1021456597 /nfs/dbraw/zinc/45/65/97/1021456597.db2.gz VYACXFKTABBXSS-TXEJJXNPSA-N 2 1 347.812 3.527 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)cc1O ZINC000426418591 1021532397 /nfs/dbraw/zinc/53/23/97/1021532397.db2.gz HITSUMJVYCUOEY-QFBILLFUSA-N 2 1 348.531 3.822 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430648883 1021613729 /nfs/dbraw/zinc/61/37/29/1021613729.db2.gz RITIPSSOPYDKGU-OAHLLOKOSA-N 2 1 344.421 3.796 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(CO)cc3)cc2)C1 ZINC000638363922 1021693889 /nfs/dbraw/zinc/69/38/89/1021693889.db2.gz STTAQHWFYUWYLE-GOSISDBHSA-N 2 1 338.495 3.701 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430656422 1021751072 /nfs/dbraw/zinc/75/10/72/1021751072.db2.gz UCTVTLBWNNPEPF-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430656422 1021751085 /nfs/dbraw/zinc/75/10/85/1021751085.db2.gz UCTVTLBWNNPEPF-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000276652129 1022053399 /nfs/dbraw/zinc/05/33/99/1022053399.db2.gz MLXGFFPAYLEJQI-RDJZCZTQSA-N 2 1 337.389 3.907 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471761960 1022068637 /nfs/dbraw/zinc/06/86/37/1022068637.db2.gz SJCKDUZJRKRTBK-DLBZAZTESA-N 2 1 337.389 3.907 20 0 EHADMP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070453 1022094717 /nfs/dbraw/zinc/09/47/17/1022094717.db2.gz LJCGKRAAZGZYPD-LBPRGKRZSA-N 2 1 331.287 3.884 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000441277049 1022123524 /nfs/dbraw/zinc/12/35/24/1022123524.db2.gz JISLYDIHTBQXNK-UHFFFAOYSA-N 2 1 342.270 3.899 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000441277049 1022123532 /nfs/dbraw/zinc/12/35/32/1022123532.db2.gz JISLYDIHTBQXNK-UHFFFAOYSA-N 2 1 342.270 3.899 20 0 EHADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969492 1022333182 /nfs/dbraw/zinc/33/31/82/1022333182.db2.gz DEQROFNBTGMYAB-FAXKSRBJSA-N 2 1 328.500 3.708 20 0 EHADMP FC(F)(F)Oc1cccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000438078244 1022366682 /nfs/dbraw/zinc/36/66/82/1022366682.db2.gz WYYBCDPTVMNDLI-MRXNPFEDSA-N 2 1 342.405 3.545 20 0 EHADMP Cc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001167994788 1022406898 /nfs/dbraw/zinc/40/68/98/1022406898.db2.gz OTFSDWNVZDGQRC-JKWVGCSGSA-N 2 1 325.500 3.932 20 0 EHADMP Cc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167994788 1022406906 /nfs/dbraw/zinc/40/69/06/1022406906.db2.gz OTFSDWNVZDGQRC-JKWVGCSGSA-N 2 1 325.500 3.932 20 0 EHADMP Cc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167994788 1022406916 /nfs/dbraw/zinc/40/69/16/1022406916.db2.gz OTFSDWNVZDGQRC-JKWVGCSGSA-N 2 1 325.500 3.932 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000550097145 1022421786 /nfs/dbraw/zinc/42/17/86/1022421786.db2.gz QRQIHWIORJDWNZ-FHLIZLRMSA-N 2 1 349.316 3.523 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000550097145 1022421791 /nfs/dbraw/zinc/42/17/91/1022421791.db2.gz QRQIHWIORJDWNZ-FHLIZLRMSA-N 2 1 349.316 3.523 20 0 EHADMP c1ccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995358 1022422260 /nfs/dbraw/zinc/42/22/60/1022422260.db2.gz CEMGVMLCVQHNBL-KXZRCVDZSA-N 2 1 326.484 3.545 20 0 EHADMP c1ccc(O[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995358 1022422272 /nfs/dbraw/zinc/42/22/72/1022422272.db2.gz CEMGVMLCVQHNBL-KXZRCVDZSA-N 2 1 326.484 3.545 20 0 EHADMP c1ccc(O[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995358 1022422281 /nfs/dbraw/zinc/42/22/81/1022422281.db2.gz CEMGVMLCVQHNBL-KXZRCVDZSA-N 2 1 326.484 3.545 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000894554487 1022543639 /nfs/dbraw/zinc/54/36/39/1022543639.db2.gz FHVQGBHCXYGCEH-IBGZPJMESA-N 2 1 341.499 3.937 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000894554487 1022543652 /nfs/dbraw/zinc/54/36/52/1022543652.db2.gz FHVQGBHCXYGCEH-IBGZPJMESA-N 2 1 341.499 3.937 20 0 EHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131774364 1022619250 /nfs/dbraw/zinc/61/92/50/1022619250.db2.gz BSMKAWKPLDOQJX-CTXDPNEZSA-N 2 1 338.499 3.594 20 0 EHADMP CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836016 1022687604 /nfs/dbraw/zinc/68/76/04/1022687604.db2.gz IIMOLSDKZAONGT-FQEVSTJZSA-N 2 1 338.499 3.532 20 0 EHADMP CC1(C)C[N@H+](Cc2c[nH]cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836016 1022687607 /nfs/dbraw/zinc/68/76/07/1022687607.db2.gz IIMOLSDKZAONGT-FQEVSTJZSA-N 2 1 338.499 3.532 20 0 EHADMP CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836016 1022687614 /nfs/dbraw/zinc/68/76/14/1022687614.db2.gz IIMOLSDKZAONGT-FQEVSTJZSA-N 2 1 338.499 3.532 20 0 EHADMP CC1(C)C[N@H+]([C@H]2CCCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836100 1022689232 /nfs/dbraw/zinc/68/92/32/1022689232.db2.gz OCQZGUDMOJPQGB-SFTDATJTSA-N 2 1 342.527 3.788 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000449691018 1033077374 /nfs/dbraw/zinc/07/73/74/1033077374.db2.gz SYIIABZQKNNVCC-TZIWHRDSSA-N 2 1 330.516 3.661 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833602 1022748105 /nfs/dbraw/zinc/74/81/05/1022748105.db2.gz RBDRXMJNZRYMGW-HKUYNNGSSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833602 1022748116 /nfs/dbraw/zinc/74/81/16/1022748116.db2.gz RBDRXMJNZRYMGW-HKUYNNGSSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833602 1022748121 /nfs/dbraw/zinc/74/81/21/1022748121.db2.gz RBDRXMJNZRYMGW-HKUYNNGSSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833602 1022748124 /nfs/dbraw/zinc/74/81/24/1022748124.db2.gz RBDRXMJNZRYMGW-HKUYNNGSSA-N 2 1 346.515 3.703 20 0 EHADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639358 1022748583 /nfs/dbraw/zinc/74/85/83/1022748583.db2.gz OWROAHPUOSIGSI-SJORKVTESA-N 2 1 344.421 3.593 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)oc2c1 ZINC000426052538 1022781458 /nfs/dbraw/zinc/78/14/58/1022781458.db2.gz YKICMSRFVHKZFW-ZYSHUDEJSA-N 2 1 342.483 3.770 20 0 EHADMP CCn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccccc2)n1 ZINC000894748956 1022830934 /nfs/dbraw/zinc/83/09/34/1022830934.db2.gz VHABCYHKPWHXQK-YOFSQIOKSA-N 2 1 338.499 3.627 20 0 EHADMP CCn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccccc2)n1 ZINC000894748956 1022830971 /nfs/dbraw/zinc/83/09/71/1022830971.db2.gz VHABCYHKPWHXQK-YOFSQIOKSA-N 2 1 338.499 3.627 20 0 EHADMP CCn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2ccccc2)n1 ZINC000894748956 1022830984 /nfs/dbraw/zinc/83/09/84/1022830984.db2.gz VHABCYHKPWHXQK-YOFSQIOKSA-N 2 1 338.499 3.627 20 0 EHADMP CCn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccccc2)n1 ZINC000894748956 1022831001 /nfs/dbraw/zinc/83/10/01/1022831001.db2.gz VHABCYHKPWHXQK-YOFSQIOKSA-N 2 1 338.499 3.627 20 0 EHADMP C[C@@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430956675 1022956958 /nfs/dbraw/zinc/95/69/58/1022956958.db2.gz PNYVVYFEVCIYEX-HIFRSBDPSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000132985803 1023297916 /nfs/dbraw/zinc/29/79/16/1023297916.db2.gz FJCQEPVTSHBSOV-SNVBAGLBSA-N 2 1 331.685 3.662 20 0 EHADMP Oc1cccc2c(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc[nH+]c12 ZINC000684591560 1023598578 /nfs/dbraw/zinc/59/85/78/1023598578.db2.gz SVGVYTBUTBGSMH-KRWDZBQOSA-N 2 1 333.435 3.874 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)CO1 ZINC000897773120 1033159624 /nfs/dbraw/zinc/15/96/24/1033159624.db2.gz GOWHRVMHVTWCFN-ABZBVTFPSA-N 2 1 340.511 3.587 20 0 EHADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082367 1023890938 /nfs/dbraw/zinc/89/09/38/1023890938.db2.gz INWFDVPYXSZLJZ-USXIJHARSA-N 2 1 345.874 3.863 20 0 EHADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082367 1023890947 /nfs/dbraw/zinc/89/09/47/1023890947.db2.gz INWFDVPYXSZLJZ-USXIJHARSA-N 2 1 345.874 3.863 20 0 EHADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CCC2 ZINC001168001780 1023967234 /nfs/dbraw/zinc/96/72/34/1023967234.db2.gz HOCNRUXJAGQIMK-WCRBZPEASA-N 2 1 340.511 3.849 20 0 EHADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCC2 ZINC001168001780 1023967251 /nfs/dbraw/zinc/96/72/51/1023967251.db2.gz HOCNRUXJAGQIMK-WCRBZPEASA-N 2 1 340.511 3.849 20 0 EHADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCC2 ZINC001168001780 1023967263 /nfs/dbraw/zinc/96/72/63/1023967263.db2.gz HOCNRUXJAGQIMK-WCRBZPEASA-N 2 1 340.511 3.849 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2c(Br)cccc12 ZINC000443522454 1024099290 /nfs/dbraw/zinc/09/92/90/1024099290.db2.gz MEGXRKFSGDOSGI-NWDGAFQWSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000514096804 1024148876 /nfs/dbraw/zinc/14/88/76/1024148876.db2.gz XXAPPKGIEGJINT-ZIFCJYIRSA-N 2 1 332.536 3.989 20 0 EHADMP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178977436 1024173236 /nfs/dbraw/zinc/17/32/36/1024173236.db2.gz QEPNRRICIZQEBZ-MRXNPFEDSA-N 2 1 338.927 3.637 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048199 1024351798 /nfs/dbraw/zinc/35/17/98/1024351798.db2.gz UMEBHYDLFZKOEE-VFSLUADLSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377332 1024424601 /nfs/dbraw/zinc/42/46/01/1024424601.db2.gz DZQCBMYOEDRAIS-YJBOKZPZSA-N 2 1 344.528 3.757 20 0 EHADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377332 1024424606 /nfs/dbraw/zinc/42/46/06/1024424606.db2.gz DZQCBMYOEDRAIS-YJBOKZPZSA-N 2 1 344.528 3.757 20 0 EHADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCCC2)c(-c2ccccc2Cl)n1 ZINC000414857222 1024478935 /nfs/dbraw/zinc/47/89/35/1024478935.db2.gz BWWLRCMGSMWSLO-UHFFFAOYSA-N 2 1 346.906 3.882 20 0 EHADMP [NH3+]C1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCCCCC1 ZINC000414860186 1024523260 /nfs/dbraw/zinc/52/32/60/1024523260.db2.gz OSFSHDBBJUVZBC-UHFFFAOYSA-N 2 1 349.950 3.946 20 0 EHADMP Brc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205000808 1024564729 /nfs/dbraw/zinc/56/47/29/1024564729.db2.gz KUXMNLRSIKWPDL-RHSMWYFYSA-N 2 1 337.305 3.976 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156837417 1024611828 /nfs/dbraw/zinc/61/18/28/1024611828.db2.gz HAIQWBZPQCODCI-MRXNPFEDSA-N 2 1 334.504 3.625 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008825 1024625721 /nfs/dbraw/zinc/62/57/21/1024625721.db2.gz FZRKNTLJHSZNMG-YHELAOLJSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000346315640 1024639625 /nfs/dbraw/zinc/63/96/25/1024639625.db2.gz UKDPGQUSBMOKPJ-UHFFFAOYSA-N 2 1 336.277 3.865 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC000346315640 1024639631 /nfs/dbraw/zinc/63/96/31/1024639631.db2.gz UKDPGQUSBMOKPJ-UHFFFAOYSA-N 2 1 336.277 3.865 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262146328 1024681869 /nfs/dbraw/zinc/68/18/69/1024681869.db2.gz ZNWKHPVDWLUHDI-UHFFFAOYSA-N 2 1 334.891 3.704 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+]1C ZINC000427691197 1024737186 /nfs/dbraw/zinc/73/71/86/1024737186.db2.gz SXLLMOFSEYZVIQ-KFNAQCHYSA-N 2 1 327.394 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+]1C ZINC000427691197 1024737199 /nfs/dbraw/zinc/73/71/99/1024737199.db2.gz SXLLMOFSEYZVIQ-KFNAQCHYSA-N 2 1 327.394 3.550 20 0 EHADMP CCC(CC)[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000507878465 1024745339 /nfs/dbraw/zinc/74/53/39/1024745339.db2.gz PBHKGCGVJBBHLW-DAWZGUTISA-N 2 1 340.552 3.843 20 0 EHADMP Cc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CCC2)cc1 ZINC000427721593 1024755089 /nfs/dbraw/zinc/75/50/89/1024755089.db2.gz IOZQHXMUXFSUHD-JOCHJYFZSA-N 2 1 343.559 3.699 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602910166 1033241079 /nfs/dbraw/zinc/24/10/79/1033241079.db2.gz MJZPEYBOWVZEHX-UHFFFAOYSA-N 2 1 329.778 3.626 20 0 EHADMP CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435384381 1024867976 /nfs/dbraw/zinc/86/79/76/1024867976.db2.gz MMPQCSNFCQZKTF-HNNXBMFYSA-N 2 1 330.394 3.592 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000277390762 1024896278 /nfs/dbraw/zinc/89/62/78/1024896278.db2.gz GWVCNRORSDMITQ-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000277390762 1024896290 /nfs/dbraw/zinc/89/62/90/1024896290.db2.gz GWVCNRORSDMITQ-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000115611857 1024945779 /nfs/dbraw/zinc/94/57/79/1024945779.db2.gz FMXRFNITEVYINV-OAHLLOKOSA-N 2 1 328.431 3.968 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000115611857 1024945794 /nfs/dbraw/zinc/94/57/94/1024945794.db2.gz FMXRFNITEVYINV-OAHLLOKOSA-N 2 1 328.431 3.968 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000665254998 1024965164 /nfs/dbraw/zinc/96/51/64/1024965164.db2.gz GCHQPYXWOJDMGL-CZAAIQMYSA-N 2 1 342.483 3.735 20 0 EHADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639190770 1025084789 /nfs/dbraw/zinc/08/47/89/1025084789.db2.gz YTKZVFIHJYCVNY-FBBABVLZSA-N 2 1 329.532 3.673 20 0 EHADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639190770 1025084806 /nfs/dbraw/zinc/08/48/06/1025084806.db2.gz YTKZVFIHJYCVNY-FBBABVLZSA-N 2 1 329.532 3.673 20 0 EHADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639190770 1025084822 /nfs/dbraw/zinc/08/48/22/1025084822.db2.gz YTKZVFIHJYCVNY-FBBABVLZSA-N 2 1 329.532 3.673 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012546 1025122259 /nfs/dbraw/zinc/12/22/59/1025122259.db2.gz BWVIFFPMGKAPON-MIFYACCESA-N 2 1 330.394 3.554 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524596 1025162485 /nfs/dbraw/zinc/16/24/85/1025162485.db2.gz GDHDOGUSFPTGMB-UHFFFAOYSA-N 2 1 345.531 3.721 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000431353675 1025218741 /nfs/dbraw/zinc/21/87/41/1025218741.db2.gz WKAIYMZKJIOHNE-UZLBHIALSA-N 2 1 328.500 3.711 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039503 1025238512 /nfs/dbraw/zinc/23/85/12/1025238512.db2.gz GDRXGQRKMQNDFP-JYLXEMOASA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039503 1025238524 /nfs/dbraw/zinc/23/85/24/1025238524.db2.gz GDRXGQRKMQNDFP-JYLXEMOASA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039503 1025238537 /nfs/dbraw/zinc/23/85/37/1025238537.db2.gz GDRXGQRKMQNDFP-JYLXEMOASA-N 2 1 344.543 3.911 20 0 EHADMP C[C@H](CC[NH2+][C@H](Cc1ccccn1)c1cccnc1)[NH+]1CCCCC1 ZINC000346881731 1025251358 /nfs/dbraw/zinc/25/13/58/1025251358.db2.gz XPVFXIGDPHMFQV-WIYYLYMNSA-N 2 1 338.499 3.615 20 0 EHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000346938079 1025329810 /nfs/dbraw/zinc/32/98/10/1025329810.db2.gz HQAACUJLAYFJPK-GJZGRUSLSA-N 2 1 342.487 3.525 20 0 EHADMP COC[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168040727 1025336883 /nfs/dbraw/zinc/33/68/83/1025336883.db2.gz ORAKMKSMMIUNTD-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040727 1025336896 /nfs/dbraw/zinc/33/68/96/1025336896.db2.gz ORAKMKSMMIUNTD-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040727 1025336913 /nfs/dbraw/zinc/33/69/13/1025336913.db2.gz ORAKMKSMMIUNTD-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040727 1025336924 /nfs/dbraw/zinc/33/69/24/1025336924.db2.gz ORAKMKSMMIUNTD-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040727 1025336936 /nfs/dbraw/zinc/33/69/36/1025336936.db2.gz ORAKMKSMMIUNTD-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000453329845 1025350673 /nfs/dbraw/zinc/35/06/73/1025350673.db2.gz WKRLGTMQTYPQHN-YPAWHYETSA-N 2 1 338.495 3.973 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000453329845 1025350683 /nfs/dbraw/zinc/35/06/83/1025350683.db2.gz WKRLGTMQTYPQHN-YPAWHYETSA-N 2 1 338.495 3.973 20 0 EHADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000474706907 1025365199 /nfs/dbraw/zinc/36/51/99/1025365199.db2.gz INZSODUEKNGBPC-SPVGOVNVSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)C[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000474722078 1025388210 /nfs/dbraw/zinc/38/82/10/1025388210.db2.gz XCGFXRAAUKUGHD-JOCHJYFZSA-N 2 1 345.575 3.680 20 0 EHADMP C[C@@H]1CC([NH+]2CCC3(COC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041306 1025402482 /nfs/dbraw/zinc/40/24/82/1025402482.db2.gz RVWRESJTJPSBJA-QZTJIDSGSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1CC([NH+]2CCC3(COC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041314 1025404063 /nfs/dbraw/zinc/40/40/63/1025404063.db2.gz RVWRESJTJPSBJA-ROUUACIJSA-N 2 1 328.500 3.540 20 0 EHADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(C)C ZINC000347017810 1025414319 /nfs/dbraw/zinc/41/43/19/1025414319.db2.gz KMJRUTWNEWGPRU-DFNIBXOVSA-N 2 1 346.515 3.835 20 0 EHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(C)C ZINC000347017810 1025414326 /nfs/dbraw/zinc/41/43/26/1025414326.db2.gz KMJRUTWNEWGPRU-DFNIBXOVSA-N 2 1 346.515 3.835 20 0 EHADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)([NH+](C)C)C1 ZINC000442717339 1025451085 /nfs/dbraw/zinc/45/10/85/1025451085.db2.gz NPTXGYZAFJDLIV-VWKPWSFCSA-N 2 1 325.500 3.735 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474796206 1025472545 /nfs/dbraw/zinc/47/25/45/1025472545.db2.gz STRIZJBOJIWWBC-NRFANRHFSA-N 2 1 332.532 3.905 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000474804467 1025503617 /nfs/dbraw/zinc/50/36/17/1025503617.db2.gz OYAOPPMQTQNOTD-LSTDLKDCSA-N 2 1 336.545 3.926 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000474804467 1025503629 /nfs/dbraw/zinc/50/36/29/1025503629.db2.gz OYAOPPMQTQNOTD-LSTDLKDCSA-N 2 1 336.545 3.926 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436267140 1025506805 /nfs/dbraw/zinc/50/68/05/1025506805.db2.gz CBCIPQFVTBPZBC-OAHLLOKOSA-N 2 1 332.517 3.740 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@H](O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042002 1025537775 /nfs/dbraw/zinc/53/77/75/1025537775.db2.gz XPCDYVWUGWGFHK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042002 1025537790 /nfs/dbraw/zinc/53/77/90/1025537790.db2.gz XPCDYVWUGWGFHK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042002 1025537802 /nfs/dbraw/zinc/53/78/02/1025537802.db2.gz XPCDYVWUGWGFHK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042002 1025537817 /nfs/dbraw/zinc/53/78/17/1025537817.db2.gz XPCDYVWUGWGFHK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442872403 1025544833 /nfs/dbraw/zinc/54/48/33/1025544833.db2.gz NISDYSBPNUMONJ-KRWDZBQOSA-N 2 1 349.588 3.864 20 0 EHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000442873304 1025545082 /nfs/dbraw/zinc/54/50/82/1025545082.db2.gz KSZFEFCRYGQNOM-NRFANRHFSA-N 2 1 343.559 3.803 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000442874333 1025546304 /nfs/dbraw/zinc/54/63/04/1025546304.db2.gz MSYVZSBDLJYVJY-AWEZNQCLSA-N 2 1 349.906 3.763 20 0 EHADMP CCC[N@@H+](Cc1ccc(Br)c(F)c1)C1CC[NH2+]CC1 ZINC000347168265 1025606614 /nfs/dbraw/zinc/60/66/14/1025606614.db2.gz MBDMVHCFYMWCIE-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP O=C(CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000281889935 1025637429 /nfs/dbraw/zinc/63/74/29/1025637429.db2.gz AVINDURQNSZXQH-SFHVURJKSA-N 2 1 337.467 3.672 20 0 EHADMP CSC[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](CSC)C2)C1 ZINC000521742224 1025646262 /nfs/dbraw/zinc/64/62/62/1025646262.db2.gz IVCYRMHPHLMJMH-HDICACEKSA-N 2 1 344.634 3.917 20 0 EHADMP CSC[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](CSC)C2)C1 ZINC000521742224 1025646269 /nfs/dbraw/zinc/64/62/69/1025646269.db2.gz IVCYRMHPHLMJMH-HDICACEKSA-N 2 1 344.634 3.917 20 0 EHADMP CSC[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](CSC)C2)C1 ZINC000521742224 1025646273 /nfs/dbraw/zinc/64/62/73/1025646273.db2.gz IVCYRMHPHLMJMH-HDICACEKSA-N 2 1 344.634 3.917 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CCO[C@@H](C)C3)C[C@@H]21 ZINC001168128905 1025767935 /nfs/dbraw/zinc/76/79/35/1025767935.db2.gz UVFQIOYLZWPTET-LPKWFMKBSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CCO[C@@H](C)C3)C[C@@H]21 ZINC001168128905 1025767950 /nfs/dbraw/zinc/76/79/50/1025767950.db2.gz UVFQIOYLZWPTET-LPKWFMKBSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CCO[C@@H](C)C3)C[C@@H]21 ZINC001168128905 1025767966 /nfs/dbraw/zinc/76/79/66/1025767966.db2.gz UVFQIOYLZWPTET-LPKWFMKBSA-N 2 1 328.500 3.664 20 0 EHADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)cs2)cs1 ZINC000530460306 1025871935 /nfs/dbraw/zinc/87/19/35/1025871935.db2.gz JUKIGMABJCWFHU-LLVKDONJSA-N 2 1 332.498 3.807 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000530460141 1025872393 /nfs/dbraw/zinc/87/23/93/1025872393.db2.gz HWUQHSRTXRGYJA-RYUDHWBXSA-N 2 1 342.270 3.715 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000475189978 1026319502 /nfs/dbraw/zinc/31/95/02/1026319502.db2.gz DDFHBLPCVGKGMU-ZACQAIPSSA-N 2 1 338.923 3.923 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000475189978 1026319510 /nfs/dbraw/zinc/31/95/10/1026319510.db2.gz DDFHBLPCVGKGMU-ZACQAIPSSA-N 2 1 338.923 3.923 20 0 EHADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277100 1026347027 /nfs/dbraw/zinc/34/70/27/1026347027.db2.gz PCWIGQKWYDFMNW-BVYCBKJFSA-N 2 1 338.495 3.874 20 0 EHADMP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000475285691 1026441646 /nfs/dbraw/zinc/44/16/46/1026441646.db2.gz MNOALENMACWOMD-UYAOXDASSA-N 2 1 340.515 3.507 20 0 EHADMP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000475285688 1026441869 /nfs/dbraw/zinc/44/18/69/1026441869.db2.gz MNOALENMACWOMD-AZUAARDMSA-N 2 1 340.515 3.507 20 0 EHADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000182651460 1026553018 /nfs/dbraw/zinc/55/30/18/1026553018.db2.gz AROIPRCOEKZGNB-UYAOXDASSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182651460 1026553036 /nfs/dbraw/zinc/55/30/36/1026553036.db2.gz AROIPRCOEKZGNB-UYAOXDASSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182651460 1026553039 /nfs/dbraw/zinc/55/30/39/1026553039.db2.gz AROIPRCOEKZGNB-UYAOXDASSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182651460 1026553046 /nfs/dbraw/zinc/55/30/46/1026553046.db2.gz AROIPRCOEKZGNB-UYAOXDASSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182651460 1026553050 /nfs/dbraw/zinc/55/30/50/1026553050.db2.gz AROIPRCOEKZGNB-UYAOXDASSA-N 2 1 328.500 3.577 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000182665843 1026575049 /nfs/dbraw/zinc/57/50/49/1026575049.db2.gz UJXVYIXSQPRUET-IAGOWNOFSA-N 2 1 346.515 3.922 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935559 1026648896 /nfs/dbraw/zinc/64/88/96/1026648896.db2.gz GJNYYHHOSINVDF-PXNSSMCTSA-N 2 1 326.459 3.868 20 0 EHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000122775903 1026725428 /nfs/dbraw/zinc/72/54/28/1026725428.db2.gz QMHOFSZNRZHBER-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000122775903 1026725441 /nfs/dbraw/zinc/72/54/41/1026725441.db2.gz QMHOFSZNRZHBER-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000122775903 1026725446 /nfs/dbraw/zinc/72/54/46/1026725446.db2.gz QMHOFSZNRZHBER-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000122775903 1026725450 /nfs/dbraw/zinc/72/54/50/1026725450.db2.gz QMHOFSZNRZHBER-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305620111 1026861714 /nfs/dbraw/zinc/86/17/14/1026861714.db2.gz HHPSLWAYMQLGDJ-VQTJNVASSA-N 2 1 345.462 3.699 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305620111 1026861717 /nfs/dbraw/zinc/86/17/17/1026861717.db2.gz HHPSLWAYMQLGDJ-VQTJNVASSA-N 2 1 345.462 3.699 20 0 EHADMP COc1ccc([C@H](CNc2cc[nH+]cc2Cl)[NH+]2CCCC2)cc1 ZINC000301592166 1026864968 /nfs/dbraw/zinc/86/49/68/1026864968.db2.gz QXJPFAPDTREWOC-SFHVURJKSA-N 2 1 331.847 3.993 20 0 EHADMP COc1cccc2c(N3CCC(C[NH+]4CCCC4)CC3)cc(C)[nH+]c12 ZINC000301645112 1026886957 /nfs/dbraw/zinc/88/69/57/1026886957.db2.gz COKRPPUSGNHLDQ-UHFFFAOYSA-N 2 1 339.483 3.864 20 0 EHADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000302022511 1027025868 /nfs/dbraw/zinc/02/58/68/1027025868.db2.gz GFAMXOMTJXEOME-UHFFFAOYSA-N 2 1 346.478 3.823 20 0 EHADMP CCc1cc(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000302033344 1027028639 /nfs/dbraw/zinc/02/86/39/1027028639.db2.gz DCCTUTSLYJDDNT-IBGZPJMESA-N 2 1 340.471 3.605 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845552 1027142991 /nfs/dbraw/zinc/14/29/91/1027142991.db2.gz SAJWWOAHHIMPDM-BVYCBKJFSA-N 2 1 338.495 3.529 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)CCCC2)CC1 ZINC000531719501 1027267945 /nfs/dbraw/zinc/26/79/45/1027267945.db2.gz XGXJBYIAYNLFDQ-OALUTQOASA-N 2 1 334.548 3.968 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000273150852 1027285473 /nfs/dbraw/zinc/28/54/73/1027285473.db2.gz HQGVNGCWMBVJJN-IEBWSBKVSA-N 2 1 348.506 3.627 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ncc(-c2ccccc2)n1C ZINC000453071558 1027288546 /nfs/dbraw/zinc/28/85/46/1027288546.db2.gz CRHAGYYQTPPTNY-QGZVFWFLSA-N 2 1 348.494 4.000 20 0 EHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CCCC4)C3)C2)c1 ZINC000501465740 1027295001 /nfs/dbraw/zinc/29/50/01/1027295001.db2.gz GRKNISXKDSQWHV-HMXCVIKNSA-N 2 1 327.516 3.962 20 0 EHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CCCC4)C3)C2)c1 ZINC000501465740 1027295009 /nfs/dbraw/zinc/29/50/09/1027295009.db2.gz GRKNISXKDSQWHV-HMXCVIKNSA-N 2 1 327.516 3.962 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562855 1027306223 /nfs/dbraw/zinc/30/62/23/1027306223.db2.gz JIUFNMOIMKLHQJ-WOJBJXKFSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562855 1027306238 /nfs/dbraw/zinc/30/62/38/1027306238.db2.gz JIUFNMOIMKLHQJ-WOJBJXKFSA-N 2 1 341.543 3.646 20 0 EHADMP Cc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000420281529 1027441341 /nfs/dbraw/zinc/44/13/41/1027441341.db2.gz AALGXAGVOPHDON-GOSISDBHSA-N 2 1 346.906 3.911 20 0 EHADMP Cc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000420281529 1027441351 /nfs/dbraw/zinc/44/13/51/1027441351.db2.gz AALGXAGVOPHDON-GOSISDBHSA-N 2 1 346.906 3.911 20 0 EHADMP FC(F)(F)CCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420301322 1027449998 /nfs/dbraw/zinc/44/99/98/1027449998.db2.gz APOMBDGPEFRCQT-ZDUSSCGKSA-N 2 1 347.450 3.820 20 0 EHADMP COc1ccc(CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC(C)C)cc1OC ZINC000420309980 1027457807 /nfs/dbraw/zinc/45/78/07/1027457807.db2.gz UPYALHPSIZFPHN-IBGZPJMESA-N 2 1 348.531 3.594 20 0 EHADMP CC[N@H+](Cc1cncc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420317513 1027463091 /nfs/dbraw/zinc/46/30/91/1027463091.db2.gz UUGGHHNZIXGEBZ-HXUWFJFHSA-N 2 1 339.483 3.625 20 0 EHADMP CC[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420317513 1027463100 /nfs/dbraw/zinc/46/31/00/1027463100.db2.gz UUGGHHNZIXGEBZ-HXUWFJFHSA-N 2 1 339.483 3.625 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000420322105 1027469727 /nfs/dbraw/zinc/46/97/27/1027469727.db2.gz RXEKEHTXBLHGLE-QUCCMNQESA-N 2 1 342.508 3.528 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319913 1027470246 /nfs/dbraw/zinc/47/02/46/1027470246.db2.gz AYNNGDJNAMJVQE-KFWWJZLASA-N 2 1 337.305 3.832 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000501770880 1027518816 /nfs/dbraw/zinc/51/88/16/1027518816.db2.gz DSCFIHVALGYKNZ-UHFFFAOYSA-N 2 1 340.458 3.535 20 0 EHADMP Clc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420403418 1027522053 /nfs/dbraw/zinc/52/20/53/1027522053.db2.gz RJPMZOJKVQWMIO-BEFAXECRSA-N 2 1 345.874 3.959 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420403418 1027522063 /nfs/dbraw/zinc/52/20/63/1027522063.db2.gz RJPMZOJKVQWMIO-BEFAXECRSA-N 2 1 345.874 3.959 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420405567 1027525153 /nfs/dbraw/zinc/52/51/53/1027525153.db2.gz TXHXHDIRTIDHJE-AZUAARDMSA-N 2 1 328.500 3.778 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)CC1 ZINC000639758235 1027703969 /nfs/dbraw/zinc/70/39/69/1027703969.db2.gz RDRCCNNBSACTKL-UHFFFAOYSA-N 2 1 342.405 3.545 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414654312 1027715591 /nfs/dbraw/zinc/71/55/91/1027715591.db2.gz BWRBXGAXZWVFMG-RXVVDRJESA-N 2 1 338.495 3.867 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656620 1027720767 /nfs/dbraw/zinc/72/07/67/1027720767.db2.gz IXJBCZOKRGPSLQ-APWZRJJASA-N 2 1 340.515 3.647 20 0 EHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656620 1027720792 /nfs/dbraw/zinc/72/07/92/1027720792.db2.gz IXJBCZOKRGPSLQ-APWZRJJASA-N 2 1 340.515 3.647 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414656173 1027726245 /nfs/dbraw/zinc/72/62/45/1027726245.db2.gz MSPUGVFGFBPKSP-KRWDZBQOSA-N 2 1 340.515 3.601 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414656173 1027726262 /nfs/dbraw/zinc/72/62/62/1027726262.db2.gz MSPUGVFGFBPKSP-KRWDZBQOSA-N 2 1 340.515 3.601 20 0 EHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000909601950 1027745311 /nfs/dbraw/zinc/74/53/11/1027745311.db2.gz SFIQTVZQVBRFBT-HXUWFJFHSA-N 2 1 343.515 3.792 20 0 EHADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)[C@H](C)C2CC2)cc1 ZINC000342866317 1027747868 /nfs/dbraw/zinc/74/78/68/1027747868.db2.gz ZICMVGNTPJFNIR-MRXNPFEDSA-N 2 1 327.472 3.891 20 0 EHADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)[C@H](C)C2CC2)cc1 ZINC000342866317 1027747888 /nfs/dbraw/zinc/74/78/88/1027747888.db2.gz ZICMVGNTPJFNIR-MRXNPFEDSA-N 2 1 327.472 3.891 20 0 EHADMP C[N@H+](Cc1cccc(F)c1OCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000628163582 1027814844 /nfs/dbraw/zinc/81/48/44/1027814844.db2.gz JAAXDZWWGSLDCY-UHFFFAOYSA-N 2 1 348.384 3.540 20 0 EHADMP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000420914731 1027898148 /nfs/dbraw/zinc/89/81/48/1027898148.db2.gz CUMNZJXSILSNLK-UHFFFAOYSA-N 2 1 330.497 3.605 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2cccs2)CC1 ZINC000422742368 1027912483 /nfs/dbraw/zinc/91/24/83/1027912483.db2.gz GCSWWPOZUKINLN-RCCFBDPRSA-N 2 1 335.561 3.628 20 0 EHADMP C[C@H]1C[C@@H](C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414687973 1027920682 /nfs/dbraw/zinc/92/06/82/1027920682.db2.gz CJCDVLJWSLUIHR-HKUYNNGSSA-N 2 1 341.474 3.654 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690477 1027932898 /nfs/dbraw/zinc/93/28/98/1027932898.db2.gz ICSWAIMCGQEKLV-PBFPGSCMSA-N 2 1 343.298 3.755 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690477 1027932919 /nfs/dbraw/zinc/93/29/19/1027932919.db2.gz ICSWAIMCGQEKLV-PBFPGSCMSA-N 2 1 343.298 3.755 20 0 EHADMP CC[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422813943 1027962109 /nfs/dbraw/zinc/96/21/09/1027962109.db2.gz ZGKLKOFVHCOGNL-QIJUGHKUSA-N 2 1 335.495 3.558 20 0 EHADMP c1ccc(C[NH+]2CCCCC2)c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422792203 1027963752 /nfs/dbraw/zinc/96/37/52/1027963752.db2.gz QYDCBZFYCMKTSI-BHIFYINESA-N 2 1 341.543 3.683 20 0 EHADMP CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422827817 1027971423 /nfs/dbraw/zinc/97/14/23/1027971423.db2.gz NMSKGNUHHVTIDD-VQIMIIECSA-N 2 1 342.483 3.532 20 0 EHADMP C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000422826639 1027972323 /nfs/dbraw/zinc/97/23/23/1027972323.db2.gz RELVGDNDRHESPT-NJDAHSKKSA-N 3 1 333.564 3.684 20 0 EHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422856215 1027990017 /nfs/dbraw/zinc/99/00/17/1027990017.db2.gz DXGGYBOYKBTOPT-WMZOPIPTSA-N 2 1 343.858 3.711 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000422875771 1028006820 /nfs/dbraw/zinc/00/68/20/1028006820.db2.gz DFSZPMDVXBIWKY-CABCVRRESA-N 2 1 344.890 3.633 20 0 EHADMP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc2c1 ZINC000422898401 1028035300 /nfs/dbraw/zinc/03/53/00/1028035300.db2.gz FARYYNSHEBTLCU-MELADBBJSA-N 2 1 335.904 3.960 20 0 EHADMP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657677653 1028059501 /nfs/dbraw/zinc/05/95/01/1028059501.db2.gz GBICYBJMNVZSAF-LJQANCHMSA-N 2 1 327.516 3.652 20 0 EHADMP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657677653 1028059518 /nfs/dbraw/zinc/05/95/18/1028059518.db2.gz GBICYBJMNVZSAF-LJQANCHMSA-N 2 1 327.516 3.652 20 0 EHADMP [NH3+][C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000422966127 1028078366 /nfs/dbraw/zinc/07/83/66/1028078366.db2.gz QRFWMIUWUVTRGJ-QRVBRYPASA-N 2 1 325.456 3.541 20 0 EHADMP CC1CC[NH+](C2CCC(N[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)CC1 ZINC000422967362 1028080123 /nfs/dbraw/zinc/08/01/23/1028080123.db2.gz PBKDWVYVZYBGFX-QGWLNKKWSA-N 2 1 327.516 3.764 20 0 EHADMP CC1CC[NH+](C2CCC([NH2+][C@H]3C[C@H](N)c4ccccc43)CC2)CC1 ZINC000422967362 1028080136 /nfs/dbraw/zinc/08/01/36/1028080136.db2.gz PBKDWVYVZYBGFX-QGWLNKKWSA-N 2 1 327.516 3.764 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423014923 1028127464 /nfs/dbraw/zinc/12/74/64/1028127464.db2.gz JLUIRAKCPUNICT-PLWAMTLXSA-N 2 1 342.527 3.588 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000423018932 1028128645 /nfs/dbraw/zinc/12/86/45/1028128645.db2.gz SMKVICWDMUEJQN-YRXWBPOGSA-N 2 1 330.378 3.529 20 0 EHADMP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])on1 ZINC000423040615 1028148966 /nfs/dbraw/zinc/14/89/66/1028148966.db2.gz HQPVLYSHIFTCDL-ZIAGYGMSSA-N 2 1 339.439 3.719 20 0 EHADMP Cc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1Br ZINC000423073222 1028161608 /nfs/dbraw/zinc/16/16/08/1028161608.db2.gz QZNZUJVFUFJECP-LBPRGKRZSA-N 2 1 348.288 3.770 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423050462 1028164231 /nfs/dbraw/zinc/16/42/31/1028164231.db2.gz LKABRGYIICWDAP-NUEKZKHPSA-N 2 1 346.906 3.627 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000423085531 1028172172 /nfs/dbraw/zinc/17/21/72/1028172172.db2.gz KTDSJWKYKWQWMK-FYYLOGMGSA-N 2 1 349.522 3.986 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)cc1F ZINC000423117932 1028188772 /nfs/dbraw/zinc/18/87/72/1028188772.db2.gz XWHZCGFIACKKQO-PRIDNEQBSA-N 2 1 342.458 3.628 20 0 EHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104312 1028196023 /nfs/dbraw/zinc/19/60/23/1028196023.db2.gz YGGGFYGOUDMWEI-JMLZYGAQSA-N 2 1 330.422 3.759 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421335 1028208004 /nfs/dbraw/zinc/20/80/04/1028208004.db2.gz XVEVZQMDZJHGBB-CMKODMSKSA-N 2 1 340.515 3.680 20 0 EHADMP CC(C)CCn1nc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c2ccccc21 ZINC000423153922 1028214742 /nfs/dbraw/zinc/21/47/42/1028214742.db2.gz ODGGGNHYSTXSTM-WMZOPIPTSA-N 2 1 328.504 3.560 20 0 EHADMP CCCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OCC ZINC000414719730 1028226845 /nfs/dbraw/zinc/22/68/45/1028226845.db2.gz WGDIRGLOUOPIKN-SFHVURJKSA-N 2 1 334.504 3.838 20 0 EHADMP Clc1cc(Br)ccc1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC000423184660 1028229385 /nfs/dbraw/zinc/22/93/85/1028229385.db2.gz MNRPOBHPNWEUGK-HNNXBMFYSA-N 2 1 343.696 3.895 20 0 EHADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423175778 1028244577 /nfs/dbraw/zinc/24/45/77/1028244577.db2.gz FCCQVHVBNXZMCT-BHYGNILZSA-N 2 1 337.305 3.768 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423189010 1028259484 /nfs/dbraw/zinc/25/94/84/1028259484.db2.gz OINSEGAKVRRELU-HNNXBMFYSA-N 2 1 349.425 3.822 20 0 EHADMP CC(C)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(F)ccc1F ZINC000423192216 1028262549 /nfs/dbraw/zinc/26/25/49/1028262549.db2.gz UTSCIIPZULSODF-IBGZPJMESA-N 2 1 333.426 3.826 20 0 EHADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2Br)s1 ZINC000423192820 1028265702 /nfs/dbraw/zinc/26/57/02/1028265702.db2.gz UYZFVWFFMVKWFT-JTQLQIEISA-N 2 1 325.275 3.787 20 0 EHADMP C[N@@H+](Cc1cccc(OCc2ccccc2F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414727742 1028308505 /nfs/dbraw/zinc/30/85/05/1028308505.db2.gz AYBOFBRTWYTSKM-IBGZPJMESA-N 2 1 342.458 3.979 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423282108 1028323524 /nfs/dbraw/zinc/32/35/24/1028323524.db2.gz UWQQMMYADKQKOP-WCHWRFHJSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ncc(-c2ccccc2)n1C ZINC000423291330 1028328416 /nfs/dbraw/zinc/32/84/16/1028328416.db2.gz HWLGXEPVKLHNFS-JKSUJKDBSA-N 2 1 334.467 3.958 20 0 EHADMP C[N@@H+](Cc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000414730456 1028336141 /nfs/dbraw/zinc/33/61/41/1028336141.db2.gz DMRTVHPXKQJJNM-FQEVSTJZSA-N 2 1 342.458 3.979 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C1CC1 ZINC000423274410 1028336879 /nfs/dbraw/zinc/33/68/79/1028336879.db2.gz KJKNQZFHZCYIGK-GDBMZVCRSA-N 2 1 331.460 3.654 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H](C)C[NH3+])c2ccccc2Cl)cc1OC ZINC000423311472 1028347194 /nfs/dbraw/zinc/34/71/94/1028347194.db2.gz TYSDZLPIKKHZCO-BFUOFWGJSA-N 2 1 348.874 3.631 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000423321265 1028353553 /nfs/dbraw/zinc/35/35/53/1028353553.db2.gz FGJBDAKOPFIGMX-RRQGHBQHSA-N 2 1 344.421 3.851 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423298134 1028355164 /nfs/dbraw/zinc/35/51/64/1028355164.db2.gz NHJFUQNXNGUYHG-CRAIPNDOSA-N 2 1 334.508 3.728 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000423324220 1028362765 /nfs/dbraw/zinc/36/27/65/1028362765.db2.gz KIZVMEUASLEZHC-MAUKXSAKSA-N 2 1 342.487 3.613 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(OC)cc1)c1cccs1 ZINC000423332324 1028368268 /nfs/dbraw/zinc/36/82/68/1028368268.db2.gz NDWMTEARJDYCMY-FGTMMUONSA-N 2 1 330.497 3.943 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000423386666 1028402714 /nfs/dbraw/zinc/40/27/14/1028402714.db2.gz MHRKIMCLEUGRDS-UHFFFAOYSA-N 3 1 349.522 3.823 20 0 EHADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168265263 1028423658 /nfs/dbraw/zinc/42/36/58/1028423658.db2.gz QDQQDNHGXWCBAS-CZTZKLFOSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168265263 1028423665 /nfs/dbraw/zinc/42/36/65/1028423665.db2.gz QDQQDNHGXWCBAS-CZTZKLFOSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168265263 1028423675 /nfs/dbraw/zinc/42/36/75/1028423675.db2.gz QDQQDNHGXWCBAS-CZTZKLFOSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423441207 1028429619 /nfs/dbraw/zinc/42/96/19/1028429619.db2.gz BAQWHOHLQSLVPE-SCZZXKLOSA-N 2 1 339.199 3.856 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cc1 ZINC000423444925 1028432125 /nfs/dbraw/zinc/43/21/25/1028432125.db2.gz XZDFQPIFBBSECB-AOMKIAJQSA-N 2 1 346.478 3.718 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc2cc(OC)ccc2c1 ZINC000423435124 1028444770 /nfs/dbraw/zinc/44/47/70/1028444770.db2.gz SERJSATVHHKOIG-SFTDATJTSA-N 2 1 342.483 3.658 20 0 EHADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423506410 1028472204 /nfs/dbraw/zinc/47/22/04/1028472204.db2.gz IVCGKVSUIJXLLO-WWDZGPRUSA-N 2 1 347.572 3.666 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423494948 1028480446 /nfs/dbraw/zinc/48/04/46/1028480446.db2.gz SXGRLKUWKSWNJF-CZUORRHYSA-N 2 1 331.287 3.659 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000469215802 1028480699 /nfs/dbraw/zinc/48/06/99/1028480699.db2.gz RTTJNBPJHYCMPV-DENIHFKCSA-N 3 1 343.559 3.738 20 0 EHADMP CC[N@@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000469215802 1028480708 /nfs/dbraw/zinc/48/07/08/1028480708.db2.gz RTTJNBPJHYCMPV-DENIHFKCSA-N 2 1 343.559 3.738 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000469215802 1028480716 /nfs/dbraw/zinc/48/07/16/1028480716.db2.gz RTTJNBPJHYCMPV-DENIHFKCSA-N 2 1 343.559 3.738 20 0 EHADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000469215802 1028480731 /nfs/dbraw/zinc/48/07/31/1028480731.db2.gz RTTJNBPJHYCMPV-DENIHFKCSA-N 2 1 343.559 3.738 20 0 EHADMP CCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1 ZINC000423526116 1028498480 /nfs/dbraw/zinc/49/84/80/1028498480.db2.gz YXZRILPYWVMAFI-MHJFOBGBSA-N 2 1 349.950 3.987 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cnn1C(C)(C)C ZINC000423523936 1028499131 /nfs/dbraw/zinc/49/91/31/1028499131.db2.gz IZSVCFRZAGORCL-YRANDNPVSA-N 2 1 344.547 3.751 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238764 1028504759 /nfs/dbraw/zinc/50/47/59/1028504759.db2.gz OOKKAJFGRBMTPE-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238764 1028504768 /nfs/dbraw/zinc/50/47/68/1028504768.db2.gz OOKKAJFGRBMTPE-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC000532746521 1028763841 /nfs/dbraw/zinc/76/38/41/1028763841.db2.gz OKAXURNLINWIPA-VAMGGRTRSA-N 2 1 330.516 3.668 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CC12CCOCC2 ZINC000414773542 1028790962 /nfs/dbraw/zinc/79/09/62/1028790962.db2.gz AHFPCXVESVXCGB-OAQYLSRUSA-N 2 1 336.479 3.541 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000445436227 1028791576 /nfs/dbraw/zinc/79/15/76/1028791576.db2.gz PDOVBWYPQIHPPV-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000445436227 1028791588 /nfs/dbraw/zinc/79/15/88/1028791588.db2.gz PDOVBWYPQIHPPV-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436227 1028791596 /nfs/dbraw/zinc/79/15/96/1028791596.db2.gz PDOVBWYPQIHPPV-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436227 1028791603 /nfs/dbraw/zinc/79/16/03/1028791603.db2.gz PDOVBWYPQIHPPV-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC000414773990 1028796818 /nfs/dbraw/zinc/79/68/18/1028796818.db2.gz FAYFIDQPLHFQKU-UONOGXRCSA-N 2 1 330.369 3.666 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414776377 1028827609 /nfs/dbraw/zinc/82/76/09/1028827609.db2.gz HFJNDUJUKDBWRY-CHWSQXEVSA-N 2 1 343.334 3.641 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000421849288 1028875669 /nfs/dbraw/zinc/87/56/69/1028875669.db2.gz BNDDCEKFQGQFBD-QMCAAQAGSA-N 2 1 342.527 3.977 20 0 EHADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000248443660 1028903146 /nfs/dbraw/zinc/90/31/46/1028903146.db2.gz LPBXUIPOGNJFKQ-XHSDSOJGSA-N 2 1 342.487 3.525 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000248458092 1028910842 /nfs/dbraw/zinc/91/08/42/1028910842.db2.gz UKDWCLKRPFYRTH-NQIIRXRSSA-N 2 1 342.458 3.633 20 0 EHADMP c1csc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000424267579 1028923402 /nfs/dbraw/zinc/92/34/02/1028923402.db2.gz MQJHGJKVWFCQJJ-BZSNNMDCSA-N 2 1 327.497 3.643 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424289284 1028931907 /nfs/dbraw/zinc/93/19/07/1028931907.db2.gz BVMLPLMTBSSBPT-QZTJIDSGSA-N 2 1 329.513 3.748 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000502980590 1028940460 /nfs/dbraw/zinc/94/04/60/1028940460.db2.gz LMRWNNQEKIDLQH-WWGRRREGSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1csc([C@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277318 1028951007 /nfs/dbraw/zinc/95/10/07/1028951007.db2.gz BYNPEIAFUIXEQW-JKSUJKDBSA-N 2 1 333.476 3.513 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000248884514 1028959864 /nfs/dbraw/zinc/95/98/64/1028959864.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000248884514 1028959874 /nfs/dbraw/zinc/95/98/74/1028959874.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000248884514 1028959879 /nfs/dbraw/zinc/95/98/79/1028959879.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000248884514 1028959895 /nfs/dbraw/zinc/95/98/95/1028959895.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000248884514 1028959915 /nfs/dbraw/zinc/95/99/15/1028959915.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000248884514 1028959932 /nfs/dbraw/zinc/95/99/32/1028959932.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000248884514 1028959950 /nfs/dbraw/zinc/95/99/50/1028959950.db2.gz LTIOJWUAVOPEAU-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000124006476 1029095928 /nfs/dbraw/zinc/09/59/28/1029095928.db2.gz KHNYRJQVRFMGTI-QGZVFWFLSA-N 2 1 349.482 3.570 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728498 1029173130 /nfs/dbraw/zinc/17/31/30/1029173130.db2.gz VRTFRJTXIUVSCG-HZPDHXFCSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728498 1029173141 /nfs/dbraw/zinc/17/31/41/1029173141.db2.gz VRTFRJTXIUVSCG-HZPDHXFCSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728498 1029173150 /nfs/dbraw/zinc/17/31/50/1029173150.db2.gz VRTFRJTXIUVSCG-HZPDHXFCSA-N 2 1 333.545 3.686 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414802002 1029202038 /nfs/dbraw/zinc/20/20/38/1029202038.db2.gz VBZQJZQUGMUFDJ-GFCCVEGCSA-N 2 1 339.199 3.541 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000414809692 1029262857 /nfs/dbraw/zinc/26/28/57/1029262857.db2.gz MRFJDAZUNWPFAM-NSHDSACASA-N 2 1 337.236 3.898 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000124614672 1029283951 /nfs/dbraw/zinc/28/39/51/1029283951.db2.gz GXIPHXCAYYRZBA-MBOZVWFJSA-N 2 1 336.495 3.656 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1C ZINC000161781414 1029288008 /nfs/dbraw/zinc/28/80/08/1029288008.db2.gz CWAMOBKFAXPVTP-UHFFFAOYSA-N 2 1 338.495 3.800 20 0 EHADMP CC(C)(C)C[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245782815 1029293527 /nfs/dbraw/zinc/29/35/27/1029293527.db2.gz ZEYPIJUCNQHBGX-IYWMVGAKSA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000272101694 1029312381 /nfs/dbraw/zinc/31/23/81/1029312381.db2.gz HBZLCYATOMQDFC-UHFFFAOYSA-N 2 1 344.499 3.748 20 0 EHADMP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000272149896 1029333149 /nfs/dbraw/zinc/33/31/49/1029333149.db2.gz DEPJNHFBMCBGRH-AZUAARDMSA-N 2 1 348.494 3.643 20 0 EHADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(C)(C)CC2)c2cccs2)CC1 ZINC000524678630 1029418082 /nfs/dbraw/zinc/41/80/82/1029418082.db2.gz BUAGTOZWMJJEPF-KRWDZBQOSA-N 2 1 335.561 3.595 20 0 EHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000583257517 1029448023 /nfs/dbraw/zinc/44/80/23/1029448023.db2.gz UCXXYUQKKOMPDL-IZQPOCBFSA-N 2 1 338.451 3.749 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272441570 1029459517 /nfs/dbraw/zinc/45/95/17/1029459517.db2.gz TWJZOYSRYWLIMG-MZADTFQBSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272441570 1029459522 /nfs/dbraw/zinc/45/95/22/1029459522.db2.gz TWJZOYSRYWLIMG-MZADTFQBSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272441570 1029459527 /nfs/dbraw/zinc/45/95/27/1029459527.db2.gz TWJZOYSRYWLIMG-MZADTFQBSA-N 2 1 329.532 3.502 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2c(c1)COC2 ZINC000533207876 1029464717 /nfs/dbraw/zinc/46/47/17/1029464717.db2.gz GBXIEBLQLITKJI-UHFFFAOYSA-N 2 1 338.495 3.965 20 0 EHADMP Brc1ccc([C@@H]2CCC[N@H+]2CCCn2ccnc2)cc1 ZINC000343153343 1029514064 /nfs/dbraw/zinc/51/40/64/1029514064.db2.gz ZOVUYNFYFLHADC-INIZCTEOSA-N 2 1 334.261 3.873 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[NH+](CC[C@H]4CCC[N@@H+]4C)C3)nc2c1 ZINC000245966366 1029529324 /nfs/dbraw/zinc/52/93/24/1029529324.db2.gz DXQYJXMXIGFWHT-DLBZAZTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@H]4CCC[NH+]4C)C3)nc2c1 ZINC000245966366 1029529338 /nfs/dbraw/zinc/52/93/38/1029529338.db2.gz DXQYJXMXIGFWHT-DLBZAZTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@H]4CCC[NH+]4C)C3)nc2c1 ZINC000245966366 1029529348 /nfs/dbraw/zinc/52/93/48/1029529348.db2.gz DXQYJXMXIGFWHT-DLBZAZTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@H]4CCC[N@H+]4C)C3)[nH]c2c1 ZINC000245966366 1029529355 /nfs/dbraw/zinc/52/93/55/1029529355.db2.gz DXQYJXMXIGFWHT-DLBZAZTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@H]4CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000245966366 1029529367 /nfs/dbraw/zinc/52/93/67/1029529367.db2.gz DXQYJXMXIGFWHT-DLBZAZTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000245966366 1029529377 /nfs/dbraw/zinc/52/93/77/1029529377.db2.gz DXQYJXMXIGFWHT-DLBZAZTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000245966366 1029529384 /nfs/dbraw/zinc/52/93/84/1029529384.db2.gz DXQYJXMXIGFWHT-DLBZAZTESA-N 2 1 326.488 3.535 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125820643 1029614511 /nfs/dbraw/zinc/61/45/11/1029614511.db2.gz UDGULMFSYHCEHA-FUHWJXTLSA-N 2 1 334.504 3.865 20 0 EHADMP c1sc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1-c1ccccc1 ZINC000657750317 1029623587 /nfs/dbraw/zinc/62/35/87/1029623587.db2.gz GTPJXMTXSQPFNN-LJQANCHMSA-N 2 1 342.508 3.758 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000125900310 1029629962 /nfs/dbraw/zinc/62/99/62/1029629962.db2.gz MKXYQIZZFPTNAP-ROUUACIJSA-N 2 1 326.488 3.643 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750986 1029639740 /nfs/dbraw/zinc/63/97/40/1029639740.db2.gz MITGGRVNMSBOLA-QZEGLACASA-N 2 1 334.891 3.586 20 0 EHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001279151785 1029648002 /nfs/dbraw/zinc/64/80/02/1029648002.db2.gz VPJDLFFMVRDVRU-UHFFFAOYSA-N 2 1 339.483 3.511 20 0 EHADMP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708750 1029770684 /nfs/dbraw/zinc/77/06/84/1029770684.db2.gz DGLOAVJODRIFEH-JKLQHZFJSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H](NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720000 1029816890 /nfs/dbraw/zinc/81/68/90/1029816890.db2.gz QXNWZHHSMWIGRJ-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000453221465 1029932805 /nfs/dbraw/zinc/93/28/05/1029932805.db2.gz OYVOTAOAIZSXDM-LNLFQRSKSA-N 2 1 348.556 3.603 20 0 EHADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000635011702 1029958028 /nfs/dbraw/zinc/95/80/28/1029958028.db2.gz OVYYYFMFYRNRLT-MOPGFXCFSA-N 2 1 327.447 3.678 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(F)F ZINC000453332510 1030067059 /nfs/dbraw/zinc/06/70/59/1030067059.db2.gz AVVKSWAXFFQPIT-PRTUASRFSA-N 2 1 340.414 3.572 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC[N@H+]1C ZINC000531940253 1030106652 /nfs/dbraw/zinc/10/66/52/1030106652.db2.gz TXGHJLJYIOULNH-QFBILLFUSA-N 2 1 328.456 3.569 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531947139 1030115838 /nfs/dbraw/zinc/11/58/38/1030115838.db2.gz GFPZFQXGQMLVBW-IRXDYDNUSA-N 2 1 343.515 3.734 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000453339801 1030124607 /nfs/dbraw/zinc/12/46/07/1030124607.db2.gz GVUDWNIZYBEMTN-NPYXIHBLSA-N 2 1 349.316 3.960 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453351019 1030143572 /nfs/dbraw/zinc/14/35/72/1030143572.db2.gz GXAUBULQGKVIJF-KNQAVFIVSA-N 2 1 342.527 3.585 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000531976807 1030190557 /nfs/dbraw/zinc/19/05/57/1030190557.db2.gz PTBJYFPXUHTYMM-JBACZVJFSA-N 2 1 330.516 3.594 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000531976807 1030190580 /nfs/dbraw/zinc/19/05/80/1030190580.db2.gz PTBJYFPXUHTYMM-JBACZVJFSA-N 2 1 330.516 3.594 20 0 EHADMP Fc1cccc(F)c1CC1CC[NH+]([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453378122 1030199851 /nfs/dbraw/zinc/19/98/51/1030199851.db2.gz VMLPREFIRFEEDN-IAGOWNOFSA-N 2 1 334.454 3.846 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000525883117 1030203094 /nfs/dbraw/zinc/20/30/94/1030203094.db2.gz GBHYWYLNXSOAPM-UHFFFAOYSA-N 2 1 337.305 3.722 20 0 EHADMP Fc1cnccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772025 1030207546 /nfs/dbraw/zinc/20/75/46/1030207546.db2.gz ISUHCWZAKVCQOE-LJQANCHMSA-N 2 1 339.458 3.613 20 0 EHADMP Fc1cnccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772025 1030207563 /nfs/dbraw/zinc/20/75/63/1030207563.db2.gz ISUHCWZAKVCQOE-LJQANCHMSA-N 2 1 339.458 3.613 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453594463 1030355154 /nfs/dbraw/zinc/35/51/54/1030355154.db2.gz BXSLLCLCGWDYON-UHFFFAOYSA-N 2 1 340.515 3.960 20 0 EHADMP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000482488207 1030470163 /nfs/dbraw/zinc/47/01/63/1030470163.db2.gz PYBMAVKUFGODDK-FXAWDEMLSA-N 2 1 329.532 3.837 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226271 1030493266 /nfs/dbraw/zinc/49/32/66/1030493266.db2.gz SFHIIMRPVIWQFZ-UONOGXRCSA-N 2 1 330.394 3.620 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000532246489 1030497510 /nfs/dbraw/zinc/49/75/10/1030497510.db2.gz NOGOROSUIRDNBY-FXAWDEMLSA-N 2 1 340.515 3.816 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000532246489 1030497522 /nfs/dbraw/zinc/49/75/22/1030497522.db2.gz NOGOROSUIRDNBY-FXAWDEMLSA-N 2 1 340.515 3.816 20 0 EHADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482553982 1030538912 /nfs/dbraw/zinc/53/89/12/1030538912.db2.gz HGEDITGESLJJAL-OXJNMPFZSA-N 2 1 346.490 3.684 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)CC1 ZINC000561976214 1030584228 /nfs/dbraw/zinc/58/42/28/1030584228.db2.gz WZFWQVXOWXJPBF-HNNXBMFYSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475694807 1030589832 /nfs/dbraw/zinc/58/98/32/1030589832.db2.gz PLZMYISQXVRRCJ-CQSZACIVSA-N 2 1 330.394 3.894 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000482629349 1030594667 /nfs/dbraw/zinc/59/46/67/1030594667.db2.gz MMYCLLPLEPVUQS-SYYKKAFVSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482629349 1030594673 /nfs/dbraw/zinc/59/46/73/1030594673.db2.gz MMYCLLPLEPVUQS-SYYKKAFVSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000482629349 1030594683 /nfs/dbraw/zinc/59/46/83/1030594683.db2.gz MMYCLLPLEPVUQS-SYYKKAFVSA-N 2 1 341.543 3.504 20 0 EHADMP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000482646151 1030605725 /nfs/dbraw/zinc/60/57/25/1030605725.db2.gz ZJRBWVOJZGGVED-YLJYHZDGSA-N 2 1 332.532 3.929 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639008 1030646563 /nfs/dbraw/zinc/64/65/63/1030646563.db2.gz CSMYPBBLQQORAX-CZUORRHYSA-N 2 1 340.895 3.519 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639008 1030646569 /nfs/dbraw/zinc/64/65/69/1030646569.db2.gz CSMYPBBLQQORAX-CZUORRHYSA-N 2 1 340.895 3.519 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639008 1030646580 /nfs/dbraw/zinc/64/65/80/1030646580.db2.gz CSMYPBBLQQORAX-CZUORRHYSA-N 2 1 340.895 3.519 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639008 1030646588 /nfs/dbraw/zinc/64/65/88/1030646588.db2.gz CSMYPBBLQQORAX-CZUORRHYSA-N 2 1 340.895 3.519 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000482708963 1030658376 /nfs/dbraw/zinc/65/83/76/1030658376.db2.gz AFNYCQDIFRYGBD-TYPHKJRUSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708963 1030658381 /nfs/dbraw/zinc/65/83/81/1030658381.db2.gz AFNYCQDIFRYGBD-TYPHKJRUSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708963 1030658387 /nfs/dbraw/zinc/65/83/87/1030658387.db2.gz AFNYCQDIFRYGBD-TYPHKJRUSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708963 1030658393 /nfs/dbraw/zinc/65/83/93/1030658393.db2.gz AFNYCQDIFRYGBD-TYPHKJRUSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708963 1030658398 /nfs/dbraw/zinc/65/83/98/1030658398.db2.gz AFNYCQDIFRYGBD-TYPHKJRUSA-N 2 1 332.532 3.768 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000550887558 1030763439 /nfs/dbraw/zinc/76/34/39/1030763439.db2.gz YRHOTGZCWLDBHN-MHJFOBGBSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)ccc1F ZINC000643458820 1030783183 /nfs/dbraw/zinc/78/31/83/1030783183.db2.gz OZOZNUGAQDGBNE-CYFNAFFESA-N 2 1 344.405 3.871 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000537648088 1030787025 /nfs/dbraw/zinc/78/70/25/1030787025.db2.gz QYYUJZJOASEJQC-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000537648088 1030787042 /nfs/dbraw/zinc/78/70/42/1030787042.db2.gz QYYUJZJOASEJQC-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000537648088 1030787059 /nfs/dbraw/zinc/78/70/59/1030787059.db2.gz QYYUJZJOASEJQC-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438394 1030927387 /nfs/dbraw/zinc/92/73/87/1030927387.db2.gz AUHMYVFDVLZZSJ-SFHVURJKSA-N 2 1 335.451 3.830 20 0 EHADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000648438394 1030927403 /nfs/dbraw/zinc/92/74/03/1030927403.db2.gz AUHMYVFDVLZZSJ-SFHVURJKSA-N 2 1 335.451 3.830 20 0 EHADMP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000648438476 1030927687 /nfs/dbraw/zinc/92/76/87/1030927687.db2.gz PFPUXVNXDZSIHQ-NYLDSWQDSA-N 2 1 330.516 3.693 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680926 1030965006 /nfs/dbraw/zinc/96/50/06/1030965006.db2.gz UYGBNMVOWLNIOO-ZFWWWQNUSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680926 1030965016 /nfs/dbraw/zinc/96/50/16/1030965016.db2.gz UYGBNMVOWLNIOO-ZFWWWQNUSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680926 1030965027 /nfs/dbraw/zinc/96/50/27/1030965027.db2.gz UYGBNMVOWLNIOO-ZFWWWQNUSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680926 1030965035 /nfs/dbraw/zinc/96/50/35/1030965035.db2.gz UYGBNMVOWLNIOO-ZFWWWQNUSA-N 2 1 328.859 3.663 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000483175071 1031012231 /nfs/dbraw/zinc/01/22/31/1031012231.db2.gz SXQZBMOUADNRCR-UHFFFAOYSA-N 2 1 343.309 3.986 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000483175071 1031012250 /nfs/dbraw/zinc/01/22/50/1031012250.db2.gz SXQZBMOUADNRCR-UHFFFAOYSA-N 2 1 343.309 3.986 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551084093 1031026415 /nfs/dbraw/zinc/02/64/15/1031026415.db2.gz SBCYSJGDUNDFNP-LSDHHAIUSA-N 2 1 332.435 3.707 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551084093 1031026424 /nfs/dbraw/zinc/02/64/24/1031026424.db2.gz SBCYSJGDUNDFNP-LSDHHAIUSA-N 2 1 332.435 3.707 20 0 EHADMP COC1(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCCCC1 ZINC000483267803 1031075765 /nfs/dbraw/zinc/07/57/65/1031075765.db2.gz CNLISEVZDVJNTJ-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP COC1(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000483267803 1031075781 /nfs/dbraw/zinc/07/57/81/1031075781.db2.gz CNLISEVZDVJNTJ-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP COC1(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000483267803 1031075801 /nfs/dbraw/zinc/07/58/01/1031075801.db2.gz CNLISEVZDVJNTJ-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527646164 1031076332 /nfs/dbraw/zinc/07/63/32/1031076332.db2.gz ROXJQSKPQVLBRW-WOJBJXKFSA-N 2 1 330.516 3.803 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(C(F)(F)F)c1 ZINC000527649031 1031076665 /nfs/dbraw/zinc/07/66/65/1031076665.db2.gz MZNAEJIMUDKBDP-UHFFFAOYSA-N 2 1 342.405 3.821 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CCOCC1 ZINC000527659752 1031084493 /nfs/dbraw/zinc/08/44/93/1031084493.db2.gz MGDNUKRESRDGTF-VQTJNVASSA-N 2 1 330.516 3.803 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000483316105 1031092177 /nfs/dbraw/zinc/09/21/77/1031092177.db2.gz SAGRZWQMBMGEIS-DYXWJJEUSA-N 2 1 332.532 3.825 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC ZINC000666968813 1031095111 /nfs/dbraw/zinc/09/51/11/1031095111.db2.gz JKGRTEUWZUZRDU-WDSOQIARSA-N 2 1 346.515 3.837 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3coc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000483482922 1031189063 /nfs/dbraw/zinc/18/90/63/1031189063.db2.gz DCLMKNLWCRNWHX-YJBOKZPZSA-N 2 1 345.874 3.911 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000278529508 1031249214 /nfs/dbraw/zinc/24/92/14/1031249214.db2.gz RNBDRTAHZIOHQZ-MRXNPFEDSA-N 2 1 330.497 3.754 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903206784 1031286820 /nfs/dbraw/zinc/28/68/20/1031286820.db2.gz MHRWJILCJCIZQD-FXAWDEMLSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903206784 1031286836 /nfs/dbraw/zinc/28/68/36/1031286836.db2.gz MHRWJILCJCIZQD-FXAWDEMLSA-N 2 1 348.494 3.574 20 0 EHADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000163267719 1031365090 /nfs/dbraw/zinc/36/50/90/1031365090.db2.gz NBRZMTHXYYIIDJ-NQIIRXRSSA-N 2 1 329.532 3.502 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000527938442 1031460499 /nfs/dbraw/zinc/46/04/99/1031460499.db2.gz ZGFSBAPJUHOMMO-BHDDXSALSA-N 2 1 342.527 3.646 20 0 EHADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000343581246 1031491052 /nfs/dbraw/zinc/49/10/52/1031491052.db2.gz WSIXMDLBDOTZEG-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000343581246 1031491064 /nfs/dbraw/zinc/49/10/64/1031491064.db2.gz WSIXMDLBDOTZEG-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000343581246 1031491071 /nfs/dbraw/zinc/49/10/71/1031491071.db2.gz WSIXMDLBDOTZEG-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000527982150 1031518762 /nfs/dbraw/zinc/51/87/62/1031518762.db2.gz QWSXOIYKYOOKLQ-BONVTDFDSA-N 2 1 347.247 3.547 20 0 EHADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000527989306 1031549472 /nfs/dbraw/zinc/54/94/72/1031549472.db2.gz XGEYSBDSJKZDGG-VSKRKVRLSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C[C@H](C)O1 ZINC000657828684 1031717554 /nfs/dbraw/zinc/71/75/54/1031717554.db2.gz VLJBESRSBOJYRD-QKLQHJQFSA-N 2 1 348.556 3.671 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153131 1031860567 /nfs/dbraw/zinc/86/05/67/1031860567.db2.gz SAXCSTNEKRGNMT-DXWKEAIYSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180153131 1031860581 /nfs/dbraw/zinc/86/05/81/1031860581.db2.gz SAXCSTNEKRGNMT-DXWKEAIYSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153131 1031860604 /nfs/dbraw/zinc/86/06/04/1031860604.db2.gz SAXCSTNEKRGNMT-DXWKEAIYSA-N 3 1 341.543 3.644 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H]1SC ZINC000459398134 1032038571 /nfs/dbraw/zinc/03/85/71/1032038571.db2.gz SYADDUFVRQXDCN-QRVBRYPASA-N 2 1 336.545 3.525 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459392466 1032051341 /nfs/dbraw/zinc/05/13/41/1032051341.db2.gz UIFUITPVCDKXKE-VBSBHUPXSA-N 2 1 348.556 3.646 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000574670963 1033330559 /nfs/dbraw/zinc/33/05/59/1033330559.db2.gz KEJHTTPSHYUNKU-GJZGRUSLSA-N 2 1 339.911 3.762 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000574670963 1033330565 /nfs/dbraw/zinc/33/05/65/1033330565.db2.gz KEJHTTPSHYUNKU-GJZGRUSLSA-N 2 1 339.911 3.762 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000898113088 1033337531 /nfs/dbraw/zinc/33/75/31/1033337531.db2.gz ZFICITGMOXIVQZ-YZGWKJHDSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000898113088 1033337540 /nfs/dbraw/zinc/33/75/40/1033337540.db2.gz ZFICITGMOXIVQZ-YZGWKJHDSA-N 2 1 328.500 3.731 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000168245216 1033401112 /nfs/dbraw/zinc/40/11/12/1033401112.db2.gz NKZAZZJSZKSCOG-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000168245216 1033401128 /nfs/dbraw/zinc/40/11/28/1033401128.db2.gz NKZAZZJSZKSCOG-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000608061223 1033454433 /nfs/dbraw/zinc/45/44/33/1033454433.db2.gz HYLKUQPFMKLFGQ-LPHOPBHVSA-N 2 1 342.458 3.977 20 0 EHADMP c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339067485 1033506417 /nfs/dbraw/zinc/50/64/17/1033506417.db2.gz KNEFWHOWVHQZJF-QUCCMNQESA-N 2 1 346.478 3.742 20 0 EHADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000595006362 1033630339 /nfs/dbraw/zinc/63/03/39/1033630339.db2.gz JILWRFIMXPXOJY-QGZVFWFLSA-N 2 1 346.515 3.609 20 0 EHADMP CCCC[C@H](CC)COCCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001168114822 1033689266 /nfs/dbraw/zinc/68/92/66/1033689266.db2.gz ULDISGSDLKSTNC-SFHVURJKSA-N 2 1 348.535 3.526 20 0 EHADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348168 1033725526 /nfs/dbraw/zinc/72/55/26/1033725526.db2.gz ZFZSDXXXJOETGW-IEBWSBKVSA-N 2 1 329.513 3.624 20 0 EHADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348168 1033725540 /nfs/dbraw/zinc/72/55/40/1033725540.db2.gz ZFZSDXXXJOETGW-IEBWSBKVSA-N 2 1 329.513 3.624 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497438 1033727315 /nfs/dbraw/zinc/72/73/15/1033727315.db2.gz SSSXSWWECLSLSQ-ICSRJNTNSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497438 1033727331 /nfs/dbraw/zinc/72/73/31/1033727331.db2.gz SSSXSWWECLSLSQ-ICSRJNTNSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497438 1033727348 /nfs/dbraw/zinc/72/73/48/1033727348.db2.gz SSSXSWWECLSLSQ-ICSRJNTNSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497438 1033727361 /nfs/dbraw/zinc/72/73/61/1033727361.db2.gz SSSXSWWECLSLSQ-ICSRJNTNSA-N 2 1 329.532 3.839 20 0 EHADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621628 1033743606 /nfs/dbraw/zinc/74/36/06/1033743606.db2.gz MNCQOCZXMKAITA-FDFHNCONSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC[C@H]2O)CCN1Cc1ccccc1 ZINC000574986959 1033752786 /nfs/dbraw/zinc/75/27/86/1033752786.db2.gz VLPRFHBQGWVPFL-CWJKEVGVSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000574986959 1033752804 /nfs/dbraw/zinc/75/28/04/1033752804.db2.gz VLPRFHBQGWVPFL-CWJKEVGVSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000574986959 1033752820 /nfs/dbraw/zinc/75/28/20/1033752820.db2.gz VLPRFHBQGWVPFL-CWJKEVGVSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCC[C@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986959 1033752837 /nfs/dbraw/zinc/75/28/37/1033752837.db2.gz VLPRFHBQGWVPFL-CWJKEVGVSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC[C@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986959 1033752851 /nfs/dbraw/zinc/75/28/51/1033752851.db2.gz VLPRFHBQGWVPFL-CWJKEVGVSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)c(Cl)c1 ZINC000657983705 1033795630 /nfs/dbraw/zinc/79/56/30/1033795630.db2.gz ZCJARLBOJZSYLT-JTQLQIEISA-N 2 1 342.668 3.729 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C[C@@H]1c1ccccc1 ZINC000550665923 1033835098 /nfs/dbraw/zinc/83/50/98/1033835098.db2.gz RRFFOVDWMYTESR-SVFBPWRDSA-N 2 1 336.479 3.978 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C[C@@H]1c1ccccc1 ZINC000550665923 1033835110 /nfs/dbraw/zinc/83/51/10/1033835110.db2.gz RRFFOVDWMYTESR-SVFBPWRDSA-N 2 1 336.479 3.978 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCn2nccc21 ZINC000658004952 1033837392 /nfs/dbraw/zinc/83/73/92/1033837392.db2.gz VFEYFLBRCIPNEU-ICSRJNTNSA-N 2 1 338.499 3.608 20 0 EHADMP CC(C)CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658140414 1033987725 /nfs/dbraw/zinc/98/77/25/1033987725.db2.gz UEBMMLFHROQSJL-LEWJYISDSA-N 2 1 330.516 3.558 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000119162039 1034090125 /nfs/dbraw/zinc/09/01/25/1034090125.db2.gz FPBYFJBVSADGBO-XCTGESOMSA-N 2 1 336.907 3.570 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000120786475 1034105053 /nfs/dbraw/zinc/10/50/53/1034105053.db2.gz DKXZHZXHKWIMLT-KRWDZBQOSA-N 2 1 341.503 3.573 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000450363584 1034176100 /nfs/dbraw/zinc/17/61/00/1034176100.db2.gz KMJKDWQXULFNPL-CVEARBPZSA-N 2 1 325.456 3.695 20 0 EHADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000658316999 1034191504 /nfs/dbraw/zinc/19/15/04/1034191504.db2.gz UONUWFLVWXHVBC-KBRMVUAJSA-N 2 1 342.527 3.977 20 0 EHADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc(C(F)(F)F)c1 ZINC000529566846 1034220189 /nfs/dbraw/zinc/22/01/89/1034220189.db2.gz HXDZHGYGJLXPDY-UHFFFAOYSA-N 2 1 341.377 3.741 20 0 EHADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc(C(F)(F)F)c1 ZINC000529566846 1034220209 /nfs/dbraw/zinc/22/02/09/1034220209.db2.gz HXDZHGYGJLXPDY-UHFFFAOYSA-N 2 1 341.377 3.741 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827738 1034254677 /nfs/dbraw/zinc/25/46/77/1034254677.db2.gz LWIWKEZTULGBPC-BIRYMOPTSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827738 1034254692 /nfs/dbraw/zinc/25/46/92/1034254692.db2.gz LWIWKEZTULGBPC-BIRYMOPTSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827738 1034254708 /nfs/dbraw/zinc/25/47/08/1034254708.db2.gz LWIWKEZTULGBPC-BIRYMOPTSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827738 1034254722 /nfs/dbraw/zinc/25/47/22/1034254722.db2.gz LWIWKEZTULGBPC-BIRYMOPTSA-N 2 1 330.516 3.900 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000450409055 1034260902 /nfs/dbraw/zinc/26/09/02/1034260902.db2.gz WUUOIHQXIIDGFS-XWSHUIEDSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000450409055 1034260907 /nfs/dbraw/zinc/26/09/07/1034260907.db2.gz WUUOIHQXIIDGFS-XWSHUIEDSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000450409055 1034260920 /nfs/dbraw/zinc/26/09/20/1034260920.db2.gz WUUOIHQXIIDGFS-XWSHUIEDSA-N 2 1 344.543 3.737 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534238159 1034279789 /nfs/dbraw/zinc/27/97/89/1034279789.db2.gz ALAOZKDOLZEFFO-HXUWFJFHSA-N 2 1 349.950 3.581 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000450442324 1034337515 /nfs/dbraw/zinc/33/75/15/1034337515.db2.gz SPIVEBTULMSMGU-QGZVFWFLSA-N 2 1 332.463 3.596 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000450442324 1034337524 /nfs/dbraw/zinc/33/75/24/1034337524.db2.gz SPIVEBTULMSMGU-QGZVFWFLSA-N 2 1 332.463 3.596 20 0 EHADMP COc1nc2ccccc2cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534347841 1034422560 /nfs/dbraw/zinc/42/25/60/1034422560.db2.gz ZJACDPKHVHFSNY-UHFFFAOYSA-N 2 1 341.499 3.796 20 0 EHADMP COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)c1OC ZINC000340190460 1034441037 /nfs/dbraw/zinc/44/10/37/1034441037.db2.gz GMWBIBVNXWSXRD-MOPGFXCFSA-N 2 1 340.467 3.629 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375861959 1034758854 /nfs/dbraw/zinc/75/88/54/1034758854.db2.gz PWPROIOBFVWUCI-YHINDDMVSA-N 2 1 342.527 3.925 20 0 EHADMP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000308355130 1034808139 /nfs/dbraw/zinc/80/81/39/1034808139.db2.gz YIIWYQSZVJXHBQ-VKQJQLINSA-N 2 1 340.511 3.729 20 0 EHADMP CC(C)C1CCC([NH+]2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000472420777 1034828969 /nfs/dbraw/zinc/82/89/69/1034828969.db2.gz DWWCAGHLQSUVSZ-NYLDSWQDSA-N 2 1 335.580 3.693 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]21 ZINC000322843812 1034854780 /nfs/dbraw/zinc/85/47/80/1034854780.db2.gz MPKBMVZFZQEMKO-NUEKZKHPSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]21 ZINC000322843812 1034854792 /nfs/dbraw/zinc/85/47/92/1034854792.db2.gz MPKBMVZFZQEMKO-NUEKZKHPSA-N 2 1 331.847 3.554 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c(OC)c1 ZINC000065976605 1035047270 /nfs/dbraw/zinc/04/72/70/1035047270.db2.gz BNBSQHFQABFWEH-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP [NH3+]CCC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000570169533 1035101215 /nfs/dbraw/zinc/10/12/15/1035101215.db2.gz YSAZNXUBQHEUQD-UHFFFAOYSA-N 2 1 349.931 3.948 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414053829 1035409955 /nfs/dbraw/zinc/40/99/55/1035409955.db2.gz BABNCXGRQNEDCM-QGZVFWFLSA-N 2 1 338.499 3.666 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000449070097 1035470043 /nfs/dbraw/zinc/47/00/43/1035470043.db2.gz JFCBKHJXWRSJBM-UHFFFAOYSA-N 2 1 335.580 3.882 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000540660570 1035549953 /nfs/dbraw/zinc/54/99/53/1035549953.db2.gz OPTMZWCIHXUHFA-GUYCJALGSA-N 2 1 345.314 3.830 20 0 EHADMP Cc1nccnc1[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282266611 1035568811 /nfs/dbraw/zinc/56/88/11/1035568811.db2.gz AGWJGTAZVIPGAI-HKUYNNGSSA-N 2 1 338.499 3.736 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282266611 1035568826 /nfs/dbraw/zinc/56/88/26/1035568826.db2.gz AGWJGTAZVIPGAI-HKUYNNGSSA-N 2 1 338.499 3.736 20 0 EHADMP COC[C@@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1F ZINC000571668824 1035584027 /nfs/dbraw/zinc/58/40/27/1035584027.db2.gz XAHPPKSTAGNVMV-WMLDXEAASA-N 2 1 342.886 3.877 20 0 EHADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)[C@H]1CC1(C)C ZINC000414131854 1035688445 /nfs/dbraw/zinc/68/84/45/1035688445.db2.gz YKPVGKMIXGHMRP-MSOLQXFVSA-N 2 1 333.520 3.918 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414143045 1035758724 /nfs/dbraw/zinc/75/87/24/1035758724.db2.gz LGUJCMXWWWTEIY-WARAAXDBSA-N 2 1 328.500 3.728 20 0 EHADMP CC(C)(C)OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000540976172 1035862216 /nfs/dbraw/zinc/86/22/16/1035862216.db2.gz JIWKBWBAGBNZCR-HSALFYBXSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242346 1036054125 /nfs/dbraw/zinc/05/41/25/1036054125.db2.gz GAAFJTMTNSWCBI-WOJBJXKFSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242346 1036054144 /nfs/dbraw/zinc/05/41/44/1036054144.db2.gz GAAFJTMTNSWCBI-WOJBJXKFSA-N 2 1 344.543 3.960 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414233052 1036198583 /nfs/dbraw/zinc/19/85/83/1036198583.db2.gz QWHHMAZTERQJMN-YLJYHZDGSA-N 2 1 347.547 3.606 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414233052 1036198596 /nfs/dbraw/zinc/19/85/96/1036198596.db2.gz QWHHMAZTERQJMN-YLJYHZDGSA-N 2 1 347.547 3.606 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168387255 1036265639 /nfs/dbraw/zinc/26/56/39/1036265639.db2.gz AVHHHIFQAIFEAK-KRWDZBQOSA-N 2 1 338.499 3.781 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472571262 1036389525 /nfs/dbraw/zinc/38/95/25/1036389525.db2.gz OTJQEFBFDXBPFX-FXAWDEMLSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472571262 1036389542 /nfs/dbraw/zinc/38/95/42/1036389542.db2.gz OTJQEFBFDXBPFX-FXAWDEMLSA-N 2 1 349.950 3.893 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000414279787 1036434514 /nfs/dbraw/zinc/43/45/14/1036434514.db2.gz BLSFJVIWFJZXNI-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000414279787 1036434521 /nfs/dbraw/zinc/43/45/21/1036434521.db2.gz BLSFJVIWFJZXNI-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP CCn1nc(C)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000398154721 1036548018 /nfs/dbraw/zinc/54/80/18/1036548018.db2.gz QJZWOLBPRWGTDC-IERDGZPVSA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000398154721 1036548028 /nfs/dbraw/zinc/54/80/28/1036548028.db2.gz QJZWOLBPRWGTDC-IERDGZPVSA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000398154721 1036548035 /nfs/dbraw/zinc/54/80/35/1036548035.db2.gz QJZWOLBPRWGTDC-IERDGZPVSA-N 2 1 340.515 3.520 20 0 EHADMP CC[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746523 1036596492 /nfs/dbraw/zinc/59/64/92/1036596492.db2.gz YOVHLVIYBNYXGT-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746523 1036596507 /nfs/dbraw/zinc/59/65/07/1036596507.db2.gz YOVHLVIYBNYXGT-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746523 1036596520 /nfs/dbraw/zinc/59/65/20/1036596520.db2.gz YOVHLVIYBNYXGT-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000386233274 1036811309 /nfs/dbraw/zinc/81/13/09/1036811309.db2.gz AQXVFNZKDYVSHJ-LJQANCHMSA-N 2 1 331.463 3.981 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1 ZINC000177322403 1036814853 /nfs/dbraw/zinc/81/48/53/1036814853.db2.gz AFWCGYGOIANXFF-DYESRHJHSA-N 2 1 326.484 3.727 20 0 EHADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311241393 1036979409 /nfs/dbraw/zinc/97/94/09/1036979409.db2.gz WSOORHWSSHNASI-SFHVURJKSA-N 2 1 342.458 3.923 20 0 EHADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311241393 1036979421 /nfs/dbraw/zinc/97/94/21/1036979421.db2.gz WSOORHWSSHNASI-SFHVURJKSA-N 2 1 342.458 3.923 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000178101986 1036996377 /nfs/dbraw/zinc/99/63/77/1036996377.db2.gz IGZRTHXZICLZIN-UHFFFAOYSA-N 2 1 332.488 3.606 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000590787285 1037052122 /nfs/dbraw/zinc/05/21/22/1037052122.db2.gz YKXVJVLUGTYTRT-INIZCTEOSA-N 2 1 349.494 3.513 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786463 1037055039 /nfs/dbraw/zinc/05/50/39/1037055039.db2.gz BEJUSRCSFSHDEI-SFHVURJKSA-N 2 1 345.531 3.683 20 0 EHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786775 1037055695 /nfs/dbraw/zinc/05/56/95/1037055695.db2.gz MJIXGHSVEGONGF-UHFFFAOYSA-N 2 1 345.531 3.548 20 0 EHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786775 1037055706 /nfs/dbraw/zinc/05/57/06/1037055706.db2.gz MJIXGHSVEGONGF-UHFFFAOYSA-N 2 1 345.531 3.548 20 0 EHADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543873 1037098260 /nfs/dbraw/zinc/09/82/60/1037098260.db2.gz TVHWMRPXTCZQDD-CHWSQXEVSA-N 2 1 332.435 3.979 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145806 1037105655 /nfs/dbraw/zinc/10/56/55/1037105655.db2.gz HKHIBUQJLBJMAT-FPOVZHCZSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000542145806 1037105664 /nfs/dbraw/zinc/10/56/64/1037105664.db2.gz HKHIBUQJLBJMAT-FPOVZHCZSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145806 1037105669 /nfs/dbraw/zinc/10/56/69/1037105669.db2.gz HKHIBUQJLBJMAT-FPOVZHCZSA-N 2 1 343.559 3.750 20 0 EHADMP c1ccc2c(c1)CCC[C@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000648497915 1037133286 /nfs/dbraw/zinc/13/32/86/1037133286.db2.gz YKDNEZUQSGRDNU-NRFANRHFSA-N 2 1 342.527 3.559 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)o1 ZINC000163377710 1037228057 /nfs/dbraw/zinc/22/80/57/1037228057.db2.gz XVJKDDILIHFWLB-CALCHBBNSA-N 2 1 342.483 3.795 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092748 1037240032 /nfs/dbraw/zinc/24/00/32/1037240032.db2.gz ZDSNKEDRACATMW-TZIWHRDSSA-N 2 1 343.559 3.609 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542320039 1037273815 /nfs/dbraw/zinc/27/38/15/1037273815.db2.gz OYLDBBTVTGLIJR-SFHVURJKSA-N 2 1 340.467 3.919 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797419 1037392097 /nfs/dbraw/zinc/39/20/97/1037392097.db2.gz DDHVBJHELSLINC-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797419 1037392109 /nfs/dbraw/zinc/39/21/09/1037392109.db2.gz DDHVBJHELSLINC-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797419 1037392119 /nfs/dbraw/zinc/39/21/19/1037392119.db2.gz DDHVBJHELSLINC-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797419 1037392129 /nfs/dbraw/zinc/39/21/29/1037392129.db2.gz DDHVBJHELSLINC-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C(C)C ZINC000163965211 1037395164 /nfs/dbraw/zinc/39/51/64/1037395164.db2.gz DHIPWHUTNPJRFT-NRFANRHFSA-N 2 1 348.531 3.700 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462791561 1037401943 /nfs/dbraw/zinc/40/19/43/1037401943.db2.gz CGZPMZJLOCLRKU-UHFFFAOYSA-N 2 1 346.515 3.948 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462791561 1037401951 /nfs/dbraw/zinc/40/19/51/1037401951.db2.gz CGZPMZJLOCLRKU-UHFFFAOYSA-N 2 1 346.515 3.948 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC000491359128 1037419655 /nfs/dbraw/zinc/41/96/55/1037419655.db2.gz JJUQMGFDVCYKPN-PGRDOPGGSA-N 2 1 344.543 3.792 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCSc3ccccc3)CC2)C[C@H](C)O1 ZINC000303534211 1037527198 /nfs/dbraw/zinc/52/71/98/1037527198.db2.gz IDCIOFCASVDKFG-HDICACEKSA-N 2 1 348.556 3.600 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000377330466 1037563283 /nfs/dbraw/zinc/56/32/83/1037563283.db2.gz NLELRHCYVNGTBH-YHELAOLJSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000532538237 1037566411 /nfs/dbraw/zinc/56/64/11/1037566411.db2.gz FDNWPBFRGYTOTM-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000532538237 1037566421 /nfs/dbraw/zinc/56/64/21/1037566421.db2.gz FDNWPBFRGYTOTM-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000532538237 1037566426 /nfs/dbraw/zinc/56/64/26/1037566426.db2.gz FDNWPBFRGYTOTM-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000493892575 1037712527 /nfs/dbraw/zinc/71/25/27/1037712527.db2.gz XESSDQZWSJAPMB-WIYYLYMNSA-N 2 1 326.484 3.874 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c2C1 ZINC000573688237 1037743947 /nfs/dbraw/zinc/74/39/47/1037743947.db2.gz QZKZXZUMPVMXDX-DNVCBOLYSA-N 2 1 331.504 3.606 20 0 EHADMP C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463088830 1037750153 /nfs/dbraw/zinc/75/01/53/1037750153.db2.gz YKEDKSHRXFEFRK-UGKGYDQZSA-N 2 1 344.543 3.878 20 0 EHADMP C[NH+](C)C1(CNC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000463130227 1037781761 /nfs/dbraw/zinc/78/17/61/1037781761.db2.gz FNTZDFFNRIRZNV-UHFFFAOYSA-N 2 1 349.950 3.768 20 0 EHADMP C[C@H]1C[C@@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463143425 1037790933 /nfs/dbraw/zinc/79/09/33/1037790933.db2.gz SIGDQCHZOBRINM-FPOVZHCZSA-N 2 1 343.559 3.894 20 0 EHADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463139036 1037799592 /nfs/dbraw/zinc/79/95/92/1037799592.db2.gz BTLNKSQUDXQKEG-IRLDBZIGSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000463139294 1037802491 /nfs/dbraw/zinc/80/24/91/1037802491.db2.gz RSIHZZLZWUDOMD-IBGZPJMESA-N 2 1 349.950 3.768 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463151317 1037819719 /nfs/dbraw/zinc/81/97/19/1037819719.db2.gz ZFMQBPHJECRVLK-VXKWHMMOSA-N 2 1 344.543 3.861 20 0 EHADMP C[C@@H]1C[C@@H](NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000463151781 1037824295 /nfs/dbraw/zinc/82/42/95/1037824295.db2.gz MYGUTHAOWZSCRR-DYQZNNLLSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463151781 1037824314 /nfs/dbraw/zinc/82/43/14/1037824314.db2.gz MYGUTHAOWZSCRR-DYQZNNLLSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463151781 1037824336 /nfs/dbraw/zinc/82/43/36/1037824336.db2.gz MYGUTHAOWZSCRR-DYQZNNLLSA-N 2 1 343.559 3.892 20 0 EHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119717121 1037908738 /nfs/dbraw/zinc/90/87/38/1037908738.db2.gz YYKJWKIQNIDABX-JGUMPVPUSA-N 2 1 345.506 3.520 20 0 EHADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463252709 1037957213 /nfs/dbraw/zinc/95/72/13/1037957213.db2.gz SRFODNHKVXLAFW-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(Cl)c1 ZINC000173319492 1038028082 /nfs/dbraw/zinc/02/80/82/1038028082.db2.gz OPJCNCREDLDNDI-IBGZPJMESA-N 2 1 337.939 3.798 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000124664626 1038219076 /nfs/dbraw/zinc/21/90/76/1038219076.db2.gz NLSXHKWXTMJKSH-WOJBJXKFSA-N 2 1 328.500 3.588 20 0 EHADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1OC ZINC000125432929 1038326952 /nfs/dbraw/zinc/32/69/52/1038326952.db2.gz LRIANFHRRNJFKD-SFHVURJKSA-N 2 1 343.471 3.826 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)cc1OC ZINC000125432929 1038326964 /nfs/dbraw/zinc/32/69/64/1038326964.db2.gz LRIANFHRRNJFKD-SFHVURJKSA-N 2 1 343.471 3.826 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COCc5ccccc54)[C@H]3C2)cc1 ZINC000388726932 1038464349 /nfs/dbraw/zinc/46/43/49/1038464349.db2.gz JQOHUMLKMMXNND-QGQQZZQASA-N 2 1 348.490 3.758 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COCc5ccccc54)[C@H]3C2)cc1 ZINC000388726932 1038464355 /nfs/dbraw/zinc/46/43/55/1038464355.db2.gz JQOHUMLKMMXNND-QGQQZZQASA-N 2 1 348.490 3.758 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C ZINC000194288793 1038562492 /nfs/dbraw/zinc/56/24/92/1038562492.db2.gz SGCHDSYTPHQIPD-NRFANRHFSA-N 2 1 338.495 3.658 20 0 EHADMP C[C@H](NCC(C)(C)[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000479862795 1038837091 /nfs/dbraw/zinc/83/70/91/1038837091.db2.gz SIFKZDGGOTWSCY-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000552062255 1038929403 /nfs/dbraw/zinc/92/94/03/1038929403.db2.gz QRQKDYQJRMMZKB-CLAROIROSA-N 2 1 342.527 3.933 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477855996 1038964624 /nfs/dbraw/zinc/96/46/24/1038964624.db2.gz IKHAQTUKOMCIKC-NHYWBVRUSA-N 2 1 340.298 3.947 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000195445378 1038983728 /nfs/dbraw/zinc/98/37/28/1038983728.db2.gz FIEXWGQHJQPYBR-UHFFFAOYSA-N 2 1 344.890 3.814 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000480059993 1039107184 /nfs/dbraw/zinc/10/71/84/1039107184.db2.gz MYYMOZPJFKEWMB-AWEZNQCLSA-N 2 1 331.435 3.551 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)CCC2)cc1 ZINC000552283421 1039135422 /nfs/dbraw/zinc/13/54/22/1039135422.db2.gz CQITXBYPMQAQBT-AQNXPRMDSA-N 2 1 328.500 3.579 20 0 EHADMP COCCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000552322140 1039175820 /nfs/dbraw/zinc/17/58/20/1039175820.db2.gz DWGDZOKYFZACLM-KVSKMBFKSA-N 2 1 338.923 3.780 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C[C@@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC000898520248 1039193404 /nfs/dbraw/zinc/19/34/04/1039193404.db2.gz WQYQUKIWALWMCI-YRPNKDGESA-N 2 1 330.541 3.630 20 0 EHADMP c1csc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522516 1039197126 /nfs/dbraw/zinc/19/71/26/1039197126.db2.gz PUABYIQWWYRLNO-SQNIBIBYSA-N 2 1 327.497 3.533 20 0 EHADMP COc1cccc(SCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000660113674 1039198677 /nfs/dbraw/zinc/19/86/77/1039198677.db2.gz COCVVIASBRGNLQ-JXFKEZNVSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113674 1039198682 /nfs/dbraw/zinc/19/86/82/1039198682.db2.gz COCVVIASBRGNLQ-JXFKEZNVSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113674 1039198686 /nfs/dbraw/zinc/19/86/86/1039198686.db2.gz COCVVIASBRGNLQ-JXFKEZNVSA-N 2 1 346.540 3.736 20 0 EHADMP C[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796154 1039219881 /nfs/dbraw/zinc/21/98/81/1039219881.db2.gz FOTWTPVPVFDOQU-PBHICJAKSA-N 2 1 339.321 3.969 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796154 1039219893 /nfs/dbraw/zinc/21/98/93/1039219893.db2.gz FOTWTPVPVFDOQU-PBHICJAKSA-N 2 1 339.321 3.969 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155910658 1039358564 /nfs/dbraw/zinc/35/85/64/1039358564.db2.gz XKXYZSIZOPQVTB-KBRIMQKVSA-N 2 1 337.305 3.597 20 0 EHADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000237462327 1039369153 /nfs/dbraw/zinc/36/91/53/1039369153.db2.gz OGERHJFDQHLXLF-CRAIPNDOSA-N 2 1 328.456 3.633 20 0 EHADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000417368560 1039738795 /nfs/dbraw/zinc/73/87/95/1039738795.db2.gz OSNYECJAVMNONM-VTHDOGFWSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000480614709 1039758341 /nfs/dbraw/zinc/75/83/41/1039758341.db2.gz ODJHKBPFYAOGCG-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480614709 1039758360 /nfs/dbraw/zinc/75/83/60/1039758360.db2.gz ODJHKBPFYAOGCG-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000480614709 1039758382 /nfs/dbraw/zinc/75/83/82/1039758382.db2.gz ODJHKBPFYAOGCG-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480642195 1039798315 /nfs/dbraw/zinc/79/83/15/1039798315.db2.gz QVOLCZMHIFHCIV-BBWFWOEESA-N 2 1 332.488 3.824 20 0 EHADMP CC(C)c1c[nH]c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000893995982 1039934394 /nfs/dbraw/zinc/93/43/94/1039934394.db2.gz RETMNDAYZNYEKC-UHFFFAOYSA-N 2 1 340.515 3.877 20 0 EHADMP CC(C)c1c[nH]c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000893995982 1039934411 /nfs/dbraw/zinc/93/44/11/1039934411.db2.gz RETMNDAYZNYEKC-UHFFFAOYSA-N 2 1 340.515 3.877 20 0 EHADMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000051957303 1039969695 /nfs/dbraw/zinc/96/96/95/1039969695.db2.gz OVMPZZGQDAHLAC-UHFFFAOYSA-N 2 1 343.298 3.538 20 0 EHADMP CC(C)(C[NH2+]Cc1cc(Br)cs1)C[NH+]1CCCC1 ZINC000480910599 1040153935 /nfs/dbraw/zinc/15/39/35/1040153935.db2.gz LXNBEHHEPJXJNB-UHFFFAOYSA-N 2 1 331.323 3.722 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000481018115 1040271506 /nfs/dbraw/zinc/27/15/06/1040271506.db2.gz DQXXGGJGIQLUKB-WMLDXEAASA-N 2 1 344.421 3.714 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000481018115 1040271523 /nfs/dbraw/zinc/27/15/23/1040271523.db2.gz DQXXGGJGIQLUKB-WMLDXEAASA-N 2 1 344.421 3.714 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512614582 1040275178 /nfs/dbraw/zinc/27/51/78/1040275178.db2.gz WMQSQOATJHCDHG-IXDOHACOSA-N 2 1 326.406 3.829 20 0 EHADMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000119862770 1040277560 /nfs/dbraw/zinc/27/75/60/1040277560.db2.gz PAYHXEKSJDPPSG-OAHLLOKOSA-N 2 1 334.504 3.755 20 0 EHADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000512622320 1040288953 /nfs/dbraw/zinc/28/89/53/1040288953.db2.gz ANPNCNOKHBYWPC-PWRODBHTSA-N 2 1 342.527 3.572 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)n(C)n1 ZINC000417888131 1040289170 /nfs/dbraw/zinc/28/91/70/1040289170.db2.gz NRQBCYWQOWSPSE-UHFFFAOYSA-N 2 1 340.515 3.783 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@H](C)C1 ZINC000479469187 1040294472 /nfs/dbraw/zinc/29/44/72/1040294472.db2.gz GISDUSICZRCXAU-HBGVWJBISA-N 2 1 348.506 3.930 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000479499564 1040308004 /nfs/dbraw/zinc/30/80/04/1040308004.db2.gz OFPSPKUDSRCPKM-BVYCBKJFSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000479499564 1040308015 /nfs/dbraw/zinc/30/80/15/1040308015.db2.gz OFPSPKUDSRCPKM-BVYCBKJFSA-N 2 1 344.543 3.960 20 0 EHADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479548409 1040361266 /nfs/dbraw/zinc/36/12/66/1040361266.db2.gz ZGZANYUTGNNUBC-NQIIRXRSSA-N 2 1 328.500 3.601 20 0 EHADMP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512649930 1040395373 /nfs/dbraw/zinc/39/53/73/1040395373.db2.gz VPSYSIBHWDSMAQ-NJDAHSKKSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1cc(C[NH+]2CCC3(CC([NH3+])C3)CC2)c(F)cc1Br ZINC001222216013 1040464295 /nfs/dbraw/zinc/46/42/95/1040464295.db2.gz SPLASZXTDBCXAF-UHFFFAOYSA-N 2 1 341.268 3.600 20 0 EHADMP Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667542696 1040534564 /nfs/dbraw/zinc/53/45/64/1040534564.db2.gz AYIPVNKWHPGTCZ-IBGZPJMESA-N 2 1 336.414 3.614 20 0 EHADMP Fc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667542696 1040534582 /nfs/dbraw/zinc/53/45/82/1040534582.db2.gz AYIPVNKWHPGTCZ-IBGZPJMESA-N 2 1 336.414 3.614 20 0 EHADMP Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667542696 1040534599 /nfs/dbraw/zinc/53/45/99/1040534599.db2.gz AYIPVNKWHPGTCZ-IBGZPJMESA-N 2 1 336.414 3.614 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118212 1040552303 /nfs/dbraw/zinc/55/23/03/1040552303.db2.gz SXUJKYCBOLFNKZ-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118212 1040552324 /nfs/dbraw/zinc/55/23/24/1040552324.db2.gz SXUJKYCBOLFNKZ-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118212 1040552339 /nfs/dbraw/zinc/55/23/39/1040552339.db2.gz SXUJKYCBOLFNKZ-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118212 1040552357 /nfs/dbraw/zinc/55/23/57/1040552357.db2.gz SXUJKYCBOLFNKZ-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000894113392 1040669971 /nfs/dbraw/zinc/66/99/71/1040669971.db2.gz NNQUNJSDZDTQTC-UHFFFAOYSA-N 2 1 329.444 3.591 20 0 EHADMP CSC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000433098600 1040738383 /nfs/dbraw/zinc/73/83/83/1040738383.db2.gz WCINQQXKBYKLQE-GBESFXJTSA-N 2 1 330.541 3.772 20 0 EHADMP C[C@H]([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282907711 1040785547 /nfs/dbraw/zinc/78/55/47/1040785547.db2.gz XDNGHIMVBVGATM-TYPHKJRUSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001167750707 1040801449 /nfs/dbraw/zinc/80/14/49/1040801449.db2.gz AAFZSFJCDFNIIM-GOSISDBHSA-N 2 1 341.543 3.930 20 0 EHADMP [NH3+][C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000390535752 1040904983 /nfs/dbraw/zinc/90/49/83/1040904983.db2.gz GCXKBYDDQKWJIY-LIJLLWPMSA-N 2 1 347.506 3.916 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000555619507 1040926368 /nfs/dbraw/zinc/92/63/68/1040926368.db2.gz SZYOUYQSDZNWEF-BVYCBKJFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000555619507 1040926385 /nfs/dbraw/zinc/92/63/85/1040926385.db2.gz SZYOUYQSDZNWEF-BVYCBKJFSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cccc(C)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390565096 1041015535 /nfs/dbraw/zinc/01/55/35/1041015535.db2.gz NLBGOVPWIYVEOQ-OAQYLSRUSA-N 2 1 338.495 3.684 20 0 EHADMP Cc1cccc(C)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390565096 1041015547 /nfs/dbraw/zinc/01/55/47/1041015547.db2.gz NLBGOVPWIYVEOQ-OAQYLSRUSA-N 2 1 338.495 3.684 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000481570152 1041091440 /nfs/dbraw/zinc/09/14/40/1041091440.db2.gz DRIJAFWTNKTTFB-SJLPKXTDSA-N 2 1 344.499 3.547 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433301249 1041242831 /nfs/dbraw/zinc/24/28/31/1041242831.db2.gz GEBLCTRPZWLASF-UHFFFAOYSA-N 2 1 338.455 3.800 20 0 EHADMP C[C@@H]1[C@@H](Nc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC[N@H+]1C ZINC000899874391 1041257527 /nfs/dbraw/zinc/25/75/27/1041257527.db2.gz BAUVDGQSVAFYBU-MFKMUULPSA-N 2 1 325.334 3.638 20 0 EHADMP Brc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157586732 1041277868 /nfs/dbraw/zinc/27/78/68/1041277868.db2.gz RVKOFRREORUIMA-XYQBIQKZSA-N 2 1 349.316 3.912 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccc2OCC)[C@H](C)C1 ZINC000481717292 1041282087 /nfs/dbraw/zinc/28/20/87/1041282087.db2.gz MQOPWNLQTGTSCD-GGPKGHCWSA-N 2 1 348.531 3.873 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OCC)[C@H](C)C1 ZINC000481717292 1041282122 /nfs/dbraw/zinc/28/21/22/1041282122.db2.gz MQOPWNLQTGTSCD-GGPKGHCWSA-N 2 1 348.531 3.873 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CO1 ZINC000660622962 1041728315 /nfs/dbraw/zinc/72/83/15/1041728315.db2.gz JUPKDFCDHAQMOI-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000660694155 1041774922 /nfs/dbraw/zinc/77/49/22/1041774922.db2.gz VDSJVLQIOIKQDS-GOSISDBHSA-N 2 1 340.511 3.973 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660853833 1041845748 /nfs/dbraw/zinc/84/57/48/1041845748.db2.gz ISSVYKDTSMWPLS-SFHVURJKSA-N 2 1 340.515 3.692 20 0 EHADMP CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000278841724 1041907620 /nfs/dbraw/zinc/90/76/20/1041907620.db2.gz UVZUCNCRGYTQDS-MZADTFQBSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540783 1042176096 /nfs/dbraw/zinc/17/60/96/1042176096.db2.gz OUZRHVRYCLIYSL-UHFFFAOYSA-N 2 1 338.480 3.763 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540783 1042176100 /nfs/dbraw/zinc/17/61/00/1042176100.db2.gz OUZRHVRYCLIYSL-UHFFFAOYSA-N 2 1 338.480 3.763 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000652222857 1042279691 /nfs/dbraw/zinc/27/96/91/1042279691.db2.gz ZINPRWSNDOSMQK-OAHLLOKOSA-N 2 1 331.504 3.545 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000652222857 1042279695 /nfs/dbraw/zinc/27/96/95/1042279695.db2.gz ZINPRWSNDOSMQK-OAHLLOKOSA-N 2 1 331.504 3.545 20 0 EHADMP CCN(Cc1cc(O)cc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473141075 1042290025 /nfs/dbraw/zinc/29/00/25/1042290025.db2.gz NZJSJYRELLWGQJ-GOSISDBHSA-N 2 1 342.458 3.875 20 0 EHADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000652313474 1042349584 /nfs/dbraw/zinc/34/95/84/1042349584.db2.gz WZYLDRVVHFOAHL-NJYVYQBISA-N 2 1 342.527 3.572 20 0 EHADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000249038747 1042532511 /nfs/dbraw/zinc/53/25/11/1042532511.db2.gz UBWYLSUCOSOPPM-KJJMTIBFSA-N 2 1 342.527 3.713 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245585 1042629318 /nfs/dbraw/zinc/62/93/18/1042629318.db2.gz NPOWVJXLYHSLHJ-NEPJUHHUSA-N 2 1 337.261 3.755 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245585 1042629321 /nfs/dbraw/zinc/62/93/21/1042629321.db2.gz NPOWVJXLYHSLHJ-NEPJUHHUSA-N 2 1 337.261 3.755 20 0 EHADMP c1ccc(-c2nc3c(s2)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000662305759 1042670504 /nfs/dbraw/zinc/67/05/04/1042670504.db2.gz UVVKDNLBCZIFFP-HNNXBMFYSA-N 2 1 327.497 3.558 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1CCC[NH3+] ZINC000662315521 1042681091 /nfs/dbraw/zinc/68/10/91/1042681091.db2.gz SCBGXAIGKJPPFV-RDTXWAMCSA-N 2 1 331.435 3.820 20 0 EHADMP COc1cc2cc[nH+]c(NC[C@H](c3ccco3)[NH+](C)C)c2cc1OC ZINC000663324842 1042685098 /nfs/dbraw/zinc/68/50/98/1042685098.db2.gz AQURNYWCZRHPBC-OAHLLOKOSA-N 2 1 341.411 3.560 20 0 EHADMP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327510 1042690314 /nfs/dbraw/zinc/69/03/14/1042690314.db2.gz PYARDRKOODLFKU-QFBILLFUSA-N 2 1 344.547 3.882 20 0 EHADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327508 1042690346 /nfs/dbraw/zinc/69/03/46/1042690346.db2.gz PYARDRKOODLFKU-APWZRJJASA-N 2 1 344.547 3.882 20 0 EHADMP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467263 1042888617 /nfs/dbraw/zinc/88/86/17/1042888617.db2.gz ZTBZAZDSPUEIMI-LWEYNCJUSA-N 2 1 334.548 3.968 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000663467539 1042895019 /nfs/dbraw/zinc/89/50/19/1042895019.db2.gz GNOCBVZCKBJLMM-PKOBYXMFSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470285 1042898723 /nfs/dbraw/zinc/89/87/23/1042898723.db2.gz UJUISZCVBDRENG-TZMCWYRMSA-N 2 1 326.406 3.877 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470285 1042898725 /nfs/dbraw/zinc/89/87/25/1042898725.db2.gz UJUISZCVBDRENG-TZMCWYRMSA-N 2 1 326.406 3.877 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](CNc3[nH+]ccc4[nH]ccc43)C2)c1 ZINC000663483718 1042927502 /nfs/dbraw/zinc/92/75/02/1042927502.db2.gz RRAKXKPNLWBNSF-CQSZACIVSA-N 2 1 326.469 3.949 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001167823979 1042938347 /nfs/dbraw/zinc/93/83/47/1042938347.db2.gz ANVZKJCTFNQQAJ-MRXNPFEDSA-N 2 1 334.504 3.572 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000643527277 1042977871 /nfs/dbraw/zinc/97/78/71/1042977871.db2.gz KVAYXMXMXBHBOZ-PRHODGIISA-N 2 1 339.199 3.856 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432368277 1043010512 /nfs/dbraw/zinc/01/05/12/1043010512.db2.gz PHPGGPSAKCNPAW-NOCRFKNCSA-N 2 1 336.907 3.834 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1OC(F)F ZINC000278937791 1043022482 /nfs/dbraw/zinc/02/24/82/1043022482.db2.gz JUOUUWFIFOWVPE-NEPJUHHUSA-N 2 1 339.361 3.537 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1OC(F)F ZINC000278937803 1043025970 /nfs/dbraw/zinc/02/59/70/1043025970.db2.gz JUOUUWFIFOWVPE-VXGBXAGGSA-N 2 1 339.361 3.537 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001167839762 1043060899 /nfs/dbraw/zinc/06/08/99/1043060899.db2.gz BQZMCZSSPVHOCV-UXHICEINSA-N 2 1 331.548 3.703 20 0 EHADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414611 1043128279 /nfs/dbraw/zinc/12/82/79/1043128279.db2.gz AACMPBDQKICNLW-FPOVZHCZSA-N 2 1 332.532 3.878 20 0 EHADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414611 1043128280 /nfs/dbraw/zinc/12/82/80/1043128280.db2.gz AACMPBDQKICNLW-FPOVZHCZSA-N 2 1 332.532 3.878 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccsc2S1 ZINC000432414497 1043129999 /nfs/dbraw/zinc/12/99/99/1043129999.db2.gz LFYXMBZCSXRCRE-OFQRWUPVSA-N 2 1 340.558 3.764 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccsc2S1 ZINC000432414497 1043130007 /nfs/dbraw/zinc/13/00/07/1043130007.db2.gz LFYXMBZCSXRCRE-OFQRWUPVSA-N 2 1 340.558 3.764 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCCO1 ZINC000432418656 1043143228 /nfs/dbraw/zinc/14/32/28/1043143228.db2.gz UGPLFOPMXOKCQA-NRSPTQNISA-N 2 1 330.516 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCCO1 ZINC000432418656 1043143235 /nfs/dbraw/zinc/14/32/35/1043143235.db2.gz UGPLFOPMXOKCQA-NRSPTQNISA-N 2 1 330.516 3.587 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000279014186 1043201389 /nfs/dbraw/zinc/20/13/89/1043201389.db2.gz UBBOUFKIJWPPRW-XJKSGUPXSA-N 2 1 335.398 3.788 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279024652 1043214433 /nfs/dbraw/zinc/21/44/33/1043214433.db2.gz VGBZVEYDNNACFN-DOTOQJQBSA-N 2 1 327.497 3.889 20 0 EHADMP COc1ccccc1[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000279047334 1043254904 /nfs/dbraw/zinc/25/49/04/1043254904.db2.gz XSDGPOJRRRKANV-IIBYNOLFSA-N 2 1 339.483 3.975 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344178173 1043373896 /nfs/dbraw/zinc/37/38/96/1043373896.db2.gz VDSDTTPTUVIQFW-QFIPXVFZSA-N 2 1 343.559 3.781 20 0 EHADMP C/C(=C\c1ccccc1)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512183669 1043737276 /nfs/dbraw/zinc/73/72/76/1043737276.db2.gz VXMLSONRJKELLH-QGYAIQDDSA-N 2 1 342.527 3.911 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203868 1044144655 /nfs/dbraw/zinc/14/46/55/1044144655.db2.gz RDJXNLCGDRPRBN-PKOBYXMFSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203868 1044144664 /nfs/dbraw/zinc/14/46/64/1044144664.db2.gz RDJXNLCGDRPRBN-PKOBYXMFSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203868 1044144673 /nfs/dbraw/zinc/14/46/73/1044144673.db2.gz RDJXNLCGDRPRBN-PKOBYXMFSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203868 1044144684 /nfs/dbraw/zinc/14/46/84/1044144684.db2.gz RDJXNLCGDRPRBN-PKOBYXMFSA-N 2 1 328.500 3.708 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000414228976 1125621877 /nfs/dbraw/zinc/62/18/77/1125621877.db2.gz YWVWHMOWPCPGEB-YJMBLLCNSA-N 2 1 336.479 3.724 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000414228976 1125621882 /nfs/dbraw/zinc/62/18/82/1125621882.db2.gz YWVWHMOWPCPGEB-YJMBLLCNSA-N 2 1 336.479 3.724 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCCC(C)C ZINC000174516171 1126854732 /nfs/dbraw/zinc/85/47/32/1126854732.db2.gz JLFKROXJQUJMBN-WMZOPIPTSA-N 2 1 334.504 3.692 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCCC(C)C ZINC000174516171 1126854735 /nfs/dbraw/zinc/85/47/35/1126854735.db2.gz JLFKROXJQUJMBN-WMZOPIPTSA-N 2 1 334.504 3.692 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccnc(OC3CCCCC3)c2)CC1(C)C ZINC000623387881 1126941680 /nfs/dbraw/zinc/94/16/80/1126941680.db2.gz ZURSGAPDKJNHMN-QGZVFWFLSA-N 2 1 331.504 3.756 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC1(C)C ZINC000623387881 1126941684 /nfs/dbraw/zinc/94/16/84/1126941684.db2.gz ZURSGAPDKJNHMN-QGZVFWFLSA-N 2 1 331.504 3.756 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000623510731 1126969806 /nfs/dbraw/zinc/96/98/06/1126969806.db2.gz JGNXSPHBWVGANG-GOSISDBHSA-N 2 1 344.886 3.960 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(C(F)(F)F)c1 ZINC000623657583 1127006906 /nfs/dbraw/zinc/00/69/06/1127006906.db2.gz VAQXBWKARXYNPJ-CYBMUJFWSA-N 2 1 330.394 3.536 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000623657583 1127006908 /nfs/dbraw/zinc/00/69/08/1127006908.db2.gz VAQXBWKARXYNPJ-CYBMUJFWSA-N 2 1 330.394 3.536 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000180026338 1127111434 /nfs/dbraw/zinc/11/14/34/1127111434.db2.gz HGOXGXRPOBSGPY-UHFFFAOYSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623853395 1127202367 /nfs/dbraw/zinc/20/23/67/1127202367.db2.gz XGAOQWXMPKSHGX-ZDUSSCGKSA-N 2 1 325.294 3.892 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C)ccc1C ZINC000623893480 1127207579 /nfs/dbraw/zinc/20/75/79/1127207579.db2.gz RTFGMUVKOGIDBX-TZIWHRDSSA-N 2 1 330.516 3.988 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000624122995 1127256439 /nfs/dbraw/zinc/25/64/39/1127256439.db2.gz COYNCDYUASWMSG-DGCLKSJQSA-N 2 1 343.334 3.819 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000624122995 1127256441 /nfs/dbraw/zinc/25/64/41/1127256441.db2.gz COYNCDYUASWMSG-DGCLKSJQSA-N 2 1 343.334 3.819 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCCS2 ZINC000624123640 1127257046 /nfs/dbraw/zinc/25/70/46/1127257046.db2.gz PRMHGPZOBGYMBR-YJBOKZPZSA-N 2 1 334.529 3.944 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121246 1127255616 /nfs/dbraw/zinc/25/56/16/1127255616.db2.gz RFMQMOUFTQTEHI-AEFFLSMTSA-N 3 1 326.488 3.563 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000181631986 1127286207 /nfs/dbraw/zinc/28/62/07/1127286207.db2.gz SWNJQTPRWPURCF-YTQUADARSA-N 2 1 348.556 3.897 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000181631986 1127286210 /nfs/dbraw/zinc/28/62/10/1127286210.db2.gz SWNJQTPRWPURCF-YTQUADARSA-N 2 1 348.556 3.897 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181975285 1127305621 /nfs/dbraw/zinc/30/56/21/1127305621.db2.gz JQTADRFMDPXFNP-FQEVSTJZSA-N 2 1 343.471 3.730 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566024 1127416903 /nfs/dbraw/zinc/41/69/03/1127416903.db2.gz GPQNYCMGGOVJAU-DFQSSKMNSA-N 2 1 336.479 3.663 20 0 EHADMP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000370305405 1127426994 /nfs/dbraw/zinc/42/69/94/1127426994.db2.gz KCYWJBXZFWIWLA-IHWFROFDSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663807 1127429409 /nfs/dbraw/zinc/42/94/09/1127429409.db2.gz ISHAPCCFRARFIS-IAGOWNOFSA-N 2 1 334.479 3.837 20 0 EHADMP COc1cccc(CCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185682169 1127430315 /nfs/dbraw/zinc/43/03/15/1127430315.db2.gz FZWDFMYLLVBDRL-MJGOQNOKSA-N 2 1 330.516 3.870 20 0 EHADMP COc1ccccc1CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687884 1127430402 /nfs/dbraw/zinc/43/04/02/1127430402.db2.gz WNHJMGDCJSQNJP-PKOBYXMFSA-N 2 1 330.516 3.870 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000083474030 1127439757 /nfs/dbraw/zinc/43/97/57/1127439757.db2.gz JNTJANLQWAGCKF-YJBOKZPZSA-N 2 1 329.875 3.735 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000083474030 1127439760 /nfs/dbraw/zinc/43/97/60/1127439760.db2.gz JNTJANLQWAGCKF-YJBOKZPZSA-N 2 1 329.875 3.735 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000417354895 1127447543 /nfs/dbraw/zinc/44/75/43/1127447543.db2.gz ABVSVLLFGAMHBV-PWRODBHTSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000417354895 1127447546 /nfs/dbraw/zinc/44/75/46/1127447546.db2.gz ABVSVLLFGAMHBV-PWRODBHTSA-N 2 1 330.516 3.743 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000382824280 1127522645 /nfs/dbraw/zinc/52/26/45/1127522645.db2.gz BCPQLICSNOZMHK-MAUKXSAKSA-N 2 1 347.503 3.506 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000765246031 1127587584 /nfs/dbraw/zinc/58/75/84/1127587584.db2.gz RIDQYKCCQCXFSS-GHTZIAJQSA-N 2 1 329.532 3.539 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000765239717 1127587671 /nfs/dbraw/zinc/58/76/71/1127587671.db2.gz SIWZEOFVEGCBSL-MSOLQXFVSA-N 2 1 340.515 3.953 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292545 1127595435 /nfs/dbraw/zinc/59/54/35/1127595435.db2.gz WAMGDFWLHIMGCH-WMZOPIPTSA-N 2 1 326.488 3.563 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292545 1127595437 /nfs/dbraw/zinc/59/54/37/1127595437.db2.gz WAMGDFWLHIMGCH-WMZOPIPTSA-N 2 1 326.488 3.563 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414954 1127608920 /nfs/dbraw/zinc/60/89/20/1127608920.db2.gz DLSBQMXLLGUJGR-KNQAVFIVSA-N 2 1 349.522 3.549 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414954 1127608921 /nfs/dbraw/zinc/60/89/21/1127608921.db2.gz DLSBQMXLLGUJGR-KNQAVFIVSA-N 2 1 349.522 3.549 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)C1CCCC1 ZINC000166238660 1127671071 /nfs/dbraw/zinc/67/10/71/1127671071.db2.gz RWGCXLQYVLKIHJ-UYAOXDASSA-N 2 1 341.499 3.532 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)C1CCCC1 ZINC000166238660 1127671072 /nfs/dbraw/zinc/67/10/72/1127671072.db2.gz RWGCXLQYVLKIHJ-UYAOXDASSA-N 2 1 341.499 3.532 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921547355 1127724886 /nfs/dbraw/zinc/72/48/86/1127724886.db2.gz PGWITKCTACAAQZ-KAGYGMCKSA-N 2 1 342.527 3.754 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000624308815 1127891371 /nfs/dbraw/zinc/89/13/71/1127891371.db2.gz YGPJOCIQXWYFBU-YESZJQIVSA-N 2 1 326.406 3.754 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000347543751 1128065943 /nfs/dbraw/zinc/06/59/43/1128065943.db2.gz YWANSOPNWUMSQD-INIZCTEOSA-N 2 1 349.478 3.774 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000671752636 1128210394 /nfs/dbraw/zinc/21/03/94/1128210394.db2.gz WLVRYTJYFSJSKA-MYGLTJDJSA-N 2 1 344.543 3.818 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168602834 1128283572 /nfs/dbraw/zinc/28/35/72/1128283572.db2.gz VMTQAGKEZFWDSE-GQUPQBGVSA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168602834 1128283576 /nfs/dbraw/zinc/28/35/76/1128283576.db2.gz VMTQAGKEZFWDSE-GQUPQBGVSA-N 2 1 344.499 3.520 20 0 EHADMP CCCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754092 1128291456 /nfs/dbraw/zinc/29/14/56/1128291456.db2.gz OYKKUJVTLWLHQX-UHFFFAOYSA-N 2 1 331.460 3.559 20 0 EHADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-c2ccccc2)c1 ZINC000765793221 1128370448 /nfs/dbraw/zinc/37/04/48/1128370448.db2.gz WMSCBPWMSGZTAI-HSQYWUDLSA-N 2 1 336.479 3.867 20 0 EHADMP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2s1 ZINC000655791171 1128371013 /nfs/dbraw/zinc/37/10/13/1128371013.db2.gz GTBAQAYEMHIRDZ-GOSISDBHSA-N 2 1 330.497 3.634 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000542671973 1128463475 /nfs/dbraw/zinc/46/34/75/1128463475.db2.gz ZEMSHRGNQAGUKF-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000542671973 1128463477 /nfs/dbraw/zinc/46/34/77/1128463477.db2.gz ZEMSHRGNQAGUKF-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655834941 1128492142 /nfs/dbraw/zinc/49/21/42/1128492142.db2.gz HSQFJGMLJMTLMO-HLRQEUIKSA-N 2 1 335.495 3.798 20 0 EHADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655848999 1128500935 /nfs/dbraw/zinc/50/09/35/1128500935.db2.gz NSNDLSFRQPKYKA-VXSCBNMQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848999 1128500937 /nfs/dbraw/zinc/50/09/37/1128500937.db2.gz NSNDLSFRQPKYKA-VXSCBNMQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848999 1128500942 /nfs/dbraw/zinc/50/09/42/1128500942.db2.gz NSNDLSFRQPKYKA-VXSCBNMQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848999 1128500944 /nfs/dbraw/zinc/50/09/44/1128500944.db2.gz NSNDLSFRQPKYKA-VXSCBNMQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848999 1128500947 /nfs/dbraw/zinc/50/09/47/1128500947.db2.gz NSNDLSFRQPKYKA-VXSCBNMQSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)cc(C)c3)CC2)oc1C ZINC000111412406 1120019733 /nfs/dbraw/zinc/01/97/33/1120019733.db2.gz NTGITSNQAJMCMJ-UHFFFAOYSA-N 2 1 341.499 3.910 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC001648813836 1120047022 /nfs/dbraw/zinc/04/70/22/1120047022.db2.gz BJISJSCEKCZTQD-QZTJIDSGSA-N 2 1 346.515 3.696 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cs1 ZINC000226393033 1120092903 /nfs/dbraw/zinc/09/29/03/1120092903.db2.gz XMRUEEDZPYQLKG-CYZMBNFOSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cs1 ZINC000226393033 1120092909 /nfs/dbraw/zinc/09/29/09/1120092909.db2.gz XMRUEEDZPYQLKG-CYZMBNFOSA-N 2 1 329.307 3.788 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000190843896 1120651510 /nfs/dbraw/zinc/65/15/10/1120651510.db2.gz XVHOXJJOQCATPW-UHFFFAOYSA-N 2 1 326.406 3.978 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000191455201 1120674591 /nfs/dbraw/zinc/67/45/91/1120674591.db2.gz KJRBVCXJMDGRJJ-KRWDZBQOSA-N 2 1 337.939 3.749 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)ccc2n1C1CC1 ZINC000338777903 1128959034 /nfs/dbraw/zinc/95/90/34/1128959034.db2.gz IJMDUFXREWRTNG-MAUKXSAKSA-N 2 1 340.515 3.754 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)ccc2n1C1CC1 ZINC000338777904 1128958878 /nfs/dbraw/zinc/95/88/78/1128958878.db2.gz IJMDUFXREWRTNG-QAPCUYQASA-N 2 1 340.515 3.754 20 0 EHADMP Cc1cc(C)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC000303013326 1121115243 /nfs/dbraw/zinc/11/52/43/1121115243.db2.gz KSMFCDXBEWIYRV-OYRHEFFESA-N 2 1 343.559 3.602 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168487168 1121144154 /nfs/dbraw/zinc/14/41/54/1121144154.db2.gz OBNBPNMRKOZTCM-VQIMIIECSA-N 2 1 348.506 3.768 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000236858961 1121465819 /nfs/dbraw/zinc/46/58/19/1121465819.db2.gz SOKPQJGBWKKITB-AWEZNQCLSA-N 2 1 326.431 3.683 20 0 EHADMP Cc1ccc[nH+]c1N([C@@H](C)Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001168501015 1121663398 /nfs/dbraw/zinc/66/33/98/1121663398.db2.gz OHQFQAQFDYVIJE-INIZCTEOSA-N 2 1 327.447 3.719 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOC3CCCC3)CC2)cc1 ZINC000125267370 1122311015 /nfs/dbraw/zinc/31/10/15/1122311015.db2.gz JRIJAELRJNNNGJ-UHFFFAOYSA-N 2 1 348.506 3.772 20 0 EHADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125944917 1122363782 /nfs/dbraw/zinc/36/37/82/1122363782.db2.gz QQRJRBSOBHAXSB-HKUYNNGSSA-N 2 1 326.488 3.601 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125944917 1122363785 /nfs/dbraw/zinc/36/37/85/1122363785.db2.gz QQRJRBSOBHAXSB-HKUYNNGSSA-N 2 1 326.488 3.601 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000556241580 1122900242 /nfs/dbraw/zinc/90/02/42/1122900242.db2.gz NVISLCXTHAWMLT-PCCBWWKXSA-N 2 1 330.516 3.600 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000556241580 1122900245 /nfs/dbraw/zinc/90/02/45/1122900245.db2.gz NVISLCXTHAWMLT-PCCBWWKXSA-N 2 1 330.516 3.600 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000556585414 1123048553 /nfs/dbraw/zinc/04/85/53/1123048553.db2.gz DXZOMYSPENNKDD-RLLQIKCJSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000556585414 1123048558 /nfs/dbraw/zinc/04/85/58/1123048558.db2.gz DXZOMYSPENNKDD-RLLQIKCJSA-N 2 1 332.532 3.674 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556608871 1123060076 /nfs/dbraw/zinc/06/00/76/1123060076.db2.gz OYSGSRLERVBZNT-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556608871 1123060079 /nfs/dbraw/zinc/06/00/79/1123060079.db2.gz OYSGSRLERVBZNT-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556608871 1123060083 /nfs/dbraw/zinc/06/00/83/1123060083.db2.gz OYSGSRLERVBZNT-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556872536 1123161994 /nfs/dbraw/zinc/16/19/94/1123161994.db2.gz PHSRGXJKVFUJTN-FDFHNCONSA-N 3 1 343.559 3.609 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000132922404 1123318267 /nfs/dbraw/zinc/31/82/67/1123318267.db2.gz MMVKEKZEJPZPAQ-ZIFCJYIRSA-N 2 1 330.516 3.825 20 0 EHADMP C[C@H]1CCc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)sc2C1 ZINC000134213236 1123502144 /nfs/dbraw/zinc/50/21/44/1123502144.db2.gz BFFJOIIHJHCEFL-HNNXBMFYSA-N 2 1 333.545 3.576 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096177 1123774854 /nfs/dbraw/zinc/77/48/54/1123774854.db2.gz ZRZMULRGKZYDFX-IERDGZPVSA-N 2 1 340.515 3.651 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096177 1123774859 /nfs/dbraw/zinc/77/48/59/1123774859.db2.gz ZRZMULRGKZYDFX-IERDGZPVSA-N 2 1 340.515 3.651 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096177 1123774862 /nfs/dbraw/zinc/77/48/62/1123774862.db2.gz ZRZMULRGKZYDFX-IERDGZPVSA-N 2 1 340.515 3.651 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000245510548 1123856737 /nfs/dbraw/zinc/85/67/37/1123856737.db2.gz WOAVXZKBOIBETD-LJQANCHMSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000245510548 1123856743 /nfs/dbraw/zinc/85/67/43/1123856743.db2.gz WOAVXZKBOIBETD-LJQANCHMSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000245510548 1123856746 /nfs/dbraw/zinc/85/67/46/1123856746.db2.gz WOAVXZKBOIBETD-LJQANCHMSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000245510548 1123856752 /nfs/dbraw/zinc/85/67/52/1123856752.db2.gz WOAVXZKBOIBETD-LJQANCHMSA-N 2 1 330.516 3.646 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)cc1)C(C)C ZINC000617014830 1124077966 /nfs/dbraw/zinc/07/79/66/1124077966.db2.gz QJGQEFRLBXNQAP-LJQANCHMSA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1)C(C)C ZINC000617014830 1124077969 /nfs/dbraw/zinc/07/79/69/1124077969.db2.gz QJGQEFRLBXNQAP-LJQANCHMSA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1)C(C)C ZINC000617014830 1124077974 /nfs/dbraw/zinc/07/79/74/1124077974.db2.gz QJGQEFRLBXNQAP-LJQANCHMSA-N 2 1 345.531 3.520 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000246491449 1124484370 /nfs/dbraw/zinc/48/43/70/1124484370.db2.gz RZDDXSPGFHGXDP-IBGZPJMESA-N 2 1 335.561 3.597 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1 ZINC000246805570 1124551133 /nfs/dbraw/zinc/55/11/33/1124551133.db2.gz AHVVNCPEBIWSPS-IAGOWNOFSA-N 2 1 326.488 3.706 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247893160 1124629428 /nfs/dbraw/zinc/62/94/28/1124629428.db2.gz GAGDKZTXJUSFCO-CLCXKQKWSA-N 2 1 340.458 3.752 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3ncc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000248073949 1124638315 /nfs/dbraw/zinc/63/83/15/1124638315.db2.gz MTALRDHNOGNXTQ-DOTOQJQBSA-N 2 1 345.874 3.911 20 0 EHADMP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)on2)cc1 ZINC000248173760 1124643926 /nfs/dbraw/zinc/64/39/26/1124643926.db2.gz VGBVHOASJRVUSI-FXAWDEMLSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)on2)cc1 ZINC000248173760 1124643927 /nfs/dbraw/zinc/64/39/27/1124643927.db2.gz VGBVHOASJRVUSI-FXAWDEMLSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000248173760 1124643930 /nfs/dbraw/zinc/64/39/30/1124643930.db2.gz VGBVHOASJRVUSI-FXAWDEMLSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000248173760 1124643936 /nfs/dbraw/zinc/64/39/36/1124643936.db2.gz VGBVHOASJRVUSI-FXAWDEMLSA-N 2 1 325.456 3.566 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000248399124 1124657039 /nfs/dbraw/zinc/65/70/39/1124657039.db2.gz JRFRNPMXERBVDI-MDNUFGMLSA-N 2 1 349.522 3.905 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082768 1124943154 /nfs/dbraw/zinc/94/31/54/1124943154.db2.gz PUHFKXVKWVSHDI-IRXDYDNUSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082950 1124943468 /nfs/dbraw/zinc/94/34/68/1124943468.db2.gz RCBBBVKXKXXLOM-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082950 1124943474 /nfs/dbraw/zinc/94/34/74/1124943474.db2.gz RCBBBVKXKXXLOM-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206157 1124969643 /nfs/dbraw/zinc/96/96/43/1124969643.db2.gz AALOTFOWRRRFST-SJLPKXTDSA-N 2 1 327.447 3.611 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2occc2Br)C1 ZINC000735320841 1131331704 /nfs/dbraw/zinc/33/17/04/1131331704.db2.gz PGXGKVPXRDNEEH-OKILXGFUSA-N 2 1 343.309 3.890 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000093405510 1125242695 /nfs/dbraw/zinc/24/26/95/1125242695.db2.gz RZDDXSPGFHGXDP-LJQANCHMSA-N 2 1 335.561 3.597 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093693477 1125290322 /nfs/dbraw/zinc/29/03/22/1125290322.db2.gz PFQXPXGOUMJXJR-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093693477 1125290325 /nfs/dbraw/zinc/29/03/25/1125290325.db2.gz PFQXPXGOUMJXJR-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000163132200 1125443060 /nfs/dbraw/zinc/44/30/60/1125443060.db2.gz XRKZMLFDBZAHHE-QRWLVFNGSA-N 2 1 327.472 3.773 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000543089718 1129207081 /nfs/dbraw/zinc/20/70/81/1129207081.db2.gz GTDPNCQKNWYZPB-NRFANRHFSA-N 2 1 348.506 3.627 20 0 EHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168706713 1129254125 /nfs/dbraw/zinc/25/41/25/1129254125.db2.gz JRZMUHOOZNECJL-OAHLLOKOSA-N 2 1 344.861 3.896 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C)c1F ZINC000765974975 1129346295 /nfs/dbraw/zinc/34/62/95/1129346295.db2.gz JUPMKEDVRRKBRF-LPHOPBHVSA-N 2 1 334.479 3.737 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000922231954 1129383145 /nfs/dbraw/zinc/38/31/45/1129383145.db2.gz RBCLKWCGUFAJIO-HLAWJBBLSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000922231954 1129383150 /nfs/dbraw/zinc/38/31/50/1129383150.db2.gz RBCLKWCGUFAJIO-HLAWJBBLSA-N 2 1 346.515 3.562 20 0 EHADMP C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000466361784 1129403248 /nfs/dbraw/zinc/40/32/48/1129403248.db2.gz YDBZFRJDGKABSA-ANTGDGSKSA-N 2 1 334.548 3.968 20 0 EHADMP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765980298 1129423876 /nfs/dbraw/zinc/42/38/76/1129423876.db2.gz ZHRGRGDRAJXRSW-SFTDATJTSA-N 2 1 330.516 3.933 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000358918540 1129427720 /nfs/dbraw/zinc/42/77/20/1129427720.db2.gz WNWVSFZDGSJMDB-QFBILLFUSA-N 2 1 346.515 3.935 20 0 EHADMP C[NH+]1CCC(C[NH2+]Cc2nc(C(C)(C)C)co2)(c2ccccc2)CC1 ZINC000922315627 1129459588 /nfs/dbraw/zinc/45/95/88/1129459588.db2.gz DMPXHUOTUCYOQB-UHFFFAOYSA-N 2 1 341.499 3.725 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC[N@@H+]1Cc1ccccc1 ZINC000922692849 1129628610 /nfs/dbraw/zinc/62/86/10/1129628610.db2.gz SIIRPDRILFWEHU-OYNPSCLESA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC[N@H+]1Cc1ccccc1 ZINC000922692849 1129628613 /nfs/dbraw/zinc/62/86/13/1129628613.db2.gz SIIRPDRILFWEHU-OYNPSCLESA-N 2 1 328.500 3.588 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999194 1129683531 /nfs/dbraw/zinc/68/35/31/1129683531.db2.gz DZDULGMITXKUMM-QFIPXVFZSA-N 2 1 346.478 3.529 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999194 1129683533 /nfs/dbraw/zinc/68/35/33/1129683533.db2.gz DZDULGMITXKUMM-QFIPXVFZSA-N 2 1 346.478 3.529 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999194 1129683535 /nfs/dbraw/zinc/68/35/35/1129683535.db2.gz DZDULGMITXKUMM-QFIPXVFZSA-N 2 1 346.478 3.529 20 0 EHADMP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625652159 1129968929 /nfs/dbraw/zinc/96/89/29/1129968929.db2.gz BSNLJOFEKVBOJR-TUVASFSCSA-N 2 1 338.433 3.823 20 0 EHADMP C[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625652159 1129968932 /nfs/dbraw/zinc/96/89/32/1129968932.db2.gz BSNLJOFEKVBOJR-TUVASFSCSA-N 2 1 338.433 3.823 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@@H]2CCC[C@@H]21 ZINC000658070241 1130118781 /nfs/dbraw/zinc/11/87/81/1130118781.db2.gz WJBLPDZZDWZQBB-CAMMJAKZSA-N 2 1 347.934 3.629 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168754727 1130255064 /nfs/dbraw/zinc/25/50/64/1130255064.db2.gz KFGUHEBTBJJVQU-UHFFFAOYSA-N 2 1 326.525 3.600 20 0 EHADMP Clc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000703878848 1130411184 /nfs/dbraw/zinc/41/11/84/1130411184.db2.gz MVBYTSCKCJFUQD-LSTHTHJFSA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000703878848 1130411188 /nfs/dbraw/zinc/41/11/88/1130411188.db2.gz MVBYTSCKCJFUQD-LSTHTHJFSA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000703878848 1130411192 /nfs/dbraw/zinc/41/11/92/1130411192.db2.gz MVBYTSCKCJFUQD-LSTHTHJFSA-N 2 1 341.886 3.735 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000675787078 1130478846 /nfs/dbraw/zinc/47/88/46/1130478846.db2.gz UPXYPZUIIIPMDQ-FPOVZHCZSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000675882011 1130500819 /nfs/dbraw/zinc/50/08/19/1130500819.db2.gz PEZOBJKMVPNCMV-FXAWDEMLSA-N 2 1 330.516 3.586 20 0 EHADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000676313496 1130563608 /nfs/dbraw/zinc/56/36/08/1130563608.db2.gz ARVHJAIIBAWVJW-JOCHJYFZSA-N 2 1 341.543 3.556 20 0 EHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000676313496 1130563613 /nfs/dbraw/zinc/56/36/13/1130563613.db2.gz ARVHJAIIBAWVJW-JOCHJYFZSA-N 2 1 341.543 3.556 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cscc2Br)c1 ZINC000285618358 1130627071 /nfs/dbraw/zinc/62/70/71/1130627071.db2.gz ZGTNPRXRXOTUGP-UHFFFAOYSA-N 2 1 339.302 3.862 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000347935605 1131093355 /nfs/dbraw/zinc/09/33/55/1131093355.db2.gz QARFDXMVTWIQJN-SWLSCSKDSA-N 2 1 346.441 3.587 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000347935605 1131093359 /nfs/dbraw/zinc/09/33/59/1131093359.db2.gz QARFDXMVTWIQJN-SWLSCSKDSA-N 2 1 346.441 3.587 20 0 EHADMP c1cc2c(cccc2CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000282683099 1131138142 /nfs/dbraw/zinc/13/81/42/1131138142.db2.gz NOXAOHFFFSIQJW-UHFFFAOYSA-N 2 1 333.479 3.965 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172747687 1131831447 /nfs/dbraw/zinc/83/14/47/1131831447.db2.gz AQZHZSYGCBJRRC-QWFCFKBJSA-N 2 1 346.515 3.749 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172747687 1131831451 /nfs/dbraw/zinc/83/14/51/1131831451.db2.gz AQZHZSYGCBJRRC-QWFCFKBJSA-N 2 1 346.515 3.749 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172710649 1131834148 /nfs/dbraw/zinc/83/41/48/1131834148.db2.gz JUYNFGRPPAYLHO-IBGZPJMESA-N 2 1 341.886 3.769 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172833241 1131856662 /nfs/dbraw/zinc/85/66/62/1131856662.db2.gz PWIJAHSIZYPWIM-FQEVSTJZSA-N 2 1 335.495 3.795 20 0 EHADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172930804 1131909274 /nfs/dbraw/zinc/90/92/74/1131909274.db2.gz RVSCRWYVJGOBAR-MUGJNUQGSA-N 2 1 334.479 3.855 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949440 1131927157 /nfs/dbraw/zinc/92/71/57/1131927157.db2.gz KCISYLDKIIVGDL-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949440 1131927162 /nfs/dbraw/zinc/92/71/62/1131927162.db2.gz KCISYLDKIIVGDL-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951580 1131928324 /nfs/dbraw/zinc/92/83/24/1131928324.db2.gz RTFUPOGIAJVAPT-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951580 1131928333 /nfs/dbraw/zinc/92/83/33/1131928333.db2.gz RTFUPOGIAJVAPT-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001173074481 1131956312 /nfs/dbraw/zinc/95/63/12/1131956312.db2.gz FYELGTSYWHBJCU-DZGCQCFKSA-N 2 1 330.394 3.590 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001173112586 1131970030 /nfs/dbraw/zinc/97/00/30/1131970030.db2.gz CPKNSGNQZQTIJG-KPQWGBOZSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001173112932 1131970849 /nfs/dbraw/zinc/97/08/49/1131970849.db2.gz FENNFGFMLDMRPH-AFMYVXGZSA-N 2 1 331.504 3.578 20 0 EHADMP C(C1CCOCC1)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001173118464 1131972545 /nfs/dbraw/zinc/97/25/45/1131972545.db2.gz OGIAXTGJUYPLAP-HXUWFJFHSA-N 2 1 334.548 3.970 20 0 EHADMP C(C1CCOCC1)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001173118464 1131972548 /nfs/dbraw/zinc/97/25/48/1131972548.db2.gz OGIAXTGJUYPLAP-HXUWFJFHSA-N 2 1 334.548 3.970 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173136158 1131978048 /nfs/dbraw/zinc/97/80/48/1131978048.db2.gz DWJDCEOVAOBYLP-GOSISDBHSA-N 2 1 341.524 3.597 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173136158 1131978057 /nfs/dbraw/zinc/97/80/57/1131978057.db2.gz DWJDCEOVAOBYLP-GOSISDBHSA-N 2 1 341.524 3.597 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001173173038 1131991413 /nfs/dbraw/zinc/99/14/13/1131991413.db2.gz LYZKXRYBOYUHKO-OCBLOMHFSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001173173038 1131991420 /nfs/dbraw/zinc/99/14/20/1131991420.db2.gz LYZKXRYBOYUHKO-OCBLOMHFSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001173173038 1131991428 /nfs/dbraw/zinc/99/14/28/1131991428.db2.gz LYZKXRYBOYUHKO-OCBLOMHFSA-N 2 1 348.556 3.848 20 0 EHADMP c1[nH+]cn(C2CCC(Oc3ccccc3)CC2)c1C1CC[NH2+]CC1 ZINC001173205021 1132011937 /nfs/dbraw/zinc/01/19/37/1132011937.db2.gz BQOJHHWBYICDTC-UHFFFAOYSA-N 2 1 325.456 3.913 20 0 EHADMP CCc1ccc(C[C@@H](C)[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)cc1 ZINC001173243992 1132015321 /nfs/dbraw/zinc/01/53/21/1132015321.db2.gz RAIBBWXSSYBTAV-XMSQKQJNSA-N 2 1 344.543 3.755 20 0 EHADMP CCCC[C@H](CC(C)C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001173259234 1132022002 /nfs/dbraw/zinc/02/20/02/1132022002.db2.gz HQOXLUUUSOSQNT-LJQANCHMSA-N 2 1 346.563 3.942 20 0 EHADMP CCSC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001173308044 1132036263 /nfs/dbraw/zinc/03/62/63/1132036263.db2.gz KUAUQXSCCHUHDM-YSIASYRMSA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001173308044 1132036271 /nfs/dbraw/zinc/03/62/71/1132036271.db2.gz KUAUQXSCCHUHDM-YSIASYRMSA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001173308044 1132036279 /nfs/dbraw/zinc/03/62/79/1132036279.db2.gz KUAUQXSCCHUHDM-YSIASYRMSA-N 2 1 332.557 3.972 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001173438236 1132069344 /nfs/dbraw/zinc/06/93/44/1132069344.db2.gz ZEWIMNPIMXJIGC-BJLQDIEVSA-N 2 1 346.515 3.751 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001173438236 1132069352 /nfs/dbraw/zinc/06/93/52/1132069352.db2.gz ZEWIMNPIMXJIGC-BJLQDIEVSA-N 2 1 346.515 3.751 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001173448943 1132080000 /nfs/dbraw/zinc/08/00/00/1132080000.db2.gz PLBLDOJGVPMMPV-SFHVURJKSA-N 2 1 346.515 3.753 20 0 EHADMP CC(C)(C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000181791378 1132158327 /nfs/dbraw/zinc/15/83/27/1132158327.db2.gz GVCCTDWRJLGHIL-UHFFFAOYSA-N 2 1 330.516 3.589 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205991736 1132534730 /nfs/dbraw/zinc/53/47/30/1132534730.db2.gz BTAFZRDQKJUTJE-VXGBXAGGSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000766494123 1132555240 /nfs/dbraw/zinc/55/52/40/1132555240.db2.gz PCPMHYLHUNJONK-FQEVSTJZSA-N 2 1 336.483 3.648 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]2C1 ZINC001175211717 1132595183 /nfs/dbraw/zinc/59/51/83/1132595183.db2.gz VFNRIAYUKSBZRR-KGLIPLIRSA-N 2 1 330.419 3.682 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]2C1 ZINC001175211717 1132595188 /nfs/dbraw/zinc/59/51/88/1132595188.db2.gz VFNRIAYUKSBZRR-KGLIPLIRSA-N 2 1 330.419 3.682 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]2C1 ZINC001175211717 1132595192 /nfs/dbraw/zinc/59/51/92/1132595192.db2.gz VFNRIAYUKSBZRR-KGLIPLIRSA-N 2 1 330.419 3.682 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C2 ZINC001169096914 1132652897 /nfs/dbraw/zinc/65/28/97/1132652897.db2.gz ZSSDQVIDGJWBSF-BIRZXAFVSA-N 2 1 336.479 3.676 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C2 ZINC001169096914 1132652900 /nfs/dbraw/zinc/65/29/00/1132652900.db2.gz ZSSDQVIDGJWBSF-BIRZXAFVSA-N 2 1 336.479 3.676 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3cccnc3)CCC(F)(F)CC1)C2 ZINC001169117155 1132662610 /nfs/dbraw/zinc/66/26/10/1132662610.db2.gz WWDPLUDVDLAZEJ-BCDXTJNWSA-N 2 1 349.469 3.787 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CCOCC1)c1cccc(F)c1)C2 ZINC001169109567 1132671687 /nfs/dbraw/zinc/67/16/87/1132671687.db2.gz DLXDDRMHHCMBCW-BURNTYAHSA-N 2 1 346.490 3.898 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC001175444833 1132671993 /nfs/dbraw/zinc/67/19/93/1132671993.db2.gz OXCZPDZOJLNDPD-UXHICEINSA-N 2 1 330.541 3.857 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)OCc1cc(Cl)ccc13)C2 ZINC001169155326 1132679843 /nfs/dbraw/zinc/67/98/43/1132679843.db2.gz NDXRLVQBIADUBM-BCDXTJNWSA-N 2 1 346.902 3.787 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc4sccc43)CC1)C2 ZINC001169155531 1132680070 /nfs/dbraw/zinc/68/00/70/1132680070.db2.gz QKCRWYYTNUTONM-FVQHAEBGSA-N 2 1 341.524 3.649 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc4sccc43)CC1)C2 ZINC001169155531 1132680076 /nfs/dbraw/zinc/68/00/76/1132680076.db2.gz QKCRWYYTNUTONM-FVQHAEBGSA-N 2 1 341.524 3.649 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169155194 1132680104 /nfs/dbraw/zinc/68/01/04/1132680104.db2.gz ZNXWLQRIOZKKNL-YSTOQKLRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169155194 1132680108 /nfs/dbraw/zinc/68/01/08/1132680108.db2.gz ZNXWLQRIOZKKNL-YSTOQKLRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169155194 1132680115 /nfs/dbraw/zinc/68/01/15/1132680115.db2.gz ZNXWLQRIOZKKNL-YSTOQKLRSA-N 2 1 328.500 3.575 20 0 EHADMP C[C@H]1OC2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160804 1132683056 /nfs/dbraw/zinc/68/30/56/1132683056.db2.gz LKJYLVCRYDSWFH-ZJPYXAASSA-N 2 1 326.484 3.694 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004044 1132687905 /nfs/dbraw/zinc/68/79/05/1132687905.db2.gz PEELZLCRBYTXHZ-PWSUYJOCSA-N 2 1 336.348 3.790 20 0 EHADMP COc1cccc2[nH]c([N@@H+]3C=C(N)C(=[NH2+])C(c4cccc(F)c4)=C3)cc21 ZINC001176062411 1132839023 /nfs/dbraw/zinc/83/90/23/1132839023.db2.gz URJSMTLRQFTPCF-UHFFFAOYSA-N 2 1 348.381 3.835 20 0 EHADMP COc1cccc2[nH]c([N@H+]3C=C(N)C(=[NH2+])C(c4cccc(F)c4)=C3)cc21 ZINC001176062411 1132839032 /nfs/dbraw/zinc/83/90/32/1132839032.db2.gz URJSMTLRQFTPCF-UHFFFAOYSA-N 2 1 348.381 3.835 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206022490 1132875410 /nfs/dbraw/zinc/87/54/10/1132875410.db2.gz CHQUHACGRLGKJX-LSDHHAIUSA-N 2 1 339.321 3.873 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206024520 1132889623 /nfs/dbraw/zinc/88/96/23/1132889623.db2.gz JMHHKYXFXONRRX-ZYHUDNBSSA-N 2 1 335.801 3.561 20 0 EHADMP C[NH+](C)CCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206295550 1133041014 /nfs/dbraw/zinc/04/10/14/1133041014.db2.gz GTNULLDCYIUVRJ-CQSZACIVSA-N 2 1 331.287 3.536 20 0 EHADMP C[NH+](C)CCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206295550 1133041020 /nfs/dbraw/zinc/04/10/20/1133041020.db2.gz GTNULLDCYIUVRJ-CQSZACIVSA-N 2 1 331.287 3.536 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001177295193 1133048218 /nfs/dbraw/zinc/04/82/18/1133048218.db2.gz YXJARXFXNPSDAP-OKILXGFUSA-N 2 1 344.421 3.885 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001177295193 1133048226 /nfs/dbraw/zinc/04/82/26/1133048226.db2.gz YXJARXFXNPSDAP-OKILXGFUSA-N 2 1 344.421 3.885 20 0 EHADMP COc1cc2c(cc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC001177299587 1133048300 /nfs/dbraw/zinc/04/83/00/1133048300.db2.gz WQQCSEWQYRVPFN-SJORKVTESA-N 2 1 346.515 3.763 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001177299502 1133048341 /nfs/dbraw/zinc/04/83/41/1133048341.db2.gz STIKMMNKRFBSLR-JKSUJKDBSA-N 2 1 335.561 3.870 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC001177319036 1133054456 /nfs/dbraw/zinc/05/44/56/1133054456.db2.gz RGEPAJFSTJMZGQ-AWEZNQCLSA-N 2 1 334.410 3.873 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)cc2F)CC1 ZINC001206305094 1133073614 /nfs/dbraw/zinc/07/36/14/1133073614.db2.gz SSVLDVHORNKBEC-OAHLLOKOSA-N 2 1 329.257 3.539 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000768104436 1133095371 /nfs/dbraw/zinc/09/53/71/1133095371.db2.gz KJVKSLQNLBTNMM-BBRMVZONSA-N 2 1 340.870 3.773 20 0 EHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)CCCO2 ZINC000768102993 1133095886 /nfs/dbraw/zinc/09/58/86/1133095886.db2.gz VKJGWHXYJPDPRT-HNAYVOBHSA-N 2 1 327.472 3.894 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC3CC(C(F)F)C3)cc2)CC1 ZINC000768666222 1133168864 /nfs/dbraw/zinc/16/88/64/1133168864.db2.gz BHFARLBYXAEZAV-UHFFFAOYSA-N 2 1 337.458 3.920 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3ccccc32)C1 ZINC001178463029 1133170996 /nfs/dbraw/zinc/17/09/96/1133170996.db2.gz LJLLHVIXSSHMJA-QFIPXVFZSA-N 2 1 346.474 3.696 20 0 EHADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585577 1133179719 /nfs/dbraw/zinc/17/97/19/1133179719.db2.gz XPZMAOYWEKDNGQ-HKUYNNGSSA-N 2 1 328.500 3.939 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000768920369 1133204263 /nfs/dbraw/zinc/20/42/63/1133204263.db2.gz NMYPXSOTMXKOKH-UHFFFAOYSA-N 2 1 346.544 3.923 20 0 EHADMP Fc1ccc(Br)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001178916213 1133211682 /nfs/dbraw/zinc/21/16/82/1133211682.db2.gz BWJIAZGDAOWAGT-UHFFFAOYSA-N 2 1 334.192 3.526 20 0 EHADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146590 1133230918 /nfs/dbraw/zinc/23/09/18/1133230918.db2.gz AIIHYLGHDYFQDF-PZJWPPBQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146590 1133230924 /nfs/dbraw/zinc/23/09/24/1133230924.db2.gz AIIHYLGHDYFQDF-PZJWPPBQSA-N 2 1 343.559 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000769483173 1133287682 /nfs/dbraw/zinc/28/76/82/1133287682.db2.gz GUPUBRGFAZLLHD-LRDDRELGSA-N 2 1 346.544 3.779 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897846 1133293810 /nfs/dbraw/zinc/29/38/10/1133293810.db2.gz ABAJMTDSEOMSFX-AEFFLSMTSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897846 1133293812 /nfs/dbraw/zinc/29/38/12/1133293812.db2.gz ABAJMTDSEOMSFX-AEFFLSMTSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897846 1133293815 /nfs/dbraw/zinc/29/38/15/1133293815.db2.gz ABAJMTDSEOMSFX-AEFFLSMTSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CCC(C[N@@H+](CCc2ccc(C)cc2)C[C@H]2CCCO2)CC1 ZINC001179877159 1133297282 /nfs/dbraw/zinc/29/72/82/1133297282.db2.gz AGRJBMLXQYSPPL-JOCHJYFZSA-N 2 1 344.543 3.750 20 0 EHADMP CCOc1cc2c(cc1OCC)C[N@@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001179951574 1133304543 /nfs/dbraw/zinc/30/45/43/1133304543.db2.gz LCPUKFHJBBYDHJ-UHFFFAOYSA-N 2 1 346.515 3.574 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769695757 1133331381 /nfs/dbraw/zinc/33/13/81/1133331381.db2.gz YTBGHMQVQRLHSQ-IXDOHACOSA-N 2 1 341.540 3.532 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769695757 1133331386 /nfs/dbraw/zinc/33/13/86/1133331386.db2.gz YTBGHMQVQRLHSQ-IXDOHACOSA-N 2 1 341.540 3.532 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000769869162 1133356304 /nfs/dbraw/zinc/35/63/04/1133356304.db2.gz CEJGBHGHUUDJMW-VQIMIIECSA-N 2 1 341.499 3.761 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000769869162 1133356311 /nfs/dbraw/zinc/35/63/11/1133356311.db2.gz CEJGBHGHUUDJMW-VQIMIIECSA-N 2 1 341.499 3.761 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC001180809101 1133418944 /nfs/dbraw/zinc/41/89/44/1133418944.db2.gz AEOBBWOWOFLRGW-NHCUHLMSSA-N 2 1 342.527 3.846 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cn2ncc(Cl)c2C)CC1)CC1CC1 ZINC000770683733 1133458472 /nfs/dbraw/zinc/45/84/72/1133458472.db2.gz CXLNRKSKEVQQCI-UHFFFAOYSA-N 2 1 338.927 3.636 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cn2ncc(Cl)c2C)CC1)CC1CC1 ZINC000770683733 1133458476 /nfs/dbraw/zinc/45/84/76/1133458476.db2.gz CXLNRKSKEVQQCI-UHFFFAOYSA-N 2 1 338.927 3.636 20 0 EHADMP CC(C)O[C@@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001181515023 1133497807 /nfs/dbraw/zinc/49/78/07/1133497807.db2.gz PJVQNGPVNIUNRV-SFTDATJTSA-N 2 1 330.516 3.816 20 0 EHADMP CCc1sc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205281838 1133857006 /nfs/dbraw/zinc/85/70/06/1133857006.db2.gz YYUORJKEQNCSDR-AWEZNQCLSA-N 2 1 331.323 3.776 20 0 EHADMP CCc1sc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205281838 1133857010 /nfs/dbraw/zinc/85/70/10/1133857010.db2.gz YYUORJKEQNCSDR-AWEZNQCLSA-N 2 1 331.323 3.776 20 0 EHADMP C[C@@H]1CCCC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001184364456 1133928110 /nfs/dbraw/zinc/92/81/10/1133928110.db2.gz SUOMNCJQTLJOOK-APWZRJJASA-N 2 1 338.499 3.977 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000788594492 1134149621 /nfs/dbraw/zinc/14/96/21/1134149621.db2.gz NGZVQADHPFBQFN-KRWDZBQOSA-N 2 1 329.875 3.964 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774980557 1134175603 /nfs/dbraw/zinc/17/56/03/1134175603.db2.gz ZTJYPMDEPWCTHZ-AWEZNQCLSA-N 2 1 325.294 3.579 20 0 EHADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134819 1134410340 /nfs/dbraw/zinc/41/03/40/1134410340.db2.gz DUSQKDHKQYTTAA-GUGJDKNPSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134819 1134410344 /nfs/dbraw/zinc/41/03/44/1134410344.db2.gz DUSQKDHKQYTTAA-GUGJDKNPSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134819 1134410349 /nfs/dbraw/zinc/41/03/49/1134410349.db2.gz DUSQKDHKQYTTAA-GUGJDKNPSA-N 2 1 346.559 3.636 20 0 EHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CC[C@@H](C)C4)CC3)C2)cc1 ZINC001170145867 1134481008 /nfs/dbraw/zinc/48/10/08/1134481008.db2.gz WNTZYCGHXHULCI-TZIWHRDSSA-N 2 1 342.527 3.850 20 0 EHADMP CC[NH+](CC)CCN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775364072 1134667169 /nfs/dbraw/zinc/66/71/69/1134667169.db2.gz LRJRNMVVESDPQF-GOSISDBHSA-N 2 1 347.547 3.674 20 0 EHADMP Nc1[nH]c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2[nH+]1 ZINC001170332794 1134751059 /nfs/dbraw/zinc/75/10/59/1134751059.db2.gz GSKYXOSIEINFCB-NNZMDNLPSA-N 2 1 347.466 3.753 20 0 EHADMP CCOc1c(F)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205570781 1134919094 /nfs/dbraw/zinc/91/90/94/1134919094.db2.gz OQEOSTFEIGKYNU-MRXNPFEDSA-N 2 1 332.822 3.531 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n(C)n1 ZINC000793523051 1134945942 /nfs/dbraw/zinc/94/59/42/1134945942.db2.gz HNZCXOXAJPLYFD-ZWKOTPCHSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000793522882 1134946318 /nfs/dbraw/zinc/94/63/18/1134946318.db2.gz GOENDIRQDNOTQJ-MSOLQXFVSA-N 2 1 340.515 3.954 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205601396 1135023627 /nfs/dbraw/zinc/02/36/27/1135023627.db2.gz FDMFBZHQLDJIJI-QZTJIDSGSA-N 2 1 326.525 3.587 20 0 EHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H](CO)CC(C)(C)C ZINC001194383440 1135261607 /nfs/dbraw/zinc/26/16/07/1135261607.db2.gz CUYUJQGDLGHRBV-FQEVSTJZSA-N 2 1 332.532 3.901 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CCC1(F)F ZINC001205734201 1135493094 /nfs/dbraw/zinc/49/30/94/1135493094.db2.gz CIQJIMKOFDBOHP-GFCCVEGCSA-N 2 1 337.241 3.842 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCSCc1ccccc1 ZINC001197930006 1135751959 /nfs/dbraw/zinc/75/19/59/1135751959.db2.gz ODJRVEVRAISKRL-QGZVFWFLSA-N 2 1 327.497 3.526 20 0 EHADMP CO[C@H](CC(C)C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001197909995 1135754970 /nfs/dbraw/zinc/75/49/70/1135754970.db2.gz AEVKCTMKEMBYJA-QHAWAJNXSA-N 2 1 330.516 3.501 20 0 EHADMP Cc1c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)sc2nc(C)nc(C)c12 ZINC000809767868 1135880418 /nfs/dbraw/zinc/88/04/18/1135880418.db2.gz WITBURGPHSBXNJ-HOTGVXAUSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)sc2nc(C)nc(C)c12 ZINC000809767868 1135880421 /nfs/dbraw/zinc/88/04/21/1135880421.db2.gz WITBURGPHSBXNJ-HOTGVXAUSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)sc2nc(C)nc(C)c12 ZINC000809767868 1135880424 /nfs/dbraw/zinc/88/04/24/1135880424.db2.gz WITBURGPHSBXNJ-HOTGVXAUSA-N 2 1 344.528 3.533 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001199328394 1135897886 /nfs/dbraw/zinc/89/78/86/1135897886.db2.gz ADCFQJMXJFJZEG-YHELAOLJSA-N 2 1 336.564 3.929 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001199721096 1135922637 /nfs/dbraw/zinc/92/26/37/1135922637.db2.gz DFQKJGOJBRSWBZ-WOJBJXKFSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001199721096 1135922640 /nfs/dbraw/zinc/92/26/40/1135922640.db2.gz DFQKJGOJBRSWBZ-WOJBJXKFSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199721096 1135922642 /nfs/dbraw/zinc/92/26/42/1135922642.db2.gz DFQKJGOJBRSWBZ-WOJBJXKFSA-N 2 1 345.575 3.855 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C)o2)CC1 ZINC000105464826 1135947805 /nfs/dbraw/zinc/94/78/05/1135947805.db2.gz IMQTURKQCZDZBK-INIZCTEOSA-N 2 1 345.462 3.720 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000776155862 1136006855 /nfs/dbraw/zinc/00/68/55/1136006855.db2.gz IYHWWPAUAPZABC-FHWLQOOXSA-N 2 1 334.479 3.756 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000776155862 1136006858 /nfs/dbraw/zinc/00/68/58/1136006858.db2.gz IYHWWPAUAPZABC-FHWLQOOXSA-N 2 1 334.479 3.756 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1cccs1)[NH+]1CCCCC1 ZINC001201954208 1136078016 /nfs/dbraw/zinc/07/80/16/1136078016.db2.gz ISQIDXYAKJWMHW-HNNXBMFYSA-N 2 1 332.517 3.503 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202160949 1136103177 /nfs/dbraw/zinc/10/31/77/1136103177.db2.gz PDBMJXVEVCQCFE-NRFANRHFSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1SC(C)(C)C ZINC000815563557 1136611223 /nfs/dbraw/zinc/61/12/23/1136611223.db2.gz GZIJYXMRELULGZ-CVEARBPZSA-N 2 1 336.545 3.685 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccsc3)C2)ccn1 ZINC000856560557 1136795378 /nfs/dbraw/zinc/79/53/78/1136795378.db2.gz IJSIQAUFDSUPCU-LJQANCHMSA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccsc3)C2)ccn1 ZINC000856560557 1136795379 /nfs/dbraw/zinc/79/53/79/1136795379.db2.gz IJSIQAUFDSUPCU-LJQANCHMSA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccsc3)C2)ccn1 ZINC000856560557 1136795382 /nfs/dbraw/zinc/79/53/82/1136795382.db2.gz IJSIQAUFDSUPCU-LJQANCHMSA-N 2 1 345.512 3.637 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](O)c1c(F)cccc1Cl ZINC000817919983 1136846437 /nfs/dbraw/zinc/84/64/37/1136846437.db2.gz XYEITMNTZSKEQU-LUUCLCGZSA-N 2 1 334.822 3.635 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819078546 1136911130 /nfs/dbraw/zinc/91/11/30/1136911130.db2.gz JIQPICUSSUHCOI-HRAATJIYSA-N 2 1 342.458 3.674 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C[C@@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189252 1136921839 /nfs/dbraw/zinc/92/18/39/1136921839.db2.gz FWPLWJNDQIDMOW-CZTZKLFOSA-N 2 1 338.495 3.610 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000339009956 1136928273 /nfs/dbraw/zinc/92/82/73/1136928273.db2.gz OAGVXFZZPBIAMZ-UHFFFAOYSA-N 2 1 342.886 3.802 20 0 EHADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Cl ZINC000820824477 1137005986 /nfs/dbraw/zinc/00/59/86/1137005986.db2.gz SWIUZYRGQSIKFB-QGGWKKEGSA-N 2 1 334.891 3.775 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212089 1137007913 /nfs/dbraw/zinc/00/79/13/1137007913.db2.gz DSFNPYGGZSFLLD-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171062009 1137148232 /nfs/dbraw/zinc/14/82/32/1137148232.db2.gz CNCVQSJCEAXUDE-OAHLLOKOSA-N 2 1 327.299 3.925 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136939709 1137151644 /nfs/dbraw/zinc/15/16/44/1137151644.db2.gz QMGQADBVNFICRS-UHFFFAOYSA-N 2 1 340.458 3.883 20 0 EHADMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC001136941778 1137154423 /nfs/dbraw/zinc/15/44/23/1137154423.db2.gz GTWRBLHORJFSMH-KRWDZBQOSA-N 2 1 348.393 3.687 20 0 EHADMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC001136941778 1137154424 /nfs/dbraw/zinc/15/44/24/1137154424.db2.gz GTWRBLHORJFSMH-KRWDZBQOSA-N 2 1 348.393 3.687 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074543 1137166121 /nfs/dbraw/zinc/16/61/21/1137166121.db2.gz TZDXDFQJDXWXCD-WHCBVINPSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074543 1137166123 /nfs/dbraw/zinc/16/61/23/1137166123.db2.gz TZDXDFQJDXWXCD-WHCBVINPSA-N 2 1 327.299 3.781 20 0 EHADMP CCOc1c(Cl)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001143831029 1137203859 /nfs/dbraw/zinc/20/38/59/1137203859.db2.gz DXKOSHNMVJQOBX-UHFFFAOYSA-N 2 1 328.859 3.651 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326736 1137213045 /nfs/dbraw/zinc/21/30/45/1137213045.db2.gz LROJWGMVGCPVKU-FXAWDEMLSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326736 1137213046 /nfs/dbraw/zinc/21/30/46/1137213046.db2.gz LROJWGMVGCPVKU-FXAWDEMLSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326736 1137213047 /nfs/dbraw/zinc/21/30/47/1137213047.db2.gz LROJWGMVGCPVKU-FXAWDEMLSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccccc3)C2)s1 ZINC000844326736 1137213048 /nfs/dbraw/zinc/21/30/48/1137213048.db2.gz LROJWGMVGCPVKU-FXAWDEMLSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144250805 1137261434 /nfs/dbraw/zinc/26/14/34/1137261434.db2.gz AAWXCTRXBGJVRF-HXUWFJFHSA-N 2 1 333.435 3.834 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)CC2 ZINC001202518860 1137300964 /nfs/dbraw/zinc/30/09/64/1137300964.db2.gz AHTPNRZAURXWMC-PMACEKPBSA-N 2 1 330.516 3.653 20 0 EHADMP c1ccc(CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230009 1137336820 /nfs/dbraw/zinc/33/68/20/1137336820.db2.gz VHTWGQGHAYWFRL-KNQAVFIVSA-N 2 1 335.495 3.829 20 0 EHADMP c1ccc(CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230009 1137336823 /nfs/dbraw/zinc/33/68/23/1137336823.db2.gz VHTWGQGHAYWFRL-KNQAVFIVSA-N 2 1 335.495 3.829 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000866230051 1137336843 /nfs/dbraw/zinc/33/68/43/1137336843.db2.gz WBAMWUUWAOETDI-LJQANCHMSA-N 2 1 337.511 3.699 20 0 EHADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866267127 1137340938 /nfs/dbraw/zinc/34/09/38/1137340938.db2.gz XUFXPBQQFSFAMJ-QFIXIFRTSA-N 2 1 346.490 3.682 20 0 EHADMP Cc1cccc([C@@H](O)C[N@@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccccc2)c1 ZINC000846222333 1137342244 /nfs/dbraw/zinc/34/22/44/1137342244.db2.gz MMRHJNZWIZVTOO-UGKGYDQZSA-N 2 1 338.495 3.530 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)c2cc1C(C)C ZINC000846708611 1137363280 /nfs/dbraw/zinc/36/32/80/1137363280.db2.gz SBCFKWMJCXFJNL-HOCLYGCPSA-N 2 1 328.456 3.536 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)c2cc1C(C)C ZINC000846708611 1137363282 /nfs/dbraw/zinc/36/32/82/1137363282.db2.gz SBCFKWMJCXFJNL-HOCLYGCPSA-N 2 1 328.456 3.536 20 0 EHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866562910 1137364894 /nfs/dbraw/zinc/36/48/94/1137364894.db2.gz WSYTUYODIVIOAS-ARWYELJZSA-N 2 1 348.453 3.609 20 0 EHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866562910 1137364896 /nfs/dbraw/zinc/36/48/96/1137364896.db2.gz WSYTUYODIVIOAS-ARWYELJZSA-N 2 1 348.453 3.609 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846853071 1137372209 /nfs/dbraw/zinc/37/22/09/1137372209.db2.gz QCTRYBOTDOXCBO-HNNXBMFYSA-N 2 1 337.389 3.861 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846853071 1137372211 /nfs/dbraw/zinc/37/22/11/1137372211.db2.gz QCTRYBOTDOXCBO-HNNXBMFYSA-N 2 1 337.389 3.861 20 0 EHADMP CCC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246842380 1137389607 /nfs/dbraw/zinc/38/96/07/1137389607.db2.gz YQBZETYYEIGPGD-CZUORRHYSA-N 2 1 325.294 3.802 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000773046527 1137461593 /nfs/dbraw/zinc/46/15/93/1137461593.db2.gz STUUAHSQKBBSLG-YVEFUNNKSA-N 2 1 342.886 3.754 20 0 EHADMP Fc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171398825 1137470722 /nfs/dbraw/zinc/47/07/22/1137470722.db2.gz ZPKJUNWIFZIGRP-ICSRJNTNSA-N 2 1 338.470 3.795 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000715449254 1137476663 /nfs/dbraw/zinc/47/66/63/1137476663.db2.gz BVUWAHHIXQZLHM-RZXSNQJFSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000715449254 1137476664 /nfs/dbraw/zinc/47/66/64/1137476664.db2.gz BVUWAHHIXQZLHM-RZXSNQJFSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716619065 1137487672 /nfs/dbraw/zinc/48/76/72/1137487672.db2.gz BARQSGMKIZYSQN-VLQCVTHLSA-N 2 1 328.500 3.587 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625767 1137487998 /nfs/dbraw/zinc/48/79/98/1137487998.db2.gz MUYCLMYVALIOES-PPGORRQASA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716625767 1137488000 /nfs/dbraw/zinc/48/80/00/1137488000.db2.gz MUYCLMYVALIOES-PPGORRQASA-N 3 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625767 1137488001 /nfs/dbraw/zinc/48/80/01/1137488001.db2.gz MUYCLMYVALIOES-PPGORRQASA-N 3 1 341.543 3.502 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716713775 1137488759 /nfs/dbraw/zinc/48/87/59/1137488759.db2.gz QLRXWCVEDMVROO-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716713775 1137488760 /nfs/dbraw/zinc/48/87/60/1137488760.db2.gz QLRXWCVEDMVROO-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716713775 1137488761 /nfs/dbraw/zinc/48/87/61/1137488761.db2.gz QLRXWCVEDMVROO-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505297 1137494679 /nfs/dbraw/zinc/49/46/79/1137494679.db2.gz HVTBKFLLABXLTM-ZFWWWQNUSA-N 2 1 340.433 3.815 20 0 EHADMP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171556204 1137497594 /nfs/dbraw/zinc/49/75/94/1137497594.db2.gz HYDDOVYANCOOSR-LGKPFJOYSA-N 2 1 332.491 3.572 20 0 EHADMP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171556204 1137497596 /nfs/dbraw/zinc/49/75/96/1137497596.db2.gz HYDDOVYANCOOSR-LGKPFJOYSA-N 2 1 332.491 3.572 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1(C)C ZINC001171631956 1137499860 /nfs/dbraw/zinc/49/98/60/1137499860.db2.gz QZUYYTSZXWTCNR-ROUUACIJSA-N 2 1 326.484 3.550 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1(C)C ZINC001171631956 1137499861 /nfs/dbraw/zinc/49/98/61/1137499861.db2.gz QZUYYTSZXWTCNR-ROUUACIJSA-N 2 1 326.484 3.550 20 0 EHADMP CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000123202923 1137501190 /nfs/dbraw/zinc/50/11/90/1137501190.db2.gz DFTPHFJEAQKIIO-HXUWFJFHSA-N 2 1 344.499 3.556 20 0 EHADMP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000123202923 1137501191 /nfs/dbraw/zinc/50/11/91/1137501191.db2.gz DFTPHFJEAQKIIO-HXUWFJFHSA-N 2 1 344.499 3.556 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641283 1137504488 /nfs/dbraw/zinc/50/44/88/1137504488.db2.gz OBAMAHIYGUJEHJ-SFHVURJKSA-N 2 1 331.504 3.576 20 0 EHADMP C[NH+]1C(C)(C)CC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1(C)C ZINC001171640595 1137504852 /nfs/dbraw/zinc/50/48/52/1137504852.db2.gz GXEQFOCCXSXRFX-UHFFFAOYSA-N 2 1 340.515 3.997 20 0 EHADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)c1 ZINC001171641686 1137504856 /nfs/dbraw/zinc/50/48/56/1137504856.db2.gz SZZBOQYUOBCRNF-GOSISDBHSA-N 2 1 345.531 3.885 20 0 EHADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725741 1137506239 /nfs/dbraw/zinc/50/62/39/1137506239.db2.gz BUFRPDMJLBODPG-YLJYHZDGSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@H]1C[C@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727274 1137506751 /nfs/dbraw/zinc/50/67/51/1137506751.db2.gz BELKSRDOBQROKU-WMZOPIPTSA-N 2 1 347.462 3.618 20 0 EHADMP C[C@H]1C[C@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171727274 1137506752 /nfs/dbraw/zinc/50/67/52/1137506752.db2.gz BELKSRDOBQROKU-WMZOPIPTSA-N 2 1 347.462 3.618 20 0 EHADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171759092 1137509063 /nfs/dbraw/zinc/50/90/63/1137509063.db2.gz GPMDWXPWEAXYNG-QRFRQXIXSA-N 2 1 338.499 3.561 20 0 EHADMP CCC(CC)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171733997 1137510370 /nfs/dbraw/zinc/51/03/70/1137510370.db2.gz LBDSRGHAQHXNQL-WIYYLYMNSA-N 2 1 343.559 3.892 20 0 EHADMP CCC(CC)[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171733997 1137510371 /nfs/dbraw/zinc/51/03/71/1137510371.db2.gz LBDSRGHAQHXNQL-WIYYLYMNSA-N 2 1 343.559 3.892 20 0 EHADMP COc1cccc2c1c(C[NH3+])cn2[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735974 1137510517 /nfs/dbraw/zinc/51/05/17/1137510517.db2.gz ZPGBSCRMMURHNH-QFBILLFUSA-N 2 1 349.478 3.944 20 0 EHADMP CC1(C)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881996 1137516734 /nfs/dbraw/zinc/51/67/34/1137516734.db2.gz DABCFIBONCEMOX-QFIPXVFZSA-N 2 1 344.543 3.772 20 0 EHADMP CC1(C)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881996 1137516735 /nfs/dbraw/zinc/51/67/35/1137516735.db2.gz DABCFIBONCEMOX-QFIPXVFZSA-N 2 1 344.543 3.772 20 0 EHADMP CC1(C)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881996 1137516736 /nfs/dbraw/zinc/51/67/36/1137516736.db2.gz DABCFIBONCEMOX-QFIPXVFZSA-N 2 1 344.543 3.772 20 0 EHADMP CC1(C)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881996 1137516737 /nfs/dbraw/zinc/51/67/37/1137516737.db2.gz DABCFIBONCEMOX-QFIPXVFZSA-N 2 1 344.543 3.772 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001171959245 1137519373 /nfs/dbraw/zinc/51/93/73/1137519373.db2.gz SYRRXHMMGZJSBE-VDNDLQMASA-N 2 1 326.406 3.851 20 0 EHADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171967588 1137520839 /nfs/dbraw/zinc/52/08/39/1137520839.db2.gz AUJUZTHBLMVQCV-LJQANCHMSA-N 2 1 348.531 3.808 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171972566 1137524277 /nfs/dbraw/zinc/52/42/77/1137524277.db2.gz RFRZRJOBSUUFOA-MHJFOBGBSA-N 2 1 329.532 3.631 20 0 EHADMP C[N@H+](C1CCC([NH3+])CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171972566 1137524279 /nfs/dbraw/zinc/52/42/79/1137524279.db2.gz RFRZRJOBSUUFOA-MHJFOBGBSA-N 3 1 329.532 3.631 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171972566 1137524280 /nfs/dbraw/zinc/52/42/80/1137524280.db2.gz RFRZRJOBSUUFOA-MHJFOBGBSA-N 3 1 329.532 3.631 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972566 1137524281 /nfs/dbraw/zinc/52/42/81/1137524281.db2.gz RFRZRJOBSUUFOA-MHJFOBGBSA-N 3 1 329.532 3.631 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972566 1137524283 /nfs/dbraw/zinc/52/42/83/1137524283.db2.gz RFRZRJOBSUUFOA-MHJFOBGBSA-N 3 1 329.532 3.631 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979913 1137526477 /nfs/dbraw/zinc/52/64/77/1137526477.db2.gz RHCQQDXVYSVSNK-ZJOUEHCJSA-N 2 1 330.516 3.713 20 0 EHADMP CC1(C)C[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985522 1137527023 /nfs/dbraw/zinc/52/70/23/1137527023.db2.gz XOTCWLBSELCOKV-NHCUHLMSSA-N 2 1 341.543 3.600 20 0 EHADMP CO[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988303 1137527784 /nfs/dbraw/zinc/52/77/84/1137527784.db2.gz RGXQIKBUMBJYQH-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988303 1137527786 /nfs/dbraw/zinc/52/77/86/1137527786.db2.gz RGXQIKBUMBJYQH-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988303 1137527788 /nfs/dbraw/zinc/52/77/88/1137527788.db2.gz RGXQIKBUMBJYQH-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP C[N@H+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071903 1137530097 /nfs/dbraw/zinc/53/00/97/1137530097.db2.gz AIYFONNCSHGYFQ-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071903 1137530099 /nfs/dbraw/zinc/53/00/99/1137530099.db2.gz AIYFONNCSHGYFQ-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071903 1137530101 /nfs/dbraw/zinc/53/01/01/1137530101.db2.gz AIYFONNCSHGYFQ-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071903 1137530103 /nfs/dbraw/zinc/53/01/03/1137530103.db2.gz AIYFONNCSHGYFQ-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP CCC[N@H+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078584 1137531155 /nfs/dbraw/zinc/53/11/55/1137531155.db2.gz IWVGNOKGJWYVOR-WKCHPHFGSA-N 2 1 330.516 3.931 20 0 EHADMP CCC[N@@H+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078584 1137531156 /nfs/dbraw/zinc/53/11/56/1137531156.db2.gz IWVGNOKGJWYVOR-WKCHPHFGSA-N 2 1 330.516 3.931 20 0 EHADMP CCC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078584 1137531158 /nfs/dbraw/zinc/53/11/58/1137531158.db2.gz IWVGNOKGJWYVOR-WKCHPHFGSA-N 2 1 330.516 3.931 20 0 EHADMP CCC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078584 1137531160 /nfs/dbraw/zinc/53/11/60/1137531160.db2.gz IWVGNOKGJWYVOR-WKCHPHFGSA-N 2 1 330.516 3.931 20 0 EHADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCOC[C@@H]2C2CC2)C3)cc1 ZINC001172081607 1137531299 /nfs/dbraw/zinc/53/12/99/1137531299.db2.gz HLUAYVFZZAOVMF-CLAROIROSA-N 2 1 340.511 3.683 20 0 EHADMP FC[C@H]1[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001172084307 1137531347 /nfs/dbraw/zinc/53/13/47/1137531347.db2.gz WCMHONNYZFMXKI-QUTUUGMOSA-N 2 1 328.475 3.719 20 0 EHADMP FC[C@H]1[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001172084307 1137531349 /nfs/dbraw/zinc/53/13/49/1137531349.db2.gz WCMHONNYZFMXKI-QUTUUGMOSA-N 2 1 328.475 3.719 20 0 EHADMP FC[C@H]1[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001172084307 1137531351 /nfs/dbraw/zinc/53/13/51/1137531351.db2.gz WCMHONNYZFMXKI-QUTUUGMOSA-N 2 1 328.475 3.719 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069578 1137534011 /nfs/dbraw/zinc/53/40/11/1137534011.db2.gz RJKBNHLEPDHDQV-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069578 1137534012 /nfs/dbraw/zinc/53/40/12/1137534012.db2.gz RJKBNHLEPDHDQV-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069578 1137534013 /nfs/dbraw/zinc/53/40/13/1137534013.db2.gz RJKBNHLEPDHDQV-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069578 1137534014 /nfs/dbraw/zinc/53/40/14/1137534014.db2.gz RJKBNHLEPDHDQV-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC4(C2)CCCOC4)C3)cc1 ZINC001172068764 1137534503 /nfs/dbraw/zinc/53/45/03/1137534503.db2.gz KMGZQASYWJTSJO-AERCQKQUSA-N 2 1 340.511 3.685 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128025 1137535157 /nfs/dbraw/zinc/53/51/57/1137535157.db2.gz NPPJPQIDLBKFHS-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128025 1137535159 /nfs/dbraw/zinc/53/51/59/1137535159.db2.gz NPPJPQIDLBKFHS-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172128025 1137535160 /nfs/dbraw/zinc/53/51/60/1137535160.db2.gz NPPJPQIDLBKFHS-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172128025 1137535161 /nfs/dbraw/zinc/53/51/61/1137535161.db2.gz NPPJPQIDLBKFHS-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccccc1S[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129827 1137535727 /nfs/dbraw/zinc/53/57/27/1137535727.db2.gz LEYXCHVNEMGTDU-XMTFNYHQSA-N 2 1 346.540 3.877 20 0 EHADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129827 1137535728 /nfs/dbraw/zinc/53/57/28/1137535728.db2.gz LEYXCHVNEMGTDU-XMTFNYHQSA-N 2 1 346.540 3.877 20 0 EHADMP COc1ccccc1S[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129827 1137535730 /nfs/dbraw/zinc/53/57/30/1137535730.db2.gz LEYXCHVNEMGTDU-XMTFNYHQSA-N 2 1 346.540 3.877 20 0 EHADMP COc1ccccc1S[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129827 1137535731 /nfs/dbraw/zinc/53/57/31/1137535731.db2.gz LEYXCHVNEMGTDU-XMTFNYHQSA-N 2 1 346.540 3.877 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cc(Br)ccc1F)C2 ZINC001172105098 1137536273 /nfs/dbraw/zinc/53/62/73/1137536273.db2.gz GOHZPTIHAMBFSB-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001172105098 1137536274 /nfs/dbraw/zinc/53/62/74/1137536274.db2.gz GOHZPTIHAMBFSB-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001172105098 1137536276 /nfs/dbraw/zinc/53/62/76/1137536276.db2.gz GOHZPTIHAMBFSB-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccsc1Br)C2 ZINC001172105773 1137536359 /nfs/dbraw/zinc/53/63/59/1137536359.db2.gz KIWGUBPNHQXETL-XYYAHUGASA-N 2 1 329.307 3.616 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC001172105773 1137536360 /nfs/dbraw/zinc/53/63/60/1137536360.db2.gz KIWGUBPNHQXETL-XYYAHUGASA-N 2 1 329.307 3.616 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC001172105773 1137536361 /nfs/dbraw/zinc/53/63/61/1137536361.db2.gz KIWGUBPNHQXETL-XYYAHUGASA-N 2 1 329.307 3.616 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3cc(Cl)ccc31)C2 ZINC001172103888 1137536543 /nfs/dbraw/zinc/53/65/43/1137536543.db2.gz XTXJLAXSMHXQSC-BJWYYQGGSA-N 2 1 331.891 3.984 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001172109854 1137537072 /nfs/dbraw/zinc/53/70/72/1137537072.db2.gz FNMVIVKSVCGXFV-LDLYASANSA-N 2 1 348.918 3.951 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001172109854 1137537073 /nfs/dbraw/zinc/53/70/73/1137537073.db2.gz FNMVIVKSVCGXFV-LDLYASANSA-N 2 1 348.918 3.951 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111478 1137537576 /nfs/dbraw/zinc/53/75/76/1137537576.db2.gz RPSXDRTVMCGVFZ-YVSFHVDLSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111478 1137537578 /nfs/dbraw/zinc/53/75/78/1137537578.db2.gz RPSXDRTVMCGVFZ-YVSFHVDLSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001172113792 1137537781 /nfs/dbraw/zinc/53/77/81/1137537781.db2.gz MJVCSKKHBJXFOZ-ILOCAZANSA-N 2 1 349.316 3.910 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001172113792 1137537783 /nfs/dbraw/zinc/53/77/83/1137537783.db2.gz MJVCSKKHBJXFOZ-ILOCAZANSA-N 2 1 349.316 3.910 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001172113791 1137537905 /nfs/dbraw/zinc/53/79/05/1137537905.db2.gz MJVCSKKHBJXFOZ-FLXSYLCISA-N 2 1 349.316 3.910 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001172113791 1137537906 /nfs/dbraw/zinc/53/79/06/1137537906.db2.gz MJVCSKKHBJXFOZ-FLXSYLCISA-N 2 1 349.316 3.910 20 0 EHADMP COCCC[NH+]1CCC([N@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC001172255145 1137544709 /nfs/dbraw/zinc/54/47/09/1137544709.db2.gz JRJYQUDAGRTVJX-UHFFFAOYSA-N 2 1 344.421 3.638 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC001172255145 1137544710 /nfs/dbraw/zinc/54/47/10/1137544710.db2.gz JRJYQUDAGRTVJX-UHFFFAOYSA-N 2 1 344.421 3.638 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC001172255551 1137544928 /nfs/dbraw/zinc/54/49/28/1137544928.db2.gz VRRIWMHIOKDDPZ-LJQANCHMSA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC001172255551 1137544929 /nfs/dbraw/zinc/54/49/29/1137544929.db2.gz VRRIWMHIOKDDPZ-LJQANCHMSA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001172253600 1137544934 /nfs/dbraw/zinc/54/49/34/1137544934.db2.gz WCEJIFWXAHUZBS-UHFFFAOYSA-N 2 1 344.421 3.638 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001172253600 1137544935 /nfs/dbraw/zinc/54/49/35/1137544935.db2.gz WCEJIFWXAHUZBS-UHFFFAOYSA-N 2 1 344.421 3.638 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172293891 1137548560 /nfs/dbraw/zinc/54/85/60/1137548560.db2.gz UGQBGHXRIQMVST-GOSISDBHSA-N 2 1 336.907 3.804 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172293891 1137548561 /nfs/dbraw/zinc/54/85/61/1137548561.db2.gz UGQBGHXRIQMVST-GOSISDBHSA-N 2 1 336.907 3.804 20 0 EHADMP CCOCC[C@@H](C)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001172421695 1137556510 /nfs/dbraw/zinc/55/65/10/1137556510.db2.gz ZAKVFJIFTHYLLF-SREGSLNRSA-N 2 1 330.516 3.930 20 0 EHADMP CCc1nc(C(C)C)ccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784599 1137558132 /nfs/dbraw/zinc/55/81/32/1137558132.db2.gz IGGRRSFCVVBGBG-ALOPSCKCSA-N 2 1 344.503 3.639 20 0 EHADMP CCc1nc(C(C)C)ccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784599 1137558133 /nfs/dbraw/zinc/55/81/33/1137558133.db2.gz IGGRRSFCVVBGBG-ALOPSCKCSA-N 2 1 344.503 3.639 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872034770 1137566651 /nfs/dbraw/zinc/56/66/51/1137566651.db2.gz RETIVXYVUBDWNM-GOSISDBHSA-N 2 1 347.572 3.619 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151344 1137574102 /nfs/dbraw/zinc/57/41/02/1137574102.db2.gz VHVQXUGSANXNKR-IRUJWGPZSA-N 2 1 340.311 3.835 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151344 1137574103 /nfs/dbraw/zinc/57/41/03/1137574103.db2.gz VHVQXUGSANXNKR-IRUJWGPZSA-N 2 1 340.311 3.835 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872259886 1137576675 /nfs/dbraw/zinc/57/66/75/1137576675.db2.gz COHGOYNWCAPNMZ-NRFANRHFSA-N 2 1 346.515 3.551 20 0 EHADMP Cc1sc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Br ZINC000873016931 1137588101 /nfs/dbraw/zinc/58/81/01/1137588101.db2.gz UCCFGXQXIBBGNC-UHFFFAOYSA-N 2 1 343.334 3.783 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C)ccc(Br)c1F ZINC000873016334 1137588181 /nfs/dbraw/zinc/58/81/81/1137588181.db2.gz KEONPDWGUXIKKA-UHFFFAOYSA-N 2 1 340.240 3.581 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1C(F)(F)F ZINC000873227699 1137594481 /nfs/dbraw/zinc/59/44/81/1137594481.db2.gz MRRHGXCBMSRVMJ-GDBMZVCRSA-N 2 1 340.414 3.984 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1C(F)(F)F ZINC000873227699 1137594482 /nfs/dbraw/zinc/59/44/82/1137594482.db2.gz MRRHGXCBMSRVMJ-GDBMZVCRSA-N 2 1 340.414 3.984 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783001 1137661251 /nfs/dbraw/zinc/66/12/51/1137661251.db2.gz SWZZXXYADCUCIH-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783001 1137661252 /nfs/dbraw/zinc/66/12/52/1137661252.db2.gz SWZZXXYADCUCIH-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783001 1137661253 /nfs/dbraw/zinc/66/12/53/1137661253.db2.gz SWZZXXYADCUCIH-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783001 1137661254 /nfs/dbraw/zinc/66/12/54/1137661254.db2.gz SWZZXXYADCUCIH-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000876931389 1137665619 /nfs/dbraw/zinc/66/56/19/1137665619.db2.gz NKDQVVDNQBOVKY-HNNXBMFYSA-N 2 1 344.890 3.652 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000876931389 1137665620 /nfs/dbraw/zinc/66/56/20/1137665620.db2.gz NKDQVVDNQBOVKY-HNNXBMFYSA-N 2 1 344.890 3.652 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007564 1137667572 /nfs/dbraw/zinc/66/75/72/1137667572.db2.gz WFFAIJNOBOMNGD-KRWDZBQOSA-N 2 1 343.902 3.576 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007564 1137667573 /nfs/dbraw/zinc/66/75/73/1137667573.db2.gz WFFAIJNOBOMNGD-KRWDZBQOSA-N 2 1 343.902 3.576 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)cn1 ZINC000126517008 1137675721 /nfs/dbraw/zinc/67/57/21/1137675721.db2.gz UBDDASDVTQWEKF-OAQYLSRUSA-N 2 1 346.478 3.995 20 0 EHADMP CCOC(CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OCC ZINC000877467021 1137677076 /nfs/dbraw/zinc/67/70/76/1137677076.db2.gz VMKSIFAUJSUQJJ-QUCCMNQESA-N 2 1 346.515 3.733 20 0 EHADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OCC ZINC000877467021 1137677077 /nfs/dbraw/zinc/67/70/77/1137677077.db2.gz VMKSIFAUJSUQJJ-QUCCMNQESA-N 2 1 346.515 3.733 20 0 EHADMP COC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000877545779 1137680768 /nfs/dbraw/zinc/68/07/68/1137680768.db2.gz FFQRUZJQDGFYFM-IHWFROFDSA-N 2 1 328.500 3.731 20 0 EHADMP CCOP(=O)(CCC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)OCC ZINC000877631180 1137683551 /nfs/dbraw/zinc/68/35/51/1137683551.db2.gz PTZCXNMQWVNIHM-INIZCTEOSA-N 2 1 346.452 3.639 20 0 EHADMP CCOP(=O)(CCC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)OCC ZINC000877631180 1137683552 /nfs/dbraw/zinc/68/35/52/1137683552.db2.gz PTZCXNMQWVNIHM-INIZCTEOSA-N 2 1 346.452 3.639 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000877653616 1137684432 /nfs/dbraw/zinc/68/44/32/1137684432.db2.gz OSTDEYAWNSOCLR-KRWDZBQOSA-N 2 1 347.503 3.855 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878157116 1137705044 /nfs/dbraw/zinc/70/50/44/1137705044.db2.gz VSKMEEHXPCZXJB-BVSLBCMMSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878157116 1137705045 /nfs/dbraw/zinc/70/50/45/1137705045.db2.gz VSKMEEHXPCZXJB-BVSLBCMMSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878157116 1137705046 /nfs/dbraw/zinc/70/50/46/1137705046.db2.gz VSKMEEHXPCZXJB-BVSLBCMMSA-N 2 1 342.527 3.961 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000878369362 1137713180 /nfs/dbraw/zinc/71/31/80/1137713180.db2.gz LNFDJSXAVGHWDL-KXBFYZLASA-N 2 1 325.456 3.933 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000879203766 1137741186 /nfs/dbraw/zinc/74/11/86/1137741186.db2.gz VLGWREVWQYAPJV-VQTJNVASSA-N 2 1 328.500 3.857 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573716 1137751645 /nfs/dbraw/zinc/75/16/45/1137751645.db2.gz QAMCEQONTCRNMF-WBVHZDCISA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573716 1137751646 /nfs/dbraw/zinc/75/16/46/1137751646.db2.gz QAMCEQONTCRNMF-WBVHZDCISA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573716 1137751647 /nfs/dbraw/zinc/75/16/47/1137751647.db2.gz QAMCEQONTCRNMF-WBVHZDCISA-N 2 1 326.406 3.664 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000879964370 1137763305 /nfs/dbraw/zinc/76/33/05/1137763305.db2.gz GRLNUCPWRMPCTK-HXUWFJFHSA-N 2 1 330.516 3.655 20 0 EHADMP COc1ccccc1[C@H]1CSCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000880176625 1137770054 /nfs/dbraw/zinc/77/00/54/1137770054.db2.gz RDOWPTYAFIHRJY-GOSISDBHSA-N 2 1 345.512 3.770 20 0 EHADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000880176625 1137770055 /nfs/dbraw/zinc/77/00/55/1137770055.db2.gz RDOWPTYAFIHRJY-GOSISDBHSA-N 2 1 345.512 3.770 20 0 EHADMP CS[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000128445737 1137779900 /nfs/dbraw/zinc/77/99/00/1137779900.db2.gz ATLQMDWLSDYHAM-MOPGFXCFSA-N 2 1 336.520 3.706 20 0 EHADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000130498529 1137838785 /nfs/dbraw/zinc/83/87/85/1137838785.db2.gz IXXGPHKHQWYJKT-IEBWSBKVSA-N 2 1 344.499 3.839 20 0 EHADMP CC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC(F)(F)C1 ZINC000883250625 1137850530 /nfs/dbraw/zinc/85/05/30/1137850530.db2.gz GPDLMNIVAGILHD-UHFFFAOYSA-N 2 1 340.433 3.858 20 0 EHADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137186541 1137852369 /nfs/dbraw/zinc/85/23/69/1137852369.db2.gz YGUBVBVYDLUVJP-LJQANCHMSA-N 2 1 339.483 3.781 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)O2)cc1 ZINC000883429155 1137860381 /nfs/dbraw/zinc/86/03/81/1137860381.db2.gz NCZVYOQHUJNAPL-NCYKPQTJSA-N 2 1 328.500 3.618 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)c1 ZINC000121443518 1137957961 /nfs/dbraw/zinc/95/79/61/1137957961.db2.gz QOZIEDVSTXMBGG-HXUWFJFHSA-N 2 1 327.472 3.591 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000885922560 1138024642 /nfs/dbraw/zinc/02/46/42/1138024642.db2.gz DWQWDRRGARKSOQ-HNNXBMFYSA-N 2 1 326.488 3.548 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000885924121 1138025308 /nfs/dbraw/zinc/02/53/08/1138025308.db2.gz HTESMFJHBLMSRD-TZIWHRDSSA-N 2 1 330.516 3.897 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000885953900 1138028112 /nfs/dbraw/zinc/02/81/12/1138028112.db2.gz ISVKRXJDVMKBMW-LJQANCHMSA-N 2 1 340.515 3.617 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000885953900 1138028114 /nfs/dbraw/zinc/02/81/14/1138028114.db2.gz ISVKRXJDVMKBMW-LJQANCHMSA-N 2 1 340.515 3.617 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000885956565 1138028646 /nfs/dbraw/zinc/02/86/46/1138028646.db2.gz SJLRIWGJBKBGFE-RCCFBDPRSA-N 2 1 336.545 3.897 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000885956565 1138028648 /nfs/dbraw/zinc/02/86/48/1138028648.db2.gz SJLRIWGJBKBGFE-RCCFBDPRSA-N 2 1 336.545 3.897 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2F)c1 ZINC000885968968 1138029277 /nfs/dbraw/zinc/02/92/77/1138029277.db2.gz GFDOCBVZGAROGQ-UHFFFAOYSA-N 2 1 346.446 3.584 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2cccc(F)c2)[C@@H](C)C1 ZINC000885988405 1138030605 /nfs/dbraw/zinc/03/06/05/1138030605.db2.gz IKBNDIWZODCUAC-ZGYCNENWSA-N 2 1 334.479 3.566 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000052209994 1138045536 /nfs/dbraw/zinc/04/55/36/1138045536.db2.gz PJDSETBRDUSMHZ-UHFFFAOYSA-N 2 1 349.494 3.598 20 0 EHADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886536350 1138092555 /nfs/dbraw/zinc/09/25/55/1138092555.db2.gz GFUDMACNZDSLAV-YCZSINBZSA-N 2 1 335.495 3.655 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCc2cccnc21 ZINC000886541108 1138093453 /nfs/dbraw/zinc/09/34/53/1138093453.db2.gz QSMDISHVBARAPK-MBOZVWFJSA-N 2 1 335.495 3.815 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCc3cccnc32)C[N@H+]1Cc1ccccc1 ZINC000886554766 1138095505 /nfs/dbraw/zinc/09/55/05/1138095505.db2.gz BPKUPAUYFLDKHC-QFUCXCTJSA-N 2 1 335.495 3.959 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886628130 1138103531 /nfs/dbraw/zinc/10/35/31/1138103531.db2.gz GUCHTMVWNXAGNN-UQVNRYHBSA-N 2 1 328.500 3.587 20 0 EHADMP COc1cncc(/C=C/CC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886659754 1138109844 /nfs/dbraw/zinc/10/98/44/1138109844.db2.gz UUELBPDRERKGTM-GQCTYLIASA-N 2 1 340.471 3.713 20 0 EHADMP COC(=O)c1oc([C@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1C ZINC000886664166 1138111285 /nfs/dbraw/zinc/11/12/85/1138111285.db2.gz DHIDJCOCVNFPGF-AWEZNQCLSA-N 2 1 345.443 3.655 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000092165419 1138225246 /nfs/dbraw/zinc/22/52/46/1138225246.db2.gz XIQFRGRWUHJUEW-UHFFFAOYSA-N 2 1 348.441 3.661 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000092165419 1138225249 /nfs/dbraw/zinc/22/52/49/1138225249.db2.gz XIQFRGRWUHJUEW-UHFFFAOYSA-N 2 1 348.441 3.661 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000093644290 1138239418 /nfs/dbraw/zinc/23/94/18/1138239418.db2.gz XORWLQJFSQCOLL-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644290 1138239420 /nfs/dbraw/zinc/23/94/20/1138239420.db2.gz XORWLQJFSQCOLL-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644290 1138239421 /nfs/dbraw/zinc/23/94/21/1138239421.db2.gz XORWLQJFSQCOLL-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000282976912 1138247089 /nfs/dbraw/zinc/24/70/89/1138247089.db2.gz DNMSIZIIDRFXKO-XPGWFJOJSA-N 2 1 332.451 3.858 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1Oc1cccnc1 ZINC000125521259 1138310891 /nfs/dbraw/zinc/31/08/91/1138310891.db2.gz UDTUCWXISKMQDW-SFHVURJKSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1Oc1cccnc1 ZINC000125521259 1138310895 /nfs/dbraw/zinc/31/08/95/1138310895.db2.gz UDTUCWXISKMQDW-SFHVURJKSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000130615395 1138465318 /nfs/dbraw/zinc/46/53/18/1138465318.db2.gz FXKQPNNURQHCJJ-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000130615395 1138465321 /nfs/dbraw/zinc/46/53/21/1138465321.db2.gz FXKQPNNURQHCJJ-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP c1[nH+]c(C2CC[NH+](CCCCC3CCOCC3)CC2)n2c1CCCC2 ZINC000337236437 1138503592 /nfs/dbraw/zinc/50/35/92/1138503592.db2.gz LOXFKGFJIIPURQ-UHFFFAOYSA-N 2 1 345.531 3.996 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000337952303 1138706547 /nfs/dbraw/zinc/70/65/47/1138706547.db2.gz QEFKWCDEASANBD-UHFFFAOYSA-N 2 1 343.862 3.519 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCCC2)cc1 ZINC000338010543 1138723221 /nfs/dbraw/zinc/72/32/21/1138723221.db2.gz YVWDBQLNTLDMMR-DNVCBOLYSA-N 2 1 327.472 3.773 20 0 EHADMP COc1ccc(C2CCC([NH2+]CCCn3cc[nH+]c3C)CC2)cc1 ZINC000338031327 1138728143 /nfs/dbraw/zinc/72/81/43/1138728143.db2.gz SNCXIVXGSYMNFC-UHFFFAOYSA-N 2 1 327.472 3.906 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCO[C@@H]2CCCCO2)cc1 ZINC000338279838 1138813709 /nfs/dbraw/zinc/81/37/09/1138813709.db2.gz GRWIOBHVMWJAHI-OXJNMPFZSA-N 2 1 343.471 3.765 20 0 EHADMP COc1ccc([C@@H](CCC(C)C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151356358 1139026264 /nfs/dbraw/zinc/02/62/64/1139026264.db2.gz LZUBRGYTDDQYPI-OAQYLSRUSA-N 2 1 348.531 3.609 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749103 1139150022 /nfs/dbraw/zinc/15/00/22/1139150022.db2.gz JWQIPWHVEYFMNK-CLCXKQKWSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749103 1139150023 /nfs/dbraw/zinc/15/00/23/1139150023.db2.gz JWQIPWHVEYFMNK-CLCXKQKWSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299430 1139684825 /nfs/dbraw/zinc/68/48/25/1139684825.db2.gz PBKYZBIGWSJEPQ-GPMSIDNRSA-N 2 1 325.456 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299430 1139684827 /nfs/dbraw/zinc/68/48/27/1139684827.db2.gz PBKYZBIGWSJEPQ-GPMSIDNRSA-N 2 1 325.456 3.692 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H](C)C1 ZINC000178298982 1139685026 /nfs/dbraw/zinc/68/50/26/1139685026.db2.gz BDBBQUOYTUTNLH-APWZRJJASA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H](C)C1 ZINC000178298982 1139685029 /nfs/dbraw/zinc/68/50/29/1139685029.db2.gz BDBBQUOYTUTNLH-APWZRJJASA-N 2 1 325.456 3.694 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)nc(C)[nH+]1 ZINC000178615543 1139706932 /nfs/dbraw/zinc/70/69/32/1139706932.db2.gz WOWGFQAYAXRRGH-SCLBCKFNSA-N 2 1 340.471 3.568 20 0 EHADMP CCC[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075074 1139806948 /nfs/dbraw/zinc/80/69/48/1139806948.db2.gz LGFLCZGWZVDQPD-FCHUYYIVSA-N 2 1 343.559 3.672 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180107145 1139809602 /nfs/dbraw/zinc/80/96/02/1139809602.db2.gz LQIHVGUVYJXZNI-RTBURBONSA-N 2 1 336.907 3.618 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180107162 1139810397 /nfs/dbraw/zinc/81/03/97/1139810397.db2.gz LQIHVGUVYJXZNI-MOPGFXCFSA-N 2 1 336.907 3.618 20 0 EHADMP CC(C)(CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180148882 1139814166 /nfs/dbraw/zinc/81/41/66/1139814166.db2.gz BJYTWNMOWYLVBY-IHWFROFDSA-N 2 1 330.516 3.570 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCC[C@H]4OCC[C@@H]42)C3)cc1 ZINC000180157359 1139814189 /nfs/dbraw/zinc/81/41/89/1139814189.db2.gz YPKWCZGITMIAAF-AFYWYQHGSA-N 2 1 340.511 3.729 20 0 EHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccc1F ZINC000180724167 1139860068 /nfs/dbraw/zinc/86/00/68/1139860068.db2.gz GYAXRNFZOPHAIS-LJQANCHMSA-N 2 1 342.462 3.942 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000181923137 1139940201 /nfs/dbraw/zinc/94/02/01/1139940201.db2.gz KPLZUPJPWNDJKV-QGZVFWFLSA-N 2 1 339.483 3.818 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000181923117 1139940528 /nfs/dbraw/zinc/94/05/28/1139940528.db2.gz KPLZUPJPWNDJKV-KRWDZBQOSA-N 2 1 339.483 3.818 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000182430286 1139971637 /nfs/dbraw/zinc/97/16/37/1139971637.db2.gz RLEPSHKXUAVGPL-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000182430286 1139971639 /nfs/dbraw/zinc/97/16/39/1139971639.db2.gz RLEPSHKXUAVGPL-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000183128026 1140015319 /nfs/dbraw/zinc/01/53/19/1140015319.db2.gz AYCGRFPNHSLLSC-VSKRKVRLSA-N 2 1 335.495 3.514 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000183250491 1140024764 /nfs/dbraw/zinc/02/47/64/1140024764.db2.gz QJDNYJRLUGSUAV-IBGZPJMESA-N 2 1 326.488 3.503 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183553776 1140046401 /nfs/dbraw/zinc/04/64/01/1140046401.db2.gz WGXYAXXXKYHEJR-QRWLVFNGSA-N 2 1 338.430 3.741 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000187766538 1140270439 /nfs/dbraw/zinc/27/04/39/1140270439.db2.gz OCSDYYJUVALYNV-QGZVFWFLSA-N 2 1 345.556 3.970 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CCS2 ZINC000191510774 1140468934 /nfs/dbraw/zinc/46/89/34/1140468934.db2.gz DNFFISLCLVJNMI-CRAIPNDOSA-N 2 1 334.529 3.942 20 0 EHADMP Brc1csc(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266931757 1140740066 /nfs/dbraw/zinc/74/00/66/1140740066.db2.gz OUSXDORKAUYYSH-JTQLQIEISA-N 2 1 326.263 3.613 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000268756728 1140984927 /nfs/dbraw/zinc/98/49/27/1140984927.db2.gz LYIHMCMKTMZWKX-XOBRGWDASA-N 2 1 339.414 3.704 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835577 1141004436 /nfs/dbraw/zinc/00/44/36/1141004436.db2.gz RXHASIMEZNGCGP-KBPBESRZSA-N 2 1 342.405 3.763 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000268900297 1141021053 /nfs/dbraw/zinc/02/10/53/1141021053.db2.gz WLOUZIZARFPMOL-INIZCTEOSA-N 2 1 334.261 3.621 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269008683 1141045370 /nfs/dbraw/zinc/04/53/70/1141045370.db2.gz MDZSLIKCJCVEMK-YRNRMSPPSA-N 2 1 341.499 3.865 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269008683 1141045380 /nfs/dbraw/zinc/04/53/80/1141045380.db2.gz MDZSLIKCJCVEMK-YRNRMSPPSA-N 2 1 341.499 3.865 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434703 1141223064 /nfs/dbraw/zinc/22/30/64/1141223064.db2.gz JGMOTKSQCUBTKZ-WDEREUQCSA-N 2 1 328.287 3.711 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000271432392 1141366253 /nfs/dbraw/zinc/36/62/53/1141366253.db2.gz CFCKWWABXOVORF-DYEKYZERSA-N 2 1 337.920 3.811 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271438489 1141366496 /nfs/dbraw/zinc/36/64/96/1141366496.db2.gz CAFNBZBVUKLYJZ-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271438489 1141366503 /nfs/dbraw/zinc/36/65/03/1141366503.db2.gz CAFNBZBVUKLYJZ-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000271567375 1141399934 /nfs/dbraw/zinc/39/99/34/1141399934.db2.gz YCSQYDGPSHBIAQ-FQEVSTJZSA-N 2 1 346.490 3.524 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000274180784 1141483076 /nfs/dbraw/zinc/48/30/76/1141483076.db2.gz FGHQWZQNJRRVAK-NQIIRXRSSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000274180784 1141483078 /nfs/dbraw/zinc/48/30/78/1141483078.db2.gz FGHQWZQNJRRVAK-NQIIRXRSSA-N 2 1 330.516 3.693 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000274381870 1141509900 /nfs/dbraw/zinc/50/99/00/1141509900.db2.gz SWNJGMYCNXXKCN-UHFFFAOYSA-N 2 1 327.447 3.565 20 0 EHADMP CCN(C)c1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000348998307 1141620018 /nfs/dbraw/zinc/62/00/18/1141620018.db2.gz DDXJDWWVBLFRAU-UHFFFAOYSA-N 2 1 340.515 3.621 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000349142874 1141644766 /nfs/dbraw/zinc/64/47/66/1141644766.db2.gz AHPRIJBPFKARQU-UHFFFAOYSA-N 2 1 345.487 3.683 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000349142874 1141644768 /nfs/dbraw/zinc/64/47/68/1141644768.db2.gz AHPRIJBPFKARQU-UHFFFAOYSA-N 2 1 345.487 3.683 20 0 EHADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000234288388 523196250 /nfs/dbraw/zinc/19/62/50/523196250.db2.gz UHUUHWPTSFGBFY-LBPRGKRZSA-N 2 1 331.685 3.676 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(C[NH+](C)C)CC2)nc1 ZINC001165042951 721950916 /nfs/dbraw/zinc/95/09/16/721950916.db2.gz UFOMJSKUVYAFRR-FQEVSTJZSA-N 2 1 344.547 3.797 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970494 1032072139 /nfs/dbraw/zinc/07/21/39/1032072139.db2.gz XGOAMVVMTATUDT-FDDCHVKYSA-N 2 1 334.507 3.902 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970494 1032072155 /nfs/dbraw/zinc/07/21/55/1032072155.db2.gz XGOAMVVMTATUDT-FDDCHVKYSA-N 2 1 334.507 3.902 20 0 EHADMP COc1cc(F)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405637 1014259364 /nfs/dbraw/zinc/25/93/64/1014259364.db2.gz ZJGIKECVOPKBSG-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405637 1014259369 /nfs/dbraw/zinc/25/93/69/1014259369.db2.gz ZJGIKECVOPKBSG-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405637 1014259380 /nfs/dbraw/zinc/25/93/80/1014259380.db2.gz ZJGIKECVOPKBSG-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000312405637 1014259390 /nfs/dbraw/zinc/25/93/90/1014259390.db2.gz ZJGIKECVOPKBSG-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1F ZINC000643548743 1014518337 /nfs/dbraw/zinc/51/83/37/1014518337.db2.gz ULWSOHNJDXMLKC-WCQYABFASA-N 2 1 341.268 3.914 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093360 1014988539 /nfs/dbraw/zinc/98/85/39/1014988539.db2.gz QEFCOJPUWURGBF-IPYPFGDCSA-N 2 1 330.394 3.761 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093360 1014988548 /nfs/dbraw/zinc/98/85/48/1014988548.db2.gz QEFCOJPUWURGBF-IPYPFGDCSA-N 2 1 330.394 3.761 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000274763968 1015018502 /nfs/dbraw/zinc/01/85/02/1015018502.db2.gz KSGPBNTVLIXFNK-NUJGCVRESA-N 2 1 329.513 3.747 20 0 EHADMP Oc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836846 1015141879 /nfs/dbraw/zinc/14/18/79/1015141879.db2.gz YRWDWAGSVRHYNI-FQEVSTJZSA-N 2 1 336.479 3.722 20 0 EHADMP Oc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836846 1015141886 /nfs/dbraw/zinc/14/18/86/1015141886.db2.gz YRWDWAGSVRHYNI-FQEVSTJZSA-N 2 1 336.479 3.722 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC([NH2+]C(C)C)CC2)c(C)c1 ZINC000137074991 1015408995 /nfs/dbraw/zinc/40/89/95/1015408995.db2.gz FPQLOTNGRUUEEF-UHFFFAOYSA-N 2 1 345.531 3.793 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000119803127 1015460567 /nfs/dbraw/zinc/46/05/67/1015460567.db2.gz NWTJSUKZYBVCGR-AWEZNQCLSA-N 2 1 331.423 3.908 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000339682729 1015511980 /nfs/dbraw/zinc/51/19/80/1015511980.db2.gz SESWPSXLIIYXMX-AEFFLSMTSA-N 2 1 336.545 3.686 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000154518369 1015518119 /nfs/dbraw/zinc/51/81/19/1015518119.db2.gz SKICQLJANZOHHP-WIYYLYMNSA-N 2 1 329.532 3.632 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876069 1015562832 /nfs/dbraw/zinc/56/28/32/1015562832.db2.gz GPGNVOZQRRWAKA-AZUAARDMSA-N 2 1 332.532 3.675 20 0 EHADMP Fc1cc(Cl)cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000274999113 1015729766 /nfs/dbraw/zinc/72/97/66/1015729766.db2.gz NIUHHCRTIHUBFN-UHFFFAOYSA-N 2 1 348.849 3.601 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447140 1032133673 /nfs/dbraw/zinc/13/36/73/1032133673.db2.gz VZXVYFGTLZDYKS-QUCCMNQESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000459447140 1032133682 /nfs/dbraw/zinc/13/36/82/1032133682.db2.gz VZXVYFGTLZDYKS-QUCCMNQESA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447140 1032133689 /nfs/dbraw/zinc/13/36/89/1032133689.db2.gz VZXVYFGTLZDYKS-QUCCMNQESA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447143 1032134757 /nfs/dbraw/zinc/13/47/57/1032134757.db2.gz VZXVYFGTLZDYKS-UYAOXDASSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000459447143 1032134767 /nfs/dbraw/zinc/13/47/67/1032134767.db2.gz VZXVYFGTLZDYKS-UYAOXDASSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447143 1032134777 /nfs/dbraw/zinc/13/47/77/1032134777.db2.gz VZXVYFGTLZDYKS-UYAOXDASSA-N 3 1 341.543 3.504 20 0 EHADMP COCC1(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318041 1016498783 /nfs/dbraw/zinc/49/87/83/1016498783.db2.gz GTWNWMQUWMZMOE-QUCCMNQESA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318041 1016498794 /nfs/dbraw/zinc/49/87/94/1016498794.db2.gz GTWNWMQUWMZMOE-QUCCMNQESA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318041 1016498805 /nfs/dbraw/zinc/49/88/05/1016498805.db2.gz GTWNWMQUWMZMOE-QUCCMNQESA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318041 1016498815 /nfs/dbraw/zinc/49/88/15/1016498815.db2.gz GTWNWMQUWMZMOE-QUCCMNQESA-N 2 1 330.516 3.788 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000398176791 1016529870 /nfs/dbraw/zinc/52/98/70/1016529870.db2.gz VZUGOTCEHQOLJX-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000340241279 1016763845 /nfs/dbraw/zinc/76/38/45/1016763845.db2.gz NULLUNIRPSWVBZ-IEBWSBKVSA-N 2 1 335.561 3.690 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000340241279 1016763858 /nfs/dbraw/zinc/76/38/58/1016763858.db2.gz NULLUNIRPSWVBZ-IEBWSBKVSA-N 2 1 335.561 3.690 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000179102983 1016847789 /nfs/dbraw/zinc/84/77/89/1016847789.db2.gz RBKYUVIIWJSHLX-NRFANRHFSA-N 2 1 340.511 3.853 20 0 EHADMP c1cc(CNCCC[N@H+]2CCc3ccccc3C2)n(C2CCCC2)n1 ZINC000449076295 1032164535 /nfs/dbraw/zinc/16/45/35/1032164535.db2.gz XGEHYJGNODSQOU-UHFFFAOYSA-N 2 1 338.499 3.536 20 0 EHADMP c1cc(C[NH2+]CCCN2CCc3ccccc3C2)n(C2CCCC2)n1 ZINC000449076295 1032164545 /nfs/dbraw/zinc/16/45/45/1032164545.db2.gz XGEHYJGNODSQOU-UHFFFAOYSA-N 2 1 338.499 3.536 20 0 EHADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCCC2)c1F ZINC000459499016 1032197978 /nfs/dbraw/zinc/19/79/78/1032197978.db2.gz BVGNLESRWSHYCW-UHFFFAOYSA-N 2 1 334.454 3.993 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000449093464 1032198247 /nfs/dbraw/zinc/19/82/47/1032198247.db2.gz XKKSLJZKEJACCD-QWHCGFSZSA-N 2 1 349.450 3.805 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000449093464 1032198251 /nfs/dbraw/zinc/19/82/51/1032198251.db2.gz XKKSLJZKEJACCD-QWHCGFSZSA-N 2 1 349.450 3.805 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000538389233 1032335109 /nfs/dbraw/zinc/33/51/09/1032335109.db2.gz BXUPHFMYMYVMFH-SFHVURJKSA-N 2 1 333.451 3.804 20 0 EHADMP C/C(Cl)=C\C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000528495666 1032357065 /nfs/dbraw/zinc/35/70/65/1032357065.db2.gz YPHQMUUFVHPJRP-MIJQFGFMSA-N 2 1 325.909 3.572 20 0 EHADMP C/C(Cl)=C\C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000528495666 1032357075 /nfs/dbraw/zinc/35/70/75/1032357075.db2.gz YPHQMUUFVHPJRP-MIJQFGFMSA-N 2 1 325.909 3.572 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000905131131 1032358138 /nfs/dbraw/zinc/35/81/38/1032358138.db2.gz CIHXPZQGWQWURW-QWFCFKBJSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000905131131 1032358148 /nfs/dbraw/zinc/35/81/48/1032358148.db2.gz CIHXPZQGWQWURW-QWFCFKBJSA-N 2 1 344.524 3.763 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000449238222 1032372647 /nfs/dbraw/zinc/37/26/47/1032372647.db2.gz FSLCYGKHTGRDGI-INIZCTEOSA-N 2 1 344.478 3.580 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000459681298 1032410955 /nfs/dbraw/zinc/41/09/55/1032410955.db2.gz RHWNGJPAEWNZJP-ZWKOTPCHSA-N 2 1 329.513 3.973 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000459681298 1032410962 /nfs/dbraw/zinc/41/09/62/1032410962.db2.gz RHWNGJPAEWNZJP-ZWKOTPCHSA-N 2 1 329.513 3.973 20 0 EHADMP C[N@@H+](Cc1ccccc1Oc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841964 1032424717 /nfs/dbraw/zinc/42/47/17/1032424717.db2.gz VYEYRBNJQSVMGC-KRWDZBQOSA-N 2 1 325.456 3.648 20 0 EHADMP C[N@H+](Cc1ccccc1Oc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841964 1032424722 /nfs/dbraw/zinc/42/47/22/1032424722.db2.gz VYEYRBNJQSVMGC-KRWDZBQOSA-N 2 1 325.456 3.648 20 0 EHADMP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841964 1032424725 /nfs/dbraw/zinc/42/47/25/1032424725.db2.gz VYEYRBNJQSVMGC-KRWDZBQOSA-N 2 1 325.456 3.648 20 0 EHADMP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841964 1032424734 /nfs/dbraw/zinc/42/47/34/1032424734.db2.gz VYEYRBNJQSVMGC-KRWDZBQOSA-N 2 1 325.456 3.648 20 0 EHADMP CCCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459722504 1032431273 /nfs/dbraw/zinc/43/12/73/1032431273.db2.gz BOQRNAYBDMIYLO-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000459738616 1032453316 /nfs/dbraw/zinc/45/33/16/1032453316.db2.gz SAHRQDBGJLHTGM-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000449347814 1032464757 /nfs/dbraw/zinc/46/47/57/1032464757.db2.gz RTTNORIKXBOYCH-LJQANCHMSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000449347814 1032464765 /nfs/dbraw/zinc/46/47/65/1032464765.db2.gz RTTNORIKXBOYCH-LJQANCHMSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000449347814 1032464773 /nfs/dbraw/zinc/46/47/73/1032464773.db2.gz RTTNORIKXBOYCH-LJQANCHMSA-N 2 1 343.559 3.561 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459795993 1032478291 /nfs/dbraw/zinc/47/82/91/1032478291.db2.gz VTCGHIXMNYYYHG-QZTJIDSGSA-N 2 1 345.531 3.849 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000343791367 1032489933 /nfs/dbraw/zinc/48/99/33/1032489933.db2.gz MDNGOBDVLKOUCA-UHFFFAOYSA-N 2 1 330.501 3.559 20 0 EHADMP CCC[NH+]1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095501 1032509448 /nfs/dbraw/zinc/50/94/48/1032509448.db2.gz AVZWZMRURIUCPR-CTNGQTDRSA-N 3 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000537095501 1032509457 /nfs/dbraw/zinc/50/94/57/1032509457.db2.gz AVZWZMRURIUCPR-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095501 1032509463 /nfs/dbraw/zinc/50/94/63/1032509463.db2.gz AVZWZMRURIUCPR-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000449400505 1032522413 /nfs/dbraw/zinc/52/24/13/1032522413.db2.gz JAZAMYDAPKURTM-AEFFLSMTSA-N 2 1 329.513 3.878 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449486829 1032640274 /nfs/dbraw/zinc/64/02/74/1032640274.db2.gz VNZWDRMTOMLYSO-CTNGQTDRSA-N 2 1 337.511 3.965 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449486829 1032640287 /nfs/dbraw/zinc/64/02/87/1032640287.db2.gz VNZWDRMTOMLYSO-CTNGQTDRSA-N 2 1 337.511 3.965 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1)C(C)C ZINC000890883598 1017220891 /nfs/dbraw/zinc/22/08/91/1017220891.db2.gz JHVWVVUKPGGKDI-UHFFFAOYSA-N 2 1 347.547 3.577 20 0 EHADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000091412810 1032692033 /nfs/dbraw/zinc/69/20/33/1032692033.db2.gz ZISVZJJRCCCWSM-KNCCTNLNSA-N 2 1 338.854 3.526 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415021470 1017406648 /nfs/dbraw/zinc/40/66/48/1017406648.db2.gz UQUSOXQCKOTBAI-IRXDYDNUSA-N 2 1 334.467 3.673 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000655709104 1017430686 /nfs/dbraw/zinc/43/06/86/1017430686.db2.gz RIMLHILIOWJBSH-UHFFFAOYSA-N 2 1 340.515 3.699 20 0 EHADMP CC(C)c1ccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655716177 1017451382 /nfs/dbraw/zinc/45/13/82/1017451382.db2.gz QYQCTPRKSBFWCT-NRFANRHFSA-N 2 1 330.516 3.586 20 0 EHADMP c1cc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)cs1 ZINC000415036663 1017452052 /nfs/dbraw/zinc/45/20/52/1017452052.db2.gz FXFYTHMAGOEZOJ-CZUORRHYSA-N 2 1 333.526 3.836 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)cs1 ZINC000415036663 1017452061 /nfs/dbraw/zinc/45/20/61/1017452061.db2.gz FXFYTHMAGOEZOJ-CZUORRHYSA-N 2 1 333.526 3.836 20 0 EHADMP CCC(C)(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655737327 1017495086 /nfs/dbraw/zinc/49/50/86/1017495086.db2.gz LOWYTKFERHOHFJ-FQEVSTJZSA-N 2 1 330.516 3.717 20 0 EHADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415082685 1017524567 /nfs/dbraw/zinc/52/45/67/1017524567.db2.gz DQJYKQDUPMYAPG-PKOBYXMFSA-N 2 1 328.431 3.807 20 0 EHADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000415108083 1017563843 /nfs/dbraw/zinc/56/38/43/1017563843.db2.gz OQCLFHDRUHOYFT-WMLDXEAASA-N 2 1 329.419 3.633 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415112753 1017567973 /nfs/dbraw/zinc/56/79/73/1017567973.db2.gz DMJZKOCEWACMFZ-FUHWJXTLSA-N 2 1 326.488 3.616 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000580302092 1017734141 /nfs/dbraw/zinc/73/41/41/1017734141.db2.gz LRLVTCMIXLECQF-SFTDATJTSA-N 2 1 342.527 3.846 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655848513 1017766448 /nfs/dbraw/zinc/76/64/48/1017766448.db2.gz HDMJRABWJOPENE-ORYQWCPZSA-N 2 1 338.499 3.848 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)o1 ZINC000892942931 1017841984 /nfs/dbraw/zinc/84/19/84/1017841984.db2.gz BXVYQUFHDRAXFT-UHFFFAOYSA-N 2 1 328.456 3.810 20 0 EHADMP CC[NH+](CC)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340465992 1017947028 /nfs/dbraw/zinc/94/70/28/1017947028.db2.gz KDJIGSRUXVVHLX-UHFFFAOYSA-N 3 1 331.548 3.751 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000537446591 1032735154 /nfs/dbraw/zinc/73/51/54/1032735154.db2.gz UDBRDRSCVDUDGY-NQIIRXRSSA-N 2 1 347.547 3.606 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccn1 ZINC000340522871 1018208359 /nfs/dbraw/zinc/20/83/59/1018208359.db2.gz ZVASCBRWKMVTDA-CABCVRRESA-N 2 1 336.439 3.996 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043348 1032758438 /nfs/dbraw/zinc/75/84/38/1032758438.db2.gz OWJAOOGRCJVZRF-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043348 1032758451 /nfs/dbraw/zinc/75/84/51/1032758451.db2.gz OWJAOOGRCJVZRF-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043348 1032758468 /nfs/dbraw/zinc/75/84/68/1032758468.db2.gz OWJAOOGRCJVZRF-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043348 1032758481 /nfs/dbraw/zinc/75/84/81/1032758481.db2.gz OWJAOOGRCJVZRF-CJNGLKHVSA-N 2 1 333.526 3.788 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001168279761 1032808671 /nfs/dbraw/zinc/80/86/71/1032808671.db2.gz KWUWLAHYJPPVTG-VQTJNVASSA-N 2 1 328.500 3.503 20 0 EHADMP Brc1cccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089555518 1019223253 /nfs/dbraw/zinc/22/32/53/1019223253.db2.gz CIOXTZDIRQWVGE-DLBZAZTESA-N 2 1 337.305 3.598 20 0 EHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@H](n2ccnc2)C1 ZINC000729266599 1019256638 /nfs/dbraw/zinc/25/66/38/1019256638.db2.gz PQGWSJOFOCTOOV-JXFKEZNVSA-N 2 1 348.450 3.700 20 0 EHADMP Fc1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1C(F)(F)F ZINC001204734737 1019333752 /nfs/dbraw/zinc/33/37/52/1019333752.db2.gz CZBLYSJJHRWDTO-UHFFFAOYSA-N 2 1 330.369 3.810 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561248 1019514182 /nfs/dbraw/zinc/51/41/82/1019514182.db2.gz FSHCGRAASDIBLO-WKDRNLAYSA-N 2 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561248 1019514197 /nfs/dbraw/zinc/51/41/97/1019514197.db2.gz FSHCGRAASDIBLO-WKDRNLAYSA-N 3 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561248 1019514209 /nfs/dbraw/zinc/51/42/09/1019514209.db2.gz FSHCGRAASDIBLO-WKDRNLAYSA-N 3 1 343.559 3.797 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H]3CCc4c3c(F)ccc4F)CC2)[nH+]c1 ZINC000513342372 1019563892 /nfs/dbraw/zinc/56/38/92/1019563892.db2.gz FPWPJKPRVQZRKW-SFHVURJKSA-N 2 1 343.421 3.914 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000513480168 1019731050 /nfs/dbraw/zinc/73/10/50/1019731050.db2.gz XVCZWANEMOHCEQ-UWJYYQICSA-N 2 1 326.484 3.583 20 0 EHADMP COCc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487457 1019745292 /nfs/dbraw/zinc/74/52/92/1019745292.db2.gz FDGASMVVTLDWPT-HKUYNNGSSA-N 2 1 342.483 3.816 20 0 EHADMP Cc1nc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513498831 1019755309 /nfs/dbraw/zinc/75/53/09/1019755309.db2.gz CDKBCRHAIQIUIG-QAPCUYQASA-N 2 1 329.513 3.842 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647559 1019793575 /nfs/dbraw/zinc/79/35/75/1019793575.db2.gz YWTXOQLKCGRRNP-OALUTQOASA-N 2 1 328.500 3.731 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647559 1019793595 /nfs/dbraw/zinc/79/35/95/1019793595.db2.gz YWTXOQLKCGRRNP-OALUTQOASA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398320335 1020278064 /nfs/dbraw/zinc/27/80/64/1020278064.db2.gz YYOIDUSYCVHOML-JWOSDPRPSA-N 2 1 340.898 3.991 20 0 EHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398320335 1020278070 /nfs/dbraw/zinc/27/80/70/1020278070.db2.gz YYOIDUSYCVHOML-JWOSDPRPSA-N 2 1 340.898 3.991 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071246 1020401505 /nfs/dbraw/zinc/40/15/05/1020401505.db2.gz JLVKKVXRYWPQJN-HKUYNNGSSA-N 2 1 330.516 3.977 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071246 1020401511 /nfs/dbraw/zinc/40/15/11/1020401511.db2.gz JLVKKVXRYWPQJN-HKUYNNGSSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000067121831 1020603842 /nfs/dbraw/zinc/60/38/42/1020603842.db2.gz BTPYCDCKJKPDDK-LLVKDONJSA-N 2 1 343.805 3.872 20 0 EHADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430550991 1020642113 /nfs/dbraw/zinc/64/21/13/1020642113.db2.gz HIQXLFIEWKYORH-NRFANRHFSA-N 2 1 339.483 3.645 20 0 EHADMP C[N@@H+](CCCOc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029887 1020650855 /nfs/dbraw/zinc/65/08/55/1020650855.db2.gz UNEQVLRTPDONMM-UHFFFAOYSA-N 2 1 339.483 3.699 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038695 1020674557 /nfs/dbraw/zinc/67/45/57/1020674557.db2.gz YFAQFFBHWRWLGV-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038695 1020674561 /nfs/dbraw/zinc/67/45/61/1020674561.db2.gz YFAQFFBHWRWLGV-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038695 1020674570 /nfs/dbraw/zinc/67/45/70/1020674570.db2.gz YFAQFFBHWRWLGV-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038695 1020674577 /nfs/dbraw/zinc/67/45/77/1020674577.db2.gz YFAQFFBHWRWLGV-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038698 1020675019 /nfs/dbraw/zinc/67/50/19/1020675019.db2.gz YFAQFFBHWRWLGV-QFBILLFUSA-N 2 1 346.515 3.804 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038698 1020675024 /nfs/dbraw/zinc/67/50/24/1020675024.db2.gz YFAQFFBHWRWLGV-QFBILLFUSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038698 1020675032 /nfs/dbraw/zinc/67/50/32/1020675032.db2.gz YFAQFFBHWRWLGV-QFBILLFUSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000501038698 1020675036 /nfs/dbraw/zinc/67/50/36/1020675036.db2.gz YFAQFFBHWRWLGV-QFBILLFUSA-N 2 1 346.515 3.804 20 0 EHADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1)C1CCCCC1 ZINC000581423356 1020903106 /nfs/dbraw/zinc/90/31/06/1020903106.db2.gz FJPYVUJIAKAKJN-YOFSQIOKSA-N 2 1 341.499 3.578 20 0 EHADMP CC[N@@H+](Cc1c(C2CCC2)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161139 1021324414 /nfs/dbraw/zinc/32/44/14/1021324414.db2.gz SJCLXCARZILFLK-UHFFFAOYSA-N 2 1 340.515 3.771 20 0 EHADMP Cc1noc2ncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc3ccccc3)cc12 ZINC000894322748 1021326358 /nfs/dbraw/zinc/32/63/58/1021326358.db2.gz DBNNIWPUSOIHLN-HNNXBMFYSA-N 2 1 338.455 3.531 20 0 EHADMP Cc1noc2ncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc3ccccc3)cc12 ZINC000894322748 1021326374 /nfs/dbraw/zinc/32/63/74/1021326374.db2.gz DBNNIWPUSOIHLN-HNNXBMFYSA-N 2 1 338.455 3.531 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656785987 1021335393 /nfs/dbraw/zinc/33/53/93/1021335393.db2.gz OWHMHBNGIZWVNH-LJQANCHMSA-N 2 1 338.499 3.597 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1SC ZINC000656784743 1021337241 /nfs/dbraw/zinc/33/72/41/1021337241.db2.gz GTSFMQHFTJRAIJ-QGZVFWFLSA-N 2 1 334.529 3.629 20 0 EHADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786717 1021342479 /nfs/dbraw/zinc/34/24/79/1021342479.db2.gz WXFHEAOKZDMDQJ-GOSISDBHSA-N 2 1 325.456 3.553 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000684369979 1021369976 /nfs/dbraw/zinc/36/99/76/1021369976.db2.gz HCUGWCXSBWKYNF-DUXKGJEZSA-N 2 1 330.516 3.966 20 0 EHADMP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000593602411 1032981447 /nfs/dbraw/zinc/98/14/47/1032981447.db2.gz PFNOLGOVYPIQEA-CSNJMZFVSA-N 2 1 338.536 3.739 20 0 EHADMP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000593602411 1032981457 /nfs/dbraw/zinc/98/14/57/1032981457.db2.gz PFNOLGOVYPIQEA-CSNJMZFVSA-N 2 1 338.536 3.739 20 0 EHADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000593602412 1032981482 /nfs/dbraw/zinc/98/14/82/1032981482.db2.gz PFNOLGOVYPIQEA-OOKSDGMUSA-N 2 1 338.536 3.739 20 0 EHADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000593602412 1032981493 /nfs/dbraw/zinc/98/14/93/1032981493.db2.gz PFNOLGOVYPIQEA-OOKSDGMUSA-N 2 1 338.536 3.739 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1O ZINC000426402510 1021482556 /nfs/dbraw/zinc/48/25/56/1021482556.db2.gz CONWSNQRJUSWKY-ZJPYXAASSA-N 2 1 348.531 3.678 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426402507 1021483754 /nfs/dbraw/zinc/48/37/54/1021483754.db2.gz CONWSNQRJUSWKY-MHORFTMASA-N 2 1 348.531 3.678 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426402507 1021483761 /nfs/dbraw/zinc/48/37/61/1021483761.db2.gz CONWSNQRJUSWKY-MHORFTMASA-N 2 1 348.531 3.678 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)cc1O ZINC000426418592 1021531465 /nfs/dbraw/zinc/53/14/65/1021531465.db2.gz HITSUMJVYCUOEY-VQIMIIECSA-N 2 1 348.531 3.822 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@@H+]1C ZINC000593723363 1033016812 /nfs/dbraw/zinc/01/68/12/1033016812.db2.gz MNJGGCCYOQBIGE-LTDCPUDJSA-N 2 1 344.499 3.629 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@H+]1C ZINC000593723363 1033016828 /nfs/dbraw/zinc/01/68/28/1033016828.db2.gz MNJGGCCYOQBIGE-LTDCPUDJSA-N 2 1 344.499 3.629 20 0 EHADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000441034835 1021942865 /nfs/dbraw/zinc/94/28/65/1021942865.db2.gz CGOBSTLAUNNWGR-QGZVFWFLSA-N 2 1 349.950 3.891 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437579925 1021966563 /nfs/dbraw/zinc/96/65/63/1021966563.db2.gz MVBNLJUXCMTDSB-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437579925 1021966571 /nfs/dbraw/zinc/96/65/71/1021966571.db2.gz MVBNLJUXCMTDSB-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276631261 1022024421 /nfs/dbraw/zinc/02/44/21/1022024421.db2.gz JLZSORXMHJYZHO-GFCCVEGCSA-N 2 1 344.459 3.884 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441165924 1022028073 /nfs/dbraw/zinc/02/80/73/1022028073.db2.gz JTXGKIZIVIMDHT-IBGZPJMESA-N 2 1 344.499 3.560 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441165924 1022028090 /nfs/dbraw/zinc/02/80/90/1022028090.db2.gz JTXGKIZIVIMDHT-IBGZPJMESA-N 2 1 344.499 3.560 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449676443 1033023496 /nfs/dbraw/zinc/02/34/96/1033023496.db2.gz HDCQRIZEFSDWCC-QZTJIDSGSA-N 2 1 340.515 3.649 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000164968700 1022110310 /nfs/dbraw/zinc/11/03/10/1022110310.db2.gz QKHXLUIPEGJLHG-AXHNFQJDSA-N 2 1 344.528 3.889 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000164968700 1022110318 /nfs/dbraw/zinc/11/03/18/1022110318.db2.gz QKHXLUIPEGJLHG-AXHNFQJDSA-N 2 1 344.528 3.889 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(C3CC3)cc2F)[C@H](C)C1 ZINC000425914818 1022194182 /nfs/dbraw/zinc/19/41/82/1022194182.db2.gz CISUMMOBPWGQEK-IERDGZPVSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@H](C)C1 ZINC000425914818 1022194189 /nfs/dbraw/zinc/19/41/89/1022194189.db2.gz CISUMMOBPWGQEK-IERDGZPVSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@H](C)C1 ZINC000425914818 1022194197 /nfs/dbraw/zinc/19/41/97/1022194197.db2.gz CISUMMOBPWGQEK-IERDGZPVSA-N 2 1 348.506 3.930 20 0 EHADMP FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000425918417 1022202033 /nfs/dbraw/zinc/20/20/33/1022202033.db2.gz FAZHKFKSPAFMPO-GBESFXJTSA-N 2 1 334.454 3.922 20 0 EHADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517387473 1022298028 /nfs/dbraw/zinc/29/80/28/1022298028.db2.gz HHWWDHOWNFQIOU-GHTZIAJQSA-N 2 1 340.515 3.510 20 0 EHADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517387473 1022298038 /nfs/dbraw/zinc/29/80/38/1022298038.db2.gz HHWWDHOWNFQIOU-GHTZIAJQSA-N 2 1 340.515 3.510 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001167969277 1022311659 /nfs/dbraw/zinc/31/16/59/1022311659.db2.gz BAXXKCNSDPIBIY-CIQCDDJLSA-N 2 1 348.918 3.757 20 0 EHADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438210544 1022471872 /nfs/dbraw/zinc/47/18/72/1022471872.db2.gz JBDHAHAOMUQFOF-UYAOXDASSA-N 2 1 340.486 3.911 20 0 EHADMP COc1cccc2c(C[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c21 ZINC001167974393 1022509088 /nfs/dbraw/zinc/50/90/88/1022509088.db2.gz ZBAQKWXRZYYUDN-JWTNVVGKSA-N 2 1 339.483 3.687 20 0 EHADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975211 1022569910 /nfs/dbraw/zinc/56/99/10/1022569910.db2.gz MJJNXAARYIZOEJ-AYHJJNSGSA-N 2 1 326.484 3.679 20 0 EHADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975211 1022569915 /nfs/dbraw/zinc/56/99/15/1022569915.db2.gz MJJNXAARYIZOEJ-AYHJJNSGSA-N 2 1 326.484 3.679 20 0 EHADMP CC1(C)C[N@H+]([C@@H]2CCCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836099 1022689837 /nfs/dbraw/zinc/68/98/37/1022689837.db2.gz OCQZGUDMOJPQGB-RTWAWAEBSA-N 2 1 342.527 3.788 20 0 EHADMP Fc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167977859 1022741783 /nfs/dbraw/zinc/74/17/83/1022741783.db2.gz GVGDWCLSCUOVMT-IHWFROFDSA-N 2 1 328.475 3.896 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167979304 1022746361 /nfs/dbraw/zinc/74/63/61/1022746361.db2.gz ZWSMMCFQGSFJHN-LTKMZVMPSA-N 3 1 345.575 3.906 20 0 EHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167979304 1022746373 /nfs/dbraw/zinc/74/63/73/1022746373.db2.gz ZWSMMCFQGSFJHN-LTKMZVMPSA-N 3 1 345.575 3.906 20 0 EHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167979304 1022746385 /nfs/dbraw/zinc/74/63/85/1022746385.db2.gz ZWSMMCFQGSFJHN-LTKMZVMPSA-N 3 1 345.575 3.906 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167979304 1022746397 /nfs/dbraw/zinc/74/63/97/1022746397.db2.gz ZWSMMCFQGSFJHN-LTKMZVMPSA-N 2 1 345.575 3.906 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167979304 1022746405 /nfs/dbraw/zinc/74/64/05/1022746405.db2.gz ZWSMMCFQGSFJHN-LTKMZVMPSA-N 2 1 345.575 3.906 20 0 EHADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000189037853 1022955820 /nfs/dbraw/zinc/95/58/20/1022955820.db2.gz OZJQSKNKGREAFC-LLVKDONJSA-N 2 1 332.797 3.933 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000506861275 1022967243 /nfs/dbraw/zinc/96/72/43/1022967243.db2.gz KXVBHKHHSLQJNQ-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189295642 1022997162 /nfs/dbraw/zinc/99/71/62/1022997162.db2.gz YFKJHVKOJJVFGS-UHFFFAOYSA-N 2 1 336.838 3.709 20 0 EHADMP Cc1cnn(CCCCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448750 1023168756 /nfs/dbraw/zinc/16/87/56/1023168756.db2.gz UUQTXHXIFARTMN-RTWAWAEBSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448750 1023168763 /nfs/dbraw/zinc/16/87/63/1023168763.db2.gz UUQTXHXIFARTMN-RTWAWAEBSA-N 2 1 346.563 3.948 20 0 EHADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071521 1023206207 /nfs/dbraw/zinc/20/62/07/1023206207.db2.gz UXMNKSUIYCNHCR-VXGBXAGGSA-N 2 1 336.867 3.541 20 0 EHADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071521 1023206213 /nfs/dbraw/zinc/20/62/13/1023206213.db2.gz UXMNKSUIYCNHCR-VXGBXAGGSA-N 2 1 336.867 3.541 20 0 EHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414981517 1023279697 /nfs/dbraw/zinc/27/96/97/1023279697.db2.gz XXQYNSCWPUOVJT-SNVBAGLBSA-N 2 1 337.714 3.642 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000891911519 1023376642 /nfs/dbraw/zinc/37/66/42/1023376642.db2.gz WJAONGNIPPKXAM-SFHVURJKSA-N 2 1 340.471 3.605 20 0 EHADMP [NH3+]CCC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000236165789 1023435770 /nfs/dbraw/zinc/43/57/70/1023435770.db2.gz QDQJWGPWGOPGMW-UHFFFAOYSA-N 2 1 331.685 3.663 20 0 EHADMP Cc1ccccc1[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481580 1023475652 /nfs/dbraw/zinc/47/56/52/1023475652.db2.gz PGFDQHSTHKFTAK-UZKOGDIHSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(F)F ZINC000647226643 1023749488 /nfs/dbraw/zinc/74/94/88/1023749488.db2.gz PUOJDQQFXUUPJI-AWEZNQCLSA-N 2 1 328.422 3.714 20 0 EHADMP Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000458274953 1023846118 /nfs/dbraw/zinc/84/61/18/1023846118.db2.gz XXWARCFHOLEFJH-HXUWFJFHSA-N 2 1 343.515 3.792 20 0 EHADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000648068269 1024018246 /nfs/dbraw/zinc/01/82/46/1024018246.db2.gz NYFKQERVBACSST-ZNLUXHQJSA-N 2 1 338.495 3.648 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000514087962 1024122187 /nfs/dbraw/zinc/12/21/87/1024122187.db2.gz JLYXGUHZBQMHNY-RDJZCZTQSA-N 2 1 334.504 3.927 20 0 EHADMP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000395279301 1024200968 /nfs/dbraw/zinc/20/09/68/1024200968.db2.gz GOYSQICEUDGYPO-JOCHJYFZSA-N 2 1 338.495 3.802 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688622 1024298292 /nfs/dbraw/zinc/29/82/92/1024298292.db2.gz OCOMEGRDNZCBMZ-UHFFFAOYSA-N 2 1 347.503 3.522 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000280833098 1024320525 /nfs/dbraw/zinc/32/05/25/1024320525.db2.gz LGMUKPZJAFBTOV-ZIAGYGMSSA-N 2 1 337.389 3.685 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024455 1024330660 /nfs/dbraw/zinc/33/06/60/1024330660.db2.gz GVPVKZKAHAKYOP-HGKCTWBKSA-N 2 1 327.447 3.752 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024455 1024330674 /nfs/dbraw/zinc/33/06/74/1024330674.db2.gz GVPVKZKAHAKYOP-HGKCTWBKSA-N 2 1 327.447 3.752 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414855010 1024437867 /nfs/dbraw/zinc/43/78/67/1024437867.db2.gz MQQCSGGLZOOWTN-GHMZBOCLSA-N 2 1 331.685 3.580 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000474154894 1024450805 /nfs/dbraw/zinc/45/08/05/1024450805.db2.gz AQVCUHCWIPGINP-MRXNPFEDSA-N 2 1 347.890 3.825 20 0 EHADMP c1coc(C[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@@H]2CCCO2)c1 ZINC000346210421 1024500701 /nfs/dbraw/zinc/50/07/01/1024500701.db2.gz OKCMDRWFAHWVGP-KRWDZBQOSA-N 2 1 343.452 3.708 20 0 EHADMP c1coc(CN(Cc2cc(-n3ccnc3)cs2)C[C@@H]2CCCO2)c1 ZINC000346210421 1024500707 /nfs/dbraw/zinc/50/07/07/1024500707.db2.gz OKCMDRWFAHWVGP-KRWDZBQOSA-N 2 1 343.452 3.708 20 0 EHADMP CC(C)N1CCc2nc(C[N@H+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763353 1033215448 /nfs/dbraw/zinc/21/54/48/1033215448.db2.gz QZHYSRDQZVYGCA-UIVXKWKOSA-N 2 1 345.556 3.778 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763353 1033215459 /nfs/dbraw/zinc/21/54/59/1033215459.db2.gz QZHYSRDQZVYGCA-UIVXKWKOSA-N 2 1 345.556 3.778 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763353 1033215472 /nfs/dbraw/zinc/21/54/72/1033215472.db2.gz QZHYSRDQZVYGCA-UIVXKWKOSA-N 2 1 345.556 3.778 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)sc2C1 ZINC000449763353 1033215480 /nfs/dbraw/zinc/21/54/80/1033215480.db2.gz QZHYSRDQZVYGCA-UIVXKWKOSA-N 2 1 345.556 3.778 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN3CCCC[C@H]23)CC1 ZINC000280980580 1024519585 /nfs/dbraw/zinc/51/95/85/1024519585.db2.gz LGHFELGNEORMHE-QZNJRLLKSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000280980580 1024519594 /nfs/dbraw/zinc/51/95/94/1024519594.db2.gz LGHFELGNEORMHE-QZNJRLLKSA-N 3 1 341.543 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000280980580 1024519603 /nfs/dbraw/zinc/51/96/03/1024519603.db2.gz LGHFELGNEORMHE-QZNJRLLKSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000280980580 1024519619 /nfs/dbraw/zinc/51/96/19/1024519619.db2.gz LGHFELGNEORMHE-QZNJRLLKSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000280980580 1024519629 /nfs/dbraw/zinc/51/96/29/1024519629.db2.gz LGHFELGNEORMHE-QZNJRLLKSA-N 3 1 341.543 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000280982057 1024523082 /nfs/dbraw/zinc/52/30/82/1024523082.db2.gz LGHFELGNEORMHE-XABBQPORSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000280982057 1024523089 /nfs/dbraw/zinc/52/30/89/1024523089.db2.gz LGHFELGNEORMHE-XABBQPORSA-N 3 1 341.543 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000280982057 1024523104 /nfs/dbraw/zinc/52/31/04/1024523104.db2.gz LGHFELGNEORMHE-XABBQPORSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000280982057 1024523117 /nfs/dbraw/zinc/52/31/17/1024523117.db2.gz LGHFELGNEORMHE-XABBQPORSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000280982057 1024523124 /nfs/dbraw/zinc/52/31/24/1024523124.db2.gz LGHFELGNEORMHE-XABBQPORSA-N 3 1 341.543 3.646 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000346232855 1024546051 /nfs/dbraw/zinc/54/60/51/1024546051.db2.gz YXEHHZVPZHYVMA-OAQYLSRUSA-N 2 1 332.451 3.739 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657286457 1024566842 /nfs/dbraw/zinc/56/68/42/1024566842.db2.gz XJKZBJGYEVHCIU-UHFFFAOYSA-N 2 1 331.435 3.690 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000487439191 1024604133 /nfs/dbraw/zinc/60/41/33/1024604133.db2.gz MNSSMNRVPRAGRC-WOJBJXKFSA-N 2 1 345.531 3.521 20 0 EHADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)C(C)(C)C)c(OC)c1 ZINC000346310627 1024635710 /nfs/dbraw/zinc/63/57/10/1024635710.db2.gz MYRRCTNVRHDCMD-UHFFFAOYSA-N 2 1 331.460 3.509 20 0 EHADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)C(C)(C)C)c(OC)c1 ZINC000346310627 1024635716 /nfs/dbraw/zinc/63/57/16/1024635716.db2.gz MYRRCTNVRHDCMD-UHFFFAOYSA-N 2 1 331.460 3.509 20 0 EHADMP CC1(C)CC([NH2+]Cc2cccc(F)c2OC(F)F)CC(C)(C)[NH2+]1 ZINC000657292607 1024650808 /nfs/dbraw/zinc/65/08/08/1024650808.db2.gz OHSCLTXTFQNWAP-UHFFFAOYSA-N 2 1 330.394 3.826 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281100051 1024655525 /nfs/dbraw/zinc/65/55/25/1024655525.db2.gz VTUNVJDSIYFXOV-KKXNLOMOSA-N 2 1 332.532 3.816 20 0 EHADMP Cc1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000474268000 1024670286 /nfs/dbraw/zinc/67/02/86/1024670286.db2.gz RCXKXOKDNQWRBK-OAQYLSRUSA-N 2 1 329.532 3.911 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccccc1Br ZINC000342292936 1024738313 /nfs/dbraw/zinc/73/83/13/1024738313.db2.gz SKHWVDFAZNDLBA-UHFFFAOYSA-N 2 1 336.277 3.869 20 0 EHADMP CC(C)n1cncc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000425323268 1024763296 /nfs/dbraw/zinc/76/32/96/1024763296.db2.gz ITXBMAOIUOKFPS-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP Fc1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cccc1OC1CC1 ZINC000665244445 1024806690 /nfs/dbraw/zinc/80/66/90/1024806690.db2.gz NGIYEXNCQWKXCG-KZNAEPCWSA-N 2 1 332.463 3.767 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281349055 1024926262 /nfs/dbraw/zinc/92/62/62/1024926262.db2.gz VEAMXGMLCIZNMT-LZQZEXGQSA-N 2 1 326.488 3.847 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000115611855 1024945855 /nfs/dbraw/zinc/94/58/55/1024945855.db2.gz FMXRFNITEVYINV-HNNXBMFYSA-N 2 1 328.431 3.968 20 0 EHADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000115611855 1024945869 /nfs/dbraw/zinc/94/58/69/1024945869.db2.gz FMXRFNITEVYINV-HNNXBMFYSA-N 2 1 328.431 3.968 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000157540337 1024946160 /nfs/dbraw/zinc/94/61/60/1024946160.db2.gz CZRORFACOOESAW-UPCLLVRISA-N 2 1 348.556 3.872 20 0 EHADMP Cc1ccccc1-n1nccc1CNCCC[N@@H+]1CCCC[C@H]1C ZINC000474465861 1025008967 /nfs/dbraw/zinc/00/89/67/1025008967.db2.gz ACMDXHXYKYDYFR-GOSISDBHSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000474465861 1025008975 /nfs/dbraw/zinc/00/89/75/1025008975.db2.gz ACMDXHXYKYDYFR-GOSISDBHSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000474465861 1025008984 /nfs/dbraw/zinc/00/89/84/1025008984.db2.gz ACMDXHXYKYDYFR-GOSISDBHSA-N 2 1 326.488 3.535 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346689731 1025018009 /nfs/dbraw/zinc/01/80/09/1025018009.db2.gz SMVYSBVLYGMSKA-NVXWUHKLSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435617706 1025036163 /nfs/dbraw/zinc/03/61/63/1025036163.db2.gz NZTIHRAOROGIJF-GIVPXCGWSA-N 2 1 345.531 3.621 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435617706 1025036173 /nfs/dbraw/zinc/03/61/73/1025036173.db2.gz NZTIHRAOROGIJF-GIVPXCGWSA-N 2 1 345.531 3.621 20 0 EHADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000897964324 1033260795 /nfs/dbraw/zinc/26/07/95/1033260795.db2.gz CDKJPYFKUBKAAE-MQGJPIDWSA-N 2 1 335.495 3.655 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276377 1025224056 /nfs/dbraw/zinc/22/40/56/1025224056.db2.gz BCSXQQFSLSXMHN-NJDAHSKKSA-N 2 1 341.543 3.538 20 0 EHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Oc1cccnc1 ZINC000346854831 1025243588 /nfs/dbraw/zinc/24/35/88/1025243588.db2.gz UOBFYLXDGDHCNO-YSIASYRMSA-N 2 1 337.467 3.742 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000892186223 1025277854 /nfs/dbraw/zinc/27/78/54/1025277854.db2.gz RHGIICULZKTDHV-KRWDZBQOSA-N 2 1 330.520 3.695 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000892186223 1025277864 /nfs/dbraw/zinc/27/78/64/1025277864.db2.gz RHGIICULZKTDHV-KRWDZBQOSA-N 2 1 330.520 3.695 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000436058239 1025335672 /nfs/dbraw/zinc/33/56/72/1025335672.db2.gz XWSHGDHWDCYUSJ-APWZRJJASA-N 2 1 341.524 3.941 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000436058239 1025335683 /nfs/dbraw/zinc/33/56/83/1025335683.db2.gz XWSHGDHWDCYUSJ-APWZRJJASA-N 2 1 341.524 3.941 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000453313228 1025337380 /nfs/dbraw/zinc/33/73/80/1025337380.db2.gz HWXYRGKOWXFIPU-HOJAQTOUSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000453313228 1025337392 /nfs/dbraw/zinc/33/73/92/1025337392.db2.gz HWXYRGKOWXFIPU-HOJAQTOUSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000281705125 1025395563 /nfs/dbraw/zinc/39/55/63/1025395563.db2.gz OBMJFNJDORGCBL-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000281705125 1025395578 /nfs/dbraw/zinc/39/55/78/1025395578.db2.gz OBMJFNJDORGCBL-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(COC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041303 1025401902 /nfs/dbraw/zinc/40/19/02/1025401902.db2.gz RVWRESJTJPSBJA-OPVJXMOQSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(COC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041303 1025401905 /nfs/dbraw/zinc/40/19/05/1025401905.db2.gz RVWRESJTJPSBJA-OPVJXMOQSA-N 2 1 328.500 3.540 20 0 EHADMP COCc1csc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000657354998 1025425911 /nfs/dbraw/zinc/42/59/11/1025425911.db2.gz YIXREGGOECRJGA-GOSISDBHSA-N 2 1 344.524 3.549 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347024999 1025430612 /nfs/dbraw/zinc/43/06/12/1025430612.db2.gz RVAGHOKIDAVDSH-JWTNVVGKSA-N 2 1 332.488 3.589 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347024999 1025430623 /nfs/dbraw/zinc/43/06/23/1025430623.db2.gz RVAGHOKIDAVDSH-JWTNVVGKSA-N 2 1 332.488 3.589 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044429 1025460757 /nfs/dbraw/zinc/46/07/57/1025460757.db2.gz FJGAAKJTYUOTTG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044429 1025460763 /nfs/dbraw/zinc/46/07/63/1025460763.db2.gz FJGAAKJTYUOTTG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044429 1025460773 /nfs/dbraw/zinc/46/07/73/1025460773.db2.gz FJGAAKJTYUOTTG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044429 1025460783 /nfs/dbraw/zinc/46/07/83/1025460783.db2.gz FJGAAKJTYUOTTG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474803837 1025503377 /nfs/dbraw/zinc/50/33/77/1025503377.db2.gz HVMQSRCWLFYBDP-WJMWBRGCSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474803837 1025503389 /nfs/dbraw/zinc/50/33/89/1025503389.db2.gz HVMQSRCWLFYBDP-WJMWBRGCSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000442874335 1025547758 /nfs/dbraw/zinc/54/77/58/1025547758.db2.gz MSYVZSBDLJYVJY-CQSZACIVSA-N 2 1 349.906 3.763 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297011 1025560887 /nfs/dbraw/zinc/56/08/87/1025560887.db2.gz LMGZLNZAAXPNFP-CSFVBSKPSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297011 1025560896 /nfs/dbraw/zinc/56/08/96/1025560896.db2.gz LMGZLNZAAXPNFP-CSFVBSKPSA-N 2 1 326.406 3.881 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000443061715 1025678229 /nfs/dbraw/zinc/67/82/29/1025678229.db2.gz SKVOEZZZFVHQPI-HNNXBMFYSA-N 2 1 349.931 3.948 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1OCc1ccccc1 ZINC000530355275 1025697602 /nfs/dbraw/zinc/69/76/02/1025697602.db2.gz VRYHIWWTONIPNQ-KRWDZBQOSA-N 2 1 335.451 3.892 20 0 EHADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104484 1025715491 /nfs/dbraw/zinc/71/54/91/1025715491.db2.gz DPXLDDOVVYDOBA-VQTJNVASSA-N 2 1 344.524 3.816 20 0 EHADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104484 1025715498 /nfs/dbraw/zinc/71/54/98/1025715498.db2.gz DPXLDDOVVYDOBA-VQTJNVASSA-N 2 1 344.524 3.816 20 0 EHADMP c1ccc(COc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)cc1 ZINC000261935316 1025715923 /nfs/dbraw/zinc/71/59/23/1025715923.db2.gz DEPRBZZCOXMGTE-UHFFFAOYSA-N 2 1 336.479 3.841 20 0 EHADMP CC(C)n1nccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880715 1025735683 /nfs/dbraw/zinc/73/56/83/1025735683.db2.gz TYFKMPDJPGZAQT-QUCCMNQESA-N 2 1 340.515 3.854 20 0 EHADMP CC[NH+]1CCC(N(C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050924 1025736943 /nfs/dbraw/zinc/73/69/43/1025736943.db2.gz DGDRWQCMQUOXGD-HATOLVCRSA-N 2 1 343.559 3.844 20 0 EHADMP CC[N@H+](C1CCOCC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168051028 1025754960 /nfs/dbraw/zinc/75/49/60/1025754960.db2.gz FJSZNOCKWIHTBL-QZTJIDSGSA-N 2 1 330.516 3.929 20 0 EHADMP CC[N@@H+](C1CCOCC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168051028 1025754978 /nfs/dbraw/zinc/75/49/78/1025754978.db2.gz FJSZNOCKWIHTBL-QZTJIDSGSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3CCO[C@@H](C)C3)C[C@@H]21 ZINC001168128906 1025767798 /nfs/dbraw/zinc/76/77/98/1025767798.db2.gz UVFQIOYLZWPTET-NHUSPQTBSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@H]3CCO[C@@H](C)C3)C[C@@H]21 ZINC001168128906 1025767812 /nfs/dbraw/zinc/76/78/12/1025767812.db2.gz UVFQIOYLZWPTET-NHUSPQTBSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CCO[C@@H](C)C3)C[C@@H]21 ZINC001168128906 1025767825 /nfs/dbraw/zinc/76/78/25/1025767825.db2.gz UVFQIOYLZWPTET-NHUSPQTBSA-N 2 1 328.500 3.664 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000657396600 1025922487 /nfs/dbraw/zinc/92/24/87/1025922487.db2.gz NWMPQKFACRNMFI-HNNXBMFYSA-N 2 1 335.455 3.638 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000611587858 1025932641 /nfs/dbraw/zinc/93/26/41/1025932641.db2.gz WZDZZPYKDVWNJS-UHZRXMQZSA-N 2 1 330.541 3.771 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCCC[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054394 1026070022 /nfs/dbraw/zinc/07/00/22/1026070022.db2.gz RCJFBEYCLJLMHC-MXNKGDRCSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1CC(N2CC[N@H+]3CCCC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054401 1026072543 /nfs/dbraw/zinc/07/25/43/1026072543.db2.gz RCJFBEYCLJLMHC-SFHLNBCPSA-N 2 1 341.543 3.598 20 0 EHADMP CC(C)n1ccnc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657415270 1026108318 /nfs/dbraw/zinc/10/83/18/1026108318.db2.gz HFEAHZIEYQXJSY-QUCCMNQESA-N 2 1 340.515 3.854 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451572138 1026122723 /nfs/dbraw/zinc/12/27/23/1026122723.db2.gz RWIAFQHVGGASQX-MRXNPFEDSA-N 2 1 348.288 3.834 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451572138 1026122731 /nfs/dbraw/zinc/12/27/31/1026122731.db2.gz RWIAFQHVGGASQX-MRXNPFEDSA-N 2 1 348.288 3.834 20 0 EHADMP Clc1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655707776 1026250832 /nfs/dbraw/zinc/25/08/32/1026250832.db2.gz CPUXPCRHRWOVNW-LJQANCHMSA-N 2 1 348.918 3.605 20 0 EHADMP C[C@@H]1C[C@@H](N2CCc3ncsc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059689 1026387921 /nfs/dbraw/zinc/38/79/21/1026387921.db2.gz GKUDBSIBCRNQOB-ALXJQNPVSA-N 2 1 341.524 3.943 20 0 EHADMP CC[N@H+](CCn1ccnc1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060238 1026415903 /nfs/dbraw/zinc/41/59/03/1026415903.db2.gz VZOOPNWYJYXYLU-CEQLMSFQSA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@@H+](CCn1ccnc1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060238 1026415908 /nfs/dbraw/zinc/41/59/08/1026415908.db2.gz VZOOPNWYJYXYLU-CEQLMSFQSA-N 2 1 340.515 3.647 20 0 EHADMP CC[NH+](CCn1ccnc1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060238 1026415911 /nfs/dbraw/zinc/41/59/11/1026415911.db2.gz VZOOPNWYJYXYLU-CEQLMSFQSA-N 2 1 340.515 3.647 20 0 EHADMP CC[NH+](CCn1ccnc1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060238 1026415915 /nfs/dbraw/zinc/41/59/15/1026415915.db2.gz VZOOPNWYJYXYLU-CEQLMSFQSA-N 2 1 340.515 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)cc1 ZINC000475263614 1026423803 /nfs/dbraw/zinc/42/38/03/1026423803.db2.gz CMKSFFDNNVYLSW-CIAFKFPVSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000475278356 1026428257 /nfs/dbraw/zinc/42/82/57/1026428257.db2.gz VJGBWMFPEZUJDA-GHTZIAJQSA-N 2 1 330.516 3.551 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnccn1 ZINC000159015081 1026453466 /nfs/dbraw/zinc/45/34/66/1026453466.db2.gz YHXOLZXMRRKOLN-KURKYZTESA-N 2 1 338.499 3.805 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620373 1026477953 /nfs/dbraw/zinc/47/79/53/1026477953.db2.gz WVUOULXHTMRRQL-MJGOQNOKSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620373 1026477956 /nfs/dbraw/zinc/47/79/56/1026477956.db2.gz WVUOULXHTMRRQL-MJGOQNOKSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620373 1026477960 /nfs/dbraw/zinc/47/79/60/1026477960.db2.gz WVUOULXHTMRRQL-MJGOQNOKSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620373 1026477963 /nfs/dbraw/zinc/47/79/63/1026477963.db2.gz WVUOULXHTMRRQL-MJGOQNOKSA-N 2 1 340.515 3.660 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)C2CCCCC2)CC1)CC1CC1 ZINC000475334842 1026489093 /nfs/dbraw/zinc/48/90/93/1026489093.db2.gz VVPCMNKSGXILMC-NRFANRHFSA-N 2 1 336.564 3.762 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182633571 1026538116 /nfs/dbraw/zinc/53/81/16/1026538116.db2.gz GDMCNGWGQWMSOF-UHFFFAOYSA-N 2 1 349.522 3.620 20 0 EHADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922163 1026639545 /nfs/dbraw/zinc/63/95/45/1026639545.db2.gz OBFNNYHKYCYEBI-QGZVFWFLSA-N 2 1 346.421 3.900 20 0 EHADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192922163 1026639551 /nfs/dbraw/zinc/63/95/51/1026639551.db2.gz OBFNNYHKYCYEBI-QGZVFWFLSA-N 2 1 346.421 3.900 20 0 EHADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000122798247 1026733914 /nfs/dbraw/zinc/73/39/14/1026733914.db2.gz GWBJXHBVOBILDJ-GOSISDBHSA-N 2 1 341.524 3.867 20 0 EHADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000122798247 1026733924 /nfs/dbraw/zinc/73/39/24/1026733924.db2.gz GWBJXHBVOBILDJ-GOSISDBHSA-N 2 1 341.524 3.867 20 0 EHADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301246361 1026737154 /nfs/dbraw/zinc/73/71/54/1026737154.db2.gz LGPASIACIKJZPZ-ZDUSSCGKSA-N 2 1 334.261 3.528 20 0 EHADMP CC(C)[C@@H](CNc1cc[nH+]c2ccc(Cl)cc12)[NH+]1CCN(C)CC1 ZINC000301372298 1026781184 /nfs/dbraw/zinc/78/11/84/1026781184.db2.gz PZIDFDNPXBDXOK-LJQANCHMSA-N 2 1 346.906 3.572 20 0 EHADMP COc1ccc(C[NH+]2CCC(CNc3cc(C)cc[nH+]3)CC2)cc1 ZINC000301634734 1026883719 /nfs/dbraw/zinc/88/37/19/1026883719.db2.gz KKMNTWVNNAYRNE-UHFFFAOYSA-N 2 1 325.456 3.723 20 0 EHADMP CCCc1cc(N2CC[NH+](Cc3cccnc3)CC2)c2ccccc2[nH+]1 ZINC000301790538 1026940433 /nfs/dbraw/zinc/94/04/33/1026940433.db2.gz NDXQZYZWSHFVPX-UHFFFAOYSA-N 2 1 346.478 3.905 20 0 EHADMP Cc1nc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000563441972 1026987175 /nfs/dbraw/zinc/98/71/75/1026987175.db2.gz VFWSPXCHQNCGIO-OAHLLOKOSA-N 2 1 326.488 3.548 20 0 EHADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)([NH+](C)C)C1 ZINC000582706045 1027007770 /nfs/dbraw/zinc/00/77/70/1027007770.db2.gz WRNYUOHIEQCKED-LXZJYRNTSA-N 2 1 332.536 3.546 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000075007660 1027095667 /nfs/dbraw/zinc/09/56/67/1027095667.db2.gz BKGHXTNNEVAPNG-OAHLLOKOSA-N 2 1 340.458 3.849 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694974 1027214443 /nfs/dbraw/zinc/21/44/43/1027214443.db2.gz UKOWRVGIRWXDEV-KNKQGSTJSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694974 1027214450 /nfs/dbraw/zinc/21/44/50/1027214450.db2.gz UKOWRVGIRWXDEV-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694974 1027214456 /nfs/dbraw/zinc/21/44/56/1027214456.db2.gz UKOWRVGIRWXDEV-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694974 1027214466 /nfs/dbraw/zinc/21/44/66/1027214466.db2.gz UKOWRVGIRWXDEV-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000513713300 1027252936 /nfs/dbraw/zinc/25/29/36/1027252936.db2.gz NGCDJNMBBKILGB-YESZJQIVSA-N 2 1 342.405 3.547 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453085572 1027344434 /nfs/dbraw/zinc/34/44/34/1027344434.db2.gz OMCSLZTYSUCDMT-KRWDZBQOSA-N 2 1 340.515 3.858 20 0 EHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1nc(C(F)(F)F)cs1 ZINC000273283520 1027354566 /nfs/dbraw/zinc/35/45/66/1027354566.db2.gz LJRZRMOLNYYUMS-LLVKDONJSA-N 2 1 332.395 3.798 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000453094446 1027355114 /nfs/dbraw/zinc/35/51/14/1027355114.db2.gz RYABVFMSBGXLNI-INIZCTEOSA-N 2 1 330.497 3.740 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000453125214 1027405658 /nfs/dbraw/zinc/40/56/58/1027405658.db2.gz OFTXYGNLOZWRFQ-ZIFCJYIRSA-N 2 1 346.544 3.642 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000453125214 1027405668 /nfs/dbraw/zinc/40/56/68/1027405668.db2.gz OFTXYGNLOZWRFQ-ZIFCJYIRSA-N 2 1 346.544 3.642 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C12CCC2 ZINC000453131660 1027435626 /nfs/dbraw/zinc/43/56/26/1027435626.db2.gz PIPLLWUOMJIJPK-MDASCCDHSA-N 2 1 325.456 3.789 20 0 EHADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000420299132 1027449527 /nfs/dbraw/zinc/44/95/27/1027449527.db2.gz GJDHLMTXQYPPIV-YJBOKZPZSA-N 2 1 328.456 3.526 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1 ZINC000420298484 1027450469 /nfs/dbraw/zinc/45/04/69/1027450469.db2.gz HFMZZKKDLSWMOD-DZGCQCFKSA-N 2 1 346.421 3.635 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1 ZINC000420298484 1027450478 /nfs/dbraw/zinc/45/04/78/1027450478.db2.gz HFMZZKKDLSWMOD-DZGCQCFKSA-N 2 1 346.421 3.635 20 0 EHADMP FC(F)(F)CCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420304303 1027452297 /nfs/dbraw/zinc/45/22/97/1027452297.db2.gz DZLGZMJNKQBOQG-MRXNPFEDSA-N 2 1 329.410 3.758 20 0 EHADMP CCn1ccnc1C[N@@H+](CCCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000420306518 1027454219 /nfs/dbraw/zinc/45/42/19/1027454219.db2.gz HRLQFBXUHBVQQJ-QGZVFWFLSA-N 2 1 332.536 3.673 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273512117 1027466936 /nfs/dbraw/zinc/46/69/36/1027466936.db2.gz OQIZAYUVCJNEDN-OALUTQOASA-N 2 1 331.435 3.573 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273512117 1027466941 /nfs/dbraw/zinc/46/69/41/1027466941.db2.gz OQIZAYUVCJNEDN-OALUTQOASA-N 2 1 331.435 3.573 20 0 EHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337792 1027469701 /nfs/dbraw/zinc/46/97/01/1027469701.db2.gz XAZDTIMFTVHCTC-OLZOCXBDSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337792 1027469706 /nfs/dbraw/zinc/46/97/06/1027469706.db2.gz XAZDTIMFTVHCTC-OLZOCXBDSA-N 2 1 343.298 3.742 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCSCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453160516 1027473115 /nfs/dbraw/zinc/47/31/15/1027473115.db2.gz OZCSQXJQCMVZQW-UFYCRDLUSA-N 2 1 330.541 3.915 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420345014 1027475643 /nfs/dbraw/zinc/47/56/43/1027475643.db2.gz VOMAXMKKTZHESV-CVEARBPZSA-N 2 1 345.874 3.817 20 0 EHADMP Fc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000420331629 1027482768 /nfs/dbraw/zinc/48/27/68/1027482768.db2.gz FKNAATMEOFDGOZ-SFHVURJKSA-N 2 1 345.487 3.913 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453182945 1027502723 /nfs/dbraw/zinc/50/27/23/1027502723.db2.gz TYTDPWGEQMADEJ-GOSISDBHSA-N 2 1 349.316 3.622 20 0 EHADMP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657597257 1027559774 /nfs/dbraw/zinc/55/97/74/1027559774.db2.gz RJOXRUQMNQZYCP-FQEVSTJZSA-N 2 1 344.886 3.505 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000639757030 1027646048 /nfs/dbraw/zinc/64/60/48/1027646048.db2.gz CGTHYJSPMHLPMR-UHFFFAOYSA-N 2 1 329.875 3.806 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414654822 1027713788 /nfs/dbraw/zinc/71/37/88/1027713788.db2.gz CPIAPRKVCZGRNL-IRXDYDNUSA-N 2 1 340.515 3.647 20 0 EHADMP Cc1nc(COc2ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc2)cs1 ZINC000414657312 1027723458 /nfs/dbraw/zinc/72/34/58/1027723458.db2.gz HNNNALVDDPYKQP-LJQANCHMSA-N 2 1 347.528 3.836 20 0 EHADMP C[N@@H+](Cc1cccc(OCCCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000414660279 1027738920 /nfs/dbraw/zinc/73/89/20/1027738920.db2.gz VGGVJANZZOULND-UHFFFAOYSA-N 2 1 338.495 3.882 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414671584 1027806491 /nfs/dbraw/zinc/80/64/91/1027806491.db2.gz MJEXAXODCHAFNT-HNNXBMFYSA-N 2 1 332.394 3.798 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414671584 1027806515 /nfs/dbraw/zinc/80/65/15/1027806515.db2.gz MJEXAXODCHAFNT-HNNXBMFYSA-N 2 1 332.394 3.798 20 0 EHADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533409013 1027820559 /nfs/dbraw/zinc/82/05/59/1027820559.db2.gz OTTMYGJQICEJMU-UHFFFAOYSA-N 2 1 346.494 3.748 20 0 EHADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533409013 1027820576 /nfs/dbraw/zinc/82/05/76/1027820576.db2.gz OTTMYGJQICEJMU-UHFFFAOYSA-N 2 1 346.494 3.748 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]3C3CC3)sc2C1 ZINC000414479315 1027880928 /nfs/dbraw/zinc/88/09/28/1027880928.db2.gz HHVAPBPGDGHLPM-CVEARBPZSA-N 2 1 333.545 3.826 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]3C3CC3)sc2C1 ZINC000414479315 1027880938 /nfs/dbraw/zinc/88/09/38/1027880938.db2.gz HHVAPBPGDGHLPM-CVEARBPZSA-N 2 1 333.545 3.826 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000339071855 1027888557 /nfs/dbraw/zinc/88/85/57/1027888557.db2.gz SVGJSYPKPWOBKI-VXKWHMMOSA-N 3 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000339071855 1027888576 /nfs/dbraw/zinc/88/85/76/1027888576.db2.gz SVGJSYPKPWOBKI-VXKWHMMOSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000339071855 1027888599 /nfs/dbraw/zinc/88/85/99/1027888599.db2.gz SVGJSYPKPWOBKI-VXKWHMMOSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@H](NC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCCC1)c1ccccc1 ZINC000422760340 1027901502 /nfs/dbraw/zinc/90/15/02/1027901502.db2.gz KWNNWCVRRZQWFZ-HBFSDRIKSA-N 2 1 329.532 3.628 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000422745263 1027914370 /nfs/dbraw/zinc/91/43/70/1027914370.db2.gz LSGSLMIPZUBMSI-OKZBNKHCSA-N 2 1 335.561 3.771 20 0 EHADMP CCN(CC)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000422748315 1027917515 /nfs/dbraw/zinc/91/75/15/1027917515.db2.gz UAFHOUHXLKPUNF-KUHUBIRLSA-N 2 1 346.906 3.881 20 0 EHADMP C[C@H]([NH2+]C1CC1)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000414487269 1027973508 /nfs/dbraw/zinc/97/35/08/1027973508.db2.gz VFDGQEMHSNELGO-AWEZNQCLSA-N 2 1 326.444 3.536 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655724439 1027978835 /nfs/dbraw/zinc/97/88/35/1027978835.db2.gz YCPGGICSJYJRPK-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655724439 1027978857 /nfs/dbraw/zinc/97/88/57/1027978857.db2.gz YCPGGICSJYJRPK-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000422897780 1028034912 /nfs/dbraw/zinc/03/49/12/1028034912.db2.gz CUFHYKOLSNZFQO-RBUKOAKNSA-N 2 1 336.414 3.554 20 0 EHADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422901832 1028036251 /nfs/dbraw/zinc/03/62/51/1028036251.db2.gz SJMDGQFBHHDOFR-DENIHFKCSA-N 2 1 343.559 3.860 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422914646 1028049578 /nfs/dbraw/zinc/04/95/78/1028049578.db2.gz VHXDHOCKNIPJKX-FDFHNCONSA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422914646 1028049594 /nfs/dbraw/zinc/04/95/94/1028049594.db2.gz VHXDHOCKNIPJKX-FDFHNCONSA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422914646 1028049613 /nfs/dbraw/zinc/04/96/13/1028049613.db2.gz VHXDHOCKNIPJKX-FDFHNCONSA-N 2 1 343.559 3.927 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]1 ZINC000414703411 1028053529 /nfs/dbraw/zinc/05/35/29/1028053529.db2.gz JRHAOMVIAFXLKN-OWCLPIDISA-N 2 1 333.545 3.589 20 0 EHADMP C[C@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000423021037 1028130368 /nfs/dbraw/zinc/13/03/68/1028130368.db2.gz BAIKTRBQCPLKEL-NSHDSACASA-N 2 1 340.254 3.668 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000582885873 1028132181 /nfs/dbraw/zinc/13/21/81/1028132181.db2.gz IAEIWTXZGRNWQB-AWEZNQCLSA-N 2 1 333.476 3.769 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000582885873 1028132187 /nfs/dbraw/zinc/13/21/87/1028132187.db2.gz IAEIWTXZGRNWQB-AWEZNQCLSA-N 2 1 333.476 3.769 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000423097874 1028180127 /nfs/dbraw/zinc/18/01/27/1028180127.db2.gz RISHPCXEMFMANG-NFAWXSAZSA-N 2 1 340.309 3.806 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)c1 ZINC000339236868 1028184196 /nfs/dbraw/zinc/18/41/96/1028184196.db2.gz MWLYLXNYZOZNIX-QGZVFWFLSA-N 2 1 331.504 3.731 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116304 1028184432 /nfs/dbraw/zinc/18/44/32/1028184432.db2.gz PHSLWUIDWYBHFY-BTYIYWSLSA-N 2 1 339.458 3.788 20 0 EHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423112447 1028203579 /nfs/dbraw/zinc/20/35/79/1028203579.db2.gz XSCCLMIGMDEGCL-JAVIZJDVSA-N 3 1 349.950 3.969 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421332 1028207795 /nfs/dbraw/zinc/20/77/95/1028207795.db2.gz XVEVZQMDZJHGBB-BJLQDIEVSA-N 2 1 340.515 3.680 20 0 EHADMP Cc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423175491 1028245748 /nfs/dbraw/zinc/24/57/48/1028245748.db2.gz DRJNFYBQRFBWAK-LBPRGKRZSA-N 2 1 348.288 3.770 20 0 EHADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1OC ZINC000423180672 1028250643 /nfs/dbraw/zinc/25/06/43/1028250643.db2.gz BNYKSXAOGYDBDN-SFHVURJKSA-N 2 1 347.890 3.964 20 0 EHADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423194183 1028264506 /nfs/dbraw/zinc/26/45/06/1028264506.db2.gz YIGMQDOGEDWDOT-VQTJNVASSA-N 2 1 338.499 3.581 20 0 EHADMP Cn1ccnc1C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000414726349 1028319464 /nfs/dbraw/zinc/31/94/64/1028319464.db2.gz YVJPURQZJLEIBC-SFHVURJKSA-N 2 1 344.547 3.581 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)cc1 ZINC000423291328 1028329469 /nfs/dbraw/zinc/32/94/69/1028329469.db2.gz HWLGXEPVKLHNFS-HOTGVXAUSA-N 2 1 334.467 3.958 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423343078 1028358659 /nfs/dbraw/zinc/35/86/59/1028358659.db2.gz NLXSWUWNHAJCLB-NHYWBVRUSA-N 2 1 329.257 3.629 20 0 EHADMP CC1(C)CCC[NH2+][C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423373391 1028378460 /nfs/dbraw/zinc/37/84/60/1028378460.db2.gz BSPSAYDXCUWVEZ-WOZUAGRISA-N 2 1 341.543 3.550 20 0 EHADMP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423373389 1028379698 /nfs/dbraw/zinc/37/96/98/1028379698.db2.gz BSPSAYDXCUWVEZ-MXEMCNAFSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CCSCC1 ZINC000423368476 1028394136 /nfs/dbraw/zinc/39/41/36/1028394136.db2.gz NGCKQVWJYWUDSZ-QITLCBANSA-N 2 1 340.483 3.532 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000237132119 1028437974 /nfs/dbraw/zinc/43/79/74/1028437974.db2.gz LAQIPLWAHCPDDR-FQEVSTJZSA-N 2 1 344.474 3.607 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2F)s1 ZINC000423530695 1028484279 /nfs/dbraw/zinc/48/42/79/1028484279.db2.gz YWYJERGJTHMFCB-KGLIPLIRSA-N 2 1 334.460 3.583 20 0 EHADMP c1csc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCCC2)c1 ZINC000423523932 1028498277 /nfs/dbraw/zinc/49/82/77/1028498277.db2.gz WKFSKIIKDDIGFR-QLOJAFMTSA-N 2 1 347.572 3.785 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1F ZINC000423525768 1028499034 /nfs/dbraw/zinc/49/90/34/1028499034.db2.gz KQKHJGQBNFCIGL-FGSOGITGSA-N 2 1 332.463 3.639 20 0 EHADMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCCC(C)C ZINC000414750557 1028513718 /nfs/dbraw/zinc/51/37/18/1028513718.db2.gz LWURNIYSVIJZJG-GOSISDBHSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC[NH2+]1 ZINC000414753648 1028546582 /nfs/dbraw/zinc/54/65/82/1028546582.db2.gz MROJBXVHKCQMGV-ZRGWGRIASA-N 2 1 344.890 3.539 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000237132393 1028623957 /nfs/dbraw/zinc/62/39/57/1028623957.db2.gz HIAUNMIONULSGR-FQEVSTJZSA-N 2 1 346.540 3.703 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000270525153 1028683794 /nfs/dbraw/zinc/68/37/94/1028683794.db2.gz SQDUQTXFSIPRFG-GOSISDBHSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247056750 1028736568 /nfs/dbraw/zinc/73/65/68/1028736568.db2.gz NOJRDPLQBWYZNX-SJORKVTESA-N 2 1 340.515 3.954 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000246923966 1028745134 /nfs/dbraw/zinc/74/51/34/1028745134.db2.gz GWECDNRHRALLHM-DLBZAZTESA-N 2 1 332.488 3.763 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC12CCOCC2 ZINC000414771773 1028766340 /nfs/dbraw/zinc/76/63/40/1028766340.db2.gz ANYRZGGPNLIKMD-MNLRITNHSA-N 2 1 342.527 3.648 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000247110674 1028780039 /nfs/dbraw/zinc/78/00/39/1028780039.db2.gz QMKPHCLJRHWPHV-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000445436226 1028791936 /nfs/dbraw/zinc/79/19/36/1028791936.db2.gz PDOVBWYPQIHPPV-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000445436226 1028791944 /nfs/dbraw/zinc/79/19/44/1028791944.db2.gz PDOVBWYPQIHPPV-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436226 1028791957 /nfs/dbraw/zinc/79/19/57/1028791957.db2.gz PDOVBWYPQIHPPV-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436226 1028791969 /nfs/dbraw/zinc/79/19/69/1028791969.db2.gz PDOVBWYPQIHPPV-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1n1ccnc1 ZINC000247671949 1028808464 /nfs/dbraw/zinc/80/84/64/1028808464.db2.gz QYKIXYOKKSFWEN-RHSMWYFYSA-N 2 1 340.402 3.760 20 0 EHADMP C[C@@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1n1ccnc1 ZINC000247671949 1028808483 /nfs/dbraw/zinc/80/84/83/1028808483.db2.gz QYKIXYOKKSFWEN-RHSMWYFYSA-N 2 1 340.402 3.760 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(C(C)C)cc3)C2)CC1 ZINC000248452635 1028909748 /nfs/dbraw/zinc/90/97/48/1028909748.db2.gz JQTOISGESLLGJY-NQIIRXRSSA-N 2 1 329.532 3.583 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Br)c(F)c1)CC[NH2+]CC2 ZINC000424289037 1028931676 /nfs/dbraw/zinc/93/16/76/1028931676.db2.gz LHVYHUBRRARYNY-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000583173801 1029115397 /nfs/dbraw/zinc/11/53/97/1029115397.db2.gz MBMXYWGWOBKOMX-MRXNPFEDSA-N 2 1 337.939 3.623 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000583173801 1029115402 /nfs/dbraw/zinc/11/54/02/1029115402.db2.gz MBMXYWGWOBKOMX-MRXNPFEDSA-N 2 1 337.939 3.623 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743507 1029225503 /nfs/dbraw/zinc/22/55/03/1029225503.db2.gz SAXCSTNEKRGNMT-CSEOROSGSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245743507 1029225516 /nfs/dbraw/zinc/22/55/16/1029225516.db2.gz SAXCSTNEKRGNMT-CSEOROSGSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743507 1029225536 /nfs/dbraw/zinc/22/55/36/1029225536.db2.gz SAXCSTNEKRGNMT-CSEOROSGSA-N 3 1 341.543 3.644 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[C@H]4OCC[C@@H]42)C3)cc1 ZINC000245778703 1029285662 /nfs/dbraw/zinc/28/56/62/1029285662.db2.gz YPKWCZGITMIAAF-DRGMGAIOSA-N 2 1 340.511 3.729 20 0 EHADMP C[C@H]([NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncs1 ZINC000124699296 1029306959 /nfs/dbraw/zinc/30/69/59/1029306959.db2.gz YCHVUOIEJWDVBL-IJOZJFQKSA-N 2 1 329.513 3.950 20 0 EHADMP C[C@H]([NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cncs1 ZINC000124699296 1029306971 /nfs/dbraw/zinc/30/69/71/1029306971.db2.gz YCHVUOIEJWDVBL-IJOZJFQKSA-N 2 1 329.513 3.950 20 0 EHADMP COc1c(O)cccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000272500108 1029484879 /nfs/dbraw/zinc/48/48/79/1029484879.db2.gz VOABVWWQRPBNEJ-UHFFFAOYSA-N 2 1 328.456 3.531 20 0 EHADMP COc1c(O)cccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000272500108 1029484884 /nfs/dbraw/zinc/48/48/84/1029484884.db2.gz VOABVWWQRPBNEJ-UHFFFAOYSA-N 2 1 328.456 3.531 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608617 1029532015 /nfs/dbraw/zinc/53/20/15/1029532015.db2.gz ZPKJLHKBBFBVFU-RDJZCZTQSA-N 2 1 329.875 3.735 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608617 1029532027 /nfs/dbraw/zinc/53/20/27/1029532027.db2.gz ZPKJLHKBBFBVFU-RDJZCZTQSA-N 2 1 329.875 3.735 20 0 EHADMP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261953052 1029536506 /nfs/dbraw/zinc/53/65/06/1029536506.db2.gz OFYMBRFVNSVPFC-GJZGRUSLSA-N 2 1 344.421 3.714 20 0 EHADMP C[N@@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000261953049 1029537128 /nfs/dbraw/zinc/53/71/28/1029537128.db2.gz OFXWNVWUPHAMQF-UHFFFAOYSA-N 2 1 330.422 3.781 20 0 EHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000508560882 1029569649 /nfs/dbraw/zinc/56/96/49/1029569649.db2.gz NJXMUWGQAOBUDN-CYBMUJFWSA-N 2 1 332.822 3.715 20 0 EHADMP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000508560882 1029569659 /nfs/dbraw/zinc/56/96/59/1029569659.db2.gz NJXMUWGQAOBUDN-CYBMUJFWSA-N 2 1 332.822 3.715 20 0 EHADMP C[NH+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508560882 1029569665 /nfs/dbraw/zinc/56/96/65/1029569665.db2.gz NJXMUWGQAOBUDN-CYBMUJFWSA-N 2 1 332.822 3.715 20 0 EHADMP C[NH+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508560882 1029569675 /nfs/dbraw/zinc/56/96/75/1029569675.db2.gz NJXMUWGQAOBUDN-CYBMUJFWSA-N 2 1 332.822 3.715 20 0 EHADMP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272694660 1029570166 /nfs/dbraw/zinc/57/01/66/1029570166.db2.gz WTQDFOHVUNATIV-APWZRJJASA-N 2 1 343.902 3.778 20 0 EHADMP C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000524971486 1029640869 /nfs/dbraw/zinc/64/08/69/1029640869.db2.gz OGHGBZJJVGMBMR-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP C[NH+](CCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000524971486 1029640873 /nfs/dbraw/zinc/64/08/73/1029640873.db2.gz OGHGBZJJVGMBMR-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP C[NH+](CCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000524971486 1029640876 /nfs/dbraw/zinc/64/08/76/1029640876.db2.gz OGHGBZJJVGMBMR-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001279614841 1029644489 /nfs/dbraw/zinc/64/44/89/1029644489.db2.gz GIXVAHYVBUMQDQ-IBGZPJMESA-N 3 1 335.580 3.600 20 0 EHADMP CCCC[C@H](CC)CN1CC2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001279614841 1029644497 /nfs/dbraw/zinc/64/44/97/1029644497.db2.gz GIXVAHYVBUMQDQ-IBGZPJMESA-N 2 1 335.580 3.600 20 0 EHADMP CCCC[C@H](CC)CN1CC2(C1)CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001279614841 1029644504 /nfs/dbraw/zinc/64/45/04/1029644504.db2.gz GIXVAHYVBUMQDQ-IBGZPJMESA-N 2 1 335.580 3.600 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508692380 1029747032 /nfs/dbraw/zinc/74/70/32/1029747032.db2.gz VRWCXZZBZWIEGK-AQCRLBJHSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692380 1029747033 /nfs/dbraw/zinc/74/70/33/1029747033.db2.gz VRWCXZZBZWIEGK-AQCRLBJHSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692380 1029747034 /nfs/dbraw/zinc/74/70/34/1029747034.db2.gz VRWCXZZBZWIEGK-AQCRLBJHSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+]CCCc1ccc(O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709527 1029770500 /nfs/dbraw/zinc/77/05/00/1029770500.db2.gz HQHYEIFKMPWZIF-NQIIRXRSSA-N 2 1 338.495 3.825 20 0 EHADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508715646 1029775685 /nfs/dbraw/zinc/77/56/85/1029775685.db2.gz JIKKYLJQYVJFOO-IIZPIQPGSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715646 1029775691 /nfs/dbraw/zinc/77/56/91/1029775691.db2.gz JIKKYLJQYVJFOO-IIZPIQPGSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715646 1029775694 /nfs/dbraw/zinc/77/56/94/1029775694.db2.gz JIKKYLJQYVJFOO-IIZPIQPGSA-N 2 1 343.559 3.750 20 0 EHADMP CCC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)C1CC[NH2+]CC1 ZINC000469989560 1029780251 /nfs/dbraw/zinc/78/02/51/1029780251.db2.gz FXXOEXUJONMPIE-UHFFFAOYSA-N 2 1 331.287 3.966 20 0 EHADMP CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)C1CC[NH2+]CC1 ZINC000469989560 1029780258 /nfs/dbraw/zinc/78/02/58/1029780258.db2.gz FXXOEXUJONMPIE-UHFFFAOYSA-N 2 1 331.287 3.966 20 0 EHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836116 1029816046 /nfs/dbraw/zinc/81/60/46/1029816046.db2.gz RXLALQURCZYUMY-RTWAWAEBSA-N 2 1 342.458 3.503 20 0 EHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836116 1029816055 /nfs/dbraw/zinc/81/60/55/1029816055.db2.gz RXLALQURCZYUMY-RTWAWAEBSA-N 2 1 342.458 3.503 20 0 EHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836115 1029816292 /nfs/dbraw/zinc/81/62/92/1029816292.db2.gz RXLALQURCZYUMY-NHCUHLMSSA-N 2 1 342.458 3.503 20 0 EHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836115 1029816299 /nfs/dbraw/zinc/81/62/99/1029816299.db2.gz RXLALQURCZYUMY-NHCUHLMSSA-N 2 1 342.458 3.503 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000127042975 1029825480 /nfs/dbraw/zinc/82/54/80/1029825480.db2.gz VMXMAGPWXTUEFM-NRFANRHFSA-N 2 1 342.527 3.775 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2COC)[C@@H](C)C1 ZINC000508727224 1029836219 /nfs/dbraw/zinc/83/62/19/1029836219.db2.gz PBOKPVBYQLHPEF-VDKPFWJGSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2COC)[C@@H](C)C1 ZINC000508727224 1029836231 /nfs/dbraw/zinc/83/62/31/1029836231.db2.gz PBOKPVBYQLHPEF-VDKPFWJGSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2COC)[C@@H](C)C1 ZINC000508727224 1029836237 /nfs/dbraw/zinc/83/62/37/1029836237.db2.gz PBOKPVBYQLHPEF-VDKPFWJGSA-N 2 1 330.516 3.898 20 0 EHADMP CN(c1ccccc1C[N@H+]1CC[C@H]2CCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000428463663 1029875197 /nfs/dbraw/zinc/87/51/97/1029875197.db2.gz SIKMAPBGJHWDON-UTKZUKDTSA-N 2 1 327.516 3.591 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@H](C)C1 ZINC000453247999 1029977396 /nfs/dbraw/zinc/97/73/96/1029977396.db2.gz BQJFNIIRFTUUEC-IIBYNOLFSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@H](C)C1 ZINC000453247999 1029977403 /nfs/dbraw/zinc/97/74/03/1029977403.db2.gz BQJFNIIRFTUUEC-IIBYNOLFSA-N 2 1 348.506 3.930 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707653 1030003547 /nfs/dbraw/zinc/00/35/47/1030003547.db2.gz KHDZMSUYXQFBAT-VDZJLULYSA-N 2 1 336.907 3.675 20 0 EHADMP CCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000453361481 1030137756 /nfs/dbraw/zinc/13/77/56/1030137756.db2.gz KCRLFIKNLBQPIA-PWRODBHTSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000453382868 1030163133 /nfs/dbraw/zinc/16/31/33/1030163133.db2.gz YOKRYNURWHZKDB-KOUNCHBCSA-N 2 1 335.495 3.984 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429017544 1030163689 /nfs/dbraw/zinc/16/36/89/1030163689.db2.gz FSTFKLURMVKVGL-XJKSGUPXSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429017544 1030163698 /nfs/dbraw/zinc/16/36/98/1030163698.db2.gz FSTFKLURMVKVGL-XJKSGUPXSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429017544 1030163719 /nfs/dbraw/zinc/16/37/19/1030163719.db2.gz FSTFKLURMVKVGL-XJKSGUPXSA-N 2 1 328.378 3.674 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C(F)(F)F)c2)C1 ZINC000650722596 1030195704 /nfs/dbraw/zinc/19/57/04/1030195704.db2.gz XORDHHUVYUEDPL-IXDOHACOSA-N 2 1 342.405 3.566 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650723218 1030200550 /nfs/dbraw/zinc/20/05/50/1030200550.db2.gz JHZSVPWEGPMDRQ-NJYVYQBISA-N 2 1 330.516 3.746 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482119143 1030221519 /nfs/dbraw/zinc/22/15/19/1030221519.db2.gz HZHZKMXSQVKKCD-RYUDHWBXSA-N 2 1 342.270 3.944 20 0 EHADMP C[C@H]([NH2+]CCOCC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453411173 1030223029 /nfs/dbraw/zinc/22/30/29/1030223029.db2.gz XKEJORHGHNRIDX-RXVVDRJESA-N 2 1 330.516 3.693 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)cc1C ZINC000482152192 1030230324 /nfs/dbraw/zinc/23/03/24/1030230324.db2.gz QKPXRUXVWZYCAZ-UYAOXDASSA-N 2 1 345.531 3.732 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000482159270 1030235465 /nfs/dbraw/zinc/23/54/65/1030235465.db2.gz VFSFBBGMBZHGJO-UYAOXDASSA-N 2 1 345.531 3.732 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000531993932 1030243185 /nfs/dbraw/zinc/24/31/85/1030243185.db2.gz QAPNIHWCSMOYQP-JRGCBEDISA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000531993932 1030243204 /nfs/dbraw/zinc/24/32/04/1030243204.db2.gz QAPNIHWCSMOYQP-JRGCBEDISA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453434440 1030291977 /nfs/dbraw/zinc/29/19/77/1030291977.db2.gz TZPHRMXFPKYRHO-CQSZACIVSA-N 2 1 337.895 3.521 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000447579469 1030343631 /nfs/dbraw/zinc/34/36/31/1030343631.db2.gz KUMGIRLPTBHOAM-ARFHVFGLSA-N 2 1 348.487 3.605 20 0 EHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151086822 1030351789 /nfs/dbraw/zinc/35/17/89/1030351789.db2.gz YUTDCTRCKODOKH-SFHVURJKSA-N 2 1 329.532 3.756 20 0 EHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151086822 1030351805 /nfs/dbraw/zinc/35/18/05/1030351805.db2.gz YUTDCTRCKODOKH-SFHVURJKSA-N 2 1 329.532 3.756 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC1 ZINC000453598728 1030357240 /nfs/dbraw/zinc/35/72/40/1030357240.db2.gz QDAROTUGVIXJAL-UHFFFAOYSA-N 2 1 332.879 3.694 20 0 EHADMP COc1ccccc1CCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429718732 1030376027 /nfs/dbraw/zinc/37/60/27/1030376027.db2.gz NUPULUMIXPUPEY-UHFFFAOYSA-N 2 1 340.467 3.875 20 0 EHADMP CCC[N@H+](CCCCCF)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367458363 1030383707 /nfs/dbraw/zinc/38/37/07/1030383707.db2.gz KNOBCFIHFHZPRC-UHFFFAOYSA-N 2 1 336.499 3.914 20 0 EHADMP CCC[N@@H+](CCCCCF)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367458363 1030383723 /nfs/dbraw/zinc/38/37/23/1030383723.db2.gz KNOBCFIHFHZPRC-UHFFFAOYSA-N 2 1 336.499 3.914 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C1CC1)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000925200811 1030468948 /nfs/dbraw/zinc/46/89/48/1030468948.db2.gz PUSBGVZOCZAIIC-UTKZUKDTSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482552747 1030522599 /nfs/dbraw/zinc/52/25/99/1030522599.db2.gz KCTPVGLHOVUSTC-OAQYLSRUSA-N 2 1 344.543 3.878 20 0 EHADMP Cc1cc(C)c([C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1C ZINC000482565162 1030542129 /nfs/dbraw/zinc/54/21/29/1030542129.db2.gz XEMXHOJHURZAIF-IBGZPJMESA-N 2 1 330.516 3.907 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563616 1030629228 /nfs/dbraw/zinc/62/92/28/1030629228.db2.gz JLBZOSZWRWQVRY-FQEVSTJZSA-N 2 1 338.499 3.835 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563616 1030629235 /nfs/dbraw/zinc/62/92/35/1030629235.db2.gz JLBZOSZWRWQVRY-FQEVSTJZSA-N 2 1 338.499 3.835 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563938 1030631545 /nfs/dbraw/zinc/63/15/45/1030631545.db2.gz VLHFNEJFZOABQS-LJQANCHMSA-N 2 1 342.462 3.666 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563938 1030631555 /nfs/dbraw/zinc/63/15/55/1030631555.db2.gz VLHFNEJFZOABQS-LJQANCHMSA-N 2 1 342.462 3.666 20 0 EHADMP C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550895934 1030777474 /nfs/dbraw/zinc/77/74/74/1030777474.db2.gz YVSMCAAOBDVFBF-BWAGFHJFSA-N 2 1 344.543 3.675 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@H](C)C1 ZINC000130600093 1030803082 /nfs/dbraw/zinc/80/30/82/1030803082.db2.gz ZTFNJHSVMSPTGB-DNVCBOLYSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@H](C)C1 ZINC000130600093 1030803106 /nfs/dbraw/zinc/80/31/06/1030803106.db2.gz ZTFNJHSVMSPTGB-DNVCBOLYSA-N 2 1 343.446 3.833 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000122968949 1030815344 /nfs/dbraw/zinc/81/53/44/1030815344.db2.gz VQWGMZBZFPMUFB-INIZCTEOSA-N 2 1 332.488 3.763 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)CC1 ZINC000668169485 1030835156 /nfs/dbraw/zinc/83/51/56/1030835156.db2.gz SJWLEKSODGWBIX-INIZCTEOSA-N 2 1 332.463 3.531 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094146 1030984621 /nfs/dbraw/zinc/98/46/21/1030984621.db2.gz SCAIERHJYPMIHY-KBPBESRZSA-N 2 1 342.405 3.523 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000551067803 1031013955 /nfs/dbraw/zinc/01/39/55/1031013955.db2.gz PMBIOZBQTHVLQR-IFMALSPDSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000551067803 1031013973 /nfs/dbraw/zinc/01/39/73/1031013973.db2.gz PMBIOZBQTHVLQR-IFMALSPDSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000551067803 1031013991 /nfs/dbraw/zinc/01/39/91/1031013991.db2.gz PMBIOZBQTHVLQR-IFMALSPDSA-N 2 1 343.559 3.846 20 0 EHADMP COc1ccc(F)cc1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176601 1031077749 /nfs/dbraw/zinc/07/77/49/1031077749.db2.gz ZIQYBJNVHPPMEF-RTBURBONSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000551176601 1031077768 /nfs/dbraw/zinc/07/77/68/1031077768.db2.gz ZIQYBJNVHPPMEF-RTBURBONSA-N 2 1 328.431 3.759 20 0 EHADMP Cc1ccccc1[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000483423257 1031159015 /nfs/dbraw/zinc/15/90/15/1031159015.db2.gz SQEVRNVKBDPSGK-ZCNNSNEGSA-N 2 1 329.532 3.546 20 0 EHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263817 1031176306 /nfs/dbraw/zinc/17/63/06/1031176306.db2.gz UELDRLMSUPLTSY-ZVDOUQERSA-N 2 1 344.543 3.939 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3coc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000483482920 1031189265 /nfs/dbraw/zinc/18/92/65/1031189265.db2.gz DCLMKNLWCRNWHX-MAUKXSAKSA-N 2 1 345.874 3.911 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483484068 1031191178 /nfs/dbraw/zinc/19/11/78/1031191178.db2.gz WQSSCIFDYASQDO-UKPHBRMFSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483484068 1031191185 /nfs/dbraw/zinc/19/11/85/1031191185.db2.gz WQSSCIFDYASQDO-UKPHBRMFSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483484068 1031191198 /nfs/dbraw/zinc/19/11/98/1031191198.db2.gz WQSSCIFDYASQDO-UKPHBRMFSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483484068 1031191213 /nfs/dbraw/zinc/19/12/13/1031191213.db2.gz WQSSCIFDYASQDO-UKPHBRMFSA-N 2 1 337.305 3.926 20 0 EHADMP [NH3+]CCCOCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000629541052 1031214490 /nfs/dbraw/zinc/21/44/90/1031214490.db2.gz WWXQCQYMUMSWOI-SFHVURJKSA-N 2 1 336.838 3.524 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803211 1031275697 /nfs/dbraw/zinc/27/56/97/1031275697.db2.gz DIEMSMNETAQZKK-OCBLOMHFSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803211 1031275708 /nfs/dbraw/zinc/27/57/08/1031275708.db2.gz DIEMSMNETAQZKK-OCBLOMHFSA-N 2 1 328.500 3.585 20 0 EHADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000163267593 1031366593 /nfs/dbraw/zinc/36/65/93/1031366593.db2.gz NBRZMTHXYYIIDJ-GHTZIAJQSA-N 2 1 329.532 3.502 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976253 1031413317 /nfs/dbraw/zinc/41/33/17/1031413317.db2.gz ONSGDEJNGMNYEA-KBPBESRZSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976253 1031413324 /nfs/dbraw/zinc/41/33/24/1031413324.db2.gz ONSGDEJNGMNYEA-KBPBESRZSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976253 1031413332 /nfs/dbraw/zinc/41/33/32/1031413332.db2.gz ONSGDEJNGMNYEA-KBPBESRZSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976253 1031413338 /nfs/dbraw/zinc/41/33/38/1031413338.db2.gz ONSGDEJNGMNYEA-KBPBESRZSA-N 2 1 328.859 3.663 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCC[C@@H]4CCOC4)C3)CC2)cc1 ZINC000645922167 1031527104 /nfs/dbraw/zinc/52/71/04/1031527104.db2.gz GUQBFNBAKOCAIZ-OAQYLSRUSA-N 2 1 342.527 3.791 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000343597787 1031556739 /nfs/dbraw/zinc/55/67/39/1031556739.db2.gz DRQIJDRWPUCTCA-UHFFFAOYSA-N 2 1 332.879 3.648 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000343597787 1031556751 /nfs/dbraw/zinc/55/67/51/1031556751.db2.gz DRQIJDRWPUCTCA-UHFFFAOYSA-N 2 1 332.879 3.648 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073030 1031617197 /nfs/dbraw/zinc/61/71/97/1031617197.db2.gz CHRFQHGVUXLTJD-XLIONFOSSA-N 2 1 348.494 3.657 20 0 EHADMP CC[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000484507209 1031651784 /nfs/dbraw/zinc/65/17/84/1031651784.db2.gz WNORHFWQJUUPIX-RKNHFHLDSA-N 2 1 330.516 3.548 20 0 EHADMP CCCN(CC)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000584103602 1031739090 /nfs/dbraw/zinc/73/90/90/1031739090.db2.gz BJAQUYCWLZNVHJ-UHFFFAOYSA-N 2 1 331.548 3.751 20 0 EHADMP CCC[N@H+](CC)CC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000584103602 1031739105 /nfs/dbraw/zinc/73/91/05/1031739105.db2.gz BJAQUYCWLZNVHJ-UHFFFAOYSA-N 3 1 331.548 3.751 20 0 EHADMP CCC[N@@H+](CC)CC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000584103602 1031739123 /nfs/dbraw/zinc/73/91/23/1031739123.db2.gz BJAQUYCWLZNVHJ-UHFFFAOYSA-N 3 1 331.548 3.751 20 0 EHADMP CCC[NH+](CC)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000584103602 1031739137 /nfs/dbraw/zinc/73/91/37/1031739137.db2.gz BJAQUYCWLZNVHJ-UHFFFAOYSA-N 3 1 331.548 3.751 20 0 EHADMP CCC[NH+](CC)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000584103602 1031739151 /nfs/dbraw/zinc/73/91/51/1031739151.db2.gz BJAQUYCWLZNVHJ-UHFFFAOYSA-N 3 1 331.548 3.751 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccn3)CC2)cs1 ZINC000159103550 1031874301 /nfs/dbraw/zinc/87/43/01/1031874301.db2.gz QRVBGHKVMJVOTH-HNNXBMFYSA-N 2 1 344.528 3.663 20 0 EHADMP CCOc1cc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904307757 1031935206 /nfs/dbraw/zinc/93/52/06/1031935206.db2.gz VWOUNOJJQRVQND-GOSISDBHSA-N 2 1 342.430 3.508 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904307757 1031935210 /nfs/dbraw/zinc/93/52/10/1031935210.db2.gz VWOUNOJJQRVQND-GOSISDBHSA-N 2 1 342.430 3.508 20 0 EHADMP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000127422365 1031979163 /nfs/dbraw/zinc/97/91/63/1031979163.db2.gz NJPXHIGROBESGK-NRFANRHFSA-N 2 1 339.483 3.826 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000657836018 1031987337 /nfs/dbraw/zinc/98/73/37/1031987337.db2.gz JTGLSIIDJZFVLF-FXAWDEMLSA-N 2 1 328.500 3.862 20 0 EHADMP CCC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccn1 ZINC000159317098 1032012234 /nfs/dbraw/zinc/01/22/34/1032012234.db2.gz WQVCFJXBBOJHKP-IBGZPJMESA-N 2 1 339.487 3.588 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@H]1SC ZINC000459404581 1032046153 /nfs/dbraw/zinc/04/61/53/1032046153.db2.gz DMSFIWFVFZNOES-XWPNQZOQSA-N 2 1 348.556 3.711 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000574670964 1033330726 /nfs/dbraw/zinc/33/07/26/1033330726.db2.gz KEJHTTPSHYUNKU-HUUCEWRRSA-N 2 1 339.911 3.762 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000574670964 1033330734 /nfs/dbraw/zinc/33/07/34/1033330734.db2.gz KEJHTTPSHYUNKU-HUUCEWRRSA-N 2 1 339.911 3.762 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCOC12CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898112054 1033334000 /nfs/dbraw/zinc/33/40/00/1033334000.db2.gz OQIPYCQRNVDSSD-DFQSSKMNSA-N 2 1 328.500 3.588 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)CC1 ZINC000685462807 1033357570 /nfs/dbraw/zinc/35/75/70/1033357570.db2.gz ILQHULVXACQXNM-HXUWFJFHSA-N 2 1 328.500 3.639 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)c1cccnc1 ZINC000685469968 1033366382 /nfs/dbraw/zinc/36/63/82/1033366382.db2.gz ZGNHUTWCYRLLLP-KRWDZBQOSA-N 2 1 327.472 3.605 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470823 1033370461 /nfs/dbraw/zinc/37/04/61/1033370461.db2.gz UMMDUOKUQRHVOT-WBVHZDCISA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470823 1033370471 /nfs/dbraw/zinc/37/04/71/1033370471.db2.gz UMMDUOKUQRHVOT-WBVHZDCISA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470823 1033370482 /nfs/dbraw/zinc/37/04/82/1033370482.db2.gz UMMDUOKUQRHVOT-WBVHZDCISA-N 2 1 326.406 3.930 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000685476901 1033379456 /nfs/dbraw/zinc/37/94/56/1033379456.db2.gz DNJCLOXCBMKJPE-UHFFFAOYSA-N 2 1 348.450 3.749 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413787 1033427172 /nfs/dbraw/zinc/42/71/72/1033427172.db2.gz AQSCYRDULQNXQY-FQEVSTJZSA-N 2 1 342.433 3.772 20 0 EHADMP CC1CCC([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000608053595 1033469882 /nfs/dbraw/zinc/46/98/82/1033469882.db2.gz GVLGWPZSUJPYGW-MNLRITNHSA-N 2 1 329.532 3.534 20 0 EHADMP CSCC1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000594962235 1033600556 /nfs/dbraw/zinc/60/05/56/1033600556.db2.gz DLDZUIPFNXJICT-UHFFFAOYSA-N 2 1 332.557 3.816 20 0 EHADMP C[C@@H](CSCCF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000595038257 1033657445 /nfs/dbraw/zinc/65/74/45/1033657445.db2.gz IBZDLHYEQMKJKC-FUHWJXTLSA-N 2 1 338.536 3.968 20 0 EHADMP C[C@@H](CSCCF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000595038257 1033657449 /nfs/dbraw/zinc/65/74/49/1033657449.db2.gz IBZDLHYEQMKJKC-FUHWJXTLSA-N 2 1 338.536 3.968 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657939120 1033699705 /nfs/dbraw/zinc/69/97/05/1033699705.db2.gz USROMWZXYNIOGF-QGZVFWFLSA-N 2 1 337.305 3.622 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000685665218 1033716008 /nfs/dbraw/zinc/71/60/08/1033716008.db2.gz OINCMFZFGPYXJQ-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4COC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000657970077 1033773811 /nfs/dbraw/zinc/77/38/11/1033773811.db2.gz ANIKYCIFMRIEGU-BURNTYAHSA-N 2 1 340.511 3.588 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000550644637 1033808241 /nfs/dbraw/zinc/80/82/41/1033808241.db2.gz WDHWZOQFEGHIGS-GIVPXCGWSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550644637 1033808252 /nfs/dbraw/zinc/80/82/52/1033808252.db2.gz WDHWZOQFEGHIGS-GIVPXCGWSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550644637 1033808258 /nfs/dbraw/zinc/80/82/58/1033808258.db2.gz WDHWZOQFEGHIGS-GIVPXCGWSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550644637 1033808272 /nfs/dbraw/zinc/80/82/72/1033808272.db2.gz WDHWZOQFEGHIGS-GIVPXCGWSA-N 3 1 329.532 3.532 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550644637 1033808289 /nfs/dbraw/zinc/80/82/89/1033808289.db2.gz WDHWZOQFEGHIGS-GIVPXCGWSA-N 3 1 329.532 3.532 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658054860 1033885709 /nfs/dbraw/zinc/88/57/09/1033885709.db2.gz FGQABJJHLACBNB-PYCJISIWSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1cc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000575215725 1033891013 /nfs/dbraw/zinc/89/10/13/1033891013.db2.gz IEMSKHLCDOLNTL-YLJYHZDGSA-N 2 1 343.540 3.696 20 0 EHADMP CC[C@@H](COCC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658091630 1033920583 /nfs/dbraw/zinc/92/05/83/1033920583.db2.gz MULQZRFOKNWJAN-KJJMTIBFSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658140416 1033987407 /nfs/dbraw/zinc/98/74/07/1033987407.db2.gz UEBMMLFHROQSJL-RTWAWAEBSA-N 2 1 330.516 3.558 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658139407 1034004688 /nfs/dbraw/zinc/00/46/88/1034004688.db2.gz RFXZLITVSJNJJU-ZWDAVXSWSA-N 2 1 336.479 3.591 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000623471856 1034036489 /nfs/dbraw/zinc/03/64/89/1034036489.db2.gz WMVSDLXNCGICHX-NRSPTQNISA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471856 1034036505 /nfs/dbraw/zinc/03/65/05/1034036505.db2.gz WMVSDLXNCGICHX-NRSPTQNISA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471856 1034036520 /nfs/dbraw/zinc/03/65/20/1034036520.db2.gz WMVSDLXNCGICHX-NRSPTQNISA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCN(C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471856 1034036535 /nfs/dbraw/zinc/03/65/35/1034036535.db2.gz WMVSDLXNCGICHX-NRSPTQNISA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCN(C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471856 1034036544 /nfs/dbraw/zinc/03/65/44/1034036544.db2.gz WMVSDLXNCGICHX-NRSPTQNISA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542818 1034147952 /nfs/dbraw/zinc/14/79/52/1034147952.db2.gz LEVIZTOHMZJANB-SJLPKXTDSA-N 2 1 327.447 3.611 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542816 1034148511 /nfs/dbraw/zinc/14/85/11/1034148511.db2.gz LEVIZTOHMZJANB-FUHWJXTLSA-N 2 1 327.447 3.611 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168328556 1034188294 /nfs/dbraw/zinc/18/82/94/1034188294.db2.gz JQQOAWZIIPGDDJ-HDYDNRTBSA-N 2 1 330.516 3.823 20 0 EHADMP Cc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658341055 1034216404 /nfs/dbraw/zinc/21/64/04/1034216404.db2.gz UGDVGZIWNNCASH-GHTZIAJQSA-N 2 1 328.500 3.605 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340179739 1034405479 /nfs/dbraw/zinc/40/54/79/1034405479.db2.gz GGSHJQBREAASCT-UGKGYDQZSA-N 2 1 348.494 3.770 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179739 1034405490 /nfs/dbraw/zinc/40/54/90/1034405490.db2.gz GGSHJQBREAASCT-UGKGYDQZSA-N 2 1 348.494 3.770 20 0 EHADMP COc1nccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1F ZINC000892465448 1034426862 /nfs/dbraw/zinc/42/68/62/1034426862.db2.gz DVWRAMHOJSKSOT-UHFFFAOYSA-N 2 1 343.446 3.505 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340210463 1034468090 /nfs/dbraw/zinc/46/80/90/1034468090.db2.gz RDIUIPRQGRELFP-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340210463 1034468102 /nfs/dbraw/zinc/46/81/02/1034468102.db2.gz RDIUIPRQGRELFP-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149351 1034476272 /nfs/dbraw/zinc/47/62/72/1034476272.db2.gz GNVUUKCKMSJLSC-CTNGQTDRSA-N 2 1 346.515 3.551 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149351 1034476293 /nfs/dbraw/zinc/47/62/93/1034476293.db2.gz GNVUUKCKMSJLSC-CTNGQTDRSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149351 1034476302 /nfs/dbraw/zinc/47/63/02/1034476302.db2.gz GNVUUKCKMSJLSC-CTNGQTDRSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149351 1034476315 /nfs/dbraw/zinc/47/63/15/1034476315.db2.gz GNVUUKCKMSJLSC-CTNGQTDRSA-N 2 1 346.515 3.551 20 0 EHADMP COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000450604841 1034557905 /nfs/dbraw/zinc/55/79/05/1034557905.db2.gz XUSXZJBIFXUIKI-QAPCUYQASA-N 2 1 334.891 3.797 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1Br ZINC000121435509 1034949835 /nfs/dbraw/zinc/94/98/35/1034949835.db2.gz UQGLJVWOUKWJBA-QWHCGFSZSA-N 2 1 336.277 3.941 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000376079530 1035228297 /nfs/dbraw/zinc/22/82/97/1035228297.db2.gz HKMFCIJCHJTCAT-WOJBJXKFSA-N 2 1 340.515 3.688 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000548992058 1035406045 /nfs/dbraw/zinc/40/60/45/1035406045.db2.gz UEOZOXLWZDVWKE-OPVJXMOQSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000540660569 1035548695 /nfs/dbraw/zinc/54/86/95/1035548695.db2.gz OPTMZWCIHXUHFA-DYVFJYSZSA-N 2 1 345.314 3.830 20 0 EHADMP CCC(CC)(CNCc1c[nH+]c(C)n1C)[NH2+][C@H](C)c1ccccc1 ZINC000571702537 1035596800 /nfs/dbraw/zinc/59/68/00/1035596800.db2.gz MGYPLVLAXRXGSA-MRXNPFEDSA-N 2 1 328.504 3.728 20 0 EHADMP CC(C)c1[nH+]c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c2ccccn21 ZINC000571886863 1035772814 /nfs/dbraw/zinc/77/28/14/1035772814.db2.gz FPEPTRWKCDSEGH-QGZVFWFLSA-N 2 1 326.488 3.518 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1Br ZINC000414150424 1035790014 /nfs/dbraw/zinc/79/00/14/1035790014.db2.gz UZMVFOZHCLWMHL-XJKCOSOUSA-N 2 1 325.294 3.576 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nccn3C3CC3)cc2)C1 ZINC000892573746 1036210404 /nfs/dbraw/zinc/21/04/04/1036210404.db2.gz FFIBDCMETCXZOH-QGZVFWFLSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nccn3C3CC3)cc2)C1 ZINC000892573746 1036210423 /nfs/dbraw/zinc/21/04/23/1036210423.db2.gz FFIBDCMETCXZOH-QGZVFWFLSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000414244379 1036254802 /nfs/dbraw/zinc/25/48/02/1036254802.db2.gz QCKCQEYGUHZFLI-IINYFYTJSA-N 2 1 331.685 3.532 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000414245809 1036263173 /nfs/dbraw/zinc/26/31/73/1036263173.db2.gz RRYBDTOJEYNXGO-CABCVRRESA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414245809 1036263186 /nfs/dbraw/zinc/26/31/86/1036263186.db2.gz RRYBDTOJEYNXGO-CABCVRRESA-N 2 1 343.696 3.819 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)o1 ZINC000892581140 1036274842 /nfs/dbraw/zinc/27/48/42/1036274842.db2.gz UJSHTUCTFZTPEQ-MRXNPFEDSA-N 2 1 328.456 3.952 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)o1 ZINC000892581140 1036274849 /nfs/dbraw/zinc/27/48/49/1036274849.db2.gz UJSHTUCTFZTPEQ-MRXNPFEDSA-N 2 1 328.456 3.952 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000190772537 1036291715 /nfs/dbraw/zinc/29/17/15/1036291715.db2.gz QXAQDPRWRBZXLA-SFHVURJKSA-N 2 1 332.536 3.528 20 0 EHADMP CCC[NH+]1CCC(Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000153415347 1036423784 /nfs/dbraw/zinc/42/37/84/1036423784.db2.gz FZPFZEPFIDOQKX-HDICACEKSA-N 2 1 345.531 3.582 20 0 EHADMP CCC[NH+]1CCC(Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000153415347 1036423798 /nfs/dbraw/zinc/42/37/98/1036423798.db2.gz FZPFZEPFIDOQKX-HDICACEKSA-N 2 1 345.531 3.582 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000308424069 1036449747 /nfs/dbraw/zinc/44/97/47/1036449747.db2.gz QBMATNSGOKWQCH-BTHPGYMESA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000308424069 1036449762 /nfs/dbraw/zinc/44/97/62/1036449762.db2.gz QBMATNSGOKWQCH-BTHPGYMESA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000192723138 1036542157 /nfs/dbraw/zinc/54/21/57/1036542157.db2.gz HEFBZJVXRWHHRQ-FQEVSTJZSA-N 2 1 349.950 3.893 20 0 EHADMP COCC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000414303646 1036545421 /nfs/dbraw/zinc/54/54/21/1036545421.db2.gz DFKVZUCPQBLADL-UHFFFAOYSA-N 2 1 348.506 3.627 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644412 1036547994 /nfs/dbraw/zinc/54/79/94/1036547994.db2.gz GMRULINRNSXHRS-QGCDCVKKSA-N 2 1 335.495 3.899 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644412 1036548009 /nfs/dbraw/zinc/54/80/09/1036548009.db2.gz GMRULINRNSXHRS-QGCDCVKKSA-N 2 1 335.495 3.899 20 0 EHADMP COc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCCC2)c1 ZINC000192846977 1036557642 /nfs/dbraw/zinc/55/76/42/1036557642.db2.gz SPLZJDZWCLAGIK-YQQQUEKLSA-N 2 1 328.500 3.722 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000237668679 1036847168 /nfs/dbraw/zinc/84/71/68/1036847168.db2.gz COOXIYNFJKSASS-OKILXGFUSA-N 2 1 345.314 3.972 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206336 1036893593 /nfs/dbraw/zinc/89/35/93/1036893593.db2.gz QIOKAFVJVICJPW-WQUXRXDGSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206336 1036893612 /nfs/dbraw/zinc/89/36/12/1036893612.db2.gz QIOKAFVJVICJPW-WQUXRXDGSA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000539545473 1036896203 /nfs/dbraw/zinc/89/62/03/1036896203.db2.gz MMBGOKVUGYDDFF-PMACEKPBSA-N 2 1 332.532 3.938 20 0 EHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472567 1036911886 /nfs/dbraw/zinc/91/18/86/1036911886.db2.gz REGGHQWUBUVFBO-HOTGVXAUSA-N 2 1 342.405 3.667 20 0 EHADMP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)sc1Br ZINC000472595611 1036935302 /nfs/dbraw/zinc/93/53/02/1036935302.db2.gz FWTKKXYZLHNHDB-UHFFFAOYSA-N 2 1 343.334 3.879 20 0 EHADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)sc1Br ZINC000472595611 1036935305 /nfs/dbraw/zinc/93/53/05/1036935305.db2.gz FWTKKXYZLHNHDB-UHFFFAOYSA-N 2 1 343.334 3.879 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994646 1036938932 /nfs/dbraw/zinc/93/89/32/1036938932.db2.gz TXTJEYPFISFATE-BWAGFHJFSA-N 2 1 338.495 3.874 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994646 1036938948 /nfs/dbraw/zinc/93/89/48/1036938948.db2.gz TXTJEYPFISFATE-BWAGFHJFSA-N 2 1 338.495 3.874 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000302988287 1036960557 /nfs/dbraw/zinc/96/05/57/1036960557.db2.gz FJUZTXCELZXOAK-LJQANCHMSA-N 2 1 346.515 3.518 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000302988287 1036960575 /nfs/dbraw/zinc/96/05/75/1036960575.db2.gz FJUZTXCELZXOAK-LJQANCHMSA-N 2 1 346.515 3.518 20 0 EHADMP OC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCCC1 ZINC000310961068 1037004807 /nfs/dbraw/zinc/00/48/07/1037004807.db2.gz GTAJCMGCCIAEQI-UHFFFAOYSA-N 2 1 342.527 3.670 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000590786201 1037049265 /nfs/dbraw/zinc/04/92/65/1037049265.db2.gz HLNXLDRCKSSTSU-UHFFFAOYSA-N 2 1 332.532 3.688 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000590786396 1037049828 /nfs/dbraw/zinc/04/98/28/1037049828.db2.gz VTPDSYLHHMEQNZ-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000590786396 1037049835 /nfs/dbraw/zinc/04/98/35/1037049835.db2.gz VTPDSYLHHMEQNZ-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP CCOC[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000539826678 1037249396 /nfs/dbraw/zinc/24/93/96/1037249396.db2.gz RNIFBJVMTDHLBK-HXUWFJFHSA-N 2 1 332.532 3.893 20 0 EHADMP CCOC[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000539826678 1037249416 /nfs/dbraw/zinc/24/94/16/1037249416.db2.gz RNIFBJVMTDHLBK-HXUWFJFHSA-N 2 1 332.532 3.893 20 0 EHADMP CCOC[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000539826678 1037249424 /nfs/dbraw/zinc/24/94/24/1037249424.db2.gz RNIFBJVMTDHLBK-HXUWFJFHSA-N 2 1 332.532 3.893 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H]2CCC[C@@H]21 ZINC000573116183 1037291890 /nfs/dbraw/zinc/29/18/90/1037291890.db2.gz SNRRXMWJVZQCMC-AABGKKOBSA-N 2 1 337.467 3.836 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1F ZINC000532441702 1037295820 /nfs/dbraw/zinc/29/58/20/1037295820.db2.gz BDFNMVXFFNAWCT-QAPCUYQASA-N 2 1 347.503 3.527 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454521 1037324405 /nfs/dbraw/zinc/32/44/05/1037324405.db2.gz PURUGHHXLNWXEN-UTKZUKDTSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454521 1037324421 /nfs/dbraw/zinc/32/44/21/1037324421.db2.gz PURUGHHXLNWXEN-UTKZUKDTSA-N 2 1 326.459 3.868 20 0 EHADMP CCCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000462746799 1037360887 /nfs/dbraw/zinc/36/08/87/1037360887.db2.gz VYTZERPHWIVVLY-QFIPXVFZSA-N 2 1 343.559 3.895 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464592 1037367255 /nfs/dbraw/zinc/36/72/55/1037367255.db2.gz JUUMYQMKNWLLSA-XQBPLPMBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464592 1037367268 /nfs/dbraw/zinc/36/72/68/1037367268.db2.gz JUUMYQMKNWLLSA-XQBPLPMBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464592 1037367286 /nfs/dbraw/zinc/36/72/86/1037367286.db2.gz JUUMYQMKNWLLSA-XQBPLPMBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464592 1037367300 /nfs/dbraw/zinc/36/73/00/1037367300.db2.gz JUUMYQMKNWLLSA-XQBPLPMBSA-N 2 1 343.559 3.881 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000462798921 1037392900 /nfs/dbraw/zinc/39/29/00/1037392900.db2.gz PGJUDOYHOFOFOF-UHFFFAOYSA-N 2 1 344.499 3.748 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000462803023 1037420639 /nfs/dbraw/zinc/42/06/39/1037420639.db2.gz PHXRWBIJVFFLEB-QFBILLFUSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000462803023 1037420661 /nfs/dbraw/zinc/42/06/61/1037420661.db2.gz PHXRWBIJVFFLEB-QFBILLFUSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000462803023 1037420692 /nfs/dbraw/zinc/42/06/92/1037420692.db2.gz PHXRWBIJVFFLEB-QFBILLFUSA-N 2 1 346.515 3.804 20 0 EHADMP CCC[N@H+]1CC[C@@H](CNCc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000892668030 1037487598 /nfs/dbraw/zinc/48/75/98/1037487598.db2.gz HCRBYBAWUXUADI-HNNXBMFYSA-N 2 1 345.512 3.640 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000532510034 1037535945 /nfs/dbraw/zinc/53/59/45/1037535945.db2.gz JLURSVOHZHKJIO-VDZJLULYSA-N 2 1 334.479 3.792 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494651 1037542060 /nfs/dbraw/zinc/54/20/60/1037542060.db2.gz QILBFNBVCQQFMK-LPHOPBHVSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494651 1037542067 /nfs/dbraw/zinc/54/20/67/1037542067.db2.gz QILBFNBVCQQFMK-LPHOPBHVSA-N 2 1 336.545 3.755 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000532522727 1037548922 /nfs/dbraw/zinc/54/89/22/1037548922.db2.gz FAQAHMMRERDEDI-MDZRGWNJSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000532522727 1037548935 /nfs/dbraw/zinc/54/89/35/1037548935.db2.gz FAQAHMMRERDEDI-MDZRGWNJSA-N 2 1 331.504 3.599 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115546289 1037585010 /nfs/dbraw/zinc/58/50/10/1037585010.db2.gz XBDGBTWOEWSVHK-KRWDZBQOSA-N 2 1 326.484 3.679 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546289 1037585019 /nfs/dbraw/zinc/58/50/19/1037585019.db2.gz XBDGBTWOEWSVHK-KRWDZBQOSA-N 2 1 326.484 3.679 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546289 1037585035 /nfs/dbraw/zinc/58/50/35/1037585035.db2.gz XBDGBTWOEWSVHK-KRWDZBQOSA-N 2 1 326.484 3.679 20 0 EHADMP COCCCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573618973 1037630943 /nfs/dbraw/zinc/63/09/43/1037630943.db2.gz VRNXVZOSKLWBTP-UHFFFAOYSA-N 2 1 338.495 3.761 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@@H](C)C1 ZINC000540171374 1037639759 /nfs/dbraw/zinc/63/97/59/1037639759.db2.gz VDWLJNXCORRXQY-FPOVZHCZSA-N 2 1 346.559 3.982 20 0 EHADMP C[C@@H]([NH2+]CC1(C[NH2+][C@H](C)c2ccsc2)COC1)c1ccsc1 ZINC000669938595 1037664523 /nfs/dbraw/zinc/66/45/23/1037664523.db2.gz SJIMXPZRSFLIHM-ZIAGYGMSSA-N 2 1 336.526 3.828 20 0 EHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168215246 1037674972 /nfs/dbraw/zinc/67/49/72/1037674972.db2.gz OADLXROCYKXFIW-OCBVQYKSSA-N 2 1 344.547 3.635 20 0 EHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168215246 1037674985 /nfs/dbraw/zinc/67/49/85/1037674985.db2.gz OADLXROCYKXFIW-OCBVQYKSSA-N 2 1 344.547 3.635 20 0 EHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168215246 1037674998 /nfs/dbraw/zinc/67/49/98/1037674998.db2.gz OADLXROCYKXFIW-OCBVQYKSSA-N 2 1 344.547 3.635 20 0 EHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168215246 1037675011 /nfs/dbraw/zinc/67/50/11/1037675011.db2.gz OADLXROCYKXFIW-OCBVQYKSSA-N 2 1 344.547 3.635 20 0 EHADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000463136878 1037799870 /nfs/dbraw/zinc/79/98/70/1037799870.db2.gz HTAQXIUKMMIWCO-SESVDKBCSA-N 2 1 331.548 3.605 20 0 EHADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463139038 1037801303 /nfs/dbraw/zinc/80/13/03/1037801303.db2.gz BTLNKSQUDXQKEG-UNMCSNQZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237433 1037919189 /nfs/dbraw/zinc/91/91/89/1037919189.db2.gz NFBAREGCPQIEQF-NRSPTQNISA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237433 1037919207 /nfs/dbraw/zinc/91/92/07/1037919207.db2.gz NFBAREGCPQIEQF-NRSPTQNISA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237433 1037919221 /nfs/dbraw/zinc/91/92/21/1037919221.db2.gz NFBAREGCPQIEQF-NRSPTQNISA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463237433 1037919255 /nfs/dbraw/zinc/91/92/55/1037919255.db2.gz NFBAREGCPQIEQF-NRSPTQNISA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237433 1037919276 /nfs/dbraw/zinc/91/92/76/1037919276.db2.gz NFBAREGCPQIEQF-NRSPTQNISA-N 2 1 343.559 3.750 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000183045642 1037925727 /nfs/dbraw/zinc/92/57/27/1037925727.db2.gz YURYWVGPGJVSHX-QGZVFWFLSA-N 2 1 336.479 3.936 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000183045642 1037925744 /nfs/dbraw/zinc/92/57/44/1037925744.db2.gz YURYWVGPGJVSHX-QGZVFWFLSA-N 2 1 336.479 3.936 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000120144135 1037927265 /nfs/dbraw/zinc/92/72/65/1037927265.db2.gz ZLTVSNGPGXCPRM-QGZVFWFLSA-N 2 1 339.483 3.818 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000120144135 1037927272 /nfs/dbraw/zinc/92/72/72/1037927272.db2.gz ZLTVSNGPGXCPRM-QGZVFWFLSA-N 2 1 339.483 3.818 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000463247026 1037932591 /nfs/dbraw/zinc/93/25/91/1037932591.db2.gz SWRIYYBLWWDVRG-NSISKUIASA-N 2 1 336.479 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000463247026 1037932598 /nfs/dbraw/zinc/93/25/98/1037932598.db2.gz SWRIYYBLWWDVRG-NSISKUIASA-N 2 1 336.479 3.502 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000125501711 1038337081 /nfs/dbraw/zinc/33/70/81/1038337081.db2.gz PERJOARTUWXEEX-KRWDZBQOSA-N 2 1 327.428 3.538 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000125501711 1038337093 /nfs/dbraw/zinc/33/70/93/1038337093.db2.gz PERJOARTUWXEEX-KRWDZBQOSA-N 2 1 327.428 3.538 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000125526951 1038339743 /nfs/dbraw/zinc/33/97/43/1038339743.db2.gz RAAFNUFILPTDJA-GOSISDBHSA-N 2 1 343.446 3.706 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000125526951 1038339758 /nfs/dbraw/zinc/33/97/58/1038339758.db2.gz RAAFNUFILPTDJA-GOSISDBHSA-N 2 1 343.446 3.706 20 0 EHADMP CC(C)c1nccn1Cc1cccc(N[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000538527708 1038360136 /nfs/dbraw/zinc/36/01/36/1038360136.db2.gz XTCLUGUFTICQES-APWZRJJASA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000538527708 1038360147 /nfs/dbraw/zinc/36/01/47/1038360147.db2.gz XTCLUGUFTICQES-APWZRJJASA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000538527708 1038360158 /nfs/dbraw/zinc/36/01/58/1038360158.db2.gz XTCLUGUFTICQES-APWZRJJASA-N 2 1 326.488 3.807 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2nccn2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000893224314 1038575538 /nfs/dbraw/zinc/57/55/38/1038575538.db2.gz CJISGVGUFVKQHS-PKOBYXMFSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000539039225 1038649397 /nfs/dbraw/zinc/64/93/97/1038649397.db2.gz AGJMJPYGFUMHHZ-XUJVJEKNSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000539039225 1038649401 /nfs/dbraw/zinc/64/94/01/1038649401.db2.gz AGJMJPYGFUMHHZ-XUJVJEKNSA-N 2 1 343.284 3.592 20 0 EHADMP CC[N@@H+](CCC1CCN(CC[NH+]2CCC(C)CC2)CC1)CC(C)C ZINC000539096352 1038682557 /nfs/dbraw/zinc/68/25/57/1038682557.db2.gz FKIUVFQBOMWQJL-UHFFFAOYSA-N 2 1 337.596 3.798 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CCN2CCC(C)CC2)CC1)CC(C)C ZINC000539096352 1038682564 /nfs/dbraw/zinc/68/25/64/1038682564.db2.gz FKIUVFQBOMWQJL-UHFFFAOYSA-N 2 1 337.596 3.798 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCN2CCC(C)CC2)CC1)CC(C)C ZINC000539096352 1038682569 /nfs/dbraw/zinc/68/25/69/1038682569.db2.gz FKIUVFQBOMWQJL-UHFFFAOYSA-N 2 1 337.596 3.798 20 0 EHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000668817848 1038790584 /nfs/dbraw/zinc/79/05/84/1038790584.db2.gz AWBAVPKUYWCROT-LPHOPBHVSA-N 2 1 348.506 3.725 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000477856143 1038963894 /nfs/dbraw/zinc/96/38/94/1038963894.db2.gz XOXCQLUSXUMARA-QIJUGHKUSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C2)[nH+]1 ZINC000488312331 1039076943 /nfs/dbraw/zinc/07/69/43/1039076943.db2.gz JWSWTOHXDDHPEE-HNNXBMFYSA-N 2 1 338.430 3.944 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)[nH+]1 ZINC000488312331 1039076952 /nfs/dbraw/zinc/07/69/52/1039076952.db2.gz JWSWTOHXDDHPEE-HNNXBMFYSA-N 2 1 338.430 3.944 20 0 EHADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000480080010 1039117436 /nfs/dbraw/zinc/11/74/36/1039117436.db2.gz KREJGZALTWJAQR-PZJWPPBQSA-N 2 1 331.548 3.605 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438340 1039182170 /nfs/dbraw/zinc/18/21/70/1039182170.db2.gz YBLCBUCJLNYHPA-UXPWSPDFSA-N 2 1 348.556 3.527 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438340 1039182177 /nfs/dbraw/zinc/18/21/77/1039182177.db2.gz YBLCBUCJLNYHPA-UXPWSPDFSA-N 2 1 348.556 3.527 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCc5cccnc54)C[C@@H]3C2)cc1 ZINC000898517127 1039185456 /nfs/dbraw/zinc/18/54/56/1039185456.db2.gz JKQYGUSWILZOBN-DXBBTUNJSA-N 2 1 347.506 3.959 20 0 EHADMP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518748 1039190501 /nfs/dbraw/zinc/19/05/01/1039190501.db2.gz KXPRTZDVXXNIDQ-XIKSMUEASA-N 2 1 330.541 3.628 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CS1 ZINC000898520393 1039192308 /nfs/dbraw/zinc/19/23/08/1039192308.db2.gz XNOWNWQUXDNOOK-PKOFMYQESA-N 2 1 330.541 3.771 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)CC[N@H+]1C ZINC000480218164 1039318643 /nfs/dbraw/zinc/31/86/43/1039318643.db2.gz NVNDOIPRVRIONW-AVRDEDQJSA-N 2 1 349.522 3.822 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186359746 1039348752 /nfs/dbraw/zinc/34/87/52/1039348752.db2.gz ZRCITQXYBMISFX-MRXNPFEDSA-N 2 1 332.488 3.686 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186359746 1039348760 /nfs/dbraw/zinc/34/87/60/1039348760.db2.gz ZRCITQXYBMISFX-MRXNPFEDSA-N 2 1 332.488 3.686 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCCC[NH+](C)C)c1 ZINC000552546060 1039363937 /nfs/dbraw/zinc/36/39/37/1039363937.db2.gz OGNAIAQEEFDNEN-UHFFFAOYSA-N 2 1 342.487 3.725 20 0 EHADMP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000488730990 1039370911 /nfs/dbraw/zinc/37/09/11/1039370911.db2.gz LIRJCMDZAYFTPG-IBGZPJMESA-N 2 1 347.409 3.677 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000549464018 1039406793 /nfs/dbraw/zinc/40/67/93/1039406793.db2.gz CSXMWFJYDCZUJI-GOSISDBHSA-N 2 1 329.532 3.931 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000549464018 1039406804 /nfs/dbraw/zinc/40/68/04/1039406804.db2.gz CSXMWFJYDCZUJI-GOSISDBHSA-N 2 1 329.532 3.931 20 0 EHADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000549464018 1039406815 /nfs/dbraw/zinc/40/68/15/1039406815.db2.gz CSXMWFJYDCZUJI-GOSISDBHSA-N 2 1 329.532 3.931 20 0 EHADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000549464018 1039406826 /nfs/dbraw/zinc/40/68/26/1039406826.db2.gz CSXMWFJYDCZUJI-GOSISDBHSA-N 2 1 329.532 3.931 20 0 EHADMP CCc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)[nH]1 ZINC000660173727 1039577394 /nfs/dbraw/zinc/57/73/94/1039577394.db2.gz YNPGGDXGYGJITN-MRXNPFEDSA-N 2 1 335.540 3.508 20 0 EHADMP CCc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)[nH]1 ZINC000660173727 1039577412 /nfs/dbraw/zinc/57/74/12/1039577412.db2.gz YNPGGDXGYGJITN-MRXNPFEDSA-N 2 1 335.540 3.508 20 0 EHADMP c1c2ccncc2sc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000667709011 1039763466 /nfs/dbraw/zinc/76/34/66/1039763466.db2.gz RADKRSDYXVMZRI-MAUKXSAKSA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709011 1039763482 /nfs/dbraw/zinc/76/34/82/1039763482.db2.gz RADKRSDYXVMZRI-MAUKXSAKSA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667709011 1039763500 /nfs/dbraw/zinc/76/35/00/1039763500.db2.gz RADKRSDYXVMZRI-MAUKXSAKSA-N 2 1 327.497 3.745 20 0 EHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660254453 1040122282 /nfs/dbraw/zinc/12/22/82/1040122282.db2.gz SAQHUAGFIPKEQY-RBUKOAKNSA-N 2 1 346.540 3.631 20 0 EHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660254453 1040122290 /nfs/dbraw/zinc/12/22/90/1040122290.db2.gz SAQHUAGFIPKEQY-RBUKOAKNSA-N 2 1 346.540 3.631 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(F)nc1 ZINC000189126108 1040178965 /nfs/dbraw/zinc/17/89/65/1040178965.db2.gz LNBDZWFPZXMXOU-UHFFFAOYSA-N 2 1 339.414 3.736 20 0 EHADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463037 1040262021 /nfs/dbraw/zinc/26/20/21/1040262021.db2.gz HUYMYWWJNPKOCO-GHTZIAJQSA-N 2 1 336.479 3.794 20 0 EHADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000663882255 1040278878 /nfs/dbraw/zinc/27/88/78/1040278878.db2.gz WKBKZLUMBQHZAY-IBGZPJMESA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000663882255 1040278893 /nfs/dbraw/zinc/27/88/93/1040278893.db2.gz WKBKZLUMBQHZAY-IBGZPJMESA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000663882255 1040278913 /nfs/dbraw/zinc/27/89/13/1040278913.db2.gz WKBKZLUMBQHZAY-IBGZPJMESA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](CCC(C)C)C3CC3)CC2)nc(C)[nH+]1 ZINC000555225974 1040311301 /nfs/dbraw/zinc/31/13/01/1040311301.db2.gz HUVXAIHXSZOISG-IBGZPJMESA-N 2 1 330.520 3.867 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000490056011 1040326382 /nfs/dbraw/zinc/32/63/82/1040326382.db2.gz CVGNFIPREMVWPZ-JOCHJYFZSA-N 2 1 336.479 3.938 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1)Cc1ccccc1 ZINC000486695069 1040346084 /nfs/dbraw/zinc/34/60/84/1040346084.db2.gz FTQOTSJFRRILIU-UHFFFAOYSA-N 2 1 325.431 3.919 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CC4)[C@H]3C2)cc1 ZINC000512648474 1040388221 /nfs/dbraw/zinc/38/82/21/1040388221.db2.gz NIUFBQVEQHBOCU-FDFHNCONSA-N 2 1 342.527 3.693 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000924866903 1040418128 /nfs/dbraw/zinc/41/81/28/1040418128.db2.gz BSKKSRBBAIXGAH-YZGWKJHDSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000924866903 1040418140 /nfs/dbraw/zinc/41/81/40/1040418140.db2.gz BSKKSRBBAIXGAH-YZGWKJHDSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@H]34)C2)c1 ZINC000924866903 1040418145 /nfs/dbraw/zinc/41/81/45/1040418145.db2.gz BSKKSRBBAIXGAH-YZGWKJHDSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@H]34)C2)c1 ZINC000924866903 1040418158 /nfs/dbraw/zinc/41/81/58/1040418158.db2.gz BSKKSRBBAIXGAH-YZGWKJHDSA-N 2 1 347.572 3.567 20 0 EHADMP CC[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000512663216 1040426424 /nfs/dbraw/zinc/42/64/24/1040426424.db2.gz IFDZNJSXQLJNLW-QHAWAJNXSA-N 2 1 343.559 3.671 20 0 EHADMP Cc1cc(CNc2nccc3c(N)cccc32)cc(N2CCCC2)[nH+]1 ZINC000663920252 1040430958 /nfs/dbraw/zinc/43/09/58/1040430958.db2.gz CFXWIDNPFLGBLF-UHFFFAOYSA-N 2 1 333.439 3.733 20 0 EHADMP CCCC[N@H+](C)CC1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645130390 1040676701 /nfs/dbraw/zinc/67/67/01/1040676701.db2.gz VRUILQRAMXFGJI-UHFFFAOYSA-N 2 1 329.492 3.523 20 0 EHADMP CCCC[N@@H+](C)CC1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645130390 1040676714 /nfs/dbraw/zinc/67/67/14/1040676714.db2.gz VRUILQRAMXFGJI-UHFFFAOYSA-N 2 1 329.492 3.523 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000248217419 1040720513 /nfs/dbraw/zinc/72/05/13/1040720513.db2.gz ZWLFUUYQPZXCIJ-DOXZYTNZSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000248217419 1040720528 /nfs/dbraw/zinc/72/05/28/1040720528.db2.gz ZWLFUUYQPZXCIJ-DOXZYTNZSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000152266146 1040737928 /nfs/dbraw/zinc/73/79/28/1040737928.db2.gz YPZPNFXGLBFIKN-XLIONFOSSA-N 2 1 344.499 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000152266146 1040737941 /nfs/dbraw/zinc/73/79/41/1040737941.db2.gz YPZPNFXGLBFIKN-XLIONFOSSA-N 2 1 344.499 3.968 20 0 EHADMP COCCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364362891 1041000688 /nfs/dbraw/zinc/00/06/88/1041000688.db2.gz XBKGSGGBZGMXQF-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000629570679 1041100800 /nfs/dbraw/zinc/10/08/00/1041100800.db2.gz GEUWDFAFGKLGGD-UHFFFAOYSA-N 2 1 347.528 3.601 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001169093087 1132651846 /nfs/dbraw/zinc/65/18/46/1132651846.db2.gz FLQATVANHAGZLY-WISYIIOYSA-N 2 1 329.307 3.786 20 0 EHADMP COCCc1ccnc(NCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000512869587 1041135517 /nfs/dbraw/zinc/13/55/17/1041135517.db2.gz VGYCYLPNTOZECD-UHFFFAOYSA-N 2 1 341.499 3.841 20 0 EHADMP COCCc1cc[nH+]c(NCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000512869587 1041135524 /nfs/dbraw/zinc/13/55/24/1041135524.db2.gz VGYCYLPNTOZECD-UHFFFAOYSA-N 2 1 341.499 3.841 20 0 EHADMP COCCc1cc[nH+]c(NCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000512869587 1041135536 /nfs/dbraw/zinc/13/55/36/1041135536.db2.gz VGYCYLPNTOZECD-UHFFFAOYSA-N 2 1 341.499 3.841 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3Br)C2)CC1 ZINC000555803566 1041171006 /nfs/dbraw/zinc/17/10/06/1041171006.db2.gz ZOEAZEGPVCAXRF-HNNXBMFYSA-N 2 1 337.305 3.613 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000194010947 1041191219 /nfs/dbraw/zinc/19/12/19/1041191219.db2.gz GUEIGCAIAMYVBJ-NXWXRZEISA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000194010947 1041191229 /nfs/dbraw/zinc/19/12/29/1041191229.db2.gz GUEIGCAIAMYVBJ-NXWXRZEISA-N 2 1 346.540 3.507 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001169093087 1132651850 /nfs/dbraw/zinc/65/18/50/1132651850.db2.gz FLQATVANHAGZLY-WISYIIOYSA-N 2 1 329.307 3.786 20 0 EHADMP FC(F)(F)Oc1ccc2c(N[C@H]3CCn4cc[nH+]c4C3)cc[nH+]c2c1 ZINC000899875422 1041263388 /nfs/dbraw/zinc/26/33/88/1041263388.db2.gz VKLVONAFACUULZ-NSHDSACASA-N 2 1 348.328 3.757 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000709496874 1041271149 /nfs/dbraw/zinc/27/11/49/1041271149.db2.gz ZBCJSPIRHQNACC-FQEVSTJZSA-N 3 1 341.543 3.505 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000390714324 1041354176 /nfs/dbraw/zinc/35/41/76/1041354176.db2.gz XQZZRQXNQLIVDR-AABGKKOBSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000390714324 1041354188 /nfs/dbraw/zinc/35/41/88/1041354188.db2.gz XQZZRQXNQLIVDR-AABGKKOBSA-N 2 1 330.516 3.692 20 0 EHADMP C[N@@H+](Cc1cc2cnccc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000651639282 1041826914 /nfs/dbraw/zinc/82/69/14/1041826914.db2.gz YCGOXOBVSLDLCM-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP C[N@H+](Cc1cc2cnccc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000651639282 1041826919 /nfs/dbraw/zinc/82/69/19/1041826919.db2.gz YCGOXOBVSLDLCM-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cnccc2o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651639282 1041826924 /nfs/dbraw/zinc/82/69/24/1041826924.db2.gz YCGOXOBVSLDLCM-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cnccc2o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651639282 1041826928 /nfs/dbraw/zinc/82/69/28/1041826928.db2.gz YCGOXOBVSLDLCM-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)C1 ZINC000652349672 1042408881 /nfs/dbraw/zinc/40/88/81/1042408881.db2.gz YOLNWDLOQNMRAM-JKSBSHDWSA-N 2 1 348.490 3.975 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@H]1CC[NH3+] ZINC000652355932 1042415636 /nfs/dbraw/zinc/41/56/36/1042415636.db2.gz NHOLCAWQAHFSLJ-LPHOPBHVSA-N 2 1 325.456 3.823 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000388575980 1042524382 /nfs/dbraw/zinc/52/43/82/1042524382.db2.gz IBQAPIWXXQRGON-UONOGXRCSA-N 2 1 327.310 3.698 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000388575980 1042524386 /nfs/dbraw/zinc/52/43/86/1042524386.db2.gz IBQAPIWXXQRGON-UONOGXRCSA-N 2 1 327.310 3.698 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662150789 1042546450 /nfs/dbraw/zinc/54/64/50/1042546450.db2.gz BBZLSCOQUSOREG-OXJNMPFZSA-N 2 1 330.516 3.576 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662150789 1042546453 /nfs/dbraw/zinc/54/64/53/1042546453.db2.gz BBZLSCOQUSOREG-OXJNMPFZSA-N 2 1 330.516 3.576 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC1CCCC1 ZINC000165123124 1042620463 /nfs/dbraw/zinc/62/04/63/1042620463.db2.gz KGEODBHWMMLHRY-DOTOQJQBSA-N 2 1 332.488 3.589 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC1CCCC1 ZINC000165123124 1042620464 /nfs/dbraw/zinc/62/04/64/1042620464.db2.gz KGEODBHWMMLHRY-DOTOQJQBSA-N 2 1 332.488 3.589 20 0 EHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278861002 1042624965 /nfs/dbraw/zinc/62/49/65/1042624965.db2.gz AXWZGPWFQJCNJF-ZIAGYGMSSA-N 2 1 333.863 3.848 20 0 EHADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662249960 1042633917 /nfs/dbraw/zinc/63/39/17/1042633917.db2.gz WRXAMKJNPPNOAD-UHFFFAOYSA-N 2 1 332.394 3.566 20 0 EHADMP c1csc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)co2)c1 ZINC000662293862 1042663317 /nfs/dbraw/zinc/66/33/17/1042663317.db2.gz UFLBHARUDYXHQU-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP FC(F)n1c2ccccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292613 1042663681 /nfs/dbraw/zinc/66/36/81/1042663681.db2.gz OWVVEPGQABJCCL-OAHLLOKOSA-N 2 1 348.441 3.643 20 0 EHADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662291971 1042664961 /nfs/dbraw/zinc/66/49/61/1042664961.db2.gz BGPVOXIDZMNEOF-AWEZNQCLSA-N 2 1 342.405 3.639 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313431 1042682716 /nfs/dbraw/zinc/68/27/16/1042682716.db2.gz NRJGADNCKNKLJO-VQIMIIECSA-N 2 1 331.504 3.588 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466418 1042888887 /nfs/dbraw/zinc/88/88/87/1042888887.db2.gz SRSOFVUZAZROOV-YJBOKZPZSA-N 2 1 332.536 3.719 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466418 1042888892 /nfs/dbraw/zinc/88/88/92/1042888892.db2.gz SRSOFVUZAZROOV-YJBOKZPZSA-N 2 1 332.536 3.719 20 0 EHADMP COc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471102 1042897975 /nfs/dbraw/zinc/89/79/75/1042897975.db2.gz WLOKEZRHKVMYRC-XLIONFOSSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471102 1042897979 /nfs/dbraw/zinc/89/79/79/1042897979.db2.gz WLOKEZRHKVMYRC-XLIONFOSSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471102 1042897983 /nfs/dbraw/zinc/89/79/83/1042897983.db2.gz WLOKEZRHKVMYRC-XLIONFOSSA-N 2 1 344.499 3.621 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470277 1042898833 /nfs/dbraw/zinc/89/88/33/1042898833.db2.gz UJUISZCVBDRENG-GXTWGEPZSA-N 2 1 326.406 3.877 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470277 1042898835 /nfs/dbraw/zinc/89/88/35/1042898835.db2.gz UJUISZCVBDRENG-GXTWGEPZSA-N 2 1 326.406 3.877 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)(F)F)c1 ZINC000278906660 1042902080 /nfs/dbraw/zinc/90/20/80/1042902080.db2.gz GHJMBRLWQWCLEU-QWHCGFSZSA-N 2 1 339.361 3.695 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001167826914 1042962651 /nfs/dbraw/zinc/96/26/51/1042962651.db2.gz RVFUICYZOGVAFK-FCEUIQTBSA-N 3 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167826914 1042962658 /nfs/dbraw/zinc/96/26/58/1042962658.db2.gz RVFUICYZOGVAFK-FCEUIQTBSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167826914 1042962663 /nfs/dbraw/zinc/96/26/63/1042962663.db2.gz RVFUICYZOGVAFK-FCEUIQTBSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001167826914 1042962670 /nfs/dbraw/zinc/96/26/70/1042962670.db2.gz RVFUICYZOGVAFK-FCEUIQTBSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001167826914 1042962675 /nfs/dbraw/zinc/96/26/75/1042962675.db2.gz RVFUICYZOGVAFK-FCEUIQTBSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001167840422 1043085612 /nfs/dbraw/zinc/08/56/12/1043085612.db2.gz GOUNUCASSYQVSM-SFHVURJKSA-N 2 1 328.504 3.815 20 0 EHADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278990407 1043149870 /nfs/dbraw/zinc/14/98/70/1043149870.db2.gz QAADGJIABSXYDT-IAGOWNOFSA-N 2 1 327.472 3.831 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000344080315 1043217811 /nfs/dbraw/zinc/21/78/11/1043217811.db2.gz UWNHOHBOIAZFRR-PMACEKPBSA-N 2 1 332.532 3.990 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107211 1043259057 /nfs/dbraw/zinc/25/90/57/1043259057.db2.gz QGUMFBICEQTBSO-NEPJUHHUSA-N 2 1 331.323 3.811 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512213052 1044171523 /nfs/dbraw/zinc/17/15/23/1044171523.db2.gz NLJYQWNUCRTTTG-ROUUACIJSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512213052 1044171532 /nfs/dbraw/zinc/17/15/32/1044171532.db2.gz NLJYQWNUCRTTTG-ROUUACIJSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512213052 1044171542 /nfs/dbraw/zinc/17/15/42/1044171542.db2.gz NLJYQWNUCRTTTG-ROUUACIJSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512213052 1044171548 /nfs/dbraw/zinc/17/15/48/1044171548.db2.gz NLJYQWNUCRTTTG-ROUUACIJSA-N 2 1 346.563 3.631 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000153839935 1125666717 /nfs/dbraw/zinc/66/67/17/1125666717.db2.gz RRRRFLPCWRGUEI-WERVVEIQSA-N 2 1 343.559 3.968 20 0 EHADMP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(Cl)s1 ZINC000154535768 1125727296 /nfs/dbraw/zinc/72/72/96/1125727296.db2.gz XWAVDOKLVPBIRY-OAHLLOKOSA-N 2 1 343.968 3.860 20 0 EHADMP Cc1noc(C)c1CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000339662126 1126846834 /nfs/dbraw/zinc/84/68/34/1126846834.db2.gz HKXSHQJXFCESPU-OXJNMPFZSA-N 2 1 341.499 3.819 20 0 EHADMP Cc1noc(C)c1CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000339662126 1126846836 /nfs/dbraw/zinc/84/68/36/1126846836.db2.gz HKXSHQJXFCESPU-OXJNMPFZSA-N 2 1 341.499 3.819 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727083 1126860195 /nfs/dbraw/zinc/86/01/95/1126860195.db2.gz DZDJCGIDGGQHEC-SFHVURJKSA-N 2 1 331.548 3.614 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358831 1126929693 /nfs/dbraw/zinc/92/96/93/1126929693.db2.gz UEOPHZGMWNCUNN-CZUORRHYSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374973 1126938682 /nfs/dbraw/zinc/93/86/82/1126938682.db2.gz XQIHKVPDSXQYPB-KBPBESRZSA-N 2 1 344.421 3.935 20 0 EHADMP CC[N@@H+](CCn1ccnc1)Cc1cc(C)c(Br)cc1C ZINC001238284038 1126943020 /nfs/dbraw/zinc/94/30/20/1126943020.db2.gz HDRIBXKXTGEXJR-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1(C)C ZINC000623419177 1126950368 /nfs/dbraw/zinc/95/03/68/1126950368.db2.gz YGGBVHCMGZVYAG-AZUAARDMSA-N 2 1 330.516 3.933 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623471568 1126963007 /nfs/dbraw/zinc/96/30/07/1126963007.db2.gz FCZCIKUCEWTNIR-MJGOQNOKSA-N 2 1 348.494 3.953 20 0 EHADMP C[N@H+]1CC[C@@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC1(C)C ZINC000623497117 1126971123 /nfs/dbraw/zinc/97/11/23/1126971123.db2.gz XYNKHALDDYILOE-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC000623497117 1126971126 /nfs/dbraw/zinc/97/11/26/1126971126.db2.gz XYNKHALDDYILOE-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1(C)C ZINC000623497117 1126971129 /nfs/dbraw/zinc/97/11/29/1126971129.db2.gz XYNKHALDDYILOE-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497117 1126971132 /nfs/dbraw/zinc/97/11/32/1126971132.db2.gz XYNKHALDDYILOE-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623561875 1126986449 /nfs/dbraw/zinc/98/64/49/1126986449.db2.gz AJBTZXNOCXPWTQ-HZPDHXFCSA-N 2 1 335.923 3.629 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623799001 1127181390 /nfs/dbraw/zinc/18/13/90/1127181390.db2.gz LRHUURAIHKKYTK-JKSUJKDBSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623799001 1127181393 /nfs/dbraw/zinc/18/13/93/1127181393.db2.gz LRHUURAIHKKYTK-JKSUJKDBSA-N 2 1 345.314 3.879 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2C)C1 ZINC000623866939 1127206474 /nfs/dbraw/zinc/20/64/74/1127206474.db2.gz KICVBEINMNVQHI-KGLIPLIRSA-N 2 1 325.294 3.750 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000623899068 1127209525 /nfs/dbraw/zinc/20/95/25/1127209525.db2.gz ZPSPWTDSNJMJDE-KCQAQPDRSA-N 2 1 325.294 3.891 20 0 EHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000623886036 1127210785 /nfs/dbraw/zinc/21/07/85/1127210785.db2.gz PEMXMSUZVMCYOQ-QGZVFWFLSA-N 2 1 345.512 3.641 20 0 EHADMP c1nc2c(s1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623974389 1127226304 /nfs/dbraw/zinc/22/63/04/1127226304.db2.gz DEEMAENWEIHYAP-IRXDYDNUSA-N 2 1 327.497 3.632 20 0 EHADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000624121129 1127255406 /nfs/dbraw/zinc/25/54/06/1127255406.db2.gz OPEUZRCKFCLBED-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000361365375 1127348691 /nfs/dbraw/zinc/34/86/91/1127348691.db2.gz JQDUGUSPXDEEBV-ZIBCJSCZSA-N 2 1 342.527 3.977 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000361365375 1127348694 /nfs/dbraw/zinc/34/86/94/1127348694.db2.gz JQDUGUSPXDEEBV-ZIBCJSCZSA-N 2 1 342.527 3.977 20 0 EHADMP Clc1ccc(O[C@H]2CC[N@@H+](CCCn3ccnc3)C2)cc1Cl ZINC000182855726 1127350650 /nfs/dbraw/zinc/35/06/50/1127350650.db2.gz FKMPJYCLRSQNCT-AWEZNQCLSA-N 2 1 340.254 3.733 20 0 EHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000184496813 1127406757 /nfs/dbraw/zinc/40/67/57/1127406757.db2.gz XOAWLTDEBSJLJR-ZWKOTPCHSA-N 2 1 343.515 3.729 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000368062181 1127413092 /nfs/dbraw/zinc/41/30/92/1127413092.db2.gz RCQCBLOPFVIOCJ-KCLUMXDGSA-N 2 1 330.516 3.690 20 0 EHADMP COc1ccccc1CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687915 1127430109 /nfs/dbraw/zinc/43/01/09/1127430109.db2.gz WNHJMGDCJSQNJP-HKUYNNGSSA-N 2 1 330.516 3.870 20 0 EHADMP CCOc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185701293 1127430275 /nfs/dbraw/zinc/43/02/75/1127430275.db2.gz SRFAGOIGECRNRS-ZWKOTPCHSA-N 2 1 346.515 3.707 20 0 EHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380275222 1127435586 /nfs/dbraw/zinc/43/55/86/1127435586.db2.gz AKBKDLZUJIFNKW-HLLBOEOZSA-N 2 1 337.305 3.832 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000765119915 1127575664 /nfs/dbraw/zinc/57/56/64/1127575664.db2.gz UTWKUDKYZCCACK-IAGOWNOFSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000765238849 1127587249 /nfs/dbraw/zinc/58/72/49/1127587249.db2.gz MKMSRKXIBAEGDO-QHCPKHFHSA-N 2 1 349.522 3.520 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1 ZINC000765257203 1127590464 /nfs/dbraw/zinc/59/04/64/1127590464.db2.gz XTFDKHOEYVPAMV-IRXDYDNUSA-N 2 1 326.488 3.706 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cncc(F)c1 ZINC000386325552 1127662505 /nfs/dbraw/zinc/66/25/05/1127662505.db2.gz LKCXZECLAQYZCH-STRKUORWSA-N 2 1 339.458 3.782 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000624308812 1127891566 /nfs/dbraw/zinc/89/15/66/1127891566.db2.gz YGPJOCIQXWYFBU-IKGGRYGDSA-N 2 1 326.406 3.754 20 0 EHADMP c1ccc(OCc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166253974 1128090430 /nfs/dbraw/zinc/09/04/30/1128090430.db2.gz SVFUWWHKXZDPMU-NHCUHLMSSA-N 2 1 336.479 3.982 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168585321 1128125592 /nfs/dbraw/zinc/12/55/92/1128125592.db2.gz HNXLTKMOPPLJNC-UYAOXDASSA-N 2 1 334.504 3.627 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741392 1128178067 /nfs/dbraw/zinc/17/80/67/1128178067.db2.gz IHRUFEBHIFXSQD-ZNMIVQPWSA-N 2 1 331.460 3.552 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741392 1128178071 /nfs/dbraw/zinc/17/80/71/1128178071.db2.gz IHRUFEBHIFXSQD-ZNMIVQPWSA-N 2 1 331.460 3.552 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000671759957 1128246564 /nfs/dbraw/zinc/24/65/64/1128246564.db2.gz CDUBKBOJZAHATD-LZWOXQAQSA-N 2 1 343.471 3.837 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671759956 1128246615 /nfs/dbraw/zinc/24/66/15/1128246615.db2.gz CDUBKBOJZAHATD-DZKIICNBSA-N 2 1 343.471 3.837 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)C(C)C ZINC000186394985 1128422285 /nfs/dbraw/zinc/42/22/85/1128422285.db2.gz LLJVEXYKCGXEKD-UHFFFAOYSA-N 2 1 334.504 3.930 20 0 EHADMP FC(F)Sc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843125209 1128510660 /nfs/dbraw/zinc/51/06/60/1128510660.db2.gz OCNLEZUKHFXDCZ-GJZGRUSLSA-N 2 1 326.456 3.823 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ncco1 ZINC000903455562 1128516121 /nfs/dbraw/zinc/51/61/21/1128516121.db2.gz MLOVLPIEUGZBDV-YSHGAJCASA-N 2 1 325.456 3.626 20 0 EHADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC000428840016 1128705390 /nfs/dbraw/zinc/70/53/90/1128705390.db2.gz NFMHVHYRZHDWJG-FQEVSTJZSA-N 2 1 331.548 3.874 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000620857500 1128821879 /nfs/dbraw/zinc/82/18/79/1128821879.db2.gz ABYAATVFDRVIHX-UHFFFAOYSA-N 2 1 333.479 3.873 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3CCCC[C@H]3C)cc2)CC1 ZINC001648814379 1120046776 /nfs/dbraw/zinc/04/67/76/1120046776.db2.gz KKICHGYNLBZVMP-DENIHFKCSA-N 2 1 343.559 3.740 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC(C(C)C)C(C)C)CC1 ZINC001648814639 1120046788 /nfs/dbraw/zinc/04/67/88/1120046788.db2.gz NOMZFHKAUGEGIW-UHFFFAOYSA-N 2 1 345.575 3.842 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001648930721 1120237155 /nfs/dbraw/zinc/23/71/55/1120237155.db2.gz CAGRPMZZURCNRK-SFHVURJKSA-N 2 1 346.559 3.863 20 0 EHADMP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(C)c1O ZINC000190397115 1120636227 /nfs/dbraw/zinc/63/62/27/1120636227.db2.gz TVTIBHWGRKEWCI-UHFFFAOYSA-N 2 1 338.495 3.806 20 0 EHADMP Cc1ccccc1[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000494980720 1120922098 /nfs/dbraw/zinc/92/20/98/1120922098.db2.gz ZZFWIERHWAIVME-NRFANRHFSA-N 2 1 343.559 3.842 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cnc2cc(C)c(C)cc21 ZINC000762072555 1121091267 /nfs/dbraw/zinc/09/12/67/1121091267.db2.gz FBGQZKXCLPIRKI-UHFFFAOYSA-N 2 1 339.487 3.782 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cnc2cc(C)c(C)cc21 ZINC000762072555 1121091275 /nfs/dbraw/zinc/09/12/75/1121091275.db2.gz FBGQZKXCLPIRKI-UHFFFAOYSA-N 2 1 339.487 3.782 20 0 EHADMP CC1(C)CCC(O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000309957759 1121413737 /nfs/dbraw/zinc/41/37/37/1121413737.db2.gz FBVCJIAVTJZPGE-UHFFFAOYSA-N 2 1 330.516 3.572 20 0 EHADMP c1cc2c(cccc2C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000236738831 1121462424 /nfs/dbraw/zinc/46/24/24/1121462424.db2.gz QNOLMILKYSQKRF-LJQANCHMSA-N 2 1 333.479 3.822 20 0 EHADMP Cc1cccc(N([C@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001168500831 1121661768 /nfs/dbraw/zinc/66/17/68/1121661768.db2.gz NIFQKTNTQYYZGN-MRXNPFEDSA-N 2 1 327.447 3.719 20 0 EHADMP COc1c(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc(Cl)c1Cl ZINC001235718093 1121667654 /nfs/dbraw/zinc/66/76/54/1121667654.db2.gz UJVPLWOFGXZXRG-UHFFFAOYSA-N 2 1 331.287 3.824 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@H](C)C1 ZINC000126318169 1122401005 /nfs/dbraw/zinc/40/10/05/1122401005.db2.gz ZUPYSUPLVGHFRC-CTNGQTDRSA-N 2 1 344.543 3.835 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000556106611 1122817743 /nfs/dbraw/zinc/81/77/43/1122817743.db2.gz NORKUCVZVWNZAG-RBBKRZOGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000556106611 1122817748 /nfs/dbraw/zinc/81/77/48/1122817748.db2.gz NORKUCVZVWNZAG-RBBKRZOGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000556106611 1122817753 /nfs/dbraw/zinc/81/77/53/1122817753.db2.gz NORKUCVZVWNZAG-RBBKRZOGSA-N 2 1 343.559 3.846 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000129865671 1122852132 /nfs/dbraw/zinc/85/21/32/1122852132.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129865671 1122852136 /nfs/dbraw/zinc/85/21/36/1122852136.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129865671 1122852139 /nfs/dbraw/zinc/85/21/39/1122852139.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129865671 1122852142 /nfs/dbraw/zinc/85/21/42/1122852142.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129865671 1122852146 /nfs/dbraw/zinc/85/21/46/1122852146.db2.gz NDZGCLDTYURZFA-GCJKJVERSA-N 2 1 343.559 3.881 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130124410 1122891679 /nfs/dbraw/zinc/89/16/79/1122891679.db2.gz XMTZSOCRSLPVHG-ZBFHGGJFSA-N 2 1 336.442 3.587 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@H](C)C1 ZINC000130487186 1122954655 /nfs/dbraw/zinc/95/46/55/1122954655.db2.gz HKIDPOJMWFAOGP-KDOFPFPSSA-N 2 1 346.906 3.892 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250610 1123298126 /nfs/dbraw/zinc/29/81/26/1123298126.db2.gz CLNBWNTVUGENGU-LAUBAEHRSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250610 1123298130 /nfs/dbraw/zinc/29/81/30/1123298130.db2.gz CLNBWNTVUGENGU-LAUBAEHRSA-N 2 1 326.459 3.868 20 0 EHADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245775915 1123950113 /nfs/dbraw/zinc/95/01/13/1123950113.db2.gz YAZKPAPVRGQGPF-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775915 1123950116 /nfs/dbraw/zinc/95/01/16/1123950116.db2.gz YAZKPAPVRGQGPF-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245775915 1123950117 /nfs/dbraw/zinc/95/01/17/1123950117.db2.gz YAZKPAPVRGQGPF-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000245826366 1123956272 /nfs/dbraw/zinc/95/62/72/1123956272.db2.gz AZPMWGDJPIPUFQ-GSEOLPGOSA-N 2 1 330.516 3.690 20 0 EHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000245955896 1123990061 /nfs/dbraw/zinc/99/00/61/1123990061.db2.gz XHJSFWPEEDQVFE-SJORKVTESA-N 2 1 344.499 3.883 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C12CCC2 ZINC000453122393 1129164255 /nfs/dbraw/zinc/16/42/55/1129164255.db2.gz MTKRDHAFQJXCJW-PWIZWCRZSA-N 2 1 328.500 3.759 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)cc1 ZINC000617014356 1124077506 /nfs/dbraw/zinc/07/75/06/1124077506.db2.gz IABUAGKONJDSST-LJQANCHMSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617014356 1124077512 /nfs/dbraw/zinc/07/75/12/1124077512.db2.gz IABUAGKONJDSST-LJQANCHMSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000617014356 1124077517 /nfs/dbraw/zinc/07/75/17/1124077517.db2.gz IABUAGKONJDSST-LJQANCHMSA-N 2 1 345.531 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000172851169 1129167160 /nfs/dbraw/zinc/16/71/60/1129167160.db2.gz ZDRXHFUBNMARQB-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000172851169 1129167164 /nfs/dbraw/zinc/16/71/64/1129167164.db2.gz ZDRXHFUBNMARQB-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851169 1129167167 /nfs/dbraw/zinc/16/71/67/1129167167.db2.gz ZDRXHFUBNMARQB-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851169 1129167170 /nfs/dbraw/zinc/16/71/70/1129167170.db2.gz ZDRXHFUBNMARQB-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000247160754 1124592203 /nfs/dbraw/zinc/59/22/03/1124592203.db2.gz UDQSWBGSCUKDJY-IIMDRIAPSA-N 2 1 330.516 3.679 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247158702 1124592372 /nfs/dbraw/zinc/59/23/72/1124592372.db2.gz XORQNCFTBGKQHP-DODZYUBVSA-N 2 1 349.950 3.793 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000248065333 1124638436 /nfs/dbraw/zinc/63/84/36/1124638436.db2.gz ZISWRBMQBYBMEH-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000248065333 1124638443 /nfs/dbraw/zinc/63/84/43/1124638443.db2.gz ZISWRBMQBYBMEH-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000248065333 1124638446 /nfs/dbraw/zinc/63/84/46/1124638446.db2.gz ZISWRBMQBYBMEH-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC000248065333 1124638451 /nfs/dbraw/zinc/63/84/51/1124638451.db2.gz ZISWRBMQBYBMEH-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)o1 ZINC000248168084 1124644116 /nfs/dbraw/zinc/64/41/16/1124644116.db2.gz UDYUOQIMCZAWBA-MJGOQNOKSA-N 2 1 342.483 3.834 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000091336500 1124977953 /nfs/dbraw/zinc/97/79/53/1124977953.db2.gz SNTCTSSJDFLUBY-NHCUHLMSSA-N 2 1 348.506 3.884 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644085 1125280629 /nfs/dbraw/zinc/28/06/29/1125280629.db2.gz XWLWAPIVNDPJSO-GDBMZVCRSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644085 1125280632 /nfs/dbraw/zinc/28/06/32/1125280632.db2.gz XWLWAPIVNDPJSO-GDBMZVCRSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644085 1125280634 /nfs/dbraw/zinc/28/06/34/1125280634.db2.gz XWLWAPIVNDPJSO-GDBMZVCRSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OC(F)F ZINC000093644085 1125280639 /nfs/dbraw/zinc/28/06/39/1125280639.db2.gz XWLWAPIVNDPJSO-GDBMZVCRSA-N 2 1 326.431 3.819 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921907 1125390672 /nfs/dbraw/zinc/39/06/72/1125390672.db2.gz HYIFVFWCCDICCW-SMDDNHRTSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921907 1125390674 /nfs/dbraw/zinc/39/06/74/1125390674.db2.gz HYIFVFWCCDICCW-SMDDNHRTSA-N 2 1 344.286 3.524 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000261969014 1125393078 /nfs/dbraw/zinc/39/30/78/1125393078.db2.gz YTAXQSUCSLPJSP-XOKHGSTOSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000261969014 1125393080 /nfs/dbraw/zinc/39/30/80/1125393080.db2.gz YTAXQSUCSLPJSP-XOKHGSTOSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168706707 1129253870 /nfs/dbraw/zinc/25/38/70/1129253870.db2.gz JRZMUHOOZNECJL-HNNXBMFYSA-N 2 1 344.861 3.896 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2c(s1)CCC2 ZINC000765980517 1129423392 /nfs/dbraw/zinc/42/33/92/1129423392.db2.gz ZZWCMUWTVZQICM-PBHICJAKSA-N 2 1 334.529 3.531 20 0 EHADMP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765980289 1129423861 /nfs/dbraw/zinc/42/38/61/1129423861.db2.gz ZHRGRGDRAJXRSW-LEWJYISDSA-N 2 1 330.516 3.933 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)CC2 ZINC000358974091 1129429762 /nfs/dbraw/zinc/42/97/62/1129429762.db2.gz YKXCXBNGOIWCMU-APWZRJJASA-N 2 1 346.515 3.649 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543463366 1129499674 /nfs/dbraw/zinc/49/96/74/1129499674.db2.gz KVQBOYJRWLFVGQ-HZPDHXFCSA-N 2 1 336.907 3.961 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282409000 1129716810 /nfs/dbraw/zinc/71/68/10/1129716810.db2.gz YDZZGECOMCNXKI-HXUWFJFHSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172351240 1130126486 /nfs/dbraw/zinc/12/64/86/1130126486.db2.gz BTUDGAVORZOMIG-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172351240 1130126489 /nfs/dbraw/zinc/12/64/89/1130126489.db2.gz BTUDGAVORZOMIG-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172351240 1130126490 /nfs/dbraw/zinc/12/64/90/1130126490.db2.gz BTUDGAVORZOMIG-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172351240 1130126493 /nfs/dbraw/zinc/12/64/93/1130126493.db2.gz BTUDGAVORZOMIG-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000922895765 1130346167 /nfs/dbraw/zinc/34/61/67/1130346167.db2.gz GPWPOGXLGABIBI-CIQXWFTPSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000922895765 1130346173 /nfs/dbraw/zinc/34/61/73/1130346173.db2.gz GPWPOGXLGABIBI-CIQXWFTPSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000675751912 1130465005 /nfs/dbraw/zinc/46/50/05/1130465005.db2.gz GICVILLEJITLCM-LSTHTHJFSA-N 2 1 343.515 3.744 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1 ZINC000675741123 1130467915 /nfs/dbraw/zinc/46/79/15/1130467915.db2.gz BVNRDQPAOADFOP-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881792 1130500020 /nfs/dbraw/zinc/50/00/20/1130500020.db2.gz NLWRNLQMKMSRQF-KUDFPVQQSA-N 2 1 346.490 3.682 20 0 EHADMP CCc1nnc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000347990431 1131111590 /nfs/dbraw/zinc/11/15/90/1131111590.db2.gz FMJGMQJCVPJJCD-INIZCTEOSA-N 2 1 342.487 3.537 20 0 EHADMP CCc1nnc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000347990431 1131111595 /nfs/dbraw/zinc/11/15/95/1131111595.db2.gz FMJGMQJCVPJJCD-INIZCTEOSA-N 2 1 342.487 3.537 20 0 EHADMP COc1ccccc1C1([NH3+])CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172653790 1131801167 /nfs/dbraw/zinc/80/11/67/1131801167.db2.gz OOBNJMASHRJXAI-UHFFFAOYSA-N 2 1 346.515 3.681 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172717167 1131819148 /nfs/dbraw/zinc/81/91/48/1131819148.db2.gz QWIURCCOHZRXKQ-MGPUTAFESA-N 2 1 328.887 3.904 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172821629 1131851367 /nfs/dbraw/zinc/85/13/67/1131851367.db2.gz UMEQGHSQSVNGCG-ZHRYYDEUSA-N 2 1 342.527 3.759 20 0 EHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC001204102607 1131882932 /nfs/dbraw/zinc/88/29/32/1131882932.db2.gz DILSQEXRGLPRKJ-CYBMUJFWSA-N 2 1 343.309 3.668 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001173112195 1131970052 /nfs/dbraw/zinc/97/00/52/1131970052.db2.gz SLDKFDCVVPIQAF-ACBHZAAOSA-N 2 1 346.515 3.801 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484415 1132077563 /nfs/dbraw/zinc/07/75/63/1132077563.db2.gz SKEJGWSATZUHFR-DLBZAZTESA-N 2 1 334.454 3.771 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484415 1132077570 /nfs/dbraw/zinc/07/75/70/1132077570.db2.gz SKEJGWSATZUHFR-DLBZAZTESA-N 2 1 334.454 3.771 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484415 1132077578 /nfs/dbraw/zinc/07/75/78/1132077578.db2.gz SKEJGWSATZUHFR-DLBZAZTESA-N 2 1 334.454 3.771 20 0 EHADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173552395 1132093649 /nfs/dbraw/zinc/09/36/49/1132093649.db2.gz ZKOMXIJFJCXZTB-AEGPPILISA-N 2 1 327.299 3.808 20 0 EHADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173552395 1132093657 /nfs/dbraw/zinc/09/36/57/1132093657.db2.gz ZKOMXIJFJCXZTB-AEGPPILISA-N 2 1 327.299 3.808 20 0 EHADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001173552395 1132093664 /nfs/dbraw/zinc/09/36/64/1132093664.db2.gz ZKOMXIJFJCXZTB-AEGPPILISA-N 2 1 327.299 3.808 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@@H]1F ZINC001206212589 1132127279 /nfs/dbraw/zinc/12/72/79/1132127279.db2.gz SDECJORSPDJGCE-DLBZAZTESA-N 2 1 333.838 3.663 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC001173793267 1132150685 /nfs/dbraw/zinc/15/06/85/1132150685.db2.gz UYZNSCTUSGGSKM-DPTJXOHGSA-N 2 1 344.499 3.568 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CC2)cc1 ZINC001173793267 1132150689 /nfs/dbraw/zinc/15/06/89/1132150689.db2.gz UYZNSCTUSGGSKM-DPTJXOHGSA-N 2 1 344.499 3.568 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000381145699 1132473600 /nfs/dbraw/zinc/47/36/00/1132473600.db2.gz VYPSVHMDRVZRDC-QHAWAJNXSA-N 2 1 342.527 3.836 20 0 EHADMP Cn1c2ccccc2n(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1=S ZINC000766382920 1132524205 /nfs/dbraw/zinc/52/42/05/1132524205.db2.gz SQAGFKZCDCJMAS-UHFFFAOYSA-N 2 1 346.544 3.721 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169081019 1132658450 /nfs/dbraw/zinc/65/84/50/1132658450.db2.gz PCCZGYQMZFOSDL-KOUNCHBCSA-N 3 1 341.543 3.504 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169081019 1132658454 /nfs/dbraw/zinc/65/84/54/1132658454.db2.gz PCCZGYQMZFOSDL-KOUNCHBCSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169118030 1132661999 /nfs/dbraw/zinc/66/19/99/1132661999.db2.gz CCICAXVGOGYKLJ-NNZMDNLPSA-N 2 1 334.891 3.561 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Br)c3)CC1)C2 ZINC001169108217 1132670385 /nfs/dbraw/zinc/67/03/85/1132670385.db2.gz PJWSDIPYRKJSKI-PHZGNYQRSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Br)c3)CC1)C2 ZINC001169108217 1132670387 /nfs/dbraw/zinc/67/03/87/1132670387.db2.gz PJWSDIPYRKJSKI-PHZGNYQRSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Br)cc3)CC1)C2 ZINC001169109167 1132671093 /nfs/dbraw/zinc/67/10/93/1132671093.db2.gz ZFXGVEOQUBTJHN-MUJYYYPQSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Br)cc3)CC1)C2 ZINC001169109167 1132671095 /nfs/dbraw/zinc/67/10/95/1132671095.db2.gz ZFXGVEOQUBTJHN-MUJYYYPQSA-N 2 1 335.289 3.653 20 0 EHADMP C[NH+](C)Cc1c(F)cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1F ZINC001169148751 1132677678 /nfs/dbraw/zinc/67/76/78/1132677678.db2.gz ZVVYHLXUKKLWGU-IFXJQAMLSA-N 2 1 339.474 3.982 20 0 EHADMP C[NH+](C)Cc1c(F)cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1F ZINC001169148748 1132677909 /nfs/dbraw/zinc/67/79/09/1132677909.db2.gz ZVVYHLXUKKLWGU-AUUYWEPGSA-N 2 1 339.474 3.982 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OCc1cc(Cl)ccc13)C2 ZINC001169155327 1132680480 /nfs/dbraw/zinc/68/04/80/1132680480.db2.gz NDXRLVQBIADUBM-PIIMJCKOSA-N 2 1 346.902 3.787 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001169266186 1132705882 /nfs/dbraw/zinc/70/58/82/1132705882.db2.gz TXYYTLFJKGWYPC-HNNXBMFYSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001169266186 1132705885 /nfs/dbraw/zinc/70/58/85/1132705885.db2.gz TXYYTLFJKGWYPC-HNNXBMFYSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)CC1 ZINC001169255562 1132710838 /nfs/dbraw/zinc/71/08/38/1132710838.db2.gz SDWUAVJOOSOILJ-FDFHNCONSA-N 2 1 340.511 3.668 20 0 EHADMP CC[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)CC1 ZINC001169255562 1132710842 /nfs/dbraw/zinc/71/08/42/1132710842.db2.gz SDWUAVJOOSOILJ-FDFHNCONSA-N 2 1 340.511 3.668 20 0 EHADMP C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001176144464 1132844471 /nfs/dbraw/zinc/84/44/71/1132844471.db2.gz FXCQSJLQRRZAAR-QGZVFWFLSA-N 2 1 338.499 3.590 20 0 EHADMP CCC[C@@]1(CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001169881310 1132878266 /nfs/dbraw/zinc/87/82/66/1132878266.db2.gz QUNMGWFVWRKCIO-NRFANRHFSA-N 2 1 330.516 3.800 20 0 EHADMP C[C@]1(C2CC2)COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001176820488 1133002660 /nfs/dbraw/zinc/00/26/60/1133002660.db2.gz ZOCSYVVHPICWKC-OAQYLSRUSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001176985106 1133018414 /nfs/dbraw/zinc/01/84/14/1133018414.db2.gz OEDXVXWTZZLEGV-QRVBRYPASA-N 2 1 346.563 3.795 20 0 EHADMP CC1(C)CC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)N1O ZINC001169986950 1133102496 /nfs/dbraw/zinc/10/24/96/1133102496.db2.gz CHKFFRQPIHAJFO-JCNLHEQBSA-N 2 1 337.552 3.912 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001177865566 1133105260 /nfs/dbraw/zinc/10/52/60/1133105260.db2.gz YLBAQVSIMFHUDY-BDTNDASRSA-N 2 1 344.543 3.929 20 0 EHADMP C[N@@H+]1CCC[C@@H](CNCc2c[nH]nc2C(C)(C)C)[C@@H]1c1cccs1 ZINC001177913416 1133111913 /nfs/dbraw/zinc/11/19/13/1133111913.db2.gz ZEXDIEAIFJCDJY-WMLDXEAASA-N 2 1 346.544 3.941 20 0 EHADMP C[N@H+]1CCC[C@@H](CNCc2c[nH]nc2C(C)(C)C)[C@@H]1c1cccs1 ZINC001177913416 1133111916 /nfs/dbraw/zinc/11/19/16/1133111916.db2.gz ZEXDIEAIFJCDJY-WMLDXEAASA-N 2 1 346.544 3.941 20 0 EHADMP Cc1ccc2ncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc3ccccc3)n2c1 ZINC001177961294 1133122232 /nfs/dbraw/zinc/12/22/32/1133122232.db2.gz JDQUVMPYNAZRIJ-SFHVURJKSA-N 2 1 336.483 3.643 20 0 EHADMP Cc1ccc2ncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc3ccccc3)n2c1 ZINC001177961294 1133122234 /nfs/dbraw/zinc/12/22/34/1133122234.db2.gz JDQUVMPYNAZRIJ-SFHVURJKSA-N 2 1 336.483 3.643 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)sc1C ZINC000743498566 1133154726 /nfs/dbraw/zinc/15/47/26/1133154726.db2.gz PQVQANUOYTZXKO-UHFFFAOYSA-N 2 1 345.512 3.524 20 0 EHADMP Fc1ccc(C(C[NH2+]CCC[NH+]2CCC2)c2ccc(F)cc2)cc1 ZINC001178397545 1133161262 /nfs/dbraw/zinc/16/12/62/1133161262.db2.gz BOOUCIIDEFGENR-UHFFFAOYSA-N 2 1 330.422 3.782 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CC1 ZINC001206327924 1133167778 /nfs/dbraw/zinc/16/77/78/1133167778.db2.gz ZYICFQXBVYIBMG-AWEZNQCLSA-N 2 1 335.801 3.705 20 0 EHADMP CCCOc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001178462726 1133171130 /nfs/dbraw/zinc/17/11/30/1133171130.db2.gz HUWNEVOBCRGZGU-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC001178697421 1133192240 /nfs/dbraw/zinc/19/22/40/1133192240.db2.gz XALUTMPCSIGGNH-HXUWFJFHSA-N 2 1 343.515 3.874 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC001178697421 1133192243 /nfs/dbraw/zinc/19/22/43/1133192243.db2.gz XALUTMPCSIGGNH-HXUWFJFHSA-N 2 1 343.515 3.874 20 0 EHADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001178697421 1133192247 /nfs/dbraw/zinc/19/22/47/1133192247.db2.gz XALUTMPCSIGGNH-HXUWFJFHSA-N 2 1 343.515 3.874 20 0 EHADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001178697421 1133192251 /nfs/dbraw/zinc/19/22/51/1133192251.db2.gz XALUTMPCSIGGNH-HXUWFJFHSA-N 2 1 343.515 3.874 20 0 EHADMP Cn1cccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001203258986 1133213866 /nfs/dbraw/zinc/21/38/66/1133213866.db2.gz CHRTYYJLBALTQX-UHFFFAOYSA-N 2 1 329.513 3.575 20 0 EHADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccccc1-c1ccccc1C ZINC001179065673 1133225781 /nfs/dbraw/zinc/22/57/81/1133225781.db2.gz AKDJSNWEPBZWHE-HXUWFJFHSA-N 2 1 340.511 3.844 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338946 1133246349 /nfs/dbraw/zinc/24/63/49/1133246349.db2.gz PBECVYCGTFDUHT-NQIIRXRSSA-N 2 1 349.522 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338946 1133246355 /nfs/dbraw/zinc/24/63/55/1133246355.db2.gz PBECVYCGTFDUHT-NQIIRXRSSA-N 2 1 349.522 3.818 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001179338582 1133246479 /nfs/dbraw/zinc/24/64/79/1133246479.db2.gz KCTBDUQHYVJIIK-NQIIRXRSSA-N 2 1 338.495 3.861 20 0 EHADMP C[N@H+](Cc1ccc2c(c1)COC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402176 1133276809 /nfs/dbraw/zinc/27/68/09/1133276809.db2.gz CSXSPNKPLQAAQK-FQEVSTJZSA-N 2 1 336.479 3.671 20 0 EHADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402176 1133276814 /nfs/dbraw/zinc/27/68/14/1133276814.db2.gz CSXSPNKPLQAAQK-FQEVSTJZSA-N 2 1 336.479 3.671 20 0 EHADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402176 1133276818 /nfs/dbraw/zinc/27/68/18/1133276818.db2.gz CSXSPNKPLQAAQK-FQEVSTJZSA-N 2 1 336.479 3.671 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(CC2CCC2)c1 ZINC001179926283 1133300202 /nfs/dbraw/zinc/30/02/02/1133300202.db2.gz WQNXXXZQBJVZFM-YPAWHYETSA-N 2 1 342.527 3.713 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769502845 1133303535 /nfs/dbraw/zinc/30/35/35/1133303535.db2.gz BKIVPJMKLNODCU-INIZCTEOSA-N 2 1 346.544 3.780 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769502845 1133303538 /nfs/dbraw/zinc/30/35/38/1133303538.db2.gz BKIVPJMKLNODCU-INIZCTEOSA-N 2 1 346.544 3.780 20 0 EHADMP C[C@@H](C[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1)NC(=O)OC(C)(C)C ZINC000769677857 1133328129 /nfs/dbraw/zinc/32/81/29/1133328129.db2.gz GFNAOUXPVCVIRP-HOTGVXAUSA-N 2 1 341.540 3.532 20 0 EHADMP c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC001180375138 1133362973 /nfs/dbraw/zinc/36/29/73/1133362973.db2.gz HVCJATKTGJZYHG-UHFFFAOYSA-N 2 1 332.451 3.722 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000771474759 1133560097 /nfs/dbraw/zinc/56/00/97/1133560097.db2.gz FWVHSGVAWBJISM-NRFANRHFSA-N 2 1 348.506 3.693 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000785503342 1133714779 /nfs/dbraw/zinc/71/47/79/1133714779.db2.gz MAUYLUZODFGZBW-VQIMIIECSA-N 2 1 341.474 3.919 20 0 EHADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001205256865 1133774005 /nfs/dbraw/zinc/77/40/05/1133774005.db2.gz REKNRLTXXNZHKF-MRXNPFEDSA-N 2 1 325.294 3.585 20 0 EHADMP CC(C)[PH+](CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001183575933 1133828681 /nfs/dbraw/zinc/82/86/81/1133828681.db2.gz RWFOBQULCSGCBY-LJQANCHMSA-N 2 1 348.471 3.923 20 0 EHADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790811 1134923164 /nfs/dbraw/zinc/92/31/64/1134923164.db2.gz ZLDHXARICRHNJV-WIYYLYMNSA-N 2 1 330.516 3.919 20 0 EHADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790811 1134923168 /nfs/dbraw/zinc/92/31/68/1134923168.db2.gz ZLDHXARICRHNJV-WIYYLYMNSA-N 2 1 330.516 3.919 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Br)c1 ZINC001205618278 1135087152 /nfs/dbraw/zinc/08/71/52/1135087152.db2.gz UDZANTKNGRBDDR-KBPBESRZSA-N 2 1 325.294 3.564 20 0 EHADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205638430 1135158550 /nfs/dbraw/zinc/15/85/50/1135158550.db2.gz NVVLSVHVSFPXFW-WCQYABFASA-N 2 1 343.284 3.703 20 0 EHADMP CCCC[C@@H](CC)COC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001193950607 1135212864 /nfs/dbraw/zinc/21/28/64/1135212864.db2.gz BWNQKROJTOMLDO-MRXNPFEDSA-N 2 1 348.491 3.598 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CCO ZINC001195938729 1135487023 /nfs/dbraw/zinc/48/70/23/1135487023.db2.gz SMMDYWRPFDVHSK-GHTZIAJQSA-N 2 1 330.516 3.655 20 0 EHADMP Cc1cccc(C)c1C[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC001198195314 1135786746 /nfs/dbraw/zinc/78/67/46/1135786746.db2.gz VAHPHGKGNGFVOL-UHFFFAOYSA-N 2 1 338.495 3.768 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1sc2nc(C)nc(C)c2c1C ZINC000809752413 1135886006 /nfs/dbraw/zinc/88/60/06/1135886006.db2.gz BUNWLVDQKMCBPZ-UHFFFAOYSA-N 2 1 343.500 3.644 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1sc2nc(C)nc(C)c2c1C ZINC000809752413 1135886009 /nfs/dbraw/zinc/88/60/09/1135886009.db2.gz BUNWLVDQKMCBPZ-UHFFFAOYSA-N 2 1 343.500 3.644 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3nccs3)cc2)C1 ZINC001199320574 1135897597 /nfs/dbraw/zinc/89/75/97/1135897597.db2.gz NQBWFDXLVBWMPC-IYBDPMFKSA-N 2 1 329.513 3.911 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3nccs3)cc2)C1 ZINC001199320574 1135897601 /nfs/dbraw/zinc/89/76/01/1135897601.db2.gz NQBWFDXLVBWMPC-IYBDPMFKSA-N 2 1 329.513 3.911 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1F)C[NH+]1CCCCC1 ZINC001199580841 1135912453 /nfs/dbraw/zinc/91/24/53/1135912453.db2.gz BHPHTBYRXHAHTI-ZDUSSCGKSA-N 2 1 330.394 3.639 20 0 EHADMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc(C(F)(F)F)c1 ZINC001199583177 1135915122 /nfs/dbraw/zinc/91/51/22/1135915122.db2.gz VBOFIEARIXERFB-AWEZNQCLSA-N 2 1 344.421 3.926 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105442905 1135948028 /nfs/dbraw/zinc/94/80/28/1135948028.db2.gz IXTWTYHHKKVNCH-NSHDSACASA-N 2 1 342.270 3.933 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912428 1135991269 /nfs/dbraw/zinc/99/12/69/1135991269.db2.gz AHMQBQXCAGISRA-UONOGXRCSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912428 1135991271 /nfs/dbraw/zinc/99/12/71/1135991271.db2.gz AHMQBQXCAGISRA-UONOGXRCSA-N 2 1 325.294 3.625 20 0 EHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC001201394618 1136011633 /nfs/dbraw/zinc/01/16/33/1136011633.db2.gz ZBEHAJUGBPSNKU-UHFFFAOYSA-N 2 1 342.527 3.934 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001201411748 1136016047 /nfs/dbraw/zinc/01/60/47/1136016047.db2.gz RUBNFQVMTAKBMR-RTBURBONSA-N 2 1 344.499 3.691 20 0 EHADMP CCCC[C@H](CC)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201560512 1136040769 /nfs/dbraw/zinc/04/07/69/1136040769.db2.gz SVMBXYJWBTWBAN-SFHVURJKSA-N 2 1 332.536 3.553 20 0 EHADMP CCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001201731432 1136061620 /nfs/dbraw/zinc/06/16/20/1136061620.db2.gz QNSVULPKOASKHE-UHFFFAOYSA-N 2 1 330.516 3.852 20 0 EHADMP CCCCCC/C(=C/c1ccccc1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001201887549 1136070358 /nfs/dbraw/zinc/07/03/58/1136070358.db2.gz CBBANEZRUFCUCI-WOHXKIKESA-N 2 1 330.516 3.697 20 0 EHADMP CC(C)(C)C1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001201953973 1136078072 /nfs/dbraw/zinc/07/80/72/1136078072.db2.gz CENWEWBSDOACNB-XVAXZDLZSA-N 2 1 344.543 3.948 20 0 EHADMP CCCOc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1OC ZINC001201963705 1136079060 /nfs/dbraw/zinc/07/90/60/1136079060.db2.gz UFGWVQNCQCTJAZ-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCC(F)(F)F)CC2 ZINC001202319624 1136128415 /nfs/dbraw/zinc/12/84/15/1136128415.db2.gz QUQVDIMHUKNKBW-HNNXBMFYSA-N 2 1 330.394 3.908 20 0 EHADMP [NH3+]C1CCC(N(c2cccn3c[nH+]cc23)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170646713 1136149243 /nfs/dbraw/zinc/14/92/43/1136149243.db2.gz HFHUAAPTVCFEBJ-KWOGNLBTSA-N 2 1 346.478 3.967 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)oc21 ZINC000853093655 1136508650 /nfs/dbraw/zinc/50/86/50/1136508650.db2.gz PTQUNECDDBQLIF-INIZCTEOSA-N 2 1 328.456 3.653 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)oc21 ZINC000853093655 1136508652 /nfs/dbraw/zinc/50/86/52/1136508652.db2.gz PTQUNECDDBQLIF-INIZCTEOSA-N 2 1 328.456 3.653 20 0 EHADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000854222224 1136599114 /nfs/dbraw/zinc/59/91/14/1136599114.db2.gz DGNAATYWGRQZTC-IWCQGFGOSA-N 2 1 344.396 3.982 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561475 1136795482 /nfs/dbraw/zinc/79/54/82/1136795482.db2.gz VRFQUTCSORFYJW-NQIIRXRSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561475 1136795485 /nfs/dbraw/zinc/79/54/85/1136795485.db2.gz VRFQUTCSORFYJW-NQIIRXRSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561475 1136795488 /nfs/dbraw/zinc/79/54/88/1136795488.db2.gz VRFQUTCSORFYJW-NQIIRXRSSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001170861504 1136795487 /nfs/dbraw/zinc/79/54/87/1136795487.db2.gz MVKUGNSPEZKFEE-SFHVURJKSA-N 2 1 333.564 3.860 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561477 1136795528 /nfs/dbraw/zinc/79/55/28/1136795528.db2.gz VRFQUTCSORFYJW-RXVVDRJESA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561477 1136795531 /nfs/dbraw/zinc/79/55/31/1136795531.db2.gz VRFQUTCSORFYJW-RXVVDRJESA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561477 1136795534 /nfs/dbraw/zinc/79/55/34/1136795534.db2.gz VRFQUTCSORFYJW-RXVVDRJESA-N 2 1 343.515 3.731 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856779117 1136810995 /nfs/dbraw/zinc/81/09/95/1136810995.db2.gz SYLNHGCDMASLJV-SNVBAGLBSA-N 2 1 346.784 4.000 20 0 EHADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC(C)C ZINC000817898843 1136844165 /nfs/dbraw/zinc/84/41/65/1136844165.db2.gz BPRAVQJBOHBQQS-VQIMIIECSA-N 2 1 342.483 3.531 20 0 EHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817942575 1136849353 /nfs/dbraw/zinc/84/93/53/1136849353.db2.gz ARUWUEMFEPDSJK-INIZCTEOSA-N 2 1 345.487 3.736 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2ccccc2Br)CC1 ZINC000429542543 1136869231 /nfs/dbraw/zinc/86/92/31/1136869231.db2.gz QWOJRDHSHUKTCB-MRXNPFEDSA-N 2 1 339.321 3.798 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC000429542543 1136869233 /nfs/dbraw/zinc/86/92/33/1136869233.db2.gz QWOJRDHSHUKTCB-MRXNPFEDSA-N 2 1 339.321 3.798 20 0 EHADMP COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1SC(F)F ZINC000818614717 1136886016 /nfs/dbraw/zinc/88/60/16/1136886016.db2.gz FHODMAGYCGSFNC-RAIGVLPGSA-N 2 1 330.444 3.930 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000818959557 1136896035 /nfs/dbraw/zinc/89/60/35/1136896035.db2.gz NWCFKIQBEMOFIV-GCJKJVERSA-N 2 1 340.511 3.975 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(F)c2)[C@@H]1c1cccs1 ZINC000819101402 1136908929 /nfs/dbraw/zinc/90/89/29/1136908929.db2.gz SWNCLKQAZIEXBX-HHXXYDBFSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(F)c2)[C@@H]1c1cccs1 ZINC000819101402 1136908931 /nfs/dbraw/zinc/90/89/31/1136908931.db2.gz SWNCLKQAZIEXBX-HHXXYDBFSA-N 2 1 348.487 3.593 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189261 1136921867 /nfs/dbraw/zinc/92/18/67/1136921867.db2.gz FWPLWJNDQIDMOW-SYYKKAFVSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858097859 1136939667 /nfs/dbraw/zinc/93/96/67/1136939667.db2.gz BPBSUEAOQAXKOM-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000858166178 1136945800 /nfs/dbraw/zinc/94/58/00/1136945800.db2.gz BLACBKCDTWNZMR-LJQANCHMSA-N 2 1 327.447 3.613 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000858166178 1136945801 /nfs/dbraw/zinc/94/58/01/1136945801.db2.gz BLACBKCDTWNZMR-LJQANCHMSA-N 2 1 327.447 3.613 20 0 EHADMP C[N@H+]1CC[C@H](NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1(C)C ZINC000858188663 1136947860 /nfs/dbraw/zinc/94/78/60/1136947860.db2.gz WZEVWVRNWUHLSR-KRWDZBQOSA-N 2 1 347.503 3.996 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1(C)C ZINC000858188663 1136947866 /nfs/dbraw/zinc/94/78/66/1136947866.db2.gz WZEVWVRNWUHLSR-KRWDZBQOSA-N 2 1 347.503 3.996 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000429544213 1136987475 /nfs/dbraw/zinc/98/74/75/1136987475.db2.gz XHYBEQKBEJSCAT-HNNXBMFYSA-N 2 1 330.394 3.544 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000429544213 1136987478 /nfs/dbraw/zinc/98/74/78/1136987478.db2.gz XHYBEQKBEJSCAT-HNNXBMFYSA-N 2 1 330.394 3.544 20 0 EHADMP c1ccc(OCC2CC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820811985 1137005489 /nfs/dbraw/zinc/00/54/89/1137005489.db2.gz ZNFCDAHATBFNAK-CTXDPNEZSA-N 2 1 326.484 3.723 20 0 EHADMP c1ccc(OCC2CC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820811985 1137005490 /nfs/dbraw/zinc/00/54/90/1137005490.db2.gz ZNFCDAHATBFNAK-CTXDPNEZSA-N 2 1 326.484 3.723 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cc(F)ncc2F)CC1)CC1CC1 ZINC000823573105 1137104719 /nfs/dbraw/zinc/10/47/19/1137104719.db2.gz GSLOJDXDFQBZPP-UHFFFAOYSA-N 2 1 337.458 3.694 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(F)ncc2F)CC1)CC1CC1 ZINC000823573105 1137104721 /nfs/dbraw/zinc/10/47/21/1137104721.db2.gz GSLOJDXDFQBZPP-UHFFFAOYSA-N 2 1 337.458 3.694 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862283562 1137137004 /nfs/dbraw/zinc/13/70/04/1137137004.db2.gz KOZKGPGUKQXONE-BEFAXECRSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862283562 1137137005 /nfs/dbraw/zinc/13/70/05/1137137005.db2.gz KOZKGPGUKQXONE-BEFAXECRSA-N 2 1 327.447 3.672 20 0 EHADMP Clc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)nc1 ZINC001136931666 1137150421 /nfs/dbraw/zinc/15/04/21/1137150421.db2.gz NXQFZFBCHANROK-UHFFFAOYSA-N 2 1 341.886 3.833 20 0 EHADMP CCOc1c(Cl)ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC001143831674 1137203824 /nfs/dbraw/zinc/20/38/24/1137203824.db2.gz SMSSYPQSTAZCMV-UHFFFAOYSA-N 2 1 328.859 3.651 20 0 EHADMP COc1c(F)cc(C[N@@H+](C(C)C)C2CCN(C)CC2)cc1Cl ZINC001143864961 1137205098 /nfs/dbraw/zinc/20/50/98/1137205098.db2.gz VAWUCCJALAWGTG-UHFFFAOYSA-N 2 1 328.859 3.792 20 0 EHADMP CC[N@@H+](CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000846024175 1137326942 /nfs/dbraw/zinc/32/69/42/1137326942.db2.gz ZQPJAMACAZDIAL-GDBMZVCRSA-N 2 1 336.442 3.731 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705354 1137374652 /nfs/dbraw/zinc/37/46/52/1137374652.db2.gz YLPKAPSLNOFRQW-HRAATJIYSA-N 2 1 345.531 3.834 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705354 1137374653 /nfs/dbraw/zinc/37/46/53/1137374653.db2.gz YLPKAPSLNOFRQW-HRAATJIYSA-N 2 1 345.531 3.834 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001171290654 1137396406 /nfs/dbraw/zinc/39/64/06/1137396406.db2.gz AGTZGUWSQUTVSS-CABCVRRESA-N 2 1 336.907 3.527 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000348108241 1137445490 /nfs/dbraw/zinc/44/54/90/1137445490.db2.gz KKTOYTKIMJGTRR-RBUKOAKNSA-N 2 1 340.515 3.567 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000348108241 1137445491 /nfs/dbraw/zinc/44/54/91/1137445491.db2.gz KKTOYTKIMJGTRR-RBUKOAKNSA-N 2 1 340.515 3.567 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171408929 1137474388 /nfs/dbraw/zinc/47/43/88/1137474388.db2.gz ARFKEJJOEAKFIX-GOSISDBHSA-N 2 1 342.433 3.772 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220507 1137476076 /nfs/dbraw/zinc/47/60/76/1137476076.db2.gz SEOYUAAGXFZMIT-YOLZPYMBSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220507 1137476078 /nfs/dbraw/zinc/47/60/78/1137476078.db2.gz SEOYUAAGXFZMIT-YOLZPYMBSA-N 3 1 343.559 3.750 20 0 EHADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631205 1137499737 /nfs/dbraw/zinc/49/97/37/1137499737.db2.gz GHIHLAPUGLPNCX-FQEVSTJZSA-N 2 1 338.536 3.693 20 0 EHADMP COc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc(Cl)c1O ZINC001171626002 1137501252 /nfs/dbraw/zinc/50/12/52/1137501252.db2.gz ROFDODXLFFSIGM-UHFFFAOYSA-N 2 1 340.895 3.795 20 0 EHADMP C[C@H]1C[C@@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725295 1137506362 /nfs/dbraw/zinc/50/63/62/1137506362.db2.gz ISNXUBYZMMAOGU-SCLBCKFNSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]1C[C@@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725295 1137506364 /nfs/dbraw/zinc/50/63/64/1137506364.db2.gz ISNXUBYZMMAOGU-SCLBCKFNSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]1C[C@H](n2c(CC[NH3+])cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733090 1137506994 /nfs/dbraw/zinc/50/69/94/1137506994.db2.gz IFDQUWZLGSQPQA-UWJYYQICSA-N 2 1 333.479 3.978 20 0 EHADMP COc1ccc2c(C[NH3+])cn([C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001171732967 1137507097 /nfs/dbraw/zinc/50/70/97/1137507097.db2.gz NHTOQBNNRMPBKJ-QFBILLFUSA-N 2 1 349.478 3.944 20 0 EHADMP CCC(CC)[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171733996 1137510190 /nfs/dbraw/zinc/51/01/90/1137510190.db2.gz LBDSRGHAQHXNQL-RXVVDRJESA-N 2 1 343.559 3.892 20 0 EHADMP CCC(CC)[NH+]1CCC([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171733996 1137510193 /nfs/dbraw/zinc/51/01/93/1137510193.db2.gz LBDSRGHAQHXNQL-RXVVDRJESA-N 2 1 343.559 3.892 20 0 EHADMP COc1cccc2c(C[NH3+])cn([C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171734152 1137510355 /nfs/dbraw/zinc/51/03/55/1137510355.db2.gz MBQUNJLAHSAPIE-QFBILLFUSA-N 2 1 349.478 3.944 20 0 EHADMP C[C@@H]1C[C@@H](n2cnc(-c3ccc(C[NH3+])cc3)c2)C[N@H+]1Cc1ccccc1 ZINC001171740718 1137511261 /nfs/dbraw/zinc/51/12/61/1137511261.db2.gz LDKCRIAVQGVYDT-DYESRHJHSA-N 2 1 346.478 3.844 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171910082 1137517902 /nfs/dbraw/zinc/51/79/02/1137517902.db2.gz DWCNCCWSDQEHSB-UHFFFAOYSA-N 2 1 326.525 3.599 20 0 EHADMP C[C@H](C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962187 1137519514 /nfs/dbraw/zinc/51/95/14/1137519514.db2.gz BUHZPGLDYBMPIC-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974127 1137524681 /nfs/dbraw/zinc/52/46/81/1137524681.db2.gz APVLHYBKJNFJAW-IBGZPJMESA-N 2 1 331.548 3.607 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974127 1137524683 /nfs/dbraw/zinc/52/46/83/1137524683.db2.gz APVLHYBKJNFJAW-IBGZPJMESA-N 3 1 331.548 3.607 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974127 1137524684 /nfs/dbraw/zinc/52/46/84/1137524684.db2.gz APVLHYBKJNFJAW-IBGZPJMESA-N 3 1 331.548 3.607 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977227 1137525094 /nfs/dbraw/zinc/52/50/94/1137525094.db2.gz ZFVAJFBMQQCOGM-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP CC[N@H+](CCCC(=O)OC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977735 1137526017 /nfs/dbraw/zinc/52/60/17/1137526017.db2.gz UDSRCDOMIUPQES-IBGZPJMESA-N 2 1 346.515 3.705 20 0 EHADMP CC[N@@H+](CCCC(=O)OC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977735 1137526019 /nfs/dbraw/zinc/52/60/19/1137526019.db2.gz UDSRCDOMIUPQES-IBGZPJMESA-N 2 1 346.515 3.705 20 0 EHADMP CC[NH+](CCCC(=O)OC)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977735 1137526020 /nfs/dbraw/zinc/52/60/20/1137526020.db2.gz UDSRCDOMIUPQES-IBGZPJMESA-N 2 1 346.515 3.705 20 0 EHADMP CC[NH+](CCCC(=O)OC)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977735 1137526022 /nfs/dbraw/zinc/52/60/22/1137526022.db2.gz UDSRCDOMIUPQES-IBGZPJMESA-N 2 1 346.515 3.705 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977516 1137526080 /nfs/dbraw/zinc/52/60/80/1137526080.db2.gz BNHNJOJZJRMBRE-NYLDSWQDSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977516 1137526082 /nfs/dbraw/zinc/52/60/82/1137526082.db2.gz BNHNJOJZJRMBRE-NYLDSWQDSA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001171981273 1137526616 /nfs/dbraw/zinc/52/66/16/1137526616.db2.gz BXGZQKNMJQVYRR-QGZVFWFLSA-N 2 1 329.513 3.718 20 0 EHADMP CO[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988304 1137527826 /nfs/dbraw/zinc/52/78/26/1137527826.db2.gz RGXQIKBUMBJYQH-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988304 1137527828 /nfs/dbraw/zinc/52/78/28/1137527828.db2.gz RGXQIKBUMBJYQH-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988304 1137527830 /nfs/dbraw/zinc/52/78/30/1137527830.db2.gz RGXQIKBUMBJYQH-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@H]2CCCOC2)C3)cc1 ZINC001172061144 1137529176 /nfs/dbraw/zinc/52/91/76/1137529176.db2.gz FTLZBHWVCOOXBB-NCYKPQTJSA-N 2 1 328.500 3.588 20 0 EHADMP CCC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074746 1137530042 /nfs/dbraw/zinc/53/00/42/1137530042.db2.gz LZSYDXBIDOJKSK-ZBYYUNFXSA-N 2 1 341.543 3.600 20 0 EHADMP C[N@H+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1(C)C ZINC001172082077 1137531309 /nfs/dbraw/zinc/53/13/09/1137531309.db2.gz JGMDIBZVFIIJLB-AERCQKQUSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(C)C ZINC001172082077 1137531310 /nfs/dbraw/zinc/53/13/10/1137531310.db2.gz JGMDIBZVFIIJLB-AERCQKQUSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1(C)C ZINC001172082077 1137531312 /nfs/dbraw/zinc/53/13/12/1137531312.db2.gz JGMDIBZVFIIJLB-AERCQKQUSA-N 2 1 341.543 3.598 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084601 1137531767 /nfs/dbraw/zinc/53/17/67/1137531767.db2.gz YZQIYSPROWWBSF-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084601 1137531768 /nfs/dbraw/zinc/53/17/68/1137531768.db2.gz YZQIYSPROWWBSF-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084601 1137531769 /nfs/dbraw/zinc/53/17/69/1137531769.db2.gz YZQIYSPROWWBSF-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084601 1137531770 /nfs/dbraw/zinc/53/17/70/1137531770.db2.gz YZQIYSPROWWBSF-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP O[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066611 1137533321 /nfs/dbraw/zinc/53/33/21/1137533321.db2.gz CCVWSMONBKUNJZ-WSJSTIOHSA-N 2 1 342.527 3.713 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068121 1137534077 /nfs/dbraw/zinc/53/40/77/1137534077.db2.gz HNOKUSNHMVFXEO-CBPXPLCBSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068121 1137534078 /nfs/dbraw/zinc/53/40/78/1137534078.db2.gz HNOKUSNHMVFXEO-CBPXPLCBSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068121 1137534079 /nfs/dbraw/zinc/53/40/79/1137534079.db2.gz HNOKUSNHMVFXEO-CBPXPLCBSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068121 1137534081 /nfs/dbraw/zinc/53/40/81/1137534081.db2.gz HNOKUSNHMVFXEO-CBPXPLCBSA-N 2 1 340.511 3.685 20 0 EHADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069640 1137534716 /nfs/dbraw/zinc/53/47/16/1137534716.db2.gz WFQWSIHBBFCABP-PPQDBTBKSA-N 2 1 328.500 3.587 20 0 EHADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001172070184 1137535076 /nfs/dbraw/zinc/53/50/76/1137535076.db2.gz MVMQLNIQDAAFHE-PLACYPQZSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001172102377 1137536710 /nfs/dbraw/zinc/53/67/10/1137536710.db2.gz MKPQSYVCLWCHKY-BTTYYORXSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001172102377 1137536712 /nfs/dbraw/zinc/53/67/12/1137536712.db2.gz MKPQSYVCLWCHKY-BTTYYORXSA-N 2 1 330.369 3.949 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001172107991 1137536831 /nfs/dbraw/zinc/53/68/31/1137536831.db2.gz NFTFBPJFMHRJKB-BLCKVISQSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107991 1137536832 /nfs/dbraw/zinc/53/68/32/1137536832.db2.gz NFTFBPJFMHRJKB-BLCKVISQSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107991 1137536833 /nfs/dbraw/zinc/53/68/33/1137536833.db2.gz NFTFBPJFMHRJKB-BLCKVISQSA-N 2 1 341.543 3.644 20 0 EHADMP Cc1ccc(C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172223377 1137542271 /nfs/dbraw/zinc/54/22/71/1137542271.db2.gz SYEFSRNAYWGANL-YRMMNHGISA-N 2 1 328.500 3.777 20 0 EHADMP CC1(C)C[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172283814 1137547845 /nfs/dbraw/zinc/54/78/45/1137547845.db2.gz ZZVNCBDEWIIFRN-BZSNNMDCSA-N 2 1 336.907 3.979 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172348057 1137553014 /nfs/dbraw/zinc/55/30/14/1137553014.db2.gz NWCQIMUXPFHJMY-IZZBFERCSA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172348057 1137553016 /nfs/dbraw/zinc/55/30/16/1137553016.db2.gz NWCQIMUXPFHJMY-IZZBFERCSA-N 2 1 330.516 3.644 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1F ZINC000872019315 1137564844 /nfs/dbraw/zinc/56/48/44/1137564844.db2.gz VPFOWCDYEWUUSS-HNNXBMFYSA-N 2 1 328.431 3.978 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000872060929 1137568838 /nfs/dbraw/zinc/56/88/38/1137568838.db2.gz UBTCXOZSBQFJKP-LJQANCHMSA-N 2 1 345.531 3.834 20 0 EHADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccccc1-c1ccccc1 ZINC000872155622 1137573946 /nfs/dbraw/zinc/57/39/46/1137573946.db2.gz WROINOXPNAHESZ-UHFFFAOYSA-N 2 1 339.483 3.743 20 0 EHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1)C1CCCC1 ZINC000872157209 1137574311 /nfs/dbraw/zinc/57/43/11/1137574311.db2.gz NOIZDPNRYQNGME-NVXWUHKLSA-N 2 1 331.504 3.673 20 0 EHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137060154 1137580985 /nfs/dbraw/zinc/58/09/85/1137580985.db2.gz KSPXVNVCJYOEEG-HNNXBMFYSA-N 2 1 325.387 3.664 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(Cl)c1OC ZINC000873223119 1137594364 /nfs/dbraw/zinc/59/43/64/1137594364.db2.gz IASRHAYAGATAKS-SFHVURJKSA-N 2 1 340.895 3.554 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(Cl)c1OC ZINC000873223119 1137594365 /nfs/dbraw/zinc/59/43/65/1137594365.db2.gz IASRHAYAGATAKS-SFHVURJKSA-N 2 1 340.895 3.554 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000873289713 1137596605 /nfs/dbraw/zinc/59/66/05/1137596605.db2.gz XBMVPQUYFZJXIG-YWZLYKJASA-N 2 1 327.447 3.551 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000873289713 1137596606 /nfs/dbraw/zinc/59/66/06/1137596606.db2.gz XBMVPQUYFZJXIG-YWZLYKJASA-N 2 1 327.447 3.551 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000876938096 1137665783 /nfs/dbraw/zinc/66/57/83/1137665783.db2.gz PMEBFNVEUNIKBB-ZWWNWMABSA-N 2 1 332.469 3.810 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)cn1 ZINC000876951193 1137666089 /nfs/dbraw/zinc/66/60/89/1137666089.db2.gz GRURWIATNGZZLI-TZIWHRDSSA-N 2 1 332.451 3.859 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000877058647 1137669014 /nfs/dbraw/zinc/66/90/14/1137669014.db2.gz DJCQHEGFUHZEAS-YSIASYRMSA-N 2 1 340.467 3.579 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000877058647 1137669015 /nfs/dbraw/zinc/66/90/15/1137669015.db2.gz DJCQHEGFUHZEAS-YSIASYRMSA-N 2 1 340.467 3.579 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000877189206 1137672515 /nfs/dbraw/zinc/67/25/15/1137672515.db2.gz LJGFNMJMBBYTFP-JHQQDIAJSA-N 2 1 344.480 3.952 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)O2)cc1 ZINC000878122167 1137703401 /nfs/dbraw/zinc/70/34/01/1137703401.db2.gz XIHAKIYFHLTPIR-ACRUOGEOSA-N 2 1 328.500 3.857 20 0 EHADMP Clc1ccc2ccc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)nc2c1 ZINC000878252705 1137708668 /nfs/dbraw/zinc/70/86/68/1137708668.db2.gz SDHCXOAXADCEBS-AWEZNQCLSA-N 2 1 326.831 3.991 20 0 EHADMP Cc1conc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000878815722 1137728969 /nfs/dbraw/zinc/72/89/69/1137728969.db2.gz OCALEEDUBUJZRC-UHFFFAOYSA-N 2 1 339.483 3.861 20 0 EHADMP C[N@H+]1CC[C@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000879570031 1137751472 /nfs/dbraw/zinc/75/14/72/1137751472.db2.gz DQBSOTZYJPTDKT-KSSFIOAISA-N 2 1 331.847 3.521 20 0 EHADMP COc1cccc([C@@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880285321 1137773219 /nfs/dbraw/zinc/77/32/19/1137773219.db2.gz JHJPQVHGXDMXFC-IBGZPJMESA-N 2 1 327.472 3.629 20 0 EHADMP COc1cccc([C@@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880285321 1137773220 /nfs/dbraw/zinc/77/32/20/1137773220.db2.gz JHJPQVHGXDMXFC-IBGZPJMESA-N 2 1 327.472 3.629 20 0 EHADMP Clc1ccc2[nH+]ccc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882726270 1137832633 /nfs/dbraw/zinc/83/26/33/1137832633.db2.gz PDYPJRPLKMQPCD-INIZCTEOSA-N 2 1 345.874 3.626 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1 ZINC000130695561 1137840941 /nfs/dbraw/zinc/84/09/41/1137840941.db2.gz AHXKJXPLYPBCDT-IIBYNOLFSA-N 2 1 335.451 3.873 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCOC1 ZINC000883351385 1137856826 /nfs/dbraw/zinc/85/68/26/1137856826.db2.gz DXMBEYVECDFRBS-BDHVOXNPSA-N 2 1 342.527 3.977 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC1 ZINC000883384799 1137858705 /nfs/dbraw/zinc/85/87/05/1137858705.db2.gz ZAPZYVDICPXKGD-IBGZPJMESA-N 2 1 344.499 3.523 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264615 1137886794 /nfs/dbraw/zinc/88/67/94/1137886794.db2.gz NWABJZKVVRBWJK-GOEBONIOSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264615 1137886795 /nfs/dbraw/zinc/88/67/95/1137886795.db2.gz NWABJZKVVRBWJK-GOEBONIOSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264615 1137886796 /nfs/dbraw/zinc/88/67/96/1137886796.db2.gz NWABJZKVVRBWJK-GOEBONIOSA-N 2 1 331.435 3.631 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202660781 1137910257 /nfs/dbraw/zinc/91/02/57/1137910257.db2.gz MTGIIXLVLSVFRV-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@H]1C[N@@H+](C/C(Br)=C/c2ccccc2)CCC[C@H]1C[NH3+] ZINC001205980821 1137959164 /nfs/dbraw/zinc/95/91/64/1137959164.db2.gz AIOHTWWYQITEOW-BDINCZSTSA-N 2 1 337.305 3.729 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000885956564 1138028442 /nfs/dbraw/zinc/02/84/42/1138028442.db2.gz SJLRIWGJBKBGFE-OKZBNKHCSA-N 2 1 336.545 3.897 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000885956564 1138028444 /nfs/dbraw/zinc/02/84/44/1138028444.db2.gz SJLRIWGJBKBGFE-OKZBNKHCSA-N 2 1 336.545 3.897 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287073 1138064403 /nfs/dbraw/zinc/06/44/03/1138064403.db2.gz JHTMPGAVFRRCTB-VQTJNVASSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287073 1138064406 /nfs/dbraw/zinc/06/44/06/1138064406.db2.gz JHTMPGAVFRRCTB-VQTJNVASSA-N 2 1 340.511 3.732 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4cccc(Cl)c4n3)C2)CC1 ZINC001137228271 1138069953 /nfs/dbraw/zinc/06/99/53/1138069953.db2.gz LYYYMTLAEGZUMG-UHFFFAOYSA-N 2 1 329.875 3.806 20 0 EHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000886502526 1138085025 /nfs/dbraw/zinc/08/50/25/1138085025.db2.gz BJMWKCLIPLGAQG-FQEVSTJZSA-N 2 1 328.504 3.747 20 0 EHADMP C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC[C@@H]1O ZINC000886537277 1138092459 /nfs/dbraw/zinc/09/24/59/1138092459.db2.gz XPSRDGPMCLARKZ-KNOXWWKRSA-N 2 1 342.527 3.570 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000886557019 1138095935 /nfs/dbraw/zinc/09/59/35/1138095935.db2.gz PLDYJXGKLZYFLI-UQVNRYHBSA-N 2 1 328.500 3.587 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000886715785 1138124307 /nfs/dbraw/zinc/12/43/07/1138124307.db2.gz DQNMEGHSYOHQBH-UHFFFAOYSA-N 2 1 338.499 3.631 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818173 1138148975 /nfs/dbraw/zinc/14/89/75/1138148975.db2.gz BIGLXICAECVVIK-SFTDATJTSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000123021511 1138265169 /nfs/dbraw/zinc/26/51/69/1138265169.db2.gz QJSOUSMIEALPLT-AAEUAGOBSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123021511 1138265172 /nfs/dbraw/zinc/26/51/72/1138265172.db2.gz QJSOUSMIEALPLT-AAEUAGOBSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123021511 1138265175 /nfs/dbraw/zinc/26/51/75/1138265175.db2.gz QJSOUSMIEALPLT-AAEUAGOBSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000123021511 1138265167 /nfs/dbraw/zinc/26/51/67/1138265167.db2.gz QJSOUSMIEALPLT-AAEUAGOBSA-N 2 1 329.257 3.503 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Cl)c2Br)C1 ZINC001202749937 1138271011 /nfs/dbraw/zinc/27/10/11/1138271011.db2.gz MGWWUAVLABYQIW-LBPRGKRZSA-N 2 1 345.712 3.924 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125382522 1138307220 /nfs/dbraw/zinc/30/72/20/1138307220.db2.gz NEZNCSFOCCEYTQ-INIZCTEOSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126866038 1138340976 /nfs/dbraw/zinc/34/09/76/1138340976.db2.gz JQUNHSUEJQSRIA-HUUCEWRRSA-N 2 1 333.476 3.845 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126866038 1138340981 /nfs/dbraw/zinc/34/09/81/1138340981.db2.gz JQUNHSUEJQSRIA-HUUCEWRRSA-N 2 1 333.476 3.845 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000128630816 1138394393 /nfs/dbraw/zinc/39/43/93/1138394393.db2.gz SAEGYPWUPRZCRF-GOSISDBHSA-N 2 1 341.499 3.625 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000091589272 1138421031 /nfs/dbraw/zinc/42/10/31/1138421031.db2.gz RUHJQSFFMARNJB-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000091589272 1138421034 /nfs/dbraw/zinc/42/10/34/1138421034.db2.gz RUHJQSFFMARNJB-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589272 1138421035 /nfs/dbraw/zinc/42/10/35/1138421035.db2.gz RUHJQSFFMARNJB-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589272 1138421039 /nfs/dbraw/zinc/42/10/39/1138421039.db2.gz RUHJQSFFMARNJB-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000130473067 1138457258 /nfs/dbraw/zinc/45/72/58/1138457258.db2.gz RTQUSEQQMSEEKZ-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000130473067 1138457260 /nfs/dbraw/zinc/45/72/60/1138457260.db2.gz RTQUSEQQMSEEKZ-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000338130011 1138760218 /nfs/dbraw/zinc/76/02/18/1138760218.db2.gz HMXIMLATUWKCEO-ROUUACIJSA-N 2 1 345.531 3.521 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338198587 1138784639 /nfs/dbraw/zinc/78/46/39/1138784639.db2.gz SWTZVZVLIBILJQ-GHTZIAJQSA-N 2 1 338.499 3.615 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338198587 1138784643 /nfs/dbraw/zinc/78/46/43/1138784643.db2.gz SWTZVZVLIBILJQ-GHTZIAJQSA-N 2 1 338.499 3.615 20 0 EHADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368931 1138863352 /nfs/dbraw/zinc/86/33/52/1138863352.db2.gz OHYBVILZJGOXBE-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368931 1138863365 /nfs/dbraw/zinc/86/33/65/1138863365.db2.gz OHYBVILZJGOXBE-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368931 1138863377 /nfs/dbraw/zinc/86/33/77/1138863377.db2.gz OHYBVILZJGOXBE-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368931 1138863388 /nfs/dbraw/zinc/86/33/88/1138863388.db2.gz OHYBVILZJGOXBE-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368931 1138863400 /nfs/dbraw/zinc/86/34/00/1138863400.db2.gz OHYBVILZJGOXBE-SJLPKXTDSA-N 2 1 337.458 3.661 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153738972 1139149450 /nfs/dbraw/zinc/14/94/50/1139149450.db2.gz OEMSHPZRZORMLQ-ZBFHGGJFSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@@H+]1C ZINC000153738972 1139149457 /nfs/dbraw/zinc/14/94/57/1139149457.db2.gz OEMSHPZRZORMLQ-ZBFHGGJFSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153738972 1139149460 /nfs/dbraw/zinc/14/94/60/1139149460.db2.gz OEMSHPZRZORMLQ-ZBFHGGJFSA-N 2 1 329.419 3.585 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000174453555 1139421316 /nfs/dbraw/zinc/42/13/16/1139421316.db2.gz JYGKDWMSGTYVNY-UHFFFAOYSA-N 2 1 329.416 3.810 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000178040669 1139664582 /nfs/dbraw/zinc/66/45/82/1139664582.db2.gz AOZZMJLYHSUHKC-KSZLIROESA-N 2 1 341.499 3.775 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccsc3)cc2)CC1 ZINC000178132894 1139672632 /nfs/dbraw/zinc/67/26/32/1139672632.db2.gz HNSNOFYGJJRMGY-QGZVFWFLSA-N 2 1 343.540 3.736 20 0 EHADMP Cc1noc(C)c1C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000178439290 1139695203 /nfs/dbraw/zinc/69/52/03/1139695203.db2.gz BVTMDHMHYIMTHS-DBIVSCPCSA-N 2 1 327.472 3.538 20 0 EHADMP Cc1noc(C)c1C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000178439290 1139695207 /nfs/dbraw/zinc/69/52/07/1139695207.db2.gz BVTMDHMHYIMTHS-DBIVSCPCSA-N 2 1 327.472 3.538 20 0 EHADMP CCC[N@H+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180113194 1139809502 /nfs/dbraw/zinc/80/95/02/1139809502.db2.gz GOGVKNQKSDTXNJ-XCSKNGGISA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180113194 1139809511 /nfs/dbraw/zinc/80/95/11/1139809511.db2.gz GOGVKNQKSDTXNJ-XCSKNGGISA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180113194 1139809517 /nfs/dbraw/zinc/80/95/17/1139809517.db2.gz GOGVKNQKSDTXNJ-XCSKNGGISA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180113194 1139809524 /nfs/dbraw/zinc/80/95/24/1139809524.db2.gz GOGVKNQKSDTXNJ-XCSKNGGISA-N 3 1 341.543 3.504 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180113194 1139809533 /nfs/dbraw/zinc/80/95/33/1139809533.db2.gz GOGVKNQKSDTXNJ-XCSKNGGISA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180113194 1139809541 /nfs/dbraw/zinc/80/95/41/1139809541.db2.gz GOGVKNQKSDTXNJ-XCSKNGGISA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180113194 1139809551 /nfs/dbraw/zinc/80/95/51/1139809551.db2.gz GOGVKNQKSDTXNJ-XCSKNGGISA-N 3 1 341.543 3.504 20 0 EHADMP CC(C)(C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180143030 1139812479 /nfs/dbraw/zinc/81/24/79/1139812479.db2.gz ZEYPIJUCNQHBGX-NXEWRWPSSA-N 2 1 330.516 3.569 20 0 EHADMP CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000181032976 1139881118 /nfs/dbraw/zinc/88/11/18/1139881118.db2.gz LFKSJKBZXDVQGX-UHFFFAOYSA-N 2 1 344.455 3.586 20 0 EHADMP CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)o1 ZINC000181032976 1139881125 /nfs/dbraw/zinc/88/11/25/1139881125.db2.gz LFKSJKBZXDVQGX-UHFFFAOYSA-N 2 1 344.455 3.586 20 0 EHADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1nccn1C ZINC000182841151 1139996316 /nfs/dbraw/zinc/99/63/16/1139996316.db2.gz HJWMEOYBRFXNOV-FQEVSTJZSA-N 2 1 340.515 3.893 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132190 1140014961 /nfs/dbraw/zinc/01/49/61/1140014961.db2.gz HVCCQZSUIYAWEF-JBACZVJFSA-N 2 1 339.483 3.682 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132190 1140014968 /nfs/dbraw/zinc/01/49/68/1140014968.db2.gz HVCCQZSUIYAWEF-JBACZVJFSA-N 2 1 339.483 3.682 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000183185483 1140018168 /nfs/dbraw/zinc/01/81/68/1140018168.db2.gz QAPPRPANFXOMNH-XYJFISCASA-N 2 1 344.499 3.761 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000184678695 1140114602 /nfs/dbraw/zinc/11/46/02/1140114602.db2.gz AAQFNJOQHHLACM-RISCZKNCSA-N 2 1 336.277 3.503 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@H+]1C ZINC000184678695 1140114603 /nfs/dbraw/zinc/11/46/03/1140114603.db2.gz AAQFNJOQHHLACM-RISCZKNCSA-N 2 1 336.277 3.503 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710653 1140165546 /nfs/dbraw/zinc/16/55/46/1140165546.db2.gz ILRRMYCMXDMONU-CABCVRRESA-N 2 1 349.906 3.521 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710653 1140165547 /nfs/dbraw/zinc/16/55/47/1140165547.db2.gz ILRRMYCMXDMONU-CABCVRRESA-N 2 1 349.906 3.521 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@H](C)C1 ZINC000186368395 1140200346 /nfs/dbraw/zinc/20/03/46/1140200346.db2.gz MATIZNLGFLLGQU-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000191297168 1140452383 /nfs/dbraw/zinc/45/23/83/1140452383.db2.gz UIRWWWFWACDLHV-STQMWFEESA-N 2 1 328.909 3.553 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4occc43)CC2)oc1C ZINC000192856631 1140553992 /nfs/dbraw/zinc/55/39/92/1140553992.db2.gz WPIMPXFPAGOMGO-GOSISDBHSA-N 2 1 343.471 3.764 20 0 EHADMP c1coc(-c2ncc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)s2)c1 ZINC000193138809 1140565397 /nfs/dbraw/zinc/56/53/97/1140565397.db2.gz YCFWNTYSIHEADW-UHFFFAOYSA-N 2 1 331.485 3.900 20 0 EHADMP CC(C)OCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193279594 1140569251 /nfs/dbraw/zinc/56/92/51/1140569251.db2.gz SGGZINPSYSWEHC-SEJPIABJSA-N 2 1 330.516 3.977 20 0 EHADMP CCCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000268809762 1140996934 /nfs/dbraw/zinc/99/69/34/1140996934.db2.gz LUSNXFWTWDYWNG-HNNXBMFYSA-N 2 1 331.460 3.730 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269005538 1141043895 /nfs/dbraw/zinc/04/38/95/1141043895.db2.gz VXUPEUGDMFOXNU-JBACZVJFSA-N 2 1 332.532 3.531 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269092404 1141062885 /nfs/dbraw/zinc/06/28/85/1141062885.db2.gz QUWPUKSYWWHDRY-WIYYLYMNSA-N 3 1 343.559 3.892 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402519 1141218398 /nfs/dbraw/zinc/21/83/98/1141218398.db2.gz AHLZOWSTHJQZED-SPEDKVCISA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402519 1141218400 /nfs/dbraw/zinc/21/84/00/1141218400.db2.gz AHLZOWSTHJQZED-SPEDKVCISA-N 2 1 338.495 3.883 20 0 EHADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@@H]4CCC[NH+]4C)CC3)c2c1 ZINC000271340187 1141348646 /nfs/dbraw/zinc/34/86/46/1141348646.db2.gz WYLVWGSDGDFATG-KRWDZBQOSA-N 2 1 339.483 3.750 20 0 EHADMP COc1ccc2[nH]cc(C3=CC[NH+](CC[C@@H]4CCC[N@@H+]4C)CC3)c2c1 ZINC000271340187 1141348650 /nfs/dbraw/zinc/34/86/50/1141348650.db2.gz WYLVWGSDGDFATG-KRWDZBQOSA-N 2 1 339.483 3.750 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000271504026 1141382328 /nfs/dbraw/zinc/38/23/28/1141382328.db2.gz MNVYQZUFJKXKNF-ZYSHUDEJSA-N 2 1 342.483 3.851 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000274180783 1141482807 /nfs/dbraw/zinc/48/28/07/1141482807.db2.gz FGHQWZQNJRRVAK-GHTZIAJQSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000274180783 1141482809 /nfs/dbraw/zinc/48/28/09/1141482809.db2.gz FGHQWZQNJRRVAK-GHTZIAJQSA-N 2 1 330.516 3.693 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000339249420 1141540423 /nfs/dbraw/zinc/54/04/23/1141540423.db2.gz CHUDKUIRWOWZGF-UHFFFAOYSA-N 2 1 327.472 3.903 20 0 EHADMP Fc1cccc(CCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000348758005 1141576198 /nfs/dbraw/zinc/57/61/98/1141576198.db2.gz ZXVPQUONFYQHSZ-NRFANRHFSA-N 2 1 341.474 3.798 20 0 EHADMP CCc1noc(C)c1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328606755 258040611 /nfs/dbraw/zinc/04/06/11/258040611.db2.gz SVFOWHCQPVSSSI-GOSISDBHSA-N 2 1 345.512 3.751 20 0 EHADMP CCc1noc(C)c1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328606755 258040613 /nfs/dbraw/zinc/04/06/13/258040613.db2.gz SVFOWHCQPVSSSI-GOSISDBHSA-N 2 1 345.512 3.751 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CC2CC[NH+](C)CC2)nc1 ZINC001165044647 721938671 /nfs/dbraw/zinc/93/86/71/721938671.db2.gz QDNNAVMOKHGJLE-HXUWFJFHSA-N 2 1 344.547 3.797 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000657838674 1032078872 /nfs/dbraw/zinc/07/88/72/1032078872.db2.gz XFPYHRYGKPVWCY-XLIONFOSSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657838675 1032080916 /nfs/dbraw/zinc/08/09/16/1032080916.db2.gz XFPYHRYGKPVWCY-YLJYHZDGSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000153832020 1014137143 /nfs/dbraw/zinc/13/71/43/1014137143.db2.gz HJLNCUMHGNPVBY-CMKODMSKSA-N 2 1 329.532 3.722 20 0 EHADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000339390834 1014325335 /nfs/dbraw/zinc/32/53/35/1014325335.db2.gz GSXNRCGVWAUFQL-NVXWUHKLSA-N 2 1 346.450 3.634 20 0 EHADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1O ZINC000459431416 1032117031 /nfs/dbraw/zinc/11/70/31/1032117031.db2.gz RSQCSWNKHWTMED-UHFFFAOYSA-N 2 1 332.488 3.678 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000339682734 1015510849 /nfs/dbraw/zinc/51/08/49/1015510849.db2.gz SESWPSXLIIYXMX-SJLPKXTDSA-N 2 1 336.545 3.686 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)C(C)C ZINC000459446128 1032131239 /nfs/dbraw/zinc/13/12/39/1032131239.db2.gz SUEYCRSZOSFBNL-LJQANCHMSA-N 2 1 347.547 3.510 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCCC2=O)cc1 ZINC000160278573 1016444307 /nfs/dbraw/zinc/44/43/07/1016444307.db2.gz JAHLEUUQSDNICO-ROUUACIJSA-N 2 1 343.515 3.729 20 0 EHADMP Cc1ccc2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001167207568 1016584633 /nfs/dbraw/zinc/58/46/33/1016584633.db2.gz BLLJKKNSFJUZJY-KNQAVFIVSA-N 2 1 329.447 3.521 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000376665421 1016966019 /nfs/dbraw/zinc/96/60/19/1016966019.db2.gz UMJJJMDIPVJUFJ-QGZVFWFLSA-N 2 1 326.488 3.617 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449108314 1032187916 /nfs/dbraw/zinc/18/79/16/1032187916.db2.gz UIBAUABZJONIDY-SFHVURJKSA-N 2 1 343.540 3.750 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449108314 1032187923 /nfs/dbraw/zinc/18/79/23/1032187923.db2.gz UIBAUABZJONIDY-SFHVURJKSA-N 2 1 343.540 3.750 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449136642 1032232190 /nfs/dbraw/zinc/23/21/90/1032232190.db2.gz BZXFZTZQRGMRFL-LPHOPBHVSA-N 2 1 330.472 3.659 20 0 EHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000538269612 1032261794 /nfs/dbraw/zinc/26/17/94/1032261794.db2.gz JIUMPOGDPNEZBH-RXVVDRJESA-N 2 1 328.500 3.601 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000538446967 1032374940 /nfs/dbraw/zinc/37/49/40/1032374940.db2.gz REYDRKONYLMPBZ-UHFFFAOYSA-N 2 1 340.442 3.756 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000536875307 1032376596 /nfs/dbraw/zinc/37/65/96/1032376596.db2.gz HQWHBIXJHNPANY-OCCSQVGLSA-N 2 1 331.287 3.692 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784036 1032466920 /nfs/dbraw/zinc/46/69/20/1032466920.db2.gz NXLGNRBVOCFTAY-WMZOPIPTSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459784036 1032466923 /nfs/dbraw/zinc/46/69/23/1032466923.db2.gz NXLGNRBVOCFTAY-WMZOPIPTSA-N 3 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784036 1032466925 /nfs/dbraw/zinc/46/69/25/1032466925.db2.gz NXLGNRBVOCFTAY-WMZOPIPTSA-N 3 1 326.488 3.563 20 0 EHADMP c1c2cccnc2oc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000449335285 1032471139 /nfs/dbraw/zinc/47/11/39/1032471139.db2.gz KSMWYFHDDLRPST-PMACEKPBSA-N 2 1 347.462 3.782 20 0 EHADMP c1c2cccnc2oc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000449335285 1032471144 /nfs/dbraw/zinc/47/11/44/1032471144.db2.gz KSMWYFHDDLRPST-PMACEKPBSA-N 2 1 347.462 3.782 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797415 1032480919 /nfs/dbraw/zinc/48/09/19/1032480919.db2.gz WPTOYHBGLWWXHW-WBVHZDCISA-N 2 1 340.458 3.931 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000090525399 1032582350 /nfs/dbraw/zinc/58/23/50/1032582350.db2.gz KWTWPBAMFPKTGQ-QYZOEREBSA-N 2 1 346.515 3.651 20 0 EHADMP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000547928464 1017379493 /nfs/dbraw/zinc/37/94/93/1017379493.db2.gz BQKZWCRAAXWSRQ-QGZVFWFLSA-N 2 1 326.406 3.797 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)o1 ZINC000415035705 1017427776 /nfs/dbraw/zinc/42/77/76/1017427776.db2.gz FDZCCSQUCSLNFE-ZBFHGGJFSA-N 2 1 331.485 3.676 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)o1 ZINC000415035705 1017427786 /nfs/dbraw/zinc/42/77/86/1017427786.db2.gz FDZCCSQUCSLNFE-ZBFHGGJFSA-N 2 1 331.485 3.676 20 0 EHADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655708924 1017430295 /nfs/dbraw/zinc/43/02/95/1017430295.db2.gz PSUHHGIMVPZKCA-HXUWFJFHSA-N 2 1 330.516 3.506 20 0 EHADMP Clc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000415033809 1017438232 /nfs/dbraw/zinc/43/82/32/1017438232.db2.gz HGNSYTBMGDUUTN-CYBMUJFWSA-N 2 1 336.888 3.537 20 0 EHADMP Cc1noc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111391413 1017474944 /nfs/dbraw/zinc/47/49/44/1017474944.db2.gz OVSRVQNOBWPRKD-YQQQUEKLSA-N 2 1 325.456 3.577 20 0 EHADMP Cc1noc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111391413 1017474948 /nfs/dbraw/zinc/47/49/48/1017474948.db2.gz OVSRVQNOBWPRKD-YQQQUEKLSA-N 2 1 325.456 3.577 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415054591 1017479854 /nfs/dbraw/zinc/47/98/54/1017479854.db2.gz QAECEUWRTYKJDS-GOEBONIOSA-N 2 1 328.378 3.549 20 0 EHADMP Clc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655736591 1017492919 /nfs/dbraw/zinc/49/29/19/1017492919.db2.gz HUJRZPOCCRWISH-QGZVFWFLSA-N 2 1 348.918 3.605 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738178 1017500722 /nfs/dbraw/zinc/50/07/22/1017500722.db2.gz SQVKHFMENASMDR-MISYRCLQSA-N 2 1 338.499 3.608 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)c1 ZINC000924606278 1017502378 /nfs/dbraw/zinc/50/23/78/1017502378.db2.gz CDCQBUJNEDLFMI-GOSISDBHSA-N 2 1 330.859 3.763 20 0 EHADMP Cc1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c(C)c1 ZINC000655771868 1017571356 /nfs/dbraw/zinc/57/13/56/1017571356.db2.gz PPHKYDCMSYITCN-HXUWFJFHSA-N 2 1 342.527 3.568 20 0 EHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000415118740 1017576626 /nfs/dbraw/zinc/57/66/26/1017576626.db2.gz DXDVGKZKKNMRMQ-IAGOWNOFSA-N 2 1 343.298 3.712 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCCC(C)C ZINC000415132335 1017598455 /nfs/dbraw/zinc/59/84/55/1017598455.db2.gz UACVJRGALYPGBP-WMZOPIPTSA-N 2 1 334.504 3.537 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000655788227 1017604505 /nfs/dbraw/zinc/60/45/05/1017604505.db2.gz FNBXUXHZACHWNJ-CIQXWFTPSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000655788227 1017604510 /nfs/dbraw/zinc/60/45/10/1017604510.db2.gz FNBXUXHZACHWNJ-CIQXWFTPSA-N 2 1 342.527 3.977 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)CCCC(=O)Nc2c(C)cccc2C)CC1 ZINC000137302072 1032716969 /nfs/dbraw/zinc/71/69/69/1032716969.db2.gz JPEQFHWGOKMVME-UHFFFAOYSA-N 2 1 345.531 3.828 20 0 EHADMP CO[C@@]1(C)CCC[NH+](CCCC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377394348 1017746621 /nfs/dbraw/zinc/74/66/21/1017746621.db2.gz XFAXRMYDFZZDAM-PMACEKPBSA-N 2 1 340.552 3.549 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000655848592 1017765674 /nfs/dbraw/zinc/76/56/74/1017765674.db2.gz IHPUBDWVVLFKEG-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000655848592 1017765687 /nfs/dbraw/zinc/76/56/87/1017765687.db2.gz IHPUBDWVVLFKEG-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000655848592 1017765701 /nfs/dbraw/zinc/76/57/01/1017765701.db2.gz IHPUBDWVVLFKEG-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659847936 1018017371 /nfs/dbraw/zinc/01/73/71/1018017371.db2.gz SZPUIAVERDPDAA-UHFFFAOYSA-N 2 1 326.488 3.574 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@@H]1c1cccs1 ZINC000893021323 1018187263 /nfs/dbraw/zinc/18/72/63/1018187263.db2.gz SOFMIVVYTUGPDO-KBXCAEBGSA-N 2 1 334.460 3.766 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@@H]1c1cccs1 ZINC000893021323 1018187271 /nfs/dbraw/zinc/18/72/71/1018187271.db2.gz SOFMIVVYTUGPDO-KBXCAEBGSA-N 2 1 334.460 3.766 20 0 EHADMP Cc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398014172 1018951398 /nfs/dbraw/zinc/95/13/98/1018951398.db2.gz FJVFTCNDHTVAQQ-GCJKJVERSA-N 2 1 333.479 3.867 20 0 EHADMP COCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580325336 1019041563 /nfs/dbraw/zinc/04/15/63/1019041563.db2.gz WLJSHMCHAVCBKX-IBGZPJMESA-N 2 1 328.500 3.590 20 0 EHADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580325336 1019041573 /nfs/dbraw/zinc/04/15/73/1019041573.db2.gz WLJSHMCHAVCBKX-IBGZPJMESA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639343499 1019219807 /nfs/dbraw/zinc/21/98/07/1019219807.db2.gz JSSWPAZWUCFCIS-LMNJBCLMSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639343499 1019219827 /nfs/dbraw/zinc/21/98/27/1019219827.db2.gz JSSWPAZWUCFCIS-LMNJBCLMSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557642 1019332460 /nfs/dbraw/zinc/33/24/60/1019332460.db2.gz OKVBXAZPYMDYPG-CBGDNZLLSA-N 2 1 348.494 3.844 20 0 EHADMP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000155765505 1019516663 /nfs/dbraw/zinc/51/66/63/1019516663.db2.gz ARERRINFQMYNNK-ROUUACIJSA-N 2 1 340.515 3.986 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000471590000 1019562022 /nfs/dbraw/zinc/56/20/22/1019562022.db2.gz UAFNNKMAZHXZLD-CJGGRQNCSA-N 2 1 330.516 3.689 20 0 EHADMP COC1CCC(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000894225288 1019634265 /nfs/dbraw/zinc/63/42/65/1019634265.db2.gz BQXXLKVYGOSHKQ-MNLRITNHSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1nc(C)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000092821383 1032845744 /nfs/dbraw/zinc/84/57/44/1032845744.db2.gz YIDDVDWQZIPIPV-UHFFFAOYSA-N 2 1 344.528 3.893 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000513480167 1019731715 /nfs/dbraw/zinc/73/17/15/1019731715.db2.gz XVCZWANEMOHCEQ-UTKZUKDTSA-N 2 1 326.484 3.583 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000513507568 1019751711 /nfs/dbraw/zinc/75/17/11/1019751711.db2.gz VBSLMBKWKHOTOD-PKOBYXMFSA-N 2 1 348.494 3.953 20 0 EHADMP Cc1noc(C)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544027 1019810524 /nfs/dbraw/zinc/81/05/24/1019810524.db2.gz CBEQFWGGKICVKF-HNAYVOBHSA-N 2 1 327.472 3.682 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000513587864 1019847474 /nfs/dbraw/zinc/84/74/74/1019847474.db2.gz BXIVLTBHLZMTMJ-DCXXXQMHSA-N 2 1 330.516 3.964 20 0 EHADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000340749012 1019939878 /nfs/dbraw/zinc/93/98/78/1019939878.db2.gz ZISVZJJRCCCWSM-BODMPHMZSA-N 2 1 338.854 3.526 20 0 EHADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccccc2o1 ZINC000345244125 1020092240 /nfs/dbraw/zinc/09/22/40/1020092240.db2.gz OHNUDTYOVJJHCT-HXUWFJFHSA-N 2 1 330.472 3.566 20 0 EHADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)CC(C)C ZINC000684112210 1020243969 /nfs/dbraw/zinc/24/39/69/1020243969.db2.gz KYRSRTCEASRIBB-QRVBRYPASA-N 2 1 334.552 3.792 20 0 EHADMP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000280392086 1020357396 /nfs/dbraw/zinc/35/73/96/1020357396.db2.gz ZTLLIJBVIFKCNP-UHFFFAOYSA-N 2 1 345.874 3.716 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430542674 1020585069 /nfs/dbraw/zinc/58/50/69/1020585069.db2.gz CPOZLSWLBABGTD-VQIMIIECSA-N 2 1 342.458 3.964 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000513702961 1020637363 /nfs/dbraw/zinc/63/73/63/1020637363.db2.gz OYNBAOWLMTVZFL-KCXAZCMYSA-N 2 1 341.268 3.551 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600311 1021136663 /nfs/dbraw/zinc/13/66/63/1021136663.db2.gz KCHPNGCLURJWEL-ZBFHGGJFSA-N 2 1 328.422 3.956 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1O ZINC000426404157 1021506934 /nfs/dbraw/zinc/50/69/34/1021506934.db2.gz HMCJUKFIDKFYAO-XGHQBKJUSA-N 2 1 348.531 3.822 20 0 EHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652756334 1021572912 /nfs/dbraw/zinc/57/29/12/1021572912.db2.gz BNQXTUJCUAGZFV-QGZVFWFLSA-N 2 1 348.535 3.558 20 0 EHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000652756334 1021572924 /nfs/dbraw/zinc/57/29/24/1021572924.db2.gz BNQXTUJCUAGZFV-QGZVFWFLSA-N 2 1 348.535 3.558 20 0 EHADMP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000516620381 1021601401 /nfs/dbraw/zinc/60/14/01/1021601401.db2.gz JSCCBRRYJSARQG-KJJMTIBFSA-N 2 1 342.527 3.713 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000516814814 1021748823 /nfs/dbraw/zinc/74/88/23/1021748823.db2.gz HRXTTYZRPMEFAS-QGZVFWFLSA-N 2 1 349.950 3.624 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400658711 1021833763 /nfs/dbraw/zinc/83/37/63/1021833763.db2.gz VSBZJCZTGKKOOT-UXHICEINSA-N 2 1 330.516 3.693 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400658711 1021833778 /nfs/dbraw/zinc/83/37/78/1021833778.db2.gz VSBZJCZTGKKOOT-UXHICEINSA-N 2 1 330.516 3.693 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)CC1 ZINC000581831189 1021846298 /nfs/dbraw/zinc/84/62/98/1021846298.db2.gz ITSXEXJYYKRNGG-INIZCTEOSA-N 2 1 337.305 3.613 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471761963 1022070281 /nfs/dbraw/zinc/07/02/81/1022070281.db2.gz SJCKDUZJRKRTBK-SJORKVTESA-N 2 1 337.389 3.907 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccncc1 ZINC000647189602 1022088463 /nfs/dbraw/zinc/08/84/63/1022088463.db2.gz FXSLQFHMYDTOFP-RXVVDRJESA-N 2 1 335.495 3.972 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccncc1 ZINC000647189602 1022088477 /nfs/dbraw/zinc/08/84/77/1022088477.db2.gz FXSLQFHMYDTOFP-RXVVDRJESA-N 2 1 335.495 3.972 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000441273907 1022122403 /nfs/dbraw/zinc/12/24/03/1022122403.db2.gz DTEWYDAVTJFJOU-UHFFFAOYSA-N 2 1 342.270 3.899 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000441273907 1022122412 /nfs/dbraw/zinc/12/24/12/1022122412.db2.gz DTEWYDAVTJFJOU-UHFFFAOYSA-N 2 1 342.270 3.899 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCCSC4)[C@H]3C2)cc1 ZINC000425922347 1022210707 /nfs/dbraw/zinc/21/07/07/1022210707.db2.gz JYAWQOGCMLLLEZ-YRPNKDGESA-N 2 1 330.541 3.772 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)C[NH+](C)C ZINC000425936308 1022269590 /nfs/dbraw/zinc/26/95/90/1022269590.db2.gz MENBLFQDZGFTLV-SMDDNHRTSA-N 2 1 331.287 3.994 20 0 EHADMP Fc1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc(C(F)(F)F)c1F ZINC001204742720 1022281302 /nfs/dbraw/zinc/28/13/02/1022281302.db2.gz RGWWOELYYJGQDB-UHFFFAOYSA-N 2 1 348.359 3.949 20 0 EHADMP COCCOc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000473924676 1022299536 /nfs/dbraw/zinc/29/95/36/1022299536.db2.gz VTOYQOBDPKDEQV-UHFFFAOYSA-N 2 1 346.515 3.599 20 0 EHADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000550077840 1022347095 /nfs/dbraw/zinc/34/70/95/1022347095.db2.gz GNKYMHAHPMUDSV-MSOLQXFVSA-N 2 1 338.536 3.743 20 0 EHADMP c1ccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995453 1022439801 /nfs/dbraw/zinc/43/98/01/1022439801.db2.gz GFHYERLJOFBJAL-XQXKNUKBSA-N 2 1 340.511 3.935 20 0 EHADMP c1ccc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995453 1022439809 /nfs/dbraw/zinc/43/98/09/1022439809.db2.gz GFHYERLJOFBJAL-XQXKNUKBSA-N 2 1 340.511 3.935 20 0 EHADMP c1ccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995453 1022439818 /nfs/dbraw/zinc/43/98/18/1022439818.db2.gz GFHYERLJOFBJAL-XQXKNUKBSA-N 2 1 340.511 3.935 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3(Cl)CC3)CC2)cs1 ZINC000925030879 1022543195 /nfs/dbraw/zinc/54/31/95/1022543195.db2.gz KYEMCBZWYPKSPD-CYBMUJFWSA-N 2 1 341.952 3.667 20 0 EHADMP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000647979516 1022556416 /nfs/dbraw/zinc/55/64/16/1022556416.db2.gz ACJUCTFVCCODKD-IYBDPMFKSA-N 2 1 326.406 3.569 20 0 EHADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993855 1022608728 /nfs/dbraw/zinc/60/87/28/1022608728.db2.gz MXCNAICPCCSKEB-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993855 1022608734 /nfs/dbraw/zinc/60/87/34/1022608734.db2.gz MXCNAICPCCSKEB-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993855 1022608742 /nfs/dbraw/zinc/60/87/42/1022608742.db2.gz MXCNAICPCCSKEB-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993855 1022608749 /nfs/dbraw/zinc/60/87/49/1022608749.db2.gz MXCNAICPCCSKEB-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000111685911 1022704854 /nfs/dbraw/zinc/70/48/54/1022704854.db2.gz BHXXRLAGTQKXGQ-NRFANRHFSA-N 2 1 346.563 3.806 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C2CCCC2)cc1 ZINC000517832224 1022731793 /nfs/dbraw/zinc/73/17/93/1022731793.db2.gz AFYKGZWQLNWSFM-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000517832224 1022731805 /nfs/dbraw/zinc/73/18/05/1022731805.db2.gz AFYKGZWQLNWSFM-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000517832224 1022731815 /nfs/dbraw/zinc/73/18/15/1022731815.db2.gz AFYKGZWQLNWSFM-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981762 1022786346 /nfs/dbraw/zinc/78/63/46/1022786346.db2.gz IUSMFAORJRESOG-KUJXNZTCSA-N 2 1 333.564 3.634 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158093333 1022823065 /nfs/dbraw/zinc/82/30/65/1022823065.db2.gz QSKKIVOMNSYIQC-DLBZAZTESA-N 2 1 346.519 3.553 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430927057 1022886125 /nfs/dbraw/zinc/88/61/25/1022886125.db2.gz HVPHXFPQTMDKRE-DLBZAZTESA-N 2 1 337.467 3.541 20 0 EHADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441455547 1022901561 /nfs/dbraw/zinc/90/15/61/1022901561.db2.gz DPEVKBAXDQGVAM-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441455547 1022901572 /nfs/dbraw/zinc/90/15/72/1022901572.db2.gz DPEVKBAXDQGVAM-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2csc(Br)c2)C[C@@H]1C ZINC000353771658 1022924086 /nfs/dbraw/zinc/92/40/86/1022924086.db2.gz XOMDSXNPYWWXEI-AAEUAGOBSA-N 2 1 331.323 3.815 20 0 EHADMP C[C@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430956674 1022956269 /nfs/dbraw/zinc/95/62/69/1022956269.db2.gz PNYVVYFEVCIYEX-DZGCQCFKSA-N 2 1 330.394 3.534 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189266753 1023003994 /nfs/dbraw/zinc/00/39/94/1023003994.db2.gz MVVVGGNLDCZRHO-RBBKRZOGSA-N 2 1 344.543 3.877 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000518265772 1023174968 /nfs/dbraw/zinc/17/49/68/1023174968.db2.gz BQKUHXWVFSTHJY-DHZHZOJOSA-N 2 1 349.522 3.627 20 0 EHADMP COCc1ccccc1/C=C(/C)CN[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000510809565 1023199394 /nfs/dbraw/zinc/19/93/94/1023199394.db2.gz HKGUWRVYOCXMON-QUHSPFQSSA-N 2 1 328.500 3.843 20 0 EHADMP COc1ccccc1OCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506480759 1023263724 /nfs/dbraw/zinc/26/37/24/1023263724.db2.gz MSBJZILQIPHFMZ-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480759 1023263728 /nfs/dbraw/zinc/26/37/28/1023263728.db2.gz MSBJZILQIPHFMZ-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480759 1023263733 /nfs/dbraw/zinc/26/37/33/1023263733.db2.gz MSBJZILQIPHFMZ-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506480759 1023263741 /nfs/dbraw/zinc/26/37/41/1023263741.db2.gz MSBJZILQIPHFMZ-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506480759 1023263749 /nfs/dbraw/zinc/26/37/49/1023263749.db2.gz MSBJZILQIPHFMZ-RBUKOAKNSA-N 2 1 346.515 3.660 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1nccn1C ZINC000341755782 1023264504 /nfs/dbraw/zinc/26/45/04/1023264504.db2.gz AJBZSRNULLLQNO-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1nccn1C ZINC000341755782 1023264513 /nfs/dbraw/zinc/26/45/13/1023264513.db2.gz AJBZSRNULLLQNO-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1nccn1C ZINC000341755781 1023264885 /nfs/dbraw/zinc/26/48/85/1023264885.db2.gz AJBZSRNULLLQNO-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1nccn1C ZINC000341755781 1023264891 /nfs/dbraw/zinc/26/48/91/1023264891.db2.gz AJBZSRNULLLQNO-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253761 1023370355 /nfs/dbraw/zinc/37/03/55/1023370355.db2.gz FHNXCIIHLAVKIS-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253761 1023370358 /nfs/dbraw/zinc/37/03/58/1023370358.db2.gz FHNXCIIHLAVKIS-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253761 1023370366 /nfs/dbraw/zinc/37/03/66/1023370366.db2.gz FHNXCIIHLAVKIS-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253761 1023370371 /nfs/dbraw/zinc/37/03/71/1023370371.db2.gz FHNXCIIHLAVKIS-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP COCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000449740104 1033139348 /nfs/dbraw/zinc/13/93/48/1033139348.db2.gz DYYXKASKSJBYSA-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000535684913 1023564056 /nfs/dbraw/zinc/56/40/56/1023564056.db2.gz CCGUQUMUCXFRMR-MJGOQNOKSA-N 2 1 336.907 3.544 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449741109 1033142031 /nfs/dbraw/zinc/14/20/31/1033142031.db2.gz SNYADBHJRBIUJA-UYAOXDASSA-N 2 1 344.543 3.818 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535777722 1023626321 /nfs/dbraw/zinc/62/63/21/1023626321.db2.gz SPBGERGOWRQLHG-CYBMUJFWSA-N 2 1 328.859 3.631 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000657182877 1023917821 /nfs/dbraw/zinc/91/78/21/1023917821.db2.gz XIVPBTHQWKVKHR-SJORKVTESA-N 2 1 334.504 3.694 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)CC2)oc1C ZINC000657879926 1033173941 /nfs/dbraw/zinc/17/39/41/1033173941.db2.gz VHONHXHYTPAITC-WSTZPKSXSA-N 2 1 345.531 3.918 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3ccsc3)n2)CC1 ZINC000738090036 1023958379 /nfs/dbraw/zinc/95/83/79/1023958379.db2.gz OYDOEZXTYOMGJX-UHFFFAOYSA-N 2 1 332.517 3.621 20 0 EHADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000522191076 1024011708 /nfs/dbraw/zinc/01/17/08/1024011708.db2.gz FYZQPWZERIZURX-FQEVSTJZSA-N 2 1 343.515 3.528 20 0 EHADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236715515 1024079978 /nfs/dbraw/zinc/07/99/78/1024079978.db2.gz JYKGVDLGQMAXLO-INIZCTEOSA-N 2 1 331.504 3.765 20 0 EHADMP C[C@@H](CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039539 1024188668 /nfs/dbraw/zinc/18/86/68/1024188668.db2.gz POPSXWWQEKHVQW-RXVVDRJESA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H](CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039539 1024188676 /nfs/dbraw/zinc/18/86/76/1024188676.db2.gz POPSXWWQEKHVQW-RXVVDRJESA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H](CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039539 1024188680 /nfs/dbraw/zinc/18/86/80/1024188680.db2.gz POPSXWWQEKHVQW-RXVVDRJESA-N 2 1 330.516 3.646 20 0 EHADMP COCCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366591374 1024326215 /nfs/dbraw/zinc/32/62/15/1024326215.db2.gz LBMXWJCAJSMCHO-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2C)CC1 ZINC000190695297 1024341191 /nfs/dbraw/zinc/34/11/91/1024341191.db2.gz JVOMVWYZOVUJBS-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CCO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025392 1024381532 /nfs/dbraw/zinc/38/15/32/1024381532.db2.gz KASZULLYXYOHRE-LHZDDQLASA-N 2 1 344.543 3.959 20 0 EHADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000434757513 1024407379 /nfs/dbraw/zinc/40/73/79/1024407379.db2.gz PXZZOLCZMVGLEZ-LSTHTHJFSA-N 2 1 330.516 3.558 20 0 EHADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511007701 1024413426 /nfs/dbraw/zinc/41/34/26/1024413426.db2.gz BWWOZXVIHFFQQZ-PMACEKPBSA-N 2 1 332.532 3.938 20 0 EHADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511007701 1024413433 /nfs/dbraw/zinc/41/34/33/1024413433.db2.gz BWWOZXVIHFFQQZ-PMACEKPBSA-N 2 1 332.532 3.938 20 0 EHADMP COc1ccc([C@@H](C)[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000346118050 1024417257 /nfs/dbraw/zinc/41/72/57/1024417257.db2.gz CJGQXWSIXHVGQA-MRXNPFEDSA-N 2 1 336.439 3.777 20 0 EHADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CCCCC1 ZINC000414853512 1024420887 /nfs/dbraw/zinc/42/08/87/1024420887.db2.gz SSQVOLKNAVOJOB-NRFANRHFSA-N 2 1 339.483 3.658 20 0 EHADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377327 1024424313 /nfs/dbraw/zinc/42/43/13/1024424313.db2.gz DZQCBMYOEDRAIS-MAUKXSAKSA-N 2 1 344.528 3.757 20 0 EHADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377327 1024424315 /nfs/dbraw/zinc/42/43/15/1024424315.db2.gz DZQCBMYOEDRAIS-MAUKXSAKSA-N 2 1 344.528 3.757 20 0 EHADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346161180 1024474000 /nfs/dbraw/zinc/47/40/00/1024474000.db2.gz DTCWGTZPMPHZEW-RTBURBONSA-N 2 1 342.487 3.601 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000346161298 1024474873 /nfs/dbraw/zinc/47/48/73/1024474873.db2.gz XLOVMHAGTRMCLO-NRFANRHFSA-N 2 1 348.450 3.921 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC000434991305 1024545422 /nfs/dbraw/zinc/54/54/22/1024545422.db2.gz MEXHQSXKSGDDOX-JOCHJYFZSA-N 2 1 335.495 3.776 20 0 EHADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000346284913 1024603573 /nfs/dbraw/zinc/60/35/73/1024603573.db2.gz YSPGCESGYIFAED-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000346284913 1024603584 /nfs/dbraw/zinc/60/35/84/1024603584.db2.gz YSPGCESGYIFAED-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000342273636 1024680540 /nfs/dbraw/zinc/68/05/40/1024680540.db2.gz GQCXFTQCXWZLDK-YPMHNXCESA-N 2 1 335.439 3.663 20 0 EHADMP OCC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882351 1033224164 /nfs/dbraw/zinc/22/41/64/1033224164.db2.gz JNNOZPUNGRUFEU-LEWJYISDSA-N 2 1 342.527 3.714 20 0 EHADMP OCC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882351 1033224174 /nfs/dbraw/zinc/22/41/74/1033224174.db2.gz JNNOZPUNGRUFEU-LEWJYISDSA-N 2 1 342.527 3.714 20 0 EHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281138625 1024689655 /nfs/dbraw/zinc/68/96/55/1024689655.db2.gz ABDFPDDLPBPKLB-GFCCVEGCSA-N 2 1 325.884 3.507 20 0 EHADMP C[C@H]1CC(NCc2[nH+]cn3ccccc23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032317 1024693545 /nfs/dbraw/zinc/69/35/45/1024693545.db2.gz HOUYYOXGWZPXAU-ROUUACIJSA-N 2 1 348.494 3.866 20 0 EHADMP Fc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(F)c1F ZINC000657296435 1024701010 /nfs/dbraw/zinc/70/10/10/1024701010.db2.gz HUXVSAPXSHFUKF-UHFFFAOYSA-N 2 1 334.385 3.990 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CCC2)cc1 ZINC000427721594 1024754417 /nfs/dbraw/zinc/75/44/17/1024754417.db2.gz IOZQHXMUXFSUHD-QFIPXVFZSA-N 2 1 343.559 3.699 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000514802394 1024754603 /nfs/dbraw/zinc/75/46/03/1024754603.db2.gz WOHZJPAXSTVFKZ-OAHLLOKOSA-N 2 1 339.321 3.626 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895788794 1024835883 /nfs/dbraw/zinc/83/58/83/1024835883.db2.gz HHLNZUBHOCTPKK-TYPHKJRUSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895788794 1024835908 /nfs/dbraw/zinc/83/59/08/1024835908.db2.gz HHLNZUBHOCTPKK-TYPHKJRUSA-N 2 1 340.511 3.903 20 0 EHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCc1cccs1 ZINC000435368645 1024852031 /nfs/dbraw/zinc/85/20/31/1024852031.db2.gz BZSDLXCPMWAEMW-HOCLYGCPSA-N 2 1 346.496 3.505 20 0 EHADMP [NH3+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000435380015 1024859879 /nfs/dbraw/zinc/85/98/79/1024859879.db2.gz PDCFEYFQBNOTNB-UHFFFAOYSA-N 2 1 338.480 3.524 20 0 EHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1Cl ZINC000157341825 1024881868 /nfs/dbraw/zinc/88/18/68/1024881868.db2.gz XWYAIZRDXMZQRO-INIZCTEOSA-N 2 1 349.906 3.619 20 0 EHADMP COc1ccsc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426111 1024913301 /nfs/dbraw/zinc/91/33/01/1024913301.db2.gz GLZYNNNFNDLICS-QGZVFWFLSA-N 2 1 348.537 3.963 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H](C)Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435438433 1024926591 /nfs/dbraw/zinc/92/65/91/1024926591.db2.gz PUQVGHUFYOKSHC-VQIMIIECSA-N 2 1 343.540 3.742 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000157540757 1024946141 /nfs/dbraw/zinc/94/61/41/1024946141.db2.gz CZRORFACOOESAW-GYCJOSAFSA-N 2 1 348.556 3.872 20 0 EHADMP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000115611859 1024946235 /nfs/dbraw/zinc/94/62/35/1024946235.db2.gz RALLCIXWWDEGHD-ZDUSSCGKSA-N 2 1 332.394 3.799 20 0 EHADMP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000115611859 1024946246 /nfs/dbraw/zinc/94/62/46/1024946246.db2.gz RALLCIXWWDEGHD-ZDUSSCGKSA-N 2 1 332.394 3.799 20 0 EHADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000428030290 1024947963 /nfs/dbraw/zinc/94/79/63/1024947963.db2.gz CVCIADRMVIUNKB-NQIIRXRSSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000428030290 1024947979 /nfs/dbraw/zinc/94/79/79/1024947979.db2.gz CVCIADRMVIUNKB-NQIIRXRSSA-N 2 1 340.442 3.589 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657311336 1024998755 /nfs/dbraw/zinc/99/87/55/1024998755.db2.gz JYUUXSBGLYASNX-NQIIRXRSSA-N 2 1 346.515 3.599 20 0 EHADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC ZINC000375773100 1033256339 /nfs/dbraw/zinc/25/63/39/1033256339.db2.gz YZCLPYJMWQWWDH-JWTNVVGKSA-N 2 1 332.488 3.541 20 0 EHADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC ZINC000375773100 1033256348 /nfs/dbraw/zinc/25/63/48/1033256348.db2.gz YZCLPYJMWQWWDH-JWTNVVGKSA-N 2 1 332.488 3.541 20 0 EHADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000375773100 1033256361 /nfs/dbraw/zinc/25/63/61/1033256361.db2.gz YZCLPYJMWQWWDH-JWTNVVGKSA-N 2 1 332.488 3.541 20 0 EHADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000375773100 1033256376 /nfs/dbraw/zinc/25/63/76/1033256376.db2.gz YZCLPYJMWQWWDH-JWTNVVGKSA-N 2 1 332.488 3.541 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000190946248 1025116183 /nfs/dbraw/zinc/11/61/83/1025116183.db2.gz VZNHNFVUUIQTDF-GFCCVEGCSA-N 2 1 325.378 3.945 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435778104 1025143707 /nfs/dbraw/zinc/14/37/07/1025143707.db2.gz LEKYDYWIQJRARH-IBGZPJMESA-N 2 1 338.499 3.671 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435778104 1025143715 /nfs/dbraw/zinc/14/37/15/1025143715.db2.gz LEKYDYWIQJRARH-IBGZPJMESA-N 2 1 338.499 3.671 20 0 EHADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000897996349 1033266495 /nfs/dbraw/zinc/26/64/95/1033266495.db2.gz ZZYNIASYORDLOF-QUCCMNQESA-N 2 1 345.531 3.710 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](O)[C@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039228 1025223193 /nfs/dbraw/zinc/22/31/93/1025223193.db2.gz CJWLWFSBTWDPCK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](O)[C@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039228 1025223202 /nfs/dbraw/zinc/22/32/02/1025223202.db2.gz CJWLWFSBTWDPCK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039228 1025223211 /nfs/dbraw/zinc/22/32/11/1025223211.db2.gz CJWLWFSBTWDPCK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039228 1025223220 /nfs/dbraw/zinc/22/32/20/1025223220.db2.gz CJWLWFSBTWDPCK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000521337758 1025331896 /nfs/dbraw/zinc/33/18/96/1025331896.db2.gz FYOPPKDIIUINGO-QFIPXVFZSA-N 2 1 338.495 3.536 20 0 EHADMP CCc1ccc(CC[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000436057541 1025337437 /nfs/dbraw/zinc/33/74/37/1025337437.db2.gz YGDDHBRMVGJBNL-LJQANCHMSA-N 2 1 343.540 3.668 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014137 1025366873 /nfs/dbraw/zinc/36/68/73/1025366873.db2.gz KJBLCQIWYZPZSA-ITEKTMBMSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760746 1025457237 /nfs/dbraw/zinc/45/72/37/1025457237.db2.gz AKSFHQUXYJDWHV-IAGOWNOFSA-N 2 1 326.440 3.527 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCOC4CCC4)C3)C2)cc1 ZINC000347071792 1025465616 /nfs/dbraw/zinc/46/56/16/1025465616.db2.gz IOMMHZSZACQYAN-OAQYLSRUSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000347071792 1025465625 /nfs/dbraw/zinc/46/56/25/1025465625.db2.gz IOMMHZSZACQYAN-OAQYLSRUSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCOC4CCC4)C3)C2)cc1 ZINC000347071792 1025465638 /nfs/dbraw/zinc/46/56/38/1025465638.db2.gz IOMMHZSZACQYAN-OAQYLSRUSA-N 2 1 328.500 3.544 20 0 EHADMP CC(C)CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292357 1025468498 /nfs/dbraw/zinc/46/84/98/1025468498.db2.gz ZPNVXKNFQNXDIC-INIZCTEOSA-N 2 1 348.878 3.561 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC1(C)C ZINC000442875713 1025547334 /nfs/dbraw/zinc/54/73/34/1025547334.db2.gz WOSFTWUHJDLDFA-MJGOQNOKSA-N 2 1 349.950 3.592 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880981 1025559481 /nfs/dbraw/zinc/55/94/81/1025559481.db2.gz YNFAONVZWKLLGH-RTBURBONSA-N 2 1 349.950 3.592 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCO1 ZINC001168127605 1025611293 /nfs/dbraw/zinc/61/12/93/1025611293.db2.gz HQDRBINNDFCYKJ-ZBFHGGJFSA-N 2 1 345.874 3.578 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240983 1025674259 /nfs/dbraw/zinc/67/42/59/1025674259.db2.gz VWNZTLLCTKYOKN-HSALFYBXSA-N 2 1 328.500 3.588 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240983 1025674267 /nfs/dbraw/zinc/67/42/67/1025674267.db2.gz VWNZTLLCTKYOKN-HSALFYBXSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530513103 1025988551 /nfs/dbraw/zinc/98/85/51/1025988551.db2.gz DBNNRNZHUJETKL-SFHVURJKSA-N 2 1 341.499 3.919 20 0 EHADMP C[N@H+](Cc1cc(F)c(Br)cc1F)CC1CC[NH+](C)CC1 ZINC001141915483 1026036329 /nfs/dbraw/zinc/03/63/29/1026036329.db2.gz CVCYTJZCFLATPU-UHFFFAOYSA-N 2 1 347.247 3.501 20 0 EHADMP CC(C)n1ccnc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657415269 1026107744 /nfs/dbraw/zinc/10/77/44/1026107744.db2.gz HFEAHZIEYQXJSY-ICSRJNTNSA-N 2 1 340.515 3.854 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000342571125 1026321209 /nfs/dbraw/zinc/32/12/09/1026321209.db2.gz CVQQQYRRGGPDPC-IRXDYDNUSA-N 2 1 337.389 3.907 20 0 EHADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277101 1026347156 /nfs/dbraw/zinc/34/71/56/1026347156.db2.gz PCWIGQKWYDFMNW-STZQEDGTSA-N 2 1 338.495 3.874 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1Cl ZINC000342596882 1026411090 /nfs/dbraw/zinc/41/10/90/1026411090.db2.gz OMOYWTAVNVKTMK-CYBMUJFWSA-N 2 1 325.884 3.516 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000125282409 1026643490 /nfs/dbraw/zinc/64/34/90/1026643490.db2.gz HTRXHWIWGCMBFZ-UHFFFAOYSA-N 2 1 346.434 3.591 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657491988 1026743830 /nfs/dbraw/zinc/74/38/30/1026743830.db2.gz NYHSQGRDSHNFTE-MRXNPFEDSA-N 2 1 343.446 3.835 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc3ccncc3s2)[C@H](c2ccccc2)C1 ZINC000657501611 1026787873 /nfs/dbraw/zinc/78/78/73/1026787873.db2.gz ZSZQIBGOZFWMLP-MJGOQNOKSA-N 2 1 337.492 3.731 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342725686 1026861727 /nfs/dbraw/zinc/86/17/27/1026861727.db2.gz IEVBLNYTYPYNMB-CALCHBBNSA-N 2 1 332.536 3.622 20 0 EHADMP CN(C)c1cc[nH+]c(NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000301742244 1026922765 /nfs/dbraw/zinc/92/27/65/1026922765.db2.gz VIAMZYBHDRHDAL-UHFFFAOYSA-N 2 1 339.487 3.531 20 0 EHADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3cc(Br)ccc23)C1 ZINC000301977100 1027013634 /nfs/dbraw/zinc/01/36/34/1027013634.db2.gz FFNYKKDDMVRIAD-LBPRGKRZSA-N 2 1 334.261 3.751 20 0 EHADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3cc(Br)ccc23)C1 ZINC000301977100 1027013638 /nfs/dbraw/zinc/01/36/38/1027013638.db2.gz FFNYKKDDMVRIAD-LBPRGKRZSA-N 2 1 334.261 3.751 20 0 EHADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OCC ZINC000125776317 1027120361 /nfs/dbraw/zinc/12/03/61/1027120361.db2.gz RKTHSQCKILWUEF-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OCC ZINC000125776317 1027120371 /nfs/dbraw/zinc/12/03/71/1027120371.db2.gz RKTHSQCKILWUEF-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OCC ZINC000125776317 1027120385 /nfs/dbraw/zinc/12/03/85/1027120385.db2.gz RKTHSQCKILWUEF-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000443056820 1027172958 /nfs/dbraw/zinc/17/29/58/1027172958.db2.gz DFDZZZVZEMIOSL-OAHLLOKOSA-N 2 1 344.421 3.925 20 0 EHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000453069352 1027282297 /nfs/dbraw/zinc/28/22/97/1027282297.db2.gz MJFJRDFEAKIWFU-LAUBAEHRSA-N 2 1 339.483 3.543 20 0 EHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000453069352 1027282301 /nfs/dbraw/zinc/28/23/01/1027282301.db2.gz MJFJRDFEAKIWFU-LAUBAEHRSA-N 2 1 339.483 3.543 20 0 EHADMP C[NH+]1CCC([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501453655 1027292495 /nfs/dbraw/zinc/29/24/95/1027292495.db2.gz NQNOVHITPVBOOP-UHFFFAOYSA-N 2 1 330.422 3.781 20 0 EHADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453080155 1027334557 /nfs/dbraw/zinc/33/45/57/1027334557.db2.gz DIAXDUMDTKBBDE-HBMCJLEFSA-N 2 1 330.516 3.836 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453133805 1027438564 /nfs/dbraw/zinc/43/85/64/1027438564.db2.gz RJGKICYVXOMKBX-GVDBMIGSSA-N 2 1 326.406 3.972 20 0 EHADMP Cc1cccc(N2CCC([NH2+]C3CCc4ccccc4CC3)CC2)[nH+]1 ZINC000453136577 1027441981 /nfs/dbraw/zinc/44/19/81/1027441981.db2.gz ZCCMIGNSCJCLDN-UHFFFAOYSA-N 2 1 335.495 3.896 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453138511 1027444233 /nfs/dbraw/zinc/44/42/33/1027444233.db2.gz AGVZICVCVOXKHA-HBMCJLEFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453142364 1027449986 /nfs/dbraw/zinc/44/99/86/1027449986.db2.gz DDERFAOHEUNDHC-MJUUVYJYSA-N 2 1 344.543 3.816 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]12 ZINC000420314161 1027459968 /nfs/dbraw/zinc/45/99/68/1027459968.db2.gz VGAQMNPTHUHNMU-UXIGCNINSA-N 2 1 333.888 3.633 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]12 ZINC000420314161 1027459970 /nfs/dbraw/zinc/45/99/70/1027459970.db2.gz VGAQMNPTHUHNMU-UXIGCNINSA-N 2 1 333.888 3.633 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC[C@@H]1CC[NH2+]C1 ZINC000420312273 1027460754 /nfs/dbraw/zinc/46/07/54/1027460754.db2.gz WPZHCPQXXAKGEG-SFHVURJKSA-N 2 1 341.499 3.986 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319053 1027466165 /nfs/dbraw/zinc/46/61/65/1027466165.db2.gz OUMHDEMKWLLZPE-ZOCZFRKYSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319053 1027466172 /nfs/dbraw/zinc/46/61/72/1027466172.db2.gz OUMHDEMKWLLZPE-ZOCZFRKYSA-N 2 1 347.462 3.761 20 0 EHADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000420318245 1027467146 /nfs/dbraw/zinc/46/71/46/1027467146.db2.gz OEPCVZQWGCLTKM-AWEZNQCLSA-N 2 1 325.294 3.659 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCSCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453160515 1027473049 /nfs/dbraw/zinc/47/30/49/1027473049.db2.gz OZCSQXJQCMVZQW-SLFFLAALSA-N 2 1 330.541 3.915 20 0 EHADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000420361983 1027486976 /nfs/dbraw/zinc/48/69/76/1027486976.db2.gz AAKBHXITNWIXBW-GDBMZVCRSA-N 2 1 326.406 3.884 20 0 EHADMP Cc1ccncc1CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000657588684 1027523963 /nfs/dbraw/zinc/52/39/63/1027523963.db2.gz UUIFADGTUNKXLB-UHFFFAOYSA-N 2 1 325.500 3.680 20 0 EHADMP CC(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657594930 1027566120 /nfs/dbraw/zinc/56/61/20/1027566120.db2.gz LFBWTBHPULMOBL-QFIPXVFZSA-N 2 1 338.495 3.666 20 0 EHADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501847680 1027584307 /nfs/dbraw/zinc/58/43/07/1027584307.db2.gz AZMQAWASNBYUEK-NRFANRHFSA-N 2 1 349.538 3.871 20 0 EHADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000350216019 1027673845 /nfs/dbraw/zinc/67/38/45/1027673845.db2.gz FVHXWSKPAJUDHJ-UHFFFAOYSA-N 2 1 346.906 3.535 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)o1 ZINC000564408324 1027716058 /nfs/dbraw/zinc/71/60/58/1027716058.db2.gz NMCQAJKRIQDCDX-QAPCUYQASA-N 2 1 347.528 3.597 20 0 EHADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000414658446 1027730910 /nfs/dbraw/zinc/73/09/10/1027730910.db2.gz JKMVWNVSRFXIMY-UHFFFAOYSA-N 2 1 342.483 3.788 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@H]1C[NH3+] ZINC000422559943 1027789484 /nfs/dbraw/zinc/78/94/84/1027789484.db2.gz FGZLGTABISDPPM-ZRGWGRIASA-N 2 1 327.447 3.693 20 0 EHADMP C[N@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000628163853 1027818898 /nfs/dbraw/zinc/81/88/98/1027818898.db2.gz VLZRYWGMTOXMRA-UHFFFAOYSA-N 2 1 334.467 3.659 20 0 EHADMP C[N@@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000628163853 1027818915 /nfs/dbraw/zinc/81/89/15/1027818915.db2.gz VLZRYWGMTOXMRA-UHFFFAOYSA-N 2 1 334.467 3.659 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000414676013 1027820943 /nfs/dbraw/zinc/82/09/43/1027820943.db2.gz MRRRFIUEAYVIJL-UKRRQHHQSA-N 2 1 342.430 3.507 20 0 EHADMP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422710005 1027867394 /nfs/dbraw/zinc/86/73/94/1027867394.db2.gz LKIWPFLLLMQFPC-GHTZIAJQSA-N 2 1 329.532 3.540 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000422732438 1027878740 /nfs/dbraw/zinc/87/87/40/1027878740.db2.gz PWBLXEXKTYHDMF-CVEARBPZSA-N 2 1 340.515 3.629 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422725128 1027890531 /nfs/dbraw/zinc/89/05/31/1027890531.db2.gz XNHHWYVDUNHWMF-GRDNDAEWSA-N 2 1 345.453 3.804 20 0 EHADMP Fc1cccc(Oc2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)c1 ZINC000339065919 1027892133 /nfs/dbraw/zinc/89/21/33/1027892133.db2.gz DUBSWLKNRRECCW-ROUUACIJSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)c1 ZINC000339065919 1027892163 /nfs/dbraw/zinc/89/21/63/1027892163.db2.gz DUBSWLKNRRECCW-ROUUACIJSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)c1 ZINC000339065919 1027892188 /nfs/dbraw/zinc/89/21/88/1027892188.db2.gz DUBSWLKNRRECCW-ROUUACIJSA-N 2 1 341.430 3.729 20 0 EHADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913861 1027899379 /nfs/dbraw/zinc/89/93/79/1027899379.db2.gz BLCRGBTWQFDADJ-VQTJNVASSA-N 2 1 348.556 3.673 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000422742365 1027911781 /nfs/dbraw/zinc/91/17/81/1027911781.db2.gz GCSWWPOZUKINLN-FGTMMUONSA-N 2 1 335.561 3.628 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655762212 1027931848 /nfs/dbraw/zinc/93/18/48/1027931848.db2.gz CQKCWSFBLZXGKE-RDJZCZTQSA-N 2 1 334.529 3.703 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420983232 1027940372 /nfs/dbraw/zinc/94/03/72/1027940372.db2.gz QFZTTXMWTSZQPE-KRWDZBQOSA-N 2 1 349.950 3.893 20 0 EHADMP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422789207 1027941577 /nfs/dbraw/zinc/94/15/77/1027941577.db2.gz BJULUFFGOPCPRB-SOUVJXGZSA-N 2 1 328.378 3.596 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)s2)cs1 ZINC000422798539 1027952344 /nfs/dbraw/zinc/95/23/44/1027952344.db2.gz RPZYSHSBVFOIFJ-WFASDCNBSA-N 2 1 335.542 3.843 20 0 EHADMP c1ccc(C[NH+]2CCCCC2)c(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422792205 1027963268 /nfs/dbraw/zinc/96/32/68/1027963268.db2.gz QYDCBZFYCMKTSI-FDFHNCONSA-N 2 1 341.543 3.683 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1OC ZINC000502241526 1027992621 /nfs/dbraw/zinc/99/26/21/1027992621.db2.gz MMWWQXDSRQTZEA-SJLPKXTDSA-N 2 1 346.515 3.550 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1OC ZINC000502241526 1027992634 /nfs/dbraw/zinc/99/26/34/1027992634.db2.gz MMWWQXDSRQTZEA-SJLPKXTDSA-N 2 1 346.515 3.550 20 0 EHADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000093337010 1027994208 /nfs/dbraw/zinc/99/42/08/1027994208.db2.gz OYHWDHMFEZFAHN-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000093337010 1027994222 /nfs/dbraw/zinc/99/42/22/1027994222.db2.gz OYHWDHMFEZFAHN-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000093337010 1027994229 /nfs/dbraw/zinc/99/42/29/1027994229.db2.gz OYHWDHMFEZFAHN-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000093337010 1027994235 /nfs/dbraw/zinc/99/42/35/1027994235.db2.gz OYHWDHMFEZFAHN-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422858492 1027996028 /nfs/dbraw/zinc/99/60/28/1027996028.db2.gz IUHZUEDZMWJONH-YPAWHYETSA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422858492 1027996047 /nfs/dbraw/zinc/99/60/47/1027996047.db2.gz IUHZUEDZMWJONH-YPAWHYETSA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422858492 1027996064 /nfs/dbraw/zinc/99/60/64/1027996064.db2.gz IUHZUEDZMWJONH-YPAWHYETSA-N 2 1 343.559 3.927 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000422890792 1028026042 /nfs/dbraw/zinc/02/60/42/1028026042.db2.gz SXUUGGXNZAOCIC-PMACEKPBSA-N 2 1 332.451 3.724 20 0 EHADMP [NH3+][C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000422966126 1028079623 /nfs/dbraw/zinc/07/96/23/1028079623.db2.gz QRFWMIUWUVTRGJ-GUDVDZBRSA-N 2 1 325.456 3.541 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422949981 1028087695 /nfs/dbraw/zinc/08/76/95/1028087695.db2.gz WWNUJOHJOGBTFR-KGLIPLIRSA-N 2 1 331.485 3.582 20 0 EHADMP COc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccccc2OC)cc1 ZINC000423000709 1028116888 /nfs/dbraw/zinc/11/68/88/1028116888.db2.gz HEYWGJDCRRQCPM-SIFCLUCFSA-N 2 1 328.456 3.509 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000423019248 1028127398 /nfs/dbraw/zinc/12/73/98/1028127398.db2.gz UVHLRJWLYAZIIA-AKHDSKFASA-N 2 1 328.843 3.904 20 0 EHADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000120773180 1028141580 /nfs/dbraw/zinc/14/15/80/1028141580.db2.gz MLNPCPSTGKDYIS-WAIKUNEKSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000120773180 1028141586 /nfs/dbraw/zinc/14/15/86/1028141586.db2.gz MLNPCPSTGKDYIS-WAIKUNEKSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000120773180 1028141598 /nfs/dbraw/zinc/14/15/98/1028141598.db2.gz MLNPCPSTGKDYIS-WAIKUNEKSA-N 2 1 336.545 3.729 20 0 EHADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423076176 1028164276 /nfs/dbraw/zinc/16/42/76/1028164276.db2.gz YILNZWITKIKUNS-BHYGNILZSA-N 2 1 328.456 3.842 20 0 EHADMP FC(F)(F)C[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000444700453 1028177158 /nfs/dbraw/zinc/17/71/58/1028177158.db2.gz FWVIFJJJXAOZDJ-CHWSQXEVSA-N 2 1 346.359 3.925 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423093681 1028179755 /nfs/dbraw/zinc/17/97/55/1028179755.db2.gz IKJXRWPOYUSJCE-SDPXSBNPSA-N 2 1 341.268 3.564 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]1 ZINC000414715741 1028180584 /nfs/dbraw/zinc/18/05/84/1028180584.db2.gz ZGTULUIVKRESQU-AGIUHOORSA-N 2 1 347.450 3.729 20 0 EHADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423122977 1028190529 /nfs/dbraw/zinc/19/05/29/1028190529.db2.gz KMLRRZMKIFAVGK-HFBAOOFYSA-N 2 1 348.359 3.994 20 0 EHADMP CC[N@@H+](Cc1cc(C)c(Br)s1)[C@@H]1CCC[NH2+]CC1 ZINC000414718285 1028199468 /nfs/dbraw/zinc/19/94/68/1028199468.db2.gz REVOCKGESADPBJ-GFCCVEGCSA-N 2 1 331.323 3.783 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000423182814 1028230017 /nfs/dbraw/zinc/23/00/17/1028230017.db2.gz FPCKOGAHBSZFEU-CQSZACIVSA-N 2 1 335.398 3.514 20 0 EHADMP Cc1nc(C(C)C)sc1[C@@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423185124 1028230496 /nfs/dbraw/zinc/23/04/96/1028230496.db2.gz JEOCSPZMYVRACN-CQSZACIVSA-N 2 1 332.517 3.800 20 0 EHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423185124 1028230513 /nfs/dbraw/zinc/23/05/13/1028230513.db2.gz JEOCSPZMYVRACN-CQSZACIVSA-N 2 1 332.517 3.800 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)ccc1OC(F)F ZINC000423174602 1028242984 /nfs/dbraw/zinc/24/29/84/1028242984.db2.gz BHTNBMDGKTVJHR-GFCCVEGCSA-N 2 1 328.403 3.609 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423219509 1028284026 /nfs/dbraw/zinc/28/40/26/1028284026.db2.gz TZZWISSTWVGZAQ-YESZJQIVSA-N 2 1 325.456 3.913 20 0 EHADMP COc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1F ZINC000192674477 1028323171 /nfs/dbraw/zinc/32/31/71/1028323171.db2.gz ZKBOOGIYSLOKLX-UHFFFAOYSA-N 2 1 330.447 3.964 20 0 EHADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000421380902 1028352923 /nfs/dbraw/zinc/35/29/23/1028352923.db2.gz WLIQOIYTBXYZGP-WOJBJXKFSA-N 2 1 335.580 3.695 20 0 EHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H](C)[NH3+] ZINC000423324060 1028361915 /nfs/dbraw/zinc/36/19/15/1028361915.db2.gz HVHRUTLTLWHPMC-GJYPPUQNSA-N 2 1 331.504 3.619 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000423363606 1028388726 /nfs/dbraw/zinc/38/87/26/1028388726.db2.gz AQMJCZYNUXXTAS-SCDSUCTJSA-N 2 1 341.318 3.716 20 0 EHADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCSCC1 ZINC000423368473 1028393953 /nfs/dbraw/zinc/39/39/53/1028393953.db2.gz NGCKQVWJYWUDSZ-PNPHSEOMSA-N 2 1 340.483 3.532 20 0 EHADMP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc2cc(OC)ccc2c1 ZINC000423435122 1028444112 /nfs/dbraw/zinc/44/41/12/1028444112.db2.gz SERJSATVHHKOIG-NHCUHLMSSA-N 2 1 342.483 3.658 20 0 EHADMP Cc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCC2)cc1 ZINC000423505227 1028470487 /nfs/dbraw/zinc/47/04/87/1028470487.db2.gz GSAUYUIIDIZQPN-HRTMPFAESA-N 2 1 341.543 3.642 20 0 EHADMP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423488867 1028476844 /nfs/dbraw/zinc/47/68/44/1028476844.db2.gz FEIJHMHWCCWYOZ-SJORKVTESA-N 2 1 344.421 3.761 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1OC ZINC000246414775 1028479366 /nfs/dbraw/zinc/47/93/66/1028479366.db2.gz MSDSFSNGUXRXRC-SLFFLAALSA-N 2 1 346.515 3.504 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423494830 1028480267 /nfs/dbraw/zinc/48/02/67/1028480267.db2.gz BBWQQZREWAKRBY-ZBEGNZNMSA-N 2 1 343.284 3.626 20 0 EHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423533672 1028488350 /nfs/dbraw/zinc/48/83/50/1028488350.db2.gz UEQDYSFQAHUQOY-WBMJQRKESA-N 2 1 330.394 3.796 20 0 EHADMP Cc1ccc2cc([C@@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc2c1 ZINC000423517331 1028493243 /nfs/dbraw/zinc/49/32/43/1028493243.db2.gz XYVZGPKJUREGQA-IPJUCJBFSA-N 2 1 341.499 3.608 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646543 1028494449 /nfs/dbraw/zinc/49/44/49/1028494449.db2.gz DJMOTXZCKCWMPH-FGZHOGPDSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646543 1028494452 /nfs/dbraw/zinc/49/44/52/1028494452.db2.gz DJMOTXZCKCWMPH-FGZHOGPDSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646543 1028494465 /nfs/dbraw/zinc/49/44/65/1028494465.db2.gz DJMOTXZCKCWMPH-FGZHOGPDSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646543 1028494470 /nfs/dbraw/zinc/49/44/70/1028494470.db2.gz DJMOTXZCKCWMPH-FGZHOGPDSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646543 1028494479 /nfs/dbraw/zinc/49/44/79/1028494479.db2.gz DJMOTXZCKCWMPH-FGZHOGPDSA-N 2 1 341.543 3.589 20 0 EHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1C(C)(C)C ZINC000423525102 1028498017 /nfs/dbraw/zinc/49/80/17/1028498017.db2.gz XWEMTOFKDIJXBU-VIQWUECVSA-N 2 1 343.559 3.851 20 0 EHADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139519 1028582711 /nfs/dbraw/zinc/58/27/11/1028582711.db2.gz ZLRFXZZTUYXIRD-ZWKOTPCHSA-N 2 1 341.524 3.941 20 0 EHADMP COc1cccc2c(N3CC[C@H](C4CC[NH+](C)CC4)C3)cc(C)[nH+]c12 ZINC000535918055 1028665351 /nfs/dbraw/zinc/66/53/51/1028665351.db2.gz JVCHRYLFQCKUTE-KRWDZBQOSA-N 2 1 339.483 3.720 20 0 EHADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC001168266024 1028689038 /nfs/dbraw/zinc/68/90/38/1028689038.db2.gz ZZWVVGCKTMRHKU-CEWLAPEOSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168266024 1028689049 /nfs/dbraw/zinc/68/90/49/1028689049.db2.gz ZZWVVGCKTMRHKU-CEWLAPEOSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168266024 1028689053 /nfs/dbraw/zinc/68/90/53/1028689053.db2.gz ZZWVVGCKTMRHKU-CEWLAPEOSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168266024 1028689060 /nfs/dbraw/zinc/68/90/60/1028689060.db2.gz ZZWVVGCKTMRHKU-CEWLAPEOSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168266024 1028689065 /nfs/dbraw/zinc/68/90/65/1028689065.db2.gz ZZWVVGCKTMRHKU-CEWLAPEOSA-N 2 1 328.500 3.713 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)[C@@H](C)C1 ZINC000247011143 1028725706 /nfs/dbraw/zinc/72/57/06/1028725706.db2.gz LFHNRVHWDLZCFJ-WDSOQIARSA-N 2 1 348.556 3.950 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000247087902 1028742909 /nfs/dbraw/zinc/74/29/09/1028742909.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247087902 1028742926 /nfs/dbraw/zinc/74/29/26/1028742926.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247087902 1028742942 /nfs/dbraw/zinc/74/29/42/1028742942.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000247087902 1028742956 /nfs/dbraw/zinc/74/29/56/1028742956.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CCN1C ZINC000247087902 1028742974 /nfs/dbraw/zinc/74/29/74/1028742974.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000247087902 1028742989 /nfs/dbraw/zinc/74/29/89/1028742989.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000247087902 1028743003 /nfs/dbraw/zinc/74/30/03/1028743003.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247087902 1028743020 /nfs/dbraw/zinc/74/30/20/1028743020.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247087902 1028743029 /nfs/dbraw/zinc/74/30/29/1028743029.db2.gz PEYFKVWKSJNZAF-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)CCO1 ZINC000247087236 1028743621 /nfs/dbraw/zinc/74/36/21/1028743621.db2.gz PDNNLUWVRVRVJB-VGSWGCGISA-N 2 1 336.479 3.684 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)CCO1 ZINC000247087236 1028743634 /nfs/dbraw/zinc/74/36/34/1028743634.db2.gz PDNNLUWVRVRVJB-VGSWGCGISA-N 2 1 336.479 3.684 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000247146698 1028751821 /nfs/dbraw/zinc/75/18/21/1028751821.db2.gz SPVBVVACDJLWIO-VNHYZAJKSA-N 2 1 342.430 3.505 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000247146698 1028751843 /nfs/dbraw/zinc/75/18/43/1028751843.db2.gz SPVBVVACDJLWIO-VNHYZAJKSA-N 2 1 342.430 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cc1 ZINC000247242921 1028762020 /nfs/dbraw/zinc/76/20/20/1028762020.db2.gz ZCCLQAPLSFEVLR-IAGOWNOFSA-N 2 1 326.488 3.563 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c(F)c1 ZINC000421819480 1028804469 /nfs/dbraw/zinc/80/44/69/1028804469.db2.gz HIXPTGIBXUALEN-HXUWFJFHSA-N 2 1 332.463 3.749 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000421823245 1028808382 /nfs/dbraw/zinc/80/83/82/1028808382.db2.gz CMIYEGRHHMFNBA-SJORKVTESA-N 2 1 336.545 3.897 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000421823245 1028808400 /nfs/dbraw/zinc/80/84/00/1028808400.db2.gz CMIYEGRHHMFNBA-SJORKVTESA-N 2 1 336.545 3.897 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccncc3Cl)CC2)[nH+]1 ZINC000421835638 1028827174 /nfs/dbraw/zinc/82/71/74/1028827174.db2.gz QDQVYSDRHOJXLE-CQSZACIVSA-N 2 1 330.863 3.758 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857572 1028848240 /nfs/dbraw/zinc/84/82/40/1028848240.db2.gz QBAPEPCULMQLLR-NVXWUHKLSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857572 1028848257 /nfs/dbraw/zinc/84/82/57/1028848257.db2.gz QBAPEPCULMQLLR-NVXWUHKLSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1Cl ZINC000248453592 1028909561 /nfs/dbraw/zinc/90/95/61/1028909561.db2.gz QQCJFTWQBVNYPA-MAUKXSAKSA-N 2 1 344.886 3.757 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[C@H](C4CC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000897500354 1028921220 /nfs/dbraw/zinc/92/12/20/1028921220.db2.gz FYXHLIUDESZNIG-PSWRPDDJSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[C@H](C4CC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000897500354 1028921230 /nfs/dbraw/zinc/92/12/30/1028921230.db2.gz FYXHLIUDESZNIG-PSWRPDDJSA-N 2 1 340.511 3.902 20 0 EHADMP c1csc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424269405 1028927039 /nfs/dbraw/zinc/92/70/39/1028927039.db2.gz PGKQCNPQSCRGND-FUHWJXTLSA-N 2 1 327.497 3.501 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424270557 1028941890 /nfs/dbraw/zinc/94/18/90/1028941890.db2.gz QQQTUYHJJIAYSI-QGZVFWFLSA-N 2 1 326.469 3.612 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245637054 1028953178 /nfs/dbraw/zinc/95/31/78/1028953178.db2.gz AAEBSVMFULMGRK-MVJPYGJCSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245637054 1028953193 /nfs/dbraw/zinc/95/31/93/1028953193.db2.gz AAEBSVMFULMGRK-MVJPYGJCSA-N 2 1 338.499 3.575 20 0 EHADMP CS[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1[NH+]1CCCC1 ZINC000445607306 1028970343 /nfs/dbraw/zinc/97/03/43/1028970343.db2.gz GEVSNECFYDLRMD-MSOLQXFVSA-N 2 1 347.915 3.904 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414782335 1028974076 /nfs/dbraw/zinc/97/40/76/1028974076.db2.gz OLBTVXYMIZGGOD-HOTGVXAUSA-N 2 1 344.890 3.552 20 0 EHADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000245689377 1029010361 /nfs/dbraw/zinc/01/03/61/1029010361.db2.gz KBWJOKMVOUEWCU-HAGHYFMRSA-N 2 1 342.508 3.567 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000249301797 1029012954 /nfs/dbraw/zinc/01/29/54/1029012954.db2.gz SHTIRJZUTRTSNK-RBBKRZOGSA-N 2 1 343.559 3.528 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)s2)o1 ZINC000424378850 1029036196 /nfs/dbraw/zinc/03/61/96/1029036196.db2.gz OAVBBVXGDKSQTA-CYBMUJFWSA-N 2 1 331.485 3.676 20 0 EHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000424381070 1029037583 /nfs/dbraw/zinc/03/75/83/1029037583.db2.gz YEFZHRAQCOLFPJ-MGPQQGTHSA-N 2 1 341.318 3.846 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424380106 1029037607 /nfs/dbraw/zinc/03/76/07/1029037607.db2.gz PIFOBMXRBOPCMF-KRWDZBQOSA-N 2 1 346.515 3.838 20 0 EHADMP CC(C)[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC1CC1 ZINC000536639971 1029056924 /nfs/dbraw/zinc/05/69/24/1029056924.db2.gz ANJNXYNIRZDXQI-UHFFFAOYSA-N 2 1 329.532 3.837 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000271767453 1029160675 /nfs/dbraw/zinc/16/06/75/1029160675.db2.gz UFNIYNMXXPXNKC-HXUWFJFHSA-N 2 1 328.500 3.681 20 0 EHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000271885101 1029214404 /nfs/dbraw/zinc/21/44/04/1029214404.db2.gz QJCLVOPLFASCPR-ZDUSSCGKSA-N 2 1 328.378 3.540 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743517 1029225940 /nfs/dbraw/zinc/22/59/40/1029225940.db2.gz SAXCSTNEKRGNMT-LMYCIYFBSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245743517 1029225956 /nfs/dbraw/zinc/22/59/56/1029225956.db2.gz SAXCSTNEKRGNMT-LMYCIYFBSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743517 1029225971 /nfs/dbraw/zinc/22/59/71/1029225971.db2.gz SAXCSTNEKRGNMT-LMYCIYFBSA-N 3 1 341.543 3.644 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414809889 1029265694 /nfs/dbraw/zinc/26/56/94/1029265694.db2.gz HGCLDZDWQBMKKW-DGCLKSJQSA-N 2 1 331.273 3.626 20 0 EHADMP C[C@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)CC[N@H+]1C ZINC000162711514 1029310306 /nfs/dbraw/zinc/31/03/06/1029310306.db2.gz UJLMJZULWXJLST-WMLDXEAASA-N 2 1 329.419 3.585 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCN1C ZINC000162711514 1029310317 /nfs/dbraw/zinc/31/03/17/1029310317.db2.gz UJLMJZULWXJLST-WMLDXEAASA-N 2 1 329.419 3.585 20 0 EHADMP COc1ccsc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272139501 1029328421 /nfs/dbraw/zinc/32/84/21/1029328421.db2.gz AZOLMPYKHIAEFE-NVXWUHKLSA-N 2 1 330.497 3.757 20 0 EHADMP COc1ccsc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272139501 1029328440 /nfs/dbraw/zinc/32/84/40/1029328440.db2.gz AZOLMPYKHIAEFE-NVXWUHKLSA-N 2 1 330.497 3.757 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccs3)CC2)oc1C ZINC000162736400 1029357388 /nfs/dbraw/zinc/35/73/88/1029357388.db2.gz KAEQYYSWIZDNAC-AWEZNQCLSA-N 2 1 333.501 3.916 20 0 EHADMP CC(C)[N@H+]1CCCN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000505265228 1029422313 /nfs/dbraw/zinc/42/23/13/1029422313.db2.gz ISWFTUGETGGKES-UHFFFAOYSA-N 2 1 331.548 3.561 20 0 EHADMP CC(C)[NH+]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000505265228 1029422322 /nfs/dbraw/zinc/42/23/22/1029422322.db2.gz ISWFTUGETGGKES-UHFFFAOYSA-N 2 1 331.548 3.561 20 0 EHADMP CC(C)[NH+]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000505265228 1029422337 /nfs/dbraw/zinc/42/23/37/1029422337.db2.gz ISWFTUGETGGKES-UHFFFAOYSA-N 2 1 331.548 3.561 20 0 EHADMP [NH3+][C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000414827992 1029457264 /nfs/dbraw/zinc/45/72/64/1029457264.db2.gz ICRHINVJWYFRKL-HXUWFJFHSA-N 2 1 343.902 3.594 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272441572 1029459981 /nfs/dbraw/zinc/45/99/81/1029459981.db2.gz TWJZOYSRYWLIMG-WKCHPHFGSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272441572 1029459989 /nfs/dbraw/zinc/45/99/89/1029459989.db2.gz TWJZOYSRYWLIMG-WKCHPHFGSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272441572 1029459997 /nfs/dbraw/zinc/45/99/97/1029459997.db2.gz TWJZOYSRYWLIMG-WKCHPHFGSA-N 2 1 329.532 3.502 20 0 EHADMP c1[nH+]c(C2CC[NH+](Cc3cccc4c3NCC4)CC2)n2c1CCCC2 ZINC000261634537 1029464143 /nfs/dbraw/zinc/46/41/43/1029464143.db2.gz CTUROFRGQXLIGT-UHFFFAOYSA-N 2 1 336.483 3.567 20 0 EHADMP CCCCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657753141 1029662205 /nfs/dbraw/zinc/66/22/05/1029662205.db2.gz ZCDJPIUOGOLZCF-HXUWFJFHSA-N 2 1 346.515 3.599 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)c1 ZINC000278218388 1029704988 /nfs/dbraw/zinc/70/49/88/1029704988.db2.gz IOIRJZIDXWNCSV-HNNXBMFYSA-N 2 1 344.455 3.759 20 0 EHADMP CC[N@@H+](Cc1ccoc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092935896 1029763945 /nfs/dbraw/zinc/76/39/45/1029763945.db2.gz MVQNHBJRWIOGMY-UHFFFAOYSA-N 2 1 341.499 3.832 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000459391046 1029786036 /nfs/dbraw/zinc/78/60/36/1029786036.db2.gz UMPRVUNXYNHQDJ-NRFANRHFSA-N 2 1 335.451 3.510 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261837965 1029839733 /nfs/dbraw/zinc/83/97/33/1029839733.db2.gz YKDFPICBYDINBO-OAHLLOKOSA-N 2 1 344.833 3.905 20 0 EHADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)on1 ZINC000453219602 1029931801 /nfs/dbraw/zinc/93/18/01/1029931801.db2.gz WHDNWJAFXDNZTI-NJYVYQBISA-N 2 1 339.483 3.558 20 0 EHADMP CC(C)[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708246 1030006292 /nfs/dbraw/zinc/00/62/92/1030006292.db2.gz WFLPFTKKXMKFGS-JSXRDJHFSA-N 2 1 330.516 3.645 20 0 EHADMP CCCCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708436 1030027875 /nfs/dbraw/zinc/02/78/75/1030027875.db2.gz ZNAUNSLJAMQGJE-IRFCIJBXSA-N 2 1 346.515 3.584 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000650711143 1030057079 /nfs/dbraw/zinc/05/70/79/1030057079.db2.gz JSLOTMRYUDOYEF-GUYCJALGSA-N 2 1 333.476 3.899 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000650711143 1030057096 /nfs/dbraw/zinc/05/70/96/1030057096.db2.gz JSLOTMRYUDOYEF-GUYCJALGSA-N 2 1 333.476 3.899 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(F)F ZINC000453332509 1030067994 /nfs/dbraw/zinc/06/79/94/1030067994.db2.gz AVVKSWAXFFQPIT-JZIBPQBNSA-N 2 1 340.414 3.572 20 0 EHADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453321173 1030100284 /nfs/dbraw/zinc/10/02/84/1030100284.db2.gz NWGVFPLCUMYRPH-MDNKFWRPSA-N 2 1 330.516 3.569 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000090407989 1030113459 /nfs/dbraw/zinc/11/34/59/1030113459.db2.gz HCVLLGSQKHYQIJ-MAUKXSAKSA-N 2 1 329.513 3.667 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000090407989 1030113470 /nfs/dbraw/zinc/11/34/70/1030113470.db2.gz HCVLLGSQKHYQIJ-MAUKXSAKSA-N 2 1 329.513 3.667 20 0 EHADMP CCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000453361477 1030137709 /nfs/dbraw/zinc/13/77/09/1030137709.db2.gz KCRLFIKNLBQPIA-NJDAHSKKSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453351025 1030142963 /nfs/dbraw/zinc/14/29/63/1030142963.db2.gz GXAUBULQGKVIJF-UGKGYDQZSA-N 2 1 342.527 3.585 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964031 1030150389 /nfs/dbraw/zinc/15/03/89/1030150389.db2.gz MIAMXQJQKGQIII-GPMSIDNRSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964031 1030150397 /nfs/dbraw/zinc/15/03/97/1030150397.db2.gz MIAMXQJQKGQIII-GPMSIDNRSA-N 2 1 331.504 3.611 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)cc1 ZINC000090654630 1030154913 /nfs/dbraw/zinc/15/49/13/1030154913.db2.gz QYLBZYIHKJBJCL-PNLZDCPESA-N 2 1 349.478 3.823 20 0 EHADMP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000453389509 1030170951 /nfs/dbraw/zinc/17/09/51/1030170951.db2.gz RKEGTTVTGRSYBO-WKCHPHFGSA-N 2 1 342.527 3.978 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550794499 1030175139 /nfs/dbraw/zinc/17/51/39/1030175139.db2.gz HVFYQZGECYBTBM-HBMCJLEFSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550794499 1030175151 /nfs/dbraw/zinc/17/51/51/1030175151.db2.gz HVFYQZGECYBTBM-HBMCJLEFSA-N 2 1 330.516 3.743 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722746 1030195530 /nfs/dbraw/zinc/19/55/30/1030195530.db2.gz ALXGDEJBUDRWEH-BHIYHBOVSA-N 2 1 336.907 3.818 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCCCOc2ccccc2)C1 ZINC000650723245 1030201838 /nfs/dbraw/zinc/20/18/38/1030201838.db2.gz KFHVFKRUXJHUSV-NRSPTQNISA-N 2 1 346.515 3.597 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc(C3CCCC3)s2)C1 ZINC000650723977 1030217360 /nfs/dbraw/zinc/21/73/60/1030217360.db2.gz WKZGROXHIURDNA-NJAFHUGGSA-N 2 1 349.544 3.662 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000128621200 1030225325 /nfs/dbraw/zinc/22/53/25/1030225325.db2.gz GHVNEPZQEGTSBJ-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000531993934 1030241194 /nfs/dbraw/zinc/24/11/94/1030241194.db2.gz QAPNIHWCSMOYQP-YYWHXJBOSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000531993934 1030241207 /nfs/dbraw/zinc/24/12/07/1030241207.db2.gz QAPNIHWCSMOYQP-YYWHXJBOSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)c1noc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121604991 1030305728 /nfs/dbraw/zinc/30/57/28/1030305728.db2.gz GHVICHGNRYUGCJ-INIZCTEOSA-N 2 1 334.508 3.842 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091868293 1030324039 /nfs/dbraw/zinc/32/40/39/1030324039.db2.gz ICUCONAPFCRGPW-UHFFFAOYSA-N 2 1 345.462 3.792 20 0 EHADMP COC1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447587160 1030323817 /nfs/dbraw/zinc/32/38/17/1030323817.db2.gz PCOVVEIMRNDWJD-KGCWZRSHSA-N 2 1 342.527 3.977 20 0 EHADMP Cc1cc(Br)c(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453600146 1030391254 /nfs/dbraw/zinc/39/12/54/1030391254.db2.gz RNLUIRFEIVTSLL-UHFFFAOYSA-N 2 1 331.323 3.783 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447733928 1030459386 /nfs/dbraw/zinc/45/93/86/1030459386.db2.gz RGRXVCXBNANCJC-UHFFFAOYSA-N 2 1 335.439 3.716 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000482556629 1030530017 /nfs/dbraw/zinc/53/00/17/1030530017.db2.gz PLLDQHZFTMGABJ-LEWJYISDSA-N 2 1 335.580 3.743 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660069 1030646963 /nfs/dbraw/zinc/64/69/63/1030646963.db2.gz FODPKLKAZZBPTK-SFHVURJKSA-N 2 1 330.451 3.522 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660069 1030646968 /nfs/dbraw/zinc/64/69/68/1030646968.db2.gz FODPKLKAZZBPTK-SFHVURJKSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660069 1030646976 /nfs/dbraw/zinc/64/69/76/1030646976.db2.gz FODPKLKAZZBPTK-SFHVURJKSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660069 1030646985 /nfs/dbraw/zinc/64/69/85/1030646985.db2.gz FODPKLKAZZBPTK-SFHVURJKSA-N 2 1 330.451 3.522 20 0 EHADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000527115935 1030661865 /nfs/dbraw/zinc/66/18/65/1030661865.db2.gz IBTOAXGZKYSDPU-PZJWPPBQSA-N 2 1 349.607 3.941 20 0 EHADMP C[C@H]1CCC[C@@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115935 1030661875 /nfs/dbraw/zinc/66/18/75/1030661875.db2.gz IBTOAXGZKYSDPU-PZJWPPBQSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115935 1030661884 /nfs/dbraw/zinc/66/18/84/1030661884.db2.gz IBTOAXGZKYSDPU-PZJWPPBQSA-N 3 1 349.607 3.941 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000482959358 1030850616 /nfs/dbraw/zinc/85/06/16/1030850616.db2.gz LDWGHBIZTCOFBA-UHFFFAOYSA-N 2 1 343.284 3.894 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000482959358 1030850639 /nfs/dbraw/zinc/85/06/39/1030850639.db2.gz LDWGHBIZTCOFBA-UHFFFAOYSA-N 2 1 343.284 3.894 20 0 EHADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1cccc(Br)c1 ZINC000568169279 1030920387 /nfs/dbraw/zinc/92/03/87/1030920387.db2.gz GJEVAXHXZGYDJM-UHFFFAOYSA-N 2 1 336.277 3.637 20 0 EHADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1cccc(Br)c1 ZINC000568169279 1030920401 /nfs/dbraw/zinc/92/04/01/1030920401.db2.gz GJEVAXHXZGYDJM-UHFFFAOYSA-N 2 1 336.277 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CNCc2ccsc2Br)C1 ZINC000527653420 1031083332 /nfs/dbraw/zinc/08/33/32/1031083332.db2.gz KEBXSKKOPJBPOK-GFCCVEGCSA-N 2 1 331.323 3.721 20 0 EHADMP CCOC(=O)CCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476997746 1031155264 /nfs/dbraw/zinc/15/52/64/1031155264.db2.gz ROUZTUAZFCYHOH-GOSISDBHSA-N 2 1 338.536 3.696 20 0 EHADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551259739 1031167040 /nfs/dbraw/zinc/16/70/40/1031167040.db2.gz QIFSRACJYAQRQC-WIYYLYMNSA-N 2 1 342.527 3.693 20 0 EHADMP FC(F)(F)COc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527807021 1031284040 /nfs/dbraw/zinc/28/40/40/1031284040.db2.gz LGDCTXPSCQDYSX-MRXNPFEDSA-N 2 1 342.405 3.734 20 0 EHADMP FC(F)(F)COc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527807021 1031284055 /nfs/dbraw/zinc/28/40/55/1031284055.db2.gz LGDCTXPSCQDYSX-MRXNPFEDSA-N 2 1 342.405 3.734 20 0 EHADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289314 1031321551 /nfs/dbraw/zinc/32/15/51/1031321551.db2.gz JFXGCBKPMHVVKD-MRXNPFEDSA-N 2 1 349.519 3.610 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278552746 1031340627 /nfs/dbraw/zinc/34/06/27/1031340627.db2.gz VXRRXUXQHAXEDL-MRXNPFEDSA-N 3 1 338.499 3.706 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570819 1031436647 /nfs/dbraw/zinc/43/66/47/1031436647.db2.gz PMMHXLUZPUNBOR-IEBWSBKVSA-N 2 1 344.499 3.523 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570819 1031436662 /nfs/dbraw/zinc/43/66/62/1031436662.db2.gz PMMHXLUZPUNBOR-IEBWSBKVSA-N 2 1 344.499 3.523 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)s2)cc1 ZINC000666997092 1031456611 /nfs/dbraw/zinc/45/66/11/1031456611.db2.gz WPABDUXXYKRTNP-INIZCTEOSA-N 2 1 327.497 3.883 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960658 1031524290 /nfs/dbraw/zinc/52/42/90/1031524290.db2.gz CWLWKHDRRIIUJG-DYESRHJHSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960658 1031524305 /nfs/dbraw/zinc/52/43/05/1031524305.db2.gz CWLWKHDRRIIUJG-DYESRHJHSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278615776 1031645114 /nfs/dbraw/zinc/64/51/14/1031645114.db2.gz FYPBSSOTMMVVBY-KPACCLEDSA-N 2 1 328.500 3.587 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000647321622 1031688575 /nfs/dbraw/zinc/68/85/75/1031688575.db2.gz AOTNGRRUPLJKDB-HNNXBMFYSA-N 2 1 331.891 3.753 20 0 EHADMP Cc1nn(C)c(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158887573 1031712369 /nfs/dbraw/zinc/71/23/69/1031712369.db2.gz ZAXFFWXWKNPVMX-INIZCTEOSA-N 2 1 332.536 3.513 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109884 1031742190 /nfs/dbraw/zinc/74/21/90/1031742190.db2.gz ITSLSQZFJHUPOB-WOJBJXKFSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109884 1031742206 /nfs/dbraw/zinc/74/22/06/1031742206.db2.gz ITSLSQZFJHUPOB-WOJBJXKFSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109884 1031742218 /nfs/dbraw/zinc/74/22/18/1031742218.db2.gz ITSLSQZFJHUPOB-WOJBJXKFSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109884 1031742230 /nfs/dbraw/zinc/74/22/30/1031742230.db2.gz ITSLSQZFJHUPOB-WOJBJXKFSA-N 2 1 329.532 3.827 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000584140374 1031792263 /nfs/dbraw/zinc/79/22/63/1031792263.db2.gz FYGZIYQESGXLAL-IXDOHACOSA-N 2 1 334.504 3.516 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000584199750 1031923651 /nfs/dbraw/zinc/92/36/51/1031923651.db2.gz VXNCRFHUZDLINH-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000584199750 1031923663 /nfs/dbraw/zinc/92/36/63/1031923663.db2.gz VXNCRFHUZDLINH-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000584199750 1031923680 /nfs/dbraw/zinc/92/36/80/1031923680.db2.gz VXNCRFHUZDLINH-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000584199750 1031923691 /nfs/dbraw/zinc/92/36/91/1031923691.db2.gz VXNCRFHUZDLINH-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337112 1031940955 /nfs/dbraw/zinc/94/09/55/1031940955.db2.gz ODASYANAZXLCRZ-VDISTLRHSA-N 2 1 329.257 3.536 20 0 EHADMP C[C@@]1(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326156 1031948889 /nfs/dbraw/zinc/94/88/89/1031948889.db2.gz FCNMRNYKXIQTPK-SWLSCSKDSA-N 2 1 347.450 3.731 20 0 EHADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326156 1031948896 /nfs/dbraw/zinc/94/88/96/1031948896.db2.gz FCNMRNYKXIQTPK-SWLSCSKDSA-N 2 1 347.450 3.731 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000657836023 1031988851 /nfs/dbraw/zinc/98/88/51/1031988851.db2.gz JTGLSIIDJZFVLF-XLIONFOSSA-N 2 1 328.500 3.862 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000537952523 1032038463 /nfs/dbraw/zinc/03/84/63/1032038463.db2.gz JTAMDWSZNKRLEI-DLBZAZTESA-N 2 1 343.515 3.590 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000537946551 1032050620 /nfs/dbraw/zinc/05/06/20/1032050620.db2.gz KHZHCXOKAGCJFO-ROUUACIJSA-N 2 1 346.515 3.867 20 0 EHADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898250222 1033407924 /nfs/dbraw/zinc/40/79/24/1033407924.db2.gz OBXVABQKTBAMBH-IRLDBZIGSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898250222 1033407929 /nfs/dbraw/zinc/40/79/29/1033407929.db2.gz OBXVABQKTBAMBH-IRLDBZIGSA-N 2 1 335.495 3.890 20 0 EHADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c(C)o1 ZINC000594616676 1033467317 /nfs/dbraw/zinc/46/73/17/1033467317.db2.gz WKZJFJJARIDFCG-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]CCN3CCCc4ccccc43)CC2)cc1 ZINC000608054589 1033470020 /nfs/dbraw/zinc/47/00/20/1033470020.db2.gz QXTFNFCTRFSZCI-UHFFFAOYSA-N 2 1 349.522 3.693 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708584876 1033573509 /nfs/dbraw/zinc/57/35/09/1033573509.db2.gz FHJRUDGNZLZZNZ-ZIBCJSCZSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000685570370 1033576345 /nfs/dbraw/zinc/57/63/45/1033576345.db2.gz QYDZTXUISDYEMA-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598995184 1033648081 /nfs/dbraw/zinc/64/80/81/1033648081.db2.gz VNILKEBDCRCCTF-AWEZNQCLSA-N 2 1 338.517 3.525 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598995184 1033648085 /nfs/dbraw/zinc/64/80/85/1033648085.db2.gz VNILKEBDCRCCTF-AWEZNQCLSA-N 2 1 338.517 3.525 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669684343 1033675889 /nfs/dbraw/zinc/67/58/89/1033675889.db2.gz HTBPVTWQKIUWDU-CWJKEVGVSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000655768080 1033721864 /nfs/dbraw/zinc/72/18/64/1033721864.db2.gz PBABRDYZTQACJW-CTNGQTDRSA-N 2 1 328.500 3.605 20 0 EHADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000550605766 1033724033 /nfs/dbraw/zinc/72/40/33/1033724033.db2.gz ATKIDDHREKTQDG-FDFHNCONSA-N 2 1 337.511 3.714 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550621923 1033753377 /nfs/dbraw/zinc/75/33/77/1033753377.db2.gz PQPWFURVKFNDQP-RRPUWOKSSA-N 2 1 349.522 3.938 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550621923 1033753388 /nfs/dbraw/zinc/75/33/88/1033753388.db2.gz PQPWFURVKFNDQP-RRPUWOKSSA-N 2 1 349.522 3.938 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168306101 1033759625 /nfs/dbraw/zinc/75/96/25/1033759625.db2.gz QDRMTWNHMCVYNO-NEBFTCOFSA-N 3 1 347.522 3.770 20 0 EHADMP CC(C)[C@@H]1C[N@H+](C[C@H](C)C[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577868 1033773892 /nfs/dbraw/zinc/77/38/92/1033773892.db2.gz YTVHXIIDQVKUJB-NNZMDNLPSA-N 2 1 344.634 3.769 20 0 EHADMP CC(C)[C@@H]1C[NH+](C[C@H](C)C[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577868 1033773879 /nfs/dbraw/zinc/77/38/79/1033773879.db2.gz YTVHXIIDQVKUJB-NNZMDNLPSA-N 2 1 344.634 3.769 20 0 EHADMP CC(C)[C@@H]1C[N@@H+](C[C@H](C)C[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577868 1033773909 /nfs/dbraw/zinc/77/39/09/1033773909.db2.gz YTVHXIIDQVKUJB-NNZMDNLPSA-N 2 1 344.634 3.769 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000093639358 1033801130 /nfs/dbraw/zinc/80/11/30/1033801130.db2.gz YPQIQZIBQZOEMK-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000093639358 1033801144 /nfs/dbraw/zinc/80/11/44/1033801144.db2.gz YPQIQZIBQZOEMK-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000550648192 1033815141 /nfs/dbraw/zinc/81/51/41/1033815141.db2.gz YHOSCPURRGVDEH-SFTDATJTSA-N 2 1 331.548 3.920 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000658005176 1033836328 /nfs/dbraw/zinc/83/63/28/1033836328.db2.gz WTFJVFCVAGLPTB-SFHVURJKSA-N 2 1 336.470 3.965 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000658005176 1033836335 /nfs/dbraw/zinc/83/63/35/1033836335.db2.gz WTFJVFCVAGLPTB-SFHVURJKSA-N 2 1 336.470 3.965 20 0 EHADMP COc1cccc(SCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000659945144 1033840442 /nfs/dbraw/zinc/84/04/42/1033840442.db2.gz SGOMAXYKUDRNBU-KRWDZBQOSA-N 2 1 334.529 3.738 20 0 EHADMP COc1cccc(SCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000659945144 1033840456 /nfs/dbraw/zinc/84/04/56/1033840456.db2.gz SGOMAXYKUDRNBU-KRWDZBQOSA-N 2 1 334.529 3.738 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658091635 1033919751 /nfs/dbraw/zinc/91/97/51/1033919751.db2.gz MULQZRFOKNWJAN-YSFYHYPLSA-N 2 1 342.527 3.977 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658146054 1033993210 /nfs/dbraw/zinc/99/32/10/1033993210.db2.gz UICFLASHDJZCIU-SFTDATJTSA-N 2 1 342.458 3.633 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658138224 1034002551 /nfs/dbraw/zinc/00/25/51/1034002551.db2.gz IZVUGFWFPRPQMJ-XMSQKQJNSA-N 2 1 338.495 3.721 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1F ZINC000658167857 1034033215 /nfs/dbraw/zinc/03/32/15/1034033215.db2.gz QSUVPYYBMTWHKV-XLIONFOSSA-N 2 1 334.479 3.756 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658187197 1034051081 /nfs/dbraw/zinc/05/10/81/1034051081.db2.gz KLMNDJJCCDWERY-OWZKRDHZSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CC(F)(F)C3)CC2)oc1C ZINC000529539191 1034139621 /nfs/dbraw/zinc/13/96/21/1034139621.db2.gz UKYXXEGPPPRBPT-CYBMUJFWSA-N 2 1 341.446 3.527 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@H](C)C1 ZINC000119445081 1034153489 /nfs/dbraw/zinc/15/34/89/1034153489.db2.gz ZZGLMDGXFMVIMX-APWZRJJASA-N 2 1 338.923 3.609 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615878 1034158517 /nfs/dbraw/zinc/15/85/17/1034158517.db2.gz GGOOLQPEDCEQLK-JSGCOSHPSA-N 2 1 345.350 3.981 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615878 1034158529 /nfs/dbraw/zinc/15/85/29/1034158529.db2.gz GGOOLQPEDCEQLK-JSGCOSHPSA-N 2 1 345.350 3.981 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615878 1034158536 /nfs/dbraw/zinc/15/85/36/1034158536.db2.gz GGOOLQPEDCEQLK-JSGCOSHPSA-N 2 1 345.350 3.981 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615878 1034158545 /nfs/dbraw/zinc/15/85/45/1034158545.db2.gz GGOOLQPEDCEQLK-JSGCOSHPSA-N 2 1 345.350 3.981 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000658317004 1034191903 /nfs/dbraw/zinc/19/19/03/1034191903.db2.gz UONUWFLVWXHVBC-LRSLUSHPSA-N 2 1 342.527 3.977 20 0 EHADMP COCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319948 1034197205 /nfs/dbraw/zinc/19/72/05/1034197205.db2.gz KCLXLRHPZKKHFW-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)cc2Br)C1 ZINC000537620874 1034221666 /nfs/dbraw/zinc/22/16/66/1034221666.db2.gz ZDBZTAREVMLVHM-HNNXBMFYSA-N 2 1 339.321 3.921 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000421821418 1034237084 /nfs/dbraw/zinc/23/70/84/1034237084.db2.gz RGMWCJIDQXFXNT-OAQYLSRUSA-N 2 1 349.522 3.892 20 0 EHADMP C[C@@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658361911 1034242929 /nfs/dbraw/zinc/24/29/29/1034242929.db2.gz PLXOPAMPPPZFEV-KSCDAYEDSA-N 2 1 338.495 3.609 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC34CCCCC4)CC2)cc1 ZINC000924529019 1034268440 /nfs/dbraw/zinc/26/84/40/1034268440.db2.gz LQQLBLODGNUYKF-HXUWFJFHSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001168120045 1034279709 /nfs/dbraw/zinc/27/97/09/1034279709.db2.gz UTYAJWVENUSVLW-ZIFCJYIRSA-N 2 1 332.488 3.524 20 0 EHADMP C[C@H]1[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000310253728 1034303710 /nfs/dbraw/zinc/30/37/10/1034303710.db2.gz XKHCTAKZMOYMPZ-QFBILLFUSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@H]1[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000310253728 1034303727 /nfs/dbraw/zinc/30/37/27/1034303727.db2.gz XKHCTAKZMOYMPZ-QFBILLFUSA-N 2 1 329.532 3.548 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2c1 ZINC000450430059 1034318869 /nfs/dbraw/zinc/31/88/69/1034318869.db2.gz OVIMSVWIEZNBHD-FOIQADDNSA-N 2 1 325.456 3.552 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349780 1034424430 /nfs/dbraw/zinc/42/44/30/1034424430.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349780 1034424439 /nfs/dbraw/zinc/42/44/39/1034424439.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349780 1034424446 /nfs/dbraw/zinc/42/44/46/1034424446.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349780 1034424453 /nfs/dbraw/zinc/42/44/53/1034424453.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349780 1034424460 /nfs/dbraw/zinc/42/44/60/1034424460.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349780 1034424467 /nfs/dbraw/zinc/42/44/67/1034424467.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349780 1034424473 /nfs/dbraw/zinc/42/44/73/1034424473.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349780 1034424480 /nfs/dbraw/zinc/42/44/80/1034424480.db2.gz OFTNMWMAZZVLAS-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccsc1C(=O)OC ZINC000892466226 1034425679 /nfs/dbraw/zinc/42/56/79/1034425679.db2.gz LQOPEAGZEPIYMF-UHFFFAOYSA-N 2 1 346.496 3.666 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@@H]1c1ccccc1 ZINC000340207431 1034467564 /nfs/dbraw/zinc/46/75/64/1034467564.db2.gz YHQFSROQDKVPIN-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@@H]1c1ccccc1 ZINC000340207431 1034467571 /nfs/dbraw/zinc/46/75/71/1034467571.db2.gz YHQFSROQDKVPIN-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@@H]1c1ccccc1 ZINC000340244682 1034477595 /nfs/dbraw/zinc/47/75/95/1034477595.db2.gz KDCSNUMHZKVTLQ-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@@H]1c1ccccc1 ZINC000340244682 1034477609 /nfs/dbraw/zinc/47/76/09/1034477609.db2.gz KDCSNUMHZKVTLQ-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257377 1034480421 /nfs/dbraw/zinc/48/04/21/1034480421.db2.gz WFDSRICLLYINMB-UFYCRDLUSA-N 2 1 340.515 3.913 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257377 1034480431 /nfs/dbraw/zinc/48/04/31/1034480431.db2.gz WFDSRICLLYINMB-UFYCRDLUSA-N 2 1 340.515 3.913 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@@H]1c1ccccc1 ZINC000340310143 1034492330 /nfs/dbraw/zinc/49/23/30/1034492330.db2.gz QNQKIDBLVSWFRO-UYAOXDASSA-N 2 1 334.467 3.531 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@@H]1c1ccccc1 ZINC000340310143 1034492334 /nfs/dbraw/zinc/49/23/34/1034492334.db2.gz QNQKIDBLVSWFRO-UYAOXDASSA-N 2 1 334.467 3.531 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340362440 1034493976 /nfs/dbraw/zinc/49/39/76/1034493976.db2.gz UXPRJAOCPXDUJO-ZVDOUQERSA-N 2 1 342.483 3.652 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340362440 1034493982 /nfs/dbraw/zinc/49/39/82/1034493982.db2.gz UXPRJAOCPXDUJO-ZVDOUQERSA-N 2 1 342.483 3.652 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1OC1CC1 ZINC000450861981 1034876344 /nfs/dbraw/zinc/87/63/44/1034876344.db2.gz ZGGOXRYLEDNXHR-UHFFFAOYSA-N 2 1 327.472 3.899 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000450861981 1034876360 /nfs/dbraw/zinc/87/63/60/1034876360.db2.gz ZGGOXRYLEDNXHR-UHFFFAOYSA-N 2 1 327.472 3.899 20 0 EHADMP CC(C)CCn1cccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236635504 1035003183 /nfs/dbraw/zinc/00/31/83/1035003183.db2.gz HROPVZJYSAKKNO-KDURUIRLSA-N 2 1 335.536 3.513 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140500 1035076828 /nfs/dbraw/zinc/07/68/28/1035076828.db2.gz AMKGGYHPRZIWBQ-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140500 1035076833 /nfs/dbraw/zinc/07/68/33/1035076833.db2.gz AMKGGYHPRZIWBQ-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140500 1035076842 /nfs/dbraw/zinc/07/68/42/1035076842.db2.gz AMKGGYHPRZIWBQ-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140500 1035076850 /nfs/dbraw/zinc/07/68/50/1035076850.db2.gz AMKGGYHPRZIWBQ-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC)s2)[C@H](C)C1 ZINC000570439520 1035261553 /nfs/dbraw/zinc/26/15/53/1035261553.db2.gz VYAPLPOBZOBEPB-ZBFHGGJFSA-N 2 1 342.574 3.697 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000685840430 1035385761 /nfs/dbraw/zinc/38/57/61/1035385761.db2.gz XJUOOFQFJZSOPR-FQEVSTJZSA-N 2 1 334.507 3.903 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccn(C)n1 ZINC000414075762 1035446567 /nfs/dbraw/zinc/44/65/67/1035446567.db2.gz XSILJQBCXFQQQE-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccn(C)n1 ZINC000414075762 1035446568 /nfs/dbraw/zinc/44/65/68/1035446568.db2.gz XSILJQBCXFQQQE-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085922 1035467348 /nfs/dbraw/zinc/46/73/48/1035467348.db2.gz YZBSFOAEHIZHAK-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085922 1035467351 /nfs/dbraw/zinc/46/73/51/1035467351.db2.gz YZBSFOAEHIZHAK-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085922 1035467356 /nfs/dbraw/zinc/46/73/56/1035467356.db2.gz YZBSFOAEHIZHAK-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]([NH2+]CCOc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351898 1035653630 /nfs/dbraw/zinc/65/36/30/1035653630.db2.gz NUKOEWWLIXFKNX-MJGOQNOKSA-N 2 1 342.458 3.705 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)[nH+]1 ZINC000414128079 1035669832 /nfs/dbraw/zinc/66/98/32/1035669832.db2.gz SWQDHQZVWSSKPQ-ROUUACIJSA-N 2 1 345.531 3.931 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000414177028 1035910682 /nfs/dbraw/zinc/91/06/82/1035910682.db2.gz IUKKOVDPEZGDCG-BBRMVZONSA-N 2 1 341.421 3.799 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000892569755 1036178973 /nfs/dbraw/zinc/17/89/73/1036178973.db2.gz BXHDBKWPOKNKDZ-INIZCTEOSA-N 2 1 328.456 3.952 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000892569755 1036178989 /nfs/dbraw/zinc/17/89/89/1036178989.db2.gz BXHDBKWPOKNKDZ-INIZCTEOSA-N 2 1 328.456 3.952 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000414233388 1036198471 /nfs/dbraw/zinc/19/84/71/1036198471.db2.gz IMDDPAKGJPHAOL-SEONNTABSA-N 2 1 330.516 3.833 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000414233388 1036198479 /nfs/dbraw/zinc/19/84/79/1036198479.db2.gz IMDDPAKGJPHAOL-SEONNTABSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414257306 1036312922 /nfs/dbraw/zinc/31/29/22/1036312922.db2.gz GTKKRPVRCWRSIR-XLIONFOSSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414257306 1036312939 /nfs/dbraw/zinc/31/29/39/1036312939.db2.gz GTKKRPVRCWRSIR-XLIONFOSSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000192059003 1036464057 /nfs/dbraw/zinc/46/40/57/1036464057.db2.gz PLMOZZDUBXBABV-QFIPXVFZSA-N 2 1 347.462 3.663 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000192746703 1036548694 /nfs/dbraw/zinc/54/86/94/1036548694.db2.gz SHTIRJZUTRTSNK-UNMCSNQZSA-N 2 1 343.559 3.528 20 0 EHADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000542465012 1036728717 /nfs/dbraw/zinc/72/87/17/1036728717.db2.gz PIZCVOQNUARRIM-FPOVZHCZSA-N 2 1 349.607 3.941 20 0 EHADMP C[C@H]1CCCC[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465012 1036728735 /nfs/dbraw/zinc/72/87/35/1036728735.db2.gz PIZCVOQNUARRIM-FPOVZHCZSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465012 1036728753 /nfs/dbraw/zinc/72/87/53/1036728753.db2.gz PIZCVOQNUARRIM-FPOVZHCZSA-N 3 1 349.607 3.941 20 0 EHADMP Clc1cnc2oc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2c1 ZINC000648470673 1036750137 /nfs/dbraw/zinc/75/01/37/1036750137.db2.gz PZHXKJNAVGPWDI-UHFFFAOYSA-N 2 1 333.863 3.978 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000539499591 1036817744 /nfs/dbraw/zinc/81/77/44/1036817744.db2.gz IMRHDHWHFXFZAK-RTWAWAEBSA-N 2 1 342.527 3.897 20 0 EHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)c(F)c1 ZINC000539508432 1036849476 /nfs/dbraw/zinc/84/94/76/1036849476.db2.gz LYNRWAHPGMZRQS-NSHDSACASA-N 2 1 327.241 3.501 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccoc3C)CC2)cs1 ZINC000414354302 1036912431 /nfs/dbraw/zinc/91/24/31/1036912431.db2.gz USAWEGYPZFJTTG-UHFFFAOYSA-N 2 1 333.501 3.609 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn3ccsc3n2)CC1 ZINC000178389825 1037034536 /nfs/dbraw/zinc/03/45/36/1037034536.db2.gz UDCHKXXQGBPDHQ-INIZCTEOSA-N 2 1 346.544 3.872 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000178389825 1037034554 /nfs/dbraw/zinc/03/45/54/1037034554.db2.gz UDCHKXXQGBPDHQ-INIZCTEOSA-N 2 1 346.544 3.872 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000178389825 1037034573 /nfs/dbraw/zinc/03/45/73/1037034573.db2.gz UDCHKXXQGBPDHQ-INIZCTEOSA-N 2 1 346.544 3.872 20 0 EHADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000311953316 1037059753 /nfs/dbraw/zinc/05/97/53/1037059753.db2.gz YDOAKPZYYBRENZ-BETUJISGSA-N 2 1 343.696 3.534 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)nn1C ZINC000282103863 1037063817 /nfs/dbraw/zinc/06/38/17/1037063817.db2.gz ISZMXXRBQTUEIF-SFHVURJKSA-N 2 1 340.515 3.811 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(C)C ZINC000647542790 1037066814 /nfs/dbraw/zinc/06/68/14/1037066814.db2.gz BVICAMHYPWBOIN-OALUTQOASA-N 2 1 346.515 3.694 20 0 EHADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647543801 1037093565 /nfs/dbraw/zinc/09/35/65/1037093565.db2.gz SHJDGUSUQSBJCC-CVEARBPZSA-N 2 1 328.456 3.653 20 0 EHADMP Fc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)sc2c1 ZINC000647543860 1037098051 /nfs/dbraw/zinc/09/80/51/1037098051.db2.gz SZAZVZPOWNDYNB-ZIAGYGMSSA-N 2 1 333.476 3.647 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739436 1037140201 /nfs/dbraw/zinc/14/02/01/1037140201.db2.gz GQZFQMJVLQDQPY-VQIMIIECSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739436 1037140210 /nfs/dbraw/zinc/14/02/10/1037140210.db2.gz GQZFQMJVLQDQPY-VQIMIIECSA-N 2 1 334.467 3.896 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000179039412 1037160842 /nfs/dbraw/zinc/16/08/42/1037160842.db2.gz LEWCSKGQOJWRKD-UHFFFAOYSA-N 2 1 342.306 3.928 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Br)s1 ZINC000179039412 1037160848 /nfs/dbraw/zinc/16/08/48/1037160848.db2.gz LEWCSKGQOJWRKD-UHFFFAOYSA-N 2 1 342.306 3.928 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCC1CCOCC1 ZINC000539819161 1037239380 /nfs/dbraw/zinc/23/93/80/1037239380.db2.gz MVDJPCNAFZDABM-UHFFFAOYSA-N 2 1 332.532 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCC1CCOCC1 ZINC000539819161 1037239394 /nfs/dbraw/zinc/23/93/94/1037239394.db2.gz MVDJPCNAFZDABM-UHFFFAOYSA-N 2 1 332.532 3.893 20 0 EHADMP C[NH+](CCC1CCOCC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000539819161 1037239407 /nfs/dbraw/zinc/23/94/07/1037239407.db2.gz MVDJPCNAFZDABM-UHFFFAOYSA-N 2 1 332.532 3.893 20 0 EHADMP C[NH+](CCC1CCOCC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000539819161 1037239421 /nfs/dbraw/zinc/23/94/21/1037239421.db2.gz MVDJPCNAFZDABM-UHFFFAOYSA-N 2 1 332.532 3.893 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280021 1037239759 /nfs/dbraw/zinc/23/97/59/1037239759.db2.gz GKFVSBAWHCLKHA-PKOBYXMFSA-N 2 1 336.907 3.760 20 0 EHADMP Cc1ccc2cc[nH+]c(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000573115518 1037291633 /nfs/dbraw/zinc/29/16/33/1037291633.db2.gz YKQGOAQLXVFYPB-UHFFFAOYSA-N 2 1 339.483 3.624 20 0 EHADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC000462809826 1037414067 /nfs/dbraw/zinc/41/40/67/1037414067.db2.gz SRCYSOIOTJIXQO-WIYYLYMNSA-N 2 1 330.516 3.599 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000462803024 1037420801 /nfs/dbraw/zinc/42/08/01/1037420801.db2.gz PHXRWBIJVFFLEB-VQIMIIECSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000462803024 1037420822 /nfs/dbraw/zinc/42/08/22/1037420822.db2.gz PHXRWBIJVFFLEB-VQIMIIECSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000462803024 1037420827 /nfs/dbraw/zinc/42/08/27/1037420827.db2.gz PHXRWBIJVFFLEB-VQIMIIECSA-N 2 1 346.515 3.804 20 0 EHADMP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C[NH+](C)C ZINC000491593811 1037573460 /nfs/dbraw/zinc/57/34/60/1037573460.db2.gz JSRCYIWFMUIASI-QGZVFWFLSA-N 2 1 342.531 3.516 20 0 EHADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1C(F)(F)F ZINC000623934801 1037575879 /nfs/dbraw/zinc/57/58/79/1037575879.db2.gz DWVKGMRKHGLIAE-PWSUYJOCSA-N 2 1 327.325 3.707 20 0 EHADMP C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000115546106 1037584812 /nfs/dbraw/zinc/58/48/12/1037584812.db2.gz NIKGPFBJABWMFP-UHFFFAOYSA-N 2 1 338.495 3.632 20 0 EHADMP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000115546106 1037584829 /nfs/dbraw/zinc/58/48/29/1037584829.db2.gz NIKGPFBJABWMFP-UHFFFAOYSA-N 2 1 338.495 3.632 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000115546106 1037584842 /nfs/dbraw/zinc/58/48/42/1037584842.db2.gz NIKGPFBJABWMFP-UHFFFAOYSA-N 2 1 338.495 3.632 20 0 EHADMP CC1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001168213056 1037679996 /nfs/dbraw/zinc/67/99/96/1037679996.db2.gz VMZMAIHCCXVLSK-ACBHZAAOSA-N 2 1 346.515 3.914 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccnc3)CC2)cs1 ZINC000112546823 1037763815 /nfs/dbraw/zinc/76/38/15/1037763815.db2.gz JWYDVWMDLAZJQD-OAHLLOKOSA-N 2 1 344.528 3.663 20 0 EHADMP CC[NH2+]CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000573911839 1037800317 /nfs/dbraw/zinc/80/03/17/1037800317.db2.gz SHMQRJOQZPYLQU-HNNXBMFYSA-N 2 1 329.257 3.629 20 0 EHADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC[NH+](C)C ZINC000540403912 1037899322 /nfs/dbraw/zinc/89/93/22/1037899322.db2.gz LDRBFSWHMBZWKP-XHDPSFHLSA-N 2 1 343.334 3.773 20 0 EHADMP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463275470 1037979566 /nfs/dbraw/zinc/97/95/66/1037979566.db2.gz LEBJYLCTUINTEO-CYBMUJFWSA-N 2 1 332.385 3.763 20 0 EHADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123592970 1038043121 /nfs/dbraw/zinc/04/31/21/1038043121.db2.gz CVHUHJSHCXWOMP-UHFFFAOYSA-N 2 1 346.494 3.749 20 0 EHADMP CC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000125079090 1038275580 /nfs/dbraw/zinc/27/55/80/1038275580.db2.gz UYBVQXMIHZDDCZ-LQWHRVPQSA-N 2 1 329.532 3.532 20 0 EHADMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000538726574 1038508012 /nfs/dbraw/zinc/50/80/12/1038508012.db2.gz FKQILFJNHPXVRM-PKOBYXMFSA-N 2 1 329.532 3.837 20 0 EHADMP CCn1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893225446 1038582064 /nfs/dbraw/zinc/58/20/64/1038582064.db2.gz LGXBIAUKRMIANQ-XLIONFOSSA-N 2 1 340.515 3.602 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CO1 ZINC000659980710 1038598691 /nfs/dbraw/zinc/59/86/91/1038598691.db2.gz YLUJEGJPVGZVJG-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000659993749 1038644465 /nfs/dbraw/zinc/64/44/65/1038644465.db2.gz RFMIRMFEOGDRAI-QHAWAJNXSA-N 3 1 347.591 3.551 20 0 EHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659993749 1038644469 /nfs/dbraw/zinc/64/44/69/1038644469.db2.gz RFMIRMFEOGDRAI-QHAWAJNXSA-N 3 1 347.591 3.551 20 0 EHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659993749 1038644473 /nfs/dbraw/zinc/64/44/73/1038644473.db2.gz RFMIRMFEOGDRAI-QHAWAJNXSA-N 3 1 347.591 3.551 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059098 1038659450 /nfs/dbraw/zinc/65/94/50/1038659450.db2.gz MPUVVGWBVUDJLZ-XLIONFOSSA-N 2 1 348.494 3.514 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000462107836 1038753140 /nfs/dbraw/zinc/75/31/40/1038753140.db2.gz ZZCOHTNJFHSIQH-IBGZPJMESA-N 2 1 336.907 3.882 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000479872658 1038817994 /nfs/dbraw/zinc/81/79/94/1038817994.db2.gz IIXVSDVAPBFYSV-HNNXBMFYSA-N 2 1 343.284 3.753 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000479918775 1038898751 /nfs/dbraw/zinc/89/87/51/1038898751.db2.gz XMOYYKFZOIMFOZ-RZUBCFFCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000479918775 1038898758 /nfs/dbraw/zinc/89/87/58/1038898758.db2.gz XMOYYKFZOIMFOZ-RZUBCFFCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000479918775 1038898767 /nfs/dbraw/zinc/89/87/67/1038898767.db2.gz XMOYYKFZOIMFOZ-RZUBCFFCSA-N 2 1 343.559 3.751 20 0 EHADMP OC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000552063659 1038929993 /nfs/dbraw/zinc/92/99/93/1038929993.db2.gz HPJGIGLXXVOUOD-PCCBWWKXSA-N 2 1 342.527 3.572 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)cc1F ZINC000488432726 1039176321 /nfs/dbraw/zinc/17/63/21/1039176321.db2.gz HHEVJHPJFIALLW-YJBOKZPZSA-N 2 1 333.476 3.940 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432786940 1039184581 /nfs/dbraw/zinc/18/45/81/1039184581.db2.gz QJRBFSQQXUZTIB-LJQANCHMSA-N 2 1 340.515 3.912 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432786940 1039184593 /nfs/dbraw/zinc/18/45/93/1039184593.db2.gz QJRBFSQQXUZTIB-LJQANCHMSA-N 2 1 340.515 3.912 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898517029 1039187017 /nfs/dbraw/zinc/18/70/17/1039187017.db2.gz HITMOJITDLTXEP-MHTWAQMVSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000432790421 1039194662 /nfs/dbraw/zinc/19/46/62/1039194662.db2.gz WUIOLTZITILEDX-INIZCTEOSA-N 2 1 326.431 3.821 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000432790421 1039194674 /nfs/dbraw/zinc/19/46/74/1039194674.db2.gz WUIOLTZITILEDX-INIZCTEOSA-N 2 1 326.431 3.821 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)[C@H](C)C1 ZINC000927037472 1039214320 /nfs/dbraw/zinc/21/43/20/1039214320.db2.gz MXHYSPMMZQJTFM-SQNIBIBYSA-N 2 1 340.577 3.531 20 0 EHADMP C[C@@H]1[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC[N@H+]1C ZINC000647686853 1039248851 /nfs/dbraw/zinc/24/88/51/1039248851.db2.gz VBYIIHNHOOTUKK-CRAIPNDOSA-N 2 1 340.471 3.530 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237167209 1039315976 /nfs/dbraw/zinc/31/59/76/1039315976.db2.gz QENBALGSPBRUTD-SJLPKXTDSA-N 2 1 343.515 3.907 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCCC[NH2+]3)nc2)cc1 ZINC000906159631 1039328733 /nfs/dbraw/zinc/32/87/33/1039328733.db2.gz UNKCGHTVYGKAEN-JXFKEZNVSA-N 2 1 336.483 3.943 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000924704697 1039377607 /nfs/dbraw/zinc/37/76/07/1039377607.db2.gz HHOVNYSAEAKFSQ-NSHDSACASA-N 2 1 334.348 3.971 20 0 EHADMP Cc1cc([NH+](C)C)cc(C)c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000760631229 1039381688 /nfs/dbraw/zinc/38/16/88/1039381688.db2.gz ATMZTIAVJCRUCD-UHFFFAOYSA-N 2 1 341.499 3.922 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4cc[nH]c43)c2)CCO1 ZINC000237785434 1039429605 /nfs/dbraw/zinc/42/96/05/1039429605.db2.gz NTMNEGONHZJREU-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4cc[nH]c43)c2)CCO1 ZINC000237785434 1039429615 /nfs/dbraw/zinc/42/96/15/1039429615.db2.gz NTMNEGONHZJREU-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@@H]1C[C@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000511606356 1039448720 /nfs/dbraw/zinc/44/87/20/1039448720.db2.gz ZXEKFCZJIOYUFU-WBVHZDCISA-N 2 1 335.455 3.622 20 0 EHADMP C[C@@H]1C[C@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000511606356 1039448730 /nfs/dbraw/zinc/44/87/30/1039448730.db2.gz ZXEKFCZJIOYUFU-WBVHZDCISA-N 2 1 335.455 3.622 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001212142389 1039667747 /nfs/dbraw/zinc/66/77/47/1039667747.db2.gz KFUTWGNWHWFKSN-AWEZNQCLSA-N 2 1 340.830 3.697 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000667688643 1039667917 /nfs/dbraw/zinc/66/79/17/1039667917.db2.gz YTQQJGCFZPKGEZ-QGZVFWFLSA-N 2 1 344.547 3.774 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000480562045 1039699651 /nfs/dbraw/zinc/69/96/51/1039699651.db2.gz IMAOLGNPJGRKNO-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562045 1039699665 /nfs/dbraw/zinc/69/96/65/1039699665.db2.gz IMAOLGNPJGRKNO-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562045 1039699676 /nfs/dbraw/zinc/69/96/76/1039699676.db2.gz IMAOLGNPJGRKNO-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000417368569 1039739450 /nfs/dbraw/zinc/73/94/50/1039739450.db2.gz OSNYECJAVMNONM-WOZUAGRISA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842157 1039797112 /nfs/dbraw/zinc/79/71/12/1039797112.db2.gz RJKDFTHQTGXYIX-UXHICEINSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842157 1039797133 /nfs/dbraw/zinc/79/71/33/1039797133.db2.gz RJKDFTHQTGXYIX-UXHICEINSA-N 2 1 332.532 3.674 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779497 1039807190 /nfs/dbraw/zinc/80/71/90/1039807190.db2.gz DUBLKUSDIUWLGA-FQEVSTJZSA-N 2 1 344.543 3.962 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779497 1039807211 /nfs/dbraw/zinc/80/72/11/1039807211.db2.gz DUBLKUSDIUWLGA-FQEVSTJZSA-N 2 1 344.543 3.962 20 0 EHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660254451 1040121558 /nfs/dbraw/zinc/12/15/58/1040121558.db2.gz SAQHUAGFIPKEQY-MOPGFXCFSA-N 2 1 346.540 3.631 20 0 EHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660254451 1040121573 /nfs/dbraw/zinc/12/15/73/1040121573.db2.gz SAQHUAGFIPKEQY-MOPGFXCFSA-N 2 1 346.540 3.631 20 0 EHADMP Cc1ccn2c(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cnc2c1 ZINC000486530271 1040218254 /nfs/dbraw/zinc/21/82/54/1040218254.db2.gz CWLJCLWULYYSKU-ICSRJNTNSA-N 2 1 348.494 3.643 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000481027579 1040287888 /nfs/dbraw/zinc/28/78/88/1040287888.db2.gz WCOCGHZZJFSKFM-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(SC)c2)[C@@H](C)C1 ZINC000660304259 1040297077 /nfs/dbraw/zinc/29/70/77/1040297077.db2.gz CJLPAUBWNCYLEW-QFBILLFUSA-N 2 1 336.545 3.635 20 0 EHADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000486646191 1040305919 /nfs/dbraw/zinc/30/59/19/1040305919.db2.gz RNPIWVFZUNBUSR-SCLBCKFNSA-N 2 1 347.409 3.675 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000417945378 1040356445 /nfs/dbraw/zinc/35/64/45/1040356445.db2.gz QYAACBOQUNFCDK-GOSISDBHSA-N 2 1 328.456 3.569 20 0 EHADMP CCC1(Cc2ccccc2)CC[NH+](C2CC[NH+](CCOC)CC2)CC1 ZINC000479560966 1040383570 /nfs/dbraw/zinc/38/35/70/1040383570.db2.gz SHGVWEWIVMYHOA-UHFFFAOYSA-N 2 1 344.543 3.832 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512655798 1040408079 /nfs/dbraw/zinc/40/80/79/1040408079.db2.gz WNARCMMMXIIECV-QHAWAJNXSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000567642591 1040458697 /nfs/dbraw/zinc/45/86/97/1040458697.db2.gz XUBOYBLUUIOJKM-IFXJQAMLSA-N 2 1 344.890 3.635 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000490404496 1040545637 /nfs/dbraw/zinc/54/56/37/1040545637.db2.gz SLWLTQUZHAORSU-NMIHRBCNSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404496 1040545655 /nfs/dbraw/zinc/54/56/55/1040545655.db2.gz SLWLTQUZHAORSU-NMIHRBCNSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404496 1040545671 /nfs/dbraw/zinc/54/56/71/1040545671.db2.gz SLWLTQUZHAORSU-NMIHRBCNSA-N 2 1 342.527 3.788 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924855562 1040659358 /nfs/dbraw/zinc/65/93/58/1040659358.db2.gz WQEBAEBDMBYTGQ-SIKLNZKXSA-N 2 1 342.527 3.693 20 0 EHADMP CSC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000433098602 1040737041 /nfs/dbraw/zinc/73/70/41/1040737041.db2.gz WCINQQXKBYKLQE-IPMKNSEASA-N 2 1 330.541 3.772 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001167752540 1040849197 /nfs/dbraw/zinc/84/91/97/1040849197.db2.gz VXIZRTDJDAOBMB-IEBWSBKVSA-N 2 1 330.520 3.915 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001167752540 1040849207 /nfs/dbraw/zinc/84/92/07/1040849207.db2.gz VXIZRTDJDAOBMB-IEBWSBKVSA-N 2 1 330.520 3.915 20 0 EHADMP COc1ccnc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000924875738 1041004964 /nfs/dbraw/zinc/00/49/64/1041004964.db2.gz XJBJYJRPMXUTHI-HOTGVXAUSA-N 2 1 345.512 3.715 20 0 EHADMP Cc1cc(C)cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390565977 1041016405 /nfs/dbraw/zinc/01/64/05/1041016405.db2.gz NOSJQMGJFMAZHZ-JOCHJYFZSA-N 2 1 338.495 3.684 20 0 EHADMP Cc1cc(C)cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390565977 1041016421 /nfs/dbraw/zinc/01/64/21/1041016421.db2.gz NOSJQMGJFMAZHZ-JOCHJYFZSA-N 2 1 338.495 3.684 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419300610 1041168746 /nfs/dbraw/zinc/16/87/46/1041168746.db2.gz MHHBARLCXWKWDK-GOSISDBHSA-N 2 1 333.426 3.957 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419300610 1041168751 /nfs/dbraw/zinc/16/87/51/1041168751.db2.gz MHHBARLCXWKWDK-GOSISDBHSA-N 2 1 333.426 3.957 20 0 EHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1Cl ZINC000052005464 1041212942 /nfs/dbraw/zinc/21/29/42/1041212942.db2.gz SOJQHZIOKOWYER-UHFFFAOYSA-N 2 1 349.906 3.619 20 0 EHADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)C1 ZINC000899874761 1041259691 /nfs/dbraw/zinc/25/96/91/1041259691.db2.gz KQBTXNZOIMHZBT-GFCCVEGCSA-N 2 1 339.361 3.887 20 0 EHADMP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000512928601 1041265328 /nfs/dbraw/zinc/26/53/28/1041265328.db2.gz ZATJDQPLFIOIRX-RTBURBONSA-N 2 1 338.495 3.801 20 0 EHADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000512928601 1041265338 /nfs/dbraw/zinc/26/53/38/1041265338.db2.gz ZATJDQPLFIOIRX-RTBURBONSA-N 2 1 338.495 3.801 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccccc2OCC)[C@@H](C)C1 ZINC000481717291 1041282168 /nfs/dbraw/zinc/28/21/68/1041282168.db2.gz MQOPWNLQTGTSCD-BJLQDIEVSA-N 2 1 348.531 3.873 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OCC)[C@@H](C)C1 ZINC000481717291 1041282197 /nfs/dbraw/zinc/28/21/97/1041282197.db2.gz MQOPWNLQTGTSCD-BJLQDIEVSA-N 2 1 348.531 3.873 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCCC2CCCCC2)C1 ZINC000571365357 1041295833 /nfs/dbraw/zinc/29/58/33/1041295833.db2.gz RHDNJOYLZLAGIW-OAQYLSRUSA-N 2 1 330.516 3.703 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176838 1041305535 /nfs/dbraw/zinc/30/55/35/1041305535.db2.gz AIJKWSHULADKJQ-NQIIRXRSSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000164176838 1041305542 /nfs/dbraw/zinc/30/55/42/1041305542.db2.gz AIJKWSHULADKJQ-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000164176838 1041305558 /nfs/dbraw/zinc/30/55/58/1041305558.db2.gz AIJKWSHULADKJQ-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176838 1041305573 /nfs/dbraw/zinc/30/55/73/1041305573.db2.gz AIJKWSHULADKJQ-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000512974117 1041333378 /nfs/dbraw/zinc/33/33/78/1041333378.db2.gz CVIHMLXOPZBXOG-DENIHFKCSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000512974117 1041333384 /nfs/dbraw/zinc/33/33/84/1041333384.db2.gz CVIHMLXOPZBXOG-DENIHFKCSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000513025479 1041397585 /nfs/dbraw/zinc/39/75/85/1041397585.db2.gz GDTCGJAFBZAYLB-OKILXGFUSA-N 2 1 345.314 3.972 20 0 EHADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000893411548 1041901615 /nfs/dbraw/zinc/90/16/15/1041901615.db2.gz HESMVURWGZDKKB-LPHOPBHVSA-N 2 1 327.447 3.529 20 0 EHADMP CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000278841728 1041908375 /nfs/dbraw/zinc/90/83/75/1041908375.db2.gz UVZUCNCRGYTQDS-WKCHPHFGSA-N 2 1 342.527 3.978 20 0 EHADMP c1[nH+]c(C2CC[NH+](Cc3cc4cnccc4o3)CC2)n2c1CCCC2 ZINC000651789651 1042035727 /nfs/dbraw/zinc/03/57/27/1042035727.db2.gz UAYHLHVPRMBLCF-UHFFFAOYSA-N 2 1 336.439 3.740 20 0 EHADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1F ZINC000661657610 1042241637 /nfs/dbraw/zinc/24/16/37/1042241637.db2.gz BVPRMSKXZGZWOW-SFHVURJKSA-N 2 1 331.435 3.957 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)cc1F ZINC000661657610 1042241639 /nfs/dbraw/zinc/24/16/39/1042241639.db2.gz BVPRMSKXZGZWOW-SFHVURJKSA-N 2 1 331.435 3.957 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000164473428 1042270706 /nfs/dbraw/zinc/27/07/06/1042270706.db2.gz WWHQVRYFWPTIFC-MRXNPFEDSA-N 2 1 345.487 3.558 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000388575978 1042524756 /nfs/dbraw/zinc/52/47/56/1042524756.db2.gz IBQAPIWXXQRGON-KBPBESRZSA-N 2 1 327.310 3.698 20 0 EHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000388575978 1042524757 /nfs/dbraw/zinc/52/47/57/1042524757.db2.gz IBQAPIWXXQRGON-KBPBESRZSA-N 2 1 327.310 3.698 20 0 EHADMP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662263629 1042640941 /nfs/dbraw/zinc/64/09/41/1042640941.db2.gz OIVWTOYNRJQLLE-GOSISDBHSA-N 2 1 327.497 3.607 20 0 EHADMP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662278674 1042652367 /nfs/dbraw/zinc/65/23/67/1042652367.db2.gz JTUYWBGLKULKOM-GOSISDBHSA-N 2 1 341.524 3.861 20 0 EHADMP C[C@H]1CC2(C[N@H+]1CCSc1ccc(F)cc1F)CC[NH2+]CC2 ZINC000662283090 1042656864 /nfs/dbraw/zinc/65/68/64/1042656864.db2.gz KMPAOHRDBDVIOI-ZDUSSCGKSA-N 2 1 326.456 3.521 20 0 EHADMP Clc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662291006 1042661777 /nfs/dbraw/zinc/66/17/77/1042661777.db2.gz BEHRJSGRNMLPGN-ZDUSSCGKSA-N 2 1 328.287 3.600 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)[C@@H]1CCC[NH3+] ZINC000662316255 1042681636 /nfs/dbraw/zinc/68/16/36/1042681636.db2.gz VEVUYRBTWUMPTR-SJLPKXTDSA-N 2 1 342.487 3.509 20 0 EHADMP CC(C)(CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CC1 ZINC000662326827 1042689624 /nfs/dbraw/zinc/68/96/24/1042689624.db2.gz DAQOOHMXVBRCNX-UHFFFAOYSA-N 2 1 344.547 3.882 20 0 EHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CC2CCCCC2)CC1 ZINC000662326679 1042690328 /nfs/dbraw/zinc/69/03/28/1042690328.db2.gz AHCHQJIUOUTKEP-UHFFFAOYSA-N 2 1 330.520 3.636 20 0 EHADMP Fc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1OC(F)F ZINC000663343672 1042727417 /nfs/dbraw/zinc/72/74/17/1042727417.db2.gz AUECQFGNJSUGKJ-CQSZACIVSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1OC(F)F ZINC000663343672 1042727422 /nfs/dbraw/zinc/72/74/22/1042727422.db2.gz AUECQFGNJSUGKJ-CQSZACIVSA-N 2 1 342.405 3.639 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345923 1042730484 /nfs/dbraw/zinc/73/04/84/1042730484.db2.gz OUSGVKLVCOINBI-FQEVSTJZSA-N 2 1 328.500 3.687 20 0 EHADMP Brc1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347858 1042734877 /nfs/dbraw/zinc/73/48/77/1042734877.db2.gz YBNBPNSTLUNUME-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347570 1042737684 /nfs/dbraw/zinc/73/76/84/1042737684.db2.gz OYXAXGMYUNPMOG-MRXNPFEDSA-N 2 1 337.305 3.661 20 0 EHADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000278901832 1042882036 /nfs/dbraw/zinc/88/20/36/1042882036.db2.gz YSEMGLRMXZJCHR-CQSZACIVSA-N 2 1 345.874 3.578 20 0 EHADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000278901832 1042882039 /nfs/dbraw/zinc/88/20/39/1042882039.db2.gz YSEMGLRMXZJCHR-CQSZACIVSA-N 2 1 345.874 3.578 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464175 1042885417 /nfs/dbraw/zinc/88/54/17/1042885417.db2.gz DBZOHAMBXAZEBP-SJLPKXTDSA-N 2 1 330.520 3.771 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464175 1042885425 /nfs/dbraw/zinc/88/54/25/1042885425.db2.gz DBZOHAMBXAZEBP-SJLPKXTDSA-N 2 1 330.520 3.771 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466417 1042888514 /nfs/dbraw/zinc/88/85/14/1042888514.db2.gz SRSOFVUZAZROOV-QAPCUYQASA-N 2 1 332.536 3.719 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466417 1042888520 /nfs/dbraw/zinc/88/85/20/1042888520.db2.gz SRSOFVUZAZROOV-QAPCUYQASA-N 2 1 332.536 3.719 20 0 EHADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663467767 1042895382 /nfs/dbraw/zinc/89/53/82/1042895382.db2.gz HZORTKDSSOVXJC-CVEARBPZSA-N 2 1 333.545 3.795 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001167827264 1042965340 /nfs/dbraw/zinc/96/53/40/1042965340.db2.gz VJNDGCHSMIKTOC-SJORKVTESA-N 2 1 326.525 3.693 20 0 EHADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786133 1042975630 /nfs/dbraw/zinc/97/56/30/1042975630.db2.gz VWROXGHDTKGTDO-ZANVPECISA-N 2 1 335.225 3.815 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432368276 1043010614 /nfs/dbraw/zinc/01/06/14/1043010614.db2.gz PHPGGPSAKCNPAW-MAUBAPBLSA-N 2 1 336.907 3.834 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001167836601 1043042866 /nfs/dbraw/zinc/04/28/66/1043042866.db2.gz FQNVMEPYTODLPF-PXNSSMCTSA-N 2 1 336.495 3.884 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001167838045 1043046990 /nfs/dbraw/zinc/04/69/90/1043046990.db2.gz PAJJLQKTUCLNLI-QGZVFWFLSA-N 2 1 343.556 3.732 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CCC2)cc1 ZINC000432412622 1043115118 /nfs/dbraw/zinc/11/51/18/1043115118.db2.gz CIRMTSKCPINFAH-NQIIRXRSSA-N 2 1 330.516 3.927 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418364 1043139856 /nfs/dbraw/zinc/13/98/56/1043139856.db2.gz RLLMAEFXGFZFKF-DNVCBOLYSA-N 2 1 336.907 3.882 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCCO1 ZINC000432418655 1043143814 /nfs/dbraw/zinc/14/38/14/1043143814.db2.gz UGPLFOPMXOKCQA-HMXCVIKNSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCCO1 ZINC000432418655 1043143820 /nfs/dbraw/zinc/14/38/20/1043143820.db2.gz UGPLFOPMXOKCQA-HMXCVIKNSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@H](O)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000658359543 1043160509 /nfs/dbraw/zinc/16/05/09/1043160509.db2.gz DPQJYXNAHBWUHC-PZBISTMVSA-N 2 1 330.516 3.741 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)s1 ZINC000512124854 1043334836 /nfs/dbraw/zinc/33/48/36/1043334836.db2.gz SZGAQSUWHWUWTK-UHFFFAOYSA-N 2 1 331.529 3.835 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344444448 1044004776 /nfs/dbraw/zinc/00/47/76/1044004776.db2.gz GVAYVQIAZQHYHG-WIYYLYMNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444448 1044004789 /nfs/dbraw/zinc/00/47/89/1044004789.db2.gz GVAYVQIAZQHYHG-WIYYLYMNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561247 1044473266 /nfs/dbraw/zinc/47/32/66/1044473266.db2.gz FSHCGRAASDIBLO-WAGURGNTSA-N 3 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561247 1044473270 /nfs/dbraw/zinc/47/32/70/1044473270.db2.gz FSHCGRAASDIBLO-WAGURGNTSA-N 3 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561247 1044473275 /nfs/dbraw/zinc/47/32/75/1044473275.db2.gz FSHCGRAASDIBLO-WAGURGNTSA-N 3 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561045 1044473551 /nfs/dbraw/zinc/47/35/51/1044473551.db2.gz FSHCGRAASDIBLO-CZAYHTPWSA-N 3 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561045 1044473558 /nfs/dbraw/zinc/47/35/58/1044473558.db2.gz FSHCGRAASDIBLO-CZAYHTPWSA-N 3 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561045 1044473561 /nfs/dbraw/zinc/47/35/61/1044473561.db2.gz FSHCGRAASDIBLO-CZAYHTPWSA-N 3 1 343.559 3.797 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000279778081 1044645676 /nfs/dbraw/zinc/64/56/76/1044645676.db2.gz BVOMWPZRZMQEII-OAGGEKHMSA-N 2 1 345.487 3.627 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000414228967 1125620722 /nfs/dbraw/zinc/62/07/22/1125620722.db2.gz YWVWHMOWPCPGEB-FKVLARQCSA-N 2 1 336.479 3.724 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000414228967 1125620723 /nfs/dbraw/zinc/62/07/23/1125620723.db2.gz YWVWHMOWPCPGEB-FKVLARQCSA-N 2 1 336.479 3.724 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)C1 ZINC000163221027 1125678796 /nfs/dbraw/zinc/67/87/96/1125678796.db2.gz JMTPFFUBRMSOMP-PKOBYXMFSA-N 2 1 340.515 3.790 20 0 EHADMP c1ccc(C[NH+](CCC[NH2+]C2CCOCC2)Cc2ccccc2)cc1 ZINC000174927334 1126863947 /nfs/dbraw/zinc/86/39/47/1126863947.db2.gz HQRHMYKYEHIUKD-UHFFFAOYSA-N 2 1 338.495 3.848 20 0 EHADMP Nc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000386501355 1126864850 /nfs/dbraw/zinc/86/48/50/1126864850.db2.gz LDPNXGAWWHDJLK-UHFFFAOYSA-N 2 1 335.495 3.757 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344043 1126923030 /nfs/dbraw/zinc/92/30/30/1126923030.db2.gz VFSLNFSHRFUMDV-FQEVSTJZSA-N 2 1 329.532 3.635 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344043 1126923033 /nfs/dbraw/zinc/92/30/33/1126923033.db2.gz VFSLNFSHRFUMDV-FQEVSTJZSA-N 3 1 329.532 3.635 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344043 1126923035 /nfs/dbraw/zinc/92/30/35/1126923035.db2.gz VFSLNFSHRFUMDV-FQEVSTJZSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931842 /nfs/dbraw/zinc/93/18/42/1126931842.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931845 /nfs/dbraw/zinc/93/18/45/1126931845.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931847 /nfs/dbraw/zinc/93/18/47/1126931847.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931849 /nfs/dbraw/zinc/93/18/49/1126931849.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931851 /nfs/dbraw/zinc/93/18/51/1126931851.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931855 /nfs/dbraw/zinc/93/18/55/1126931855.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357228 1126931857 /nfs/dbraw/zinc/93/18/57/1126931857.db2.gz DOKRBECBGFCSFD-WIYYLYMNSA-N 2 1 343.559 3.881 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443669 1126957355 /nfs/dbraw/zinc/95/73/55/1126957355.db2.gz IUKUUUXXCCKQGS-MAUKXSAKSA-N 2 1 326.488 3.704 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447051 1126958053 /nfs/dbraw/zinc/95/80/53/1126958053.db2.gz BAJMPDJOSGFFSQ-ZFWWWQNUSA-N 2 1 339.321 3.843 20 0 EHADMP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)c2O1 ZINC000176993081 1126968002 /nfs/dbraw/zinc/96/80/02/1126968002.db2.gz YFXMBAUXQJMRPN-UHFFFAOYSA-N 2 1 328.500 3.897 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623853376 1127202692 /nfs/dbraw/zinc/20/26/92/1127202692.db2.gz WGPCUQHWGBYKGI-LLVKDONJSA-N 2 1 349.828 3.759 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2C)C1 ZINC000623866940 1127206573 /nfs/dbraw/zinc/20/65/73/1127206573.db2.gz KICVBEINMNVQHI-UONOGXRCSA-N 2 1 325.294 3.750 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624124157 1127256397 /nfs/dbraw/zinc/25/63/97/1127256397.db2.gz YQAOPGACAHMZIR-IKGGRYGDSA-N 2 1 334.504 3.517 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124109 1127256715 /nfs/dbraw/zinc/25/67/15/1127256715.db2.gz XJJYZESAFYQKRJ-CZUORRHYSA-N 2 1 341.421 3.799 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000624123999 1127256776 /nfs/dbraw/zinc/25/67/76/1127256776.db2.gz VLFSOSKLHHBLOG-MSOLQXFVSA-N 2 1 329.513 3.748 20 0 EHADMP C[C@H](CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000184509712 1127407274 /nfs/dbraw/zinc/40/72/74/1127407274.db2.gz MOQDHGBQUCWKME-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H]1CC[NH3+] ZINC000404419745 1127423819 /nfs/dbraw/zinc/42/38/19/1127423819.db2.gz HXMDZRVSGGNCFS-XJKSGUPXSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H]1CC[NH3+] ZINC000404419745 1127423821 /nfs/dbraw/zinc/42/38/21/1127423821.db2.gz HXMDZRVSGGNCFS-XJKSGUPXSA-N 2 1 333.863 3.944 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000383438993 1127542784 /nfs/dbraw/zinc/54/27/84/1127542784.db2.gz DFWGBNSNDBOLBL-RSPOEFSDSA-N 2 1 330.516 3.690 20 0 EHADMP COc1ccc2c(NCc3ccc(-n4cc[nH+]c4C)nc3)cc[nH+]c2c1 ZINC000765471567 1127616857 /nfs/dbraw/zinc/61/68/57/1127616857.db2.gz FLEJTBUTOUIDGN-UHFFFAOYSA-N 2 1 345.406 3.745 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C1 ZINC000921535752 1127681117 /nfs/dbraw/zinc/68/11/17/1127681117.db2.gz LRZOBGCWRAMROZ-QGZVFWFLSA-N 2 1 332.536 3.679 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(Br)s2)C1 ZINC000060978729 1128117291 /nfs/dbraw/zinc/11/72/91/1128117291.db2.gz ZMIOFNRIFHHWRD-BETUJISGSA-N 2 1 345.350 3.968 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(Br)s2)C1 ZINC000060978729 1128117293 /nfs/dbraw/zinc/11/72/93/1128117293.db2.gz ZMIOFNRIFHHWRD-BETUJISGSA-N 2 1 345.350 3.968 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000166307850 1128237018 /nfs/dbraw/zinc/23/70/18/1128237018.db2.gz OVAXKHMCTRFTOA-IAGOWNOFSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000166307850 1128237022 /nfs/dbraw/zinc/23/70/22/1128237022.db2.gz OVAXKHMCTRFTOA-IAGOWNOFSA-N 2 1 341.430 3.729 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(Cl)c1OC ZINC000067507231 1128242376 /nfs/dbraw/zinc/24/23/76/1128242376.db2.gz OYVXXRXAZQDMPS-AWEZNQCLSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(Cl)c1OC ZINC000067507231 1128242379 /nfs/dbraw/zinc/24/23/79/1128242379.db2.gz OYVXXRXAZQDMPS-AWEZNQCLSA-N 2 1 340.895 3.567 20 0 EHADMP Clc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCCC2 ZINC000765793217 1128370465 /nfs/dbraw/zinc/37/04/65/1128370465.db2.gz WMKOXVLRZBLMNN-YQVWRLOYSA-N 2 1 334.891 3.560 20 0 EHADMP COCCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000282275311 1128449038 /nfs/dbraw/zinc/44/90/38/1128449038.db2.gz KSVFIUHMTYYZPO-IBGZPJMESA-N 2 1 333.451 3.868 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000623657513 1128452171 /nfs/dbraw/zinc/45/21/71/1128452171.db2.gz SJOFBGKMAWMADK-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000623657513 1128452172 /nfs/dbraw/zinc/45/21/72/1128452172.db2.gz SJOFBGKMAWMADK-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C(C)C)C[C@@H]3C)CCO2)cc1 ZINC001168630978 1128494627 /nfs/dbraw/zinc/49/46/27/1128494627.db2.gz RLNOOEPPEOFQFS-OFCAXSSNSA-N 2 1 346.515 3.624 20 0 EHADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000542845714 1128685962 /nfs/dbraw/zinc/68/59/62/1128685962.db2.gz HLNICVMIGVYMJS-JRGCBEDISA-N 2 1 330.516 3.702 20 0 EHADMP C[NH+](C/C=C\C[N@H+](C)C1Cc2ccccc2C1)C1Cc2ccccc2C1 ZINC000619727242 1128755291 /nfs/dbraw/zinc/75/52/91/1128755291.db2.gz NKZPQWQBTXSXFB-FPLPWBNLSA-N 2 1 346.518 3.741 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2ccccc2c1 ZINC000282313474 1128770606 /nfs/dbraw/zinc/77/06/06/1128770606.db2.gz NERTXEIIZXBPKC-KRWDZBQOSA-N 2 1 325.500 3.516 20 0 EHADMP Cc1ccc2c(c1Br)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934002 1128773109 /nfs/dbraw/zinc/77/31/09/1128773109.db2.gz YOCFUKDGOQVPIV-LQDVMPOASA-N 2 1 335.289 3.604 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]CCCCn3cc[nH+]c3C)s2)o1 ZINC000128702987 1120017346 /nfs/dbraw/zinc/01/73/46/1120017346.db2.gz ZOAZICAFXCLRJB-UHFFFAOYSA-N 2 1 330.457 3.786 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000109443403 1120112877 /nfs/dbraw/zinc/11/28/77/1120112877.db2.gz JHTOTLXOLZQKEX-FQEVSTJZSA-N 2 1 343.515 3.876 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168392079 1120328545 /nfs/dbraw/zinc/32/85/45/1120328545.db2.gz AVERCSJFZXKVIZ-UHFFFAOYSA-N 2 1 327.350 3.502 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2ccnn2C2CCC2)c(C)c1 ZINC000921920073 1128917568 /nfs/dbraw/zinc/91/75/68/1128917568.db2.gz FMGUUVLPGLFOPL-OAQYLSRUSA-N 2 1 349.482 3.953 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)C1CCCCC1 ZINC000191034752 1120659324 /nfs/dbraw/zinc/65/93/24/1120659324.db2.gz CSTQNRMBMOCHSU-NRFANRHFSA-N 2 1 345.531 3.561 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000191441064 1120673935 /nfs/dbraw/zinc/67/39/35/1120673935.db2.gz BBYJEEYKOJHLGB-HXUWFJFHSA-N 2 1 343.559 3.703 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000494886095 1120895040 /nfs/dbraw/zinc/89/50/40/1120895040.db2.gz MCMZAUHZAZITJC-FUHWJXTLSA-N 2 1 333.524 3.670 20 0 EHADMP CCOc1ccccc1OCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531036 1120924547 /nfs/dbraw/zinc/92/45/47/1120924547.db2.gz IRIPRYUBHGOABO-MSOLQXFVSA-N 2 1 346.515 3.707 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCSC2)CC3)cc1 ZINC000494996293 1120928464 /nfs/dbraw/zinc/92/84/64/1120928464.db2.gz NCMZUKSWGQQLCW-IBGZPJMESA-N 2 1 330.541 3.728 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000915226931 1121262969 /nfs/dbraw/zinc/26/29/69/1121262969.db2.gz AFEAPVMRWAKPFD-UHFFFAOYSA-N 2 1 329.532 3.887 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706372 1128995873 /nfs/dbraw/zinc/99/58/73/1128995873.db2.gz XBIRYVOPDZDCQB-VMGRFDJRSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706372 1128995878 /nfs/dbraw/zinc/99/58/78/1128995878.db2.gz XBIRYVOPDZDCQB-VMGRFDJRSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921981916 1128996367 /nfs/dbraw/zinc/99/63/67/1128996367.db2.gz YSOGAZZQCXDXIH-SJLPKXTDSA-N 2 1 327.516 3.703 20 0 EHADMP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921981916 1128996370 /nfs/dbraw/zinc/99/63/70/1128996370.db2.gz YSOGAZZQCXDXIH-SJLPKXTDSA-N 2 1 327.516 3.703 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1c(F)cccc1F ZINC000916839658 1122364647 /nfs/dbraw/zinc/36/46/47/1122364647.db2.gz HPCCUDDOMCJUID-CQSZACIVSA-N 2 1 334.410 3.756 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000065976484 1122450578 /nfs/dbraw/zinc/45/05/78/1122450578.db2.gz FQAHFJIOCAOFIZ-UHFFFAOYSA-N 2 1 328.504 3.768 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127372931 1122480320 /nfs/dbraw/zinc/48/03/20/1122480320.db2.gz GFSGKBAVMDMEOR-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)C(C)(C)C)c(OC)c1 ZINC000127408175 1122482513 /nfs/dbraw/zinc/48/25/13/1122482513.db2.gz HIEHRRUBCYGLNJ-UHFFFAOYSA-N 2 1 345.487 3.900 20 0 EHADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)C(C)(C)C)c(OC)c1 ZINC000127408175 1122482516 /nfs/dbraw/zinc/48/25/16/1122482516.db2.gz HIEHRRUBCYGLNJ-UHFFFAOYSA-N 2 1 345.487 3.900 20 0 EHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000127418779 1122483036 /nfs/dbraw/zinc/48/30/36/1122483036.db2.gz AFVRRJIEUCSFMT-QGZVFWFLSA-N 2 1 342.487 3.711 20 0 EHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000127418779 1122483038 /nfs/dbraw/zinc/48/30/38/1122483038.db2.gz AFVRRJIEUCSFMT-QGZVFWFLSA-N 2 1 342.487 3.711 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000127421772 1122483346 /nfs/dbraw/zinc/48/33/46/1122483346.db2.gz LMMLBRQMBMCWOO-FQEVSTJZSA-N 2 1 348.450 3.551 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000069833250 1122843108 /nfs/dbraw/zinc/84/31/08/1122843108.db2.gz ASSKZDQEATXKOJ-KDURUIRLSA-N 2 1 338.495 3.894 20 0 EHADMP C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000556235920 1122888205 /nfs/dbraw/zinc/88/82/05/1122888205.db2.gz JBPPRBSLAUCUHJ-JSRJAPPDSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243859 1122894804 /nfs/dbraw/zinc/89/48/04/1122894804.db2.gz PRXBWMBASDVXBD-HKUYNNGSSA-N 2 1 334.467 3.507 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243859 1122894810 /nfs/dbraw/zinc/89/48/10/1122894810.db2.gz PRXBWMBASDVXBD-HKUYNNGSSA-N 2 1 334.467 3.507 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000556385938 1122958526 /nfs/dbraw/zinc/95/85/26/1122958526.db2.gz LUTJGVMXHAMDGF-CYBMUJFWSA-N 2 1 335.904 3.895 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000556385938 1122958529 /nfs/dbraw/zinc/95/85/29/1122958529.db2.gz LUTJGVMXHAMDGF-CYBMUJFWSA-N 2 1 335.904 3.895 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000130836949 1123008994 /nfs/dbraw/zinc/00/89/94/1123008994.db2.gz ZBLSKEDRGAHACW-IZZBFERCSA-N 2 1 330.516 3.802 20 0 EHADMP c1[nH]nc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc12 ZINC000131087793 1123038628 /nfs/dbraw/zinc/03/86/28/1123038628.db2.gz XPHSRQLQRAEHFG-GOSISDBHSA-N 2 1 326.488 3.651 20 0 EHADMP c1[nH]nc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc12 ZINC000131087793 1123038632 /nfs/dbraw/zinc/03/86/32/1123038632.db2.gz XPHSRQLQRAEHFG-GOSISDBHSA-N 2 1 326.488 3.651 20 0 EHADMP CCc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215062 1123096635 /nfs/dbraw/zinc/09/66/35/1123096635.db2.gz HEPPCAOQSHEHGK-HOTGVXAUSA-N 2 1 325.294 3.713 20 0 EHADMP CCc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215062 1123096639 /nfs/dbraw/zinc/09/66/39/1123096639.db2.gz HEPPCAOQSHEHGK-HOTGVXAUSA-N 2 1 325.294 3.713 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000135092503 1123581560 /nfs/dbraw/zinc/58/15/60/1123581560.db2.gz TWMUDTGIGTXLFF-FQEVSTJZSA-N 2 1 344.499 3.702 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000135092503 1123581565 /nfs/dbraw/zinc/58/15/65/1123581565.db2.gz TWMUDTGIGTXLFF-FQEVSTJZSA-N 2 1 344.499 3.702 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000081567713 1123846770 /nfs/dbraw/zinc/84/67/70/1123846770.db2.gz APPPLKZAMPSUJC-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245707532 1123931941 /nfs/dbraw/zinc/93/19/41/1123931941.db2.gz MSVRWWJSASTPCM-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245707532 1123931942 /nfs/dbraw/zinc/93/19/42/1123931942.db2.gz MSVRWWJSASTPCM-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245707532 1123931944 /nfs/dbraw/zinc/93/19/44/1123931944.db2.gz MSVRWWJSASTPCM-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801699 1123954257 /nfs/dbraw/zinc/95/42/57/1123954257.db2.gz XWLWAPIVNDPJSO-GOEBONIOSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801699 1123954261 /nfs/dbraw/zinc/95/42/61/1123954261.db2.gz XWLWAPIVNDPJSO-GOEBONIOSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801699 1123954263 /nfs/dbraw/zinc/95/42/63/1123954263.db2.gz XWLWAPIVNDPJSO-GOEBONIOSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OC(F)F ZINC000245801699 1123954266 /nfs/dbraw/zinc/95/42/66/1123954266.db2.gz XWLWAPIVNDPJSO-GOEBONIOSA-N 2 1 326.431 3.819 20 0 EHADMP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246446677 1124470284 /nfs/dbraw/zinc/47/02/84/1124470284.db2.gz OWLKTNPNPLQUDI-DCGLDWPTSA-N 2 1 335.289 3.653 20 0 EHADMP CSc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246457230 1124471721 /nfs/dbraw/zinc/47/17/21/1124471721.db2.gz FGPFAARRTFSYAL-JXFKEZNVSA-N 2 1 346.540 3.736 20 0 EHADMP CSc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246457230 1124471726 /nfs/dbraw/zinc/47/17/26/1124471726.db2.gz FGPFAARRTFSYAL-JXFKEZNVSA-N 2 1 346.540 3.736 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)cc1 ZINC000617351913 1124494339 /nfs/dbraw/zinc/49/43/39/1124494339.db2.gz RXJYYEUSLQFDID-IBGZPJMESA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617351913 1124494345 /nfs/dbraw/zinc/49/43/45/1124494345.db2.gz RXJYYEUSLQFDID-IBGZPJMESA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000617351913 1124494351 /nfs/dbraw/zinc/49/43/51/1124494351.db2.gz RXJYYEUSLQFDID-IBGZPJMESA-N 2 1 345.531 3.521 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000247016390 1124579152 /nfs/dbraw/zinc/57/91/52/1124579152.db2.gz KPSSXBILUWJMHQ-TWOQFEAHSA-N 2 1 346.515 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000247016390 1124579157 /nfs/dbraw/zinc/57/91/57/1124579157.db2.gz KPSSXBILUWJMHQ-TWOQFEAHSA-N 2 1 346.515 3.835 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc2ccccc21 ZINC000247334276 1124605112 /nfs/dbraw/zinc/60/51/12/1124605112.db2.gz NAQNXIJQUUGTQO-HKUYNNGSSA-N 2 1 326.484 3.727 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCO2 ZINC000248397840 1124656165 /nfs/dbraw/zinc/65/61/65/1124656165.db2.gz IGGUXXBREOALCI-ZOBUZTSGSA-N 2 1 330.472 3.719 20 0 EHADMP CC[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000649417104 1124727201 /nfs/dbraw/zinc/72/72/01/1124727201.db2.gz XYDPMLGJFIOJCA-LRDDRELGSA-N 2 1 348.288 3.557 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000649417104 1124727216 /nfs/dbraw/zinc/72/72/16/1124727216.db2.gz XYDPMLGJFIOJCA-LRDDRELGSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccnn1C ZINC000249033779 1124727501 /nfs/dbraw/zinc/72/75/01/1124727501.db2.gz RVTVLZVYAJDBGZ-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000249299178 1124750351 /nfs/dbraw/zinc/75/03/51/1124750351.db2.gz RUGDMXCIUXPZBV-GDBMZVCRSA-N 2 1 328.422 3.958 20 0 EHADMP COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000090585605 1124923523 /nfs/dbraw/zinc/92/35/23/1124923523.db2.gz SJHZZXLJVJMSHJ-IRXDYDNUSA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000090585605 1124923528 /nfs/dbraw/zinc/92/35/28/1124923528.db2.gz SJHZZXLJVJMSHJ-IRXDYDNUSA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000090585605 1124923533 /nfs/dbraw/zinc/92/35/33/1124923533.db2.gz SJHZZXLJVJMSHJ-IRXDYDNUSA-N 2 1 334.504 3.722 20 0 EHADMP CCc1ccc([C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)C(C)C)cc1 ZINC000091285182 1124973669 /nfs/dbraw/zinc/97/36/69/1124973669.db2.gz WHYHVQUJUBCTBP-QFIPXVFZSA-N 2 1 345.575 3.953 20 0 EHADMP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000091311179 1124975977 /nfs/dbraw/zinc/97/59/77/1124975977.db2.gz CMHJGSPKEQTCNR-LLGFUMIMSA-N 2 1 346.515 3.625 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770174 1125307490 /nfs/dbraw/zinc/30/74/90/1125307490.db2.gz LHXIJOVNUHHTOY-OAHLLOKOSA-N 2 1 326.431 3.678 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770174 1125307492 /nfs/dbraw/zinc/30/74/92/1125307492.db2.gz LHXIJOVNUHHTOY-OAHLLOKOSA-N 2 1 326.431 3.678 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770174 1125307496 /nfs/dbraw/zinc/30/74/96/1125307496.db2.gz LHXIJOVNUHHTOY-OAHLLOKOSA-N 2 1 326.431 3.678 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770174 1125307498 /nfs/dbraw/zinc/30/74/98/1125307498.db2.gz LHXIJOVNUHHTOY-OAHLLOKOSA-N 2 1 326.431 3.678 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2c(s1)CCC2 ZINC000765980527 1129421767 /nfs/dbraw/zinc/42/17/67/1129421767.db2.gz ZZWCMUWTVZQICM-WMLDXEAASA-N 2 1 334.529 3.531 20 0 EHADMP CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000543395262 1129457604 /nfs/dbraw/zinc/45/76/04/1129457604.db2.gz UPUYHGXOAABVIX-KZNAEPCWSA-N 2 1 345.512 3.959 20 0 EHADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658143608 1130195883 /nfs/dbraw/zinc/19/58/83/1130195883.db2.gz ZODQVDXQZGIHLZ-VXKWHMMOSA-N 2 1 338.495 3.740 20 0 EHADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658143610 1130196004 /nfs/dbraw/zinc/19/60/04/1130196004.db2.gz ZODQVDXQZGIHLZ-YADHBBJMSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310851043 1130412105 /nfs/dbraw/zinc/41/21/05/1130412105.db2.gz PPYHJEUODDAVGW-SESVDKBCSA-N 2 1 342.527 3.978 20 0 EHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675882612 1130501087 /nfs/dbraw/zinc/50/10/87/1130501087.db2.gz STNPCSZTUIDTTC-DYESRHJHSA-N 2 1 346.515 3.768 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000766250711 1131527377 /nfs/dbraw/zinc/52/73/77/1131527377.db2.gz UMYCAZSJHSCPRO-JOCHJYFZSA-N 2 1 349.478 3.736 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000766250711 1131527381 /nfs/dbraw/zinc/52/73/81/1131527381.db2.gz UMYCAZSJHSCPRO-JOCHJYFZSA-N 2 1 349.478 3.736 20 0 EHADMP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001172391071 1131729508 /nfs/dbraw/zinc/72/95/08/1131729508.db2.gz CXXDTMUOVGEEHF-ACRUOGEOSA-N 2 1 335.580 3.740 20 0 EHADMP CC[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001172391072 1131729514 /nfs/dbraw/zinc/72/95/14/1131729514.db2.gz CXXDTMUOVGEEHF-NJDAHSKKSA-N 2 1 335.580 3.740 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172578227 1131790699 /nfs/dbraw/zinc/79/06/99/1131790699.db2.gz OHJGBYJWQWAQJQ-LBPRGKRZSA-N 2 1 339.817 3.694 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172578227 1131790704 /nfs/dbraw/zinc/79/07/04/1131790704.db2.gz OHJGBYJWQWAQJQ-LBPRGKRZSA-N 2 1 339.817 3.694 20 0 EHADMP CC[N@@H+]1C[C@H]2CN([C@H](C)CCc3c(F)cc(Cl)cc3F)C[C@H]2C1 ZINC001172583300 1131791567 /nfs/dbraw/zinc/79/15/67/1131791567.db2.gz HIXSXNAGNDEARV-MCIONIFRSA-N 2 1 342.861 3.823 20 0 EHADMP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583300 1131791570 /nfs/dbraw/zinc/79/15/70/1131791570.db2.gz HIXSXNAGNDEARV-MCIONIFRSA-N 2 1 342.861 3.823 20 0 EHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583300 1131791573 /nfs/dbraw/zinc/79/15/73/1131791573.db2.gz HIXSXNAGNDEARV-MCIONIFRSA-N 2 1 342.861 3.823 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583300 1131791577 /nfs/dbraw/zinc/79/15/77/1131791577.db2.gz HIXSXNAGNDEARV-MCIONIFRSA-N 2 1 342.861 3.823 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583300 1131791582 /nfs/dbraw/zinc/79/15/82/1131791582.db2.gz HIXSXNAGNDEARV-MCIONIFRSA-N 2 1 342.861 3.823 20 0 EHADMP CC1(C)CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001172644166 1131799076 /nfs/dbraw/zinc/79/90/76/1131799076.db2.gz JCUHCWFDONAVMB-SFHVURJKSA-N 2 1 330.516 3.834 20 0 EHADMP CC1(C)CC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC(C)(C)O1 ZINC001172657367 1131803497 /nfs/dbraw/zinc/80/34/97/1131803497.db2.gz ZPSYQYXUKGCEPP-HZPDHXFCSA-N 2 1 348.556 3.848 20 0 EHADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@H]1F ZINC001206174151 1131828847 /nfs/dbraw/zinc/82/88/47/1131828847.db2.gz LZDUADSOUZOIDD-MSOLQXFVSA-N 2 1 332.394 3.879 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@H]1F ZINC001206174151 1131828850 /nfs/dbraw/zinc/82/88/50/1131828850.db2.gz LZDUADSOUZOIDD-MSOLQXFVSA-N 2 1 332.394 3.879 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172826933 1131852932 /nfs/dbraw/zinc/85/29/32/1131852932.db2.gz YDJJWKCPUFNNEN-OFNKIYASSA-N 2 1 334.507 3.964 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173105997 1131967908 /nfs/dbraw/zinc/96/79/08/1131967908.db2.gz PWBBLVZJXZYZBB-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001173106730 1131967938 /nfs/dbraw/zinc/96/79/38/1131967938.db2.gz DPACKMXWOXCYIB-PELRDEGISA-N 2 1 331.548 3.736 20 0 EHADMP CC[NH+](CC)C1CCC(N2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173107147 1131968900 /nfs/dbraw/zinc/96/89/00/1131968900.db2.gz WXGSAHKGKCGQTK-UHFFFAOYSA-N 2 1 347.522 3.729 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173107147 1131968903 /nfs/dbraw/zinc/96/89/03/1131968903.db2.gz WXGSAHKGKCGQTK-UHFFFAOYSA-N 3 1 347.522 3.729 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3ncccc3C)C2)CC1 ZINC001173113902 1131971938 /nfs/dbraw/zinc/97/19/38/1131971938.db2.gz OGIZCDNPMYBUOY-SOAGJPPSSA-N 2 1 345.531 3.886 20 0 EHADMP CCOC(=O)C[C@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C[C@H]1C ZINC001173117476 1131972571 /nfs/dbraw/zinc/97/25/71/1131972571.db2.gz MZXCZTHLDDHACR-YYZRRKBYSA-N 2 1 338.536 3.551 20 0 EHADMP C[C@H](CC(c1ccccc1)c1ccccc1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173212716 1132014259 /nfs/dbraw/zinc/01/42/59/1132014259.db2.gz ZCWVHYXEGHHNGZ-YLJYHZDGSA-N 2 1 349.478 3.528 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001173279129 1132039783 /nfs/dbraw/zinc/03/97/83/1132039783.db2.gz GVFWPVUYBCDFQM-HKUYNNGSSA-N 2 1 332.488 3.525 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001173279129 1132039792 /nfs/dbraw/zinc/03/97/92/1132039792.db2.gz GVFWPVUYBCDFQM-HKUYNNGSSA-N 2 1 332.488 3.525 20 0 EHADMP CC(=O)Oc1ccc(C2CCC(n3cc[nH+]c3CCC[NH3+])CC2)cc1 ZINC001173793445 1132150543 /nfs/dbraw/zinc/15/05/43/1132150543.db2.gz ZHALOFRLKHDEEU-UHFFFAOYSA-N 2 1 341.455 3.599 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC001173793270 1132150743 /nfs/dbraw/zinc/15/07/43/1132150743.db2.gz UYZNSCTUSGGSKM-YUBLCYSFSA-N 2 1 344.499 3.568 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC001173793270 1132150745 /nfs/dbraw/zinc/15/07/45/1132150745.db2.gz UYZNSCTUSGGSKM-YUBLCYSFSA-N 2 1 344.499 3.568 20 0 EHADMP C[C@@H]1C[C@@H](NCc2nn(C)c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000379655407 1132436463 /nfs/dbraw/zinc/43/64/63/1132436463.db2.gz LPRSMOBANQCEBJ-MJGOQNOKSA-N 2 1 348.494 3.716 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390589802 1132515263 /nfs/dbraw/zinc/51/52/63/1132515263.db2.gz RVTLJZHDTNICMJ-WNTWWTRPSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169067146 1132649256 /nfs/dbraw/zinc/64/92/56/1132649256.db2.gz HEUWCDCTILNGFD-VAMGGRTRSA-N 2 1 330.516 3.615 20 0 EHADMP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001169067109 1132650073 /nfs/dbraw/zinc/65/00/73/1132650073.db2.gz GJEDHUWHUOIYPA-NRFANRHFSA-N 2 1 337.511 3.989 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OCc3ccccc3)c1)C2 ZINC001169090240 1132660820 /nfs/dbraw/zinc/66/08/20/1132660820.db2.gz IYWSWCJNUBWPPO-MZADTFQBSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OCc3ccccc3)c1)C2 ZINC001169090240 1132660825 /nfs/dbraw/zinc/66/08/25/1132660825.db2.gz IYWSWCJNUBWPPO-MZADTFQBSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[C@@H](c4ccccc4)CO3)CC1)C2 ZINC001169133954 1132666670 /nfs/dbraw/zinc/66/66/70/1132666670.db2.gz OIBHMJBPLFLPIK-MXEMCNAFSA-N 2 1 340.511 3.650 20 0 EHADMP CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169106867 1132669233 /nfs/dbraw/zinc/66/92/33/1132669233.db2.gz APJJEZVKGIXKAJ-YYIAUSFCSA-N 2 1 326.488 3.880 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC001175444832 1132671930 /nfs/dbraw/zinc/67/19/30/1132671930.db2.gz OXCZPDZOJLNDPD-PMACEKPBSA-N 2 1 330.541 3.857 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001169115335 1132672410 /nfs/dbraw/zinc/67/24/10/1132672410.db2.gz IVROPHXSANRXFC-TVFCKZIOSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[NH+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115576 1132672725 /nfs/dbraw/zinc/67/27/25/1132672725.db2.gz LCQXPQNEHNHHMR-MXEMCNAFSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115576 1132672730 /nfs/dbraw/zinc/67/27/30/1132672730.db2.gz LCQXPQNEHNHHMR-MXEMCNAFSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115576 1132672732 /nfs/dbraw/zinc/67/27/32/1132672732.db2.gz LCQXPQNEHNHHMR-MXEMCNAFSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115576 1132672735 /nfs/dbraw/zinc/67/27/35/1132672735.db2.gz LCQXPQNEHNHHMR-MXEMCNAFSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115576 1132672739 /nfs/dbraw/zinc/67/27/39/1132672739.db2.gz LCQXPQNEHNHHMR-MXEMCNAFSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccc(Br)cc3)C1)C2 ZINC001169147052 1132676030 /nfs/dbraw/zinc/67/60/30/1132676030.db2.gz RZRCLOZSQAUBAF-BGTYHANMSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3ccc(Br)cc3)C1)C2 ZINC001169147052 1132676033 /nfs/dbraw/zinc/67/60/33/1132676033.db2.gz RZRCLOZSQAUBAF-BGTYHANMSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3ccc(Br)cc3)C1)C2 ZINC001169147052 1132676036 /nfs/dbraw/zinc/67/60/36/1132676036.db2.gz RZRCLOZSQAUBAF-BGTYHANMSA-N 2 1 349.316 3.864 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169160674 1132682812 /nfs/dbraw/zinc/68/28/12/1132682812.db2.gz KFWWOJYOXMZEAS-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160674 1132682815 /nfs/dbraw/zinc/68/28/15/1132682815.db2.gz KFWWOJYOXMZEAS-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160674 1132682817 /nfs/dbraw/zinc/68/28/17/1132682817.db2.gz KFWWOJYOXMZEAS-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP CC[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2Cl)N(C)C)CC1 ZINC001169232777 1132703132 /nfs/dbraw/zinc/70/31/32/1132703132.db2.gz BDDPBMRCLFUUAC-KRWDZBQOSA-N 2 1 344.330 3.670 20 0 EHADMP CC[NH+]1CCN(c2ccc(Nc3ccc4[nH+]c(C)cn4c3)cc2)CC1 ZINC001175782785 1132766021 /nfs/dbraw/zinc/76/60/21/1132766021.db2.gz DGNQPVRFKWOHNC-UHFFFAOYSA-N 2 1 335.455 3.528 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CCC[C@H]1C[NH3+] ZINC001206013108 1132789450 /nfs/dbraw/zinc/78/94/50/1132789450.db2.gz PMIKOFNAORZYJO-NEPJUHHUSA-N 2 1 334.357 3.531 20 0 EHADMP CC(C)C[C@@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001177199880 1133037712 /nfs/dbraw/zinc/03/77/12/1133037712.db2.gz RCPKUQFJZXUVGM-PMACEKPBSA-N 2 1 331.548 3.605 20 0 EHADMP C[C@H]1C[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026699 1133090423 /nfs/dbraw/zinc/09/04/23/1133090423.db2.gz UBRXNEUCHDWGAO-WDEREUQCSA-N 2 1 335.801 3.561 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177795075 1133103794 /nfs/dbraw/zinc/10/37/94/1133103794.db2.gz NPFZUTYAPCWNQS-SFTDATJTSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795075 1133103798 /nfs/dbraw/zinc/10/37/98/1133103798.db2.gz NPFZUTYAPCWNQS-SFTDATJTSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795075 1133103800 /nfs/dbraw/zinc/10/38/00/1133103800.db2.gz NPFZUTYAPCWNQS-SFTDATJTSA-N 2 1 343.559 3.894 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC001177843636 1133107137 /nfs/dbraw/zinc/10/71/37/1133107137.db2.gz CNUMTRBMIIMXIT-QFBILLFUSA-N 2 1 338.923 3.875 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001206318969 1133143365 /nfs/dbraw/zinc/14/33/65/1133143365.db2.gz WHEAUUAJJVPFCR-INIZCTEOSA-N 2 1 332.822 3.892 20 0 EHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC001179123025 1133230283 /nfs/dbraw/zinc/23/02/83/1133230283.db2.gz KZORGWQUMNCRIR-NJDAHSKKSA-N 2 1 330.516 3.558 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccccc2N2CCCCC2)C[C@@H]1C ZINC000769471612 1133298052 /nfs/dbraw/zinc/29/80/52/1133298052.db2.gz WQFQYQBIYYTENM-ICSRJNTNSA-N 2 1 329.532 3.982 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)C[C@@H]1C ZINC000769471612 1133298055 /nfs/dbraw/zinc/29/80/55/1133298055.db2.gz WQFQYQBIYYTENM-ICSRJNTNSA-N 2 1 329.532 3.982 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)C[C@@H]1C ZINC000769471612 1133298063 /nfs/dbraw/zinc/29/80/63/1133298063.db2.gz WQFQYQBIYYTENM-ICSRJNTNSA-N 2 1 329.532 3.982 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769502821 1133303624 /nfs/dbraw/zinc/30/36/24/1133303624.db2.gz ACVLWLDBXUTGFO-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769502821 1133303627 /nfs/dbraw/zinc/30/36/27/1133303627.db2.gz ACVLWLDBXUTGFO-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000152155232 1133602849 /nfs/dbraw/zinc/60/28/49/1133602849.db2.gz XNGXRVBMHXPFPN-CQSZACIVSA-N 2 1 329.410 3.845 20 0 EHADMP C[C@H]([NH2+][C@H](CO)CC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001182463067 1133681457 /nfs/dbraw/zinc/68/14/57/1133681457.db2.gz STWXWHNQBAIKLS-NYVOZVTQSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001182463068 1133681662 /nfs/dbraw/zinc/68/16/62/1133681662.db2.gz STWXWHNQBAIKLS-VLCRHTCISA-N 2 1 344.543 3.818 20 0 EHADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000788801072 1134171318 /nfs/dbraw/zinc/17/13/18/1134171318.db2.gz YCVXCMQRJSULED-FUHWJXTLSA-N 2 1 341.886 3.834 20 0 EHADMP Clc1ccc2c(n1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000788801072 1134171320 /nfs/dbraw/zinc/17/13/20/1134171320.db2.gz YCVXCMQRJSULED-FUHWJXTLSA-N 2 1 341.886 3.834 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC001186360404 1134201038 /nfs/dbraw/zinc/20/10/38/1134201038.db2.gz MLOWTDGIKKBBHO-SFHVURJKSA-N 2 1 343.515 3.731 20 0 EHADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC001186360404 1134201046 /nfs/dbraw/zinc/20/10/46/1134201046.db2.gz MLOWTDGIKKBBHO-SFHVURJKSA-N 2 1 343.515 3.731 20 0 EHADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC001186360404 1134201053 /nfs/dbraw/zinc/20/10/53/1134201053.db2.gz MLOWTDGIKKBBHO-SFHVURJKSA-N 2 1 343.515 3.731 20 0 EHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CC[C@H](C)C4)CC3)C2)cc1 ZINC001170145862 1134480587 /nfs/dbraw/zinc/48/05/87/1134480587.db2.gz WNTZYCGHXHULCI-FPOVZHCZSA-N 2 1 342.527 3.850 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001170206682 1134705523 /nfs/dbraw/zinc/70/55/23/1134705523.db2.gz ADBWLKKCMUJXGE-ZWKOTPCHSA-N 2 1 348.556 3.994 20 0 EHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238989 1134718868 /nfs/dbraw/zinc/71/88/68/1134718868.db2.gz LQVODKDUYAJOGC-BDTNDASRSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238989 1134718872 /nfs/dbraw/zinc/71/88/72/1134718872.db2.gz LQVODKDUYAJOGC-BDTNDASRSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238989 1134718877 /nfs/dbraw/zinc/71/88/77/1134718877.db2.gz LQVODKDUYAJOGC-BDTNDASRSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001170225395 1134723218 /nfs/dbraw/zinc/72/32/18/1134723218.db2.gz XKTYMZXLWFIPQE-OALUTQOASA-N 2 1 332.488 3.525 20 0 EHADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001170257179 1134725507 /nfs/dbraw/zinc/72/55/07/1134725507.db2.gz VJWLVOICTTZWPT-ZXFPDNNPSA-N 2 1 340.898 3.991 20 0 EHADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001170257179 1134725513 /nfs/dbraw/zinc/72/55/13/1134725513.db2.gz VJWLVOICTTZWPT-ZXFPDNNPSA-N 2 1 340.898 3.991 20 0 EHADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001170261338 1134726890 /nfs/dbraw/zinc/72/68/90/1134726890.db2.gz QPRKIFFVORJFJS-MRXNPFEDSA-N 2 1 343.902 3.702 20 0 EHADMP CCCc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC001190770746 1134748964 /nfs/dbraw/zinc/74/89/64/1134748964.db2.gz SGXTZIUAHIVUAQ-WOJBJXKFSA-N 2 1 343.559 3.630 20 0 EHADMP CCC[C@]1(C)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254719 1134825415 /nfs/dbraw/zinc/82/54/15/1134825415.db2.gz BKQVSQISXHRHPV-RTWAWAEBSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254719 1134825427 /nfs/dbraw/zinc/82/54/27/1134825427.db2.gz BKQVSQISXHRHPV-RTWAWAEBSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@]1(C)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001191254719 1134825440 /nfs/dbraw/zinc/82/54/40/1134825440.db2.gz BKQVSQISXHRHPV-RTWAWAEBSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@]1(C)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001191254719 1134825449 /nfs/dbraw/zinc/82/54/49/1134825449.db2.gz BKQVSQISXHRHPV-RTWAWAEBSA-N 2 1 330.516 3.526 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775512782 1134983299 /nfs/dbraw/zinc/98/32/99/1134983299.db2.gz MWJJASYGMSKRJB-UZLBHIALSA-N 2 1 341.499 3.724 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205616224 1135071040 /nfs/dbraw/zinc/07/10/40/1135071040.db2.gz DPOCAVGEVSXNDV-NWDGAFQWSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205636846 1135150916 /nfs/dbraw/zinc/15/09/16/1135150916.db2.gz FNAGBLWOSDSQBL-WCQYABFASA-N 2 1 343.284 3.703 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205638100 1135154238 /nfs/dbraw/zinc/15/42/38/1135154238.db2.gz LJIJJTHKBBHRQE-MNOVXSKESA-N 2 1 335.801 3.561 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205652067 1135225627 /nfs/dbraw/zinc/22/56/27/1135225627.db2.gz NVNGOSLGJDWOKT-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205652067 1135225630 /nfs/dbraw/zinc/22/56/30/1135225630.db2.gz NVNGOSLGJDWOKT-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000775635279 1135364954 /nfs/dbraw/zinc/36/49/54/1135364954.db2.gz VDJRGCDWJCSVDI-AOIWGVFYSA-N 2 1 343.515 3.956 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)ccn1 ZINC000806182081 1135406577 /nfs/dbraw/zinc/40/65/77/1135406577.db2.gz NJVUDSMELZNGCP-INIZCTEOSA-N 2 1 331.504 3.786 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195893427 1135481681 /nfs/dbraw/zinc/48/16/81/1135481681.db2.gz NJOWXSGDBSJTQF-JOCHJYFZSA-N 2 1 342.527 3.921 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195893427 1135481686 /nfs/dbraw/zinc/48/16/86/1135481686.db2.gz NJOWXSGDBSJTQF-JOCHJYFZSA-N 2 1 342.527 3.921 20 0 EHADMP CC(C)C[N@@H+](Cc1noc(C2CCCCC2)n1)CC1CC[NH+](C)CC1 ZINC001197194318 1135657825 /nfs/dbraw/zinc/65/78/25/1135657825.db2.gz LIUSUEJDZOTUBK-UHFFFAOYSA-N 2 1 348.535 3.917 20 0 EHADMP CC(C)C[N@H+](Cc1noc(C2CCCCC2)n1)CC1CC[NH+](C)CC1 ZINC001197194318 1135657826 /nfs/dbraw/zinc/65/78/26/1135657826.db2.gz LIUSUEJDZOTUBK-UHFFFAOYSA-N 2 1 348.535 3.917 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000809756006 1135886901 /nfs/dbraw/zinc/88/69/01/1135886901.db2.gz NTCKDZPLRUUORD-AWEZNQCLSA-N 2 1 344.471 3.899 20 0 EHADMP CCCn1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c(C)n1 ZINC001199926570 1135938777 /nfs/dbraw/zinc/93/87/77/1135938777.db2.gz WFDWQOQXRIDPDE-UHFFFAOYSA-N 2 1 332.536 3.736 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201559528 1136040569 /nfs/dbraw/zinc/04/05/69/1136040569.db2.gz LBEBNOBUAYRUBY-CEWLAPEOSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001201559528 1136040572 /nfs/dbraw/zinc/04/05/72/1136040572.db2.gz LBEBNOBUAYRUBY-CEWLAPEOSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001201559528 1136040576 /nfs/dbraw/zinc/04/05/76/1136040576.db2.gz LBEBNOBUAYRUBY-CEWLAPEOSA-N 2 1 336.564 3.883 20 0 EHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCC(C)C)CC3)C2)cc1 ZINC001201620124 1136048072 /nfs/dbraw/zinc/04/80/72/1136048072.db2.gz HFAXZMZPEYJVIP-UHFFFAOYSA-N 2 1 330.516 3.708 20 0 EHADMP CSCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001201696415 1136053755 /nfs/dbraw/zinc/05/37/55/1136053755.db2.gz LJZUCEPOIQYTOV-UHFFFAOYSA-N 2 1 326.937 3.989 20 0 EHADMP CSCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001201696415 1136053758 /nfs/dbraw/zinc/05/37/58/1136053758.db2.gz LJZUCEPOIQYTOV-UHFFFAOYSA-N 2 1 326.937 3.989 20 0 EHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC001202167573 1136104774 /nfs/dbraw/zinc/10/47/74/1136104774.db2.gz OVCATSNYJBQDBW-UHFFFAOYSA-N 2 1 342.527 3.852 20 0 EHADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001202176387 1136105521 /nfs/dbraw/zinc/10/55/21/1136105521.db2.gz PYRFQSVLTTYEFT-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[C@@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001202176387 1136105524 /nfs/dbraw/zinc/10/55/24/1136105524.db2.gz PYRFQSVLTTYEFT-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP Cc1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC001170639635 1136114466 /nfs/dbraw/zinc/11/44/66/1136114466.db2.gz AIDMXWHUQYEXBR-GHBBCFCZSA-N 2 1 336.483 3.726 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312493 1136194462 /nfs/dbraw/zinc/19/44/62/1136194462.db2.gz AXMFOHGFPOVGFZ-XKQJLSEDSA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312493 1136194464 /nfs/dbraw/zinc/19/44/64/1136194464.db2.gz AXMFOHGFPOVGFZ-XKQJLSEDSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312493 1136194467 /nfs/dbraw/zinc/19/44/67/1136194467.db2.gz AXMFOHGFPOVGFZ-XKQJLSEDSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000812312493 1136194469 /nfs/dbraw/zinc/19/44/69/1136194469.db2.gz AXMFOHGFPOVGFZ-XKQJLSEDSA-N 2 1 344.421 3.543 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850443090 1136259907 /nfs/dbraw/zinc/25/99/07/1136259907.db2.gz JVHPMBCKPFCDTK-KSZLIROESA-N 2 1 346.515 3.552 20 0 EHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850509771 1136273810 /nfs/dbraw/zinc/27/38/10/1136273810.db2.gz SIXGGSUNBKUNJS-JXFKEZNVSA-N 2 1 342.458 3.552 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)c2nccn2C)ccc1OC ZINC000850572680 1136289677 /nfs/dbraw/zinc/28/96/77/1136289677.db2.gz NPDOGILAVDOMRV-HZPDHXFCSA-N 2 1 344.503 3.682 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)C[C@H]1C ZINC000815057655 1136542096 /nfs/dbraw/zinc/54/20/96/1136542096.db2.gz WOAVSXFMGNTMGO-MMOPVJDHSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@H]1C ZINC000815057655 1136542100 /nfs/dbraw/zinc/54/21/00/1136542100.db2.gz WOAVSXFMGNTMGO-MMOPVJDHSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@H]1C ZINC000815057655 1136542103 /nfs/dbraw/zinc/54/21/03/1136542103.db2.gz WOAVSXFMGNTMGO-MMOPVJDHSA-N 2 1 326.484 3.678 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170810237 1136667332 /nfs/dbraw/zinc/66/73/32/1136667332.db2.gz AKWAEEDIUVUQOC-IEBWSBKVSA-N 2 1 332.488 3.525 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170836230 1136739210 /nfs/dbraw/zinc/73/92/10/1136739210.db2.gz XLSNSHLEYRUWJB-IBGZPJMESA-N 2 1 336.907 3.805 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170836230 1136739213 /nfs/dbraw/zinc/73/92/13/1136739213.db2.gz XLSNSHLEYRUWJB-IBGZPJMESA-N 2 1 336.907 3.805 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000429527028 1136751351 /nfs/dbraw/zinc/75/13/51/1136751351.db2.gz IVLQOVCNMIJPOO-SFHVURJKSA-N 2 1 332.488 3.558 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000429527028 1136751354 /nfs/dbraw/zinc/75/13/54/1136751354.db2.gz IVLQOVCNMIJPOO-SFHVURJKSA-N 2 1 332.488 3.558 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856547611 1136794253 /nfs/dbraw/zinc/79/42/53/1136794253.db2.gz BIXGHBZXIGOHCP-QFBILLFUSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856547611 1136794256 /nfs/dbraw/zinc/79/42/56/1136794256.db2.gz BIXGHBZXIGOHCP-QFBILLFUSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856547611 1136794260 /nfs/dbraw/zinc/79/42/60/1136794260.db2.gz BIXGHBZXIGOHCP-QFBILLFUSA-N 2 1 333.520 3.669 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3CCCC3)C2)ccn1 ZINC000856590821 1136797646 /nfs/dbraw/zinc/79/76/46/1136797646.db2.gz BGIGGZBEDIBYGP-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3CCCC3)C2)ccn1 ZINC000856590821 1136797649 /nfs/dbraw/zinc/79/76/49/1136797649.db2.gz BGIGGZBEDIBYGP-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP COc1c(C)cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000817939306 1136847231 /nfs/dbraw/zinc/84/72/31/1136847231.db2.gz CBMQKZKPXSGLGY-HNNXBMFYSA-N 2 1 347.890 3.883 20 0 EHADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)CCCO2 ZINC000817939596 1136847607 /nfs/dbraw/zinc/84/76/07/1136847607.db2.gz FLWICNYADACLPH-HXUWFJFHSA-N 2 1 339.483 3.627 20 0 EHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817958450 1136851631 /nfs/dbraw/zinc/85/16/31/1136851631.db2.gz JTOXUTBGJBTJPW-HNAYVOBHSA-N 2 1 345.487 3.592 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2nc(Br)cs2)cc1 ZINC000817964203 1136852553 /nfs/dbraw/zinc/85/25/53/1136852553.db2.gz ZIOMIQFGVHZCJO-ZJUUUORDSA-N 2 1 340.290 3.776 20 0 EHADMP CCCCn1nc(C)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1Cl ZINC000818431399 1136877533 /nfs/dbraw/zinc/87/75/33/1136877533.db2.gz LALUFJUZDMITPN-AWEZNQCLSA-N 2 1 338.927 3.609 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982893 1136896588 /nfs/dbraw/zinc/89/65/88/1136896588.db2.gz VBSORODYPHUOEE-IRLDBZIGSA-N 2 1 338.495 3.530 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000818970072 1136900254 /nfs/dbraw/zinc/90/02/54/1136900254.db2.gz LJZPABFBTCUUNA-IBGZPJMESA-N 2 1 332.875 3.615 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819077956 1136911401 /nfs/dbraw/zinc/91/14/01/1136911401.db2.gz FNCJSFREVXYIIE-IIBYNOLFSA-N 2 1 342.458 3.674 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000339009971 1136928215 /nfs/dbraw/zinc/92/82/15/1136928215.db2.gz MESJCSNFTPBSIN-LJQANCHMSA-N 2 1 347.547 3.700 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000858166150 1136945539 /nfs/dbraw/zinc/94/55/39/1136945539.db2.gz AZHINBRIJFMVKA-WMZOPIPTSA-N 2 1 343.515 3.727 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000173405691 1137029631 /nfs/dbraw/zinc/02/96/31/1137029631.db2.gz VRXFKEOSYCJMCZ-WMLDXEAASA-N 2 1 344.421 3.593 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1cc(F)ccc1F ZINC000859995338 1137040068 /nfs/dbraw/zinc/04/00/68/1137040068.db2.gz PLUHLEASODEKQV-FQEVSTJZSA-N 2 1 348.437 3.582 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000859994812 1137040072 /nfs/dbraw/zinc/04/00/72/1137040072.db2.gz DPMGSWDCFTWNHN-HXUWFJFHSA-N 2 1 348.437 3.582 20 0 EHADMP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850411 1137116147 /nfs/dbraw/zinc/11/61/47/1137116147.db2.gz BTDRAZDFAPGFIP-VQIMIIECSA-N 2 1 342.483 3.597 20 0 EHADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171111530 1137204915 /nfs/dbraw/zinc/20/49/15/1137204915.db2.gz SNWGKWWTXINHGW-LJQANCHMSA-N 2 1 341.886 3.542 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144186 1137243040 /nfs/dbraw/zinc/24/30/40/1137243040.db2.gz NVJVSYCXSIOQHK-LSDHHAIUSA-N 2 1 327.299 3.925 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510012 1137290115 /nfs/dbraw/zinc/29/01/15/1137290115.db2.gz RCIQZYSRWAMDSE-HKUYNNGSSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246571293 1137301755 /nfs/dbraw/zinc/30/17/55/1137301755.db2.gz BAUVMNHIVFVRNR-YOEHRIQHSA-N 2 1 339.321 3.831 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C3([C@H]4CCCCO4)CCC3)CC2)cc1 ZINC000865856330 1137316960 /nfs/dbraw/zinc/31/69/60/1137316960.db2.gz GIQFXZIYECJKLM-OAQYLSRUSA-N 2 1 342.527 3.775 20 0 EHADMP C[C@@]1(C[NH2+]Cc2cc3cnccc3o2)CC[N@H+](Cc2ccccc2)C1 ZINC000845967956 1137322066 /nfs/dbraw/zinc/32/20/66/1137322066.db2.gz FQKCSHBAMPAEIM-NRFANRHFSA-N 2 1 335.451 3.830 20 0 EHADMP C[C@@]1(C[NH2+]Cc2cc3cnccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000845967956 1137322068 /nfs/dbraw/zinc/32/20/68/1137322068.db2.gz FQKCSHBAMPAEIM-NRFANRHFSA-N 2 1 335.451 3.830 20 0 EHADMP CC[N@@H+](CCC[NH2+]CC1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000846022684 1137326702 /nfs/dbraw/zinc/32/67/02/1137326702.db2.gz ODMHOUZMVNOMIE-UHFFFAOYSA-N 2 1 338.536 3.554 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144690483 1137327578 /nfs/dbraw/zinc/32/75/78/1137327578.db2.gz NLICRHNTCDCWMK-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000866256630 1137339985 /nfs/dbraw/zinc/33/99/85/1137339985.db2.gz AUKXCIYYBSBITK-DENIHFKCSA-N 2 1 337.511 3.557 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000846218305 1137342169 /nfs/dbraw/zinc/34/21/69/1137342169.db2.gz PYOKVZATTLNOJY-QGZVFWFLSA-N 2 1 328.460 3.783 20 0 EHADMP Clc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000866527503 1137361209 /nfs/dbraw/zinc/36/12/09/1137361209.db2.gz JGOZPZRTAWQRPC-LJQANCHMSA-N 2 1 348.918 3.605 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)c2cc1C(C)C ZINC000846708610 1137363223 /nfs/dbraw/zinc/36/32/23/1137363223.db2.gz SBCFKWMJCXFJNL-GOEBONIOSA-N 2 1 328.456 3.536 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)c2cc1C(C)C ZINC000846708610 1137363224 /nfs/dbraw/zinc/36/32/24/1137363224.db2.gz SBCFKWMJCXFJNL-GOEBONIOSA-N 2 1 328.456 3.536 20 0 EHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])co1 ZINC000866668505 1137373146 /nfs/dbraw/zinc/37/31/46/1137373146.db2.gz FWIMTXCMVIPPES-CRAIPNDOSA-N 2 1 343.471 3.690 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000866705408 1137374755 /nfs/dbraw/zinc/37/47/55/1137374755.db2.gz ZIIWXMFJDMBAGL-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000866705408 1137374757 /nfs/dbraw/zinc/37/47/57/1137374757.db2.gz ZIIWXMFJDMBAGL-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP Cc1ccncc1CCC[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000348139755 1137448118 /nfs/dbraw/zinc/44/81/18/1137448118.db2.gz JJSSRJVPEPZSOV-UHFFFAOYSA-N 2 1 325.500 3.953 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000773078118 1137463768 /nfs/dbraw/zinc/46/37/68/1137463768.db2.gz VCZQUHQYONEVNK-MAUKXSAKSA-N 2 1 329.513 3.637 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171412031 1137476084 /nfs/dbraw/zinc/47/60/84/1137476084.db2.gz REWVPMRPIGILMO-LPHOPBHVSA-N 2 1 326.459 3.780 20 0 EHADMP C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccn1 ZINC000716710581 1137488505 /nfs/dbraw/zinc/48/85/05/1137488505.db2.gz FJUBYKLKYBLNRB-HZEGPAAWSA-N 2 1 335.495 3.828 20 0 EHADMP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC001171467170 1137492404 /nfs/dbraw/zinc/49/24/04/1137492404.db2.gz QFIKHOXTLNKSCW-ROUUACIJSA-N 2 1 334.454 3.676 20 0 EHADMP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC001171467170 1137492405 /nfs/dbraw/zinc/49/24/05/1137492405.db2.gz QFIKHOXTLNKSCW-ROUUACIJSA-N 2 1 334.454 3.676 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506372 1137494972 /nfs/dbraw/zinc/49/49/72/1137494972.db2.gz VRDBTCWFYCXKHO-AWEZNQCLSA-N 2 1 328.422 3.673 20 0 EHADMP Cc1cccc2c1CC[C@H](N(c1[nH+]cccc1C)C1CC[NH2+]CC1)C2 ZINC001171577659 1137499128 /nfs/dbraw/zinc/49/91/28/1137499128.db2.gz HIRIYURNBAMEPT-FQEVSTJZSA-N 2 1 335.495 3.814 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1(C)C ZINC001171635995 1137504067 /nfs/dbraw/zinc/50/40/67/1137504067.db2.gz BSBNDIVIQFGRES-GOSISDBHSA-N 2 1 330.516 3.929 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1(C)C ZINC001171636990 1137504342 /nfs/dbraw/zinc/50/43/42/1137504342.db2.gz LORLTMHQBKKEJA-GOSISDBHSA-N 3 1 335.580 3.978 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CCCC[C@@H]2CC[NH+]2CCCC2)CC1(C)C ZINC001171636990 1137504343 /nfs/dbraw/zinc/50/43/43/1137504343.db2.gz LORLTMHQBKKEJA-GOSISDBHSA-N 2 1 335.580 3.978 20 0 EHADMP C[C@@H]1C[C@@H](n2nc(-c3ccccc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724800 1137506075 /nfs/dbraw/zinc/50/60/75/1137506075.db2.gz BHYXZOSOHRJEED-DYESRHJHSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171739587 1137511027 /nfs/dbraw/zinc/51/10/27/1137511027.db2.gz QFXLGJQVXWPFKY-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739587 1137511028 /nfs/dbraw/zinc/51/10/28/1137511028.db2.gz QFXLGJQVXWPFKY-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739587 1137511030 /nfs/dbraw/zinc/51/10/30/1137511030.db2.gz QFXLGJQVXWPFKY-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171791012 1137512557 /nfs/dbraw/zinc/51/25/57/1137512557.db2.gz XNJKSSCDLUEDQT-GTCCEBARSA-N 2 1 338.470 3.793 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171791012 1137512559 /nfs/dbraw/zinc/51/25/59/1137512559.db2.gz XNJKSSCDLUEDQT-GTCCEBARSA-N 2 1 338.470 3.793 20 0 EHADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974985 1137524891 /nfs/dbraw/zinc/52/48/91/1137524891.db2.gz BNHNJOJZJRMBRE-NJYVYQBISA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974985 1137524892 /nfs/dbraw/zinc/52/48/92/1137524892.db2.gz BNHNJOJZJRMBRE-NJYVYQBISA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171975751 1137525120 /nfs/dbraw/zinc/52/51/20/1137525120.db2.gz FHKJMFLPMKEOII-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171975751 1137525121 /nfs/dbraw/zinc/52/51/21/1137525121.db2.gz FHKJMFLPMKEOII-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171975751 1137525122 /nfs/dbraw/zinc/52/51/22/1137525122.db2.gz FHKJMFLPMKEOII-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@](F)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977995 1137525795 /nfs/dbraw/zinc/52/57/95/1137525795.db2.gz VPTSVDCSQXWWHL-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977995 1137525797 /nfs/dbraw/zinc/52/57/97/1137525797.db2.gz VPTSVDCSQXWWHL-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977995 1137525798 /nfs/dbraw/zinc/52/57/98/1137525798.db2.gz VPTSVDCSQXWWHL-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171982734 1137526357 /nfs/dbraw/zinc/52/63/57/1137526357.db2.gz SRHIJGNSSUWVDO-UFYCRDLUSA-N 2 1 330.516 3.665 20 0 EHADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171982734 1137526359 /nfs/dbraw/zinc/52/63/59/1137526359.db2.gz SRHIJGNSSUWVDO-UFYCRDLUSA-N 2 1 330.516 3.665 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982734 1137526361 /nfs/dbraw/zinc/52/63/61/1137526361.db2.gz SRHIJGNSSUWVDO-UFYCRDLUSA-N 2 1 330.516 3.665 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982734 1137526362 /nfs/dbraw/zinc/52/63/62/1137526362.db2.gz SRHIJGNSSUWVDO-UFYCRDLUSA-N 2 1 330.516 3.665 20 0 EHADMP CC1(C)C[C@@H](N2CCC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171984244 1137527025 /nfs/dbraw/zinc/52/70/25/1137527025.db2.gz JLSZAOGRNFLOFN-SFTDATJTSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984244 1137527026 /nfs/dbraw/zinc/52/70/26/1137527026.db2.gz JLSZAOGRNFLOFN-SFTDATJTSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CCC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984244 1137527027 /nfs/dbraw/zinc/52/70/27/1137527027.db2.gz JLSZAOGRNFLOFN-SFTDATJTSA-N 2 1 341.543 3.600 20 0 EHADMP CC[NH+](CC)[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988492 1137527653 /nfs/dbraw/zinc/52/76/53/1137527653.db2.gz RVTQEOJEBKKDKR-RTWAWAEBSA-N 2 1 343.559 3.846 20 0 EHADMP C[N@H+]1CCC[C@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072402 1137530000 /nfs/dbraw/zinc/53/00/00/1137530000.db2.gz MALLVYIIIYQHJI-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072402 1137530002 /nfs/dbraw/zinc/53/00/02/1137530002.db2.gz MALLVYIIIYQHJI-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072402 1137530003 /nfs/dbraw/zinc/53/00/03/1137530003.db2.gz MALLVYIIIYQHJI-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@]1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001172080406 1137530851 /nfs/dbraw/zinc/53/08/51/1137530851.db2.gz VMLBFQLRCNPUFF-MXEMCNAFSA-N 2 1 328.500 3.731 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081281 1137531548 /nfs/dbraw/zinc/53/15/48/1137531548.db2.gz DZRGQRZESWHGQN-IVAOSVALSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081281 1137531550 /nfs/dbraw/zinc/53/15/50/1137531550.db2.gz DZRGQRZESWHGQN-IVAOSVALSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172081281 1137531551 /nfs/dbraw/zinc/53/15/51/1137531551.db2.gz DZRGQRZESWHGQN-IVAOSVALSA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172081281 1137531553 /nfs/dbraw/zinc/53/15/53/1137531553.db2.gz DZRGQRZESWHGQN-IVAOSVALSA-N 2 1 342.527 3.807 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172101888 1137532467 /nfs/dbraw/zinc/53/24/67/1137532467.db2.gz IBLXMCQETCPONZ-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172101888 1137532468 /nfs/dbraw/zinc/53/24/68/1137532468.db2.gz IBLXMCQETCPONZ-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172101888 1137532469 /nfs/dbraw/zinc/53/24/69/1137532469.db2.gz IBLXMCQETCPONZ-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001172098847 1137532632 /nfs/dbraw/zinc/53/26/32/1137532632.db2.gz GUDBEPCKZKRLEE-QDMKHBRRSA-N 2 1 346.368 3.829 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001172098847 1137532634 /nfs/dbraw/zinc/53/26/34/1137532634.db2.gz GUDBEPCKZKRLEE-QDMKHBRRSA-N 2 1 346.368 3.829 20 0 EHADMP FC(F)(F)OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066355 1137533834 /nfs/dbraw/zinc/53/38/34/1137533834.db2.gz WBJYZIFUBOGEFX-BJWYYQGGSA-N 2 1 342.405 3.698 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[NH2+]CC3)C2 ZINC001172127279 1137535244 /nfs/dbraw/zinc/53/52/44/1137535244.db2.gz HYCYNOLQQIAZMM-MUJYYYPQSA-N 2 1 327.447 3.614 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172106197 1137536700 /nfs/dbraw/zinc/53/67/00/1137536700.db2.gz NELAIZXDPGIZKH-ZKTXZKFHSA-N 3 1 333.564 3.636 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172106197 1137536702 /nfs/dbraw/zinc/53/67/02/1137536702.db2.gz NELAIZXDPGIZKH-ZKTXZKFHSA-N 2 1 333.564 3.636 20 0 EHADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106488 1137536894 /nfs/dbraw/zinc/53/68/94/1137536894.db2.gz PFOOAALEAFORRJ-BJWYYQGGSA-N 2 1 341.499 3.647 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120093 1137538076 /nfs/dbraw/zinc/53/80/76/1137538076.db2.gz CGSMFBOIUABBLV-FCGDIQPGSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120093 1137538078 /nfs/dbraw/zinc/53/80/78/1137538078.db2.gz CGSMFBOIUABBLV-FCGDIQPGSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120093 1137538080 /nfs/dbraw/zinc/53/80/80/1137538080.db2.gz CGSMFBOIUABBLV-FCGDIQPGSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122421 1137538728 /nfs/dbraw/zinc/53/87/28/1137538728.db2.gz QBHZZCCCBSVIQT-OOSNJVJTSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122421 1137538730 /nfs/dbraw/zinc/53/87/30/1137538730.db2.gz QBHZZCCCBSVIQT-OOSNJVJTSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172122421 1137538731 /nfs/dbraw/zinc/53/87/31/1137538731.db2.gz QBHZZCCCBSVIQT-OOSNJVJTSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172122421 1137538733 /nfs/dbraw/zinc/53/87/33/1137538733.db2.gz QBHZZCCCBSVIQT-OOSNJVJTSA-N 2 1 344.499 3.554 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001172121728 1137539082 /nfs/dbraw/zinc/53/90/82/1137539082.db2.gz LJUKRXYMRLQAIE-ACDBMABISA-N 2 1 346.490 3.822 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001172121728 1137539084 /nfs/dbraw/zinc/53/90/84/1137539084.db2.gz LJUKRXYMRLQAIE-ACDBMABISA-N 2 1 346.490 3.822 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC001172293780 1137548622 /nfs/dbraw/zinc/54/86/22/1137548622.db2.gz RSFPVTBBTPERCE-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293780 1137548623 /nfs/dbraw/zinc/54/86/23/1137548623.db2.gz RSFPVTBBTPERCE-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293780 1137548625 /nfs/dbraw/zinc/54/86/25/1137548625.db2.gz RSFPVTBBTPERCE-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000872023348 1137565601 /nfs/dbraw/zinc/56/56/01/1137565601.db2.gz GEEVXBNYBAEILM-AWEZNQCLSA-N 2 1 326.366 3.786 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCCOC1 ZINC000872040247 1137567003 /nfs/dbraw/zinc/56/70/03/1137567003.db2.gz WUCTZMACPUWBCU-DWRORGKVSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCCOC1 ZINC000872040247 1137567004 /nfs/dbraw/zinc/56/70/04/1137567004.db2.gz WUCTZMACPUWBCU-DWRORGKVSA-N 2 1 336.545 3.926 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)C[C@H]1C(F)(F)F ZINC000872149216 1137573962 /nfs/dbraw/zinc/57/39/62/1137573962.db2.gz MJJWMURJBYLLJI-SJLPKXTDSA-N 2 1 336.401 3.841 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780209 1137661175 /nfs/dbraw/zinc/66/11/75/1137661175.db2.gz FGWNSFFPCJEIOY-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780209 1137661176 /nfs/dbraw/zinc/66/11/76/1137661176.db2.gz FGWNSFFPCJEIOY-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780209 1137661177 /nfs/dbraw/zinc/66/11/77/1137661177.db2.gz FGWNSFFPCJEIOY-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780209 1137661178 /nfs/dbraw/zinc/66/11/78/1137661178.db2.gz FGWNSFFPCJEIOY-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876935672 1137665764 /nfs/dbraw/zinc/66/57/64/1137665764.db2.gz FRJFYOUVFQATSL-GEYWLOKFSA-N 2 1 332.469 3.667 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000877472059 1137677423 /nfs/dbraw/zinc/67/74/23/1137677423.db2.gz IULSCMVKIYFADX-IHPCNDPISA-N 2 1 330.516 3.740 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)(C)O ZINC000877472059 1137677424 /nfs/dbraw/zinc/67/74/24/1137677424.db2.gz IULSCMVKIYFADX-IHPCNDPISA-N 2 1 330.516 3.740 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC000877528761 1137679773 /nfs/dbraw/zinc/67/97/73/1137679773.db2.gz JUYPIIKZDFHREO-ZDUSSCGKSA-N 2 1 328.287 3.552 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC000877528761 1137679774 /nfs/dbraw/zinc/67/97/74/1137679774.db2.gz JUYPIIKZDFHREO-ZDUSSCGKSA-N 2 1 328.287 3.552 20 0 EHADMP Brc1ccccc1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000878252723 1137708708 /nfs/dbraw/zinc/70/87/08/1137708708.db2.gz SRZCDWRMNIFSGY-AWEZNQCLSA-N 2 1 334.261 3.594 20 0 EHADMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878287950 1137710000 /nfs/dbraw/zinc/71/00/00/1137710000.db2.gz KBWVTKWGRZCUFO-VQTJNVASSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878287950 1137710001 /nfs/dbraw/zinc/71/00/01/1137710001.db2.gz KBWVTKWGRZCUFO-VQTJNVASSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878287950 1137710002 /nfs/dbraw/zinc/71/00/02/1137710002.db2.gz KBWVTKWGRZCUFO-VQTJNVASSA-N 2 1 327.472 3.824 20 0 EHADMP c1ccc([C@H]2CC[C@@H](C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)O2)cc1 ZINC000878746702 1137726948 /nfs/dbraw/zinc/72/69/48/1137726948.db2.gz DETCFBFGXXBZMA-LEWJYISDSA-N 2 1 337.467 3.514 20 0 EHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578641 1137751573 /nfs/dbraw/zinc/75/15/73/1137751573.db2.gz UXSVJVKYIOVSQA-FUHWJXTLSA-N 2 1 345.487 3.560 20 0 EHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578641 1137751574 /nfs/dbraw/zinc/75/15/74/1137751574.db2.gz UXSVJVKYIOVSQA-FUHWJXTLSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578641 1137751575 /nfs/dbraw/zinc/75/15/75/1137751575.db2.gz UXSVJVKYIOVSQA-FUHWJXTLSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000879578641 1137751576 /nfs/dbraw/zinc/75/15/76/1137751576.db2.gz UXSVJVKYIOVSQA-FUHWJXTLSA-N 2 1 345.487 3.560 20 0 EHADMP COc1ccccc1[C@H]1CCC[N@@H+](CCCn2ccnc2C)CC1 ZINC000879732050 1137757042 /nfs/dbraw/zinc/75/70/42/1137757042.db2.gz PRCZSVCWMXBSHC-SFHVURJKSA-N 2 1 327.472 3.860 20 0 EHADMP COc1ccccc1[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000879732050 1137757043 /nfs/dbraw/zinc/75/70/43/1137757043.db2.gz PRCZSVCWMXBSHC-SFHVURJKSA-N 2 1 327.472 3.860 20 0 EHADMP COc1ccccc1[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000879732050 1137757044 /nfs/dbraw/zinc/75/70/44/1137757044.db2.gz PRCZSVCWMXBSHC-SFHVURJKSA-N 2 1 327.472 3.860 20 0 EHADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000348367270 1138052702 /nfs/dbraw/zinc/05/27/02/1138052702.db2.gz CSSKCQIFMNFUTI-XUVXKRRUSA-N 2 1 330.516 3.558 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000886504958 1138085157 /nfs/dbraw/zinc/08/51/57/1138085157.db2.gz ATSPJPYDETYPHU-IBGZPJMESA-N 2 1 339.483 3.579 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886614525 1138102175 /nfs/dbraw/zinc/10/21/75/1138102175.db2.gz ZUNBZRZOLMOFDV-FHWLQOOXSA-N 2 1 339.483 3.688 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886614525 1138102177 /nfs/dbraw/zinc/10/21/77/1138102177.db2.gz ZUNBZRZOLMOFDV-FHWLQOOXSA-N 2 1 339.483 3.688 20 0 EHADMP Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000886857854 1138159052 /nfs/dbraw/zinc/15/90/52/1138159052.db2.gz CPCFFRLJSKEEMJ-INIZCTEOSA-N 2 1 341.524 3.552 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716285 1138213212 /nfs/dbraw/zinc/21/32/12/1138213212.db2.gz VKBGVECUYBCFQX-JKIFEVAISA-N 2 1 344.421 3.584 20 0 EHADMP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000093089089 1138234296 /nfs/dbraw/zinc/23/42/96/1138234296.db2.gz WUSIZDZVTGBOKG-UHFFFAOYSA-N 2 1 332.879 3.504 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1nc2c(s1)CCCC2 ZINC000093371661 1138236980 /nfs/dbraw/zinc/23/69/80/1138236980.db2.gz FXAWAZLSFLQFRL-CQSZACIVSA-N 2 1 329.513 3.934 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093692736 1138239670 /nfs/dbraw/zinc/23/96/70/1138239670.db2.gz VIOGYJHNZRAMNO-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093692736 1138239671 /nfs/dbraw/zinc/23/96/71/1138239671.db2.gz VIOGYJHNZRAMNO-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742190 1138240293 /nfs/dbraw/zinc/24/02/93/1138240293.db2.gz WOGQUGAXEGPSFI-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742190 1138240295 /nfs/dbraw/zinc/24/02/95/1138240295.db2.gz WOGQUGAXEGPSFI-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742190 1138240299 /nfs/dbraw/zinc/24/02/99/1138240299.db2.gz WOGQUGAXEGPSFI-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742190 1138240300 /nfs/dbraw/zinc/24/03/00/1138240300.db2.gz WOGQUGAXEGPSFI-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123329577 1138269452 /nfs/dbraw/zinc/26/94/52/1138269452.db2.gz YIEQXGFQVLSSHE-WMZOPIPTSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123329577 1138269454 /nfs/dbraw/zinc/26/94/54/1138269454.db2.gz YIEQXGFQVLSSHE-WMZOPIPTSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123329577 1138269455 /nfs/dbraw/zinc/26/94/55/1138269455.db2.gz YIEQXGFQVLSSHE-WMZOPIPTSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123329577 1138269456 /nfs/dbraw/zinc/26/94/56/1138269456.db2.gz YIEQXGFQVLSSHE-WMZOPIPTSA-N 2 1 339.483 3.583 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccco2)CC1 ZINC000127269517 1138351499 /nfs/dbraw/zinc/35/14/99/1138351499.db2.gz FMXWTZMCFIZTKH-HOTGVXAUSA-N 2 1 345.462 3.972 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000130473311 1138457361 /nfs/dbraw/zinc/45/73/61/1138457361.db2.gz RTQUSEQQMSEEKZ-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000130473311 1138457362 /nfs/dbraw/zinc/45/73/62/1138457362.db2.gz RTQUSEQQMSEEKZ-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc2ccccc21 ZINC000337267240 1138513854 /nfs/dbraw/zinc/51/38/54/1138513854.db2.gz IOWQTQDDXVJKSX-UHFFFAOYSA-N 2 1 339.483 3.586 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000133152549 1138623343 /nfs/dbraw/zinc/62/33/43/1138623343.db2.gz DNOPYPLWLWBROI-JKSUJKDBSA-N 2 1 328.456 3.584 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCCC2)cc1 ZINC000338010533 1138723382 /nfs/dbraw/zinc/72/33/82/1138723382.db2.gz YVWDBQLNTLDMMR-BEFAXECRSA-N 2 1 327.472 3.773 20 0 EHADMP Clc1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000265501411 1138931694 /nfs/dbraw/zinc/93/16/94/1138931694.db2.gz MYJHPOHWJPTBKI-AWEZNQCLSA-N 2 1 345.874 3.801 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749219 1139149604 /nfs/dbraw/zinc/14/96/04/1139149604.db2.gz JWQIPWHVEYFMNK-VCBZYWHSSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749219 1139149605 /nfs/dbraw/zinc/14/96/05/1139149605.db2.gz JWQIPWHVEYFMNK-VCBZYWHSSA-N 2 1 343.446 3.831 20 0 EHADMP COCc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000174312826 1139413493 /nfs/dbraw/zinc/41/34/93/1139413493.db2.gz QNNIAXLXUUJJIU-UHFFFAOYSA-N 2 1 326.484 3.963 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517174 1139426102 /nfs/dbraw/zinc/42/61/02/1139426102.db2.gz XLHIZRXYDICOBT-AEFFLSMTSA-N 2 1 334.467 3.598 20 0 EHADMP c1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000177583343 1139628120 /nfs/dbraw/zinc/62/81/20/1139628120.db2.gz AJMDPTTZIAGXLB-UHFFFAOYSA-N 2 1 326.484 3.849 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000177954410 1139658320 /nfs/dbraw/zinc/65/83/20/1139658320.db2.gz KFBOKTHFIUWGNK-IFXJQAMLSA-N 2 1 335.455 3.642 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000179697448 1139775834 /nfs/dbraw/zinc/77/58/34/1139775834.db2.gz KSVSZYPVJFFTCR-XLIONFOSSA-N 2 1 339.483 3.796 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000181737089 1139927901 /nfs/dbraw/zinc/92/79/01/1139927901.db2.gz DIFQQFUVHJOKEI-SESVDKBCSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000181737089 1139927904 /nfs/dbraw/zinc/92/79/04/1139927904.db2.gz DIFQQFUVHJOKEI-SESVDKBCSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737089 1139927908 /nfs/dbraw/zinc/92/79/08/1139927908.db2.gz DIFQQFUVHJOKEI-SESVDKBCSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737089 1139927912 /nfs/dbraw/zinc/92/79/12/1139927912.db2.gz DIFQQFUVHJOKEI-SESVDKBCSA-N 2 1 346.515 3.515 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182224942 1139958421 /nfs/dbraw/zinc/95/84/21/1139958421.db2.gz SHWBLCZHTZYMCX-JTDSTZFVSA-N 2 1 343.515 3.949 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000187705356 1140267996 /nfs/dbraw/zinc/26/79/96/1140267996.db2.gz JQQRLTXGYJLNEP-OAQYLSRUSA-N 2 1 342.458 3.899 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000187705334 1140268176 /nfs/dbraw/zinc/26/81/76/1140268176.db2.gz JQQRLTXGYJLNEP-NRFANRHFSA-N 2 1 342.458 3.899 20 0 EHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000191458027 1140465091 /nfs/dbraw/zinc/46/50/91/1140465091.db2.gz BUJWXPBTMYDTBV-NRFANRHFSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccnn1C ZINC000192676047 1140543286 /nfs/dbraw/zinc/54/32/86/1140543286.db2.gz YEQZCYAAISYUTO-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2occc2C)CC1 ZINC000266211484 1140656372 /nfs/dbraw/zinc/65/63/72/1140656372.db2.gz OPILZEQTKIBHDA-MRXNPFEDSA-N 2 1 345.462 3.720 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000268733868 1140979664 /nfs/dbraw/zinc/97/96/64/1140979664.db2.gz AYTIFSWHSKWMMP-CQSZACIVSA-N 2 1 332.517 3.894 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000268733868 1140979666 /nfs/dbraw/zinc/97/96/66/1140979666.db2.gz AYTIFSWHSKWMMP-CQSZACIVSA-N 2 1 332.517 3.894 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)cc1 ZINC000268755293 1140983620 /nfs/dbraw/zinc/98/36/20/1140983620.db2.gz JBIFFRKIUCXRGD-MRXNPFEDSA-N 2 1 334.508 3.597 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000268755293 1140983624 /nfs/dbraw/zinc/98/36/24/1140983624.db2.gz JBIFFRKIUCXRGD-MRXNPFEDSA-N 2 1 334.508 3.597 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000268755293 1140983633 /nfs/dbraw/zinc/98/36/33/1140983633.db2.gz JBIFFRKIUCXRGD-MRXNPFEDSA-N 2 1 334.508 3.597 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000268841899 1141005702 /nfs/dbraw/zinc/00/57/02/1141005702.db2.gz NUYADFDOGQISPM-IRXDYDNUSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000268841899 1141005711 /nfs/dbraw/zinc/00/57/11/1141005711.db2.gz NUYADFDOGQISPM-IRXDYDNUSA-N 2 1 342.458 3.897 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000268889150 1141019393 /nfs/dbraw/zinc/01/93/93/1141019393.db2.gz NLEAXBPHINPPMX-HRAATJIYSA-N 2 1 335.451 3.739 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268934926 1141030366 /nfs/dbraw/zinc/03/03/66/1141030366.db2.gz RJTSPMWJJPGWNW-SYYKKAFVSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1 ZINC000269027637 1141050402 /nfs/dbraw/zinc/05/04/02/1141050402.db2.gz QWNQVQVFDNQGSS-OLZOCXBDSA-N 2 1 341.377 3.799 20 0 EHADMP Fc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC(F)F ZINC000270028104 1141169834 /nfs/dbraw/zinc/16/98/34/1141169834.db2.gz XUGTUHHLCBAOQW-UHFFFAOYSA-N 2 1 328.378 3.534 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000270820784 1141274791 /nfs/dbraw/zinc/27/47/91/1141274791.db2.gz BEKZWOZUMSLIRY-LJQANCHMSA-N 2 1 337.471 3.959 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000270820784 1141274796 /nfs/dbraw/zinc/27/47/96/1141274796.db2.gz BEKZWOZUMSLIRY-LJQANCHMSA-N 2 1 337.471 3.959 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000271023209 1141295176 /nfs/dbraw/zinc/29/51/76/1141295176.db2.gz CALFEPFFDHSHKX-UHFFFAOYSA-N 2 1 330.451 3.520 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000271023209 1141295179 /nfs/dbraw/zinc/29/51/79/1141295179.db2.gz CALFEPFFDHSHKX-UHFFFAOYSA-N 2 1 330.451 3.520 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000271123887 1141310171 /nfs/dbraw/zinc/31/01/71/1141310171.db2.gz KAYPGYYDAKFAQQ-CHWSQXEVSA-N 2 1 325.378 3.992 20 0 EHADMP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[N@H+]3CCCC[C@H]3C)c(C)n2n1 ZINC000271375378 1141353373 /nfs/dbraw/zinc/35/33/73/1141353373.db2.gz HQOOEIQAXFOBFA-IAGOWNOFSA-N 2 1 343.519 3.651 20 0 EHADMP CC[N@@H+](Cc1ccnn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348962078 1141616059 /nfs/dbraw/zinc/61/60/59/1141616059.db2.gz GSMUUADEQXNQQE-UHFFFAOYSA-N 2 1 348.494 3.956 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000020189309 212109565 /nfs/dbraw/zinc/10/95/65/212109565.db2.gz JEHDGWCAZUNKTF-UHFFFAOYSA-N 2 1 329.257 3.551 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000037649421 525483985 /nfs/dbraw/zinc/48/39/85/525483985.db2.gz SPXKQYAJYFOEQE-NEPJUHHUSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416609 1032060357 /nfs/dbraw/zinc/06/03/57/1032060357.db2.gz OPDMPUOVVFGATR-JKIFEVAISA-N 2 1 337.305 3.974 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416609 1032060368 /nfs/dbraw/zinc/06/03/68/1032060368.db2.gz OPDMPUOVVFGATR-JKIFEVAISA-N 2 1 337.305 3.974 20 0 EHADMP CC(C)c1cnc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474225 1032071943 /nfs/dbraw/zinc/07/19/43/1032071943.db2.gz KOTLQOMODGYAGE-BEFAXECRSA-N 2 1 343.496 3.612 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000090252150 1023256278 /nfs/dbraw/zinc/25/62/78/1023256278.db2.gz FYVBFFLZAXKPRA-SNVBAGLBSA-N 2 1 331.685 3.662 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423441208 1028429008 /nfs/dbraw/zinc/42/90/08/1028429008.db2.gz BAQWHOHLQSLVPE-WCBMZHEXSA-N 2 1 339.199 3.856 20 0 EHADMP CO[C@@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000339407508 1014369531 /nfs/dbraw/zinc/36/95/31/1014369531.db2.gz ODSZIUYICJXACI-HUUCEWRRSA-N 2 1 345.314 3.754 20 0 EHADMP CO[C@@H]1CC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000339407508 1014369544 /nfs/dbraw/zinc/36/95/44/1014369544.db2.gz ODSZIUYICJXACI-HUUCEWRRSA-N 2 1 345.314 3.754 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000536668120 1032091065 /nfs/dbraw/zinc/09/10/65/1032091065.db2.gz ZBTGLCZBUUQIAU-ZWKOTPCHSA-N 2 1 329.532 3.695 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000643548769 1014518272 /nfs/dbraw/zinc/51/82/72/1014518272.db2.gz UUYITNZGEWDUHG-BBRMVZONSA-N 2 1 339.405 3.742 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876072 1015562675 /nfs/dbraw/zinc/56/26/75/1015562675.db2.gz GPGNVOZQRRWAKA-ICSRJNTNSA-N 2 1 332.532 3.675 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000155122353 1016178877 /nfs/dbraw/zinc/17/88/77/1016178877.db2.gz VIAZZXNNYIBKGW-RCOXNQKVSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000155122353 1016178882 /nfs/dbraw/zinc/17/88/82/1016178882.db2.gz VIAZZXNNYIBKGW-RCOXNQKVSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CCN1C1CC[NH+](C)CC1 ZINC000343746041 1032146544 /nfs/dbraw/zinc/14/65/44/1032146544.db2.gz WOSOXMUFKOCZPT-INIZCTEOSA-N 2 1 343.540 3.502 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340176451 1016592919 /nfs/dbraw/zinc/59/29/19/1016592919.db2.gz FFGALXRBFZWYBO-SFHVURJKSA-N 2 1 329.532 3.632 20 0 EHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000340182793 1016630391 /nfs/dbraw/zinc/63/03/91/1016630391.db2.gz KMUVZMDEJDPBRF-FQEVSTJZSA-N 2 1 328.500 3.721 20 0 EHADMP C[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828559 1016965918 /nfs/dbraw/zinc/96/59/18/1016965918.db2.gz ZXGURLNUOHJKTJ-SJBKTWHCSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828559 1016965933 /nfs/dbraw/zinc/96/59/33/1016965933.db2.gz ZXGURLNUOHJKTJ-SJBKTWHCSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828559 1016965944 /nfs/dbraw/zinc/96/59/44/1016965944.db2.gz ZXGURLNUOHJKTJ-SJBKTWHCSA-N 3 1 343.559 3.609 20 0 EHADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccccc2C)CC1 ZINC000449107114 1032186632 /nfs/dbraw/zinc/18/66/32/1032186632.db2.gz OIMGTHQWRHNVSN-UHFFFAOYSA-N 2 1 338.495 3.862 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449108801 1032190293 /nfs/dbraw/zinc/19/02/93/1032190293.db2.gz VTNGMHBBYUNTQL-VQIMIIECSA-N 2 1 336.907 3.677 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000449091865 1032198194 /nfs/dbraw/zinc/19/81/94/1032198194.db2.gz RAQDFSUUUPYVJP-UHFFFAOYSA-N 2 1 345.487 3.913 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449168730 1032262489 /nfs/dbraw/zinc/26/24/89/1032262489.db2.gz DYRVVJRKFPNWPR-ZWKOTPCHSA-N 2 1 343.540 3.891 20 0 EHADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449185815 1032304291 /nfs/dbraw/zinc/30/42/91/1032304291.db2.gz NZOYYTFNHANKLR-IIMDRIAPSA-N 2 1 326.484 3.957 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000449207653 1032311613 /nfs/dbraw/zinc/31/16/13/1032311613.db2.gz CGXCQYYYRXSMSL-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)cccc1C(F)(F)F ZINC001168358651 1032322105 /nfs/dbraw/zinc/32/21/05/1032322105.db2.gz TYYBTDSJCPOUCM-UHFFFAOYSA-N 2 1 326.406 3.978 20 0 EHADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449219519 1032336037 /nfs/dbraw/zinc/33/60/37/1032336037.db2.gz NNMBKYVWCPLKQC-JKSUJKDBSA-N 2 1 339.568 3.558 20 0 EHADMP CC[C@@](O)(C[NH2+]C1CCN([C@H](C)c2ccccc2)CC1)C(F)(F)F ZINC000905122255 1032350978 /nfs/dbraw/zinc/35/09/78/1032350978.db2.gz LJTRIFGWSPOWJX-RHSMWYFYSA-N 2 1 344.421 3.505 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000081632073 1032356462 /nfs/dbraw/zinc/35/64/62/1032356462.db2.gz MWHXTNBTEXCTGA-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632073 1032356470 /nfs/dbraw/zinc/35/64/70/1032356470.db2.gz MWHXTNBTEXCTGA-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632073 1032356475 /nfs/dbraw/zinc/35/64/75/1032356475.db2.gz MWHXTNBTEXCTGA-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632073 1032356494 /nfs/dbraw/zinc/35/64/94/1032356494.db2.gz MWHXTNBTEXCTGA-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632073 1032356502 /nfs/dbraw/zinc/35/65/02/1032356502.db2.gz MWHXTNBTEXCTGA-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449253960 1032362999 /nfs/dbraw/zinc/36/29/99/1032362999.db2.gz VKGFAYCOAUETQI-GFCCVEGCSA-N 2 1 329.271 3.612 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC000459662623 1032390728 /nfs/dbraw/zinc/39/07/28/1032390728.db2.gz HEURRHYDSMMSHA-KSEOMHKRSA-N 2 1 335.495 3.699 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC000459662623 1032390734 /nfs/dbraw/zinc/39/07/34/1032390734.db2.gz HEURRHYDSMMSHA-KSEOMHKRSA-N 2 1 335.495 3.699 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459723603 1032431381 /nfs/dbraw/zinc/43/13/81/1032431381.db2.gz AGRHZZGNEQRNQW-IXDOHACOSA-N 2 1 334.504 3.517 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1F ZINC000892741170 1017285468 /nfs/dbraw/zinc/28/54/68/1017285468.db2.gz QPCGAGFDGDLOCV-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000892741170 1017285482 /nfs/dbraw/zinc/28/54/82/1017285482.db2.gz QPCGAGFDGDLOCV-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000459787734 1032474411 /nfs/dbraw/zinc/47/44/11/1032474411.db2.gz PWIVZCLFEBMPPT-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000119067966 1032558854 /nfs/dbraw/zinc/55/88/54/1032558854.db2.gz JSTCVZAVCRTSRC-GOSISDBHSA-N 2 1 343.471 3.524 20 0 EHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000119067966 1032558858 /nfs/dbraw/zinc/55/88/58/1032558858.db2.gz JSTCVZAVCRTSRC-GOSISDBHSA-N 2 1 343.471 3.524 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000449463880 1032613113 /nfs/dbraw/zinc/61/31/13/1032613113.db2.gz XBDMEDADCJSWQK-DOMZBBRYSA-N 2 1 338.377 3.739 20 0 EHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2c(s1)CCCC2 ZINC000124400189 1017331633 /nfs/dbraw/zinc/33/16/33/1017331633.db2.gz FUSBKWFIGQRUOZ-INIZCTEOSA-N 2 1 349.588 3.551 20 0 EHADMP C[C@H]1CCC[C@](C[NH2+]C2CCN(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000378888445 1017365013 /nfs/dbraw/zinc/36/50/13/1017365013.db2.gz OXPBJBDLDCPBBE-RXVVDRJESA-N 2 1 329.532 3.756 20 0 EHADMP Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C)cn1 ZINC000537399331 1032696270 /nfs/dbraw/zinc/69/62/70/1032696270.db2.gz RJQGRNMFIBUUHL-HXUWFJFHSA-N 2 1 340.515 3.762 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CCOC3CCCCC3)CC2)cc1 ZINC000378907146 1017400045 /nfs/dbraw/zinc/40/00/45/1017400045.db2.gz ZRAGOPAILJRPDD-UHFFFAOYSA-N 2 1 330.516 3.632 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655700557 1017416620 /nfs/dbraw/zinc/41/66/20/1017416620.db2.gz MRMIIFYDKKHMQB-NQIIRXRSSA-N 2 1 344.543 3.976 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000655703094 1017428269 /nfs/dbraw/zinc/42/82/69/1017428269.db2.gz LURBSIVGZZEHAI-HKUYNNGSSA-N 2 1 339.483 3.653 20 0 EHADMP [NH3+]CCC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000415055802 1017479132 /nfs/dbraw/zinc/47/91/32/1017479132.db2.gz OUWMRHUALVTSTQ-QGZVFWFLSA-N 2 1 338.480 3.775 20 0 EHADMP CC[C@H](CSc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738172 1017500675 /nfs/dbraw/zinc/50/06/75/1017500675.db2.gz SOLBYRWPKSMKSS-IEBWSBKVSA-N 2 1 348.556 3.790 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078205 1017509684 /nfs/dbraw/zinc/50/96/84/1017509684.db2.gz FZLREPOPZISFSP-SLFFLAALSA-N 2 1 328.431 3.596 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C(C)C ZINC000343840450 1017525920 /nfs/dbraw/zinc/52/59/20/1017525920.db2.gz BKARUQFVUINKIO-UHFFFAOYSA-N 2 1 340.895 3.710 20 0 EHADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415085742 1017532707 /nfs/dbraw/zinc/53/27/07/1017532707.db2.gz RAKIXFBUCHBVJT-FCHUYYIVSA-N 3 1 343.559 3.827 20 0 EHADMP Cc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1C ZINC000655761949 1017558785 /nfs/dbraw/zinc/55/87/85/1017558785.db2.gz RMKWTRPZLNPNKK-NRFANRHFSA-N 2 1 342.527 3.568 20 0 EHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C1 ZINC000415118517 1017575092 /nfs/dbraw/zinc/57/50/92/1017575092.db2.gz DHVFYCMFBWXAMM-SUMWQHHRSA-N 2 1 343.298 3.712 20 0 EHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C1 ZINC000415125067 1017588026 /nfs/dbraw/zinc/58/80/26/1017588026.db2.gz NPMNKFWHNWVEOO-WBVHZDCISA-N 2 1 343.298 3.712 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000275604945 1017615163 /nfs/dbraw/zinc/61/51/63/1017615163.db2.gz QQNBYSFOIKSTJK-STQMWFEESA-N 2 1 339.361 3.695 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835291 1017726727 /nfs/dbraw/zinc/72/67/27/1017726727.db2.gz WXVSBMIEHWTJPD-WIYYLYMNSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835291 1017726738 /nfs/dbraw/zinc/72/67/38/1017726738.db2.gz WXVSBMIEHWTJPD-WIYYLYMNSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655839806 1017744071 /nfs/dbraw/zinc/74/40/71/1017744071.db2.gz WNQPLYJIDLWNGG-RNQOJCNYSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655839804 1017745458 /nfs/dbraw/zinc/74/54/58/1017745458.db2.gz WNQPLYJIDLWNGG-GSEOLPGOSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000275630055 1017812255 /nfs/dbraw/zinc/81/22/55/1017812255.db2.gz SDERBWZAAAAQSE-QWHCGFSZSA-N 2 1 334.261 3.559 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000275630051 1017812575 /nfs/dbraw/zinc/81/25/75/1017812575.db2.gz SDERBWZAAAAQSE-CHWSQXEVSA-N 2 1 334.261 3.559 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000579977559 1017947426 /nfs/dbraw/zinc/94/74/26/1017947426.db2.gz FYYXYHPMVVWNKH-NUJGCVRESA-N 2 1 338.499 3.592 20 0 EHADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000340484187 1018058513 /nfs/dbraw/zinc/05/85/13/1018058513.db2.gz ASGKVEXJDVUQRK-INIZCTEOSA-N 2 1 330.472 3.815 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000377664211 1018147119 /nfs/dbraw/zinc/14/71/19/1018147119.db2.gz DIVTWGVCXZVZNV-MOPGFXCFSA-N 2 1 346.906 3.660 20 0 EHADMP CCCN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001167331850 1018202215 /nfs/dbraw/zinc/20/22/15/1018202215.db2.gz BIAIOASEZLTZPV-FGZHOGPDSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167331850 1018202227 /nfs/dbraw/zinc/20/22/27/1018202227.db2.gz BIAIOASEZLTZPV-FGZHOGPDSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001167331850 1018202232 /nfs/dbraw/zinc/20/22/32/1018202232.db2.gz BIAIOASEZLTZPV-FGZHOGPDSA-N 2 1 343.559 3.847 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340516976 1018203851 /nfs/dbraw/zinc/20/38/51/1018203851.db2.gz YAQRFARWQSZGTR-QKLQHJQFSA-N 2 1 339.483 3.651 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593097335 1032757511 /nfs/dbraw/zinc/75/75/11/1032757511.db2.gz YKHJRXHQVMNGLF-QGZVFWFLSA-N 2 1 335.492 3.558 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593097335 1032757523 /nfs/dbraw/zinc/75/75/23/1032757523.db2.gz YKHJRXHQVMNGLF-QGZVFWFLSA-N 2 1 335.492 3.558 20 0 EHADMP c1ccc2nc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cnc2c1 ZINC000614386147 1018940736 /nfs/dbraw/zinc/94/07/36/1018940736.db2.gz SSEXWCWDXAULFX-UHFFFAOYSA-N 2 1 332.451 3.515 20 0 EHADMP Cc1noc2ncc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)cc12 ZINC000894211550 1019338467 /nfs/dbraw/zinc/33/84/67/1019338467.db2.gz PWYDNZPAIAFGOX-UHFFFAOYSA-N 2 1 342.487 3.666 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513211807 1019418462 /nfs/dbraw/zinc/41/84/62/1019418462.db2.gz BSRQGGDKIGEPAC-UGKGYDQZSA-N 3 1 343.559 3.751 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513211807 1019418470 /nfs/dbraw/zinc/41/84/70/1019418470.db2.gz BSRQGGDKIGEPAC-UGKGYDQZSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(C)s2)CC1 ZINC000513381267 1019583479 /nfs/dbraw/zinc/58/34/79/1019583479.db2.gz QSYIIKOZWHMPAH-UHFFFAOYSA-N 2 1 343.540 3.830 20 0 EHADMP CC(C)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001167424202 1019756907 /nfs/dbraw/zinc/75/69/07/1019756907.db2.gz DMQRKRJCWWHWHL-NRFANRHFSA-N 2 1 330.516 3.777 20 0 EHADMP CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001167424202 1019756922 /nfs/dbraw/zinc/75/69/22/1019756922.db2.gz DMQRKRJCWWHWHL-NRFANRHFSA-N 2 1 330.516 3.777 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000664203614 1019764605 /nfs/dbraw/zinc/76/46/05/1019764605.db2.gz XYKBYSZMYZHPIM-YYWHXJBOSA-N 2 1 339.458 3.531 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1NC(C)=O ZINC000155834775 1019942739 /nfs/dbraw/zinc/94/27/39/1019942739.db2.gz XAZUQUMEGWYXBG-MRXNPFEDSA-N 2 1 349.519 3.813 20 0 EHADMP CC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@@H]1CCC[NH2+]CC1 ZINC000345191614 1020014144 /nfs/dbraw/zinc/01/41/44/1020014144.db2.gz RMEBLZSNNZSHBP-LJQANCHMSA-N 2 1 348.494 3.965 20 0 EHADMP Clc1sc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000310779977 1020049057 /nfs/dbraw/zinc/04/90/57/1020049057.db2.gz FGPDYOKENSMAIC-AOOOYVTPSA-N 2 1 349.725 3.595 20 0 EHADMP Clc1sc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000310779977 1020049068 /nfs/dbraw/zinc/04/90/68/1020049068.db2.gz FGPDYOKENSMAIC-AOOOYVTPSA-N 2 1 349.725 3.595 20 0 EHADMP CCCc1ncc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000449612527 1032880707 /nfs/dbraw/zinc/88/07/07/1032880707.db2.gz MQHXUOOBNRRWGX-YZGWKJHDSA-N 2 1 339.483 3.627 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000280400881 1020364214 /nfs/dbraw/zinc/36/42/14/1020364214.db2.gz XQZDXVXKMYDKCN-ZIAGYGMSSA-N 2 1 326.406 3.710 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976579 1020518214 /nfs/dbraw/zinc/51/82/14/1020518214.db2.gz QZABAPXUMKARSB-UHFFFAOYSA-N 2 1 339.483 3.775 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542546 1020580807 /nfs/dbraw/zinc/58/08/07/1020580807.db2.gz KUKIZAOSGQDTGO-QZTJIDSGSA-N 2 1 349.563 3.540 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542546 1020580816 /nfs/dbraw/zinc/58/08/16/1020580816.db2.gz KUKIZAOSGQDTGO-QZTJIDSGSA-N 2 1 349.563 3.540 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035348 1020671940 /nfs/dbraw/zinc/67/19/40/1020671940.db2.gz ILCZUXZTTIQHMI-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035348 1020671945 /nfs/dbraw/zinc/67/19/45/1020671945.db2.gz ILCZUXZTTIQHMI-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035348 1020671950 /nfs/dbraw/zinc/67/19/50/1020671950.db2.gz ILCZUXZTTIQHMI-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430558669 1020691422 /nfs/dbraw/zinc/69/14/22/1020691422.db2.gz QNRAJTXLQCNJIB-HXUWFJFHSA-N 2 1 339.483 3.744 20 0 EHADMP Cc1cc2ncc([C@H](C)[NH2+]CCCC[N@H+]3CCCC[C@@H]3C)c(C)n2n1 ZINC000093398265 1032932890 /nfs/dbraw/zinc/93/28/90/1032932890.db2.gz HQOOEIQAXFOBFA-IRXDYDNUSA-N 2 1 343.519 3.651 20 0 EHADMP c1ccc(OCc2cccnc2)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000075734281 1021181041 /nfs/dbraw/zinc/18/10/41/1021181041.db2.gz QDNQWOXJQVEWKF-UHFFFAOYSA-N 2 1 339.483 3.626 20 0 EHADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167963947 1021227314 /nfs/dbraw/zinc/22/73/14/1021227314.db2.gz IWHCONYJDCBLHF-IHWFROFDSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000507471837 1021286016 /nfs/dbraw/zinc/28/60/16/1021286016.db2.gz PULLHYNVGIQPJU-LVCYWYKZSA-N 2 1 330.516 3.966 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000656783055 1021321987 /nfs/dbraw/zinc/32/19/87/1021321987.db2.gz NAEQQIBVOPVKMI-IBGZPJMESA-N 2 1 344.547 3.679 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cc1O ZINC000426403677 1021486538 /nfs/dbraw/zinc/48/65/38/1021486538.db2.gz WTXBUHAZLBGAAE-INIZCTEOSA-N 2 1 334.504 3.576 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430646395 1021601004 /nfs/dbraw/zinc/60/10/04/1021601004.db2.gz PEPXAEANSJFPGA-HNNXBMFYSA-N 2 1 332.394 3.928 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430646395 1021601007 /nfs/dbraw/zinc/60/10/07/1021601007.db2.gz PEPXAEANSJFPGA-HNNXBMFYSA-N 2 1 332.394 3.928 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[NH+](CC2CCCCC2)CC1 ZINC000519709154 1021639854 /nfs/dbraw/zinc/63/98/54/1021639854.db2.gz YKCZXETWTIQKAT-OAQYLSRUSA-N 2 1 335.580 3.837 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000519709154 1021639870 /nfs/dbraw/zinc/63/98/70/1021639870.db2.gz YKCZXETWTIQKAT-OAQYLSRUSA-N 2 1 335.580 3.837 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000519709154 1021639877 /nfs/dbraw/zinc/63/98/77/1021639877.db2.gz YKCZXETWTIQKAT-OAQYLSRUSA-N 2 1 335.580 3.837 20 0 EHADMP Cc1nc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[nH]c1C ZINC000581738001 1021655392 /nfs/dbraw/zinc/65/53/92/1021655392.db2.gz ZABUDSISARHVRZ-OAHLLOKOSA-N 2 1 326.488 3.548 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[nH]c1C ZINC000581738001 1021655397 /nfs/dbraw/zinc/65/53/97/1021655397.db2.gz ZABUDSISARHVRZ-OAHLLOKOSA-N 2 1 326.488 3.548 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[nH]c1C ZINC000581738001 1021655405 /nfs/dbraw/zinc/65/54/05/1021655405.db2.gz ZABUDSISARHVRZ-OAHLLOKOSA-N 2 1 326.488 3.548 20 0 EHADMP COCC[NH2+]C1CC[NH+](Cc2cccc(-c3ccccc3C)c2)CC1 ZINC000519757855 1021674666 /nfs/dbraw/zinc/67/46/66/1021674666.db2.gz JMIUTXNTAPKMES-UHFFFAOYSA-N 2 1 338.495 3.862 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000518996174 1021746154 /nfs/dbraw/zinc/74/61/54/1021746154.db2.gz VJGNCYYKJKZBPJ-OAHLLOKOSA-N 2 1 348.288 3.605 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000518996174 1021746167 /nfs/dbraw/zinc/74/61/67/1021746167.db2.gz VJGNCYYKJKZBPJ-OAHLLOKOSA-N 2 1 348.288 3.605 20 0 EHADMP C[C@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCC[NH2+]C1 ZINC000414903045 1021768980 /nfs/dbraw/zinc/76/89/80/1021768980.db2.gz HVNIMHKMTZMRAO-LBPRGKRZSA-N 2 1 337.714 3.643 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000276660857 1022059250 /nfs/dbraw/zinc/05/92/50/1022059250.db2.gz NWPNGIYVPLKEOU-CHWSQXEVSA-N 2 1 325.378 3.763 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000579220540 1022073911 /nfs/dbraw/zinc/07/39/11/1022073911.db2.gz GCLPIZKDEGFDDO-QGZVFWFLSA-N 2 1 344.547 3.546 20 0 EHADMP CCOC1CC(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000276674287 1022165403 /nfs/dbraw/zinc/16/54/03/1022165403.db2.gz SAMJMMFHNXMJKZ-MAKTXDPSSA-N 2 1 330.516 3.692 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@](C)(C[NH3+])C1 ZINC001167967092 1022174997 /nfs/dbraw/zinc/17/49/97/1022174997.db2.gz BBOYTNBJICHIFM-QGRWVYRCSA-N 3 1 333.564 3.525 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070118 1022176713 /nfs/dbraw/zinc/17/67/13/1022176713.db2.gz UNBLMKTWLFZZOD-BDJLRTHQSA-N 2 1 343.284 3.626 20 0 EHADMP COc1ccc2c(c1)c(C[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968346 1022248335 /nfs/dbraw/zinc/24/83/35/1022248335.db2.gz QAESBMNQHNUEQB-JWTNVVGKSA-N 2 1 339.483 3.687 20 0 EHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000517388141 1022298306 /nfs/dbraw/zinc/29/83/06/1022298306.db2.gz XNLRFHJURYYLMB-YLJYHZDGSA-N 2 1 346.478 3.851 20 0 EHADMP Fc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167975124 1022570307 /nfs/dbraw/zinc/57/03/07/1022570307.db2.gz HXIJZBZVMAHBRE-WVVQBRDUSA-N 2 1 328.475 3.678 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449686592 1033066643 /nfs/dbraw/zinc/06/66/43/1033066643.db2.gz ZIBVOHWKIBXKJQ-OXJNMPFZSA-N 2 1 325.456 3.744 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449686592 1033066648 /nfs/dbraw/zinc/06/66/48/1033066648.db2.gz ZIBVOHWKIBXKJQ-OXJNMPFZSA-N 2 1 325.456 3.744 20 0 EHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000430741490 1022642652 /nfs/dbraw/zinc/64/26/52/1022642652.db2.gz JDEAQIVMMANEDC-JWWGGVBKSA-N 2 1 330.516 3.558 20 0 EHADMP CC1(C)C[N@@H+](C[C@H]2CCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836085 1022690020 /nfs/dbraw/zinc/69/00/20/1022690020.db2.gz OAHCLIDPVXNRIP-TZIWHRDSSA-N 2 1 342.527 3.646 20 0 EHADMP CC(C)C[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167977801 1022739679 /nfs/dbraw/zinc/73/96/79/1022739679.db2.gz FMJTUHMAJREHAU-UKVDTYTHSA-N 3 1 333.564 3.620 20 0 EHADMP CC(C)C[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167977801 1022739692 /nfs/dbraw/zinc/73/96/92/1022739692.db2.gz FMJTUHMAJREHAU-UKVDTYTHSA-N 3 1 333.564 3.620 20 0 EHADMP CC(C)C[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167977801 1022739700 /nfs/dbraw/zinc/73/97/00/1022739700.db2.gz FMJTUHMAJREHAU-UKVDTYTHSA-N 3 1 333.564 3.620 20 0 EHADMP COc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167977882 1022741563 /nfs/dbraw/zinc/74/15/63/1022741563.db2.gz HUYLFWPXVHSWSZ-IHWFROFDSA-N 2 1 340.511 3.765 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000430930239 1022899001 /nfs/dbraw/zinc/89/90/01/1022899001.db2.gz XPLAZBKWTZNNDE-CYBMUJFWSA-N 2 1 349.931 3.947 20 0 EHADMP Cc1cccc([C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000441475521 1023087741 /nfs/dbraw/zinc/08/77/41/1023087741.db2.gz QCQZTJWVXIYFMD-OTWHNJEPSA-N 2 1 330.516 3.877 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000341712523 1023107946 /nfs/dbraw/zinc/10/79/46/1023107946.db2.gz QJGJEFGZNRINOA-OAQYLSRUSA-N 2 1 335.451 3.992 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000647219006 1023156254 /nfs/dbraw/zinc/15/62/54/1023156254.db2.gz YYCKGYMBQOQNLV-HSALFYBXSA-N 2 1 328.500 3.731 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000647219006 1023156262 /nfs/dbraw/zinc/15/62/62/1023156262.db2.gz YYCKGYMBQOQNLV-HSALFYBXSA-N 2 1 328.500 3.731 20 0 EHADMP Cc1cccc([C@H]2CCCCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431059669 1023188892 /nfs/dbraw/zinc/18/88/92/1023188892.db2.gz CUSFYPHMKJWMNB-MRXNPFEDSA-N 2 1 328.460 3.689 20 0 EHADMP Cc1cccc([C@H]2CCCCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431059669 1023188899 /nfs/dbraw/zinc/18/88/99/1023188899.db2.gz CUSFYPHMKJWMNB-MRXNPFEDSA-N 2 1 328.460 3.689 20 0 EHADMP CCC[N@@H+](CCOc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431064180 1023194954 /nfs/dbraw/zinc/19/49/54/1023194954.db2.gz CQMOFJBWMLMAQT-UHFFFAOYSA-N 2 1 330.394 3.548 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1nccn1C ZINC000341755783 1023264836 /nfs/dbraw/zinc/26/48/36/1023264836.db2.gz AJBZSRNULLLQNO-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1nccn1C ZINC000341755783 1023264840 /nfs/dbraw/zinc/26/48/40/1023264840.db2.gz AJBZSRNULLLQNO-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000283181853 1023381194 /nfs/dbraw/zinc/38/11/94/1023381194.db2.gz FFAKBVGONWYEKV-LJQANCHMSA-N 2 1 349.950 3.545 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)s1 ZINC000276951158 1023455682 /nfs/dbraw/zinc/45/56/82/1023455682.db2.gz ORHYJUCWZFFDIG-QWRGUYRKSA-N 2 1 340.290 3.620 20 0 EHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000536219802 1033146968 /nfs/dbraw/zinc/14/69/68/1033146968.db2.gz KBLAIBFUNMACQF-SFHVURJKSA-N 2 1 343.515 3.650 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000342070489 1023827877 /nfs/dbraw/zinc/82/78/77/1023827877.db2.gz WOFNAZRWUKAXEX-UHFFFAOYSA-N 2 1 337.492 3.923 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000342070489 1023827881 /nfs/dbraw/zinc/82/78/81/1023827881.db2.gz WOFNAZRWUKAXEX-UHFFFAOYSA-N 2 1 337.492 3.923 20 0 EHADMP CCOC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(C)C ZINC000474096551 1024153580 /nfs/dbraw/zinc/15/35/80/1024153580.db2.gz NALNCTSBWBKPEH-MHTWAQMVSA-N 2 1 330.516 3.548 20 0 EHADMP C[C@@H](CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039536 1024188506 /nfs/dbraw/zinc/18/85/06/1024188506.db2.gz POPSXWWQEKHVQW-GHTZIAJQSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H](CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039536 1024188513 /nfs/dbraw/zinc/18/85/13/1024188513.db2.gz POPSXWWQEKHVQW-GHTZIAJQSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H](CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039536 1024188520 /nfs/dbraw/zinc/18/85/20/1024188520.db2.gz POPSXWWQEKHVQW-GHTZIAJQSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H]1CC([NH2+]CCCCCCC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001168024248 1024319853 /nfs/dbraw/zinc/31/98/53/1024319853.db2.gz CUZMMQGVXMRKFA-OALUTQOASA-N 2 1 331.548 3.927 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000346180046 1024495431 /nfs/dbraw/zinc/49/54/31/1024495431.db2.gz JEQMJECHXXKHCD-HNAYVOBHSA-N 2 1 349.434 3.671 20 0 EHADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346219730 1024561787 /nfs/dbraw/zinc/56/17/87/1024561787.db2.gz NDYMXTRTUBYCAL-KRWDZBQOSA-N 2 1 348.450 3.574 20 0 EHADMP C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931060 1033230011 /nfs/dbraw/zinc/23/00/11/1033230011.db2.gz VIUIBPIGVZDUME-DKIMLUQUSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931060 1033230021 /nfs/dbraw/zinc/23/00/21/1033230021.db2.gz VIUIBPIGVZDUME-DKIMLUQUSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931060 1033230031 /nfs/dbraw/zinc/23/00/31/1033230031.db2.gz VIUIBPIGVZDUME-DKIMLUQUSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Oc3ccccn3)c2)CCN1C ZINC000892106934 1024732762 /nfs/dbraw/zinc/73/27/62/1024732762.db2.gz ZCEDKXNTEGBZAW-AEFFLSMTSA-N 2 1 325.456 3.788 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(Oc3ccccn3)c2)CC[N@@H+]1C ZINC000892106934 1024732771 /nfs/dbraw/zinc/73/27/71/1024732771.db2.gz ZCEDKXNTEGBZAW-AEFFLSMTSA-N 2 1 325.456 3.788 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(Oc3ccccn3)c2)CC[N@H+]1C ZINC000892106934 1024732783 /nfs/dbraw/zinc/73/27/83/1024732783.db2.gz ZCEDKXNTEGBZAW-AEFFLSMTSA-N 2 1 325.456 3.788 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427720971 1024752716 /nfs/dbraw/zinc/75/27/16/1024752716.db2.gz WBWWLHKJTMNVSE-KRWDZBQOSA-N 2 1 341.421 3.940 20 0 EHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000895739793 1024777908 /nfs/dbraw/zinc/77/79/08/1024777908.db2.gz JONARJKHQWBPIF-HUUCEWRRSA-N 2 1 329.326 3.500 20 0 EHADMP C[NH+](C)C1(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000507933639 1024781165 /nfs/dbraw/zinc/78/11/65/1024781165.db2.gz CNWCCXOGTSOCBR-UHFFFAOYSA-N 2 1 338.536 3.741 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1cccs1 ZINC000435376425 1024840026 /nfs/dbraw/zinc/84/00/26/1024840026.db2.gz ZROHRALCOBIMOY-PBHICJAKSA-N 2 1 346.496 3.505 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1cccs1 ZINC000435376425 1024840048 /nfs/dbraw/zinc/84/00/48/1024840048.db2.gz ZROHRALCOBIMOY-PBHICJAKSA-N 2 1 346.496 3.505 20 0 EHADMP CC(C)[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000474391904 1024878843 /nfs/dbraw/zinc/87/88/43/1024878843.db2.gz UTURNNNESSXEBN-UWHLTILDSA-N 2 1 330.516 3.610 20 0 EHADMP Oc1cc(F)cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425356 1024911630 /nfs/dbraw/zinc/91/16/30/1024911630.db2.gz CQYPFHZLCSSNRV-SFHVURJKSA-N 2 1 346.471 3.737 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000431327060 1024916069 /nfs/dbraw/zinc/91/60/69/1024916069.db2.gz GAQGQKHUBHIYAB-LJQANCHMSA-N 2 1 334.504 3.582 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000105443108 1024941621 /nfs/dbraw/zinc/94/16/21/1024941621.db2.gz YUAGBVZJSUFTSG-ZDUSSCGKSA-N 2 1 341.377 3.559 20 0 EHADMP CC(C)OC1CC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000428077474 1024976004 /nfs/dbraw/zinc/97/60/04/1024976004.db2.gz FLIUUVBKVYXABN-IEMGHUSZSA-N 2 1 330.516 3.689 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346689730 1025016965 /nfs/dbraw/zinc/01/69/65/1025016965.db2.gz SMVYSBVLYGMSKA-DOTOQJQBSA-N 2 1 328.431 3.574 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942217 1025017426 /nfs/dbraw/zinc/01/74/26/1025017426.db2.gz XDZRXUSFQCGXRR-IHPCNDPISA-N 2 1 348.531 3.873 20 0 EHADMP COCC1C[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000895974209 1025031784 /nfs/dbraw/zinc/03/17/84/1025031784.db2.gz AOUOIACVLBCLAC-NRFANRHFSA-N 2 1 330.516 3.503 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000435777563 1025145369 /nfs/dbraw/zinc/14/53/69/1025145369.db2.gz DERSOXPWXBRNJV-UHFFFAOYSA-N 2 1 326.488 3.669 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000435777563 1025145376 /nfs/dbraw/zinc/14/53/76/1025145376.db2.gz DERSOXPWXBRNJV-UHFFFAOYSA-N 2 1 326.488 3.669 20 0 EHADMP CCc1nc(C)cc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342390528 1025163755 /nfs/dbraw/zinc/16/37/55/1025163755.db2.gz ZXIDNXXBRRXUEK-MJGOQNOKSA-N 2 1 338.499 3.837 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897966998 1033263975 /nfs/dbraw/zinc/26/39/75/1033263975.db2.gz IUNDSWFFBXUENL-AGHHOFFYSA-N 2 1 335.495 3.970 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897966998 1033263984 /nfs/dbraw/zinc/26/39/84/1033263984.db2.gz IUNDSWFFBXUENL-AGHHOFFYSA-N 2 1 335.495 3.970 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000469854186 1025179974 /nfs/dbraw/zinc/17/99/74/1025179974.db2.gz VXLBSHWHBITXIA-WBVHZDCISA-N 2 1 328.431 3.574 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039306 1025224632 /nfs/dbraw/zinc/22/46/32/1025224632.db2.gz CVWIZAHJLPJVER-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039306 1025224638 /nfs/dbraw/zinc/22/46/38/1025224638.db2.gz CVWIZAHJLPJVER-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039306 1025224642 /nfs/dbraw/zinc/22/46/42/1025224642.db2.gz CVWIZAHJLPJVER-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039306 1025224649 /nfs/dbraw/zinc/22/46/49/1025224649.db2.gz CVWIZAHJLPJVER-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1CC([N@@H+]2C[C@H](CO)CC[C@@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040025 1025268119 /nfs/dbraw/zinc/26/81/19/1025268119.db2.gz JWVWULPJLJERIE-JRBPQWBISA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@H+]2C[C@H](CO)CC[C@@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040025 1025268129 /nfs/dbraw/zinc/26/81/29/1025268129.db2.gz JWVWULPJLJERIE-JRBPQWBISA-N 2 1 330.516 3.521 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000522779138 1025284145 /nfs/dbraw/zinc/28/41/45/1025284145.db2.gz NTOPVRDGTXCLCI-IBGZPJMESA-N 2 1 338.536 3.698 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000536875305 1033273618 /nfs/dbraw/zinc/27/36/18/1033273618.db2.gz HQWHBIXJHNPANY-JSGCOSHPSA-N 2 1 331.287 3.692 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)cc1 ZINC000474035388 1025315533 /nfs/dbraw/zinc/31/55/33/1025315533.db2.gz NWQHGDMCJHGWAJ-ILWGZMRPSA-N 2 1 342.527 3.836 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168040729 1025335843 /nfs/dbraw/zinc/33/58/43/1025335843.db2.gz ORAKMKSMMIUNTD-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040729 1025335856 /nfs/dbraw/zinc/33/58/56/1025335856.db2.gz ORAKMKSMMIUNTD-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040729 1025335862 /nfs/dbraw/zinc/33/58/62/1025335862.db2.gz ORAKMKSMMIUNTD-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040729 1025335875 /nfs/dbraw/zinc/33/58/75/1025335875.db2.gz ORAKMKSMMIUNTD-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040729 1025335889 /nfs/dbraw/zinc/33/58/89/1025335889.db2.gz ORAKMKSMMIUNTD-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1CC([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041298 1025399731 /nfs/dbraw/zinc/39/97/31/1025399731.db2.gz RUJNQWYARNFVGF-NEYJZJCJSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@@H](C)[C@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041298 1025399740 /nfs/dbraw/zinc/39/97/40/1025399740.db2.gz RUJNQWYARNFVGF-NEYJZJCJSA-N 2 1 330.516 3.521 20 0 EHADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425482708 1025428980 /nfs/dbraw/zinc/42/89/80/1025428980.db2.gz TYOFYHNFKXXBPF-QGZVFWFLSA-N 2 1 335.492 3.558 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425482708 1025428985 /nfs/dbraw/zinc/42/89/85/1025428985.db2.gz TYOFYHNFKXXBPF-QGZVFWFLSA-N 2 1 335.492 3.558 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425482708 1025428994 /nfs/dbraw/zinc/42/89/94/1025428994.db2.gz TYOFYHNFKXXBPF-QGZVFWFLSA-N 2 1 335.492 3.558 20 0 EHADMP C[NH+](C)[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442721371 1025453251 /nfs/dbraw/zinc/45/32/51/1025453251.db2.gz UBQFAARVTQGAJR-HRAATJIYSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442779243 1025473135 /nfs/dbraw/zinc/47/31/35/1025473135.db2.gz LORYWUVHCXCCRQ-IXDOHACOSA-N 2 1 337.467 3.669 20 0 EHADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000474799452 1025480602 /nfs/dbraw/zinc/48/06/02/1025480602.db2.gz CUMHYCMWTKPVQS-GCJKJVERSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000474799452 1025480616 /nfs/dbraw/zinc/48/06/16/1025480616.db2.gz CUMHYCMWTKPVQS-GCJKJVERSA-N 2 1 337.511 3.823 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442861145 1025532032 /nfs/dbraw/zinc/53/20/32/1025532032.db2.gz MJPSYWOHEDOFGH-RTBURBONSA-N 2 1 345.490 3.747 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000521632819 1025533305 /nfs/dbraw/zinc/53/33/05/1025533305.db2.gz WWGIZKSNCVPORF-GJZGRUSLSA-N 2 1 331.485 3.533 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000286027862 1025539410 /nfs/dbraw/zinc/53/94/10/1025539410.db2.gz KACZQQWQRMDCKP-CDQBWFRLSA-N 2 1 342.527 3.977 20 0 EHADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436297486 1025561760 /nfs/dbraw/zinc/56/17/60/1025561760.db2.gz VRLLKIYIHQXDDT-GGPKGHCWSA-N 2 1 344.547 3.833 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629218 1025619197 /nfs/dbraw/zinc/61/91/97/1025619197.db2.gz DZVUXZPSHJKSSX-WIYYLYMNSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000121629218 1025619204 /nfs/dbraw/zinc/61/92/04/1025619204.db2.gz DZVUXZPSHJKSSX-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000121629218 1025619216 /nfs/dbraw/zinc/61/92/16/1025619216.db2.gz DZVUXZPSHJKSSX-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629218 1025619228 /nfs/dbraw/zinc/61/92/28/1025619228.db2.gz DZVUXZPSHJKSSX-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000582235413 1025623860 /nfs/dbraw/zinc/62/38/60/1025623860.db2.gz GDAPIXYMONXHGE-ROUUACIJSA-N 2 1 329.419 3.763 20 0 EHADMP CSC[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](CSC)C2)C1 ZINC000521742233 1025645840 /nfs/dbraw/zinc/64/58/40/1025645840.db2.gz IVCYRMHPHLMJMH-ROUUACIJSA-N 2 1 344.634 3.917 20 0 EHADMP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443064726 1025683310 /nfs/dbraw/zinc/68/33/10/1025683310.db2.gz YRZCITWQMKDWJB-OAHLLOKOSA-N 2 1 330.501 3.756 20 0 EHADMP c1nc2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cc2[nH]1 ZINC000521821195 1025709951 /nfs/dbraw/zinc/70/99/51/1025709951.db2.gz FIWBBCDRAQTHFP-UHFFFAOYSA-N 2 1 334.467 3.839 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000474054085 1026094728 /nfs/dbraw/zinc/09/47/28/1026094728.db2.gz PYLKKRYECPYDER-VIYGXFRKSA-N 2 1 336.564 3.929 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451572135 1026123412 /nfs/dbraw/zinc/12/34/12/1026123412.db2.gz RWIAFQHVGGASQX-INIZCTEOSA-N 2 1 348.288 3.834 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451572135 1026123416 /nfs/dbraw/zinc/12/34/16/1026123416.db2.gz RWIAFQHVGGASQX-INIZCTEOSA-N 2 1 348.288 3.834 20 0 EHADMP COC1CCC(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000530693702 1026212972 /nfs/dbraw/zinc/21/29/72/1026212972.db2.gz TWTVCFPHSGVBSY-UHFFFAOYSA-N 2 1 332.532 3.939 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000530701398 1026229952 /nfs/dbraw/zinc/22/99/52/1026229952.db2.gz VJZXATAZSYGIJN-HMVHIAHLSA-N 2 1 342.527 3.911 20 0 EHADMP CC(C)[C@H]1COCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056679 1026247973 /nfs/dbraw/zinc/24/79/73/1026247973.db2.gz HSQQKHCASZRTIT-BBTUJRGHSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@H]1COCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056679 1026247983 /nfs/dbraw/zinc/24/79/83/1026247983.db2.gz HSQQKHCASZRTIT-BBTUJRGHSA-N 2 1 330.516 3.785 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000342571126 1026321099 /nfs/dbraw/zinc/32/10/99/1026321099.db2.gz CVQQQYRRGGPDPC-SJORKVTESA-N 2 1 337.389 3.907 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)ccc1OC ZINC000840815247 1026378016 /nfs/dbraw/zinc/37/80/16/1026378016.db2.gz CPKLRIUNMMMKSJ-HZPDHXFCSA-N 2 1 344.503 3.682 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901494 1026385826 /nfs/dbraw/zinc/38/58/26/1026385826.db2.gz DHJUQSMWDGYVLK-JSGCOSHPSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901494 1026385836 /nfs/dbraw/zinc/38/58/36/1026385836.db2.gz DHJUQSMWDGYVLK-JSGCOSHPSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901494 1026385849 /nfs/dbraw/zinc/38/58/49/1026385849.db2.gz DHJUQSMWDGYVLK-JSGCOSHPSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000530901466 1026387805 /nfs/dbraw/zinc/38/78/05/1026387805.db2.gz BJJLYKPIMYCGOM-ZFWWWQNUSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000530901466 1026387819 /nfs/dbraw/zinc/38/78/19/1026387819.db2.gz BJJLYKPIMYCGOM-ZFWWWQNUSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000530901466 1026387826 /nfs/dbraw/zinc/38/78/26/1026387826.db2.gz BJJLYKPIMYCGOM-ZFWWWQNUSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905630 1026390803 /nfs/dbraw/zinc/39/08/03/1026390803.db2.gz UIJAUHSOTRIPFG-GJZGRUSLSA-N 2 1 344.421 3.889 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905630 1026390816 /nfs/dbraw/zinc/39/08/16/1026390816.db2.gz UIJAUHSOTRIPFG-GJZGRUSLSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905630 1026390826 /nfs/dbraw/zinc/39/08/26/1026390826.db2.gz UIJAUHSOTRIPFG-GJZGRUSLSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905630 1026390837 /nfs/dbraw/zinc/39/08/37/1026390837.db2.gz UIJAUHSOTRIPFG-GJZGRUSLSA-N 2 1 344.421 3.889 20 0 EHADMP CC(=O)[C@@H]1CCCC[N@@H+]1C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168059797 1026401946 /nfs/dbraw/zinc/40/19/46/1026401946.db2.gz HFYRHORMUWKGMK-LZJOCLMNSA-N 2 1 328.500 3.872 20 0 EHADMP CC(=O)[C@@H]1CCCCN1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168059797 1026401951 /nfs/dbraw/zinc/40/19/51/1026401951.db2.gz HFYRHORMUWKGMK-LZJOCLMNSA-N 2 1 328.500 3.872 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000342606302 1026442458 /nfs/dbraw/zinc/44/24/58/1026442458.db2.gz KSRROWXFSQVUKB-UHFFFAOYSA-N 2 1 348.288 3.618 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000342606302 1026442472 /nfs/dbraw/zinc/44/24/72/1026442472.db2.gz KSRROWXFSQVUKB-UHFFFAOYSA-N 2 1 348.288 3.618 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140072 1026621115 /nfs/dbraw/zinc/62/11/15/1026621115.db2.gz HOPNEPUYLCIBPU-JSGCOSHPSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140072 1026621123 /nfs/dbraw/zinc/62/11/23/1026621123.db2.gz HOPNEPUYLCIBPU-JSGCOSHPSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140072 1026621131 /nfs/dbraw/zinc/62/11/31/1026621131.db2.gz HOPNEPUYLCIBPU-JSGCOSHPSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140072 1026621136 /nfs/dbraw/zinc/62/11/36/1026621136.db2.gz HOPNEPUYLCIBPU-JSGCOSHPSA-N 2 1 343.284 3.893 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CC=CCC3)CC2)cs1 ZINC000122672776 1026640051 /nfs/dbraw/zinc/64/00/51/1026640051.db2.gz PUSQZPROQXMTPZ-MRXNPFEDSA-N 2 1 333.545 3.863 20 0 EHADMP Cc1ccccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000531187953 1026657999 /nfs/dbraw/zinc/65/79/99/1026657999.db2.gz KJIPGNZYXYGBER-UHFFFAOYSA-N 2 1 343.559 3.623 20 0 EHADMP Cc1ccccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531187953 1026658004 /nfs/dbraw/zinc/65/80/04/1026658004.db2.gz KJIPGNZYXYGBER-UHFFFAOYSA-N 3 1 343.559 3.623 20 0 EHADMP Cc1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531187953 1026658011 /nfs/dbraw/zinc/65/80/11/1026658011.db2.gz KJIPGNZYXYGBER-UHFFFAOYSA-N 3 1 343.559 3.623 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000342678429 1026691105 /nfs/dbraw/zinc/69/11/05/1026691105.db2.gz YODMXOPKVUZTLF-KGLIPLIRSA-N 2 1 325.884 3.659 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000342678429 1026691107 /nfs/dbraw/zinc/69/11/07/1026691107.db2.gz YODMXOPKVUZTLF-KGLIPLIRSA-N 2 1 325.884 3.659 20 0 EHADMP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000657532298 1027001111 /nfs/dbraw/zinc/00/11/11/1027001111.db2.gz GMTLQYWGJUAHMO-SFHVURJKSA-N 2 1 325.500 3.933 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535567 1027024930 /nfs/dbraw/zinc/02/49/30/1027024930.db2.gz OBVNAYSVSLORCP-AZUAARDMSA-N 2 1 335.495 3.972 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535567 1027024939 /nfs/dbraw/zinc/02/49/39/1027024939.db2.gz OBVNAYSVSLORCP-AZUAARDMSA-N 2 1 335.495 3.972 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700563 1027222436 /nfs/dbraw/zinc/22/24/36/1027222436.db2.gz NLWQQJOLAHPCNJ-MJGOQNOKSA-N 2 1 340.467 3.586 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000075799833 1027226034 /nfs/dbraw/zinc/22/60/34/1027226034.db2.gz DDAHSUUGGOWKAX-UHFFFAOYSA-N 2 1 330.422 3.762 20 0 EHADMP CC[NH+]1CCN(C[C@@H](C)CNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000302691695 1027240640 /nfs/dbraw/zinc/24/06/40/1027240640.db2.gz VLGURBRYWATNHT-INIZCTEOSA-N 2 1 340.515 3.537 20 0 EHADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CCCC4)C3)C2)c1 ZINC000501465739 1027295655 /nfs/dbraw/zinc/29/56/55/1027295655.db2.gz GRKNISXKDSQWHV-HLAWJBBLSA-N 2 1 327.516 3.962 20 0 EHADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](CC4CCCC4)C3)C2)c1 ZINC000501465739 1027295668 /nfs/dbraw/zinc/29/56/68/1027295668.db2.gz GRKNISXKDSQWHV-HLAWJBBLSA-N 2 1 327.516 3.962 20 0 EHADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000453056072 1027300539 /nfs/dbraw/zinc/30/05/39/1027300539.db2.gz FGRMSIULGBFVNE-ZWKOTPCHSA-N 2 1 338.499 3.572 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453102504 1027363326 /nfs/dbraw/zinc/36/33/26/1027363326.db2.gz PSDIGHXTRUBSHV-FQEVSTJZSA-N 2 1 349.950 3.798 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000453101956 1027364130 /nfs/dbraw/zinc/36/41/30/1027364130.db2.gz ZTWKDNQOGYRYSV-UIAACRFSSA-N 2 1 348.918 3.504 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453108815 1027378832 /nfs/dbraw/zinc/37/88/32/1027378832.db2.gz OJGQAIXJQQJHRA-HOTGVXAUSA-N 2 1 337.471 3.579 20 0 EHADMP c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cs1 ZINC000453134517 1027437887 /nfs/dbraw/zinc/43/78/87/1027437887.db2.gz GBVGBTXPIPZSBI-SLFFLAALSA-N 2 1 341.524 3.718 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000420300484 1027450022 /nfs/dbraw/zinc/45/00/22/1027450022.db2.gz HPWKRWILOULTQT-AWEZNQCLSA-N 2 1 342.430 3.508 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000420298485 1027451022 /nfs/dbraw/zinc/45/10/22/1027451022.db2.gz HFMZZKKDLSWMOD-HIFRSBDPSA-N 2 1 346.421 3.635 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)cc1 ZINC000420298485 1027451033 /nfs/dbraw/zinc/45/10/33/1027451033.db2.gz HFMZZKKDLSWMOD-HIFRSBDPSA-N 2 1 346.421 3.635 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309546 1027455886 /nfs/dbraw/zinc/45/58/86/1027455886.db2.gz OOSYORJRZAQXIL-WJPUGNRLSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309546 1027455899 /nfs/dbraw/zinc/45/58/99/1027455899.db2.gz OOSYORJRZAQXIL-WJPUGNRLSA-N 2 1 347.462 3.761 20 0 EHADMP Fc1ccc(C[N@H+](CCc2ccccn2)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420309710 1027456566 /nfs/dbraw/zinc/45/65/66/1027456566.db2.gz FCAHJYHBFFLORZ-SFHVURJKSA-N 2 1 341.474 3.655 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000273503215 1027461770 /nfs/dbraw/zinc/46/17/70/1027461770.db2.gz ZDVSPXYVXQRQDN-JFIYKMOQSA-N 2 1 329.513 3.747 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346242 1027475698 /nfs/dbraw/zinc/47/56/98/1027475698.db2.gz XWXGDVIDGOKGKD-IBGZPJMESA-N 2 1 343.515 3.521 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000342855966 1027676375 /nfs/dbraw/zinc/67/63/75/1027676375.db2.gz ANIIDLORXGQINW-UHFFFAOYSA-N 2 1 336.277 3.869 20 0 EHADMP Cc1ccc(-c2cnc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)o2)cc1 ZINC000639758272 1027705025 /nfs/dbraw/zinc/70/50/25/1027705025.db2.gz SDCREZGZLQTPAR-UHFFFAOYSA-N 2 1 325.456 3.568 20 0 EHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414656014 1027727079 /nfs/dbraw/zinc/72/70/79/1027727079.db2.gz FBCVGQSUNHKHOI-CVEARBPZSA-N 2 1 340.467 3.540 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000414659330 1027731729 /nfs/dbraw/zinc/73/17/29/1027731729.db2.gz LCOORZODZWUMCQ-DLBZAZTESA-N 2 1 340.515 3.647 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000414664101 1027756665 /nfs/dbraw/zinc/75/66/65/1027756665.db2.gz TUCSKBXMIFLBOI-FOIQADDNSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665805 1027773760 /nfs/dbraw/zinc/77/37/60/1027773760.db2.gz VYZDOIKJWXDPCD-MAUKXSAKSA-N 2 1 328.431 3.574 20 0 EHADMP c1csc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420897076 1027835937 /nfs/dbraw/zinc/83/59/37/1027835937.db2.gz CBJQMUCHUDKFNO-LJQANCHMSA-N 2 1 342.508 3.917 20 0 EHADMP c1csc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420897076 1027835958 /nfs/dbraw/zinc/83/59/58/1027835958.db2.gz CBJQMUCHUDKFNO-LJQANCHMSA-N 2 1 342.508 3.917 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000422708209 1027865904 /nfs/dbraw/zinc/86/59/04/1027865904.db2.gz IKTGINNSYMGHQB-ZLXGRDSLSA-N 2 1 344.405 3.871 20 0 EHADMP CC(C)OC1CC([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355119 1027885390 /nfs/dbraw/zinc/88/53/90/1027885390.db2.gz AYILBRVONLZGAB-SAZYNNDCSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355119 1027885413 /nfs/dbraw/zinc/88/54/13/1027885413.db2.gz AYILBRVONLZGAB-SAZYNNDCSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000459355119 1027885430 /nfs/dbraw/zinc/88/54/30/1027885430.db2.gz AYILBRVONLZGAB-SAZYNNDCSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000459355119 1027885452 /nfs/dbraw/zinc/88/54/52/1027885452.db2.gz AYILBRVONLZGAB-SAZYNNDCSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422743401 1027910334 /nfs/dbraw/zinc/91/03/34/1027910334.db2.gz INJRMBWXIYJGDO-HLRQEUIKSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422743401 1027910356 /nfs/dbraw/zinc/91/03/56/1027910356.db2.gz INJRMBWXIYJGDO-HLRQEUIKSA-N 3 1 341.543 3.722 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422784553 1027939633 /nfs/dbraw/zinc/93/96/33/1027939633.db2.gz IUCIMEIVQHPBCH-BHDDXSALSA-N 2 1 341.543 3.683 20 0 EHADMP CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2csc(C)n2)cc1 ZINC000066067916 1027942798 /nfs/dbraw/zinc/94/27/98/1027942798.db2.gz NBEXCNVPWYBRKO-SFHVURJKSA-N 2 1 345.512 3.604 20 0 EHADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422801231 1027950902 /nfs/dbraw/zinc/95/09/02/1027950902.db2.gz BLNBAQKDWDNYKN-BHIFYINESA-N 2 1 341.543 3.683 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)s2)cs1 ZINC000422798538 1027951727 /nfs/dbraw/zinc/95/17/27/1027951727.db2.gz RPZYSHSBVFOIFJ-SWLSCSKDSA-N 2 1 335.542 3.843 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000420974377 1027952898 /nfs/dbraw/zinc/95/28/98/1027952898.db2.gz DLVZEXRACRUJDG-QGZVFWFLSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)CC[N@H+]1C ZINC000120217136 1027955765 /nfs/dbraw/zinc/95/57/65/1027955765.db2.gz UXTVNHZCRRIUNW-CJNGLKHVSA-N 2 1 337.305 3.553 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422865853 1028000841 /nfs/dbraw/zinc/00/08/41/1028000841.db2.gz POQNEEIIBDXUOI-CABCVRRESA-N 3 1 349.482 3.755 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422882681 1028016837 /nfs/dbraw/zinc/01/68/37/1028016837.db2.gz PLLIWEPIJHMOCH-GFCCVEGCSA-N 2 1 348.288 3.885 20 0 EHADMP COCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422891991 1028025064 /nfs/dbraw/zinc/02/50/64/1028025064.db2.gz XFTGWNBKBRTIGK-PMACEKPBSA-N 2 1 346.515 3.675 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000444589937 1028048942 /nfs/dbraw/zinc/04/89/42/1028048942.db2.gz AGRHWRZBTJPXGV-FQEVSTJZSA-N 2 1 330.516 3.826 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]1NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963993 1028076677 /nfs/dbraw/zinc/07/66/77/1028076677.db2.gz KDMKEAAINSRZEL-DHIUTWEWSA-N 2 1 349.522 3.919 20 0 EHADMP N[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963993 1028076700 /nfs/dbraw/zinc/07/67/00/1028076700.db2.gz KDMKEAAINSRZEL-DHIUTWEWSA-N 2 1 349.522 3.919 20 0 EHADMP C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCC2)C1C[NH2+]C1 ZINC000422966148 1028079264 /nfs/dbraw/zinc/07/92/64/1028079264.db2.gz QTVJYAUISMWLAM-JLTOFOAXSA-N 2 1 326.509 3.914 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422959746 1028097562 /nfs/dbraw/zinc/09/75/62/1028097562.db2.gz UGSKPUMQFGWFIA-CVEARBPZSA-N 2 1 336.357 3.819 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000423019251 1028128766 /nfs/dbraw/zinc/12/87/66/1028128766.db2.gz UVHLRJWLYAZIIA-YRXWBPOGSA-N 2 1 328.843 3.904 20 0 EHADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CCCC2)cc1 ZINC000423042215 1028149713 /nfs/dbraw/zinc/14/97/13/1028149713.db2.gz KOCDWRJDMUPYLL-NJDAHSKKSA-N 2 1 342.527 3.536 20 0 EHADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CCCC1)c1c[nH+]ccc1N ZINC000423063333 1028156468 /nfs/dbraw/zinc/15/64/68/1028156468.db2.gz OUEMNNAZECNLOW-CYBMUJFWSA-N 2 1 331.410 3.935 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000444702097 1028177048 /nfs/dbraw/zinc/17/70/48/1028177048.db2.gz QULZOFLDKCLRLR-MRXNPFEDSA-N 2 1 325.294 3.674 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000444702097 1028177059 /nfs/dbraw/zinc/17/70/59/1028177059.db2.gz QULZOFLDKCLRLR-MRXNPFEDSA-N 2 1 325.294 3.674 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000444702097 1028177067 /nfs/dbraw/zinc/17/70/67/1028177067.db2.gz QULZOFLDKCLRLR-MRXNPFEDSA-N 2 1 325.294 3.674 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000444702097 1028177072 /nfs/dbraw/zinc/17/70/72/1028177072.db2.gz QULZOFLDKCLRLR-MRXNPFEDSA-N 2 1 325.294 3.674 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423093683 1028180354 /nfs/dbraw/zinc/18/03/54/1028180354.db2.gz IKJXRWPOYUSJCE-XNIJJKJLSA-N 2 1 341.268 3.564 20 0 EHADMP C[C@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000423100141 1028182584 /nfs/dbraw/zinc/18/25/84/1028182584.db2.gz GHQHUQJAZFBZCG-DJJJIMSYSA-N 2 1 345.874 3.966 20 0 EHADMP CC[N@@H+](Cc1ccc(OC)c(OCC(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414720593 1028244906 /nfs/dbraw/zinc/24/49/06/1028244906.db2.gz YVUXWPCMSCUVBS-GOSISDBHSA-N 2 1 334.504 3.694 20 0 EHADMP Clc1cccc2c1OCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181848 1028252474 /nfs/dbraw/zinc/25/24/74/1028252474.db2.gz DEEHPEAAHDYZOY-GOSISDBHSA-N 2 1 345.874 3.718 20 0 EHADMP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCCC1 ZINC000423198455 1028268324 /nfs/dbraw/zinc/26/83/24/1028268324.db2.gz FYCXKLIESGWAAV-MZADTFQBSA-N 2 1 341.543 3.823 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423220240 1028289011 /nfs/dbraw/zinc/28/90/11/1028289011.db2.gz VDNJAGCYHJJOTI-SRVKXCTJSA-N 2 1 329.257 3.627 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CN)C2CCCCC2)CC1 ZINC000423257795 1028320442 /nfs/dbraw/zinc/32/04/42/1028320442.db2.gz AFYYHVCRNKNBOS-HRTMPFAESA-N 2 1 343.559 3.927 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000423257795 1028320455 /nfs/dbraw/zinc/32/04/55/1028320455.db2.gz AFYYHVCRNKNBOS-HRTMPFAESA-N 3 1 343.559 3.927 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000423257795 1028320467 /nfs/dbraw/zinc/32/04/67/1028320467.db2.gz AFYYHVCRNKNBOS-HRTMPFAESA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)OC1CC([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459371920 1028323118 /nfs/dbraw/zinc/32/31/18/1028323118.db2.gz KPHNYCMAUOPOHD-UHFFFAOYSA-N 2 1 331.504 3.576 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)cc1 ZINC000423291327 1028330310 /nfs/dbraw/zinc/33/03/10/1028330310.db2.gz HWLGXEPVKLHNFS-CVEARBPZSA-N 2 1 334.467 3.958 20 0 EHADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423304770 1028359368 /nfs/dbraw/zinc/35/93/68/1028359368.db2.gz ZKGJPYZETWJZAT-MHTWAQMVSA-N 2 1 329.532 3.537 20 0 EHADMP Cc1ccc(C(=O)CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000161920279 1028361024 /nfs/dbraw/zinc/36/10/24/1028361024.db2.gz ISLHGJSHPMLAJZ-MJGOQNOKSA-N 2 1 328.500 3.810 20 0 EHADMP Fc1cc(Br)ccc1[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423363225 1028390182 /nfs/dbraw/zinc/39/01/82/1028390182.db2.gz NSZUOUNTTNYRLC-CZUORRHYSA-N 2 1 341.268 3.771 20 0 EHADMP CC[N@@H+](CCC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000414741076 1028415462 /nfs/dbraw/zinc/41/54/62/1028415462.db2.gz HAUIKEXFDUSOHN-ZDUSSCGKSA-N 2 1 329.307 3.657 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423408102 1028424400 /nfs/dbraw/zinc/42/44/00/1028424400.db2.gz WXLHBVGZRZWHHD-NIKGAXFTSA-N 2 1 346.421 3.965 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cc1 ZINC000423444930 1028431704 /nfs/dbraw/zinc/43/17/04/1028431704.db2.gz XZDFQPIFBBSECB-OPAMFIHVSA-N 2 1 346.478 3.718 20 0 EHADMP Clc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423445143 1028435161 /nfs/dbraw/zinc/43/51/61/1028435161.db2.gz XNVZSROFZBCNAI-CTASWTNQSA-N 2 1 345.899 3.648 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]1 ZINC000414744134 1028440133 /nfs/dbraw/zinc/44/01/33/1028440133.db2.gz HXEDIVIZXVXCPV-ILXRZTDVSA-N 2 1 331.435 3.534 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423505804 1028469521 /nfs/dbraw/zinc/46/95/21/1028469521.db2.gz GRWXUUYWPFQWAU-BBRMVZONSA-N 2 1 334.460 3.583 20 0 EHADMP CCSc1ccccc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423506409 1028472944 /nfs/dbraw/zinc/47/29/44/1028472944.db2.gz IVCGKVSUIJXLLO-AOCRQIFASA-N 2 1 347.572 3.666 20 0 EHADMP c1csc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCCC2)c1 ZINC000423523924 1028498517 /nfs/dbraw/zinc/49/85/17/1028498517.db2.gz WKFSKIIKDDIGFR-AFMYVXGZSA-N 2 1 347.572 3.785 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCC2)cc1Br ZINC000423535302 1028503474 /nfs/dbraw/zinc/50/34/74/1028503474.db2.gz XJLSMDPZKKGTRM-IAQYHMDHSA-N 2 1 341.293 3.626 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1Br ZINC000423535302 1028503487 /nfs/dbraw/zinc/50/34/87/1028503487.db2.gz XJLSMDPZKKGTRM-IAQYHMDHSA-N 2 1 341.293 3.626 20 0 EHADMP Fc1cc(Br)ccc1[C@H]([NH2+]CCC[NH2+]C1CC1)C1CC1 ZINC000423547234 1028512347 /nfs/dbraw/zinc/51/23/47/1028512347.db2.gz FXXODESIUMTWEO-MRXNPFEDSA-N 2 1 341.268 3.771 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072823585 1028521135 /nfs/dbraw/zinc/52/11/35/1028521135.db2.gz MZSQYCRCOVSGCO-HXUWFJFHSA-N 2 1 340.515 3.653 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072823585 1028521150 /nfs/dbraw/zinc/52/11/50/1028521150.db2.gz MZSQYCRCOVSGCO-HXUWFJFHSA-N 2 1 340.515 3.653 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)C ZINC000195136113 1028585033 /nfs/dbraw/zinc/58/50/33/1028585033.db2.gz MKRAVDUAGXPTEF-YLJYHZDGSA-N 2 1 340.515 3.945 20 0 EHADMP COc1ccc(CCC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000502715472 1028591988 /nfs/dbraw/zinc/59/19/88/1028591988.db2.gz JJZITLRRNNYREU-FQEVSTJZSA-N 2 1 330.516 3.824 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237526945 1028652809 /nfs/dbraw/zinc/65/28/09/1028652809.db2.gz HLXRJVOOIPVQOO-JXFKEZNVSA-N 2 1 337.467 3.700 20 0 EHADMP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168266025 1028688401 /nfs/dbraw/zinc/68/84/01/1028688401.db2.gz ZZWVVGCKTMRHKU-HMXCVIKNSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168266025 1028688404 /nfs/dbraw/zinc/68/84/04/1028688404.db2.gz ZZWVVGCKTMRHKU-HMXCVIKNSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168266025 1028688414 /nfs/dbraw/zinc/68/84/14/1028688414.db2.gz ZZWVVGCKTMRHKU-HMXCVIKNSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168266025 1028688420 /nfs/dbraw/zinc/68/84/20/1028688420.db2.gz ZZWVVGCKTMRHKU-HMXCVIKNSA-N 2 1 328.500 3.713 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122614299 1028690548 /nfs/dbraw/zinc/69/05/48/1028690548.db2.gz NVAARRLRMDFXDX-LJQANCHMSA-N 2 1 339.527 3.643 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000246983914 1028723662 /nfs/dbraw/zinc/72/36/62/1028723662.db2.gz JUJHOCBFIJJXPH-QEJZJMRPSA-N 2 1 328.378 3.863 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247040563 1028733094 /nfs/dbraw/zinc/73/30/94/1028733094.db2.gz LRVSFUBYSDAULI-GRXQJBFDSA-N 2 1 340.515 3.536 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000247141865 1028750374 /nfs/dbraw/zinc/75/03/74/1028750374.db2.gz WEETWLUBVGOWBE-OWCLPIDISA-N 2 1 347.528 3.836 20 0 EHADMP COc1ccc(CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC(C)C)cc1OC ZINC000502887924 1028785569 /nfs/dbraw/zinc/78/55/69/1028785569.db2.gz KIXGYJVOFGBJRG-IBGZPJMESA-N 2 1 348.531 3.689 20 0 EHADMP COc1ccc(CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC(C)C)cc1OC ZINC000502887924 1028785584 /nfs/dbraw/zinc/78/55/84/1028785584.db2.gz KIXGYJVOFGBJRG-IBGZPJMESA-N 2 1 348.531 3.689 20 0 EHADMP COc1ccc(CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC(C)C)cc1OC ZINC000502887924 1028785590 /nfs/dbraw/zinc/78/55/90/1028785590.db2.gz KIXGYJVOFGBJRG-IBGZPJMESA-N 2 1 348.531 3.689 20 0 EHADMP CC(C)n1cncc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424149127 1028838066 /nfs/dbraw/zinc/83/80/66/1028838066.db2.gz BBSOSFDWYRVJFA-QUCCMNQESA-N 2 1 340.515 3.854 20 0 EHADMP CC[N@H+]1CC[C@H](NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000248172025 1028855335 /nfs/dbraw/zinc/85/53/35/1028855335.db2.gz UYBVQXMIHZDDCZ-UEXGIBASSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567807 1028856683 /nfs/dbraw/zinc/85/66/83/1028856683.db2.gz UWONLHHUZYNXHY-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567807 1028856698 /nfs/dbraw/zinc/85/66/98/1028856698.db2.gz UWONLHHUZYNXHY-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567807 1028856715 /nfs/dbraw/zinc/85/67/15/1028856715.db2.gz UWONLHHUZYNXHY-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000245567807 1028856726 /nfs/dbraw/zinc/85/67/26/1028856726.db2.gz UWONLHHUZYNXHY-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)[C@@H](C)C1 ZINC000245608152 1028919487 /nfs/dbraw/zinc/91/94/87/1028919487.db2.gz RVDWYTOKWJNPOP-ORYQWCPZSA-N 2 1 348.506 3.930 20 0 EHADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524155910 1028922913 /nfs/dbraw/zinc/92/29/13/1028922913.db2.gz QALYKWSRUSELSG-MRXNPFEDSA-N 2 1 349.494 3.513 20 0 EHADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524155910 1028922921 /nfs/dbraw/zinc/92/29/21/1028922921.db2.gz QALYKWSRUSELSG-MRXNPFEDSA-N 2 1 349.494 3.513 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424298288 1028938382 /nfs/dbraw/zinc/93/83/82/1028938382.db2.gz UGZZKPAVPJPTGB-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC000424296363 1028939014 /nfs/dbraw/zinc/93/90/14/1028939014.db2.gz FSMMZXFQJODKFA-RQXATKFSSA-N 2 1 330.516 3.690 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OCC(C)C ZINC000414781589 1028939329 /nfs/dbraw/zinc/93/93/29/1028939329.db2.gz NFZCLIWDIDBTMB-OALUTQOASA-N 2 1 346.515 3.552 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000248739092 1028945097 /nfs/dbraw/zinc/94/50/97/1028945097.db2.gz PRVXTTINIIMTKY-LELZANKISA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000248739092 1028945115 /nfs/dbraw/zinc/94/51/15/1028945115.db2.gz PRVXTTINIIMTKY-LELZANKISA-N 2 1 340.511 3.587 20 0 EHADMP CCC[N@H+]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665566 1028987772 /nfs/dbraw/zinc/98/77/72/1028987772.db2.gz GOGVKNQKSDTXNJ-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665566 1028987787 /nfs/dbraw/zinc/98/77/87/1028987787.db2.gz GOGVKNQKSDTXNJ-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665566 1028987806 /nfs/dbraw/zinc/98/78/06/1028987806.db2.gz GOGVKNQKSDTXNJ-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665566 1028987822 /nfs/dbraw/zinc/98/78/22/1028987822.db2.gz GOGVKNQKSDTXNJ-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665566 1028987834 /nfs/dbraw/zinc/98/78/34/1028987834.db2.gz GOGVKNQKSDTXNJ-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665566 1028987847 /nfs/dbraw/zinc/98/78/47/1028987847.db2.gz GOGVKNQKSDTXNJ-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665566 1028987863 /nfs/dbraw/zinc/98/78/63/1028987863.db2.gz GOGVKNQKSDTXNJ-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP CC(C)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245684388 1029003055 /nfs/dbraw/zinc/00/30/55/1029003055.db2.gz JIJKMTQCCSXLFN-KOUNCHBCSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccncc3)cc1F)CC[NH2+]CC2 ZINC000424375105 1029033627 /nfs/dbraw/zinc/03/36/27/1029033627.db2.gz JJWBGSWTIZGWSA-INIZCTEOSA-N 2 1 339.458 3.852 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000509976486 1029106631 /nfs/dbraw/zinc/10/66/31/1029106631.db2.gz LPSRDELKDBEGQJ-GOSISDBHSA-N 2 1 338.495 3.886 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000261624260 1029118224 /nfs/dbraw/zinc/11/82/24/1029118224.db2.gz CKARQJWFHIUNDH-CGTJXYLNSA-N 2 1 327.497 3.678 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000261624260 1029118229 /nfs/dbraw/zinc/11/82/29/1029118229.db2.gz CKARQJWFHIUNDH-CGTJXYLNSA-N 2 1 327.497 3.678 20 0 EHADMP CC(C)([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414798718 1029132782 /nfs/dbraw/zinc/13/27/82/1029132782.db2.gz FNOLKNWVKOKHGV-UHFFFAOYSA-N 2 1 338.430 3.505 20 0 EHADMP CCOc1ccc([C@@H](CC)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000271823926 1029189229 /nfs/dbraw/zinc/18/92/29/1029189229.db2.gz CUBUTUUHXVNIDJ-GOSISDBHSA-N 2 1 332.488 3.787 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(Br)CC2)CC1 ZINC001167658874 1029196720 /nfs/dbraw/zinc/19/67/20/1029196720.db2.gz LRUXXUDTPYLFQO-HNNXBMFYSA-N 2 1 343.353 3.890 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271849257 1029198553 /nfs/dbraw/zinc/19/85/53/1029198553.db2.gz ZMJVUGGAUQFDEV-INIZCTEOSA-N 2 1 336.439 3.516 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000628204194 1029254656 /nfs/dbraw/zinc/25/46/56/1029254656.db2.gz ODNLQEYEAQRPKG-HZPDHXFCSA-N 2 1 327.472 3.751 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245764492 1029263297 /nfs/dbraw/zinc/26/32/97/1029263297.db2.gz WDQOSJPMAQCBPU-FFGOWVMKSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000414808518 1029274824 /nfs/dbraw/zinc/27/48/24/1029274824.db2.gz KVNFTSSFOYPNPS-XCYUPCBOSA-N 3 1 349.522 3.707 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C(C)C)C3CC3)CC2)cs1 ZINC000161794457 1029291645 /nfs/dbraw/zinc/29/16/45/1029291645.db2.gz UHBDSOHWVRTHDH-LJQANCHMSA-N 2 1 335.561 3.942 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000414813528 1029309567 /nfs/dbraw/zinc/30/95/67/1029309567.db2.gz TYHXYILCHBAZGY-LLGFUMIMSA-N 3 1 329.532 3.839 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164172 1029339783 /nfs/dbraw/zinc/33/97/83/1029339783.db2.gz GNFISHKJWROWOJ-FXAWDEMLSA-N 2 1 348.494 3.574 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000272343152 1029423907 /nfs/dbraw/zinc/42/39/07/1029423907.db2.gz BYOOFACJCPZCDI-RTWAWAEBSA-N 2 1 346.490 3.588 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261538275 1029447031 /nfs/dbraw/zinc/44/70/31/1029447031.db2.gz VAZJTGLSUWRUGD-WIYYLYMNSA-N 2 1 329.532 3.551 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272724596 1029581108 /nfs/dbraw/zinc/58/11/08/1029581108.db2.gz YIIQZTILJHCOMJ-FTRWYGJKSA-N 2 1 328.500 3.925 20 0 EHADMP c1csc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000657750744 1029630022 /nfs/dbraw/zinc/63/00/22/1029630022.db2.gz CDLYLCLGLQAZOF-LJQANCHMSA-N 2 1 342.508 3.758 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001279615016 1029637931 /nfs/dbraw/zinc/63/79/31/1029637931.db2.gz JBYCUSXANACMLC-HXUWFJFHSA-N 3 1 349.607 3.990 20 0 EHADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703439 1029759457 /nfs/dbraw/zinc/75/94/57/1029759457.db2.gz YDRBMWLMLUTAMT-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H](NCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703439 1029759467 /nfs/dbraw/zinc/75/94/67/1029759467.db2.gz YDRBMWLMLUTAMT-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H](NCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703439 1029759475 /nfs/dbraw/zinc/75/94/75/1029759475.db2.gz YDRBMWLMLUTAMT-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720495 1029793714 /nfs/dbraw/zinc/79/37/14/1029793714.db2.gz MZCPLKOEIBVNTK-FDDCHVKYSA-N 2 1 334.507 3.902 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000274311489 1029839823 /nfs/dbraw/zinc/83/98/23/1029839823.db2.gz VIAZZXNNYIBKGW-QYRPDUKASA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000274311489 1029839829 /nfs/dbraw/zinc/83/98/29/1029839829.db2.gz VIAZZXNNYIBKGW-QYRPDUKASA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000287594010 1029846490 /nfs/dbraw/zinc/84/64/90/1029846490.db2.gz IEJHVYGFODTPHX-OIISXLGYSA-N 2 1 344.421 3.597 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000447085121 1029910994 /nfs/dbraw/zinc/91/09/94/1029910994.db2.gz HEWCUIBAVYXZHC-KRWDZBQOSA-N 2 1 334.467 3.947 20 0 EHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650707297 1030014359 /nfs/dbraw/zinc/01/43/59/1030014359.db2.gz CMZVLAZRSSCLFC-PCCBWWKXSA-N 2 1 330.516 3.571 20 0 EHADMP Cc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650708929 1030032731 /nfs/dbraw/zinc/03/27/31/1030032731.db2.gz VXUSORUKFLURPP-PMUMKWKESA-N 2 1 340.870 3.506 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000157795514 1030088047 /nfs/dbraw/zinc/08/80/47/1030088047.db2.gz DJSLGFBJMYZYMC-AFVSCTSBSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000157795514 1030088065 /nfs/dbraw/zinc/08/80/65/1030088065.db2.gz DJSLGFBJMYZYMC-AFVSCTSBSA-N 2 1 337.305 3.767 20 0 EHADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000453324211 1030104068 /nfs/dbraw/zinc/10/40/68/1030104068.db2.gz QLWZMIPKSJOISX-AITUJVMLSA-N 2 1 336.907 3.532 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928140 1030127979 /nfs/dbraw/zinc/12/79/79/1030127979.db2.gz QXJXDYPRQNTUQI-CABCVRRESA-N 2 1 328.422 3.958 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2C)[C@H](C)C1 ZINC000482022878 1030166236 /nfs/dbraw/zinc/16/62/36/1030166236.db2.gz VEAQSFCHGWSZJJ-CTNGQTDRSA-N 2 1 346.559 3.999 20 0 EHADMP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000453373068 1030192716 /nfs/dbraw/zinc/19/27/16/1030192716.db2.gz OKYRIOUTVMQRQO-JDCPMNFLSA-N 2 1 328.500 3.585 20 0 EHADMP CO[C@@H]([C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000453373062 1030192878 /nfs/dbraw/zinc/19/28/78/1030192878.db2.gz OKYRIOUTVMQRQO-GRARQNNCSA-N 2 1 328.500 3.585 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C(F)(F)F)c2)C1 ZINC000650722595 1030195351 /nfs/dbraw/zinc/19/53/51/1030195351.db2.gz XORDHHUVYUEDPL-IKGGRYGDSA-N 2 1 342.405 3.566 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCOCC2CCCC2)C3)cc1 ZINC000453398023 1030207227 /nfs/dbraw/zinc/20/72/27/1030207227.db2.gz MIVGVZGKHXAEAK-DKUWSORSSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)oc2cc1C ZINC000650723929 1030217824 /nfs/dbraw/zinc/21/78/24/1030217824.db2.gz VXOLSONIYGMZMU-QFUCXCTJSA-N 2 1 342.483 3.910 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3csc(C)n3)C2)s1 ZINC000583591417 1030220868 /nfs/dbraw/zinc/22/08/68/1030220868.db2.gz PITIJEULQYKSJH-MRXNPFEDSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3csc(C)n3)C2)s1 ZINC000583591417 1030220883 /nfs/dbraw/zinc/22/08/83/1030220883.db2.gz PITIJEULQYKSJH-MRXNPFEDSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3csc(C)n3)C2)s1 ZINC000583591417 1030220896 /nfs/dbraw/zinc/22/08/96/1030220896.db2.gz PITIJEULQYKSJH-MRXNPFEDSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3csc(C)n3)C2)s1 ZINC000583591417 1030220915 /nfs/dbraw/zinc/22/09/15/1030220915.db2.gz PITIJEULQYKSJH-MRXNPFEDSA-N 2 1 349.569 3.818 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2CCOCC2)C3)cc1 ZINC000447530341 1030252891 /nfs/dbraw/zinc/25/28/91/1030252891.db2.gz NVKDKIYPOLWEPJ-MZADTFQBSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1ccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000453420380 1030271000 /nfs/dbraw/zinc/27/10/00/1030271000.db2.gz KGXRKJBOIJJLQP-UHFFFAOYSA-N 2 1 337.511 3.965 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000482229466 1030271027 /nfs/dbraw/zinc/27/10/27/1030271027.db2.gz NVHWCNJACQLSJV-LJQANCHMSA-N 2 1 330.516 3.512 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000482236034 1030279154 /nfs/dbraw/zinc/27/91/54/1030279154.db2.gz ABBXJPIDNQNKHJ-UHFFFAOYSA-N 2 1 338.495 3.796 20 0 EHADMP CC(C)CCc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121605488 1030305499 /nfs/dbraw/zinc/30/54/99/1030305499.db2.gz NSGPAAYBSMYIGT-UHFFFAOYSA-N 2 1 348.535 3.746 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C/c1ccc(Cl)cc1 ZINC000526056987 1030396464 /nfs/dbraw/zinc/39/64/64/1030396464.db2.gz NDBRGAJXSKGDSB-QJBHJQBQSA-N 2 1 334.891 3.537 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C/c1ccc(Cl)cc1 ZINC000526056987 1030396480 /nfs/dbraw/zinc/39/64/80/1030396480.db2.gz NDBRGAJXSKGDSB-QJBHJQBQSA-N 2 1 334.891 3.537 20 0 EHADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1C ZINC000447745181 1030464065 /nfs/dbraw/zinc/46/40/65/1030464065.db2.gz LWMRCZHFJGXUNZ-NRFANRHFSA-N 2 1 338.495 3.958 20 0 EHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000447745181 1030464071 /nfs/dbraw/zinc/46/40/71/1030464071.db2.gz LWMRCZHFJGXUNZ-NRFANRHFSA-N 2 1 338.495 3.958 20 0 EHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000447745181 1030464083 /nfs/dbraw/zinc/46/40/83/1030464083.db2.gz LWMRCZHFJGXUNZ-NRFANRHFSA-N 2 1 338.495 3.958 20 0 EHADMP CC(C)CC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000482671388 1030628925 /nfs/dbraw/zinc/62/89/25/1030628925.db2.gz NGTGOGYHQBGRCP-OAQYLSRUSA-N 2 1 332.532 3.628 20 0 EHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892354836 1030645214 /nfs/dbraw/zinc/64/52/14/1030645214.db2.gz JPOCAFLVWNYRCX-YQQQUEKLSA-N 2 1 345.556 3.581 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000093770375 1030670405 /nfs/dbraw/zinc/67/04/05/1030670405.db2.gz YWAUUQRBDPKPTB-IBGZPJMESA-N 2 1 348.494 3.799 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000093770375 1030670413 /nfs/dbraw/zinc/67/04/13/1030670413.db2.gz YWAUUQRBDPKPTB-IBGZPJMESA-N 2 1 348.494 3.799 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000093770375 1030670421 /nfs/dbraw/zinc/67/04/21/1030670421.db2.gz YWAUUQRBDPKPTB-IBGZPJMESA-N 2 1 348.494 3.799 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000151137683 1030691575 /nfs/dbraw/zinc/69/15/75/1030691575.db2.gz UYTMPRGKKUMLMC-STQMWFEESA-N 2 1 330.394 3.810 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000151137683 1030691581 /nfs/dbraw/zinc/69/15/81/1030691581.db2.gz UYTMPRGKKUMLMC-STQMWFEESA-N 2 1 330.394 3.810 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000170702189 1030698782 /nfs/dbraw/zinc/69/87/82/1030698782.db2.gz JYZVGZCZUKCFCC-IBGZPJMESA-N 2 1 337.467 3.858 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000650756718 1030775959 /nfs/dbraw/zinc/77/59/59/1030775959.db2.gz IJHRBQNADVDSIO-WBDAEOGXSA-N 3 1 349.522 3.691 20 0 EHADMP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000650756718 1030775972 /nfs/dbraw/zinc/77/59/72/1030775972.db2.gz IJHRBQNADVDSIO-WBDAEOGXSA-N 2 1 349.522 3.691 20 0 EHADMP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000650756718 1030775988 /nfs/dbraw/zinc/77/59/88/1030775988.db2.gz IJHRBQNADVDSIO-WBDAEOGXSA-N 2 1 349.522 3.691 20 0 EHADMP COC[C@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000482894526 1030793641 /nfs/dbraw/zinc/79/36/41/1030793641.db2.gz CIGMPWCOQFUERK-ASJDWODUSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000482977632 1030876012 /nfs/dbraw/zinc/87/60/12/1030876012.db2.gz GBZQBIMQROWWIG-VWKPWSFCSA-N 2 1 346.490 3.634 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000568169285 1030920268 /nfs/dbraw/zinc/92/02/68/1030920268.db2.gz GNZHASSTJBEPAZ-AWEZNQCLSA-N 2 1 335.854 3.852 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000568169285 1030920284 /nfs/dbraw/zinc/92/02/84/1030920284.db2.gz GNZHASSTJBEPAZ-AWEZNQCLSA-N 2 1 335.854 3.852 20 0 EHADMP Cc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000527534849 1030954933 /nfs/dbraw/zinc/95/49/33/1030954933.db2.gz NNQDUIFPBGNNCS-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000527534849 1030954949 /nfs/dbraw/zinc/95/49/49/1030954949.db2.gz NNQDUIFPBGNNCS-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000527534849 1030954966 /nfs/dbraw/zinc/95/49/66/1030954966.db2.gz NNQDUIFPBGNNCS-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccn1 ZINC000527534849 1030954978 /nfs/dbraw/zinc/95/49/78/1030954978.db2.gz NNQDUIFPBGNNCS-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)oc2cc1C ZINC000537692667 1030975106 /nfs/dbraw/zinc/97/51/06/1030975106.db2.gz KZFGTQIBWYLZJF-SLYNCCJLSA-N 2 1 342.483 3.733 20 0 EHADMP Cc1cc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)oc2cc1C ZINC000537692667 1030975114 /nfs/dbraw/zinc/97/51/14/1030975114.db2.gz KZFGTQIBWYLZJF-SLYNCCJLSA-N 2 1 342.483 3.733 20 0 EHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476979300 1031146069 /nfs/dbraw/zinc/14/60/69/1031146069.db2.gz DRMALCUHQUQLBS-IAGOWNOFSA-N 2 1 338.536 3.693 20 0 EHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476979300 1031146079 /nfs/dbraw/zinc/14/60/79/1031146079.db2.gz DRMALCUHQUQLBS-IAGOWNOFSA-N 2 1 338.536 3.693 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@]1(C)CCCO1 ZINC000551265869 1031179212 /nfs/dbraw/zinc/17/92/12/1031179212.db2.gz QMSNPWUMDFWPRE-LQWHRVPQSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CCCO1 ZINC000527893288 1031387026 /nfs/dbraw/zinc/38/70/26/1031387026.db2.gz DKYFCLKJEGMUDN-SCLBCKFNSA-N 2 1 340.870 3.557 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC/C=C/c2ccc(Br)cc2)CC[N@H+]1C ZINC000527928719 1031431551 /nfs/dbraw/zinc/43/15/51/1031431551.db2.gz GTUYPOMAUJTQNZ-QODHUSCHSA-N 2 1 337.305 3.925 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000484130342 1031462285 /nfs/dbraw/zinc/46/22/85/1031462285.db2.gz MFNGZYXXJAJMNY-WSTZPKSXSA-N 2 1 329.532 3.580 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000484142746 1031466478 /nfs/dbraw/zinc/46/64/78/1031466478.db2.gz ZVVBMLFXPLBOLW-ZJOUEHCJSA-N 2 1 332.532 3.825 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2CCC)cc1 ZINC000343579288 1031471078 /nfs/dbraw/zinc/47/10/78/1031471078.db2.gz VICVOGQXWOYPGQ-HXUWFJFHSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC)cc1 ZINC000343579288 1031471093 /nfs/dbraw/zinc/47/10/93/1031471093.db2.gz VICVOGQXWOYPGQ-HXUWFJFHSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCC)cc1 ZINC000343579288 1031471104 /nfs/dbraw/zinc/47/11/04/1031471104.db2.gz VICVOGQXWOYPGQ-HXUWFJFHSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000484163691 1031483533 /nfs/dbraw/zinc/48/35/33/1031483533.db2.gz LWKOFXJKGDWUCW-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000484163691 1031483543 /nfs/dbraw/zinc/48/35/43/1031483543.db2.gz LWKOFXJKGDWUCW-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278615781 1031644791 /nfs/dbraw/zinc/64/47/91/1031644791.db2.gz FYPBSSOTMMVVBY-MLZLACJZSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000178701837 1031718275 /nfs/dbraw/zinc/71/82/75/1031718275.db2.gz CXTCHENNIQCNTC-LIRRHRJNSA-N 2 1 327.472 3.948 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000179109094 1031750897 /nfs/dbraw/zinc/75/08/97/1031750897.db2.gz NFQCSPGSPYHIAD-FOIQADDNSA-N 2 1 339.483 3.820 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC)[C@@H](C)C1 ZINC000484637640 1031805742 /nfs/dbraw/zinc/80/57/42/1031805742.db2.gz JGYODJZOKITTTN-ICSRJNTNSA-N 2 1 348.531 3.620 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC)[C@@H](C)C1 ZINC000484637640 1031805759 /nfs/dbraw/zinc/80/57/59/1031805759.db2.gz JGYODJZOKITTTN-ICSRJNTNSA-N 2 1 348.531 3.620 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484648647 1031839484 /nfs/dbraw/zinc/83/94/84/1031839484.db2.gz LDBISCZUUVTYJZ-UXHICEINSA-N 2 1 327.472 3.870 20 0 EHADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000353516721 1031938415 /nfs/dbraw/zinc/93/84/15/1031938415.db2.gz JIVGUGZMYXBTLA-AWEZNQCLSA-N 2 1 326.506 3.694 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCCC[NH+]2C)CC1)CC1CC1 ZINC000537845357 1031959542 /nfs/dbraw/zinc/95/95/42/1031959542.db2.gz DQPZJMMEKMIUAU-NRFANRHFSA-N 3 1 335.580 3.695 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1)CC1CC1 ZINC000537845357 1031959562 /nfs/dbraw/zinc/95/95/62/1031959562.db2.gz DQPZJMMEKMIUAU-NRFANRHFSA-N 3 1 335.580 3.695 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1)CC1CC1 ZINC000537845357 1031959588 /nfs/dbraw/zinc/95/95/88/1031959588.db2.gz DQPZJMMEKMIUAU-NRFANRHFSA-N 3 1 335.580 3.695 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1)CC1CC1 ZINC000537845357 1031959611 /nfs/dbraw/zinc/95/96/11/1031959611.db2.gz DQPZJMMEKMIUAU-NRFANRHFSA-N 2 1 335.580 3.695 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1)CC1CC1 ZINC000537845357 1031959629 /nfs/dbraw/zinc/95/96/29/1031959629.db2.gz DQPZJMMEKMIUAU-NRFANRHFSA-N 2 1 335.580 3.695 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000537951134 1032036381 /nfs/dbraw/zinc/03/63/81/1032036381.db2.gz ZRQGVLMIQNHRAW-CTNGQTDRSA-N 2 1 344.543 3.736 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412294 1033297152 /nfs/dbraw/zinc/29/71/52/1033297152.db2.gz DCIVJNYXTNWIBD-SJORKVTESA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412294 1033297164 /nfs/dbraw/zinc/29/71/64/1033297164.db2.gz DCIVJNYXTNWIBD-SJORKVTESA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412294 1033297175 /nfs/dbraw/zinc/29/71/75/1033297175.db2.gz DCIVJNYXTNWIBD-SJORKVTESA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412294 1033297187 /nfs/dbraw/zinc/29/71/87/1033297187.db2.gz DCIVJNYXTNWIBD-SJORKVTESA-N 2 1 329.513 3.966 20 0 EHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457295 1033347322 /nfs/dbraw/zinc/34/73/22/1033347322.db2.gz AAWVAYXABXNYAT-TZIWHRDSSA-N 2 1 335.580 3.859 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000685463122 1033358638 /nfs/dbraw/zinc/35/86/38/1033358638.db2.gz JCEQAVZDILBXCN-FQEVSTJZSA-N 2 1 330.516 3.899 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000708574446 1033427684 /nfs/dbraw/zinc/42/76/84/1033427684.db2.gz OCUZQHHAKZDXPS-MAUKXSAKSA-N 2 1 330.422 3.823 20 0 EHADMP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000594622850 1033466580 /nfs/dbraw/zinc/46/65/80/1033466580.db2.gz HDNZJLNENXEFID-HXUWFJFHSA-N 2 1 346.515 3.607 20 0 EHADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000595035623 1033655105 /nfs/dbraw/zinc/65/51/05/1033655105.db2.gz YIJCUKZHJBLRNG-ULQDDVLXSA-N 2 1 338.536 3.597 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669684341 1033675360 /nfs/dbraw/zinc/67/53/60/1033675360.db2.gz HTBPVTWQKIUWDU-AYWYSENESA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000685665219 1033714264 /nfs/dbraw/zinc/71/42/64/1033714264.db2.gz OINCMFZFGPYXJQ-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497437 1033725388 /nfs/dbraw/zinc/72/53/88/1033725388.db2.gz SSSXSWWECLSLSQ-AZUAARDMSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497437 1033725403 /nfs/dbraw/zinc/72/54/03/1033725403.db2.gz SSSXSWWECLSLSQ-AZUAARDMSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497437 1033725416 /nfs/dbraw/zinc/72/54/16/1033725416.db2.gz SSSXSWWECLSLSQ-AZUAARDMSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497437 1033725429 /nfs/dbraw/zinc/72/54/29/1033725429.db2.gz SSSXSWWECLSLSQ-AZUAARDMSA-N 2 1 329.532 3.839 20 0 EHADMP CC(C)[C@H]1C[NH+](CCCC[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577916 1033772633 /nfs/dbraw/zinc/77/26/33/1033772633.db2.gz UXVLSSZCABWIBI-QZTJIDSGSA-N 2 1 344.634 3.913 20 0 EHADMP CC(C)[C@@H]1C[NH+](CCCC[N@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000608577917 1033773710 /nfs/dbraw/zinc/77/37/10/1033773710.db2.gz UXVLSSZCABWIBI-ROUUACIJSA-N 2 1 344.634 3.913 20 0 EHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550644646 1033808904 /nfs/dbraw/zinc/80/89/04/1033808904.db2.gz WMSCCXJJWSHIKZ-YHELAOLJSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550644646 1033808915 /nfs/dbraw/zinc/80/89/15/1033808915.db2.gz WMSCCXJJWSHIKZ-YHELAOLJSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550644646 1033808930 /nfs/dbraw/zinc/80/89/30/1033808930.db2.gz WMSCCXJJWSHIKZ-YHELAOLJSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658061948 1033876912 /nfs/dbraw/zinc/87/69/12/1033876912.db2.gz PWYAJMWWNTXODW-RXVVDRJESA-N 2 1 343.559 3.544 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000658061948 1033876925 /nfs/dbraw/zinc/87/69/25/1033876925.db2.gz PWYAJMWWNTXODW-RXVVDRJESA-N 2 1 343.559 3.544 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@H]1c1ccccc1 ZINC000550702770 1033893013 /nfs/dbraw/zinc/89/30/13/1033893013.db2.gz CDPNNQBBVGOLSG-ROUUACIJSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@H]1c1ccccc1 ZINC000550702770 1033893026 /nfs/dbraw/zinc/89/30/26/1033893026.db2.gz CDPNNQBBVGOLSG-ROUUACIJSA-N 2 1 345.874 3.539 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C)c1 ZINC000658134721 1033971669 /nfs/dbraw/zinc/97/16/69/1033971669.db2.gz BGMFAEXPCFSTKM-YADHBBJMSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000658137460 1033999766 /nfs/dbraw/zinc/99/97/66/1033999766.db2.gz GWKUTGYFLHUBKE-RXVVDRJESA-N 2 1 338.495 3.721 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000534063999 1034063922 /nfs/dbraw/zinc/06/39/22/1034063922.db2.gz ZTEQVOAYWZPPSH-PMXSJFBMSA-N 2 1 342.527 3.834 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534059109 1034087047 /nfs/dbraw/zinc/08/70/47/1034087047.db2.gz UJBXKMLDRZNOBO-HNNXBMFYSA-N 2 1 343.696 3.774 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230308 1034093110 /nfs/dbraw/zinc/09/31/10/1034093110.db2.gz XTHHVCFAVSTNKG-SJORKVTESA-N 2 1 340.515 3.881 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230308 1034093127 /nfs/dbraw/zinc/09/31/27/1034093127.db2.gz XTHHVCFAVSTNKG-SJORKVTESA-N 2 1 340.515 3.881 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)C1 ZINC000529535332 1034124934 /nfs/dbraw/zinc/12/49/34/1034124934.db2.gz RPHSMOAHLLYQRP-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450325821 1034140167 /nfs/dbraw/zinc/14/01/67/1034140167.db2.gz VQHZYAVMTLSULG-JAXLGGSGSA-N 2 1 344.543 3.595 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319756 1034196271 /nfs/dbraw/zinc/19/62/71/1034196271.db2.gz IFMZGXVTZIZKAL-LPHOPBHVSA-N 2 1 338.499 3.671 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)cc2Br)C1 ZINC000537620875 1034222515 /nfs/dbraw/zinc/22/25/15/1034222515.db2.gz ZDBZTAREVMLVHM-OAHLLOKOSA-N 2 1 339.321 3.921 20 0 EHADMP COCCCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000892445826 1034351241 /nfs/dbraw/zinc/35/12/41/1034351241.db2.gz BDTXKTLAERFDQD-UHFFFAOYSA-N 2 1 330.516 3.838 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340224497 1034475669 /nfs/dbraw/zinc/47/56/69/1034475669.db2.gz AMQLCWSAMYUHOK-UXHICEINSA-N 2 1 338.499 3.699 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340224497 1034475674 /nfs/dbraw/zinc/47/56/74/1034475674.db2.gz AMQLCWSAMYUHOK-UXHICEINSA-N 2 1 338.499 3.699 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340309515 1034489973 /nfs/dbraw/zinc/48/99/73/1034489973.db2.gz OVPXMYSRBMTNOM-CCKFTAQKSA-N 2 1 327.472 3.820 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340309515 1034489977 /nfs/dbraw/zinc/48/99/77/1034489977.db2.gz OVPXMYSRBMTNOM-CCKFTAQKSA-N 2 1 327.472 3.820 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCC3CCOCC3)CC23CC3)cc1 ZINC000569724439 1034615622 /nfs/dbraw/zinc/61/56/22/1034615622.db2.gz ZAPQVHMRKBHFFW-OAQYLSRUSA-N 2 1 342.527 3.980 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCC3CCOCC3)CC23CC3)cc1 ZINC000569724439 1034615630 /nfs/dbraw/zinc/61/56/30/1034615630.db2.gz ZAPQVHMRKBHFFW-OAQYLSRUSA-N 2 1 342.527 3.980 20 0 EHADMP c1nc(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000450647405 1034636715 /nfs/dbraw/zinc/63/67/15/1034636715.db2.gz ODTNRGWHIULLEE-UHFFFAOYSA-N 2 1 341.524 3.674 20 0 EHADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000375849296 1034716145 /nfs/dbraw/zinc/71/61/45/1034716145.db2.gz HBIFQMWOSMFCSQ-HSALFYBXSA-N 2 1 327.472 3.523 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C(C3CCC3)C3CCC3)C2)cc1 ZINC000390559287 1034767602 /nfs/dbraw/zinc/76/76/02/1034767602.db2.gz AGBVVCDLEWSCKH-NRFANRHFSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C(C3CCC3)C3CCC3)C2)cc1 ZINC000390559287 1034767612 /nfs/dbraw/zinc/76/76/12/1034767612.db2.gz AGBVVCDLEWSCKH-NRFANRHFSA-N 2 1 342.527 3.836 20 0 EHADMP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918293 1034800049 /nfs/dbraw/zinc/80/00/49/1034800049.db2.gz LAPJVQPKKGRYAZ-RTBURBONSA-N 2 1 336.907 3.978 20 0 EHADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918293 1034800061 /nfs/dbraw/zinc/80/00/61/1034800061.db2.gz LAPJVQPKKGRYAZ-RTBURBONSA-N 2 1 336.907 3.978 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000157730756 1034818642 /nfs/dbraw/zinc/81/86/42/1034818642.db2.gz VXZSZKDIGBXWFV-YADHBBJMSA-N 2 1 336.479 3.771 20 0 EHADMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OCCC(C)C ZINC000647483083 1035006718 /nfs/dbraw/zinc/00/67/18/1035006718.db2.gz XULVFALZDAEYOZ-UHFFFAOYSA-N 2 1 346.515 3.837 20 0 EHADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OCCC(C)C ZINC000647483083 1035006728 /nfs/dbraw/zinc/00/67/28/1035006728.db2.gz XULVFALZDAEYOZ-UHFFFAOYSA-N 2 1 346.515 3.837 20 0 EHADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375964384 1035024969 /nfs/dbraw/zinc/02/49/69/1035024969.db2.gz XABJEXHFPPSNCD-HBMCJLEFSA-N 2 1 330.516 3.693 20 0 EHADMP CC[C@@H]1C[N@H+](C[C@@H](C)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000647498998 1035360398 /nfs/dbraw/zinc/36/03/98/1035360398.db2.gz WOGJWWGQWQVYEZ-XJKCOSOUSA-N 2 1 325.294 3.612 20 0 EHADMP CC[C@@H]1C[N@@H+](C[C@@H](C)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000647498998 1035360401 /nfs/dbraw/zinc/36/04/01/1035360401.db2.gz WOGJWWGQWQVYEZ-XJKCOSOUSA-N 2 1 325.294 3.612 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431737985 1035398984 /nfs/dbraw/zinc/39/89/84/1035398984.db2.gz HQVWOTMCBMXRTI-AZUAARDMSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431737985 1035398987 /nfs/dbraw/zinc/39/89/87/1035398987.db2.gz HQVWOTMCBMXRTI-AZUAARDMSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431737985 1035398991 /nfs/dbraw/zinc/39/89/91/1035398991.db2.gz HQVWOTMCBMXRTI-AZUAARDMSA-N 2 1 349.563 3.554 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414057863 1035417532 /nfs/dbraw/zinc/41/75/32/1035417532.db2.gz GLDRVYWGNDKWIO-INIZCTEOSA-N 2 1 326.488 3.520 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414057863 1035417535 /nfs/dbraw/zinc/41/75/35/1035417535.db2.gz GLDRVYWGNDKWIO-INIZCTEOSA-N 2 1 326.488 3.520 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000173893689 1035697627 /nfs/dbraw/zinc/69/76/27/1035697627.db2.gz DDDHSEKSPDWTAO-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP Fc1cc(F)cc(CC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000414139622 1035739114 /nfs/dbraw/zinc/73/91/14/1035739114.db2.gz GKAZWFSACIXCOA-UHFFFAOYSA-N 2 1 334.454 3.846 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172181 1035815084 /nfs/dbraw/zinc/81/50/84/1035815084.db2.gz RXUMIIYIHIOJCU-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCC[NH+](C)C2)CC1 ZINC000414176177 1035905340 /nfs/dbraw/zinc/90/53/40/1035905340.db2.gz ICCKBFVZWHRCHK-ITAUSPCMSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000414176177 1035905347 /nfs/dbraw/zinc/90/53/47/1035905347.db2.gz ICCKBFVZWHRCHK-ITAUSPCMSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000414176177 1035905352 /nfs/dbraw/zinc/90/53/52/1035905352.db2.gz ICCKBFVZWHRCHK-ITAUSPCMSA-N 3 1 343.559 3.751 20 0 EHADMP Cc1cccc(OCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492518066 1035911624 /nfs/dbraw/zinc/91/16/24/1035911624.db2.gz ZWPFJBOTFRZYEU-CTNGQTDRSA-N 2 1 338.495 3.874 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688468 1035973523 /nfs/dbraw/zinc/97/35/23/1035973523.db2.gz KPQMSRYYTYRWHW-NHCUHLMSSA-N 2 1 326.484 3.529 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688468 1035973533 /nfs/dbraw/zinc/97/35/33/1035973533.db2.gz KPQMSRYYTYRWHW-NHCUHLMSSA-N 2 1 326.484 3.529 20 0 EHADMP Cc1cc([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191886 1035975862 /nfs/dbraw/zinc/97/58/62/1035975862.db2.gz SCPJCJNDOPTBGW-DYESRHJHSA-N 2 1 341.474 3.940 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000414201887 1036029988 /nfs/dbraw/zinc/02/99/88/1036029988.db2.gz YIIWYQSZVJXHBQ-FDKIHUSFSA-N 2 1 340.511 3.729 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000414233389 1036197071 /nfs/dbraw/zinc/19/70/71/1036197071.db2.gz IMDDPAKGJPHAOL-USNOLKROSA-N 2 1 330.516 3.833 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000414233389 1036197081 /nfs/dbraw/zinc/19/70/81/1036197081.db2.gz IMDDPAKGJPHAOL-USNOLKROSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(C)(O)CC1 ZINC000892580487 1036283352 /nfs/dbraw/zinc/28/33/52/1036283352.db2.gz KTCILSUCTCEWFP-MDMXATFFSA-N 2 1 330.516 3.844 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000190772273 1036290132 /nfs/dbraw/zinc/29/01/32/1036290132.db2.gz DFXGBEDIFXCSRG-GOSISDBHSA-N 2 1 332.536 3.670 20 0 EHADMP CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000191304354 1036363091 /nfs/dbraw/zinc/36/30/91/1036363091.db2.gz SPZHGTHPTWSSLJ-MRXNPFEDSA-N 2 1 349.482 3.883 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526974 1036401636 /nfs/dbraw/zinc/40/16/36/1036401636.db2.gz RKVOWYANESTZTL-DZGCQCFKSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526974 1036401661 /nfs/dbraw/zinc/40/16/61/1036401661.db2.gz RKVOWYANESTZTL-DZGCQCFKSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526974 1036401673 /nfs/dbraw/zinc/40/16/73/1036401673.db2.gz RKVOWYANESTZTL-DZGCQCFKSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526974 1036401685 /nfs/dbraw/zinc/40/16/85/1036401685.db2.gz RKVOWYANESTZTL-DZGCQCFKSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526974 1036401713 /nfs/dbraw/zinc/40/17/13/1036401713.db2.gz RKVOWYANESTZTL-DZGCQCFKSA-N 2 1 344.833 3.858 20 0 EHADMP CCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000892595985 1036439716 /nfs/dbraw/zinc/43/97/16/1036439716.db2.gz CQZCTGRSNJLBFY-CCNLRDMRSA-N 2 1 332.488 3.760 20 0 EHADMP CCn1nc(C)c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000398154718 1036547382 /nfs/dbraw/zinc/54/73/82/1036547382.db2.gz QJZWOLBPRWGTDC-HRAATJIYSA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000398154718 1036547401 /nfs/dbraw/zinc/54/74/01/1036547401.db2.gz QJZWOLBPRWGTDC-HRAATJIYSA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000398154718 1036547415 /nfs/dbraw/zinc/54/74/15/1036547415.db2.gz QJZWOLBPRWGTDC-HRAATJIYSA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000398154723 1036549290 /nfs/dbraw/zinc/54/92/90/1036549290.db2.gz QJZWOLBPRWGTDC-IIBYNOLFSA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000398154723 1036549317 /nfs/dbraw/zinc/54/93/17/1036549317.db2.gz QJZWOLBPRWGTDC-IIBYNOLFSA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000398154723 1036549329 /nfs/dbraw/zinc/54/93/29/1036549329.db2.gz QJZWOLBPRWGTDC-IIBYNOLFSA-N 2 1 340.515 3.520 20 0 EHADMP Cn1nc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c2ccccc21 ZINC000589637855 1036566393 /nfs/dbraw/zinc/56/63/93/1036566393.db2.gz GMTMGATZPYISPX-UHFFFAOYSA-N 2 1 348.494 3.849 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)CC3CCCCC3)C2)CC1 ZINC000541773981 1036630245 /nfs/dbraw/zinc/63/02/45/1036630245.db2.gz RMQDOHCFQDOZBW-FPOVZHCZSA-N 2 1 335.580 3.693 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000148047675 1036691236 /nfs/dbraw/zinc/69/12/36/1036691236.db2.gz FRWCQPTVBWFGQN-WCFLWFBJSA-N 2 1 329.307 3.521 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000472588751 1036715723 /nfs/dbraw/zinc/71/57/23/1036715723.db2.gz GGBMXGSEIRFSMD-PMACEKPBSA-N 2 1 330.516 3.824 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000472588751 1036715737 /nfs/dbraw/zinc/71/57/37/1036715737.db2.gz GGBMXGSEIRFSMD-PMACEKPBSA-N 2 1 330.516 3.824 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000472588751 1036715751 /nfs/dbraw/zinc/71/57/51/1036715751.db2.gz GGBMXGSEIRFSMD-PMACEKPBSA-N 2 1 330.516 3.824 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464770545 1036734514 /nfs/dbraw/zinc/73/45/14/1036734514.db2.gz BUEIFLRZPRBVIC-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000464770545 1036734533 /nfs/dbraw/zinc/73/45/33/1036734533.db2.gz BUEIFLRZPRBVIC-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310282533 1036803676 /nfs/dbraw/zinc/80/36/76/1036803676.db2.gz WRNCXPCCQKSTDL-CRAIPNDOSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310282533 1036803695 /nfs/dbraw/zinc/80/36/95/1036803695.db2.gz WRNCXPCCQKSTDL-CRAIPNDOSA-N 2 1 330.422 3.965 20 0 EHADMP CCCOc1ccc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786763 1037053018 /nfs/dbraw/zinc/05/30/18/1037053018.db2.gz PMNCXJWHHFYYRL-UHFFFAOYSA-N 2 1 348.531 3.906 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647543471 1037090628 /nfs/dbraw/zinc/09/06/28/1037090628.db2.gz OEDHRYCAJRKBRY-RBUKOAKNSA-N 2 1 339.483 3.862 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2ncccc12 ZINC000647543595 1037094044 /nfs/dbraw/zinc/09/40/44/1037094044.db2.gz PXUKHZDKPHCJJD-HZPDHXFCSA-N 2 1 327.447 3.586 20 0 EHADMP C[N@@H+](CCc1cccc(F)c1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542280630 1037241652 /nfs/dbraw/zinc/24/16/52/1037241652.db2.gz SAEIBLCCOFTWMZ-SFHVURJKSA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1cccc(F)c1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542280630 1037241663 /nfs/dbraw/zinc/24/16/63/1037241663.db2.gz SAEIBLCCOFTWMZ-SFHVURJKSA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1cccc(F)c1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542280630 1037241674 /nfs/dbraw/zinc/24/16/74/1037241674.db2.gz SAEIBLCCOFTWMZ-SFHVURJKSA-N 2 1 344.449 3.961 20 0 EHADMP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2O1 ZINC000539820290 1037243171 /nfs/dbraw/zinc/24/31/71/1037243171.db2.gz AVGTVDYIZDVSEU-IBGZPJMESA-N 2 1 328.500 3.850 20 0 EHADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2O1 ZINC000539820290 1037243183 /nfs/dbraw/zinc/24/31/83/1037243183.db2.gz AVGTVDYIZDVSEU-IBGZPJMESA-N 2 1 328.500 3.850 20 0 EHADMP CCC[N@H+](Cc1ccoc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000414393216 1037288290 /nfs/dbraw/zinc/28/82/90/1037288290.db2.gz HFIBJXNQIJQFJV-UHFFFAOYSA-N 2 1 342.487 3.876 20 0 EHADMP CCC[N@@H+](Cc1ccoc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000414393216 1037288309 /nfs/dbraw/zinc/28/83/09/1037288309.db2.gz HFIBJXNQIJQFJV-UHFFFAOYSA-N 2 1 342.487 3.876 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000106166297 1037307688 /nfs/dbraw/zinc/30/76/88/1037307688.db2.gz MXYGARYUAUJNNM-UHFFFAOYSA-N 2 1 348.288 3.637 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000539880663 1037317787 /nfs/dbraw/zinc/31/77/87/1037317787.db2.gz AROPCCRHXUOSGW-UHFFFAOYSA-N 2 1 328.859 3.664 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000539880663 1037317801 /nfs/dbraw/zinc/31/78/01/1037317801.db2.gz AROPCCRHXUOSGW-UHFFFAOYSA-N 2 1 328.859 3.664 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464589 1037368900 /nfs/dbraw/zinc/36/89/00/1037368900.db2.gz JUUMYQMKNWLLSA-DXIQSLLYSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464589 1037368914 /nfs/dbraw/zinc/36/89/14/1037368914.db2.gz JUUMYQMKNWLLSA-DXIQSLLYSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464589 1037368935 /nfs/dbraw/zinc/36/89/35/1037368935.db2.gz JUUMYQMKNWLLSA-DXIQSLLYSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464589 1037368954 /nfs/dbraw/zinc/36/89/54/1037368954.db2.gz JUUMYQMKNWLLSA-DXIQSLLYSA-N 2 1 343.559 3.881 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000462783612 1037384375 /nfs/dbraw/zinc/38/43/75/1037384375.db2.gz RZOHZPHOTFHUKS-RZUBCFFCSA-N 2 1 342.527 3.836 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462804289 1037423571 /nfs/dbraw/zinc/42/35/71/1037423571.db2.gz PJNQCTMAAOFXLI-RTWAWAEBSA-N 2 1 344.543 3.875 20 0 EHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423481173 1037501608 /nfs/dbraw/zinc/50/16/08/1037501608.db2.gz PXCFIWNOBXLVKE-MFKMUULPSA-N 2 1 332.847 3.711 20 0 EHADMP c1cnn(CCCCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000104959770 1037599302 /nfs/dbraw/zinc/59/93/02/1037599302.db2.gz HEJKBERPTAKZEB-FQEVSTJZSA-N 2 1 332.536 3.641 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@H](C)C1 ZINC000540171373 1037638669 /nfs/dbraw/zinc/63/86/69/1037638669.db2.gz VDWLJNXCORRXQY-CTNGQTDRSA-N 2 1 346.559 3.982 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)nc2)CC1)CC(C)C ZINC000540194993 1037687335 /nfs/dbraw/zinc/68/73/35/1037687335.db2.gz NAOFOVCULKLKHC-UHFFFAOYSA-N 2 1 333.520 3.670 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116835 1037786128 /nfs/dbraw/zinc/78/61/28/1037786128.db2.gz SFZZKTZMOWYWRX-NQIIRXRSSA-N 2 1 337.511 3.895 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116835 1037786143 /nfs/dbraw/zinc/78/61/43/1037786143.db2.gz SFZZKTZMOWYWRX-NQIIRXRSSA-N 2 1 337.511 3.895 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000463119593 1037786335 /nfs/dbraw/zinc/78/63/35/1037786335.db2.gz PJPLGISGYCYQMQ-VWPQPMDRSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000463143919 1037790661 /nfs/dbraw/zinc/79/06/61/1037790661.db2.gz OSSHWMLPYHFEGD-INIZCTEOSA-N 2 1 349.485 3.647 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000463146752 1037814539 /nfs/dbraw/zinc/81/45/39/1037814539.db2.gz PLFRRDCSTITSPY-XAPVIXHLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463146752 1037814555 /nfs/dbraw/zinc/81/45/55/1037814555.db2.gz PLFRRDCSTITSPY-XAPVIXHLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000463146752 1037814566 /nfs/dbraw/zinc/81/45/66/1037814566.db2.gz PLFRRDCSTITSPY-XAPVIXHLSA-N 2 1 343.559 3.750 20 0 EHADMP Cc1nc2ccc(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)cc2s1 ZINC000494134667 1037859702 /nfs/dbraw/zinc/85/97/02/1037859702.db2.gz FZIDXONYTLEBRZ-UHFFFAOYSA-N 2 1 347.528 3.584 20 0 EHADMP COCc1csc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000695470925 1038116448 /nfs/dbraw/zinc/11/64/48/1038116448.db2.gz JYZSIGCYMUTIEB-HXUWFJFHSA-N 2 1 344.524 3.896 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C(C)(C)C ZINC000163969169 1038481306 /nfs/dbraw/zinc/48/13/06/1038481306.db2.gz IHRKKYURNOZWAN-KRWDZBQOSA-N 2 1 348.531 3.700 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCSCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000539053036 1038656496 /nfs/dbraw/zinc/65/64/96/1038656496.db2.gz OLVPSGKIPIIKMX-GDBMZVCRSA-N 2 1 346.462 3.925 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000539053036 1038656498 /nfs/dbraw/zinc/65/64/98/1038656498.db2.gz OLVPSGKIPIIKMX-GDBMZVCRSA-N 2 1 346.462 3.925 20 0 EHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2N(C)C)CC1 ZINC000539073784 1038671326 /nfs/dbraw/zinc/67/13/26/1038671326.db2.gz APIFIIAHSHZFHP-PXNSSMCTSA-N 2 1 329.532 3.885 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378547218 1038712755 /nfs/dbraw/zinc/71/27/55/1038712755.db2.gz GMTGWTFJZQCFKY-UMGGQSCQSA-N 2 1 342.483 3.592 20 0 EHADMP C[N@H+](Cc1ccccc1)[C@@H](CNCC1=Cc2ccccc2OC1)C1CC1 ZINC000479884971 1038862338 /nfs/dbraw/zinc/86/23/38/1038862338.db2.gz UVLVISWDJCSPDH-QFIPXVFZSA-N 2 1 348.490 3.963 20 0 EHADMP C[N@H+](Cc1ccccc1)[C@H](CNCC1=Cc2ccccc2OC1)C1CC1 ZINC000479884967 1038862946 /nfs/dbraw/zinc/86/29/46/1038862946.db2.gz UVLVISWDJCSPDH-JOCHJYFZSA-N 2 1 348.490 3.963 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000552062254 1038929590 /nfs/dbraw/zinc/92/95/90/1038929590.db2.gz QRQKDYQJRMMZKB-CIAFKFPVSA-N 2 1 342.527 3.933 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552289910 1039140679 /nfs/dbraw/zinc/14/06/79/1039140679.db2.gz PNPQGVMWTFDFDT-UFYCRDLUSA-N 2 1 345.556 3.520 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000098172479 1039149882 /nfs/dbraw/zinc/14/98/82/1039149882.db2.gz RABICBFCOOLALV-UHFFFAOYSA-N 2 1 349.522 3.910 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)[C@H](C)C1 ZINC000488454037 1039184090 /nfs/dbraw/zinc/18/40/90/1039184090.db2.gz XYKNDYLIKJJZNP-OWSLCNJRSA-N 2 1 342.593 3.633 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518438 1039185988 /nfs/dbraw/zinc/18/59/88/1039185988.db2.gz IXBXBAZKCNANBM-IWTFSIHTSA-N 2 1 342.527 3.692 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898517027 1039187546 /nfs/dbraw/zinc/18/75/46/1039187546.db2.gz HITMOJITDLTXEP-ANULTFPQSA-N 2 1 342.527 3.834 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660115197 1039192708 /nfs/dbraw/zinc/19/27/08/1039192708.db2.gz MKFFLEORPRQEOD-HNAYVOBHSA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115197 1039192727 /nfs/dbraw/zinc/19/27/27/1039192727.db2.gz MKFFLEORPRQEOD-HNAYVOBHSA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000660115197 1039192741 /nfs/dbraw/zinc/19/27/41/1039192741.db2.gz MKFFLEORPRQEOD-HNAYVOBHSA-N 2 1 341.524 3.788 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCOCC1 ZINC000898520021 1039193136 /nfs/dbraw/zinc/19/31/36/1039193136.db2.gz SMRGZSQODKNGLU-KVJIRVJXSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222986 1039323387 /nfs/dbraw/zinc/32/33/87/1039323387.db2.gz IJWWEFZLZZKSCA-AVRDEDQJSA-N 2 1 349.522 3.679 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000432811754 1039333088 /nfs/dbraw/zinc/33/30/88/1039333088.db2.gz FSURUWPXTQHTQP-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000432811754 1039333104 /nfs/dbraw/zinc/33/31/04/1039333104.db2.gz FSURUWPXTQHTQP-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000237435039 1039364884 /nfs/dbraw/zinc/36/48/84/1039364884.db2.gz IBUIDBASJJIHJE-AWEZNQCLSA-N 2 1 326.469 3.741 20 0 EHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911926784 1039579517 /nfs/dbraw/zinc/57/95/17/1039579517.db2.gz ZRFUJWINVRSYHE-OAHLLOKOSA-N 2 1 349.438 3.596 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552919605 1039636604 /nfs/dbraw/zinc/63/66/04/1039636604.db2.gz JLGUPZXCEXIKFJ-HOJAQTOUSA-N 2 1 332.532 3.672 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552919605 1039636613 /nfs/dbraw/zinc/63/66/13/1039636613.db2.gz JLGUPZXCEXIKFJ-HOJAQTOUSA-N 2 1 332.532 3.672 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000480563908 1039701115 /nfs/dbraw/zinc/70/11/15/1039701115.db2.gz OEULPRFZGXFXCQ-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000480563908 1039701133 /nfs/dbraw/zinc/70/11/33/1039701133.db2.gz OEULPRFZGXFXCQ-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563908 1039701150 /nfs/dbraw/zinc/70/11/50/1039701150.db2.gz OEULPRFZGXFXCQ-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563908 1039701165 /nfs/dbraw/zinc/70/11/65/1039701165.db2.gz OEULPRFZGXFXCQ-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP OC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000417356223 1039717385 /nfs/dbraw/zinc/71/73/85/1039717385.db2.gz BYWKJIAMKNMPOJ-JOCHJYFZSA-N 2 1 344.543 3.614 20 0 EHADMP c1c2ccncc2sc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000667709012 1039764902 /nfs/dbraw/zinc/76/49/02/1039764902.db2.gz RADKRSDYXVMZRI-QAPCUYQASA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709012 1039764919 /nfs/dbraw/zinc/76/49/19/1039764919.db2.gz RADKRSDYXVMZRI-QAPCUYQASA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667709012 1039764938 /nfs/dbraw/zinc/76/49/38/1039764938.db2.gz RADKRSDYXVMZRI-QAPCUYQASA-N 2 1 327.497 3.745 20 0 EHADMP c1[nH]nc2c1cccc2C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016644 1039840984 /nfs/dbraw/zinc/84/09/84/1039840984.db2.gz ZEERRNFRQGJLQI-QGZVFWFLSA-N 2 1 326.488 3.651 20 0 EHADMP CC(C)[C@H]1C[NH+](CCC[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000489324776 1039854543 /nfs/dbraw/zinc/85/45/43/1039854543.db2.gz IJNCEIWQLKPYKG-IAGOWNOFSA-N 2 1 330.607 3.523 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310420753 1039959354 /nfs/dbraw/zinc/95/93/54/1039959354.db2.gz YWTZCOKEKTZHRJ-FXAWDEMLSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccs1 ZINC000480779044 1040001318 /nfs/dbraw/zinc/00/13/18/1040001318.db2.gz JSMDZOLIFJRZBZ-HKUYNNGSSA-N 2 1 343.540 3.778 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000555099221 1040156318 /nfs/dbraw/zinc/15/63/18/1040156318.db2.gz KXKTUDZFMGTNEF-DKZLNJBMSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000555099221 1040156333 /nfs/dbraw/zinc/15/63/33/1040156333.db2.gz KXKTUDZFMGTNEF-DKZLNJBMSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000555099221 1040156339 /nfs/dbraw/zinc/15/63/39/1040156339.db2.gz KXKTUDZFMGTNEF-DKZLNJBMSA-N 2 1 338.442 3.963 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447541 1040267849 /nfs/dbraw/zinc/26/78/49/1040267849.db2.gz QATPSYVVNISKPF-WBVHZDCISA-N 2 1 329.875 3.908 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447541 1040267864 /nfs/dbraw/zinc/26/78/64/1040267864.db2.gz QATPSYVVNISKPF-WBVHZDCISA-N 2 1 329.875 3.908 20 0 EHADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490043397 1040317061 /nfs/dbraw/zinc/31/70/61/1040317061.db2.gz QBHCBEMZVWXOJM-QGZVFWFLSA-N 2 1 342.487 3.629 20 0 EHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490043397 1040317075 /nfs/dbraw/zinc/31/70/75/1040317075.db2.gz QBHCBEMZVWXOJM-QGZVFWFLSA-N 2 1 342.487 3.629 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000553724284 1040370801 /nfs/dbraw/zinc/37/08/01/1040370801.db2.gz WNRDKIWEWVMZQJ-KRWDZBQOSA-N 2 1 342.531 3.659 20 0 EHADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000512649852 1040395408 /nfs/dbraw/zinc/39/54/08/1040395408.db2.gz UZUJAKOFUSKIDH-QHAWAJNXSA-N 2 1 342.527 3.693 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000924866900 1040418486 /nfs/dbraw/zinc/41/84/86/1040418486.db2.gz BSKKSRBBAIXGAH-RLLQIKCJSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000924866900 1040418496 /nfs/dbraw/zinc/41/84/96/1040418496.db2.gz BSKKSRBBAIXGAH-RLLQIKCJSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)c1 ZINC000924866900 1040418502 /nfs/dbraw/zinc/41/85/02/1040418502.db2.gz BSKKSRBBAIXGAH-RLLQIKCJSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)c1 ZINC000924866900 1040418515 /nfs/dbraw/zinc/41/85/15/1040418515.db2.gz BSKKSRBBAIXGAH-RLLQIKCJSA-N 2 1 347.572 3.567 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000512660144 1040442236 /nfs/dbraw/zinc/44/22/36/1040442236.db2.gz LJJPKECXXLVMBV-DOIPELPJSA-N 2 1 330.516 3.548 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000481174421 1040457665 /nfs/dbraw/zinc/45/76/65/1040457665.db2.gz KTDDBKBAKIUYEJ-PKOBYXMFSA-N 2 1 346.515 3.609 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000481174421 1040457675 /nfs/dbraw/zinc/45/76/75/1040457675.db2.gz KTDDBKBAKIUYEJ-PKOBYXMFSA-N 2 1 346.515 3.609 20 0 EHADMP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000567642593 1040458625 /nfs/dbraw/zinc/45/86/25/1040458625.db2.gz XUBOYBLUUIOJKM-LIRRHRJNSA-N 2 1 344.890 3.635 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000120143598 1040515350 /nfs/dbraw/zinc/51/53/50/1040515350.db2.gz NSWOKBLGPPTUOP-MSOLQXFVSA-N 2 1 326.488 3.787 20 0 EHADMP COCc1csc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000667561061 1040646806 /nfs/dbraw/zinc/64/68/06/1040646806.db2.gz KJZYDPNUILVQLG-KRWDZBQOSA-N 2 1 336.545 3.838 20 0 EHADMP COCc1csc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000667561061 1040646819 /nfs/dbraw/zinc/64/68/19/1040646819.db2.gz KJZYDPNUILVQLG-KRWDZBQOSA-N 2 1 336.545 3.838 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)C[NH+]1CCCC1 ZINC000481311303 1040658841 /nfs/dbraw/zinc/65/88/41/1040658841.db2.gz UVSHLGBRNYQJIQ-STQMWFEESA-N 2 1 330.394 3.810 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025987 1040871333 /nfs/dbraw/zinc/87/13/33/1040871333.db2.gz XEYGHLDYINRVQC-AZUAARDMSA-N 2 1 341.474 3.826 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025987 1040871337 /nfs/dbraw/zinc/87/13/37/1040871337.db2.gz XEYGHLDYINRVQC-AZUAARDMSA-N 2 1 341.474 3.826 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CC3(C)C)CC2)cs1 ZINC000487301817 1040903119 /nfs/dbraw/zinc/90/31/19/1040903119.db2.gz SLFPFCYKBXLZTL-YOEHRIQHSA-N 2 1 335.561 3.942 20 0 EHADMP C[N@@H+](CC[C@H](O)c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290145029 1040934615 /nfs/dbraw/zinc/93/46/15/1040934615.db2.gz CIZLFRCMSRFYNA-IRLDBZIGSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@H](O)c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290145029 1040934624 /nfs/dbraw/zinc/93/46/24/1040934624.db2.gz CIZLFRCMSRFYNA-IRLDBZIGSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@H](O)c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290145029 1040934650 /nfs/dbraw/zinc/93/46/50/1040934650.db2.gz CIZLFRCMSRFYNA-IRLDBZIGSA-N 2 1 338.495 3.564 20 0 EHADMP COc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123772559 1040938708 /nfs/dbraw/zinc/93/87/08/1040938708.db2.gz AHXYNTNSTMAGLE-SFHVURJKSA-N 2 1 338.495 3.880 20 0 EHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000390562751 1041011601 /nfs/dbraw/zinc/01/16/01/1041011601.db2.gz MUKYUYPSBCWHKR-QNXAMLQOSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nn(C)c2ccccc12 ZINC000398147872 1041092222 /nfs/dbraw/zinc/09/22/22/1041092222.db2.gz ONSBHULYXWJWEB-YLJYHZDGSA-N 2 1 348.494 3.574 20 0 EHADMP c1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc(C[NH+]2CCCCC2)c1 ZINC000411767742 1041106641 /nfs/dbraw/zinc/10/66/41/1041106641.db2.gz OMASMVHWCRRVNU-NRFANRHFSA-N 2 1 328.500 3.675 20 0 EHADMP CC1(C)CC([NH2+]Cc2ccccc2Br)CC(C)(C)[NH2+]1 ZINC000020143435 1041186082 /nfs/dbraw/zinc/18/60/82/1041186082.db2.gz AWCCLCSHYJPSOE-UHFFFAOYSA-N 2 1 325.294 3.848 20 0 EHADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)C1 ZINC000899874762 1041261882 /nfs/dbraw/zinc/26/18/82/1041261882.db2.gz KQBTXNZOIMHZBT-LBPRGKRZSA-N 2 1 339.361 3.887 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000709496877 1041271979 /nfs/dbraw/zinc/27/19/79/1041271979.db2.gz ZBCJSPIRHQNACC-HXUWFJFHSA-N 3 1 341.543 3.505 20 0 EHADMP Clc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000364438881 1041301446 /nfs/dbraw/zinc/30/14/46/1041301446.db2.gz CRRBGXGIHNGBJV-RTBURBONSA-N 2 1 347.934 3.521 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651689380 1041923080 /nfs/dbraw/zinc/92/30/80/1041923080.db2.gz RVBYHMOHBFGJFD-UHFFFAOYSA-N 2 1 340.515 3.843 20 0 EHADMP Brc1ccccc1C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000652343767 1042400459 /nfs/dbraw/zinc/40/04/59/1042400459.db2.gz WQLWQTBHVXSFJF-CQSZACIVSA-N 2 1 337.305 3.803 20 0 EHADMP Brc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000652343767 1042400463 /nfs/dbraw/zinc/40/04/63/1042400463.db2.gz WQLWQTBHVXSFJF-CQSZACIVSA-N 2 1 337.305 3.803 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)cc1 ZINC000188381467 1042602445 /nfs/dbraw/zinc/60/24/45/1042602445.db2.gz NWYFDCPDFDXHTM-UHFFFAOYSA-N 2 1 342.487 3.877 20 0 EHADMP Fc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000662291831 1042662547 /nfs/dbraw/zinc/66/25/47/1042662547.db2.gz AEQWYVVYLUJHON-AWEZNQCLSA-N 2 1 342.405 3.639 20 0 EHADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662294713 1042664467 /nfs/dbraw/zinc/66/44/67/1042664467.db2.gz SETZUXMLAQGDNL-IBGZPJMESA-N 2 1 339.483 3.862 20 0 EHADMP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])o2)cc1 ZINC000662313945 1042682218 /nfs/dbraw/zinc/68/22/18/1042682218.db2.gz AAQVAZSKXDWHQR-SJLPKXTDSA-N 2 1 327.472 3.989 20 0 EHADMP Fc1cc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663346261 1042731036 /nfs/dbraw/zinc/73/10/36/1042731036.db2.gz RUIRKMDULJXPBG-HNNXBMFYSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663346261 1042731039 /nfs/dbraw/zinc/73/10/39/1042731039.db2.gz RUIRKMDULJXPBG-HNNXBMFYSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663346261 1042731044 /nfs/dbraw/zinc/73/10/44/1042731044.db2.gz RUIRKMDULJXPBG-HNNXBMFYSA-N 2 1 342.405 3.639 20 0 EHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C2CCCCC2)n1 ZINC000663346899 1042733616 /nfs/dbraw/zinc/73/36/16/1042733616.db2.gz WVXYTGNJWWLNPX-SFHVURJKSA-N 2 1 344.547 3.679 20 0 EHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C2CCCCC2)n1 ZINC000663346899 1042733622 /nfs/dbraw/zinc/73/36/22/1042733622.db2.gz WVXYTGNJWWLNPX-SFHVURJKSA-N 2 1 344.547 3.679 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000644835473 1042752511 /nfs/dbraw/zinc/75/25/11/1042752511.db2.gz JAZNKCDUGCOQHP-HXUWFJFHSA-N 2 1 339.483 3.605 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000644835473 1042752516 /nfs/dbraw/zinc/75/25/16/1042752516.db2.gz JAZNKCDUGCOQHP-HXUWFJFHSA-N 2 1 339.483 3.605 20 0 EHADMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1Cl ZINC000165304027 1042769924 /nfs/dbraw/zinc/76/99/24/1042769924.db2.gz KHCKVDIVZHURTM-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466505 1042892652 /nfs/dbraw/zinc/89/26/52/1042892652.db2.gz USSYUVFKVALGHP-KKSFZXQISA-N 2 1 346.490 3.997 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466505 1042892656 /nfs/dbraw/zinc/89/26/56/1042892656.db2.gz USSYUVFKVALGHP-KKSFZXQISA-N 2 1 346.490 3.997 20 0 EHADMP CC1(C)C[C@@]1(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000663477263 1042909141 /nfs/dbraw/zinc/90/91/41/1042909141.db2.gz ROKKZWNXNFXCEJ-IFMALSPDSA-N 2 1 342.527 3.587 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000663479434 1042913774 /nfs/dbraw/zinc/91/37/74/1042913774.db2.gz QVQBNSMYYFBNNI-HXUWFJFHSA-N 2 1 348.506 3.726 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000344002426 1043084419 /nfs/dbraw/zinc/08/44/19/1043084419.db2.gz XPADEEWVMHBZEP-GOSISDBHSA-N 2 1 349.425 3.541 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419426 1043153051 /nfs/dbraw/zinc/15/30/51/1043153051.db2.gz BTGGWRAHQVKSAC-MOPGFXCFSA-N 2 1 332.532 3.833 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419426 1043153054 /nfs/dbraw/zinc/15/30/54/1043153054.db2.gz BTGGWRAHQVKSAC-MOPGFXCFSA-N 2 1 332.532 3.833 20 0 EHADMP CC(C)(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000344080319 1043218761 /nfs/dbraw/zinc/21/87/61/1043218761.db2.gz UWNHOHBOIAZFRR-WOJBJXKFSA-N 2 1 332.532 3.990 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C12CCC2 ZINC000344103239 1043259034 /nfs/dbraw/zinc/25/90/34/1043259034.db2.gz VYNXYDIVUJVBQZ-PMACEKPBSA-N 2 1 330.516 3.964 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000279778077 1044646006 /nfs/dbraw/zinc/64/60/06/1044646006.db2.gz BVOMWPZRZMQEII-BZUAXINKSA-N 2 1 345.487 3.627 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000336792916 1126810116 /nfs/dbraw/zinc/81/01/16/1126810116.db2.gz USYWQNKMRATUHN-LBPRGKRZSA-N 2 1 329.307 3.573 20 0 EHADMP CCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623357315 1126931361 /nfs/dbraw/zinc/93/13/61/1126931361.db2.gz IPQTZXQNMPIISR-QGZVFWFLSA-N 2 1 334.504 3.837 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623357923 1126929316 /nfs/dbraw/zinc/92/93/16/1126929316.db2.gz GYFYZYIGQVMVBH-NRFANRHFSA-N 2 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357923 1126929319 /nfs/dbraw/zinc/92/93/19/1126929319.db2.gz GYFYZYIGQVMVBH-NRFANRHFSA-N 3 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623357923 1126929320 /nfs/dbraw/zinc/92/93/20/1126929320.db2.gz GYFYZYIGQVMVBH-NRFANRHFSA-N 3 1 343.559 3.881 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1(C)C ZINC000623357406 1126929339 /nfs/dbraw/zinc/92/93/39/1126929339.db2.gz NDSPDIVAFUZQRJ-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1(C)C ZINC000623357406 1126929342 /nfs/dbraw/zinc/92/93/42/1126929342.db2.gz NDSPDIVAFUZQRJ-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623357315 1126931368 /nfs/dbraw/zinc/93/13/68/1126931368.db2.gz IPQTZXQNMPIISR-QGZVFWFLSA-N 2 1 334.504 3.837 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477671 1126968477 /nfs/dbraw/zinc/96/84/77/1126968477.db2.gz OMLLRWSZWYJLKG-KGLIPLIRSA-N 2 1 339.886 3.520 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000623510732 1126969672 /nfs/dbraw/zinc/96/96/72/1126969672.db2.gz JGNXSPHBWVGANG-SFHVURJKSA-N 2 1 344.886 3.960 20 0 EHADMP C[N@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528967 1126977257 /nfs/dbraw/zinc/97/72/57/1126977257.db2.gz OHJQHGIKAVFSQD-LEWJYISDSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528967 1126977258 /nfs/dbraw/zinc/97/72/58/1126977258.db2.gz OHJQHGIKAVFSQD-LEWJYISDSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528967 1126977260 /nfs/dbraw/zinc/97/72/60/1126977260.db2.gz OHJQHGIKAVFSQD-LEWJYISDSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528967 1126977262 /nfs/dbraw/zinc/97/72/62/1126977262.db2.gz OHJQHGIKAVFSQD-LEWJYISDSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528967 1126977263 /nfs/dbraw/zinc/97/72/63/1126977263.db2.gz OHJQHGIKAVFSQD-LEWJYISDSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528967 1126977264 /nfs/dbraw/zinc/97/72/64/1126977264.db2.gz OHJQHGIKAVFSQD-LEWJYISDSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528967 1126977265 /nfs/dbraw/zinc/97/72/65/1126977265.db2.gz OHJQHGIKAVFSQD-LEWJYISDSA-N 3 1 343.559 3.751 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CNC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000177979062 1127004498 /nfs/dbraw/zinc/00/44/98/1127004498.db2.gz OVJMVJGLNSXTLO-UHFFFAOYSA-N 2 1 331.548 3.879 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000177979062 1127004501 /nfs/dbraw/zinc/00/45/01/1127004501.db2.gz OVJMVJGLNSXTLO-UHFFFAOYSA-N 3 1 331.548 3.879 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000177979062 1127004503 /nfs/dbraw/zinc/00/45/03/1127004503.db2.gz OVJMVJGLNSXTLO-UHFFFAOYSA-N 3 1 331.548 3.879 20 0 EHADMP C[N@H+]1CCCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656721 1127006463 /nfs/dbraw/zinc/00/64/63/1127006463.db2.gz AHKMLGYDJAFWGU-NHCUHLMSSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656721 1127006467 /nfs/dbraw/zinc/00/64/67/1127006467.db2.gz AHKMLGYDJAFWGU-NHCUHLMSSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656721 1127006471 /nfs/dbraw/zinc/00/64/71/1127006471.db2.gz AHKMLGYDJAFWGU-NHCUHLMSSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656721 1127006476 /nfs/dbraw/zinc/00/64/76/1127006476.db2.gz AHKMLGYDJAFWGU-NHCUHLMSSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656721 1127006479 /nfs/dbraw/zinc/00/64/79/1127006479.db2.gz AHKMLGYDJAFWGU-NHCUHLMSSA-N 2 1 341.543 3.505 20 0 EHADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623860834 1127200283 /nfs/dbraw/zinc/20/02/83/1127200283.db2.gz GTEDQALLPPVYCN-KGLIPLIRSA-N 2 1 337.305 3.892 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C)ccc1C ZINC000623893479 1127207619 /nfs/dbraw/zinc/20/76/19/1127207619.db2.gz RTFGMUVKOGIDBX-PZJWPPBQSA-N 2 1 330.516 3.988 20 0 EHADMP Cc1csc([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000623886379 1127209989 /nfs/dbraw/zinc/20/99/89/1127209989.db2.gz ZXZDRSQNFZPRPN-FUHWJXTLSA-N 2 1 329.513 3.667 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000623963372 1127223184 /nfs/dbraw/zinc/22/31/84/1127223184.db2.gz GEVRPCCOHISTKG-MSOLQXFVSA-N 2 1 333.476 3.795 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623998120 1127229761 /nfs/dbraw/zinc/22/97/61/1127229761.db2.gz HMTAFGSMSQPGKD-MRXNPFEDSA-N 2 1 326.488 3.612 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000624054447 1127243918 /nfs/dbraw/zinc/24/39/18/1127243918.db2.gz DTJGTNBDPZQUMS-AOMKIAJQSA-N 2 1 347.462 3.973 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624124216 1127257537 /nfs/dbraw/zinc/25/75/37/1127257537.db2.gz ZYUGVVNMAAHMAR-GDBMZVCRSA-N 2 1 339.321 3.702 20 0 EHADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360874911 1127344263 /nfs/dbraw/zinc/34/42/63/1127344263.db2.gz UXORSNKOQBXTBN-OSYNSWQESA-N 2 1 328.500 3.729 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254951 1127423168 /nfs/dbraw/zinc/42/31/68/1127423168.db2.gz RUBIBNJQSCAWBI-FUHWJXTLSA-N 2 1 336.495 3.677 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254951 1127423171 /nfs/dbraw/zinc/42/31/71/1127423171.db2.gz RUBIBNJQSCAWBI-FUHWJXTLSA-N 2 1 336.495 3.677 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254951 1127423172 /nfs/dbraw/zinc/42/31/72/1127423172.db2.gz RUBIBNJQSCAWBI-FUHWJXTLSA-N 2 1 336.495 3.677 20 0 EHADMP Cc1cnn(CCCCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185762332 1127431240 /nfs/dbraw/zinc/43/12/40/1127431240.db2.gz AVDUKIWJQYGMNH-RBUKOAKNSA-N 2 1 332.536 3.604 20 0 EHADMP COCc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355288 1127483677 /nfs/dbraw/zinc/48/36/77/1127483677.db2.gz NJCOHELHXDPCEU-GCJKJVERSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@@H]([NH2+]CCOCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381879325 1127495529 /nfs/dbraw/zinc/49/55/29/1127495529.db2.gz OGWSKSBCGTUAGI-DENIHFKCSA-N 2 1 338.495 3.703 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764829550 1127536814 /nfs/dbraw/zinc/53/68/14/1127536814.db2.gz XSZUUVMRCUZINI-KRWDZBQOSA-N 2 1 326.488 3.643 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000765417402 1127609032 /nfs/dbraw/zinc/60/90/32/1127609032.db2.gz UIVSOVFRUFVSLH-KNQAVFIVSA-N 2 1 349.522 3.692 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000765417402 1127609036 /nfs/dbraw/zinc/60/90/36/1127609036.db2.gz UIVSOVFRUFVSLH-KNQAVFIVSA-N 2 1 349.522 3.692 20 0 EHADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000921619810 1127851932 /nfs/dbraw/zinc/85/19/32/1127851932.db2.gz PPFDJRRJITZRCZ-LJQANCHMSA-N 2 1 338.499 3.610 20 0 EHADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921619810 1127851937 /nfs/dbraw/zinc/85/19/37/1127851937.db2.gz PPFDJRRJITZRCZ-LJQANCHMSA-N 2 1 338.499 3.610 20 0 EHADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(COc3ccccc3)c1)C2 ZINC000921630170 1127899663 /nfs/dbraw/zinc/89/96/63/1127899663.db2.gz FTYJMOCQZOLSOQ-LJQANCHMSA-N 2 1 333.435 3.567 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cnn(C4CCC4)c3)C2)c1 ZINC000921630367 1127900354 /nfs/dbraw/zinc/90/03/54/1127900354.db2.gz RMBFVIQVUCVKHR-MRXNPFEDSA-N 2 1 344.528 3.671 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cnn(C4CCC4)c3)C2)c1 ZINC000921630367 1127900357 /nfs/dbraw/zinc/90/03/57/1127900357.db2.gz RMBFVIQVUCVKHR-MRXNPFEDSA-N 2 1 344.528 3.671 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000062427173 1128134553 /nfs/dbraw/zinc/13/45/53/1128134553.db2.gz FCIDEJDDJVDXFB-SFHVURJKSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671750495 1128203823 /nfs/dbraw/zinc/20/38/23/1128203823.db2.gz AJNAYGICZLPFJC-GUSVMJMASA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671753756 1128223048 /nfs/dbraw/zinc/22/30/48/1128223048.db2.gz LMHFTZBOJZDYFZ-LSDHHAIUSA-N 2 1 331.460 3.552 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000066960771 1128230534 /nfs/dbraw/zinc/23/05/34/1128230534.db2.gz JHBHVFYGWIVIMX-SFHVURJKSA-N 2 1 345.531 3.766 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785525 1128366138 /nfs/dbraw/zinc/36/61/38/1128366138.db2.gz XGRRLBVOYUARCZ-IEBWSBKVSA-N 2 1 340.515 3.952 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785525 1128366143 /nfs/dbraw/zinc/36/61/43/1128366143.db2.gz XGRRLBVOYUARCZ-IEBWSBKVSA-N 2 1 340.515 3.952 20 0 EHADMP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000623655764 1128449478 /nfs/dbraw/zinc/44/94/78/1128449478.db2.gz DXPDVIKUCKBFLP-LSDHHAIUSA-N 2 1 339.321 3.874 20 0 EHADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000166399060 1128456456 /nfs/dbraw/zinc/45/64/56/1128456456.db2.gz AGMGJSRWNCEAKF-FCHUYYIVSA-N 3 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000166399060 1128456458 /nfs/dbraw/zinc/45/64/58/1128456458.db2.gz AGMGJSRWNCEAKF-FCHUYYIVSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000166399060 1128456459 /nfs/dbraw/zinc/45/64/59/1128456459.db2.gz AGMGJSRWNCEAKF-FCHUYYIVSA-N 2 1 341.543 3.779 20 0 EHADMP CSC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542847847 1128686458 /nfs/dbraw/zinc/68/64/58/1128686458.db2.gz VLXQMORDFXQTQH-HNNXBMFYSA-N 2 1 332.435 3.793 20 0 EHADMP COc1cc(C)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000083474012 1120135453 /nfs/dbraw/zinc/13/54/53/1120135453.db2.gz HKJOSGSUQQMVCW-UHFFFAOYSA-N 2 1 332.488 3.509 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H]3C[C@@H](OC(C)C)C3(C)C)CC2)[nH+]c1 ZINC000185230155 1120405559 /nfs/dbraw/zinc/40/55/59/1120405559.db2.gz YVUXYQTZFFOPMG-ZWKOTPCHSA-N 2 1 331.504 3.541 20 0 EHADMP CC(C)c1nc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000186291108 1120453541 /nfs/dbraw/zinc/45/35/41/1120453541.db2.gz RHMSXELHCDHMDS-XHSDSOJGSA-N 2 1 339.549 3.807 20 0 EHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1Cl ZINC000191430702 1120673407 /nfs/dbraw/zinc/67/34/07/1120673407.db2.gz IRJPRHZIGUIYIE-UHFFFAOYSA-N 2 1 337.939 3.578 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000715188705 1120685152 /nfs/dbraw/zinc/68/51/52/1120685152.db2.gz YQWVVTPIDSYNEM-CBNMVNINSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000715188705 1120685155 /nfs/dbraw/zinc/68/51/55/1120685155.db2.gz YQWVVTPIDSYNEM-CBNMVNINSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cncc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000494623572 1120704483 /nfs/dbraw/zinc/70/44/83/1120704483.db2.gz XOAQGWVIJSCXIF-SJLPKXTDSA-N 2 1 327.447 3.611 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494643163 1120712040 /nfs/dbraw/zinc/71/20/40/1120712040.db2.gz NWSPTIYBXCWCOB-QNGMFEMESA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192480126 1120736562 /nfs/dbraw/zinc/73/65/62/1120736562.db2.gz VNVDFDATWGHEIQ-TWFHAPMSSA-N 2 1 330.516 3.679 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000195020640 1120760457 /nfs/dbraw/zinc/76/04/57/1120760457.db2.gz PXFRQZKZJLJCHO-MRXNPFEDSA-N 2 1 328.422 3.912 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000670157990 1121120457 /nfs/dbraw/zinc/12/04/57/1121120457.db2.gz CGIGRLOOCNYSGL-CEQLMSFQSA-N 2 1 344.543 3.877 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168487163 1121144049 /nfs/dbraw/zinc/14/40/49/1121144049.db2.gz OBNBPNMRKOZTCM-APWZRJJASA-N 2 1 348.506 3.768 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 ZINC000655785833 1121163440 /nfs/dbraw/zinc/16/34/40/1121163440.db2.gz MPSFKUWTGKIJMO-NHCUHLMSSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)[C@@H](CNc1cc[nH+]c2ccc(Cl)cc12)[NH+]1CCOCC1 ZINC000303636509 1121167485 /nfs/dbraw/zinc/16/74/85/1121167485.db2.gz ZUKLCGFZKCSQLV-GOSISDBHSA-N 2 1 333.863 3.657 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccccc2C(C)=O)CC1 ZINC000193971242 1121739130 /nfs/dbraw/zinc/73/91/30/1121739130.db2.gz NASAMEOERNOHPR-UHFFFAOYSA-N 2 1 346.515 3.712 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000763209969 1121882592 /nfs/dbraw/zinc/88/25/92/1121882592.db2.gz IPYIRYSCEYZSSV-QGZVFWFLSA-N 2 1 349.563 3.567 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000763397163 1122226142 /nfs/dbraw/zinc/22/61/42/1122226142.db2.gz YMICEBOCCHBKGX-PKOBYXMFSA-N 2 1 334.891 3.560 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000125774415 1122337057 /nfs/dbraw/zinc/33/70/57/1122337057.db2.gz BXFOAISSNRFWBY-JKSUJKDBSA-N 2 1 343.515 3.687 20 0 EHADMP CCCOc1ccc2c(c1)CC[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000130281489 1122925132 /nfs/dbraw/zinc/92/51/32/1122925132.db2.gz ANKIKDALHITTEQ-UHFFFAOYSA-N 2 1 327.472 3.819 20 0 EHADMP CCCOc1ccc2c(c1)CC[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000130281489 1122925140 /nfs/dbraw/zinc/92/51/40/1122925140.db2.gz ANKIKDALHITTEQ-UHFFFAOYSA-N 2 1 327.472 3.819 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000556814547 1123134117 /nfs/dbraw/zinc/13/41/17/1123134117.db2.gz WWNDUTVJXYOSQP-UHFFFAOYSA-N 2 1 340.458 3.883 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000556873685 1123162719 /nfs/dbraw/zinc/16/27/19/1123162719.db2.gz YGOWVHCPBOZDBO-HRTMPFAESA-N 2 1 344.543 3.960 20 0 EHADMP Fc1ccc(SCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134875701 1123560026 /nfs/dbraw/zinc/56/00/26/1123560026.db2.gz ZFUIDVWPFSLXEC-DNVCBOLYSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134875701 1123560028 /nfs/dbraw/zinc/56/00/28/1123560028.db2.gz ZFUIDVWPFSLXEC-DNVCBOLYSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134875701 1123560031 /nfs/dbraw/zinc/56/00/31/1123560031.db2.gz ZFUIDVWPFSLXEC-DNVCBOLYSA-N 2 1 334.504 3.867 20 0 EHADMP C[NH2+]CCC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137203845 1123753749 /nfs/dbraw/zinc/75/37/49/1123753749.db2.gz BTJVMDCXHMNYBD-UHFFFAOYSA-N 2 1 345.712 3.924 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245418973 1123820870 /nfs/dbraw/zinc/82/08/70/1123820870.db2.gz BGNIMZMBRFRIFD-IXDOHACOSA-N 2 1 336.545 3.949 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000245434389 1123826074 /nfs/dbraw/zinc/82/60/74/1123826074.db2.gz PTMNEMDWWRGRSW-OXJNMPFZSA-N 2 1 327.472 3.812 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)CCO1 ZINC000237785403 1123859233 /nfs/dbraw/zinc/85/92/33/1123859233.db2.gz CRPQRFAOWPBUOH-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)CCO1 ZINC000237785403 1123859237 /nfs/dbraw/zinc/85/92/37/1123859237.db2.gz CRPQRFAOWPBUOH-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP CC(C)[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000245648664 1123909494 /nfs/dbraw/zinc/90/94/94/1123909494.db2.gz CDFSSIYODDIZTJ-KOUNCHBCSA-N 2 1 343.559 3.890 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000246430786 1124464947 /nfs/dbraw/zinc/46/49/47/1124464947.db2.gz NXISKGCHDLWDBN-IAGOWNOFSA-N 2 1 334.504 3.722 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000246824816 1124552619 /nfs/dbraw/zinc/55/26/19/1124552619.db2.gz BJJJZFPWKIZZPA-LRDDRELGSA-N 2 1 328.378 3.504 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)[C@H](C)C1 ZINC000247053549 1124583176 /nfs/dbraw/zinc/58/31/76/1124583176.db2.gz MHCPXMJNCNQLSN-HZEGPAAWSA-N 2 1 330.516 3.783 20 0 EHADMP CCOc1c(Cl)cc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247111282 1124589242 /nfs/dbraw/zinc/58/92/42/1124589242.db2.gz QPRLARFOGWMHQJ-XJKCOSOUSA-N 2 1 340.895 3.566 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247111282 1124589251 /nfs/dbraw/zinc/58/92/51/1124589251.db2.gz QPRLARFOGWMHQJ-XJKCOSOUSA-N 2 1 340.895 3.566 20 0 EHADMP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883110 1124711413 /nfs/dbraw/zinc/71/14/13/1124711413.db2.gz LGXRQHUJDHMFDE-HAGHYFMRSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000249045216 1124730940 /nfs/dbraw/zinc/73/09/40/1124730940.db2.gz VVWIUAKHVIEJQQ-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000089721707 1124842122 /nfs/dbraw/zinc/84/21/22/1124842122.db2.gz JAKGFNIYPIHIBT-SGLNWRHMSA-N 2 1 330.516 3.789 20 0 EHADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396389 1129356950 /nfs/dbraw/zinc/35/69/50/1129356950.db2.gz CDMWRSPUGYWEDW-AEFFLSMTSA-N 2 1 333.520 3.586 20 0 EHADMP Cc1cccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000765976352 1129359015 /nfs/dbraw/zinc/35/90/15/1129359015.db2.gz NOXWWMGFZLVFRY-YADHBBJMSA-N 2 1 342.527 3.549 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000765979158 1129404382 /nfs/dbraw/zinc/40/43/82/1129404382.db2.gz WMIUKXJVGXBWMC-YADHBBJMSA-N 2 1 342.527 3.549 20 0 EHADMP Cc1csc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000069168310 1129428605 /nfs/dbraw/zinc/42/86/05/1129428605.db2.gz BVCUAYOMWVFGEV-INIZCTEOSA-N 2 1 345.512 3.777 20 0 EHADMP CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000543395264 1129457737 /nfs/dbraw/zinc/45/77/37/1129457737.db2.gz UPUYHGXOAABVIX-RCCFBDPRSA-N 2 1 345.512 3.959 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000466470657 1129474839 /nfs/dbraw/zinc/47/48/39/1129474839.db2.gz AHUYNTDHUCTITB-IFMALSPDSA-N 2 1 344.543 3.939 20 0 EHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000499772621 1129474865 /nfs/dbraw/zinc/47/48/65/1129474865.db2.gz MABUXCPRTFCAQW-SZPZYZBQSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000499772621 1129474867 /nfs/dbraw/zinc/47/48/67/1129474867.db2.gz MABUXCPRTFCAQW-SZPZYZBQSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000499772621 1129474868 /nfs/dbraw/zinc/47/48/68/1129474868.db2.gz MABUXCPRTFCAQW-SZPZYZBQSA-N 2 1 342.527 3.647 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCc2scnc2C)CC1)CC1CC1 ZINC000508993561 1129624720 /nfs/dbraw/zinc/62/47/20/1129624720.db2.gz YXXZMYXVTZJQGD-UHFFFAOYSA-N 2 1 335.561 3.828 20 0 EHADMP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922684376 1129625283 /nfs/dbraw/zinc/62/52/83/1129625283.db2.gz IODQSNWWLHTNEJ-CVEARBPZSA-N 2 1 337.305 3.516 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2CC)cc1)C(C)C ZINC000347783660 1129768463 /nfs/dbraw/zinc/76/84/63/1129768463.db2.gz ZPOVTTBFCABSOT-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1)C(C)C ZINC000347783660 1129768465 /nfs/dbraw/zinc/76/84/65/1129768465.db2.gz ZPOVTTBFCABSOT-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1)C(C)C ZINC000347783660 1129768468 /nfs/dbraw/zinc/76/84/68/1129768468.db2.gz ZPOVTTBFCABSOT-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc4occc4c3)CC2)C[C@H](C)O1 ZINC000347840837 1129911367 /nfs/dbraw/zinc/91/13/67/1129911367.db2.gz FBRGJORYYUYXJL-CALCHBBNSA-N 2 1 342.483 3.754 20 0 EHADMP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000675492887 1130413070 /nfs/dbraw/zinc/41/30/70/1130413070.db2.gz JAGIXWVANYLZOM-UYAOXDASSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000675739280 1130460501 /nfs/dbraw/zinc/46/05/01/1130460501.db2.gz XCMKWAAHTFIPKO-BNDIWNMDSA-N 2 1 346.359 3.968 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000675739280 1130460503 /nfs/dbraw/zinc/46/05/03/1130460503.db2.gz XCMKWAAHTFIPKO-BNDIWNMDSA-N 2 1 346.359 3.968 20 0 EHADMP Brc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166616220 1130595770 /nfs/dbraw/zinc/59/57/70/1130595770.db2.gz HKZGGMDSKRYICE-DLBZAZTESA-N 2 1 349.316 3.697 20 0 EHADMP CC(C)c1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000169232618 1130636965 /nfs/dbraw/zinc/63/69/65/1130636965.db2.gz LRHNLMDHDQPBCO-HNNXBMFYSA-N 2 1 331.460 3.589 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000347972685 1131099899 /nfs/dbraw/zinc/09/98/99/1131099899.db2.gz YMKFCQGRMGFXJY-OKZBNKHCSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000347972685 1131099906 /nfs/dbraw/zinc/09/99/06/1131099906.db2.gz YMKFCQGRMGFXJY-OKZBNKHCSA-N 2 1 343.515 3.565 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832679 1131211547 /nfs/dbraw/zinc/21/15/47/1131211547.db2.gz ZRMYLZLHCJLTBO-INIZCTEOSA-N 2 1 328.422 3.912 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832679 1131211552 /nfs/dbraw/zinc/21/15/52/1131211552.db2.gz ZRMYLZLHCJLTBO-INIZCTEOSA-N 2 1 328.422 3.912 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832679 1131211554 /nfs/dbraw/zinc/21/15/54/1131211554.db2.gz ZRMYLZLHCJLTBO-INIZCTEOSA-N 2 1 328.422 3.912 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000738088364 1131460278 /nfs/dbraw/zinc/46/02/78/1131460278.db2.gz BNNWUPKTPRUGAC-UHFFFAOYSA-N 2 1 333.501 3.973 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC3(O)CCCCC3)cc2)CC1 ZINC000738429429 1131470128 /nfs/dbraw/zinc/47/01/28/1131470128.db2.gz VEZZBDVVOZJLGK-UHFFFAOYSA-N 2 1 345.531 3.572 20 0 EHADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000741781008 1131647205 /nfs/dbraw/zinc/64/72/05/1131647205.db2.gz XTNLJFBRDNDWDI-SFHVURJKSA-N 2 1 346.515 3.562 20 0 EHADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000741781008 1131647206 /nfs/dbraw/zinc/64/72/06/1131647206.db2.gz XTNLJFBRDNDWDI-SFHVURJKSA-N 2 1 346.515 3.562 20 0 EHADMP CC[C@H](CC(C)C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001172393519 1131729554 /nfs/dbraw/zinc/72/95/54/1131729554.db2.gz YVGVGIIWJKHPOA-QGZVFWFLSA-N 2 1 343.556 3.637 20 0 EHADMP CC(C)COCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172469944 1131733109 /nfs/dbraw/zinc/73/31/09/1131733109.db2.gz YIJAMGKQRQXSFZ-IHPCNDPISA-N 2 1 333.520 3.605 20 0 EHADMP CC(C)COCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172477317 1131737081 /nfs/dbraw/zinc/73/70/81/1131737081.db2.gz WRNZQMHMUFPOAA-PZJWPPBQSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172477317 1131737086 /nfs/dbraw/zinc/73/70/86/1131737086.db2.gz WRNZQMHMUFPOAA-PZJWPPBQSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172477317 1131737094 /nfs/dbraw/zinc/73/70/94/1131737094.db2.gz WRNZQMHMUFPOAA-PZJWPPBQSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172448473 1131746134 /nfs/dbraw/zinc/74/61/34/1131746134.db2.gz MFVNBGKMLWNICJ-CTNGQTDRSA-N 2 1 330.516 3.788 20 0 EHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172714836 1131835106 /nfs/dbraw/zinc/83/51/06/1131835106.db2.gz DLTOIPOTOAHKFU-KRWDZBQOSA-N 2 1 344.861 3.896 20 0 EHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778487 1131843821 /nfs/dbraw/zinc/84/38/21/1131843821.db2.gz MPSWXUVABRWPDN-FJIDUMEYSA-N 2 1 338.536 3.726 20 0 EHADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@@H]1F ZINC001206175050 1131847029 /nfs/dbraw/zinc/84/70/29/1131847029.db2.gz RLLOWGRAAFHJJH-GJZGRUSLSA-N 2 1 339.867 3.725 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@@H]1F ZINC001206175050 1131847033 /nfs/dbraw/zinc/84/70/33/1131847033.db2.gz RLLOWGRAAFHJJH-GJZGRUSLSA-N 2 1 339.867 3.725 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001172941594 1131913195 /nfs/dbraw/zinc/91/31/95/1131913195.db2.gz XOVZZHVDLHDSQK-QWFCFKBJSA-N 2 1 346.515 3.914 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172939377 1131913319 /nfs/dbraw/zinc/91/33/19/1131913319.db2.gz OYBVYGIEDSHQCI-RTWAWAEBSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172953079 1131929991 /nfs/dbraw/zinc/92/99/91/1131929991.db2.gz YLXXSFPJTBKRLN-BDTNDASRSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953079 1131929997 /nfs/dbraw/zinc/92/99/97/1131929997.db2.gz YLXXSFPJTBKRLN-BDTNDASRSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953079 1131930004 /nfs/dbraw/zinc/93/00/04/1131930004.db2.gz YLXXSFPJTBKRLN-BDTNDASRSA-N 2 1 342.527 3.932 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC1 ZINC001173107982 1131968885 /nfs/dbraw/zinc/96/88/85/1131968885.db2.gz AAWJETVUNQAVMU-JCYILVPMSA-N 2 1 340.508 3.665 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001173112408 1131970367 /nfs/dbraw/zinc/97/03/67/1131970367.db2.gz ALJZGGDQIPVGGR-JSRAGOMMSA-N 2 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001173112408 1131970372 /nfs/dbraw/zinc/97/03/72/1131970372.db2.gz ALJZGGDQIPVGGR-JSRAGOMMSA-N 3 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001173112408 1131970376 /nfs/dbraw/zinc/97/03/76/1131970376.db2.gz ALJZGGDQIPVGGR-JSRAGOMMSA-N 3 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001173112408 1131970378 /nfs/dbraw/zinc/97/03/78/1131970378.db2.gz ALJZGGDQIPVGGR-JSRAGOMMSA-N 2 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001173112408 1131970383 /nfs/dbraw/zinc/97/03/83/1131970383.db2.gz ALJZGGDQIPVGGR-JSRAGOMMSA-N 2 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001173111676 1131970527 /nfs/dbraw/zinc/97/05/27/1131970527.db2.gz JUPNVCPLHVMKGW-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855664 1131987898 /nfs/dbraw/zinc/98/78/98/1131987898.db2.gz VTGYSGSJGMBINK-IRXDYDNUSA-N 2 1 344.421 3.545 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855664 1131987907 /nfs/dbraw/zinc/98/79/07/1131987907.db2.gz VTGYSGSJGMBINK-IRXDYDNUSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855664 1131987910 /nfs/dbraw/zinc/98/79/10/1131987910.db2.gz VTGYSGSJGMBINK-IRXDYDNUSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855664 1131987912 /nfs/dbraw/zinc/98/79/12/1131987912.db2.gz VTGYSGSJGMBINK-IRXDYDNUSA-N 2 1 344.421 3.545 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001173172513 1132001404 /nfs/dbraw/zinc/00/14/04/1132001404.db2.gz UTYAJWVENUSVLW-LNLFQRSKSA-N 2 1 332.488 3.524 20 0 EHADMP CC[N@H+]1CC[C@H](N2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)C1 ZINC001173360023 1132062439 /nfs/dbraw/zinc/06/24/39/1132062439.db2.gz HHFKUQAEAGCQPY-SFHVURJKSA-N 2 1 347.572 3.520 20 0 EHADMP COC(=O)CCCC[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173441951 1132070026 /nfs/dbraw/zinc/07/00/26/1132070026.db2.gz BKLGRKWJJGKRFJ-BHIYHBOVSA-N 2 1 338.536 3.870 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C(C)C ZINC000766384160 1132523635 /nfs/dbraw/zinc/52/36/35/1132523635.db2.gz HQDRNEIVLOLRLO-SFHVURJKSA-N 2 1 345.531 3.973 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205991734 1132534122 /nfs/dbraw/zinc/53/41/22/1132534122.db2.gz BTAFZRDQKJUTJE-RYUDHWBXSA-N 2 1 345.712 3.909 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC001175062970 1132538801 /nfs/dbraw/zinc/53/88/01/1132538801.db2.gz WDLXGRRBPWLBSZ-FQEVSTJZSA-N 2 1 346.902 3.957 20 0 EHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001169068517 1132651187 /nfs/dbraw/zinc/65/11/87/1132651187.db2.gz OVGGUIDKQMTABS-YADHBBJMSA-N 2 1 344.543 3.734 20 0 EHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001169068517 1132651190 /nfs/dbraw/zinc/65/11/90/1132651190.db2.gz OVGGUIDKQMTABS-YADHBBJMSA-N 2 1 344.543 3.734 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101103 1132656445 /nfs/dbraw/zinc/65/64/45/1132656445.db2.gz OKYDBJLRPUMBAQ-YRPNKDGESA-N 2 1 332.463 3.508 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116890 1132662238 /nfs/dbraw/zinc/66/22/38/1132662238.db2.gz SOOHPQUGXAYPGW-YXOJAJARSA-N 2 1 345.506 3.523 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116890 1132662240 /nfs/dbraw/zinc/66/22/40/1132662240.db2.gz SOOHPQUGXAYPGW-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116890 1132662245 /nfs/dbraw/zinc/66/22/45/1132662245.db2.gz SOOHPQUGXAYPGW-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116890 1132662251 /nfs/dbraw/zinc/66/22/51/1132662251.db2.gz SOOHPQUGXAYPGW-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116890 1132662254 /nfs/dbraw/zinc/66/22/54/1132662254.db2.gz SOOHPQUGXAYPGW-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3cccc(Br)c3)CC1)C2 ZINC001169107822 1132669770 /nfs/dbraw/zinc/66/97/70/1132669770.db2.gz KRDWQWFGQJKAQY-OSYLJGHBSA-N 2 1 349.316 3.696 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141396 1132673618 /nfs/dbraw/zinc/67/36/18/1132673618.db2.gz QHPHUKNPZPXMNB-NMLBUPMWSA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141396 1132673625 /nfs/dbraw/zinc/67/36/25/1132673625.db2.gz QHPHUKNPZPXMNB-NMLBUPMWSA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141396 1132673631 /nfs/dbraw/zinc/67/36/31/1132673631.db2.gz QHPHUKNPZPXMNB-NMLBUPMWSA-N 2 1 348.918 3.946 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162979 1132684428 /nfs/dbraw/zinc/68/44/28/1132684428.db2.gz WAZHXMHJGZIBDA-KYFSNAEOSA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162979 1132684433 /nfs/dbraw/zinc/68/44/33/1132684433.db2.gz WAZHXMHJGZIBDA-KYFSNAEOSA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162979 1132684439 /nfs/dbraw/zinc/68/44/39/1132684439.db2.gz WAZHXMHJGZIBDA-KYFSNAEOSA-N 2 1 328.475 3.731 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)OCc2ccc(Cl)cc23)CC1 ZINC001169262152 1132704808 /nfs/dbraw/zinc/70/48/08/1132704808.db2.gz UDMLMJJQUHVHPQ-UHFFFAOYSA-N 2 1 334.891 3.646 20 0 EHADMP CC[N@H+](Cc1cccc(Br)c1)C1CC[NH+](CC)CC1 ZINC001169266394 1132706350 /nfs/dbraw/zinc/70/63/50/1132706350.db2.gz WHMOAQAXXSOYAJ-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP CC[N@@H+](Cc1cccc(Br)c1)C1CC[NH+](CC)CC1 ZINC001169266394 1132706353 /nfs/dbraw/zinc/70/63/53/1132706353.db2.gz WHMOAQAXXSOYAJ-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001169241143 1132708064 /nfs/dbraw/zinc/70/80/64/1132708064.db2.gz IGHCOOAEIOERFA-HXUWFJFHSA-N 2 1 334.479 3.757 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304652 1132725235 /nfs/dbraw/zinc/72/52/35/1132725235.db2.gz GZYWSMDTWICCNK-UHFFFAOYSA-N 2 1 344.499 3.572 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc([Si](C)(C)C)cc3)CC2)[nH+]c1C ZINC001176201866 1132871070 /nfs/dbraw/zinc/87/10/70/1132871070.db2.gz IESMSQZHSWDNHO-UHFFFAOYSA-N 2 1 341.575 3.951 20 0 EHADMP CCCn1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001177256215 1133046679 /nfs/dbraw/zinc/04/66/79/1133046679.db2.gz BMAMNZOQWPDTGT-GOSISDBHSA-N 2 1 340.515 3.815 20 0 EHADMP C[C@H]1CCc2nc(C[NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)sc2C1 ZINC001177299500 1133048376 /nfs/dbraw/zinc/04/83/76/1133048376.db2.gz STIKMMNKRFBSLR-HOTGVXAUSA-N 2 1 335.561 3.870 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1F ZINC001206319137 1133139472 /nfs/dbraw/zinc/13/94/72/1133139472.db2.gz XZSHHJMRINRNAD-MRXNPFEDSA-N 2 1 343.284 3.848 20 0 EHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC001179123026 1133230698 /nfs/dbraw/zinc/23/06/98/1133230698.db2.gz KZORGWQUMNCRIR-NJYVYQBISA-N 2 1 330.516 3.558 20 0 EHADMP COc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)oc21 ZINC000769513482 1133306034 /nfs/dbraw/zinc/30/60/34/1133306034.db2.gz AKNCSJCCBZSTHI-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP COc1cccc2cc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)oc21 ZINC000769513482 1133306039 /nfs/dbraw/zinc/30/60/39/1133306039.db2.gz AKNCSJCCBZSTHI-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)oc21 ZINC000769513482 1133306044 /nfs/dbraw/zinc/30/60/44/1133306044.db2.gz AKNCSJCCBZSTHI-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)oc21 ZINC000769513482 1133306047 /nfs/dbraw/zinc/30/60/47/1133306047.db2.gz AKNCSJCCBZSTHI-INIZCTEOSA-N 2 1 328.456 3.605 20 0 EHADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1Br ZINC001179997462 1133311856 /nfs/dbraw/zinc/31/18/56/1133311856.db2.gz NHUSTJUPYSWLHA-HNNXBMFYSA-N 2 1 339.321 3.840 20 0 EHADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)c1Br ZINC001179997462 1133311860 /nfs/dbraw/zinc/31/18/60/1133311860.db2.gz NHUSTJUPYSWLHA-HNNXBMFYSA-N 2 1 339.321 3.840 20 0 EHADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1Br ZINC001179997462 1133311864 /nfs/dbraw/zinc/31/18/64/1133311864.db2.gz NHUSTJUPYSWLHA-HNNXBMFYSA-N 2 1 339.321 3.840 20 0 EHADMP c1cnn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000070738952 1133370257 /nfs/dbraw/zinc/37/02/57/1133370257.db2.gz SFQICVOKCGCADM-UHFFFAOYSA-N 2 1 346.478 3.627 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001181514253 1133496011 /nfs/dbraw/zinc/49/60/11/1133496011.db2.gz CFQMNUXIMJLHBU-INIZCTEOSA-N 2 1 327.472 3.681 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001181514253 1133496014 /nfs/dbraw/zinc/49/60/14/1133496014.db2.gz CFQMNUXIMJLHBU-INIZCTEOSA-N 2 1 327.472 3.681 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001181647084 1133508624 /nfs/dbraw/zinc/50/86/24/1133508624.db2.gz UEQQQNFXOBHJFU-CQSZACIVSA-N 2 1 328.422 3.910 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000152155306 1133603044 /nfs/dbraw/zinc/60/30/44/1133603044.db2.gz XNGXRVBMHXPFPN-AWEZNQCLSA-N 2 1 329.410 3.845 20 0 EHADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2Br)C1 ZINC001206541470 1133733415 /nfs/dbraw/zinc/73/34/15/1133733415.db2.gz HTAWCGUPSYSCJJ-QGZVFWFLSA-N 2 1 339.321 3.833 20 0 EHADMP CC(C)c1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316725 1133999554 /nfs/dbraw/zinc/99/95/54/1133999554.db2.gz KSPKMQVKUXXXHM-XJKSGUPXSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316725 1133999556 /nfs/dbraw/zinc/99/95/56/1133999556.db2.gz KSPKMQVKUXXXHM-XJKSGUPXSA-N 2 1 339.321 3.989 20 0 EHADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134909 1134410606 /nfs/dbraw/zinc/41/06/06/1134410606.db2.gz DUSQKDHKQYTTAA-ZHNGQKSSSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134909 1134410611 /nfs/dbraw/zinc/41/06/11/1134410611.db2.gz DUSQKDHKQYTTAA-ZHNGQKSSSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134909 1134410616 /nfs/dbraw/zinc/41/06/16/1134410616.db2.gz DUSQKDHKQYTTAA-ZHNGQKSSSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001170144493 1134467651 /nfs/dbraw/zinc/46/76/51/1134467651.db2.gz KJECYNAGMCZBPL-AZUAARDMSA-N 2 1 328.500 3.542 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[Si](C)(C)c3ccccc3)C2)CC1 ZINC001190650418 1134731991 /nfs/dbraw/zinc/73/19/91/1134731991.db2.gz CSVRGLUMELLFFR-HXUWFJFHSA-N 2 1 344.619 3.585 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205570755 1134918939 /nfs/dbraw/zinc/91/89/39/1134918939.db2.gz OBBHFELEVUQCFE-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP Cc1cc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205570755 1134918943 /nfs/dbraw/zinc/91/89/43/1134918943.db2.gz OBBHFELEVUQCFE-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790807 1134923630 /nfs/dbraw/zinc/92/36/30/1134923630.db2.gz ZLDHXARICRHNJV-NQIIRXRSSA-N 2 1 330.516 3.919 20 0 EHADMP CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790807 1134923633 /nfs/dbraw/zinc/92/36/33/1134923633.db2.gz ZLDHXARICRHNJV-NQIIRXRSSA-N 2 1 330.516 3.919 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000793526389 1134948360 /nfs/dbraw/zinc/94/83/60/1134948360.db2.gz RHMNBAWWDQBEIU-SJLPKXTDSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205636844 1135151077 /nfs/dbraw/zinc/15/10/77/1135151077.db2.gz FNAGBLWOSDSQBL-DGCLKSJQSA-N 2 1 343.284 3.703 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(C)c1Br ZINC001205638263 1135164581 /nfs/dbraw/zinc/16/45/81/1135164581.db2.gz LRDBBDOICUFQPC-WBMJQRKESA-N 2 1 339.321 3.873 20 0 EHADMP COc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)CC2CCC2)c(OC)c1 ZINC001193743781 1135174690 /nfs/dbraw/zinc/17/46/90/1135174690.db2.gz UNDWXOMOLOMSMX-LJQANCHMSA-N 2 1 346.515 3.790 20 0 EHADMP COc1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)CC2CCC2)c(OC)c1 ZINC001193743781 1135174695 /nfs/dbraw/zinc/17/46/95/1135174695.db2.gz UNDWXOMOLOMSMX-LJQANCHMSA-N 2 1 346.515 3.790 20 0 EHADMP COc1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)CC2CCC2)c(OC)c1 ZINC001193743781 1135174699 /nfs/dbraw/zinc/17/46/99/1135174699.db2.gz UNDWXOMOLOMSMX-LJQANCHMSA-N 2 1 346.515 3.790 20 0 EHADMP COc1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)CC2CCC2)c(OC)c1 ZINC001193743781 1135174700 /nfs/dbraw/zinc/17/47/00/1135174700.db2.gz UNDWXOMOLOMSMX-LJQANCHMSA-N 2 1 346.515 3.790 20 0 EHADMP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651879 1135225302 /nfs/dbraw/zinc/22/53/02/1135225302.db2.gz KZPXCRFCFUCZTE-WCQYABFASA-N 2 1 343.284 3.703 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000544579680 1135618601 /nfs/dbraw/zinc/61/86/01/1135618601.db2.gz AOAJPVXIFCGWEP-RXVVDRJESA-N 2 1 338.499 3.810 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001196943386 1135632236 /nfs/dbraw/zinc/63/22/36/1135632236.db2.gz LNGTXRNAUGHJFB-LEWJYISDSA-N 2 1 348.506 3.620 20 0 EHADMP CC[NH+](CC)CCCN(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001197184742 1135653588 /nfs/dbraw/zinc/65/35/88/1135653588.db2.gz GKKGSPREEQYHAT-OAQYLSRUSA-N 2 1 331.548 3.705 20 0 EHADMP C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368874 1135686165 /nfs/dbraw/zinc/68/61/65/1135686165.db2.gz OENFGDFIQLVSMK-SFHVURJKSA-N 2 1 331.463 3.988 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160466740 1135739001 /nfs/dbraw/zinc/73/90/01/1135739001.db2.gz WAAQZTUVQHMKOW-RXVVDRJESA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000160466740 1135739005 /nfs/dbraw/zinc/73/90/05/1135739005.db2.gz WAAQZTUVQHMKOW-RXVVDRJESA-N 2 1 341.543 3.646 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001198968452 1135869974 /nfs/dbraw/zinc/86/99/74/1135869974.db2.gz IKFMYQBZQFANJE-QRVBRYPASA-N 2 1 349.588 3.985 20 0 EHADMP CCn1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC001199321519 1135897471 /nfs/dbraw/zinc/89/74/71/1135897471.db2.gz ZWWKPXJMIZHMOF-HDICACEKSA-N 2 1 340.515 3.671 20 0 EHADMP CCn1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC001199321519 1135897474 /nfs/dbraw/zinc/89/74/74/1135897474.db2.gz ZWWKPXJMIZHMOF-HDICACEKSA-N 2 1 340.515 3.671 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C(C)C ZINC001200921257 1135965890 /nfs/dbraw/zinc/96/58/90/1135965890.db2.gz FUXHKGFZLPOJFB-UHFFFAOYSA-N 2 1 333.451 3.678 20 0 EHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001201954377 1136078044 /nfs/dbraw/zinc/07/80/44/1136078044.db2.gz NKUJFIGMFXOGPJ-VLCRHTCISA-N 2 1 344.543 3.948 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cn1 ZINC000811475719 1136096391 /nfs/dbraw/zinc/09/63/91/1136096391.db2.gz RPECNLNDUIFEMR-UHFFFAOYSA-N 2 1 344.821 3.701 20 0 EHADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001202176388 1136105578 /nfs/dbraw/zinc/10/55/78/1136105578.db2.gz PYRFQSVLTTYEFT-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]1C[C@@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001202176388 1136105580 /nfs/dbraw/zinc/10/55/80/1136105580.db2.gz PYRFQSVLTTYEFT-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851812312 1136410865 /nfs/dbraw/zinc/41/08/65/1136410865.db2.gz HNDPIAMPBDAQHV-MJGOQNOKSA-N 2 1 338.536 3.505 20 0 EHADMP CO[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000851880866 1136415310 /nfs/dbraw/zinc/41/53/10/1136415310.db2.gz DKNCUSIXIIUFBY-WOJBJXKFSA-N 2 1 328.500 3.542 20 0 EHADMP Cn1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1Cl ZINC000815122206 1136553344 /nfs/dbraw/zinc/55/33/44/1136553344.db2.gz JAKAWXQWEVVLSH-UHFFFAOYSA-N 2 1 346.906 3.739 20 0 EHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000815554892 1136610174 /nfs/dbraw/zinc/61/01/74/1136610174.db2.gz LFMHJAJAAXCELO-KRWDZBQOSA-N 2 1 342.458 3.817 20 0 EHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000815615348 1136618924 /nfs/dbraw/zinc/61/89/24/1136618924.db2.gz NYSXJRPDZOIURF-OXJNMPFZSA-N 2 1 342.458 3.552 20 0 EHADMP CC/C=C\CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604828 1136798180 /nfs/dbraw/zinc/79/81/80/1136798180.db2.gz RWLXHAMWUPUEIN-HCZHMGAMSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C\CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604828 1136798183 /nfs/dbraw/zinc/79/81/83/1136798183.db2.gz RWLXHAMWUPUEIN-HCZHMGAMSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C\CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604828 1136798185 /nfs/dbraw/zinc/79/81/85/1136798185.db2.gz RWLXHAMWUPUEIN-HCZHMGAMSA-N 2 1 331.504 3.731 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817891152 1136843597 /nfs/dbraw/zinc/84/35/97/1136843597.db2.gz GVSVKUYREDAYTH-KPOBHBOGSA-N 2 1 335.451 3.609 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)ccc1OC ZINC000817981593 1136855131 /nfs/dbraw/zinc/85/51/31/1136855131.db2.gz LRRUBNFAHADDDV-UZLBHIALSA-N 2 1 347.547 3.705 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818340499 1136871895 /nfs/dbraw/zinc/87/18/95/1136871895.db2.gz OGICGLCOEKQWFV-CYBMUJFWSA-N 2 1 326.456 3.965 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000818960284 1136891511 /nfs/dbraw/zinc/89/15/11/1136891511.db2.gz GWIZBVCTCODWOA-FCEWJHQRSA-N 2 1 338.923 3.721 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000818961076 1136891782 /nfs/dbraw/zinc/89/17/82/1136891782.db2.gz MOPAHRIDBMZTDB-NRFANRHFSA-N 2 1 344.474 3.798 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000818971522 1136900781 /nfs/dbraw/zinc/90/07/81/1136900781.db2.gz XXJZWZGHZOPING-IBGZPJMESA-N 2 1 332.875 3.615 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857847536 1136911984 /nfs/dbraw/zinc/91/19/84/1136911984.db2.gz QNCHOJMTWYFQJX-HXUWFJFHSA-N 2 1 338.499 3.809 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857847536 1136911987 /nfs/dbraw/zinc/91/19/87/1136911987.db2.gz QNCHOJMTWYFQJX-HXUWFJFHSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2)C1 ZINC000857846537 1136912248 /nfs/dbraw/zinc/91/22/48/1136912248.db2.gz COLQKLUADJIQKX-JXFKEZNVSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846537 1136912258 /nfs/dbraw/zinc/91/22/58/1136912258.db2.gz COLQKLUADJIQKX-JXFKEZNVSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846537 1136912261 /nfs/dbraw/zinc/91/22/61/1136912261.db2.gz COLQKLUADJIQKX-JXFKEZNVSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857909814 1136920898 /nfs/dbraw/zinc/92/08/98/1136920898.db2.gz BSRZXCIQEYMGIU-QRTARXTBSA-N 2 1 333.907 3.965 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857909814 1136920899 /nfs/dbraw/zinc/92/08/99/1136920899.db2.gz BSRZXCIQEYMGIU-QRTARXTBSA-N 2 1 333.907 3.965 20 0 EHADMP Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000858244596 1136952073 /nfs/dbraw/zinc/95/20/73/1136952073.db2.gz DPIRFWLOLCGCDN-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c(CO)c1 ZINC000858352333 1136960618 /nfs/dbraw/zinc/96/06/18/1136960618.db2.gz YZTLXEXPHGFBRV-INIZCTEOSA-N 2 1 325.456 3.560 20 0 EHADMP Fc1cccc2c1C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001170949859 1136997165 /nfs/dbraw/zinc/99/71/65/1136997165.db2.gz OZNBXZZVWTXGHE-UYAOXDASSA-N 2 1 338.470 3.795 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000820810707 1137005167 /nfs/dbraw/zinc/00/51/67/1137005167.db2.gz CQDLAVFQYHFSML-INIZCTEOSA-N 2 1 343.490 3.800 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nsc3ccccc32)cc1 ZINC000859213333 1137008010 /nfs/dbraw/zinc/00/80/10/1137008010.db2.gz VRWZEUXRSMECFF-UHFFFAOYSA-N 2 1 325.481 3.990 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nsc3ccccc32)cc1 ZINC000859213333 1137008011 /nfs/dbraw/zinc/00/80/11/1137008011.db2.gz VRWZEUXRSMECFF-UHFFFAOYSA-N 2 1 325.481 3.990 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000824428243 1137137554 /nfs/dbraw/zinc/13/75/54/1137137554.db2.gz QEVZQTZNFOTIGS-KXIRRUNCSA-N 2 1 328.500 3.728 20 0 EHADMP Cc1ccccc1[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000120048086 1137227534 /nfs/dbraw/zinc/22/75/34/1137227534.db2.gz QNLWHMKYGIGFBD-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000120048086 1137227536 /nfs/dbraw/zinc/22/75/36/1137227536.db2.gz QNLWHMKYGIGFBD-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000120048086 1137227537 /nfs/dbraw/zinc/22/75/37/1137227537.db2.gz QNLWHMKYGIGFBD-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120048086 1137227539 /nfs/dbraw/zinc/22/75/39/1137227539.db2.gz QNLWHMKYGIGFBD-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120048086 1137227540 /nfs/dbraw/zinc/22/75/40/1137227540.db2.gz QNLWHMKYGIGFBD-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1c(O)cccc1CN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001144120969 1137240979 /nfs/dbraw/zinc/24/09/79/1137240979.db2.gz DLPUAQXDWHZWBO-UHFFFAOYSA-N 2 1 342.458 3.936 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171162302 1137274304 /nfs/dbraw/zinc/27/43/04/1137274304.db2.gz PFYZAVPWIDPVGS-KBMXLJTQSA-N 2 1 339.310 3.734 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C4CC4)cn3)cc2)CC1 ZINC000865406740 1137280593 /nfs/dbraw/zinc/28/05/93/1137280593.db2.gz GKYYTFYKDQTWIU-UHFFFAOYSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C4CC4)cn3)cc2)C1 ZINC000865414576 1137281558 /nfs/dbraw/zinc/28/15/58/1137281558.db2.gz UINVSCSREIMUBQ-KRWDZBQOSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C4CC4)cn3)cc2)C1 ZINC000865414576 1137281560 /nfs/dbraw/zinc/28/15/60/1137281560.db2.gz UINVSCSREIMUBQ-KRWDZBQOSA-N 2 1 338.499 3.740 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144385902 1137282069 /nfs/dbraw/zinc/28/20/69/1137282069.db2.gz JYQNQKCJSPHLAS-UHFFFAOYSA-N 2 1 344.421 3.963 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000865758897 1137308933 /nfs/dbraw/zinc/30/89/33/1137308933.db2.gz FCFNDEKDBZKJOP-CIQXWFTPSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000865758897 1137308934 /nfs/dbraw/zinc/30/89/34/1137308934.db2.gz FCFNDEKDBZKJOP-CIQXWFTPSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578825 1137321799 /nfs/dbraw/zinc/32/17/99/1137321799.db2.gz CPFZJVKQCPXFJR-RHSMWYFYSA-N 2 1 339.321 3.831 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578827 1137321995 /nfs/dbraw/zinc/32/19/95/1137321995.db2.gz CPFZJVKQCPXFJR-WMLDXEAASA-N 2 1 339.321 3.831 20 0 EHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cc(Br)c1)CC2 ZINC001144690187 1137331461 /nfs/dbraw/zinc/33/14/61/1137331461.db2.gz ZADWRFHWBAGXKO-UHFFFAOYSA-N 2 1 343.696 3.630 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000846218823 1137342119 /nfs/dbraw/zinc/34/21/19/1137342119.db2.gz XVQIHKGMXNLHIC-INIZCTEOSA-N 2 1 346.450 3.574 20 0 EHADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866470462 1137357513 /nfs/dbraw/zinc/35/75/13/1137357513.db2.gz UMDKXUKZKPEZIW-MRXNPFEDSA-N 2 1 326.488 3.671 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704192 1137374527 /nfs/dbraw/zinc/37/45/27/1137374527.db2.gz MQCRWKGPFXWPGW-UWJYYQICSA-N 2 1 345.531 3.636 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704192 1137374529 /nfs/dbraw/zinc/37/45/29/1137374529.db2.gz MQCRWKGPFXWPGW-UWJYYQICSA-N 2 1 345.531 3.636 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000773046509 1137461636 /nfs/dbraw/zinc/46/16/36/1137461636.db2.gz STUUAHSQKBBSLG-PXAZEXFGSA-N 2 1 342.886 3.754 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171412033 1137476098 /nfs/dbraw/zinc/47/60/98/1137476098.db2.gz REWVPMRPIGILMO-VQIMIIECSA-N 2 1 326.459 3.780 20 0 EHADMP C[C@@H]1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000716619615 1137488076 /nfs/dbraw/zinc/48/80/76/1137488076.db2.gz GDXPABBADIDLFZ-WDMKGZBDSA-N 2 1 328.500 3.585 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171487453 1137491249 /nfs/dbraw/zinc/49/12/49/1137491249.db2.gz JTZKJESLZLMYCJ-SFHVURJKSA-N 2 1 336.470 3.874 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171496303 1137491853 /nfs/dbraw/zinc/49/18/53/1137491853.db2.gz OGRZLBLSMQHYSR-QGZVFWFLSA-N 2 1 334.454 3.772 20 0 EHADMP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000123204367 1137501213 /nfs/dbraw/zinc/50/12/13/1137501213.db2.gz FXYXSZPVVIGBHV-FQEVSTJZSA-N 2 1 344.499 3.700 20 0 EHADMP CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000123204367 1137501214 /nfs/dbraw/zinc/50/12/14/1137501214.db2.gz FXYXSZPVVIGBHV-FQEVSTJZSA-N 2 1 344.499 3.700 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638173 1137504885 /nfs/dbraw/zinc/50/48/85/1137504885.db2.gz VGMNHCDRYLPBDD-SFHVURJKSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638173 1137504886 /nfs/dbraw/zinc/50/48/86/1137504886.db2.gz VGMNHCDRYLPBDD-SFHVURJKSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638173 1137504887 /nfs/dbraw/zinc/50/48/87/1137504887.db2.gz VGMNHCDRYLPBDD-SFHVURJKSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@H]1C[C@H](n2nc(-c3ccccc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724803 1137505927 /nfs/dbraw/zinc/50/59/27/1137505927.db2.gz BHYXZOSOHRJEED-UWJYYQICSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725294 1137506268 /nfs/dbraw/zinc/50/62/68/1137506268.db2.gz ISNXUBYZMMAOGU-FZKQIMNGSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725294 1137506269 /nfs/dbraw/zinc/50/62/69/1137506269.db2.gz ISNXUBYZMMAOGU-FZKQIMNGSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727602 1137506875 /nfs/dbraw/zinc/50/68/75/1137506875.db2.gz XARBHEMEKKTZCN-BQFCYCMXSA-N 2 1 334.467 3.892 20 0 EHADMP C[C@@H]1C[C@@H](n2c3ccccc3c3c2C[C@H]([NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC001171732693 1137507001 /nfs/dbraw/zinc/50/70/01/1137507001.db2.gz LGONQEGRBGDIJG-BHIYHBOVSA-N 2 1 345.490 3.903 20 0 EHADMP C[C@H]1C[C@@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171732356 1137507145 /nfs/dbraw/zinc/50/71/45/1137507145.db2.gz JFIKLRZWHWWLCP-PKOBYXMFSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CN1Cc1ccccc1 ZINC001171732356 1137507147 /nfs/dbraw/zinc/50/71/47/1137507147.db2.gz JFIKLRZWHWWLCP-PKOBYXMFSA-N 2 1 343.559 3.890 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171773953 1137509910 /nfs/dbraw/zinc/50/99/10/1137509910.db2.gz RVLXMJNWOHCWGC-QUCCMNQESA-N 2 1 338.470 3.795 20 0 EHADMP Fc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171773954 1137509989 /nfs/dbraw/zinc/50/99/89/1137509989.db2.gz RVLXMJNWOHCWGC-UYAOXDASSA-N 2 1 338.470 3.795 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171737090 1137510492 /nfs/dbraw/zinc/51/04/92/1137510492.db2.gz ATMZAYZRKDZKDK-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171737090 1137510494 /nfs/dbraw/zinc/51/04/94/1137510494.db2.gz ATMZAYZRKDZKDK-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171737090 1137510495 /nfs/dbraw/zinc/51/04/95/1137510495.db2.gz ATMZAYZRKDZKDK-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccc(Cl)cc2)C[N@H+]1Cc1ccccc1 ZINC001171738756 1137510778 /nfs/dbraw/zinc/51/07/78/1137510778.db2.gz NFIGEQNBYCJYAT-KSSFIOAISA-N 2 1 342.874 3.703 20 0 EHADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738442 1137510976 /nfs/dbraw/zinc/51/09/76/1137510976.db2.gz JBBJPNCYNHDZOB-CEWLAPEOSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738442 1137510977 /nfs/dbraw/zinc/51/09/77/1137510977.db2.gz JBBJPNCYNHDZOB-CEWLAPEOSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738442 1137510979 /nfs/dbraw/zinc/51/09/79/1137510979.db2.gz JBBJPNCYNHDZOB-CEWLAPEOSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171967828 1137520848 /nfs/dbraw/zinc/52/08/48/1137520848.db2.gz NNOVJHINXDMKFI-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967828 1137520849 /nfs/dbraw/zinc/52/08/49/1137520849.db2.gz NNOVJHINXDMKFI-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967828 1137520851 /nfs/dbraw/zinc/52/08/51/1137520851.db2.gz NNOVJHINXDMKFI-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967828 1137520853 /nfs/dbraw/zinc/52/08/53/1137520853.db2.gz NNOVJHINXDMKFI-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967828 1137520855 /nfs/dbraw/zinc/52/08/55/1137520855.db2.gz NNOVJHINXDMKFI-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171967807 1137520967 /nfs/dbraw/zinc/52/09/67/1137520967.db2.gz NHPIYAGLWFORML-VQTJNVASSA-N 2 1 330.516 3.978 20 0 EHADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171968786 1137523426 /nfs/dbraw/zinc/52/34/26/1137523426.db2.gz RHCFRQWNIPRGSQ-OAQYLSRUSA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H](N2C[C@H](C[NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974584 1137524854 /nfs/dbraw/zinc/52/48/54/1137524854.db2.gz HZXVFQBGZVEYLQ-VQTJNVASSA-N 2 1 349.522 3.992 20 0 EHADMP COCC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975866 1137525191 /nfs/dbraw/zinc/52/51/91/1137525191.db2.gz GXEGHDVHAILXHX-HXUWFJFHSA-N 2 1 330.516 3.788 20 0 EHADMP COC[C@H]1CCCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976395 1137525504 /nfs/dbraw/zinc/52/55/04/1137525504.db2.gz KUGMBDPVGOTZOK-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@H]1CCCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976395 1137525506 /nfs/dbraw/zinc/52/55/06/1137525506.db2.gz KUGMBDPVGOTZOK-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@H]1CCCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976395 1137525507 /nfs/dbraw/zinc/52/55/07/1137525507.db2.gz KUGMBDPVGOTZOK-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@H]1CCCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976395 1137525509 /nfs/dbraw/zinc/52/55/09/1137525509.db2.gz KUGMBDPVGOTZOK-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@@H](N2CC[NH+]3CCCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979242 1137525963 /nfs/dbraw/zinc/52/59/63/1137525963.db2.gz ABSGEICKDZTJNM-LEWJYISDSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979242 1137525965 /nfs/dbraw/zinc/52/59/65/1137525965.db2.gz ABSGEICKDZTJNM-LEWJYISDSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CC[N@H+]3CCCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979242 1137525967 /nfs/dbraw/zinc/52/59/67/1137525967.db2.gz ABSGEICKDZTJNM-LEWJYISDSA-N 2 1 341.543 3.600 20 0 EHADMP C[NH+](C)CC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980046 1137526681 /nfs/dbraw/zinc/52/66/81/1137526681.db2.gz CUXVYZLBTJADFH-OAQYLSRUSA-N 3 1 343.559 3.703 20 0 EHADMP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980046 1137526683 /nfs/dbraw/zinc/52/66/83/1137526683.db2.gz CUXVYZLBTJADFH-OAQYLSRUSA-N 2 1 343.559 3.703 20 0 EHADMP C[NH2+]CCN([C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171985984 1137527338 /nfs/dbraw/zinc/52/73/38/1137527338.db2.gz DMIWTYFDGDHCQD-IBGZPJMESA-N 2 1 331.548 3.750 20 0 EHADMP CC(C)(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985914 1137527362 /nfs/dbraw/zinc/52/73/62/1137527362.db2.gz DGLYGTLOGUMVOJ-HXUWFJFHSA-N 2 1 343.559 3.846 20 0 EHADMP C[N@H+]1CCC[C@@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172071768 1137529660 /nfs/dbraw/zinc/52/96/60/1137529660.db2.gz YRNWYMYQPCMZDW-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071768 1137529662 /nfs/dbraw/zinc/52/96/62/1137529662.db2.gz YRNWYMYQPCMZDW-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071768 1137529663 /nfs/dbraw/zinc/52/96/63/1137529663.db2.gz YRNWYMYQPCMZDW-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071768 1137529665 /nfs/dbraw/zinc/52/96/65/1137529665.db2.gz YRNWYMYQPCMZDW-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071768 1137529666 /nfs/dbraw/zinc/52/96/66/1137529666.db2.gz YRNWYMYQPCMZDW-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@]1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001172080405 1137531005 /nfs/dbraw/zinc/53/10/05/1137531005.db2.gz VMLBFQLRCNPUFF-BURNTYAHSA-N 2 1 328.500 3.731 20 0 EHADMP c1cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001172088992 1137531990 /nfs/dbraw/zinc/53/19/90/1137531990.db2.gz PGYMCFLHCOMZSV-AERCQKQUSA-N 2 1 335.495 3.892 20 0 EHADMP CC[N@H+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086819 1137532198 /nfs/dbraw/zinc/53/21/98/1137532198.db2.gz JDEVFQOCLBLQSW-PSWRPDDJSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086819 1137532200 /nfs/dbraw/zinc/53/22/00/1137532200.db2.gz JDEVFQOCLBLQSW-PSWRPDDJSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086819 1137532202 /nfs/dbraw/zinc/53/22/02/1137532202.db2.gz JDEVFQOCLBLQSW-PSWRPDDJSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@H](C[NH+]1CCCC1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062705 1137533219 /nfs/dbraw/zinc/53/32/19/1137533219.db2.gz QUULFEXRMZYQMW-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@@H+](CC1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068088 1137534361 /nfs/dbraw/zinc/53/43/61/1137534361.db2.gz HGFLBFRDRWNYOS-KOUNCHBCSA-N 2 1 342.527 3.931 20 0 EHADMP C[NH+](CC1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068088 1137534362 /nfs/dbraw/zinc/53/43/62/1137534362.db2.gz HGFLBFRDRWNYOS-KOUNCHBCSA-N 2 1 342.527 3.931 20 0 EHADMP C[NH+](CC1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068088 1137534364 /nfs/dbraw/zinc/53/43/64/1137534364.db2.gz HGFLBFRDRWNYOS-KOUNCHBCSA-N 2 1 342.527 3.931 20 0 EHADMP OC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172067590 1137534621 /nfs/dbraw/zinc/53/46/21/1137534621.db2.gz HFCBHBPECPESHZ-WKCHPHFGSA-N 2 1 342.527 3.857 20 0 EHADMP COc1ccccc1C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172124542 1137535082 /nfs/dbraw/zinc/53/50/82/1137535082.db2.gz LJKXOWGFGVHPDZ-BWTSREIZSA-N 2 1 328.500 3.890 20 0 EHADMP COc1ccccc1C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172124542 1137535083 /nfs/dbraw/zinc/53/50/83/1137535083.db2.gz LJKXOWGFGVHPDZ-BWTSREIZSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc(CC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172128819 1137535836 /nfs/dbraw/zinc/53/58/36/1137535836.db2.gz UPBVIFQSPHWYQO-WKCHPHFGSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(CC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172128819 1137535838 /nfs/dbraw/zinc/53/58/38/1137535838.db2.gz UPBVIFQSPHWYQO-WKCHPHFGSA-N 2 1 342.527 3.965 20 0 EHADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132508 1137535899 /nfs/dbraw/zinc/53/58/99/1137535899.db2.gz LYBDJCQPZBNDGY-CIAFKFPVSA-N 2 1 341.543 3.598 20 0 EHADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132508 1137535900 /nfs/dbraw/zinc/53/59/00/1137535900.db2.gz LYBDJCQPZBNDGY-CIAFKFPVSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(Br)s1)C2 ZINC001172111171 1137537866 /nfs/dbraw/zinc/53/78/66/1137537866.db2.gz STQCRXNXOBNGCI-XYYAHUGASA-N 2 1 343.334 3.658 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112492 1137537940 /nfs/dbraw/zinc/53/79/40/1137537940.db2.gz WMAFDOZBSDWOKY-YXOJAJARSA-N 2 1 333.564 3.764 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112492 1137537941 /nfs/dbraw/zinc/53/79/41/1137537941.db2.gz WMAFDOZBSDWOKY-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112492 1137537942 /nfs/dbraw/zinc/53/79/42/1137537942.db2.gz WMAFDOZBSDWOKY-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112492 1137537943 /nfs/dbraw/zinc/53/79/43/1137537943.db2.gz WMAFDOZBSDWOKY-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112492 1137537944 /nfs/dbraw/zinc/53/79/44/1137537944.db2.gz WMAFDOZBSDWOKY-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP Cc1ccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172121163 1137538394 /nfs/dbraw/zinc/53/83/94/1137538394.db2.gz IMBRVLOZFPQTRB-JTJHWIPRSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172121163 1137538396 /nfs/dbraw/zinc/53/83/96/1137538396.db2.gz IMBRVLOZFPQTRB-JTJHWIPRSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121163 1137538398 /nfs/dbraw/zinc/53/83/98/1137538398.db2.gz IMBRVLOZFPQTRB-JTJHWIPRSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121163 1137538399 /nfs/dbraw/zinc/53/83/99/1137538399.db2.gz IMBRVLOZFPQTRB-JTJHWIPRSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172121166 1137538414 /nfs/dbraw/zinc/53/84/14/1137538414.db2.gz IMBRVLOZFPQTRB-XODKDNOYSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172121166 1137538416 /nfs/dbraw/zinc/53/84/16/1137538416.db2.gz IMBRVLOZFPQTRB-XODKDNOYSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121166 1137538418 /nfs/dbraw/zinc/53/84/18/1137538418.db2.gz IMBRVLOZFPQTRB-XODKDNOYSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121166 1137538420 /nfs/dbraw/zinc/53/84/20/1137538420.db2.gz IMBRVLOZFPQTRB-XODKDNOYSA-N 2 1 328.500 3.854 20 0 EHADMP C[N@H+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116697 1137538631 /nfs/dbraw/zinc/53/86/31/1137538631.db2.gz BXDUNLJAJOUYLS-WDNDVIMCSA-N 2 1 327.394 3.548 20 0 EHADMP C[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116697 1137538632 /nfs/dbraw/zinc/53/86/32/1137538632.db2.gz BXDUNLJAJOUYLS-WDNDVIMCSA-N 2 1 327.394 3.548 20 0 EHADMP C[NH+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116697 1137538634 /nfs/dbraw/zinc/53/86/34/1137538634.db2.gz BXDUNLJAJOUYLS-WDNDVIMCSA-N 2 1 327.394 3.548 20 0 EHADMP C[NH+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116697 1137538636 /nfs/dbraw/zinc/53/86/36/1137538636.db2.gz BXDUNLJAJOUYLS-WDNDVIMCSA-N 2 1 327.394 3.548 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(F)cc3)CC1)C2 ZINC001172123087 1137539048 /nfs/dbraw/zinc/53/90/48/1137539048.db2.gz XOCXXQKNHMSHNP-PIIMJCKOSA-N 2 1 332.463 3.684 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(F)cc3)CC1)C2 ZINC001172123087 1137539050 /nfs/dbraw/zinc/53/90/50/1137539050.db2.gz XOCXXQKNHMSHNP-PIIMJCKOSA-N 2 1 332.463 3.684 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172221117 1137541995 /nfs/dbraw/zinc/54/19/95/1137541995.db2.gz OKXVKRKISOPWAS-LJRDSGNISA-N 2 1 332.463 3.608 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172226956 1137542130 /nfs/dbraw/zinc/54/21/30/1137542130.db2.gz LLWHIMPKCUYSIM-IHWFROFDSA-N 2 1 348.918 3.946 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172226956 1137542131 /nfs/dbraw/zinc/54/21/31/1137542131.db2.gz LLWHIMPKCUYSIM-IHWFROFDSA-N 2 1 348.918 3.946 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172229444 1137542381 /nfs/dbraw/zinc/54/23/81/1137542381.db2.gz MDBRUTIMWGUNCV-XBOCFXMGSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172229444 1137542383 /nfs/dbraw/zinc/54/23/83/1137542383.db2.gz MDBRUTIMWGUNCV-XBOCFXMGSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172229444 1137542385 /nfs/dbraw/zinc/54/23/85/1137542385.db2.gz MDBRUTIMWGUNCV-XBOCFXMGSA-N 2 1 340.511 3.540 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CO1 ZINC001172277396 1137543985 /nfs/dbraw/zinc/54/39/85/1137543985.db2.gz ICGMWKSDOLRDKO-ZCFHBRKKSA-N 2 1 328.500 3.682 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CCC2)CC1 ZINC001172246506 1137544255 /nfs/dbraw/zinc/54/42/55/1137544255.db2.gz KXQOVLSNFLXELT-HXUWFJFHSA-N 2 1 334.479 3.757 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001172253797 1137544657 /nfs/dbraw/zinc/54/46/57/1137544657.db2.gz CAAWPKUVNGHZQZ-IBGZPJMESA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001172253797 1137544658 /nfs/dbraw/zinc/54/46/58/1137544658.db2.gz CAAWPKUVNGHZQZ-IBGZPJMESA-N 2 1 336.907 3.978 20 0 EHADMP CC[C@@H](CC(C)C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001172405171 1137555648 /nfs/dbraw/zinc/55/56/48/1137555648.db2.gz TXTFPRIWXDIFGB-FQEVSTJZSA-N 2 1 346.515 3.852 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001172421343 1137556494 /nfs/dbraw/zinc/55/64/94/1137556494.db2.gz SFWLLAASBZCSJX-MRXNPFEDSA-N 2 1 349.519 3.537 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131472 1137573352 /nfs/dbraw/zinc/57/33/52/1137573352.db2.gz VCCQSXBVYYOUQU-LBPRGKRZSA-N 2 1 327.394 3.625 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000872149432 1137574042 /nfs/dbraw/zinc/57/40/42/1137574042.db2.gz NMAKOBBLEGFAGB-MFKMUULPSA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000872149432 1137574043 /nfs/dbraw/zinc/57/40/43/1137574043.db2.gz NMAKOBBLEGFAGB-MFKMUULPSA-N 2 1 338.826 3.501 20 0 EHADMP Cc1sc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Br ZINC000873025754 1137588391 /nfs/dbraw/zinc/58/83/91/1137588391.db2.gz KWAAFFKELRLQGB-UHFFFAOYSA-N 2 1 343.334 3.926 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811253 1137662064 /nfs/dbraw/zinc/66/20/64/1137662064.db2.gz JEMYSCHCDHHOKP-RLLQIKCJSA-N 2 1 346.515 3.547 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811253 1137662065 /nfs/dbraw/zinc/66/20/65/1137662065.db2.gz JEMYSCHCDHHOKP-RLLQIKCJSA-N 2 1 346.515 3.547 20 0 EHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CC1(F)F ZINC000876866885 1137664243 /nfs/dbraw/zinc/66/42/43/1137664243.db2.gz MDSPCXVEZWTJBA-KBXCAEBGSA-N 2 1 337.458 3.920 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000876890970 1137664705 /nfs/dbraw/zinc/66/47/05/1137664705.db2.gz MXSYGUOVZLLCEV-ILWGZMRPSA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000876890970 1137664706 /nfs/dbraw/zinc/66/47/06/1137664706.db2.gz MXSYGUOVZLLCEV-ILWGZMRPSA-N 2 1 336.479 3.678 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]CCC(C)(C)SC)CCCC2)CC1 ZINC000877045616 1137668510 /nfs/dbraw/zinc/66/85/10/1137668510.db2.gz BQDVTETYFMFQIN-UHFFFAOYSA-N 2 1 328.566 3.531 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054340 1137668792 /nfs/dbraw/zinc/66/87/92/1137668792.db2.gz HHUPQHLDGQBLMR-YRGRVCCFSA-N 2 1 333.328 3.914 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054340 1137668793 /nfs/dbraw/zinc/66/87/93/1137668793.db2.gz HHUPQHLDGQBLMR-YRGRVCCFSA-N 2 1 333.328 3.914 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877115608 1137670618 /nfs/dbraw/zinc/67/06/18/1137670618.db2.gz QKGSPVYBKNXNBD-YLJYHZDGSA-N 2 1 341.524 3.952 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877115608 1137670619 /nfs/dbraw/zinc/67/06/19/1137670619.db2.gz QKGSPVYBKNXNBD-YLJYHZDGSA-N 2 1 341.524 3.952 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc4c(F)cccc4c3)C2)CC1 ZINC000877495793 1137678569 /nfs/dbraw/zinc/67/85/69/1137678569.db2.gz FZGLZUNKNBWXCW-UHFFFAOYSA-N 2 1 327.447 3.682 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000877524917 1137679597 /nfs/dbraw/zinc/67/95/97/1137679597.db2.gz KOEMVOGVSVKEBA-ZWKOTPCHSA-N 2 1 325.500 3.876 20 0 EHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCC2)O1 ZINC000878151282 1137704613 /nfs/dbraw/zinc/70/46/13/1137704613.db2.gz WYJKLUJPGLHGJN-UXHICEINSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCC2)O1 ZINC000878151282 1137704614 /nfs/dbraw/zinc/70/46/14/1137704614.db2.gz WYJKLUJPGLHGJN-UXHICEINSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCC2)O1 ZINC000878151282 1137704615 /nfs/dbraw/zinc/70/46/15/1137704615.db2.gz WYJKLUJPGLHGJN-UXHICEINSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878339581 1137711446 /nfs/dbraw/zinc/71/14/46/1137711446.db2.gz OSUKFARTJYTQAB-WOJBJXKFSA-N 2 1 328.500 3.857 20 0 EHADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878339581 1137711447 /nfs/dbraw/zinc/71/14/47/1137711447.db2.gz OSUKFARTJYTQAB-WOJBJXKFSA-N 2 1 328.500 3.857 20 0 EHADMP C[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608315 1137722019 /nfs/dbraw/zinc/72/20/19/1137722019.db2.gz OJDJMAASNJNSFN-CKQIIDDLSA-N 2 1 343.298 3.584 20 0 EHADMP C[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608315 1137722020 /nfs/dbraw/zinc/72/20/20/1137722020.db2.gz OJDJMAASNJNSFN-CKQIIDDLSA-N 2 1 343.298 3.584 20 0 EHADMP C[NH+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608315 1137722021 /nfs/dbraw/zinc/72/20/21/1137722021.db2.gz OJDJMAASNJNSFN-CKQIIDDLSA-N 2 1 343.298 3.584 20 0 EHADMP C[NH+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608315 1137722022 /nfs/dbraw/zinc/72/20/22/1137722022.db2.gz OJDJMAASNJNSFN-CKQIIDDLSA-N 2 1 343.298 3.584 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919773 1137762443 /nfs/dbraw/zinc/76/24/43/1137762443.db2.gz SZSSHUHTEHUVKF-KRWDZBQOSA-N 2 1 329.492 3.698 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919773 1137762444 /nfs/dbraw/zinc/76/24/44/1137762444.db2.gz SZSSHUHTEHUVKF-KRWDZBQOSA-N 2 1 329.492 3.698 20 0 EHADMP Clc1ccc2[nH+]ccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882726271 1137832580 /nfs/dbraw/zinc/83/25/80/1137832580.db2.gz PDYPJRPLKMQPCD-MRXNPFEDSA-N 2 1 345.874 3.626 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883192862 1137847972 /nfs/dbraw/zinc/84/79/72/1137847972.db2.gz JKTXWOAQKVCLBK-FQEVSTJZSA-N 2 1 345.462 3.868 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000883321262 1137854768 /nfs/dbraw/zinc/85/47/68/1137854768.db2.gz WJGUMVRQRDRTLA-MRXNPFEDSA-N 2 1 346.272 3.687 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCOC1 ZINC000883351388 1137856898 /nfs/dbraw/zinc/85/68/98/1137856898.db2.gz DXMBEYVECDFRBS-YXIAPDDASA-N 2 1 342.527 3.977 20 0 EHADMP c1ccc(C[NH+]2CCC(NCC3=Cc4ccccc4OC3)CC2)cc1 ZINC000102419037 1137873090 /nfs/dbraw/zinc/87/30/90/1137873090.db2.gz DZXULMFEQZISTP-UHFFFAOYSA-N 2 1 334.463 3.717 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000102419037 1137873091 /nfs/dbraw/zinc/87/30/91/1137873091.db2.gz DZXULMFEQZISTP-UHFFFAOYSA-N 2 1 334.463 3.717 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000348260197 1137886281 /nfs/dbraw/zinc/88/62/81/1137886281.db2.gz BJLBTLCVSQCFRH-UHFFFAOYSA-N 2 1 335.455 3.637 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000348260197 1137886282 /nfs/dbraw/zinc/88/62/82/1137886282.db2.gz BJLBTLCVSQCFRH-UHFFFAOYSA-N 2 1 335.455 3.637 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCC2CCOCC2)C3)cc1 ZINC001202669193 1137915330 /nfs/dbraw/zinc/91/53/30/1137915330.db2.gz WJJFWFGFJNSLBL-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCC2CCOCC2)C3)cc1 ZINC001202669193 1137915331 /nfs/dbraw/zinc/91/53/31/1137915331.db2.gz WJJFWFGFJNSLBL-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCC2CCOCC2)C3)cc1 ZINC001202669193 1137915332 /nfs/dbraw/zinc/91/53/32/1137915332.db2.gz WJJFWFGFJNSLBL-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000885942390 1138027338 /nfs/dbraw/zinc/02/73/38/1138027338.db2.gz NJIQONCZYSQWLO-SJORKVTESA-N 2 1 331.435 3.757 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886623289 1138103408 /nfs/dbraw/zinc/10/34/08/1138103408.db2.gz AEQRRNXPBMUYKK-MHTWAQMVSA-N 2 1 342.527 3.834 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000886719745 1138125251 /nfs/dbraw/zinc/12/52/51/1138125251.db2.gz GGUFQBWCVPWRCR-UHFFFAOYSA-N 2 1 329.513 3.789 20 0 EHADMP c1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000886818587 1138148735 /nfs/dbraw/zinc/14/87/35/1138148735.db2.gz HGPULTILXJWQDH-NHCUHLMSSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089512975 1138200744 /nfs/dbraw/zinc/20/07/44/1138200744.db2.gz SKLVZAFAPPZDHO-QGZVFWFLSA-N 2 1 347.547 3.541 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000090399923 1138210361 /nfs/dbraw/zinc/21/03/61/1138210361.db2.gz WLTGSNDAKLHUAD-QZTJIDSGSA-N 2 1 341.524 3.877 20 0 EHADMP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090459273 1138210752 /nfs/dbraw/zinc/21/07/52/1138210752.db2.gz GJQLWQZQBNJYFJ-CQSZACIVSA-N 2 1 345.512 3.812 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091321014 1138218574 /nfs/dbraw/zinc/21/85/74/1138218574.db2.gz KDWVXCIVXJJWRW-STQMWFEESA-N 2 1 345.878 3.719 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887149980 1138223191 /nfs/dbraw/zinc/22/31/91/1138223191.db2.gz RLYWUSLLHNQXQK-UHFFFAOYSA-N 2 1 325.456 3.789 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887149980 1138223194 /nfs/dbraw/zinc/22/31/94/1138223194.db2.gz RLYWUSLLHNQXQK-UHFFFAOYSA-N 2 1 325.456 3.789 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741901 1138240046 /nfs/dbraw/zinc/24/00/46/1138240046.db2.gz CKVNQQXNAUCWMH-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741901 1138240047 /nfs/dbraw/zinc/24/00/47/1138240047.db2.gz CKVNQQXNAUCWMH-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741901 1138240049 /nfs/dbraw/zinc/24/00/49/1138240049.db2.gz CKVNQQXNAUCWMH-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741901 1138240050 /nfs/dbraw/zinc/24/00/50/1138240050.db2.gz CKVNQQXNAUCWMH-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CO[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000348420502 1138305706 /nfs/dbraw/zinc/30/57/06/1138305706.db2.gz LTFUXERHAXFKAV-BLLLJJGKSA-N 2 1 341.377 3.799 20 0 EHADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000336686202 1138403111 /nfs/dbraw/zinc/40/31/11/1138403111.db2.gz GEXVTFMAJCDECI-RTBURBONSA-N 2 1 341.524 3.714 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CCN1C ZINC000130577652 1138463132 /nfs/dbraw/zinc/46/31/32/1138463132.db2.gz GYVUZOIJGYKWJG-PBHICJAKSA-N 2 1 329.419 3.585 20 0 EHADMP CC(C)COCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000337313521 1138529126 /nfs/dbraw/zinc/52/91/26/1138529126.db2.gz HBRQGKRBCYNDHP-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)C[C@H](C)O1 ZINC000337393715 1138555218 /nfs/dbraw/zinc/55/52/18/1138555218.db2.gz BHYDIPBGZZFCBX-QKLQHJQFSA-N 2 1 328.500 3.718 20 0 EHADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000337459406 1138575409 /nfs/dbraw/zinc/57/54/09/1138575409.db2.gz ZCLJUVBERGMNLC-UHFFFAOYSA-N 2 1 348.288 3.834 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000337802429 1138671856 /nfs/dbraw/zinc/67/18/56/1138671856.db2.gz JCGMURIDRWZFCG-QGZVFWFLSA-N 2 1 335.455 3.671 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000337802429 1138671859 /nfs/dbraw/zinc/67/18/59/1138671859.db2.gz JCGMURIDRWZFCG-QGZVFWFLSA-N 2 1 335.455 3.671 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000337802427 1138671872 /nfs/dbraw/zinc/67/18/72/1138671872.db2.gz JCGMURIDRWZFCG-KRWDZBQOSA-N 2 1 335.455 3.671 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000337802427 1138671876 /nfs/dbraw/zinc/67/18/76/1138671876.db2.gz JCGMURIDRWZFCG-KRWDZBQOSA-N 2 1 335.455 3.671 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H]3CCCF)CCCC2)CC1 ZINC000337984681 1138716516 /nfs/dbraw/zinc/71/65/16/1138716516.db2.gz CALHYJTXEZAMBC-MJGOQNOKSA-N 2 1 340.527 3.918 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000338007193 1138722098 /nfs/dbraw/zinc/72/20/98/1138722098.db2.gz KKNBTLHRCBBLPD-SOLBZPMBSA-N 2 1 327.447 3.782 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338007193 1138722101 /nfs/dbraw/zinc/72/21/01/1138722101.db2.gz KKNBTLHRCBBLPD-SOLBZPMBSA-N 2 1 327.447 3.782 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000182226601 1139959407 /nfs/dbraw/zinc/95/94/07/1139959407.db2.gz HUDSQKFMLDGCJW-IIBYNOLFSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182228349 1139959603 /nfs/dbraw/zinc/95/96/03/1139959603.db2.gz OLPDQBYWUNLKKQ-MAUKXSAKSA-N 2 1 330.497 3.556 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000182274069 1139962253 /nfs/dbraw/zinc/96/22/53/1139962253.db2.gz DXIIGFSIDFBPGJ-AVRDEDQJSA-N 2 1 338.495 3.721 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183553789 1140045915 /nfs/dbraw/zinc/04/59/15/1140045915.db2.gz WGXYAXXXKYHEJR-MGPUTAFESA-N 2 1 338.430 3.741 20 0 EHADMP CSC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000193811086 1140587579 /nfs/dbraw/zinc/58/75/79/1140587579.db2.gz HBLQXVSFGIIGDG-UHFFFAOYSA-N 2 1 336.520 3.708 20 0 EHADMP CC[NH+](CCCCC[N@H+](CC)Cc1ccccn1)Cc1ccccn1 ZINC000268146160 1140891487 /nfs/dbraw/zinc/89/14/87/1140891487.db2.gz LRVCLKFZRZXOPJ-UHFFFAOYSA-N 2 1 340.515 3.991 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000268765635 1140987223 /nfs/dbraw/zinc/98/72/23/1140987223.db2.gz BRBOCOIHSOINPW-VBKZILBWSA-N 2 1 339.414 3.704 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009008 /nfs/dbraw/zinc/00/90/08/1141009008.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009018 /nfs/dbraw/zinc/00/90/18/1141009018.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009026 /nfs/dbraw/zinc/00/90/26/1141009026.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009034 /nfs/dbraw/zinc/00/90/34/1141009034.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009041 /nfs/dbraw/zinc/00/90/41/1141009041.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009050 /nfs/dbraw/zinc/00/90/50/1141009050.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855633 1141009057 /nfs/dbraw/zinc/00/90/57/1141009057.db2.gz GSFLSRRFZZKZQL-FCEUIQTBSA-N 3 1 343.559 3.607 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000270867250 1141278374 /nfs/dbraw/zinc/27/83/74/1141278374.db2.gz LCTJAQHKTQHLRD-UHFFFAOYSA-N 2 1 349.478 3.666 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000270867250 1141278377 /nfs/dbraw/zinc/27/83/77/1141278377.db2.gz LCTJAQHKTQHLRD-UHFFFAOYSA-N 2 1 349.478 3.666 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000271440640 1141367921 /nfs/dbraw/zinc/36/79/21/1141367921.db2.gz CICZGEISFQLWED-MAUKXSAKSA-N 2 1 325.456 3.933 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCc2nccs2)cc1 ZINC000271572806 1141400678 /nfs/dbraw/zinc/40/06/78/1141400678.db2.gz ZJHYRQWVVGUKKY-CQSZACIVSA-N 2 1 326.469 3.921 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)ccn1 ZINC000348686252 1141566392 /nfs/dbraw/zinc/56/63/92/1141566392.db2.gz SCHFMPDCNGUMAF-GJYPPUQNSA-N 2 1 331.504 3.784 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000348959907 1141615395 /nfs/dbraw/zinc/61/53/95/1141615395.db2.gz BFEATTFSGWTEFO-DEOSSOPVSA-N 2 1 344.524 3.508 20 0 EHADMP CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000348959883 1141615591 /nfs/dbraw/zinc/61/55/91/1141615591.db2.gz BAXQMYJZMGQSAZ-UHFFFAOYSA-N 2 1 336.483 3.726 20 0 EHADMP CCOC(=O)c1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000349013386 1141622898 /nfs/dbraw/zinc/62/28/98/1141622898.db2.gz VALQDYBSMSYXFG-UHFFFAOYSA-N 2 1 344.455 3.540 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000038098184 213200403 /nfs/dbraw/zinc/20/04/03/213200403.db2.gz MLYNSQXPVAZBFA-LLVKDONJSA-N 2 1 329.257 3.723 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000020189929 212109397 /nfs/dbraw/zinc/10/93/97/212109397.db2.gz NXRRDICQJITDIL-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CC(C)n1ccc2c1nc[nH+]c2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047473 721974614 /nfs/dbraw/zinc/97/46/14/721974614.db2.gz HMTZOAWZSWVAQB-QGZVFWFLSA-N 2 1 341.503 3.857 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661984 1032075621 /nfs/dbraw/zinc/07/56/21/1032075621.db2.gz JPRKLECMGKYSPV-ZFWWWQNUSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661984 1032075634 /nfs/dbraw/zinc/07/56/34/1032075634.db2.gz JPRKLECMGKYSPV-ZFWWWQNUSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661984 1032075647 /nfs/dbraw/zinc/07/56/47/1032075647.db2.gz JPRKLECMGKYSPV-ZFWWWQNUSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000536661984 1032075668 /nfs/dbraw/zinc/07/56/68/1032075668.db2.gz JPRKLECMGKYSPV-ZFWWWQNUSA-N 2 1 330.394 3.890 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1)c1ccccc1 ZINC000153832130 1014137561 /nfs/dbraw/zinc/13/75/61/1014137561.db2.gz HJLNCUMHGNPVBY-HBFSDRIKSA-N 2 1 329.532 3.722 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1OC(F)(F)F ZINC000643546601 1014476687 /nfs/dbraw/zinc/47/66/87/1014476687.db2.gz RNSUVAABBFRLBV-CHWSQXEVSA-N 2 1 328.378 3.911 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)s1 ZINC000643546669 1014480844 /nfs/dbraw/zinc/48/08/44/1014480844.db2.gz SPAXYRKGAQKOMX-GHMZBOCLSA-N 2 1 329.307 3.836 20 0 EHADMP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459447946 1032135151 /nfs/dbraw/zinc/13/51/51/1032135151.db2.gz QYAICDOFEBAVDQ-NRFANRHFSA-N 2 1 328.500 3.687 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000533532472 1016009897 /nfs/dbraw/zinc/00/98/97/1016009897.db2.gz LQNJDROWQHIADI-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)CC[N@H+]1C ZINC000155031651 1016062864 /nfs/dbraw/zinc/06/28/64/1016062864.db2.gz RBLJGMZQWJOGJZ-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)CCCc2nc(-c3cccs3)no2)CC1 ZINC000109786716 1016375580 /nfs/dbraw/zinc/37/55/80/1016375580.db2.gz NUMICWAQYHSAFF-UHFFFAOYSA-N 2 1 348.516 3.537 20 0 EHADMP C[C@H]([NH2+]CCCOC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827811 1016963143 /nfs/dbraw/zinc/96/31/43/1016963143.db2.gz BHZQNADNLSVQML-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)CC1 ZINC000376672319 1016969771 /nfs/dbraw/zinc/96/97/71/1016969771.db2.gz NMRQYBQVHKULFU-UHFFFAOYSA-N 2 1 327.447 3.682 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2Sc2ccccc2)C1 ZINC000459457385 1032157384 /nfs/dbraw/zinc/15/73/84/1032157384.db2.gz CERNPRVWYPOESO-MTFMMBMASA-N 2 1 348.556 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379621874 1032182088 /nfs/dbraw/zinc/18/20/88/1032182088.db2.gz FZWJPVGNPHAEEJ-NZSAHSFTSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379621874 1032182093 /nfs/dbraw/zinc/18/20/93/1032182093.db2.gz FZWJPVGNPHAEEJ-NZSAHSFTSA-N 2 1 330.516 3.975 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cc4cccnc4o3)C2)c1 ZINC000449105527 1032184253 /nfs/dbraw/zinc/18/42/53/1032184253.db2.gz IQECFYAELZUSKJ-HNNXBMFYSA-N 2 1 341.480 3.891 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cc4cccnc4o3)C2)c1 ZINC000449105527 1032184260 /nfs/dbraw/zinc/18/42/60/1032184260.db2.gz IQECFYAELZUSKJ-HNNXBMFYSA-N 2 1 341.480 3.891 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449107004 1032186392 /nfs/dbraw/zinc/18/63/92/1032186392.db2.gz KRBOMXMGJZJJDY-NSHDSACASA-N 2 1 328.243 3.555 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000449088577 1032195230 /nfs/dbraw/zinc/19/52/30/1032195230.db2.gz ICDNFAKRTIHMHZ-KBPBESRZSA-N 2 1 331.460 3.666 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000449088577 1032195234 /nfs/dbraw/zinc/19/52/34/1032195234.db2.gz ICDNFAKRTIHMHZ-KBPBESRZSA-N 2 1 331.460 3.666 20 0 EHADMP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000184010151 1032222267 /nfs/dbraw/zinc/22/22/67/1032222267.db2.gz VHHWWJQWDFVDJR-IBGZPJMESA-N 2 1 326.488 3.573 20 0 EHADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000184010151 1032222284 /nfs/dbraw/zinc/22/22/84/1032222284.db2.gz VHHWWJQWDFVDJR-IBGZPJMESA-N 2 1 326.488 3.573 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(CSC)CC2)[C@H](C)C1 ZINC000449144118 1032245550 /nfs/dbraw/zinc/24/55/50/1032245550.db2.gz YHYRLHBBUPDGMN-LWSMDNFKSA-N 2 1 342.593 3.635 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(CSC)CC2)[C@@H](C)C1 ZINC000449144120 1032247170 /nfs/dbraw/zinc/24/71/70/1032247170.db2.gz YHYRLHBBUPDGMN-RGVPCPSESA-N 2 1 342.593 3.635 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccoc3)CC2)cs1 ZINC000449147150 1032250277 /nfs/dbraw/zinc/25/02/77/1032250277.db2.gz FPBYBMMWZNJPFJ-HNNXBMFYSA-N 2 1 347.528 3.731 20 0 EHADMP Cc1cccc(C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000536860063 1032359455 /nfs/dbraw/zinc/35/94/55/1032359455.db2.gz YOTZSRRMPRUFEA-JQVVWYNYSA-N 2 1 344.543 3.795 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449239926 1032377537 /nfs/dbraw/zinc/37/75/37/1032377537.db2.gz LWVOVPSNIADTFM-CSEOROSGSA-N 2 1 342.527 3.834 20 0 EHADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905248876 1032391820 /nfs/dbraw/zinc/39/18/20/1032391820.db2.gz QLJPWFSGBKWGMM-KVULBXGLSA-N 2 1 343.298 3.633 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000459734101 1032438959 /nfs/dbraw/zinc/43/89/59/1032438959.db2.gz OCZPDVGSDXXSTR-KRWDZBQOSA-N 2 1 349.950 3.626 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000084658989 1032446814 /nfs/dbraw/zinc/44/68/14/1032446814.db2.gz YRSADQGSUTVNEL-GFCCVEGCSA-N 2 1 332.498 3.802 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000459738359 1032453341 /nfs/dbraw/zinc/45/33/41/1032453341.db2.gz RQQBVBPEGMIYJT-MRXNPFEDSA-N 2 1 345.512 3.544 20 0 EHADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2Cl)n1 ZINC000459740579 1032455407 /nfs/dbraw/zinc/45/54/07/1032455407.db2.gz UQKOBEQINVFHBZ-HNNXBMFYSA-N 2 1 346.906 3.562 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000449401559 1032524455 /nfs/dbraw/zinc/52/44/55/1032524455.db2.gz HPURTQMSKUQXLB-BHDDXSALSA-N 2 1 335.495 3.780 20 0 EHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000606432113 1032677593 /nfs/dbraw/zinc/67/75/93/1032677593.db2.gz RQSUZTWIPJXYHA-BBTUJRGHSA-N 2 1 347.522 3.767 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000110821081 1017110093 /nfs/dbraw/zinc/11/00/93/1017110093.db2.gz HOITUFYCMAOZBJ-RCCFBDPRSA-N 2 1 349.316 3.523 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000110821081 1017110108 /nfs/dbraw/zinc/11/01/08/1017110108.db2.gz HOITUFYCMAOZBJ-RCCFBDPRSA-N 2 1 349.316 3.523 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655722007 1017462887 /nfs/dbraw/zinc/46/28/87/1017462887.db2.gz UMYXFHJWBUDDOR-INMHGKMJSA-N 2 1 348.453 3.588 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC ZINC000415054644 1017478711 /nfs/dbraw/zinc/47/87/11/1017478711.db2.gz QFLPMTBPCYGLRP-OALUTQOASA-N 2 1 346.515 3.838 20 0 EHADMP CC1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549167309 1017482395 /nfs/dbraw/zinc/48/23/95/1017482395.db2.gz TYXYTMCKKZYSSW-NRFANRHFSA-N 2 1 343.559 3.609 20 0 EHADMP CC[C@@H](CSc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738174 1017500034 /nfs/dbraw/zinc/50/00/34/1017500034.db2.gz SOLBYRWPKSMKSS-PKOBYXMFSA-N 2 1 348.556 3.790 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078207 1017510049 /nfs/dbraw/zinc/51/00/49/1017510049.db2.gz FZLREPOPZISFSP-XUVXKRRUSA-N 2 1 328.431 3.596 20 0 EHADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655760564 1017545726 /nfs/dbraw/zinc/54/57/26/1017545726.db2.gz UBMPFAJAAVYADK-NRFANRHFSA-N 2 1 346.515 3.517 20 0 EHADMP CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655755168 1017546849 /nfs/dbraw/zinc/54/68/49/1017546849.db2.gz RLFXHTDASNNVLN-URVUXULASA-N 2 1 342.527 3.789 20 0 EHADMP COc1cccc(OCCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415126193 1017579287 /nfs/dbraw/zinc/57/92/87/1017579287.db2.gz UEFNWANJGAHHRB-NQIIRXRSSA-N 2 1 340.467 3.547 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+]CCn3cc[nH+]c3C)cc2cc1OC ZINC000657865559 1032723244 /nfs/dbraw/zinc/72/32/44/1032723244.db2.gz ZOXPBBYMSSEMDH-AWEZNQCLSA-N 2 1 339.439 3.713 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000537446593 1032734449 /nfs/dbraw/zinc/73/44/49/1032734449.db2.gz UDBRDRSCVDUDGY-RXVVDRJESA-N 2 1 347.547 3.606 20 0 EHADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340500293 1018154591 /nfs/dbraw/zinc/15/45/91/1018154591.db2.gz RDKRYZDLWINFQS-RXVVDRJESA-N 2 1 336.479 3.881 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000275708305 1018206886 /nfs/dbraw/zinc/20/68/86/1018206886.db2.gz RHLQIRGLPVFXLI-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000275708305 1018206898 /nfs/dbraw/zinc/20/68/98/1018206898.db2.gz RHLQIRGLPVFXLI-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708305 1018206907 /nfs/dbraw/zinc/20/69/07/1018206907.db2.gz RHLQIRGLPVFXLI-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708305 1018206918 /nfs/dbraw/zinc/20/69/18/1018206918.db2.gz RHLQIRGLPVFXLI-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000706465590 1018689927 /nfs/dbraw/zinc/68/99/27/1018689927.db2.gz KYLIVZBULZWGHF-LBPRGKRZSA-N 2 1 345.712 3.924 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000706465590 1018689931 /nfs/dbraw/zinc/68/99/31/1018689931.db2.gz KYLIVZBULZWGHF-LBPRGKRZSA-N 2 1 345.712 3.924 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000158507726 1018976717 /nfs/dbraw/zinc/97/67/17/1018976717.db2.gz RVWGQKSZMGVBRX-CJNGLKHVSA-N 2 1 339.321 3.657 20 0 EHADMP CCSCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152819100 1019114973 /nfs/dbraw/zinc/11/49/73/1019114973.db2.gz BDGXLDABTQGMHT-MRXNPFEDSA-N 2 1 338.536 3.954 20 0 EHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1Br ZINC000513155730 1019178693 /nfs/dbraw/zinc/17/86/93/1019178693.db2.gz XWHHHPNUYJRPRV-XYPWUTKMSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000513155730 1019178698 /nfs/dbraw/zinc/17/86/98/1019178698.db2.gz XWHHHPNUYJRPRV-XYPWUTKMSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC000513155730 1019178706 /nfs/dbraw/zinc/17/87/06/1019178706.db2.gz XWHHHPNUYJRPRV-XYPWUTKMSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204734692 1019314737 /nfs/dbraw/zinc/31/47/37/1019314737.db2.gz BNGMTTLBGGRMCU-UHFFFAOYSA-N 2 1 337.305 3.723 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430431 1019351399 /nfs/dbraw/zinc/35/13/99/1019351399.db2.gz DZYGDWKVYVKYNW-WMQCIHAUSA-N 2 1 342.527 3.977 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430431 1019351413 /nfs/dbraw/zinc/35/14/13/1019351413.db2.gz DZYGDWKVYVKYNW-WMQCIHAUSA-N 2 1 342.527 3.977 20 0 EHADMP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752959 1019566784 /nfs/dbraw/zinc/56/67/84/1019566784.db2.gz DRVGDSDYPOSCRR-QFBILLFUSA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752959 1019566797 /nfs/dbraw/zinc/56/67/97/1019566797.db2.gz DRVGDSDYPOSCRR-QFBILLFUSA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752959 1019566809 /nfs/dbraw/zinc/56/68/09/1019566809.db2.gz DRVGDSDYPOSCRR-QFBILLFUSA-N 2 1 345.531 3.770 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3F)nc2C)C[C@H]1C ZINC000656252998 1019651938 /nfs/dbraw/zinc/65/19/38/1019651938.db2.gz HNNAGVIZFMYDQZ-QAPCUYQASA-N 2 1 344.478 3.624 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000345521319 1020342396 /nfs/dbraw/zinc/34/23/96/1020342396.db2.gz HADNSBOJEHLSKD-KRWDZBQOSA-N 2 1 329.494 3.962 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000345521319 1020342408 /nfs/dbraw/zinc/34/24/08/1020342408.db2.gz HADNSBOJEHLSKD-KRWDZBQOSA-N 2 1 329.494 3.962 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000581017929 1020361464 /nfs/dbraw/zinc/36/14/64/1020361464.db2.gz OXAOZYAQUZDXKJ-PCCBWWKXSA-N 2 1 342.527 3.836 20 0 EHADMP CC1(C[N@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475875 1020473401 /nfs/dbraw/zinc/47/34/01/1020473401.db2.gz BSUCMQXLTKONQO-OAQYLSRUSA-N 2 1 334.548 3.924 20 0 EHADMP CC1(C[NH+]2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475875 1020473407 /nfs/dbraw/zinc/47/34/07/1020473407.db2.gz BSUCMQXLTKONQO-OAQYLSRUSA-N 2 1 334.548 3.924 20 0 EHADMP CC1(C[NH+]2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475875 1020473414 /nfs/dbraw/zinc/47/34/14/1020473414.db2.gz BSUCMQXLTKONQO-OAQYLSRUSA-N 2 1 334.548 3.924 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507462235 1021277789 /nfs/dbraw/zinc/27/77/89/1021277789.db2.gz OKPHINPYWHIZIG-FMWKFLBASA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2C1 ZINC000427266380 1021280291 /nfs/dbraw/zinc/28/02/91/1021280291.db2.gz SFMFNDVYEHXEAK-KRWDZBQOSA-N 2 1 343.515 3.767 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2ncccc12 ZINC000656786649 1021342083 /nfs/dbraw/zinc/34/20/83/1021342083.db2.gz VPPDRZORMNZGSM-INIZCTEOSA-N 2 1 327.447 3.586 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cc1O ZINC000426354549 1021362371 /nfs/dbraw/zinc/36/23/71/1021362371.db2.gz TWYQSWORCYXXNY-SJORKVTESA-N 2 1 334.504 3.576 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000120934763 1021770235 /nfs/dbraw/zinc/77/02/35/1021770235.db2.gz HJPWFZHFWWLODC-ACRUOGEOSA-N 2 1 340.511 3.588 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000517011962 1021937387 /nfs/dbraw/zinc/93/73/87/1021937387.db2.gz NTMYQAAOOQZLMB-YTFSRNRJSA-N 2 1 349.522 3.965 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000341456488 1021954643 /nfs/dbraw/zinc/95/46/43/1021954643.db2.gz BNPHJWIGWNORCV-HNNXBMFYSA-N 2 1 331.460 3.730 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000449679332 1033028214 /nfs/dbraw/zinc/02/82/14/1033028214.db2.gz DKDMETJOSSTLKI-MBDNFAEBSA-N 2 1 342.527 3.693 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449676445 1033024193 /nfs/dbraw/zinc/02/41/93/1033024193.db2.gz HDCQRIZEFSDWCC-ZWKOTPCHSA-N 2 1 340.515 3.649 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440345749 1022105570 /nfs/dbraw/zinc/10/55/70/1022105570.db2.gz WBCJAAFILJIIAB-MRXNPFEDSA-N 2 1 344.528 3.949 20 0 EHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000517240465 1022162388 /nfs/dbraw/zinc/16/23/88/1022162388.db2.gz FTLROINNANLJPW-CQSZACIVSA-N 2 1 329.513 3.853 20 0 EHADMP [NH3+][C@@H]1Cc2c3ccccc3n(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2C1 ZINC001167967098 1022175955 /nfs/dbraw/zinc/17/59/55/1022175955.db2.gz BHOWKXSAWVHCIT-HRBLRVMOSA-N 2 1 335.495 3.645 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425925382 1022223987 /nfs/dbraw/zinc/22/39/87/1022223987.db2.gz WLHXAVOCOZWQRC-GOSISDBHSA-N 2 1 343.515 3.810 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126942198 1022257690 /nfs/dbraw/zinc/25/76/90/1022257690.db2.gz CULKIVRXVLFQFJ-NWDGAFQWSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126942198 1022257694 /nfs/dbraw/zinc/25/76/94/1022257694.db2.gz CULKIVRXVLFQFJ-NWDGAFQWSA-N 2 1 341.268 3.723 20 0 EHADMP CCC1(O)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647198416 1022298005 /nfs/dbraw/zinc/29/80/05/1022298005.db2.gz DBNOVHKJRXXCNT-FUHYEJFZSA-N 2 1 342.527 3.857 20 0 EHADMP CCC1(O)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647198416 1022298009 /nfs/dbraw/zinc/29/80/09/1022298009.db2.gz DBNOVHKJRXXCNT-FUHYEJFZSA-N 2 1 342.527 3.857 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000262080896 1022308366 /nfs/dbraw/zinc/30/83/66/1022308366.db2.gz TUCMNWXVEMUYGZ-UHFFFAOYSA-N 2 1 327.497 3.694 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167970803 1022384303 /nfs/dbraw/zinc/38/43/03/1022384303.db2.gz NNLONBFOMBAGJU-RHXYGLJOSA-N 2 1 326.484 3.678 20 0 EHADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973178 1022519418 /nfs/dbraw/zinc/51/94/18/1022519418.db2.gz GRRZEIOHJGJRIN-FGZHOGPDSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973178 1022519427 /nfs/dbraw/zinc/51/94/27/1022519427.db2.gz GRRZEIOHJGJRIN-FGZHOGPDSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425973178 1022519437 /nfs/dbraw/zinc/51/94/37/1022519437.db2.gz GRRZEIOHJGJRIN-FGZHOGPDSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425973178 1022519444 /nfs/dbraw/zinc/51/94/44/1022519444.db2.gz GRRZEIOHJGJRIN-FGZHOGPDSA-N 2 1 338.495 3.707 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000425944044 1022600533 /nfs/dbraw/zinc/60/05/33/1022600533.db2.gz LDPCCOHDFNVPPF-RDJZCZTQSA-N 2 1 328.504 3.646 20 0 EHADMP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000414929713 1022656123 /nfs/dbraw/zinc/65/61/23/1022656123.db2.gz OJOZTWCYEYPRBW-JOCHJYFZSA-N 2 1 335.495 3.900 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981543 1022799458 /nfs/dbraw/zinc/79/94/58/1022799458.db2.gz ADIAPFBYIYOISJ-MIJOPJBOSA-N 2 1 328.500 3.621 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188558953 1022827618 /nfs/dbraw/zinc/82/76/18/1022827618.db2.gz USSYTQWLIGIWMN-QWQRMKEZSA-N 2 1 333.907 3.693 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC[N@H+]2C2CC2)cc1 ZINC000638741310 1022979084 /nfs/dbraw/zinc/97/90/84/1022979084.db2.gz DIFKOHKDUQRMCR-YYDGMXKLSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC[N@@H+]2C2CC2)cc1 ZINC000638741310 1022979098 /nfs/dbraw/zinc/97/90/98/1022979098.db2.gz DIFKOHKDUQRMCR-YYDGMXKLSA-N 2 1 340.511 3.902 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)cc1O ZINC000426153472 1022992220 /nfs/dbraw/zinc/99/22/20/1022992220.db2.gz NGGODIDDYWELTQ-GVDBMIGSSA-N 2 1 334.504 3.574 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908304 1023042246 /nfs/dbraw/zinc/04/22/46/1023042246.db2.gz QCRQUKFCQXBICR-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908304 1023042260 /nfs/dbraw/zinc/04/22/60/1023042260.db2.gz QCRQUKFCQXBICR-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908304 1023042273 /nfs/dbraw/zinc/04/22/73/1023042273.db2.gz QCRQUKFCQXBICR-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908304 1023042282 /nfs/dbraw/zinc/04/22/82/1023042282.db2.gz QCRQUKFCQXBICR-KRWDZBQOSA-N 2 1 347.503 3.807 20 0 EHADMP CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647216170 1023046394 /nfs/dbraw/zinc/04/63/94/1023046394.db2.gz YDLKMRRAKRRIOU-SFHVURJKSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647216170 1023046406 /nfs/dbraw/zinc/04/64/06/1023046406.db2.gz YDLKMRRAKRRIOU-SFHVURJKSA-N 2 1 330.516 3.570 20 0 EHADMP C[N@@H+](CCCOc1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000607358153 1033103357 /nfs/dbraw/zinc/10/33/57/1033103357.db2.gz HZLKMHXCSFAIKY-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1cccc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358153 1033103370 /nfs/dbraw/zinc/10/33/70/1033103370.db2.gz HZLKMHXCSFAIKY-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1cccc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358153 1033103378 /nfs/dbraw/zinc/10/33/78/1033103378.db2.gz HZLKMHXCSFAIKY-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP Cc1cccc([C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000441475519 1023088854 /nfs/dbraw/zinc/08/88/54/1023088854.db2.gz QCQZTJWVXIYFMD-CEXWTWQISA-N 2 1 330.516 3.877 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427099257 1023214507 /nfs/dbraw/zinc/21/45/07/1023214507.db2.gz GWSCYEGTTFOUCF-WBVHZDCISA-N 2 1 326.406 3.712 20 0 EHADMP CC[C@H](C)C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091709450 1023299770 /nfs/dbraw/zinc/29/97/70/1023299770.db2.gz VXXDCXUCVCLTCF-HNNXBMFYSA-N 2 1 333.520 3.649 20 0 EHADMP CC[C@H](C)C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091709450 1023299776 /nfs/dbraw/zinc/29/97/76/1023299776.db2.gz VXXDCXUCVCLTCF-HNNXBMFYSA-N 2 1 333.520 3.649 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440126 1123827322 /nfs/dbraw/zinc/82/73/22/1123827322.db2.gz UFMVMDVFBBBLAV-WCQYABFASA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440126 1123827324 /nfs/dbraw/zinc/82/73/24/1123827324.db2.gz UFMVMDVFBBBLAV-WCQYABFASA-N 2 1 331.323 3.673 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440126 1123827327 /nfs/dbraw/zinc/82/73/27/1123827327.db2.gz UFMVMDVFBBBLAV-WCQYABFASA-N 2 1 331.323 3.673 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440126 1123827330 /nfs/dbraw/zinc/82/73/30/1123827330.db2.gz UFMVMDVFBBBLAV-WCQYABFASA-N 2 1 331.323 3.673 20 0 EHADMP COc1cccc(-c2csc(C[N@@H+](C)CC3CC[NH+](C)CC3)n2)c1 ZINC000891933694 1023443771 /nfs/dbraw/zinc/44/37/71/1023443771.db2.gz LDBHXQULZNQQPF-UHFFFAOYSA-N 2 1 345.512 3.592 20 0 EHADMP FCC1(CF)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000657877283 1033162023 /nfs/dbraw/zinc/16/20/23/1033162023.db2.gz AZSAEGSIJRVBFU-JLYLLQBASA-N 2 1 334.454 3.859 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCOCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020900 1024058414 /nfs/dbraw/zinc/05/84/14/1024058414.db2.gz OLQYLCBIFLYVSR-HNJRGHQBSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000514086970 1024120244 /nfs/dbraw/zinc/12/02/44/1024120244.db2.gz DXBYNNAGJWLTKX-HRCADAONSA-N 2 1 328.378 3.548 20 0 EHADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCCC4(CCC4)C3)C2)cc1 ZINC000342135406 1024207941 /nfs/dbraw/zinc/20/79/41/1024207941.db2.gz QFVVLHWOGFRXAX-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cnccc3o2)[C@@H](C)C1 ZINC000657884104 1033200902 /nfs/dbraw/zinc/20/09/02/1033200902.db2.gz KAFBIRYFVXBHAD-JZXOWHBKSA-N 2 1 345.487 3.615 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cnccc3o2)[C@@H](C)C1 ZINC000657884104 1033200911 /nfs/dbraw/zinc/20/09/11/1033200911.db2.gz KAFBIRYFVXBHAD-JZXOWHBKSA-N 2 1 345.487 3.615 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000346139470 1024440189 /nfs/dbraw/zinc/44/01/89/1024440189.db2.gz VOHDLFCFWXVFHP-OAQYLSRUSA-N 2 1 348.450 3.619 20 0 EHADMP Cc1ccc(CCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000474161562 1024474301 /nfs/dbraw/zinc/47/43/01/1024474301.db2.gz VPHGQSXFSXEGAH-FPOVZHCZSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000474161562 1024474305 /nfs/dbraw/zinc/47/43/05/1024474305.db2.gz VPHGQSXFSXEGAH-FPOVZHCZSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000474161562 1024474310 /nfs/dbraw/zinc/47/43/10/1024474310.db2.gz VPHGQSXFSXEGAH-FPOVZHCZSA-N 2 1 329.532 3.909 20 0 EHADMP OC[C@@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000511016354 1024497692 /nfs/dbraw/zinc/49/76/92/1024497692.db2.gz WURRNJBPILJKKD-NGQZJGFESA-N 2 1 342.527 3.713 20 0 EHADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414862203 1024531170 /nfs/dbraw/zinc/53/11/70/1024531170.db2.gz VEZOTIWAOIUFMM-ICSRJNTNSA-N 2 1 329.532 3.681 20 0 EHADMP C[C@H]1C[C@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414862201 1024531908 /nfs/dbraw/zinc/53/19/08/1024531908.db2.gz VEZOTIWAOIUFMM-AZUAARDMSA-N 2 1 329.532 3.681 20 0 EHADMP C[C@H]1CCCCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000548584329 1024549003 /nfs/dbraw/zinc/54/90/03/1024549003.db2.gz GUVVDYSVSRKVRC-SFHVURJKSA-N 2 1 329.532 3.982 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000391808646 1024550647 /nfs/dbraw/zinc/55/06/47/1024550647.db2.gz XULSKYSGZGRLFL-YUELXQCFSA-N 2 1 328.378 3.578 20 0 EHADMP Brc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205000810 1024564522 /nfs/dbraw/zinc/56/45/22/1024564522.db2.gz KUXMNLRSIKWPDL-WMLDXEAASA-N 2 1 337.305 3.976 20 0 EHADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000262130359 1024565407 /nfs/dbraw/zinc/56/54/07/1024565407.db2.gz YBQQNSSQSJZZEC-LJQANCHMSA-N 2 1 348.450 3.575 20 0 EHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435058314 1024587713 /nfs/dbraw/zinc/58/77/13/1024587713.db2.gz MGCIYNFIUFAKEW-QGZVFWFLSA-N 2 1 345.531 3.852 20 0 EHADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000346299561 1024615263 /nfs/dbraw/zinc/61/52/63/1024615263.db2.gz BODNZBXSDTUEHE-MRXNPFEDSA-N 2 1 347.890 3.808 20 0 EHADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000346299561 1024615276 /nfs/dbraw/zinc/61/52/76/1024615276.db2.gz BODNZBXSDTUEHE-MRXNPFEDSA-N 2 1 347.890 3.808 20 0 EHADMP C[C@H]1CC([NH2+]CCCC[NH+]2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168009082 1024637681 /nfs/dbraw/zinc/63/76/81/1024637681.db2.gz GTHZOZWVGHGYKN-PMACEKPBSA-N 2 1 343.559 3.894 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000346312327 1024637819 /nfs/dbraw/zinc/63/78/19/1024637819.db2.gz PIDMEZQZLMDJLE-UHFFFAOYSA-N 2 1 336.277 3.865 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000346312327 1024637826 /nfs/dbraw/zinc/63/78/26/1024637826.db2.gz PIDMEZQZLMDJLE-UHFFFAOYSA-N 2 1 336.277 3.865 20 0 EHADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000474267999 1024669766 /nfs/dbraw/zinc/66/97/66/1024669766.db2.gz RCXKXOKDNQWRBK-NRFANRHFSA-N 2 1 329.532 3.911 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCC(F)(F)F)CCCC2)CC1 ZINC000346441116 1024734410 /nfs/dbraw/zinc/73/44/10/1024734410.db2.gz RXEYJSZEVKTPDK-CQSZACIVSA-N 2 1 336.442 3.731 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000346474360 1024761572 /nfs/dbraw/zinc/76/15/72/1024761572.db2.gz CVBCCHCHFSBOLH-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000346474360 1024761580 /nfs/dbraw/zinc/76/15/80/1024761580.db2.gz CVBCCHCHFSBOLH-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000346474360 1024761587 /nfs/dbraw/zinc/76/15/87/1024761587.db2.gz CVBCCHCHFSBOLH-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@@H+]1C ZINC000157181567 1024786227 /nfs/dbraw/zinc/78/62/27/1024786227.db2.gz SIMUFWMKXMGITR-PKOBYXMFSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@H+]1C ZINC000157181567 1024786254 /nfs/dbraw/zinc/78/62/54/1024786254.db2.gz SIMUFWMKXMGITR-PKOBYXMFSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181567 1024786273 /nfs/dbraw/zinc/78/62/73/1024786273.db2.gz SIMUFWMKXMGITR-PKOBYXMFSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181567 1024786318 /nfs/dbraw/zinc/78/63/18/1024786318.db2.gz SIMUFWMKXMGITR-PKOBYXMFSA-N 2 1 348.494 3.916 20 0 EHADMP CC(C)[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000474391903 1024880175 /nfs/dbraw/zinc/88/01/75/1024880175.db2.gz UTURNNNESSXEBN-PLACYPQZSA-N 2 1 330.516 3.610 20 0 EHADMP Cc1cc(C)cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435436751 1024925113 /nfs/dbraw/zinc/92/51/13/1024925113.db2.gz GVKTYMKBPVLIIV-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1cc(C)cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435436751 1024925125 /nfs/dbraw/zinc/92/51/25/1024925125.db2.gz GVKTYMKBPVLIIV-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1F ZINC000105443139 1024941945 /nfs/dbraw/zinc/94/19/45/1024941945.db2.gz IQBZTURKMAYXAI-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP Cc1cc[nH+]c(N)c1CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000895139358 1024947046 /nfs/dbraw/zinc/94/70/46/1024947046.db2.gz CRHNUGDNDJDAGK-UHFFFAOYSA-N 2 1 342.512 3.772 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157661153 1025005138 /nfs/dbraw/zinc/00/51/38/1025005138.db2.gz CVJPOTZMWLDBRK-DJKXOVBDSA-N 2 1 325.456 3.789 20 0 EHADMP c1ccc(SCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435623040 1025037844 /nfs/dbraw/zinc/03/78/44/1025037844.db2.gz BLJBIMHFXONDJW-LJQANCHMSA-N 2 1 341.524 3.818 20 0 EHADMP c1ccc(SCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435623040 1025037858 /nfs/dbraw/zinc/03/78/58/1025037858.db2.gz BLJBIMHFXONDJW-LJQANCHMSA-N 2 1 341.524 3.818 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4cccnc4)[C@H]3C2)cc1 ZINC000428227635 1025048673 /nfs/dbraw/zinc/04/86/73/1025048673.db2.gz SOFGSVYFPBDTMQ-VABKMULXSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000657319224 1025120704 /nfs/dbraw/zinc/12/07/04/1025120704.db2.gz VRCUPNUFPQBIBU-UHFFFAOYSA-N 2 1 326.469 3.803 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435785108 1025149138 /nfs/dbraw/zinc/14/91/38/1025149138.db2.gz ABROKCKEJRRBJO-IBGZPJMESA-N 2 1 338.499 3.671 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435785108 1025149145 /nfs/dbraw/zinc/14/91/45/1025149145.db2.gz ABROKCKEJRRBJO-IBGZPJMESA-N 2 1 338.499 3.671 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C[C@@H]12 ZINC000346823145 1025150919 /nfs/dbraw/zinc/15/09/19/1025150919.db2.gz CFQMBKKMXMZMII-FRFSOERESA-N 2 1 332.394 3.610 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000515308324 1025151792 /nfs/dbraw/zinc/15/17/92/1025151792.db2.gz KCTGWTFFFJQGLV-INIZCTEOSA-N 2 1 326.469 3.800 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000515308324 1025151799 /nfs/dbraw/zinc/15/17/99/1025151799.db2.gz KCTGWTFFFJQGLV-INIZCTEOSA-N 2 1 326.469 3.800 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000157911285 1025191838 /nfs/dbraw/zinc/19/18/38/1025191838.db2.gz IGOJEYPXQZQSDN-SJORKVTESA-N 2 1 331.504 3.808 20 0 EHADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000435870203 1025192912 /nfs/dbraw/zinc/19/29/12/1025192912.db2.gz DXPPNXBGTMUPNC-MRXNPFEDSA-N 2 1 325.456 3.541 20 0 EHADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000435870203 1025192919 /nfs/dbraw/zinc/19/29/19/1025192919.db2.gz DXPPNXBGTMUPNC-MRXNPFEDSA-N 2 1 325.456 3.541 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001168284887 1033268311 /nfs/dbraw/zinc/26/83/11/1033268311.db2.gz WZSWNIKSHXEPGB-XUVXKRRUSA-N 2 1 328.500 3.501 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C2 ZINC001168284887 1033268319 /nfs/dbraw/zinc/26/83/19/1033268319.db2.gz WZSWNIKSHXEPGB-XUVXKRRUSA-N 2 1 328.500 3.501 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C2 ZINC001168284887 1033268324 /nfs/dbraw/zinc/26/83/24/1033268324.db2.gz WZSWNIKSHXEPGB-XUVXKRRUSA-N 2 1 328.500 3.501 20 0 EHADMP C[C@H]1CC(N2CCCC(=O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040004 1025254879 /nfs/dbraw/zinc/25/48/79/1025254879.db2.gz JOPIRDNONHUUFB-SQNIBIBYSA-N 2 1 328.500 3.729 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3scnc3C)cc2)C1 ZINC000657337149 1025272444 /nfs/dbraw/zinc/27/24/44/1025272444.db2.gz KNFFLLFCGDRJRK-QGZVFWFLSA-N 2 1 329.513 3.940 20 0 EHADMP CC(C)=CCC[C@H](C)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000192623562 1025284937 /nfs/dbraw/zinc/28/49/37/1025284937.db2.gz VRSKUDALRMFIBQ-LEWJYISDSA-N 2 1 335.580 3.861 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665282989 1025302309 /nfs/dbraw/zinc/30/23/09/1025302309.db2.gz FSLKIHKNSRGOSQ-HRCADAONSA-N 2 1 342.405 3.828 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000453326066 1025350337 /nfs/dbraw/zinc/35/03/37/1025350337.db2.gz XSFMNFSJSVMKOS-HZEGPAAWSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000453326066 1025350344 /nfs/dbraw/zinc/35/03/44/1025350344.db2.gz XSFMNFSJSVMKOS-HZEGPAAWSA-N 2 1 330.516 3.863 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ncccc1Cl ZINC000530219893 1025491532 /nfs/dbraw/zinc/49/15/32/1025491532.db2.gz RZBBLHZCUMGHKO-XLIONFOSSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ncccc1Cl ZINC000530219893 1025491542 /nfs/dbraw/zinc/49/15/42/1025491542.db2.gz RZBBLHZCUMGHKO-XLIONFOSSA-N 2 1 343.902 3.907 20 0 EHADMP Cc1cccc(N2CCC([NH2+]Cc3cc4c(cccc4F)[nH]3)CC2)[nH+]1 ZINC000436246926 1025497142 /nfs/dbraw/zinc/49/71/42/1025497142.db2.gz MULBANMLSVSXKA-UHFFFAOYSA-N 2 1 338.430 3.769 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442829641 1025523594 /nfs/dbraw/zinc/52/35/94/1025523594.db2.gz VVROABYHWCONHG-DLBZAZTESA-N 2 1 325.500 3.593 20 0 EHADMP CCc1cccc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)oc21 ZINC000657363777 1025529862 /nfs/dbraw/zinc/52/98/62/1025529862.db2.gz BXQLQVAFBARWMQ-INIZCTEOSA-N 2 1 342.483 3.586 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(C)(C)C)cc1 ZINC000442873365 1025548018 /nfs/dbraw/zinc/54/80/18/1025548018.db2.gz KWZGQIOBWMGEPO-KRWDZBQOSA-N 2 1 331.548 3.661 20 0 EHADMP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000281955088 1025777617 /nfs/dbraw/zinc/77/76/17/1025777617.db2.gz ARUBBJMMOQRLSO-WIYYLYMNSA-N 2 1 330.516 3.754 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)ccc1OC(F)F ZINC000530407338 1025778417 /nfs/dbraw/zinc/77/84/17/1025778417.db2.gz QKAHPVVDTQHXRH-JTQLQIEISA-N 2 1 329.778 3.568 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562014 1026136802 /nfs/dbraw/zinc/13/68/02/1026136802.db2.gz CFDWWBFGFXQJOB-NVXWUHKLSA-N 2 1 337.305 3.723 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562014 1026136804 /nfs/dbraw/zinc/13/68/04/1026136804.db2.gz CFDWWBFGFXQJOB-NVXWUHKLSA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562014 1026136810 /nfs/dbraw/zinc/13/68/10/1026136810.db2.gz CFDWWBFGFXQJOB-NVXWUHKLSA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562014 1026136814 /nfs/dbraw/zinc/13/68/14/1026136814.db2.gz CFDWWBFGFXQJOB-NVXWUHKLSA-N 2 1 337.305 3.723 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000148124164 1026222356 /nfs/dbraw/zinc/22/23/56/1026222356.db2.gz ULNJNTYLLGRTAL-FPMFFAJLSA-N 2 1 343.334 3.911 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)ccc1OC ZINC000840815248 1026378428 /nfs/dbraw/zinc/37/84/28/1026378428.db2.gz CPKLRIUNMMMKSJ-JKSUJKDBSA-N 2 1 344.503 3.682 20 0 EHADMP CC[N@@H+](CCn1cccn1)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168059791 1026401968 /nfs/dbraw/zinc/40/19/68/1026401968.db2.gz HFNUIMFKWLORHL-OALUTQOASA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@@H+](CCn1cccn1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059791 1026401979 /nfs/dbraw/zinc/40/19/79/1026401979.db2.gz HFNUIMFKWLORHL-OALUTQOASA-N 2 1 340.515 3.647 20 0 EHADMP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000475285689 1026441034 /nfs/dbraw/zinc/44/10/34/1026441034.db2.gz MNOALENMACWOMD-ICSRJNTNSA-N 2 1 340.515 3.507 20 0 EHADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334902 1026488045 /nfs/dbraw/zinc/48/80/45/1026488045.db2.gz FOGFOLGUGRVKJG-QIJUGHKUSA-N 2 1 342.527 3.503 20 0 EHADMP C[C@H](CC1CCOCC1)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334902 1026488054 /nfs/dbraw/zinc/48/80/54/1026488054.db2.gz FOGFOLGUGRVKJG-QIJUGHKUSA-N 2 1 342.527 3.503 20 0 EHADMP C[C@H](CC1CCOCC1)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334902 1026488059 /nfs/dbraw/zinc/48/80/59/1026488059.db2.gz FOGFOLGUGRVKJG-QIJUGHKUSA-N 2 1 342.527 3.503 20 0 EHADMP CC(C)O[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168062378 1026526502 /nfs/dbraw/zinc/52/65/02/1026526502.db2.gz KNERGNVYSLZZGE-DBXWQHBBSA-N 2 1 330.516 3.927 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2C(C)(C)O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064209 1026588068 /nfs/dbraw/zinc/58/80/68/1026588068.db2.gz OXMJYENLRRINCQ-PIKOESSRSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2C(C)(C)O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064209 1026588071 /nfs/dbraw/zinc/58/80/71/1026588071.db2.gz OXMJYENLRRINCQ-PIKOESSRSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064209 1026588076 /nfs/dbraw/zinc/58/80/76/1026588076.db2.gz OXMJYENLRRINCQ-PIKOESSRSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064209 1026588079 /nfs/dbraw/zinc/58/80/79/1026588079.db2.gz OXMJYENLRRINCQ-PIKOESSRSA-N 2 1 330.516 3.663 20 0 EHADMP CC[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301078196 1026677000 /nfs/dbraw/zinc/67/70/00/1026677000.db2.gz CWGCNILPAOORBQ-UHFFFAOYSA-N 2 1 334.261 3.894 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605642 1026719858 /nfs/dbraw/zinc/71/98/58/1026719858.db2.gz KDEFYJZFFJOHMV-FQEVSTJZSA-N 3 1 341.543 3.505 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605642 1026719867 /nfs/dbraw/zinc/71/98/67/1026719867.db2.gz KDEFYJZFFJOHMV-FQEVSTJZSA-N 3 1 341.543 3.505 20 0 EHADMP Cc1cc(-c2nnc(C[NH+]3CCC(CCC[NH+](C)C)CC3)o2)c(C)o1 ZINC000123264104 1027079246 /nfs/dbraw/zinc/07/92/46/1027079246.db2.gz CFFHWQJHFGUSBD-UHFFFAOYSA-N 2 1 346.475 3.500 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272765286 1027101106 /nfs/dbraw/zinc/10/11/06/1027101106.db2.gz LYONJRCRZLDMRY-GUXCAODWSA-N 2 1 341.499 3.895 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000475681818 1027180416 /nfs/dbraw/zinc/18/04/16/1027180416.db2.gz MCOCOJKKEUCPOP-UDEWTMQYSA-N 2 1 344.543 3.959 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OCCC(C)C ZINC000531683000 1027208871 /nfs/dbraw/zinc/20/88/71/1027208871.db2.gz XYMIBBYHSJOCJG-ZIFCJYIRSA-N 2 1 348.531 3.938 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OCCC(C)C ZINC000531683000 1027208888 /nfs/dbraw/zinc/20/88/88/1027208888.db2.gz XYMIBBYHSJOCJG-ZIFCJYIRSA-N 2 1 348.531 3.938 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000531735188 1027259912 /nfs/dbraw/zinc/25/99/12/1027259912.db2.gz FQLUMZFEIMVZNE-LZJOCLMNSA-N 2 1 326.484 3.927 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccn3)[C@@H]3CCC[C@H]32)cc1 ZINC000453052672 1027295221 /nfs/dbraw/zinc/29/52/21/1027295221.db2.gz DCYQBRCUVALYMT-FDFHNCONSA-N 2 1 335.495 3.657 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453150886 1027422807 /nfs/dbraw/zinc/42/28/07/1027422807.db2.gz MUOFUYNPVZKEFO-BURNTYAHSA-N 2 1 330.516 3.570 20 0 EHADMP CC[N@@H+](Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000420301264 1027450681 /nfs/dbraw/zinc/45/06/81/1027450681.db2.gz ALBACMUJQHNSEZ-OAHLLOKOSA-N 2 1 325.294 3.722 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCC1 ZINC000420298902 1027451143 /nfs/dbraw/zinc/45/11/43/1027451143.db2.gz ADQDMDQBIBWJSF-UHFFFAOYSA-N 2 1 346.887 3.687 20 0 EHADMP CCc1ccc(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000420310043 1027457004 /nfs/dbraw/zinc/45/70/04/1027457004.db2.gz LYEHHKJPVVNXSF-JOCHJYFZSA-N 2 1 337.511 3.831 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000420324990 1027478504 /nfs/dbraw/zinc/47/85/04/1027478504.db2.gz VWWCGQOWTKRGMJ-WIYYLYMNSA-N 2 1 340.467 3.583 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327204 1027479753 /nfs/dbraw/zinc/47/97/53/1027479753.db2.gz KZFQPXKGGRLMSS-FVQBIDKESA-N 2 1 337.305 3.832 20 0 EHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332601 1027482820 /nfs/dbraw/zinc/48/28/20/1027482820.db2.gz GOZQBMONNLTWLJ-UKRRQHHQSA-N 2 1 348.441 3.956 20 0 EHADMP [NH3+]C[C@@H]([NH2+]CCOc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420352795 1027484742 /nfs/dbraw/zinc/48/47/42/1027484742.db2.gz ATKSSWDGFGPNOK-OAHLLOKOSA-N 2 1 331.287 3.869 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cccc(OC(C)C)c2)cc1 ZINC000420371071 1027496893 /nfs/dbraw/zinc/49/68/93/1027496893.db2.gz KCWYTWPVLFMWCZ-LJQANCHMSA-N 2 1 342.483 3.657 20 0 EHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000420390738 1027507952 /nfs/dbraw/zinc/50/79/52/1027507952.db2.gz ZSVNMQLCPQTFOO-MSOLQXFVSA-N 2 1 349.544 3.519 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420395642 1027511787 /nfs/dbraw/zinc/51/17/87/1027511787.db2.gz DRMGAMHZQOPEOW-BBRMVZONSA-N 2 1 344.890 3.522 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420395643 1027512005 /nfs/dbraw/zinc/51/20/05/1027512005.db2.gz DRMGAMHZQOPEOW-CJNGLKHVSA-N 2 1 344.890 3.522 20 0 EHADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657588904 1027518405 /nfs/dbraw/zinc/51/84/05/1027518405.db2.gz PINQQRTXJPIYAL-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657588904 1027518414 /nfs/dbraw/zinc/51/84/14/1027518414.db2.gz PINQQRTXJPIYAL-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595821 1027572490 /nfs/dbraw/zinc/57/24/90/1027572490.db2.gz KMYIRHUVFQZBQW-MGPUTAFESA-N 2 1 344.886 3.757 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)o1 ZINC000564408323 1027715161 /nfs/dbraw/zinc/71/51/61/1027715161.db2.gz NMCQAJKRIQDCDX-MAUKXSAKSA-N 2 1 347.528 3.597 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000414664102 1027755645 /nfs/dbraw/zinc/75/56/45/1027755645.db2.gz TUCSKBXMIFLBOI-MGPUTAFESA-N 2 1 328.431 3.574 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669239 1027786107 /nfs/dbraw/zinc/78/61/07/1027786107.db2.gz JUCQOIJHGUTVNI-FERLCFGISA-N 2 1 336.479 3.820 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669239 1027786124 /nfs/dbraw/zinc/78/61/24/1027786124.db2.gz JUCQOIJHGUTVNI-FERLCFGISA-N 2 1 336.479 3.820 20 0 EHADMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000414476862 1027805200 /nfs/dbraw/zinc/80/52/00/1027805200.db2.gz BPNDJWLBLLQPRH-QGZVFWFLSA-N 2 1 328.460 3.768 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@H]1C[NH3+] ZINC000422631448 1027831391 /nfs/dbraw/zinc/83/13/91/1027831391.db2.gz FNULXOFWXMARDO-JFIYKMOQSA-N 2 1 325.456 3.679 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000414687006 1027871113 /nfs/dbraw/zinc/87/11/13/1027871113.db2.gz GXRWAFLJHPPCNU-CPUCHLNUSA-N 2 1 337.305 3.974 20 0 EHADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422692661 1027871553 /nfs/dbraw/zinc/87/15/53/1027871553.db2.gz KQUHEGKZORCNBQ-NJDAHSKKSA-N 2 1 329.532 3.539 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686754 1027891040 /nfs/dbraw/zinc/89/10/40/1027891040.db2.gz DPNZXINOWOAPAD-HXUWFJFHSA-N 2 1 329.532 3.983 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686754 1027891061 /nfs/dbraw/zinc/89/10/61/1027891061.db2.gz DPNZXINOWOAPAD-HXUWFJFHSA-N 2 1 329.532 3.983 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686754 1027891086 /nfs/dbraw/zinc/89/10/86/1027891086.db2.gz DPNZXINOWOAPAD-HXUWFJFHSA-N 2 1 329.532 3.983 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686754 1027891118 /nfs/dbraw/zinc/89/11/18/1027891118.db2.gz DPNZXINOWOAPAD-HXUWFJFHSA-N 2 1 329.532 3.983 20 0 EHADMP c1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCC2)cc1 ZINC000420931604 1027908866 /nfs/dbraw/zinc/90/88/66/1027908866.db2.gz GIWRKBPSHAVHBO-UHFFFAOYSA-N 2 1 336.479 3.688 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414693664 1027950117 /nfs/dbraw/zinc/95/01/17/1027950117.db2.gz MVIIJBLSQZCMDW-IAGOWNOFSA-N 2 1 327.472 3.594 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000420973443 1027951582 /nfs/dbraw/zinc/95/15/82/1027951582.db2.gz CLKUGGDJVUPEIY-QGZVFWFLSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000422808063 1027958058 /nfs/dbraw/zinc/95/80/58/1027958058.db2.gz PZTXFGHAQKNRHD-SVIJTADQSA-N 2 1 335.451 3.831 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000422875773 1028009964 /nfs/dbraw/zinc/00/99/64/1028009964.db2.gz DFSZPMDVXBIWKY-HUUCEWRRSA-N 2 1 344.890 3.633 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422883991 1028016635 /nfs/dbraw/zinc/01/66/35/1028016635.db2.gz DJZWLAJXQYCTIS-VBRDXMQMSA-N 2 1 349.522 3.877 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422883992 1028017364 /nfs/dbraw/zinc/01/73/64/1028017364.db2.gz DJZWLAJXQYCTIS-XVUVWMAZSA-N 2 1 349.522 3.877 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000422890795 1028025114 /nfs/dbraw/zinc/02/51/14/1028025114.db2.gz SXUUGGXNZAOCIC-WOJBJXKFSA-N 2 1 332.451 3.724 20 0 EHADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)o2)cs1 ZINC000422949121 1028086903 /nfs/dbraw/zinc/08/69/03/1028086903.db2.gz SWCQGQVOXNJAOX-HRCADAONSA-N 2 1 331.485 3.722 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)c2ccccc21 ZINC000422956194 1028093501 /nfs/dbraw/zinc/09/35/01/1028093501.db2.gz ONFZVSUIUGXCGZ-RTBURBONSA-N 2 1 333.435 3.738 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000423008827 1028122138 /nfs/dbraw/zinc/12/21/38/1028122138.db2.gz BDZOBEMPOASQOW-VNTMZGSJSA-N 2 1 341.886 3.820 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000423018930 1028127293 /nfs/dbraw/zinc/12/72/93/1028127293.db2.gz SMKVICWDMUEJQN-XWSJACJDSA-N 2 1 330.378 3.529 20 0 EHADMP Cc1ccc2c(CC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cn(C)c2c1 ZINC000423059322 1028153466 /nfs/dbraw/zinc/15/34/66/1028153466.db2.gz LPQGOEFURVSRBD-UTKZUKDTSA-N 2 1 335.495 3.577 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423065426 1028156633 /nfs/dbraw/zinc/15/66/33/1028156633.db2.gz UKLPOSPWXCGMEA-QGTPRVQTSA-N 2 1 336.401 3.881 20 0 EHADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423078283 1028167016 /nfs/dbraw/zinc/16/70/16/1028167016.db2.gz OBDOOEZFOIVZOJ-GXRSIYKFSA-N 2 1 336.479 3.847 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000423085533 1028171785 /nfs/dbraw/zinc/17/17/85/1028171785.db2.gz KTDSJWKYKWQWMK-GGAORHGYSA-N 2 1 349.522 3.986 20 0 EHADMP FC(F)(F)C[C@H]1CC[N@@H+](CCC[NH+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444700448 1028176405 /nfs/dbraw/zinc/17/64/05/1028176405.db2.gz FWVIFJJJXAOZDJ-BETUJISGSA-N 2 1 346.359 3.925 20 0 EHADMP FC(F)(F)C[C@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444700448 1028176415 /nfs/dbraw/zinc/17/64/15/1028176415.db2.gz FWVIFJJJXAOZDJ-BETUJISGSA-N 2 1 346.359 3.925 20 0 EHADMP FC(F)(F)C[C@H]1CC[NH+](CCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444700448 1028176419 /nfs/dbraw/zinc/17/64/19/1028176419.db2.gz FWVIFJJJXAOZDJ-BETUJISGSA-N 2 1 346.359 3.925 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]1 ZINC000414716115 1028179683 /nfs/dbraw/zinc/17/96/83/1028179683.db2.gz ZGTULUIVKRESQU-FRRDWIJNSA-N 2 1 347.450 3.729 20 0 EHADMP c1ccc([C@@H]2C[C@H]2C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414717657 1028190647 /nfs/dbraw/zinc/19/06/47/1028190647.db2.gz PYMJKZZMDIVTAA-NNWRFLSQSA-N 2 1 335.495 3.829 20 0 EHADMP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423123826 1028191373 /nfs/dbraw/zinc/19/13/73/1028191373.db2.gz FIFLGNIHTRRNTD-REBRKWNGSA-N 2 1 340.920 3.526 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423111700 1028205160 /nfs/dbraw/zinc/20/51/60/1028205160.db2.gz JAJGVUCLUQPEOY-WBAXXEDZSA-N 2 1 338.442 3.903 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423149456 1028209160 /nfs/dbraw/zinc/20/91/60/1028209160.db2.gz ARXXPDLOHASIKJ-YHINDDMVSA-N 2 1 342.527 3.707 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000423184046 1028232383 /nfs/dbraw/zinc/23/23/83/1028232383.db2.gz HMOFBZKKIGFTBS-CQSZACIVSA-N 2 1 348.288 3.675 20 0 EHADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423168920 1028238885 /nfs/dbraw/zinc/23/88/85/1028238885.db2.gz VJFKORULUVQZMF-ZKIDJSGLSA-N 2 1 348.918 3.723 20 0 EHADMP CCn1ccnc1C[N@@H+](CC1CCCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414720853 1028247799 /nfs/dbraw/zinc/24/77/99/1028247799.db2.gz DLQWMNPICNULCY-LJQANCHMSA-N 2 1 344.547 3.818 20 0 EHADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000423208045 1028253815 /nfs/dbraw/zinc/25/38/15/1028253815.db2.gz YLSXZZWBHAPVJF-LLVKDONJSA-N 2 1 341.286 3.748 20 0 EHADMP CC(C)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(F)ccc1F ZINC000423192217 1028261422 /nfs/dbraw/zinc/26/14/22/1028261422.db2.gz UTSCIIPZULSODF-LJQANCHMSA-N 2 1 333.426 3.826 20 0 EHADMP Cn1ccnc1C[N@@H+](CCC1CCCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414723953 1028270783 /nfs/dbraw/zinc/27/07/83/1028270783.db2.gz QPXQOUCZUVAANX-LJQANCHMSA-N 2 1 344.547 3.725 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000423249378 1028309023 /nfs/dbraw/zinc/30/90/23/1028309023.db2.gz SVZSZUIWVKEPBA-KAOXLYBCSA-N 2 1 349.522 3.577 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423283123 1028323646 /nfs/dbraw/zinc/32/36/46/1028323646.db2.gz XGHRRMVUPWZGJW-KBXCAEBGSA-N 2 1 334.410 3.823 20 0 EHADMP COC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1F ZINC000423293125 1028332368 /nfs/dbraw/zinc/33/23/68/1028332368.db2.gz PUTAGFZNDYIYOM-SJCJKPOMSA-N 2 1 336.838 3.976 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)CC1 ZINC000459374696 1028335570 /nfs/dbraw/zinc/33/55/70/1028335570.db2.gz LTOPHMFPGLWIRF-UHFFFAOYSA-N 2 1 349.522 3.601 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294551 1028353420 /nfs/dbraw/zinc/35/34/20/1028353420.db2.gz UVBGXPLAQBOZPX-FGSXEWAUSA-N 3 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294551 1028353425 /nfs/dbraw/zinc/35/34/25/1028353425.db2.gz UVBGXPLAQBOZPX-FGSXEWAUSA-N 2 1 337.511 3.707 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000423324223 1028363973 /nfs/dbraw/zinc/36/39/73/1028363973.db2.gz KIZVMEUASLEZHC-QAPCUYQASA-N 2 1 342.487 3.613 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374349 1028378128 /nfs/dbraw/zinc/37/81/28/1028378128.db2.gz IHPBACCDMATSGE-WBDAEOGXSA-N 2 1 347.506 3.575 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374349 1028378147 /nfs/dbraw/zinc/37/81/47/1028378147.db2.gz IHPBACCDMATSGE-WBDAEOGXSA-N 2 1 347.506 3.575 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC000423374349 1028378159 /nfs/dbraw/zinc/37/81/59/1028378159.db2.gz IHPBACCDMATSGE-WBDAEOGXSA-N 2 1 347.506 3.575 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423349319 1028379577 /nfs/dbraw/zinc/37/95/77/1028379577.db2.gz VNZPISSQCKMSTR-JXFKEZNVSA-N 2 1 325.456 3.914 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOCC3CCC3)CC23CC3)cc1 ZINC000582964506 1028385411 /nfs/dbraw/zinc/38/54/11/1028385411.db2.gz RSQIXPHVASWSBA-FQEVSTJZSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCOCC3CCC3)CC23CC3)cc1 ZINC000582964506 1028385430 /nfs/dbraw/zinc/38/54/30/1028385430.db2.gz RSQIXPHVASWSBA-FQEVSTJZSA-N 2 1 328.500 3.590 20 0 EHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909614410 1028452203 /nfs/dbraw/zinc/45/22/03/1028452203.db2.gz VJNNGDBZPFSZJB-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909614410 1028452211 /nfs/dbraw/zinc/45/22/11/1028452211.db2.gz VJNNGDBZPFSZJB-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423484128 1028475015 /nfs/dbraw/zinc/47/50/15/1028475015.db2.gz ZUPVCHDHJIHJHB-QAJIEZEQSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423488863 1028477182 /nfs/dbraw/zinc/47/71/82/1028477182.db2.gz FEIJHMHWCCWYOZ-DLBZAZTESA-N 2 1 344.421 3.761 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000194010963 1028485668 /nfs/dbraw/zinc/48/56/68/1028485668.db2.gz GUEIGCAIAMYVBJ-JCHJZTRSSA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000194010963 1028485677 /nfs/dbraw/zinc/48/56/77/1028485677.db2.gz GUEIGCAIAMYVBJ-JCHJZTRSSA-N 2 1 346.540 3.507 20 0 EHADMP CN(Cc1cc(Cl)ccc1OC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000508517256 1028486802 /nfs/dbraw/zinc/48/68/02/1028486802.db2.gz CCDXOVYRZTZFKJ-LBPRGKRZSA-N 2 1 332.822 3.715 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646544 1028495579 /nfs/dbraw/zinc/49/55/79/1028495579.db2.gz DJMOTXZCKCWMPH-VXKWHMMOSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646544 1028495587 /nfs/dbraw/zinc/49/55/87/1028495587.db2.gz DJMOTXZCKCWMPH-VXKWHMMOSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646544 1028495593 /nfs/dbraw/zinc/49/55/93/1028495593.db2.gz DJMOTXZCKCWMPH-VXKWHMMOSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646544 1028495600 /nfs/dbraw/zinc/49/56/00/1028495600.db2.gz DJMOTXZCKCWMPH-VXKWHMMOSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646544 1028495608 /nfs/dbraw/zinc/49/56/08/1028495608.db2.gz DJMOTXZCKCWMPH-VXKWHMMOSA-N 2 1 341.543 3.589 20 0 EHADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535435 1028504215 /nfs/dbraw/zinc/50/42/15/1028504215.db2.gz XOTIORBSKWDDTP-ZYSHUDEJSA-N 2 1 326.509 3.685 20 0 EHADMP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000894259553 1028518313 /nfs/dbraw/zinc/51/83/13/1028518313.db2.gz WQLLZFMFYWTPJV-UHFFFAOYSA-N 2 1 338.499 3.638 20 0 EHADMP C[C@H]1C[C@H](C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414751171 1028518547 /nfs/dbraw/zinc/51/85/47/1028518547.db2.gz SECKXWDAYBMRLN-DZGCQCFKSA-N 2 1 345.314 3.566 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000246983891 1028724166 /nfs/dbraw/zinc/72/41/66/1028724166.db2.gz JUJHOCBFIJJXPH-CFVMTHIKSA-N 2 1 328.378 3.863 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000247097370 1028746622 /nfs/dbraw/zinc/74/66/22/1028746622.db2.gz PUZMJAFUAWIOCW-DYESRHJHSA-N 2 1 340.515 3.893 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cc1 ZINC000414772076 1028753026 /nfs/dbraw/zinc/75/30/26/1028753026.db2.gz SKKFYEZYGXOOGF-CALCHBBNSA-N 2 1 327.497 3.550 20 0 EHADMP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)o1 ZINC000628202212 1028758816 /nfs/dbraw/zinc/75/88/16/1028758816.db2.gz LLJWURYBTMBWBE-HNNXBMFYSA-N 2 1 327.472 3.956 20 0 EHADMP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000628202212 1028758827 /nfs/dbraw/zinc/75/88/27/1028758827.db2.gz LLJWURYBTMBWBE-HNNXBMFYSA-N 2 1 327.472 3.956 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247980310 1028836286 /nfs/dbraw/zinc/83/62/86/1028836286.db2.gz IHFLPQOGVOLRKY-IKVWTGGYSA-N 2 1 329.532 3.530 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248442218 1028902908 /nfs/dbraw/zinc/90/29/08/1028902908.db2.gz KRHRYEMUEDAYBY-MGPUTAFESA-N 2 1 344.886 3.757 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424259079 1028914681 /nfs/dbraw/zinc/91/46/81/1028914681.db2.gz MMGLESPTOUAWCO-SFHVURJKSA-N 2 1 329.513 3.891 20 0 EHADMP c1csc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000424267583 1028922036 /nfs/dbraw/zinc/92/20/36/1028922036.db2.gz MQJHGJKVWFCQJJ-KSZLIROESA-N 2 1 327.497 3.643 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)cc(C[NH3+])c2)cc1)C(C)C ZINC000424244310 1028925787 /nfs/dbraw/zinc/92/57/87/1028925787.db2.gz QYHKQYWINIEOBC-UHFFFAOYSA-N 2 1 339.483 3.936 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@H](C4CC4)C2)C3)cc1 ZINC000248761842 1028948462 /nfs/dbraw/zinc/94/84/62/1028948462.db2.gz DSTATJRUUSKUHK-BDHVOXNPSA-N 2 1 340.511 3.729 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](c3ccco3)N(C)C)CC2)C1 ZINC000154095238 1029015501 /nfs/dbraw/zinc/01/55/01/1029015501.db2.gz ZPXCFVSPXQTZFE-NEWSRXKRSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](c3ccco3)[NH+](C)C)CC2)C1 ZINC000154095238 1029015516 /nfs/dbraw/zinc/01/55/16/1029015516.db2.gz ZPXCFVSPXQTZFE-NEWSRXKRSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(-c3ccsc3)s1)CC[NH2+]CC2 ZINC000424375764 1029033307 /nfs/dbraw/zinc/03/33/07/1029033307.db2.gz KAKIXOISSNANIT-ZDUSSCGKSA-N 2 1 333.526 3.836 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424380607 1029036786 /nfs/dbraw/zinc/03/67/86/1029036786.db2.gz QBIXYGGPGQVEKQ-AWEZNQCLSA-N 2 1 344.890 3.694 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424380108 1029037260 /nfs/dbraw/zinc/03/72/60/1029037260.db2.gz PIFOBMXRBOPCMF-QGZVFWFLSA-N 2 1 346.515 3.838 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414786927 1029046112 /nfs/dbraw/zinc/04/61/12/1029046112.db2.gz BXWNPEYTSKZZOE-GFCCVEGCSA-N 2 1 328.300 3.797 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccncc2)CCN1Cc1ccccc1 ZINC000544405065 1029066453 /nfs/dbraw/zinc/06/64/53/1029066453.db2.gz NZSLOADDTVNJOY-KNQAVFIVSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000544405065 1029066469 /nfs/dbraw/zinc/06/64/69/1029066469.db2.gz NZSLOADDTVNJOY-KNQAVFIVSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000544405065 1029066488 /nfs/dbraw/zinc/06/64/88/1029066488.db2.gz NZSLOADDTVNJOY-KNQAVFIVSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405065 1029066509 /nfs/dbraw/zinc/06/65/09/1029066509.db2.gz NZSLOADDTVNJOY-KNQAVFIVSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405065 1029066528 /nfs/dbraw/zinc/06/65/28/1029066528.db2.gz NZSLOADDTVNJOY-KNQAVFIVSA-N 2 1 337.511 3.999 20 0 EHADMP c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790350 1029084587 /nfs/dbraw/zinc/08/45/87/1029084587.db2.gz ZQAWSFFIPFGRDR-SJORKVTESA-N 2 1 327.497 3.632 20 0 EHADMP C[NH+](CCCCC[N@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000532988480 1029146193 /nfs/dbraw/zinc/14/61/93/1029146193.db2.gz VYSWZPYUIALWKB-UHFFFAOYSA-N 2 1 342.483 3.832 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728491 1029174466 /nfs/dbraw/zinc/17/44/66/1029174466.db2.gz VRTFRJTXIUVSCG-CVEARBPZSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728491 1029174473 /nfs/dbraw/zinc/17/44/73/1029174473.db2.gz VRTFRJTXIUVSCG-CVEARBPZSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728491 1029174481 /nfs/dbraw/zinc/17/44/81/1029174481.db2.gz VRTFRJTXIUVSCG-CVEARBPZSA-N 2 1 333.545 3.686 20 0 EHADMP CCC[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245740083 1029221517 /nfs/dbraw/zinc/22/15/17/1029221517.db2.gz RKWNKEUYFUGLTI-ZIBCJSCZSA-N 2 1 330.516 3.570 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245740079 1029221848 /nfs/dbraw/zinc/22/18/48/1029221848.db2.gz RKWNKEUYFUGLTI-WLRLJWMZSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000414807372 1029255250 /nfs/dbraw/zinc/25/52/50/1029255250.db2.gz CSIYJVVKZHNOBI-LLGFUMIMSA-N 3 1 329.532 3.839 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000272343150 1029424516 /nfs/dbraw/zinc/42/45/16/1029424516.db2.gz BYOOFACJCPZCDI-LEWJYISDSA-N 2 1 346.490 3.588 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000162258313 1029511460 /nfs/dbraw/zinc/51/14/60/1029511460.db2.gz OSZVRBFALNJLSJ-RBUKOAKNSA-N 2 1 330.520 3.867 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272724604 1029580822 /nfs/dbraw/zinc/58/08/22/1029580822.db2.gz YIIQZTILJHCOMJ-YRNRMSPPSA-N 2 1 328.500 3.925 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000246062235 1029619474 /nfs/dbraw/zinc/61/94/74/1029619474.db2.gz RLEPSHKXUAVGPL-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000246062235 1029619481 /nfs/dbraw/zinc/61/94/81/1029619481.db2.gz RLEPSHKXUAVGPL-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000125900016 1029629485 /nfs/dbraw/zinc/62/94/85/1029629485.db2.gz MKXYQIZZFPTNAP-ZWKOTPCHSA-N 2 1 326.488 3.643 20 0 EHADMP Fc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000655764201 1029665969 /nfs/dbraw/zinc/66/59/69/1029665969.db2.gz DYSWMOWRVQBAGX-DUXKGJEZSA-N 2 1 346.490 3.695 20 0 EHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000446839052 1029807997 /nfs/dbraw/zinc/80/79/97/1029807997.db2.gz OSLLFDSEJIJHGF-RTWAWAEBSA-N 2 1 332.532 3.938 20 0 EHADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000428662502 1029868315 /nfs/dbraw/zinc/86/83/15/1029868315.db2.gz DXZSWOGQZOBPDC-AWEZNQCLSA-N 2 1 348.288 3.918 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000650705380 1029972565 /nfs/dbraw/zinc/97/25/65/1029972565.db2.gz FSLCRNOWGAKOOY-OGHNNQOOSA-N 2 1 343.298 3.712 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3CCCC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000453279110 1030019589 /nfs/dbraw/zinc/01/95/89/1030019589.db2.gz DWRPKCVKLQNULS-YPAWHYETSA-N 2 1 340.511 3.614 20 0 EHADMP Cc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650708930 1030032491 /nfs/dbraw/zinc/03/24/91/1030032491.db2.gz VXUSORUKFLURPP-SUNYJGFJSA-N 2 1 340.870 3.506 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771349 1030149222 /nfs/dbraw/zinc/14/92/22/1030149222.db2.gz HBFNIPLUFDEQOJ-LJQANCHMSA-N 2 1 339.483 3.683 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771349 1030149227 /nfs/dbraw/zinc/14/92/27/1030149227.db2.gz HBFNIPLUFDEQOJ-LJQANCHMSA-N 2 1 339.483 3.683 20 0 EHADMP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453357707 1030151469 /nfs/dbraw/zinc/15/14/69/1030151469.db2.gz LJIZIMZEWHFZCY-PXNSSMCTSA-N 2 1 348.556 3.907 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C[C@@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771271 1030155013 /nfs/dbraw/zinc/15/50/13/1030155013.db2.gz ADPDSXZOVGEWDD-OALUTQOASA-N 2 1 330.541 3.631 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000531967157 1030158055 /nfs/dbraw/zinc/15/80/55/1030158055.db2.gz APJISGKMIKTBBG-SVMVAKDDSA-N 2 1 344.543 3.963 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC[C@H]2CCOC2)C3)cc1 ZINC000453389119 1030190841 /nfs/dbraw/zinc/19/08/41/1030190841.db2.gz WTLAFEFOROJXRA-XSDIEEQYSA-N 2 1 328.500 3.588 20 0 EHADMP Fc1ccc(F)c(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453374795 1030192367 /nfs/dbraw/zinc/19/23/67/1030192367.db2.gz UDZVPUMTMITQKK-RBUKOAKNSA-N 2 1 334.454 3.846 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000650722402 1030193644 /nfs/dbraw/zinc/19/36/44/1030193644.db2.gz RVNCNZMRKSWXLX-ZACQAIPSSA-N 2 1 343.298 3.854 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)ccc1C ZINC000482146312 1030237671 /nfs/dbraw/zinc/23/76/71/1030237671.db2.gz AGFYHQHNVOZJDQ-MOPGFXCFSA-N 2 1 345.531 3.732 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)C1CC1 ZINC000453397648 1030249282 /nfs/dbraw/zinc/24/92/82/1030249282.db2.gz JUXKCSQGHABFDN-HXUWFJFHSA-N 2 1 328.500 3.853 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453449230 1030321805 /nfs/dbraw/zinc/32/18/05/1030321805.db2.gz ZSTPYCBSJAYCHI-HOJAQTOUSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000453449230 1030321821 /nfs/dbraw/zinc/32/18/21/1030321821.db2.gz ZSTPYCBSJAYCHI-HOJAQTOUSA-N 2 1 330.516 3.834 20 0 EHADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447579363 1030344287 /nfs/dbraw/zinc/34/42/87/1030344287.db2.gz KHTNWKHUAZBWAY-ONJCETCRSA-N 2 1 342.527 3.831 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000121707081 1030349140 /nfs/dbraw/zinc/34/91/40/1030349140.db2.gz QPXMGBGQUSGGFZ-FUHIMQAGSA-N 2 1 340.515 3.814 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000121707081 1030349157 /nfs/dbraw/zinc/34/91/57/1030349157.db2.gz QPXMGBGQUSGGFZ-FUHIMQAGSA-N 2 1 340.515 3.814 20 0 EHADMP Cc1ncc(CN(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000668043642 1030405926 /nfs/dbraw/zinc/40/59/26/1030405926.db2.gz XXBXCVNIZHRPOU-NSHDSACASA-N 2 1 342.270 3.935 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000526083912 1030406219 /nfs/dbraw/zinc/40/62/19/1030406219.db2.gz QEQWKNMMZRICTH-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000526083912 1030406232 /nfs/dbraw/zinc/40/62/32/1030406232.db2.gz QEQWKNMMZRICTH-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000526083912 1030406237 /nfs/dbraw/zinc/40/62/37/1030406237.db2.gz QEQWKNMMZRICTH-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000121893459 1030435190 /nfs/dbraw/zinc/43/51/90/1030435190.db2.gz NZJXQFQEKNCKOR-KDOFPFPSSA-N 2 1 334.891 3.936 20 0 EHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000532187891 1030465422 /nfs/dbraw/zinc/46/54/22/1030465422.db2.gz DDWPZDDRJIKBEY-YJBOKZPZSA-N 2 1 347.503 3.527 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000532209070 1030495747 /nfs/dbraw/zinc/49/57/47/1030495747.db2.gz SBLOJGZEYNPVQB-KBXCAEBGSA-N 2 1 329.513 3.938 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCC ZINC000093089008 1030559279 /nfs/dbraw/zinc/55/92/79/1030559279.db2.gz FLVZHFHLNSCIGW-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2C[NH2+]C)cc1)C1CC1 ZINC000122721182 1030720393 /nfs/dbraw/zinc/72/03/93/1030720393.db2.gz FUXPZWUPMIRFDN-UHFFFAOYSA-N 2 1 337.467 3.643 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)c1 ZINC001168353827 1030860734 /nfs/dbraw/zinc/86/07/34/1030860734.db2.gz VZNKEANUPOSAJJ-UHFFFAOYSA-N 2 1 330.369 3.809 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000551008757 1030886123 /nfs/dbraw/zinc/88/61/23/1030886123.db2.gz NYMDEXJDFRWNQT-OAQYLSRUSA-N 2 1 336.479 3.553 20 0 EHADMP c1[nH+]c2cc(NC3(c4ccccn4)CC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168149472 1030930582 /nfs/dbraw/zinc/93/05/82/1030930582.db2.gz RYCFTJUWJVVWCF-KRWDZBQOSA-N 2 1 347.466 3.847 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278474002 1031011927 /nfs/dbraw/zinc/01/19/27/1031011927.db2.gz ODSRXACWUAWNBW-WIYYLYMNSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278474002 1031011949 /nfs/dbraw/zinc/01/19/49/1031011949.db2.gz ODSRXACWUAWNBW-WIYYLYMNSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000551087709 1031029601 /nfs/dbraw/zinc/02/96/01/1031029601.db2.gz YIQFCTFWVLHRJN-YXYSEUPNSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566745896 1031048287 /nfs/dbraw/zinc/04/82/87/1031048287.db2.gz NBCBVZWTNGPWTM-UHFFFAOYSA-N 2 1 336.277 3.556 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000566745896 1031048303 /nfs/dbraw/zinc/04/83/03/1031048303.db2.gz NBCBVZWTNGPWTM-UHFFFAOYSA-N 2 1 336.277 3.556 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000343484170 1031069438 /nfs/dbraw/zinc/06/94/38/1031069438.db2.gz YAWVDHWIKSCURM-HTAPYJJXSA-N 2 1 336.479 3.857 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000483316107 1031093793 /nfs/dbraw/zinc/09/37/93/1031093793.db2.gz SAGRZWQMBMGEIS-ZVDOUQERSA-N 2 1 332.532 3.825 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483481619 1031189399 /nfs/dbraw/zinc/18/93/99/1031189399.db2.gz PVKLCOKUKUWHGC-CKEIUWERSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483481619 1031189409 /nfs/dbraw/zinc/18/94/09/1031189409.db2.gz PVKLCOKUKUWHGC-CKEIUWERSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483481619 1031189414 /nfs/dbraw/zinc/18/94/14/1031189414.db2.gz PVKLCOKUKUWHGC-CKEIUWERSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483481619 1031189421 /nfs/dbraw/zinc/18/94/21/1031189421.db2.gz PVKLCOKUKUWHGC-CKEIUWERSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732398 1031306688 /nfs/dbraw/zinc/30/66/88/1031306688.db2.gz QQVGYQXMHSGJFW-PVXIVEMSSA-N 2 1 328.378 3.645 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732396 1031307674 /nfs/dbraw/zinc/30/76/74/1031307674.db2.gz QQVGYQXMHSGJFW-FFSVYQOJSA-N 2 1 328.378 3.645 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527858291 1031334920 /nfs/dbraw/zinc/33/49/20/1031334920.db2.gz JIFGECGLWWSBIZ-HZPDHXFCSA-N 2 1 337.471 3.579 20 0 EHADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000584002204 1031372112 /nfs/dbraw/zinc/37/21/12/1031372112.db2.gz PIZSXVHMBHUSMW-WBVHZDCISA-N 2 1 346.446 3.581 20 0 EHADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000584002203 1031373154 /nfs/dbraw/zinc/37/31/54/1031373154.db2.gz PIZSXVHMBHUSMW-RDJZCZTQSA-N 2 1 346.446 3.581 20 0 EHADMP Clc1sc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666993893 1031402881 /nfs/dbraw/zinc/40/28/81/1031402881.db2.gz RMNKJGIFTZRROQ-SECBINFHSA-N 2 1 349.725 3.928 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127858 1031462048 /nfs/dbraw/zinc/46/20/48/1031462048.db2.gz KVLXXPRBKXANET-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127858 1031462058 /nfs/dbraw/zinc/46/20/58/1031462058.db2.gz KVLXXPRBKXANET-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000484309329 1031526245 /nfs/dbraw/zinc/52/62/45/1031526245.db2.gz OMJRWLUIIDNYJH-PZJWPPBQSA-N 2 1 344.543 3.820 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000177486856 1031544848 /nfs/dbraw/zinc/54/48/48/1031544848.db2.gz VTUQTQGVLIDJDO-OAQYLSRUSA-N 2 1 330.516 3.933 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000551790277 1031673191 /nfs/dbraw/zinc/67/31/91/1031673191.db2.gz XZWKJGJKSQLOMA-CWFSZBLJSA-N 2 1 327.472 3.762 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278618581 1031677865 /nfs/dbraw/zinc/67/78/65/1031677865.db2.gz GDCCBELPHCESDL-WKCHPHFGSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000278618581 1031677872 /nfs/dbraw/zinc/67/78/72/1031677872.db2.gz GDCCBELPHCESDL-WKCHPHFGSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484646393 1031840553 /nfs/dbraw/zinc/84/05/53/1031840553.db2.gz XSOQUYHUNSQMSF-QUCCMNQESA-N 2 1 327.472 3.870 20 0 EHADMP CCOc1cc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904307758 1031935055 /nfs/dbraw/zinc/93/50/55/1031935055.db2.gz VWOUNOJJQRVQND-SFHVURJKSA-N 2 1 342.430 3.508 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904307758 1031935067 /nfs/dbraw/zinc/93/50/67/1031935067.db2.gz VWOUNOJJQRVQND-SFHVURJKSA-N 2 1 342.430 3.508 20 0 EHADMP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000127422583 1031980308 /nfs/dbraw/zinc/98/03/08/1031980308.db2.gz NJPXHIGROBESGK-OAQYLSRUSA-N 2 1 339.483 3.826 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[NH+](C)C)CCC3)cc1 ZINC000151937430 1033315585 /nfs/dbraw/zinc/31/55/85/1033315585.db2.gz USPGFRZIHQUGAF-INIZCTEOSA-N 2 1 345.512 3.737 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168414062 1033565061 /nfs/dbraw/zinc/56/50/61/1033565061.db2.gz BYMISBOARUQTLT-KKSFZXQISA-N 2 1 326.459 3.780 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000595026460 1033616750 /nfs/dbraw/zinc/61/67/50/1033616750.db2.gz NYKOGTJMRJCZAP-FMKPAKJESA-N 2 1 330.538 3.812 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000595026460 1033616756 /nfs/dbraw/zinc/61/67/56/1033616756.db2.gz NYKOGTJMRJCZAP-FMKPAKJESA-N 2 1 330.538 3.812 20 0 EHADMP COC(=O)CC1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000599018948 1033667686 /nfs/dbraw/zinc/66/76/86/1033667686.db2.gz HCSAQMRFSBRGJR-UHFFFAOYSA-N 2 1 346.515 3.738 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000646217193 1033670445 /nfs/dbraw/zinc/67/04/45/1033670445.db2.gz GJTACVHUJIUCIN-FQEVSTJZSA-N 2 1 339.483 3.605 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000646217193 1033670451 /nfs/dbraw/zinc/67/04/51/1033670451.db2.gz GJTACVHUJIUCIN-FQEVSTJZSA-N 2 1 339.483 3.605 20 0 EHADMP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000603493800 1033706937 /nfs/dbraw/zinc/70/69/37/1033706937.db2.gz IPGNAXZCGVWIMI-AWEZNQCLSA-N 2 1 348.288 3.964 20 0 EHADMP CC(C)[C@@H]1C[NH+](C/C=C\C[N@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000608577908 1033772525 /nfs/dbraw/zinc/77/25/25/1033772525.db2.gz SIIGKPURBZQPGQ-SLXDBMQSSA-N 2 1 342.618 3.689 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1C ZINC000658141674 1033987705 /nfs/dbraw/zinc/98/77/05/1033987705.db2.gz SZWAJPPBEUOKRA-NQIIRXRSSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1Cl ZINC000658143257 1033989995 /nfs/dbraw/zinc/98/99/95/1033989995.db2.gz GUBYRJYYFHUZFW-QAPCUYQASA-N 2 1 344.886 3.757 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658140627 1034003978 /nfs/dbraw/zinc/00/39/78/1034003978.db2.gz VOKKLYINXXYCDO-RBUKOAKNSA-N 2 1 330.497 3.556 20 0 EHADMP c1oc(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120626733 1034005671 /nfs/dbraw/zinc/00/56/71/1034005671.db2.gz URANZEUJYJHYNW-UHFFFAOYSA-N 2 1 325.456 3.649 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000658167853 1034031024 /nfs/dbraw/zinc/03/10/24/1034031024.db2.gz QSUVPYYBMTWHKV-PXNSSMCTSA-N 2 1 334.479 3.756 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529529760 1034113346 /nfs/dbraw/zinc/11/33/46/1034113346.db2.gz DHLWZOOVIDKBMA-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529529760 1034113350 /nfs/dbraw/zinc/11/33/50/1034113350.db2.gz DHLWZOOVIDKBMA-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316785 1034192394 /nfs/dbraw/zinc/19/23/94/1034192394.db2.gz HDYGJHZFWUKHNU-IEBWSBKVSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001168120036 1034280033 /nfs/dbraw/zinc/28/00/33/1034280033.db2.gz UTYAJWVENUSVLW-LMMKCTJWSA-N 2 1 332.488 3.524 20 0 EHADMP C[C@H](c1cccc2ccccc21)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000604387410 1034359322 /nfs/dbraw/zinc/35/93/22/1034359322.db2.gz CSKGBTQIVAPXIZ-QGZVFWFLSA-N 2 1 326.484 3.679 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181902 1034409950 /nfs/dbraw/zinc/40/99/50/1034409950.db2.gz JXDMBEGIRDBLNO-NHCUHLMSSA-N 2 1 337.467 3.570 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181902 1034409962 /nfs/dbraw/zinc/40/99/62/1034409962.db2.gz JXDMBEGIRDBLNO-NHCUHLMSSA-N 2 1 337.467 3.570 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@@H]1c1ccccc1 ZINC000340207428 1034467102 /nfs/dbraw/zinc/46/71/02/1034467102.db2.gz YHQFSROQDKVPIN-IFMALSPDSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@@H]1c1ccccc1 ZINC000340207428 1034467109 /nfs/dbraw/zinc/46/71/09/1034467109.db2.gz YHQFSROQDKVPIN-IFMALSPDSA-N 2 1 346.478 3.797 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)sc1C ZINC000340268001 1034473287 /nfs/dbraw/zinc/47/32/87/1034473287.db2.gz PLOWWRFKCTWROQ-ROUUACIJSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)sc1C ZINC000340268001 1034473299 /nfs/dbraw/zinc/47/32/99/1034473299.db2.gz PLOWWRFKCTWROQ-ROUUACIJSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340309518 1034490934 /nfs/dbraw/zinc/49/09/34/1034490934.db2.gz OVPXMYSRBMTNOM-ZMYBRWDISA-N 2 1 327.472 3.820 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340309518 1034490941 /nfs/dbraw/zinc/49/09/41/1034490941.db2.gz OVPXMYSRBMTNOM-ZMYBRWDISA-N 2 1 327.472 3.820 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C)c(C(=O)OC)o2)cc1 ZINC000597042456 1034510723 /nfs/dbraw/zinc/51/07/23/1034510723.db2.gz CZTTWCVLWYDZQF-UHFFFAOYSA-N 2 1 344.455 3.506 20 0 EHADMP C[C@@H]1OCC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390583252 1034755816 /nfs/dbraw/zinc/75/58/16/1034755816.db2.gz JZPMDWBOQLUECF-UGKGYDQZSA-N 2 1 338.495 3.846 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H](C)C1 ZINC000450763600 1034758141 /nfs/dbraw/zinc/75/81/41/1034758141.db2.gz UGXADPFBIMAVJK-JUPVMDRSSA-N 2 1 330.516 3.817 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)cc1 ZINC000605519236 1034774331 /nfs/dbraw/zinc/77/43/31/1034774331.db2.gz CEEPIKJIAAXJIN-FQEVSTJZSA-N 2 1 345.531 3.523 20 0 EHADMP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918440 1034798278 /nfs/dbraw/zinc/79/82/78/1034798278.db2.gz RUAXOQWSZBPONN-APWZRJJASA-N 2 1 336.907 3.835 20 0 EHADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918440 1034798291 /nfs/dbraw/zinc/79/82/91/1034798291.db2.gz RUAXOQWSZBPONN-APWZRJJASA-N 2 1 336.907 3.835 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CCCC4)C2)cc1 ZINC000390646637 1034822993 /nfs/dbraw/zinc/82/29/93/1034822993.db2.gz MIZHMPCYUSFWMT-SFTDATJTSA-N 2 1 342.527 3.980 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CCCC4)C2)cc1 ZINC000390646637 1034823009 /nfs/dbraw/zinc/82/30/09/1034823009.db2.gz MIZHMPCYUSFWMT-SFTDATJTSA-N 2 1 342.527 3.980 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Cl)c1 ZINC000584474297 1034825520 /nfs/dbraw/zinc/82/55/20/1034825520.db2.gz LJQDUUHWLZJLES-UHFFFAOYSA-N 2 1 347.890 3.664 20 0 EHADMP CCc1cc(CCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)on1 ZINC000450879237 1034905911 /nfs/dbraw/zinc/90/59/11/1034905911.db2.gz NLRRULQXGDZNGU-UHFFFAOYSA-N 2 1 342.487 3.582 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000548931900 1034962963 /nfs/dbraw/zinc/96/29/63/1034962963.db2.gz GRAHLBZCZIAGSG-VQTJNVASSA-N 2 1 330.516 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000548931900 1034962972 /nfs/dbraw/zinc/96/29/72/1034962972.db2.gz GRAHLBZCZIAGSG-VQTJNVASSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000065976467 1035046425 /nfs/dbraw/zinc/04/64/25/1035046425.db2.gz YLWUILNBEANSLP-UHFFFAOYSA-N 2 1 328.504 3.837 20 0 EHADMP COc1ccc(OC)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000065976602 1035046599 /nfs/dbraw/zinc/04/65/99/1035046599.db2.gz LQHGJVFHRBVOKW-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695300 1035117415 /nfs/dbraw/zinc/11/74/15/1035117415.db2.gz RHZJBUUPZMMPMT-OALUTQOASA-N 2 1 330.516 3.834 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695300 1035117419 /nfs/dbraw/zinc/11/74/19/1035117419.db2.gz RHZJBUUPZMMPMT-OALUTQOASA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000685834645 1035369331 /nfs/dbraw/zinc/36/93/31/1035369331.db2.gz UZCNJDJWIUXZKD-UHFFFAOYSA-N 2 1 344.421 3.963 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000685834645 1035369334 /nfs/dbraw/zinc/36/93/34/1035369334.db2.gz UZCNJDJWIUXZKD-UHFFFAOYSA-N 2 1 344.421 3.963 20 0 EHADMP COc1ccc([C@H](C)NCc2ccc(-n3ccnc3)cc2)c(F)c1 ZINC000177805159 1035398799 /nfs/dbraw/zinc/39/87/99/1035398799.db2.gz TXVVYJUSIQFLLK-AWEZNQCLSA-N 2 1 325.387 3.871 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000310279902 1035473956 /nfs/dbraw/zinc/47/39/56/1035473956.db2.gz KRCTVWUGAHREPV-RTBURBONSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1ccc(OCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492330309 1035626291 /nfs/dbraw/zinc/62/62/91/1035626291.db2.gz OYCQWBTWQMULAV-TZIWHRDSSA-N 2 1 338.495 3.874 20 0 EHADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)[C@@H]1CC1(C)C ZINC000414131857 1035689488 /nfs/dbraw/zinc/68/94/88/1035689488.db2.gz YKPVGKMIXGHMRP-ZWKOTPCHSA-N 2 1 333.520 3.918 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000187281675 1035802819 /nfs/dbraw/zinc/80/28/19/1035802819.db2.gz JKMGCKXITHJBME-VQTJNVASSA-N 2 1 339.483 3.720 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000613435612 1035861229 /nfs/dbraw/zinc/86/12/29/1035861229.db2.gz BKZTVZZQLIBVEA-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000535083095 1035974408 /nfs/dbraw/zinc/97/44/08/1035974408.db2.gz JUAKNYVRPAZICB-UHFFFAOYSA-N 2 1 330.516 3.952 20 0 EHADMP CCc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000535085081 1035981385 /nfs/dbraw/zinc/98/13/85/1035981385.db2.gz IKTSWZPUJAADLA-IYBDPMFKSA-N 2 1 336.545 3.632 20 0 EHADMP COc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1 ZINC000190957235 1036310220 /nfs/dbraw/zinc/31/02/20/1036310220.db2.gz BUMSWEUSQIMGGG-UHFFFAOYSA-N 2 1 339.483 3.612 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)CC1CCCC1 ZINC000191034633 1036328969 /nfs/dbraw/zinc/32/89/69/1036328969.db2.gz IJLDECISNLYHJN-OAQYLSRUSA-N 2 1 345.531 3.561 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892585214 1036331998 /nfs/dbraw/zinc/33/19/98/1036331998.db2.gz RJBFHTGXBVNODE-CYBMUJFWSA-N 2 1 349.466 3.850 20 0 EHADMP Brc1cccc(C[N@@H+](CCn2ccnc2)CC2CC2)c1 ZINC000191452595 1036386142 /nfs/dbraw/zinc/38/61/42/1036386142.db2.gz AUKVJYKPNKSPNF-UHFFFAOYSA-N 2 1 334.261 3.558 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccnn1-c1ccccc1 ZINC000281754512 1036557733 /nfs/dbraw/zinc/55/77/33/1036557733.db2.gz WCNJVQANPRZXIJ-QGZVFWFLSA-N 2 1 338.499 3.930 20 0 EHADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398206158 1036572975 /nfs/dbraw/zinc/57/29/75/1036572975.db2.gz QSIJUIIPHBWPNE-XMSQKQJNSA-N 2 1 338.495 3.833 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc(F)cc2C)CC1 ZINC000892606164 1036579254 /nfs/dbraw/zinc/57/92/54/1036579254.db2.gz GIGFQMDIDYSRBL-UHFFFAOYSA-N 2 1 327.447 3.592 20 0 EHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000653279646 1036600833 /nfs/dbraw/zinc/60/08/33/1036600833.db2.gz XYXKYJROEVMDER-KXBFYZLASA-N 2 1 328.431 3.716 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC000295459659 1036632735 /nfs/dbraw/zinc/63/27/35/1036632735.db2.gz FLQATVANHAGZLY-WAAKLRNESA-N 2 1 329.307 3.786 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC000295459659 1036632745 /nfs/dbraw/zinc/63/27/45/1036632745.db2.gz FLQATVANHAGZLY-WAAKLRNESA-N 2 1 329.307 3.786 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000310913540 1036718077 /nfs/dbraw/zinc/71/80/77/1036718077.db2.gz PPYCHXSMFZTARP-XWSHUIEDSA-N 2 1 342.527 3.692 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000386233272 1036810813 /nfs/dbraw/zinc/81/08/13/1036810813.db2.gz AQXVFNZKDYVSHJ-IBGZPJMESA-N 2 1 331.463 3.981 20 0 EHADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846451 1036892391 /nfs/dbraw/zinc/89/23/91/1036892391.db2.gz JNNSKMYJIMEPNG-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846451 1036892411 /nfs/dbraw/zinc/89/24/11/1036892411.db2.gz JNNSKMYJIMEPNG-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846451 1036892432 /nfs/dbraw/zinc/89/24/32/1036892432.db2.gz JNNSKMYJIMEPNG-IBGZPJMESA-N 2 1 342.458 3.658 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4COc5ccccc54)[C@@H]3C2)cc1 ZINC000311835884 1037044959 /nfs/dbraw/zinc/04/49/59/1037044959.db2.gz PTGNTMFWURDLBQ-PSBKLILYSA-N 2 1 348.490 3.663 20 0 EHADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000647543803 1037093060 /nfs/dbraw/zinc/09/30/60/1037093060.db2.gz SHJDGUSUQSBJCC-HZPDHXFCSA-N 2 1 328.456 3.653 20 0 EHADMP Brc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543609 1037093939 /nfs/dbraw/zinc/09/39/39/1037093939.db2.gz QHLBLRNNXGZTGB-KBPBESRZSA-N 2 1 343.334 3.722 20 0 EHADMP FC(F)Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545675 1037116460 /nfs/dbraw/zinc/11/64/60/1037116460.db2.gz BPQMESXPUGYHEM-QWHCGFSZSA-N 2 1 344.833 3.763 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168458708 1037169171 /nfs/dbraw/zinc/16/91/71/1037169171.db2.gz ILXQOTKSDAZYHQ-INIZCTEOSA-N 2 1 327.447 3.719 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277886 1037235391 /nfs/dbraw/zinc/23/53/91/1037235391.db2.gz CVCGXJRAXGRCGP-ROUUACIJSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277886 1037235414 /nfs/dbraw/zinc/23/54/14/1037235414.db2.gz CVCGXJRAXGRCGP-ROUUACIJSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277886 1037235432 /nfs/dbraw/zinc/23/54/32/1037235432.db2.gz CVCGXJRAXGRCGP-ROUUACIJSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277886 1037235451 /nfs/dbraw/zinc/23/54/51/1037235451.db2.gz CVCGXJRAXGRCGP-ROUUACIJSA-N 2 1 338.536 3.695 20 0 EHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000542280602 1037242728 /nfs/dbraw/zinc/24/27/28/1037242728.db2.gz ZOIDTKORPOMZDR-DENIHFKCSA-N 2 1 343.559 3.971 20 0 EHADMP CC(C)C1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000462672453 1037284893 /nfs/dbraw/zinc/28/48/93/1037284893.db2.gz DDPZHVYQZFEDMT-UHFFFAOYSA-N 2 1 330.516 3.823 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442186 1037294288 /nfs/dbraw/zinc/29/42/88/1037294288.db2.gz FVSNMRFFLGXPRL-JKSUJKDBSA-N 2 1 349.569 3.757 20 0 EHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1F ZINC000532441701 1037294657 /nfs/dbraw/zinc/29/46/57/1037294657.db2.gz BDFNMVXFFNAWCT-MAUKXSAKSA-N 2 1 347.503 3.527 20 0 EHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000532450013 1037318903 /nfs/dbraw/zinc/31/89/03/1037318903.db2.gz BRMAYXVXGRZLEI-DENIHFKCSA-N 2 1 337.511 3.716 20 0 EHADMP c1cc2c(cccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000171128863 1037464263 /nfs/dbraw/zinc/46/42/63/1037464263.db2.gz ZLERKCUHYQHHJO-UHFFFAOYSA-N 2 1 333.479 3.965 20 0 EHADMP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328383 1037469481 /nfs/dbraw/zinc/46/94/81/1037469481.db2.gz KNWQDQRNHBQNCF-HZPDHXFCSA-N 2 1 345.874 3.817 20 0 EHADMP CC(C)c1cc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000540286457 1037782983 /nfs/dbraw/zinc/78/29/83/1037782983.db2.gz AWQWFQRUSKFGGH-ZACQAIPSSA-N 2 1 345.535 3.508 20 0 EHADMP CC[NH2+]CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000573911840 1037799508 /nfs/dbraw/zinc/79/95/08/1037799508.db2.gz SHMQRJOQZPYLQU-OAHLLOKOSA-N 2 1 329.257 3.629 20 0 EHADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463137861 1037801473 /nfs/dbraw/zinc/80/14/73/1037801473.db2.gz UIKXHXKOFMFLCX-FPOVZHCZSA-N 2 1 343.559 3.894 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183146987 1037932082 /nfs/dbraw/zinc/93/20/82/1037932082.db2.gz GRAURUWPANCTCH-RYFAJOAYSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463250664 1037938717 /nfs/dbraw/zinc/93/87/17/1037938717.db2.gz NITCXCYERHAGFI-UBHSMVFVSA-N 2 1 341.543 3.646 20 0 EHADMP CCC(CC)[N@@H+]([C@@H]1Cc2ccc(OC)cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168250842 1038140674 /nfs/dbraw/zinc/14/06/74/1038140674.db2.gz CXEVLFZNNFUJPO-MISYRCLQSA-N 2 1 330.516 3.923 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001168252275 1038188561 /nfs/dbraw/zinc/18/85/61/1038188561.db2.gz KBHNEBGEZCFDED-UHFFFAOYSA-N 2 1 332.532 3.874 20 0 EHADMP COc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538796638 1038532461 /nfs/dbraw/zinc/53/24/61/1038532461.db2.gz OEGULMABQMNXPH-BLLLJJGKSA-N 2 1 343.298 3.918 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cn(C)cn1 ZINC000924674214 1038559622 /nfs/dbraw/zinc/55/96/22/1038559622.db2.gz ZODAAONNKPIHPP-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cn(C)cn1 ZINC000924674214 1038559625 /nfs/dbraw/zinc/55/96/25/1038559625.db2.gz ZODAAONNKPIHPP-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924682217 1038664756 /nfs/dbraw/zinc/66/47/56/1038664756.db2.gz BDVWOPHASWLFTA-KSZLIROESA-N 2 1 332.536 3.628 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC000539073763 1038671501 /nfs/dbraw/zinc/67/15/01/1038671501.db2.gz YJOVMAMEECYBQA-KOUHRCEDSA-N 2 1 330.516 3.802 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000479862071 1038834353 /nfs/dbraw/zinc/83/43/53/1038834353.db2.gz CDUMFWNUMJQQSL-QFBILLFUSA-N 2 1 338.923 3.609 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000552042370 1038908851 /nfs/dbraw/zinc/90/88/51/1038908851.db2.gz BBUQDNMOMPPLGV-JOIYNNFJSA-N 2 1 342.527 3.900 20 0 EHADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480019629 1039042606 /nfs/dbraw/zinc/04/26/06/1039042606.db2.gz SSUJIHULDSGQQH-MRXNPFEDSA-N 2 1 335.373 3.517 20 0 EHADMP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)CC1CC[NH+](C)CC1 ZINC000667597298 1039055443 /nfs/dbraw/zinc/05/54/43/1039055443.db2.gz IULSWSDUDLSPBQ-UHFFFAOYSA-N 2 1 343.446 3.787 20 0 EHADMP c1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000898517951 1039186157 /nfs/dbraw/zinc/18/61/57/1039186157.db2.gz DQBKDBWOUJHOCZ-SQNIBIBYSA-N 2 1 327.497 3.533 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000432790422 1039195187 /nfs/dbraw/zinc/19/51/87/1039195187.db2.gz WUIOLTZITILEDX-MRXNPFEDSA-N 2 1 326.431 3.821 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000432790422 1039195201 /nfs/dbraw/zinc/19/52/01/1039195201.db2.gz WUIOLTZITILEDX-MRXNPFEDSA-N 2 1 326.431 3.821 20 0 EHADMP c1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000898523056 1039200524 /nfs/dbraw/zinc/20/05/24/1039200524.db2.gz XYLNGSXZLPXAQC-FGTMMUONSA-N 2 1 327.497 3.533 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000552318916 1039203843 /nfs/dbraw/zinc/20/38/43/1039203843.db2.gz ARASJHOKZACSST-ZMYBRWDISA-N 2 1 336.907 3.880 20 0 EHADMP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480233966 1039335708 /nfs/dbraw/zinc/33/57/08/1039335708.db2.gz VSUFZMGEXLIBHT-UEXGIBASSA-N 2 1 348.531 3.591 20 0 EHADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000237565990 1039388981 /nfs/dbraw/zinc/38/89/81/1039388981.db2.gz OGERHJFDQHLXLF-YJBOKZPZSA-N 2 1 328.456 3.633 20 0 EHADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658567 1039416211 /nfs/dbraw/zinc/41/62/11/1039416211.db2.gz JSFAAAAPCCHWNU-AZUAARDMSA-N 2 1 346.515 3.551 20 0 EHADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658567 1039416220 /nfs/dbraw/zinc/41/62/20/1039416220.db2.gz JSFAAAAPCCHWNU-AZUAARDMSA-N 2 1 346.515 3.551 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584719612 1039622805 /nfs/dbraw/zinc/62/28/05/1039622805.db2.gz KGZBWDARPVKRGB-IBGZPJMESA-N 2 1 330.516 3.572 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584719612 1039622813 /nfs/dbraw/zinc/62/28/13/1039622813.db2.gz KGZBWDARPVKRGB-IBGZPJMESA-N 2 1 330.516 3.572 20 0 EHADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480539624 1039660543 /nfs/dbraw/zinc/66/05/43/1039660543.db2.gz VCKBJPZYYCBYHK-BVSLBCMMSA-N 2 1 343.559 3.607 20 0 EHADMP Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000549687441 1039681221 /nfs/dbraw/zinc/68/12/21/1039681221.db2.gz JNZCEJTYCHLQGX-UHFFFAOYSA-N 2 1 344.886 3.770 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCOC1 ZINC000480601123 1039734723 /nfs/dbraw/zinc/73/47/23/1039734723.db2.gz NPEIEGRAHJBRER-UIFIKXQLSA-N 2 1 330.516 3.966 20 0 EHADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554841686 1039824669 /nfs/dbraw/zinc/82/46/69/1039824669.db2.gz MWSXEJWAVMOJAC-HXUWFJFHSA-N 3 1 331.548 3.609 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000554841686 1039824693 /nfs/dbraw/zinc/82/46/93/1039824693.db2.gz MWSXEJWAVMOJAC-HXUWFJFHSA-N 3 1 331.548 3.609 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000645813208 1039920106 /nfs/dbraw/zinc/92/01/06/1039920106.db2.gz ZKYPHJSDSABNFC-GIVPXCGWSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000645813208 1039920122 /nfs/dbraw/zinc/92/01/22/1039920122.db2.gz ZKYPHJSDSABNFC-GIVPXCGWSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000645813208 1039920135 /nfs/dbraw/zinc/92/01/35/1039920135.db2.gz ZKYPHJSDSABNFC-GIVPXCGWSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[C@H]2CCOC2)CC[NH+]1Cc1ccccc1 ZINC000645813208 1039920149 /nfs/dbraw/zinc/92/01/49/1039920149.db2.gz ZKYPHJSDSABNFC-GIVPXCGWSA-N 2 1 330.516 3.788 20 0 EHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480746558 1039983888 /nfs/dbraw/zinc/98/38/88/1039983888.db2.gz ROQYZJJJJUJVGP-XMSQKQJNSA-N 2 1 338.495 3.738 20 0 EHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480746558 1039983896 /nfs/dbraw/zinc/98/38/96/1039983896.db2.gz ROQYZJJJJUJVGP-XMSQKQJNSA-N 2 1 338.495 3.738 20 0 EHADMP CCn1cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c(-c2ccccc2)n1 ZINC000894057922 1040023622 /nfs/dbraw/zinc/02/36/22/1040023622.db2.gz PCVWDQJGJADPIP-GOSISDBHSA-N 2 1 340.515 3.734 20 0 EHADMP CCn1cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c(-c2ccccc2)n1 ZINC000894057922 1040023643 /nfs/dbraw/zinc/02/36/43/1040023643.db2.gz PCVWDQJGJADPIP-GOSISDBHSA-N 2 1 340.515 3.734 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000417886674 1040287873 /nfs/dbraw/zinc/28/78/73/1040287873.db2.gz YGMGMMBZWINSPD-QGZVFWFLSA-N 2 1 326.488 3.567 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039489 1040307143 /nfs/dbraw/zinc/30/71/43/1040307143.db2.gz RMSPVBPBSFOILH-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039489 1040307151 /nfs/dbraw/zinc/30/71/51/1040307151.db2.gz RMSPVBPBSFOILH-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000481174420 1040457533 /nfs/dbraw/zinc/45/75/33/1040457533.db2.gz KTDDBKBAKIUYEJ-IEBWSBKVSA-N 2 1 346.515 3.609 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000481174420 1040457545 /nfs/dbraw/zinc/45/75/45/1040457545.db2.gz KTDDBKBAKIUYEJ-IEBWSBKVSA-N 2 1 346.515 3.609 20 0 EHADMP Cc1[nH+]c2ccccc2c(N2CCC([N@H+]3CCCOCC3)CC2)c1C ZINC000664012129 1040792951 /nfs/dbraw/zinc/79/29/51/1040792951.db2.gz VSZRAKFWVPNVHA-UHFFFAOYSA-N 2 1 339.483 3.543 20 0 EHADMP COCCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925664401 1040823233 /nfs/dbraw/zinc/82/32/33/1040823233.db2.gz DIFRLPMRGIMBGY-FUHWJXTLSA-N 2 1 336.907 3.724 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001167753951 1040868496 /nfs/dbraw/zinc/86/84/96/1040868496.db2.gz NIAIWCWGQDVQNO-AWEZNQCLSA-N 2 1 325.447 3.703 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001167753951 1040868507 /nfs/dbraw/zinc/86/85/07/1040868507.db2.gz NIAIWCWGQDVQNO-AWEZNQCLSA-N 2 1 325.447 3.703 20 0 EHADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561869 1040920090 /nfs/dbraw/zinc/92/00/90/1040920090.db2.gz LAKFVZCQMWYJFU-SJORKVTESA-N 2 1 328.422 3.844 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561869 1040920109 /nfs/dbraw/zinc/92/01/09/1040920109.db2.gz LAKFVZCQMWYJFU-SJORKVTESA-N 2 1 328.422 3.844 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000555619508 1040926226 /nfs/dbraw/zinc/92/62/26/1040926226.db2.gz SZYOUYQSDZNWEF-COPCDDAFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000555619508 1040926245 /nfs/dbraw/zinc/92/62/45/1040926245.db2.gz SZYOUYQSDZNWEF-COPCDDAFSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)OCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433176640 1040981241 /nfs/dbraw/zinc/98/12/41/1040981241.db2.gz RAYYJIBZSFCYFV-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP CCc1cccc2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)oc21 ZINC000668787153 1041005505 /nfs/dbraw/zinc/00/55/05/1041005505.db2.gz OILZYIKDJWNBPM-SFHVURJKSA-N 2 1 330.472 3.538 20 0 EHADMP CCc1cccc2cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)oc21 ZINC000668787153 1041005516 /nfs/dbraw/zinc/00/55/16/1041005516.db2.gz OILZYIKDJWNBPM-SFHVURJKSA-N 2 1 330.472 3.538 20 0 EHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000390562754 1041014017 /nfs/dbraw/zinc/01/40/17/1041014017.db2.gz MUKYUYPSBCWHKR-WNTWWTRPSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)[nH+]1 ZINC000512827813 1041048457 /nfs/dbraw/zinc/04/84/57/1041048457.db2.gz LJYVOIUQWXSNDV-LKIHTYOGSA-N 2 1 325.431 3.976 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)[nH+]1 ZINC000512827813 1041048472 /nfs/dbraw/zinc/04/84/72/1041048472.db2.gz LJYVOIUQWXSNDV-LKIHTYOGSA-N 2 1 325.431 3.976 20 0 EHADMP COc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1F ZINC000192664124 1041051044 /nfs/dbraw/zinc/05/10/44/1041051044.db2.gz OHRXDSFMMPGEPQ-UHFFFAOYSA-N 2 1 328.431 3.720 20 0 EHADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1Cl ZINC001212145395 1041167207 /nfs/dbraw/zinc/16/72/07/1041167207.db2.gz SCDDSIOMQGEAEK-AWEZNQCLSA-N 2 1 336.867 3.867 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060492 1041229433 /nfs/dbraw/zinc/22/94/33/1041229433.db2.gz FTGFAIJRANQTKO-QZTJIDSGSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060492 1041229452 /nfs/dbraw/zinc/22/94/52/1041229452.db2.gz FTGFAIJRANQTKO-QZTJIDSGSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060492 1041229471 /nfs/dbraw/zinc/22/94/71/1041229471.db2.gz FTGFAIJRANQTKO-QZTJIDSGSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176618 1041302263 /nfs/dbraw/zinc/30/22/63/1041302263.db2.gz AIJKWSHULADKJQ-WIYYLYMNSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000164176618 1041302275 /nfs/dbraw/zinc/30/22/75/1041302275.db2.gz AIJKWSHULADKJQ-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000164176618 1041302285 /nfs/dbraw/zinc/30/22/85/1041302285.db2.gz AIJKWSHULADKJQ-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000164176618 1041302301 /nfs/dbraw/zinc/30/23/01/1041302301.db2.gz AIJKWSHULADKJQ-WIYYLYMNSA-N 2 1 329.532 3.635 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000388523150 1041387510 /nfs/dbraw/zinc/38/75/10/1041387510.db2.gz ANMXAUBTFWFUJH-RWMBFGLXSA-N 2 1 329.307 3.521 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000511786925 1041613717 /nfs/dbraw/zinc/61/37/17/1041613717.db2.gz OQLIVDMPPILVRC-CTYIDZIISA-N 2 1 335.904 3.894 20 0 EHADMP COc1cccc(CCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660680385 1041767750 /nfs/dbraw/zinc/76/77/50/1041767750.db2.gz XSCZPGHKIAMFEM-UHFFFAOYSA-N 2 1 338.495 3.882 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660853832 1041845613 /nfs/dbraw/zinc/84/56/13/1041845613.db2.gz ISSVYKDTSMWPLS-GOSISDBHSA-N 2 1 340.515 3.692 20 0 EHADMP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652208335 1042270916 /nfs/dbraw/zinc/27/09/16/1042270916.db2.gz BDZYOOVPSQARID-UWJYYQICSA-N 2 1 339.483 3.501 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473148055 1042344795 /nfs/dbraw/zinc/34/47/95/1042344795.db2.gz YVAFNMYOURQDDA-LJQANCHMSA-N 2 1 343.515 3.717 20 0 EHADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC000662150657 1042546357 /nfs/dbraw/zinc/54/63/57/1042546357.db2.gz ZKEGEOXTUCQLKT-KRWDZBQOSA-N 2 1 344.886 3.524 20 0 EHADMP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253403 1042636544 /nfs/dbraw/zinc/63/65/44/1042636544.db2.gz USYVSUJFBLDMJX-SJLPKXTDSA-N 2 1 342.508 3.832 20 0 EHADMP c1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)noc1-c1ccccc1 ZINC000662291915 1042662473 /nfs/dbraw/zinc/66/24/73/1042662473.db2.gz ARMWRBACDKHCSY-GOSISDBHSA-N 2 1 325.456 3.553 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326919 1042689616 /nfs/dbraw/zinc/68/96/16/1042689616.db2.gz AQPWSTWGOOBIIY-INIZCTEOSA-N 2 1 338.499 3.817 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc4c3C[NH2+]C4)cc2)C1 ZINC000662386676 1042698980 /nfs/dbraw/zinc/69/89/80/1042698980.db2.gz DKURLQCBRDSTEE-MRXNPFEDSA-N 2 1 349.478 3.774 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345934 1042730968 /nfs/dbraw/zinc/73/09/68/1042730968.db2.gz PDUNELPKPHUCSH-GOSISDBHSA-N 2 1 338.499 3.597 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000663347175 1042732511 /nfs/dbraw/zinc/73/25/11/1042732511.db2.gz ZYPMEQWVQDHWHU-UZKOGDIHSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347175 1042732516 /nfs/dbraw/zinc/73/25/16/1042732516.db2.gz ZYPMEQWVQDHWHU-UZKOGDIHSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347175 1042732523 /nfs/dbraw/zinc/73/25/23/1042732523.db2.gz ZYPMEQWVQDHWHU-UZKOGDIHSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347175 1042732528 /nfs/dbraw/zinc/73/25/28/1042732528.db2.gz ZYPMEQWVQDHWHU-UZKOGDIHSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347175 1042732535 /nfs/dbraw/zinc/73/25/35/1042732535.db2.gz ZYPMEQWVQDHWHU-UZKOGDIHSA-N 2 1 341.543 3.534 20 0 EHADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OCC ZINC000663347439 1042737919 /nfs/dbraw/zinc/73/79/19/1042737919.db2.gz KMMUJRSQJXGDCP-IBGZPJMESA-N 2 1 346.515 3.696 20 0 EHADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000188673693 1042751589 /nfs/dbraw/zinc/75/15/89/1042751589.db2.gz AVXUMKNTSQEYSB-NRFANRHFSA-N 2 1 330.516 3.572 20 0 EHADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165338246 1042779816 /nfs/dbraw/zinc/77/98/16/1042779816.db2.gz HRIIOMSASJDHCS-ICSRJNTNSA-N 2 1 340.515 3.679 20 0 EHADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165338246 1042779821 /nfs/dbraw/zinc/77/98/21/1042779821.db2.gz HRIIOMSASJDHCS-ICSRJNTNSA-N 2 1 340.515 3.679 20 0 EHADMP CC1(C)CC([NH2+]C2CCN(CCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000121718551 1042808798 /nfs/dbraw/zinc/80/87/98/1042808798.db2.gz IRAOZGLSVHYERV-UHFFFAOYSA-N 2 1 343.559 3.592 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663465137 1042884668 /nfs/dbraw/zinc/88/46/68/1042884668.db2.gz IDQAEKWCOKAPFR-UKRRQHHQSA-N 2 1 337.895 3.516 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663465137 1042884673 /nfs/dbraw/zinc/88/46/73/1042884673.db2.gz IDQAEKWCOKAPFR-UKRRQHHQSA-N 2 1 337.895 3.516 20 0 EHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470238 1042898794 /nfs/dbraw/zinc/89/87/94/1042898794.db2.gz UCDCZEOOPNRARD-UYAOXDASSA-N 2 1 328.500 3.920 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663470658 1042900972 /nfs/dbraw/zinc/90/09/72/1042900972.db2.gz WBALJLKKFRWUIO-SIKLNZKXSA-N 2 1 342.527 3.728 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000453056995 1042947499 /nfs/dbraw/zinc/94/74/99/1042947499.db2.gz DASNQUTYYWWDDD-VQTJNVASSA-N 2 1 328.500 3.507 20 0 EHADMP C[C@@H]1C[N@@H+](CCCNCc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432343759 1042977786 /nfs/dbraw/zinc/97/77/86/1042977786.db2.gz ADIVVCXSEQYYBU-CYBMUJFWSA-N 2 1 331.287 3.584 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432343759 1042977792 /nfs/dbraw/zinc/97/77/92/1042977792.db2.gz ADIVVCXSEQYYBU-CYBMUJFWSA-N 2 1 331.287 3.584 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001167834433 1043020575 /nfs/dbraw/zinc/02/05/75/1043020575.db2.gz JTMMHCZERQWLOA-JKSUJKDBSA-N 2 1 328.497 3.523 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404094 1043099157 /nfs/dbraw/zinc/09/91/57/1043099157.db2.gz CUDPNONUSMIQQQ-ROUUACIJSA-N 2 1 330.516 3.717 20 0 EHADMP CCCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432424266 1043166072 /nfs/dbraw/zinc/16/60/72/1043166072.db2.gz NRBCPJJFCLNUSF-MSOLQXFVSA-N 2 1 334.504 3.627 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)sc2C1 ZINC000344195927 1043397223 /nfs/dbraw/zinc/39/72/23/1043397223.db2.gz JZFSNLKKUOIWFT-BZUAXINKSA-N 2 1 333.545 3.968 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)sc2C1 ZINC000344195927 1043397232 /nfs/dbraw/zinc/39/72/32/1043397232.db2.gz JZFSNLKKUOIWFT-BZUAXINKSA-N 2 1 333.545 3.968 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(Cl)o3)CC2)oc1C ZINC000344240029 1043504939 /nfs/dbraw/zinc/50/49/39/1043504939.db2.gz OEXQNCKQTRKJGD-UHFFFAOYSA-N 2 1 337.851 3.540 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3N(C)C)C2)CC1 ZINC000512169794 1043572619 /nfs/dbraw/zinc/57/26/19/1043572619.db2.gz PZIVNKJYPVXFCT-LJQANCHMSA-N 2 1 329.532 3.697 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3N(C)C)C2)CC1 ZINC000512169794 1043572625 /nfs/dbraw/zinc/57/26/25/1043572625.db2.gz PZIVNKJYPVXFCT-LJQANCHMSA-N 2 1 329.532 3.697 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310513337 1043621072 /nfs/dbraw/zinc/62/10/72/1043621072.db2.gz KMERIUGAJZLVRI-PMACEKPBSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000512176673 1043647680 /nfs/dbraw/zinc/64/76/80/1043647680.db2.gz DJYSTOOWZGRXID-FEFURNDJSA-N 2 1 346.490 3.660 20 0 EHADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040967 1043864941 /nfs/dbraw/zinc/86/49/41/1043864941.db2.gz KMTCTHMKZFITBY-MAZHCROVSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040967 1043864961 /nfs/dbraw/zinc/86/49/61/1043864961.db2.gz KMTCTHMKZFITBY-MAZHCROVSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040967 1043864982 /nfs/dbraw/zinc/86/49/82/1043864982.db2.gz KMTCTHMKZFITBY-MAZHCROVSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040967 1043864998 /nfs/dbraw/zinc/86/49/98/1043864998.db2.gz KMTCTHMKZFITBY-MAZHCROVSA-N 2 1 328.378 3.863 20 0 EHADMP CN(C)c1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254654 1044413064 /nfs/dbraw/zinc/41/30/64/1044413064.db2.gz XMFLYKHEZZBFGP-HSZRJFAPSA-N 2 1 349.522 3.851 20 0 EHADMP CN(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512254654 1044413073 /nfs/dbraw/zinc/41/30/73/1044413073.db2.gz XMFLYKHEZZBFGP-HSZRJFAPSA-N 2 1 349.522 3.851 20 0 EHADMP CN(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512254654 1044413082 /nfs/dbraw/zinc/41/30/82/1044413082.db2.gz XMFLYKHEZZBFGP-HSZRJFAPSA-N 2 1 349.522 3.851 20 0 EHADMP COC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000319089076 1044447281 /nfs/dbraw/zinc/44/72/81/1044447281.db2.gz UHSMEWWSPDOCLZ-FQEVSTJZSA-N 2 1 330.516 3.838 20 0 EHADMP C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573302 1044476557 /nfs/dbraw/zinc/47/65/57/1044476557.db2.gz MEPBSLVXIBAJDC-KCOOCBJMSA-N 2 1 335.495 3.631 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000261609139 1044641945 /nfs/dbraw/zinc/64/19/45/1044641945.db2.gz BQVHKUIKEBLUAE-HXUWFJFHSA-N 2 1 328.431 3.575 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000307968370 1125677219 /nfs/dbraw/zinc/67/72/19/1125677219.db2.gz VTPDVWRAMVKBRA-OXJNMPFZSA-N 2 1 340.515 3.520 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000154298271 1125709042 /nfs/dbraw/zinc/70/90/42/1125709042.db2.gz RBISRTAIGSPVRT-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000154298271 1125709048 /nfs/dbraw/zinc/70/90/48/1125709048.db2.gz RBISRTAIGSPVRT-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298271 1125709054 /nfs/dbraw/zinc/70/90/54/1125709054.db2.gz RBISRTAIGSPVRT-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298271 1125709058 /nfs/dbraw/zinc/70/90/58/1125709058.db2.gz RBISRTAIGSPVRT-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000155017991 1125775521 /nfs/dbraw/zinc/77/55/21/1125775521.db2.gz OQENWDUSTNXWJC-AVRDEDQJSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000172846568 1126816664 /nfs/dbraw/zinc/81/66/64/1126816664.db2.gz DUKZMLXYNNDNJQ-BXUZGUMPSA-N 2 1 332.822 3.856 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000172846574 1126816873 /nfs/dbraw/zinc/81/68/73/1126816873.db2.gz DUKZMLXYNNDNJQ-SMDDNHRTSA-N 2 1 332.822 3.856 20 0 EHADMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000174400251 1126852356 /nfs/dbraw/zinc/85/23/56/1126852356.db2.gz QLUHAWBYMIUZRQ-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000174400251 1126852360 /nfs/dbraw/zinc/85/23/60/1126852360.db2.gz QLUHAWBYMIUZRQ-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000174400251 1126852363 /nfs/dbraw/zinc/85/23/63/1126852363.db2.gz QLUHAWBYMIUZRQ-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000174400251 1126852365 /nfs/dbraw/zinc/85/23/65/1126852365.db2.gz QLUHAWBYMIUZRQ-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP CCCCCN(C)c1ccc(F)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086234 1126874214 /nfs/dbraw/zinc/87/42/14/1126874214.db2.gz DICNYWGNWXJFFI-UHFFFAOYSA-N 2 1 332.467 3.518 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(OCC(F)(F)F)cc2)CC1(C)C ZINC000623344906 1126923361 /nfs/dbraw/zinc/92/33/61/1126923361.db2.gz ICSNTCRYBRJOLN-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1(C)C ZINC000623344906 1126923363 /nfs/dbraw/zinc/92/33/63/1126923363.db2.gz ICSNTCRYBRJOLN-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623346036 1126923519 /nfs/dbraw/zinc/92/35/19/1126923519.db2.gz BMMMRJZLNJNKMF-OAQYLSRUSA-N 2 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623346036 1126923522 /nfs/dbraw/zinc/92/35/22/1126923522.db2.gz BMMMRJZLNJNKMF-OAQYLSRUSA-N 3 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623346036 1126923524 /nfs/dbraw/zinc/92/35/24/1126923524.db2.gz BMMMRJZLNJNKMF-OAQYLSRUSA-N 3 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623357924 1126929161 /nfs/dbraw/zinc/92/91/61/1126929161.db2.gz GYFYZYIGQVMVBH-OAQYLSRUSA-N 2 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357924 1126929163 /nfs/dbraw/zinc/92/91/63/1126929163.db2.gz GYFYZYIGQVMVBH-OAQYLSRUSA-N 3 1 343.559 3.881 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623357924 1126929164 /nfs/dbraw/zinc/92/91/64/1126929164.db2.gz GYFYZYIGQVMVBH-OAQYLSRUSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623441152 1126956284 /nfs/dbraw/zinc/95/62/84/1126956284.db2.gz FRMFHIKVUBFFHT-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441152 1126956286 /nfs/dbraw/zinc/95/62/86/1126956286.db2.gz FRMFHIKVUBFFHT-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441152 1126956289 /nfs/dbraw/zinc/95/62/89/1126956289.db2.gz FRMFHIKVUBFFHT-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(OCC(F)(F)F)c1 ZINC000623443579 1126957256 /nfs/dbraw/zinc/95/72/56/1126957256.db2.gz FWWOWXYAMRXETO-OAHLLOKOSA-N 2 1 344.421 3.899 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(OCC(F)(F)F)c1 ZINC000623443579 1126957257 /nfs/dbraw/zinc/95/72/57/1126957257.db2.gz FWWOWXYAMRXETO-OAHLLOKOSA-N 2 1 344.421 3.899 20 0 EHADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000623862439 1127200579 /nfs/dbraw/zinc/20/05/79/1127200579.db2.gz UFWWFLSZIDPTLN-OAQYLSRUSA-N 2 1 331.548 3.762 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861046 1127200602 /nfs/dbraw/zinc/20/06/02/1127200602.db2.gz NBQVAYXOIYFWAZ-VXGBXAGGSA-N 2 1 330.369 3.979 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867265 1127206385 /nfs/dbraw/zinc/20/63/85/1127206385.db2.gz VVDRQAORBWECAE-VXGBXAGGSA-N 2 1 349.828 3.616 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000624019600 1127234821 /nfs/dbraw/zinc/23/48/21/1127234821.db2.gz WIUCHWZVNLLQTI-CGTJXYLNSA-N 2 1 332.488 3.589 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000624019600 1127234825 /nfs/dbraw/zinc/23/48/25/1127234825.db2.gz WIUCHWZVNLLQTI-CGTJXYLNSA-N 2 1 332.488 3.589 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000624019603 1127234932 /nfs/dbraw/zinc/23/49/32/1127234932.db2.gz WIUCHWZVNLLQTI-SZMVWBNQSA-N 2 1 332.488 3.589 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000624019603 1127234934 /nfs/dbraw/zinc/23/49/34/1127234934.db2.gz WIUCHWZVNLLQTI-SZMVWBNQSA-N 2 1 332.488 3.589 20 0 EHADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1Br ZINC000624119778 1127255916 /nfs/dbraw/zinc/25/59/16/1127255916.db2.gz JNGUMACGDHFMRC-KBPBESRZSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1Br ZINC000624119778 1127255925 /nfs/dbraw/zinc/25/59/25/1127255925.db2.gz JNGUMACGDHFMRC-KBPBESRZSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1Br ZINC000624119778 1127255927 /nfs/dbraw/zinc/25/59/27/1127255927.db2.gz JNGUMACGDHFMRC-KBPBESRZSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC3 ZINC000624122730 1127256470 /nfs/dbraw/zinc/25/64/70/1127256470.db2.gz ZSTSHYMLVHDMLT-DLBZAZTESA-N 2 1 325.500 3.655 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000624123516 1127256920 /nfs/dbraw/zinc/25/69/20/1127256920.db2.gz NNCMYGNLEQHTGL-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000624123516 1127256923 /nfs/dbraw/zinc/25/69/23/1127256923.db2.gz NNCMYGNLEQHTGL-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP Cc1cnccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354180257 1127273178 /nfs/dbraw/zinc/27/31/78/1127273178.db2.gz QPLDUMTWTLTTKU-FRIKZZABSA-N 2 1 335.495 3.718 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(F)cc(Br)c1 ZINC000181527297 1127281754 /nfs/dbraw/zinc/28/17/54/1127281754.db2.gz UMKUAVWISSOJSQ-WBMJQRKESA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000182430365 1127329150 /nfs/dbraw/zinc/32/91/50/1127329150.db2.gz MQARVOKPGYFUOS-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000182430365 1127329154 /nfs/dbraw/zinc/32/91/54/1127329154.db2.gz MQARVOKPGYFUOS-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H](CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000184504141 1127407013 /nfs/dbraw/zinc/40/70/13/1127407013.db2.gz MXTDPBHAGWCFAG-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@H]1CC[NH3+] ZINC000404409704 1127414908 /nfs/dbraw/zinc/41/49/08/1127414908.db2.gz BUPWSVKNRKEDRA-DYVFJYSZSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@H]1CC[NH3+] ZINC000404409704 1127414910 /nfs/dbraw/zinc/41/49/10/1127414910.db2.gz BUPWSVKNRKEDRA-DYVFJYSZSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737023 1127430663 /nfs/dbraw/zinc/43/06/63/1127430663.db2.gz HWGCIUSKWVFQGC-TZIWHRDSSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000382828800 1127523005 /nfs/dbraw/zinc/52/30/05/1127523005.db2.gz AOIYZZCHUZLPNU-PGRDOPGGSA-N 2 1 338.495 3.738 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292537 1127595247 /nfs/dbraw/zinc/59/52/47/1127595247.db2.gz WAMGDFWLHIMGCH-AEFFLSMTSA-N 2 1 326.488 3.563 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292537 1127595251 /nfs/dbraw/zinc/59/52/51/1127595251.db2.gz WAMGDFWLHIMGCH-AEFFLSMTSA-N 2 1 326.488 3.563 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000765358991 1127601148 /nfs/dbraw/zinc/60/11/48/1127601148.db2.gz JMYRWUOMQKYMSY-UWVAXJGDSA-N 2 1 336.495 3.656 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000921530958 1127675801 /nfs/dbraw/zinc/67/58/01/1127675801.db2.gz ALPLCVCECNFJKR-QGZVFWFLSA-N 2 1 344.478 3.517 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921547357 1127724649 /nfs/dbraw/zinc/72/46/49/1127724649.db2.gz PGWITKCTACAAQZ-SYYKKAFVSA-N 2 1 342.527 3.754 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)[C@@H](C)C1 ZINC000624290035 1127785753 /nfs/dbraw/zinc/78/57/53/1127785753.db2.gz UPPJNGSFKHHAQZ-SJCJKPOMSA-N 2 1 337.870 3.823 20 0 EHADMP CN(C)c1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000671723588 1128132086 /nfs/dbraw/zinc/13/20/86/1128132086.db2.gz XGGLXCJEFUQXSM-HSZRJFAPSA-N 2 1 349.522 3.851 20 0 EHADMP CN(C)c1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000671723588 1128132087 /nfs/dbraw/zinc/13/20/87/1128132087.db2.gz XGGLXCJEFUQXSM-HSZRJFAPSA-N 2 1 349.522 3.851 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749653 1128200584 /nfs/dbraw/zinc/20/05/84/1128200584.db2.gz BPECRQLZYRSWEJ-CQSZACIVSA-N 2 1 343.471 3.981 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000542671967 1128463355 /nfs/dbraw/zinc/46/33/55/1128463355.db2.gz ZEMSHRGNQAGUKF-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000542671967 1128463358 /nfs/dbraw/zinc/46/33/58/1128463358.db2.gz ZEMSHRGNQAGUKF-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623074 1128477582 /nfs/dbraw/zinc/47/75/82/1128477582.db2.gz RDVUBBLAGMVSKK-ZWKOTPCHSA-N 2 1 338.923 3.862 20 0 EHADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623074 1128477583 /nfs/dbraw/zinc/47/75/83/1128477583.db2.gz RDVUBBLAGMVSKK-ZWKOTPCHSA-N 2 1 338.923 3.862 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000542845717 1128686220 /nfs/dbraw/zinc/68/62/20/1128686220.db2.gz HLNICVMIGVYMJS-UIFIKXQLSA-N 2 1 330.516 3.702 20 0 EHADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000172644752 1128763959 /nfs/dbraw/zinc/76/39/59/1128763959.db2.gz JHLAQJDRHVJMRX-HNNXBMFYSA-N 2 1 329.875 3.806 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000172644752 1128763961 /nfs/dbraw/zinc/76/39/61/1128763961.db2.gz JHLAQJDRHVJMRX-HNNXBMFYSA-N 2 1 329.875 3.806 20 0 EHADMP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001648792025 1120032093 /nfs/dbraw/zinc/03/20/93/1120032093.db2.gz FODHFWIAMYBMBF-HNNXBMFYSA-N 2 1 326.488 3.548 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001648817143 1120048530 /nfs/dbraw/zinc/04/85/30/1120048530.db2.gz WMEUKTOWGTWXNP-HNNXBMFYSA-N 2 1 339.474 3.633 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1ccsc1 ZINC000080204134 1120114119 /nfs/dbraw/zinc/11/41/19/1120114119.db2.gz DNUFFAGUVZNITO-SFHVURJKSA-N 2 1 332.513 3.529 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1ccsc1 ZINC000080204134 1120114122 /nfs/dbraw/zinc/11/41/22/1120114122.db2.gz DNUFFAGUVZNITO-SFHVURJKSA-N 2 1 332.513 3.529 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226449287 1120158402 /nfs/dbraw/zinc/15/84/02/1120158402.db2.gz JXLSGSUQZCRFRG-GFCCVEGCSA-N 2 1 331.685 3.676 20 0 EHADMP CSc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441451112 1120273375 /nfs/dbraw/zinc/27/33/75/1120273375.db2.gz MOAWULIVYVIKLR-QGZVFWFLSA-N 2 1 334.529 3.595 20 0 EHADMP CSc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441451112 1120273379 /nfs/dbraw/zinc/27/33/79/1120273379.db2.gz MOAWULIVYVIKLR-QGZVFWFLSA-N 2 1 334.529 3.595 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001648964873 1120283794 /nfs/dbraw/zinc/28/37/94/1120283794.db2.gz FGTROLAUTMKQOI-KRWDZBQOSA-N 2 1 343.902 3.924 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386524 1120671619 /nfs/dbraw/zinc/67/16/19/1120671619.db2.gz VITBRIAYLGBSCV-AEFFLSMTSA-N 2 1 334.552 3.965 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386524 1120671622 /nfs/dbraw/zinc/67/16/22/1120671622.db2.gz VITBRIAYLGBSCV-AEFFLSMTSA-N 2 1 334.552 3.965 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494606382 1120685136 /nfs/dbraw/zinc/68/51/36/1120685136.db2.gz YHBUOTOCZCWQRJ-UHFFFAOYSA-N 2 1 339.414 3.736 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194027358 1120817485 /nfs/dbraw/zinc/81/74/85/1120817485.db2.gz SDVFECCXPKVTHJ-HSALFYBXSA-N 2 1 328.500 3.576 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300530279 1121029131 /nfs/dbraw/zinc/02/91/31/1121029131.db2.gz OMGZMEXTFNTWCX-GDBMZVCRSA-N 2 1 339.321 3.700 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000233503824 1121247722 /nfs/dbraw/zinc/24/77/22/1121247722.db2.gz DTZYAVCRRNQQMV-UHFFFAOYSA-N 2 1 345.712 3.924 20 0 EHADMP O[C@H]1CCCC[C@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311033882 1128977092 /nfs/dbraw/zinc/97/70/92/1128977092.db2.gz TXBNOUIDIVEWRH-SFTDATJTSA-N 2 1 342.527 3.526 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653159 1128988274 /nfs/dbraw/zinc/98/82/74/1128988274.db2.gz ACIQNZGVPWOMGA-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921981908 1128996313 /nfs/dbraw/zinc/99/63/13/1128996313.db2.gz YSOGAZZQCXDXIH-AEFFLSMTSA-N 2 1 327.516 3.703 20 0 EHADMP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921981908 1128996315 /nfs/dbraw/zinc/99/63/15/1128996315.db2.gz YSOGAZZQCXDXIH-AEFFLSMTSA-N 2 1 327.516 3.703 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000397314517 1121706193 /nfs/dbraw/zinc/70/61/93/1121706193.db2.gz KRXMUXSYVYLCLQ-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000397314517 1121706201 /nfs/dbraw/zinc/70/62/01/1121706201.db2.gz KRXMUXSYVYLCLQ-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000397319165 1121706387 /nfs/dbraw/zinc/70/63/87/1121706387.db2.gz MLKQTZNRSMXYRP-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000397319165 1121706391 /nfs/dbraw/zinc/70/63/91/1121706391.db2.gz MLKQTZNRSMXYRP-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398022644 1121960537 /nfs/dbraw/zinc/96/05/37/1121960537.db2.gz AUWCZZPQLCMDEH-PGRDOPGGSA-N 2 1 338.495 3.833 20 0 EHADMP Cc1ccccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069833292 1122842909 /nfs/dbraw/zinc/84/29/09/1122842909.db2.gz BWGSTDQINYXTHW-KDURUIRLSA-N 2 1 338.495 3.894 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000556205745 1122870432 /nfs/dbraw/zinc/87/04/32/1122870432.db2.gz MMYYAPFLUDUMSD-LJQANCHMSA-N 2 1 348.494 3.845 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3cccc(F)c3)C2)CC1 ZINC000498821540 1123077315 /nfs/dbraw/zinc/07/73/15/1123077315.db2.gz JMIAFNNYKKRBGX-SFHVURJKSA-N 2 1 334.479 3.648 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3cccc(F)c3)C2)CC1 ZINC000498821540 1123077321 /nfs/dbraw/zinc/07/73/21/1123077321.db2.gz JMIAFNNYKKRBGX-SFHVURJKSA-N 2 1 334.479 3.648 20 0 EHADMP CCc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215063 1123096706 /nfs/dbraw/zinc/09/67/06/1123096706.db2.gz HEPPCAOQSHEHGK-HZPDHXFCSA-N 2 1 325.294 3.713 20 0 EHADMP CCc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215063 1123096710 /nfs/dbraw/zinc/09/67/10/1123096710.db2.gz HEPPCAOQSHEHGK-HZPDHXFCSA-N 2 1 325.294 3.713 20 0 EHADMP CC(C)(C)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556936024 1123225046 /nfs/dbraw/zinc/22/50/46/1123225046.db2.gz JVNGCQXESRMDMH-HXUWFJFHSA-N 2 1 344.543 3.941 20 0 EHADMP Cc1nccn1C[C@H](C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080208540 1123746347 /nfs/dbraw/zinc/74/63/47/1123746347.db2.gz VRPZCIRDAUJLBT-GOSISDBHSA-N 2 1 342.531 3.575 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516097 1123827476 /nfs/dbraw/zinc/82/74/76/1123827476.db2.gz MPRPQSGJPUBKGR-OAHLLOKOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516097 1123827482 /nfs/dbraw/zinc/82/74/82/1123827482.db2.gz MPRPQSGJPUBKGR-OAHLLOKOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516097 1123827487 /nfs/dbraw/zinc/82/74/87/1123827487.db2.gz MPRPQSGJPUBKGR-OAHLLOKOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516097 1123827491 /nfs/dbraw/zinc/82/74/91/1123827491.db2.gz MPRPQSGJPUBKGR-OAHLLOKOSA-N 2 1 344.421 3.791 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245673612 1123918816 /nfs/dbraw/zinc/91/88/16/1123918816.db2.gz HSOXMNOSBRXPHL-BURNTYAHSA-N 2 1 344.543 3.815 20 0 EHADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245747860 1123943908 /nfs/dbraw/zinc/94/39/08/1123943908.db2.gz SWNSTQRWZQDLLG-ZIBCJSCZSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245747860 1123943910 /nfs/dbraw/zinc/94/39/10/1123943910.db2.gz SWNSTQRWZQDLLG-ZIBCJSCZSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245747860 1123943911 /nfs/dbraw/zinc/94/39/11/1123943911.db2.gz SWNSTQRWZQDLLG-ZIBCJSCZSA-N 2 1 329.532 3.502 20 0 EHADMP CCCCOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245757153 1123947168 /nfs/dbraw/zinc/94/71/68/1123947168.db2.gz VBSVJTNWVZAMPD-MZADTFQBSA-N 2 1 330.516 3.978 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C12CCC2 ZINC000453121121 1129155801 /nfs/dbraw/zinc/15/58/01/1129155801.db2.gz LBGBDACEQRLBBH-BZZMCLGOSA-N 2 1 334.529 3.678 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C12CCC2 ZINC000453121121 1129155806 /nfs/dbraw/zinc/15/58/06/1129155806.db2.gz LBGBDACEQRLBBH-BZZMCLGOSA-N 2 1 334.529 3.678 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246139414 1124030755 /nfs/dbraw/zinc/03/07/55/1124030755.db2.gz RYYCJMUIOAWETH-GUYCJALGSA-N 2 1 337.305 3.832 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247158712 1124592463 /nfs/dbraw/zinc/59/24/63/1124592463.db2.gz XORQNCFTBGKQHP-SFNKJDCFSA-N 2 1 349.950 3.793 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247199094 1124594044 /nfs/dbraw/zinc/59/40/44/1124594044.db2.gz WEFXZJZOWPCFBW-RDBSUJKOSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247199094 1124594051 /nfs/dbraw/zinc/59/40/51/1124594051.db2.gz WEFXZJZOWPCFBW-RDBSUJKOSA-N 2 1 330.394 3.545 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000248065330 1124638082 /nfs/dbraw/zinc/63/80/82/1124638082.db2.gz ZISWRBMQBYBMEH-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000248065330 1124638086 /nfs/dbraw/zinc/63/80/86/1124638086.db2.gz ZISWRBMQBYBMEH-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000248065330 1124638092 /nfs/dbraw/zinc/63/80/92/1124638092.db2.gz ZISWRBMQBYBMEH-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC000248065330 1124638098 /nfs/dbraw/zinc/63/80/98/1124638098.db2.gz ZISWRBMQBYBMEH-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2OC)[C@H](C)C1 ZINC000248060146 1124638378 /nfs/dbraw/zinc/63/83/78/1124638378.db2.gz YDKARPJKLNMGSX-GGPKGHCWSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2OC)[C@H](C)C1 ZINC000248060146 1124638382 /nfs/dbraw/zinc/63/83/82/1124638382.db2.gz YDKARPJKLNMGSX-GGPKGHCWSA-N 2 1 348.531 3.791 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000248163561 1124644461 /nfs/dbraw/zinc/64/44/61/1124644461.db2.gz SNNMQXORANUXJW-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000248163561 1124644464 /nfs/dbraw/zinc/64/44/64/1124644464.db2.gz SNNMQXORANUXJW-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000248163561 1124644465 /nfs/dbraw/zinc/64/44/65/1124644465.db2.gz SNNMQXORANUXJW-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H](C)C1 ZINC000248638231 1124683606 /nfs/dbraw/zinc/68/36/06/1124683606.db2.gz MATIZNLGFLLGQU-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000248862300 1124708943 /nfs/dbraw/zinc/70/89/43/1124708943.db2.gz GNTODUINTLKTBM-SJLPKXTDSA-N 2 1 336.495 3.723 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000649415165 1124722663 /nfs/dbraw/zinc/72/26/63/1124722663.db2.gz MBBQEJLHMZESPO-YLJYHZDGSA-N 2 1 337.467 3.838 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000649415165 1124722667 /nfs/dbraw/zinc/72/26/67/1124722667.db2.gz MBBQEJLHMZESPO-YLJYHZDGSA-N 2 1 337.467 3.838 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000248967499 1124722999 /nfs/dbraw/zinc/72/29/99/1124722999.db2.gz CSPWIBMKOPMRNT-UHOSZYNNSA-N 2 1 342.527 3.795 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249292701 1124751422 /nfs/dbraw/zinc/75/14/22/1124751422.db2.gz QETUBKAVKGNJSB-RCCFBDPRSA-N 2 1 338.442 3.506 20 0 EHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594126 1124822509 /nfs/dbraw/zinc/82/25/09/1124822509.db2.gz BDHWGZSPZUPCJZ-GOSISDBHSA-N 2 1 348.506 3.772 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)oc1C ZINC000282150180 1125116630 /nfs/dbraw/zinc/11/66/30/1125116630.db2.gz LCWJSMJABXHJJY-IRXDYDNUSA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)oc1C ZINC000282150180 1125116634 /nfs/dbraw/zinc/11/66/34/1125116634.db2.gz LCWJSMJABXHJJY-IRXDYDNUSA-N 2 1 342.483 3.968 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000253296660 1125138404 /nfs/dbraw/zinc/13/84/04/1125138404.db2.gz TWGUOMLVAVOWMB-QHAWAJNXSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000253296660 1125138408 /nfs/dbraw/zinc/13/84/08/1125138408.db2.gz TWGUOMLVAVOWMB-QHAWAJNXSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000253296660 1125138410 /nfs/dbraw/zinc/13/84/10/1125138410.db2.gz TWGUOMLVAVOWMB-QHAWAJNXSA-N 2 1 328.500 3.542 20 0 EHADMP FC(F)COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683468 1125288572 /nfs/dbraw/zinc/28/85/72/1125288572.db2.gz MCMCFNOBIUHDGQ-KRWDZBQOSA-N 2 1 338.442 3.638 20 0 EHADMP FC(F)COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683468 1125288574 /nfs/dbraw/zinc/28/85/74/1125288574.db2.gz MCMCFNOBIUHDGQ-KRWDZBQOSA-N 2 1 338.442 3.638 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000182491750 1125318704 /nfs/dbraw/zinc/31/87/04/1125318704.db2.gz MABCALKLQRNFKE-ZWKOTPCHSA-N 3 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CC[N@H+](CC)C2)ccc1OC ZINC000182491750 1125318709 /nfs/dbraw/zinc/31/87/09/1125318709.db2.gz MABCALKLQRNFKE-ZWKOTPCHSA-N 2 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000182491750 1125318712 /nfs/dbraw/zinc/31/87/12/1125318712.db2.gz MABCALKLQRNFKE-ZWKOTPCHSA-N 2 1 347.547 3.529 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168725013 1129500635 /nfs/dbraw/zinc/50/06/35/1129500635.db2.gz AUSXTRKGIZIRDG-INIZCTEOSA-N 2 1 341.886 3.750 20 0 EHADMP CC(C)[N@@H+](C)CCCNCc1ccc(Cl)cc1Br ZINC000226333768 1129627569 /nfs/dbraw/zinc/62/75/69/1129627569.db2.gz ADVBPCNZPHXGND-UHFFFAOYSA-N 2 1 333.701 3.922 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994214 1129677005 /nfs/dbraw/zinc/67/70/05/1129677005.db2.gz OYVITJVIRYALSC-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994214 1129677007 /nfs/dbraw/zinc/67/70/07/1129677007.db2.gz OYVITJVIRYALSC-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994214 1129677010 /nfs/dbraw/zinc/67/70/10/1129677010.db2.gz OYVITJVIRYALSC-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994214 1129677012 /nfs/dbraw/zinc/67/70/12/1129677012.db2.gz OYVITJVIRYALSC-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP CO[C@]1(C)CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361426206 1129722951 /nfs/dbraw/zinc/72/29/51/1129722951.db2.gz RDSCQIREYOVYJN-ZCNNSNEGSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361426206 1129722953 /nfs/dbraw/zinc/72/29/53/1129722953.db2.gz RDSCQIREYOVYJN-ZCNNSNEGSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361426206 1129722955 /nfs/dbraw/zinc/72/29/55/1129722955.db2.gz RDSCQIREYOVYJN-ZCNNSNEGSA-N 2 1 340.552 3.547 20 0 EHADMP CCOC1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657965952 1129927834 /nfs/dbraw/zinc/92/78/34/1129927834.db2.gz DOKGOBOYELAALY-GJHJYOIJSA-N 2 1 330.516 3.834 20 0 EHADMP c1c2ccccc2sc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675156167 1130270054 /nfs/dbraw/zinc/27/00/54/1130270054.db2.gz FLFIEUKDWKPBTH-KRWDZBQOSA-N 2 1 330.497 3.634 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752165 1130464812 /nfs/dbraw/zinc/46/48/12/1130464812.db2.gz IBYSZNBDARMTSP-COXVUDFISA-N 2 1 337.305 3.597 20 0 EHADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675883300 1130501440 /nfs/dbraw/zinc/50/14/40/1130501440.db2.gz ZKPHAYSSJLEZES-BVSLBCMMSA-N 2 1 342.527 3.631 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@@H](c2ccco2)C1)[NH+]1CC[C@@H](c2ccco2)C1 ZINC000676252983 1130554242 /nfs/dbraw/zinc/55/42/42/1130554242.db2.gz VQBMHDCPMJFGOM-KZNAEPCWSA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccco2)C1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000676252983 1130554247 /nfs/dbraw/zinc/55/42/47/1130554247.db2.gz VQBMHDCPMJFGOM-KZNAEPCWSA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccco2)C1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000676252983 1130554249 /nfs/dbraw/zinc/55/42/49/1130554249.db2.gz VQBMHDCPMJFGOM-KZNAEPCWSA-N 2 1 328.456 3.930 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157117 1130593481 /nfs/dbraw/zinc/59/34/81/1130593481.db2.gz FNDABSWQBRPAMV-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166699961 1130595796 /nfs/dbraw/zinc/59/57/96/1130595796.db2.gz GIRCHNBFHMBRAS-CVEARBPZSA-N 3 1 326.488 3.562 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166745145 1130597876 /nfs/dbraw/zinc/59/78/76/1130597876.db2.gz NKQWRBPWEDDDOE-NCYKPQTJSA-N 2 1 328.500 3.679 20 0 EHADMP CCOCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172426030 1131722900 /nfs/dbraw/zinc/72/29/00/1131722900.db2.gz GOUYHJUTZBWEHQ-CTNGQTDRSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172426030 1131722905 /nfs/dbraw/zinc/72/29/05/1131722905.db2.gz GOUYHJUTZBWEHQ-CTNGQTDRSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172426030 1131722909 /nfs/dbraw/zinc/72/29/09/1131722909.db2.gz GOUYHJUTZBWEHQ-CTNGQTDRSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001172429437 1131724690 /nfs/dbraw/zinc/72/46/90/1131724690.db2.gz YGCJTCPEPZXJDW-LJQANCHMSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561446 1131772060 /nfs/dbraw/zinc/77/20/60/1131772060.db2.gz WKVIJTHBHWPJFB-RTBURBONSA-N 3 1 331.548 3.798 20 0 EHADMP Clc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000096245619 1131812240 /nfs/dbraw/zinc/81/22/40/1131812240.db2.gz SYBZKDWOGFXGPA-KDURUIRLSA-N 2 1 326.871 3.904 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172751366 1131831725 /nfs/dbraw/zinc/83/17/25/1131831725.db2.gz WCORNQYNWSSTCN-GGPKGHCWSA-N 2 1 346.515 3.607 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172751366 1131831732 /nfs/dbraw/zinc/83/17/32/1131831732.db2.gz WCORNQYNWSSTCN-GGPKGHCWSA-N 2 1 346.515 3.607 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172752187 1131833063 /nfs/dbraw/zinc/83/30/63/1131833063.db2.gz KNOGXVHJBRDAPI-SFHVURJKSA-N 2 1 346.515 3.751 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172770650 1131841146 /nfs/dbraw/zinc/84/11/46/1131841146.db2.gz NJEOLVQQHGGGFJ-QGZVFWFLSA-N 2 1 338.536 3.836 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172859725 1131878138 /nfs/dbraw/zinc/87/81/38/1131878138.db2.gz VZLMKEPATAJYMF-AWEZNQCLSA-N 2 1 347.865 3.755 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173105675 1131968036 /nfs/dbraw/zinc/96/80/36/1131968036.db2.gz APUZSJIDLDPYLY-UHFFFAOYSA-N 3 1 347.522 3.729 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](CCC(=O)OC)Cc2ccccc2)CC1 ZINC001173112307 1131970428 /nfs/dbraw/zinc/97/04/28/1131970428.db2.gz ULDOKUOGFYZAAZ-UHFFFAOYSA-N 2 1 346.515 3.705 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855662 1131988409 /nfs/dbraw/zinc/98/84/09/1131988409.db2.gz VTGYSGSJGMBINK-DLBZAZTESA-N 2 1 344.421 3.545 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855662 1131988418 /nfs/dbraw/zinc/98/84/18/1131988418.db2.gz VTGYSGSJGMBINK-DLBZAZTESA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855662 1131988423 /nfs/dbraw/zinc/98/84/23/1131988423.db2.gz VTGYSGSJGMBINK-DLBZAZTESA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855662 1131988429 /nfs/dbraw/zinc/98/84/29/1131988429.db2.gz VTGYSGSJGMBINK-DLBZAZTESA-N 2 1 344.421 3.545 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001173283135 1132042801 /nfs/dbraw/zinc/04/28/01/1132042801.db2.gz SPZPEZATKRDPGL-ZWKOTPCHSA-N 2 1 348.556 3.994 20 0 EHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CCCC2(CCCCC2)C1 ZINC001173346481 1132056807 /nfs/dbraw/zinc/05/68/07/1132056807.db2.gz YKNVRGUNYXJFHB-HSALFYBXSA-N 2 1 333.564 3.590 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484416 1132077344 /nfs/dbraw/zinc/07/73/44/1132077344.db2.gz SKEJGWSATZUHFR-IRXDYDNUSA-N 2 1 334.454 3.771 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484416 1132077353 /nfs/dbraw/zinc/07/73/53/1132077353.db2.gz SKEJGWSATZUHFR-IRXDYDNUSA-N 2 1 334.454 3.771 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1Cc2cc(F)c(F)cc2C1 ZINC001173484416 1132077361 /nfs/dbraw/zinc/07/73/61/1132077361.db2.gz SKEJGWSATZUHFR-IRXDYDNUSA-N 2 1 334.454 3.771 20 0 EHADMP C[C@H](CC[NH2+][C@H]1CCOC2(CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379641012 1132183561 /nfs/dbraw/zinc/18/35/61/1132183561.db2.gz XLMWHMUVWIADFU-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP c1ccc(C[N@H+]2CCC=C(Nc3cccnc3N3CCCC3)C2)cc1 ZINC001174392978 1132327326 /nfs/dbraw/zinc/32/73/26/1132327326.db2.gz OLAJVFRWOIONQU-UHFFFAOYSA-N 2 1 334.467 3.884 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116888 1132662587 /nfs/dbraw/zinc/66/25/87/1132662587.db2.gz SOOHPQUGXAYPGW-WARAAXDBSA-N 2 1 345.506 3.523 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116888 1132662591 /nfs/dbraw/zinc/66/25/91/1132662591.db2.gz SOOHPQUGXAYPGW-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116888 1132662596 /nfs/dbraw/zinc/66/25/96/1132662596.db2.gz SOOHPQUGXAYPGW-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116888 1132662599 /nfs/dbraw/zinc/66/25/99/1132662599.db2.gz SOOHPQUGXAYPGW-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116888 1132662602 /nfs/dbraw/zinc/66/26/02/1132662602.db2.gz SOOHPQUGXAYPGW-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC001169127980 1132665391 /nfs/dbraw/zinc/66/53/91/1132665391.db2.gz AWLYSDDVPFRMSK-FVQHAEBGSA-N 2 1 343.446 3.772 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C[NH3+])c3ccc(Br)cc31)C2 ZINC001169109032 1132669833 /nfs/dbraw/zinc/66/98/33/1132669833.db2.gz GPUJFOZVXXZVPM-FICVDOATSA-N 2 1 348.288 3.660 20 0 EHADMP CSc1c[nH]c2nc[nH+]c(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)c12 ZINC001169148762 1132677747 /nfs/dbraw/zinc/67/77/47/1132677747.db2.gz YCVBQRZMMJQLRD-DIFFPNOSSA-N 2 1 333.505 3.635 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](Cc3ccc4ccccc4c3)CC1)C2 ZINC001169153544 1132680976 /nfs/dbraw/zinc/68/09/76/1132680976.db2.gz JPLIJAYQKFMMFH-NUNAXRQHSA-N 2 1 349.522 3.583 20 0 EHADMP Cc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206004491 1132690958 /nfs/dbraw/zinc/69/09/58/1132690958.db2.gz SQMGWJQVXJLYKH-BXUZGUMPSA-N 2 1 343.284 3.703 20 0 EHADMP CC[NH+]1CCC(N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CC1 ZINC001169261929 1132704787 /nfs/dbraw/zinc/70/47/87/1132704787.db2.gz RHNJKBPCECPPIQ-QFIPXVFZSA-N 2 1 341.543 3.600 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001169266187 1132705490 /nfs/dbraw/zinc/70/54/90/1132705490.db2.gz TXYYTLFJKGWYPC-OAHLLOKOSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001169266187 1132705494 /nfs/dbraw/zinc/70/54/94/1132705494.db2.gz TXYYTLFJKGWYPC-OAHLLOKOSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](c2ccnc(C(F)(F)F)c2)C2CC2)CC1 ZINC001169240441 1132707355 /nfs/dbraw/zinc/70/73/55/1132707355.db2.gz IOQBACPDVDLHKY-INIZCTEOSA-N 2 1 327.394 3.625 20 0 EHADMP c1[nH+]c2ccccn2c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175796888 1132755631 /nfs/dbraw/zinc/75/56/31/1132755631.db2.gz RSNKYDJWAWJTJL-UHFFFAOYSA-N 2 1 336.439 3.943 20 0 EHADMP C[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001175768569 1132761398 /nfs/dbraw/zinc/76/13/98/1132761398.db2.gz MHILEDXWDWRVSP-MRXNPFEDSA-N 2 1 345.874 3.715 20 0 EHADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC001169564881 1132787466 /nfs/dbraw/zinc/78/74/66/1132787466.db2.gz YRYDEGQLSWAOLB-OAHLLOKOSA-N 2 1 327.476 3.717 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169923307 1132904949 /nfs/dbraw/zinc/90/49/49/1132904949.db2.gz IVLWIOYPONYBOR-WDSOQIARSA-N 2 1 336.520 3.577 20 0 EHADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001206276283 1132952253 /nfs/dbraw/zinc/95/22/53/1132952253.db2.gz DRRCZWRJMSZBBU-CYBMUJFWSA-N 2 1 333.273 3.644 20 0 EHADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001206276283 1132952256 /nfs/dbraw/zinc/95/22/56/1132952256.db2.gz DRRCZWRJMSZBBU-CYBMUJFWSA-N 2 1 333.273 3.644 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(-c2ccccc2C)c1C ZINC001177092691 1133031378 /nfs/dbraw/zinc/03/13/78/1133031378.db2.gz IVSPSUBWWPWHQU-UHFFFAOYSA-N 2 1 328.504 3.619 20 0 EHADMP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001177256422 1133046715 /nfs/dbraw/zinc/04/67/15/1133046715.db2.gz FVRBKCMEIPLXRA-OAHLLOKOSA-N 2 1 326.488 3.691 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn3ccccc3n2)C1 ZINC001177257237 1133046867 /nfs/dbraw/zinc/04/68/67/1133046867.db2.gz SMHHRSSDGAYCNV-GOSISDBHSA-N 2 1 348.494 3.856 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn3ccccc3n2)C1 ZINC001177257237 1133046873 /nfs/dbraw/zinc/04/68/73/1133046873.db2.gz SMHHRSSDGAYCNV-GOSISDBHSA-N 2 1 348.494 3.856 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)n2cccn2)CC1(C)C ZINC001177947801 1133120728 /nfs/dbraw/zinc/12/07/28/1133120728.db2.gz AFFDLCUGXDYSBX-ROUUACIJSA-N 2 1 346.906 3.588 20 0 EHADMP C[C@H](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCCCC1 ZINC001178463603 1133170791 /nfs/dbraw/zinc/17/07/91/1133170791.db2.gz RWBQDPYMZOSPQH-CTNGQTDRSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3CCCC3)cc2)CCCO1 ZINC001178472371 1133172111 /nfs/dbraw/zinc/17/21/11/1133172111.db2.gz CLHMNSYBZWRCJG-GOSISDBHSA-N 2 1 330.516 3.935 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@H]1C ZINC000769471516 1133298549 /nfs/dbraw/zinc/29/85/49/1133298549.db2.gz UYKZXXFOJCYAQL-WBMJQRKESA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@H]1C ZINC000769471516 1133298555 /nfs/dbraw/zinc/29/85/55/1133298555.db2.gz UYKZXXFOJCYAQL-WBMJQRKESA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@H]1C ZINC000769471516 1133298560 /nfs/dbraw/zinc/29/85/60/1133298560.db2.gz UYKZXXFOJCYAQL-WBMJQRKESA-N 2 1 346.544 3.921 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000769497690 1133301835 /nfs/dbraw/zinc/30/18/35/1133301835.db2.gz ZWWHLBCTSCGVLP-CALCHBBNSA-N 2 1 346.515 3.789 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000769497690 1133301842 /nfs/dbraw/zinc/30/18/42/1133301842.db2.gz ZWWHLBCTSCGVLP-CALCHBBNSA-N 2 1 346.515 3.789 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@]2(C)CCCCO2)CC1 ZINC001180052104 1133322487 /nfs/dbraw/zinc/32/24/87/1133322487.db2.gz PFONRHSGKVFAKP-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170010616 1133341363 /nfs/dbraw/zinc/34/13/63/1133341363.db2.gz GDSYYYHYKKLBHJ-UHFFFAOYSA-N 2 1 325.541 3.594 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000774411616 1133674019 /nfs/dbraw/zinc/67/40/19/1133674019.db2.gz KYAMXAUQHWJHKQ-WOJBJXKFSA-N 2 1 332.463 3.510 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137106 1133774297 /nfs/dbraw/zinc/77/42/97/1133774297.db2.gz OJKYAZUPTYQTLL-YPAWHYETSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137106 1133774300 /nfs/dbraw/zinc/77/43/00/1133774300.db2.gz OJKYAZUPTYQTLL-YPAWHYETSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001183137106 1133774306 /nfs/dbraw/zinc/77/43/06/1133774306.db2.gz OJKYAZUPTYQTLL-YPAWHYETSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183137106 1133774308 /nfs/dbraw/zinc/77/43/08/1133774308.db2.gz OJKYAZUPTYQTLL-YPAWHYETSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001183643750 1133835181 /nfs/dbraw/zinc/83/51/81/1133835181.db2.gz WPIVVEFZFBSRNK-RZUBCFFCSA-N 2 1 342.527 3.503 20 0 EHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3COC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001183643750 1133835185 /nfs/dbraw/zinc/83/51/85/1133835185.db2.gz WPIVVEFZFBSRNK-RZUBCFFCSA-N 2 1 342.527 3.503 20 0 EHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3COC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001183643750 1133835188 /nfs/dbraw/zinc/83/51/88/1133835188.db2.gz WPIVVEFZFBSRNK-RZUBCFFCSA-N 2 1 342.527 3.503 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001184300869 1133918428 /nfs/dbraw/zinc/91/84/28/1133918428.db2.gz DMAVUBGRKCLWPP-SZQXEIGCSA-N 2 1 342.527 3.898 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184387977 1133933674 /nfs/dbraw/zinc/93/36/74/1133933674.db2.gz ODICGIKABZTESN-VWNJHIHFSA-N 2 1 326.406 3.566 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(C)cc1Br ZINC001205296322 1133935466 /nfs/dbraw/zinc/93/54/66/1133935466.db2.gz MEFZXPSHOVEMIF-INIZCTEOSA-N 2 1 325.294 3.769 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)cc1Br ZINC001205296322 1133935469 /nfs/dbraw/zinc/93/54/69/1133935469.db2.gz MEFZXPSHOVEMIF-INIZCTEOSA-N 2 1 325.294 3.769 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303976 1133975454 /nfs/dbraw/zinc/97/54/54/1133975454.db2.gz MBTMKIFYDPGLHB-CMPLNLGQSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303976 1133975459 /nfs/dbraw/zinc/97/54/59/1133975459.db2.gz MBTMKIFYDPGLHB-CMPLNLGQSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc[nH]c(=O)c1 ZINC000788527695 1134144082 /nfs/dbraw/zinc/14/40/82/1134144082.db2.gz NZLGGQRWQUZEIX-IAGOWNOFSA-N 2 1 339.483 3.870 20 0 EHADMP C[C@@H]1CCCN1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000788607791 1134151286 /nfs/dbraw/zinc/15/12/86/1134151286.db2.gz CQOTZYIUOVQGSV-KMFTYDHNSA-N 2 1 329.532 3.504 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC001170217995 1134709520 /nfs/dbraw/zinc/70/95/20/1134709520.db2.gz DDUCZZDMZAWLQL-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391315 1134710034 /nfs/dbraw/zinc/71/00/34/1134710034.db2.gz CWJSORPVROFDML-ZWOKBUDYSA-N 3 1 347.547 3.670 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391315 1134710036 /nfs/dbraw/zinc/71/00/36/1134710036.db2.gz CWJSORPVROFDML-ZWOKBUDYSA-N 3 1 347.547 3.670 20 0 EHADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241400 1134719631 /nfs/dbraw/zinc/71/96/31/1134719631.db2.gz WHXIKROKTUULSK-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241400 1134719634 /nfs/dbraw/zinc/71/96/34/1134719634.db2.gz WHXIKROKTUULSK-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP Fc1ncccc1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000793281361 1134901246 /nfs/dbraw/zinc/90/12/46/1134901246.db2.gz OPELPIHHHLOBSH-VAMGGRTRSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000793281361 1134901255 /nfs/dbraw/zinc/90/12/55/1134901255.db2.gz OPELPIHHHLOBSH-VAMGGRTRSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000793281361 1134901262 /nfs/dbraw/zinc/90/12/62/1134901262.db2.gz OPELPIHHHLOBSH-VAMGGRTRSA-N 2 1 339.458 3.611 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000793522884 1134945795 /nfs/dbraw/zinc/94/57/95/1134945795.db2.gz GOENDIRQDNOTQJ-QZTJIDSGSA-N 2 1 340.515 3.954 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](CC)Cc2ccc3c(c2)OCO3)CC1 ZINC001170456512 1135114235 /nfs/dbraw/zinc/11/42/35/1135114235.db2.gz SUSLIWSIVFHUOB-SFHVURJKSA-N 2 1 346.515 3.933 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000775590607 1135124774 /nfs/dbraw/zinc/12/47/74/1135124774.db2.gz CLZFVYFXBOZNSW-GOSISDBHSA-N 2 1 342.886 3.565 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196936752 1135631562 /nfs/dbraw/zinc/63/15/62/1135631562.db2.gz ULYKZRSLNMAYMB-NRFANRHFSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196936752 1135631564 /nfs/dbraw/zinc/63/15/64/1135631564.db2.gz ULYKZRSLNMAYMB-NRFANRHFSA-N 2 1 343.515 3.731 20 0 EHADMP c1cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)ccc1C[NH+]1CCCCC1 ZINC001197033522 1135643102 /nfs/dbraw/zinc/64/31/02/1135643102.db2.gz WJKWCGOIORVLLQ-VQTJNVASSA-N 2 1 330.541 3.857 20 0 EHADMP C[C@H]1CC[C@H](C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)O1 ZINC001198203470 1135784888 /nfs/dbraw/zinc/78/48/88/1135784888.db2.gz ZVSUWKNTGZOCTI-AZUAARDMSA-N 2 1 328.500 3.641 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000809767468 1135879492 /nfs/dbraw/zinc/87/94/92/1135879492.db2.gz MGPHJBIBYUVEHH-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000809767468 1135879495 /nfs/dbraw/zinc/87/94/95/1135879495.db2.gz MGPHJBIBYUVEHH-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767468 1135879497 /nfs/dbraw/zinc/87/94/97/1135879497.db2.gz MGPHJBIBYUVEHH-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767468 1135879500 /nfs/dbraw/zinc/87/95/00/1135879500.db2.gz MGPHJBIBYUVEHH-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767967 1135880636 /nfs/dbraw/zinc/88/06/36/1135880636.db2.gz ZAZNHKXSEVDMMA-HOCLYGCPSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767967 1135880639 /nfs/dbraw/zinc/88/06/39/1135880639.db2.gz ZAZNHKXSEVDMMA-HOCLYGCPSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767967 1135880643 /nfs/dbraw/zinc/88/06/43/1135880643.db2.gz ZAZNHKXSEVDMMA-HOCLYGCPSA-N 2 1 326.456 3.917 20 0 EHADMP CCCn1nc(C)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000809738836 1135883407 /nfs/dbraw/zinc/88/34/07/1135883407.db2.gz MCGJKEUTZIPLLX-UHFFFAOYSA-N 2 1 328.504 3.604 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC001199328762 1135898002 /nfs/dbraw/zinc/89/80/02/1135898002.db2.gz IUJVKDJKZHQFTF-NRFANRHFSA-N 2 1 343.559 3.883 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC001200924093 1135966261 /nfs/dbraw/zinc/96/62/61/1135966261.db2.gz ZUQYTJAONHQGLP-GHTZIAJQSA-N 2 1 341.543 3.819 20 0 EHADMP CCC[C@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201541769 1136034262 /nfs/dbraw/zinc/03/42/62/1136034262.db2.gz GCKRXAQVXKRXAR-ROUUACIJSA-N 2 1 334.504 3.771 20 0 EHADMP CCCC[C@@H](CC)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001201565930 1136041206 /nfs/dbraw/zinc/04/12/06/1136041206.db2.gz MHBGFIDGSWUHPP-LJQANCHMSA-N 2 1 346.563 3.944 20 0 EHADMP CCCCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201750995 1136059249 /nfs/dbraw/zinc/05/92/49/1136059249.db2.gz REWUHLWPCONDDO-UHFFFAOYSA-N 2 1 345.531 3.576 20 0 EHADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850095398 1136210034 /nfs/dbraw/zinc/21/00/34/1136210034.db2.gz AHARWJNGDBBGHZ-UHFFFAOYSA-N 2 1 344.547 3.822 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850573675 1136289359 /nfs/dbraw/zinc/28/93/59/1136289359.db2.gz PJPSRUIAQGBKIE-MOPGFXCFSA-N 2 1 336.907 3.614 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851802039 1136408047 /nfs/dbraw/zinc/40/80/47/1136408047.db2.gz ASXHSOKCCVUZBN-YZGWKJHDSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851802039 1136408049 /nfs/dbraw/zinc/40/80/49/1136408049.db2.gz ASXHSOKCCVUZBN-YZGWKJHDSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802039 1136408051 /nfs/dbraw/zinc/40/80/51/1136408051.db2.gz ASXHSOKCCVUZBN-YZGWKJHDSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802039 1136408052 /nfs/dbraw/zinc/40/80/52/1136408052.db2.gz ASXHSOKCCVUZBN-YZGWKJHDSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000853239244 1136521040 /nfs/dbraw/zinc/52/10/40/1136521040.db2.gz CUGRLCKOHZRLSN-WMZOPIPTSA-N 2 1 328.500 3.784 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146547 1136562003 /nfs/dbraw/zinc/56/20/03/1136562003.db2.gz RMHSZEMYANZQSO-KRWDZBQOSA-N 2 1 326.456 3.919 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146547 1136562006 /nfs/dbraw/zinc/56/20/06/1136562006.db2.gz RMHSZEMYANZQSO-KRWDZBQOSA-N 2 1 326.456 3.919 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146547 1136562007 /nfs/dbraw/zinc/56/20/07/1136562007.db2.gz RMHSZEMYANZQSO-KRWDZBQOSA-N 2 1 326.456 3.919 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146547 1136562010 /nfs/dbraw/zinc/56/20/10/1136562010.db2.gz RMHSZEMYANZQSO-KRWDZBQOSA-N 2 1 326.456 3.919 20 0 EHADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170795594 1136623270 /nfs/dbraw/zinc/62/32/70/1136623270.db2.gz GDDAXAHCLSGWFJ-CQSZACIVSA-N 2 1 342.405 3.524 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817969311 1136853615 /nfs/dbraw/zinc/85/36/15/1136853615.db2.gz UMIRRZVGCZBLIM-QGZBPCDMSA-N 2 1 330.516 3.528 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000818985444 1136897100 /nfs/dbraw/zinc/89/71/00/1136897100.db2.gz SVASIQPBRLYSTH-UTKZUKDTSA-N 2 1 326.484 3.583 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101487 1136908638 /nfs/dbraw/zinc/90/86/38/1136908638.db2.gz VHNKOIKBONGGHF-DKSSEZFCSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101487 1136908642 /nfs/dbraw/zinc/90/86/42/1136908642.db2.gz VHNKOIKBONGGHF-DKSSEZFCSA-N 2 1 348.487 3.593 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000858115804 1136941626 /nfs/dbraw/zinc/94/16/26/1136941626.db2.gz MFSCHZLTJWDFRS-AWEZNQCLSA-N 2 1 338.517 3.523 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000858115804 1136941629 /nfs/dbraw/zinc/94/16/29/1136941629.db2.gz MFSCHZLTJWDFRS-AWEZNQCLSA-N 2 1 338.517 3.523 20 0 EHADMP CC[NH+](CC)CCOc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858394697 1136964417 /nfs/dbraw/zinc/96/44/17/1136964417.db2.gz XIHKVEXVBJBGSV-SFHVURJKSA-N 2 1 333.520 3.692 20 0 EHADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820810128 1137005264 /nfs/dbraw/zinc/00/52/64/1137005264.db2.gz PKGVMCGAMJLULC-OGAVPMENSA-N 2 1 344.543 3.959 20 0 EHADMP C[C@@H](O)CC(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820824841 1137007415 /nfs/dbraw/zinc/00/74/15/1137007415.db2.gz VSFDHNSVHVWFJH-LBFURVHYSA-N 2 1 344.543 3.959 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccnc2C(F)(F)F)cc1 ZINC000859212036 1137007789 /nfs/dbraw/zinc/00/77/89/1137007789.db2.gz BZTACASNBJEIPS-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccnc2C(F)(F)F)cc1 ZINC000859212036 1137007791 /nfs/dbraw/zinc/00/77/91/1137007791.db2.gz BZTACASNBJEIPS-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000859995155 1137039978 /nfs/dbraw/zinc/03/99/78/1137039978.db2.gz MEXXSARENNILAO-LJQANCHMSA-N 2 1 348.437 3.582 20 0 EHADMP COCC1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000824332057 1137135188 /nfs/dbraw/zinc/13/51/88/1137135188.db2.gz DOEOJQXGCVLVCF-XVAXZDLZSA-N 2 1 330.516 3.693 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000429553941 1137199262 /nfs/dbraw/zinc/19/92/62/1137199262.db2.gz HQYRBUXATJUGGA-OAHLLOKOSA-N 2 1 330.394 3.500 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000429553941 1137199264 /nfs/dbraw/zinc/19/92/64/1137199264.db2.gz HQYRBUXATJUGGA-OAHLLOKOSA-N 2 1 330.394 3.500 20 0 EHADMP Fc1cccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000865635857 1137300715 /nfs/dbraw/zinc/30/07/15/1137300715.db2.gz HWJADJMKJULFOT-INIZCTEOSA-N 2 1 327.447 3.586 20 0 EHADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865697672 1137304997 /nfs/dbraw/zinc/30/49/97/1137304997.db2.gz BEAURVIMHJYFKK-QRVBRYPASA-N 2 1 325.500 3.716 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1(C)C ZINC000865834038 1137315249 /nfs/dbraw/zinc/31/52/49/1137315249.db2.gz FHXOKCPQODHRHN-QMCVQRASSA-N 2 1 349.316 3.550 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866260704 1137340220 /nfs/dbraw/zinc/34/02/20/1137340220.db2.gz WGVLKLRAMFLVFD-RYUDHWBXSA-N 2 1 332.835 3.973 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000846858559 1137372411 /nfs/dbraw/zinc/37/24/11/1137372411.db2.gz UOHMFPGFCIEBFS-HNNXBMFYSA-N 2 1 337.389 3.861 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000846858559 1137372413 /nfs/dbraw/zinc/37/24/13/1137372413.db2.gz UOHMFPGFCIEBFS-HNNXBMFYSA-N 2 1 337.389 3.861 20 0 EHADMP BrC1(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000846900932 1137374896 /nfs/dbraw/zinc/37/48/96/1137374896.db2.gz YQVGHKXAYIBVFN-KRWDZBQOSA-N 2 1 349.316 3.512 20 0 EHADMP BrC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000846900932 1137374898 /nfs/dbraw/zinc/37/48/98/1137374898.db2.gz YQVGHKXAYIBVFN-KRWDZBQOSA-N 2 1 349.316 3.512 20 0 EHADMP BrC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000846900932 1137374900 /nfs/dbraw/zinc/37/49/00/1137374900.db2.gz YQVGHKXAYIBVFN-KRWDZBQOSA-N 2 1 349.316 3.512 20 0 EHADMP BrC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000846900932 1137374902 /nfs/dbraw/zinc/37/49/02/1137374902.db2.gz YQVGHKXAYIBVFN-KRWDZBQOSA-N 2 1 349.316 3.512 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000348176971 1137450751 /nfs/dbraw/zinc/45/07/51/1137450751.db2.gz WYXSFOXZQYVDMQ-SCLBCKFNSA-N 2 1 327.453 3.626 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171380599 1137465045 /nfs/dbraw/zinc/46/50/45/1137465045.db2.gz OOYRCGNDPUBYLC-SFHVURJKSA-N 2 1 336.470 3.874 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCc3c(F)cccc3C2)[nH+]1 ZINC001171439897 1137485734 /nfs/dbraw/zinc/48/57/34/1137485734.db2.gz FEKBSWVFQGBDBY-SFHVURJKSA-N 2 1 339.458 3.645 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171445380 1137486673 /nfs/dbraw/zinc/48/66/73/1137486673.db2.gz JVOMLZLJMPSTFT-GOSISDBHSA-N 2 1 339.458 3.645 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716619062 1137487751 /nfs/dbraw/zinc/48/77/51/1137487751.db2.gz BARQSGMKIZYSQN-GVVDHYSOSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716680089 1137488248 /nfs/dbraw/zinc/48/82/48/1137488248.db2.gz FRJKPILWMMPEFL-NMLBUPMWSA-N 2 1 328.500 3.587 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506373 1137495109 /nfs/dbraw/zinc/49/51/09/1137495109.db2.gz VRDBTCWFYCXKHO-CQSZACIVSA-N 2 1 328.422 3.673 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@H](O)c2cc3ccccc3o2)CC1(C)C ZINC001171630036 1137499705 /nfs/dbraw/zinc/49/97/05/1137499705.db2.gz FTYOBJGGNZHLTL-MRXNPFEDSA-N 2 1 330.472 3.707 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637882 1137504480 /nfs/dbraw/zinc/50/44/80/1137504480.db2.gz QTNRLBPOHVZUMV-SFHVURJKSA-N 2 1 331.504 3.576 20 0 EHADMP Cc1cccnc1O[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641926 1137504877 /nfs/dbraw/zinc/50/48/77/1137504877.db2.gz WIGPQBRFTHUOEU-SFHVURJKSA-N 2 1 345.531 3.885 20 0 EHADMP C[C@@H]1C[C@H](N(CCC[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171724837 1137505977 /nfs/dbraw/zinc/50/59/77/1137505977.db2.gz CEWCRCGGOIOMQA-NQIIRXRSSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724837 1137505978 /nfs/dbraw/zinc/50/59/78/1137505978.db2.gz CEWCRCGGOIOMQA-NQIIRXRSSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724837 1137505980 /nfs/dbraw/zinc/50/59/80/1137505980.db2.gz CEWCRCGGOIOMQA-NQIIRXRSSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727605 1137506746 /nfs/dbraw/zinc/50/67/46/1137506746.db2.gz XARBHEMEKKTZCN-XYJFISCASA-N 2 1 334.467 3.892 20 0 EHADMP C[C@@H]1C[C@H](n2c(-c3ccccc3)cnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171739360 1137510924 /nfs/dbraw/zinc/51/09/24/1137510924.db2.gz CBOKRAGBVCXQFQ-XLIONFOSSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742452 1137511547 /nfs/dbraw/zinc/51/15/47/1137511547.db2.gz XWMPETPMLZDGNR-CIQXWFTPSA-N 2 1 341.543 3.631 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC(C)(C(=O)OCC)CC2)CC1 ZINC001171957208 1137518898 /nfs/dbraw/zinc/51/88/98/1137518898.db2.gz HOJKFKVXUKMAMS-UHFFFAOYSA-N 2 1 338.536 3.695 20 0 EHADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171967585 1137520783 /nfs/dbraw/zinc/52/07/83/1137520783.db2.gz AUJUZTHBLMVQCV-IBGZPJMESA-N 2 1 348.531 3.808 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CC[N@@H+]1Cc1ccccc1 ZINC001171988868 1137522439 /nfs/dbraw/zinc/52/24/39/1137522439.db2.gz WVCSTRRCOGTUPW-QZTJIDSGSA-N 2 1 348.531 3.959 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CC[N@H+]1Cc1ccccc1 ZINC001171988868 1137522441 /nfs/dbraw/zinc/52/24/41/1137522441.db2.gz WVCSTRRCOGTUPW-QZTJIDSGSA-N 2 1 348.531 3.959 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171971857 1137523766 /nfs/dbraw/zinc/52/37/66/1137523766.db2.gz KSRDIHJXYIWJOB-RBUKOAKNSA-N 2 1 330.516 3.977 20 0 EHADMP CCOC(=O)CC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980822 1137526418 /nfs/dbraw/zinc/52/64/18/1137526418.db2.gz XDIFSYOLOXMTFZ-SFHVURJKSA-N 2 1 344.499 3.505 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCCC3(COC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981508 1137526436 /nfs/dbraw/zinc/52/64/36/1137526436.db2.gz MJASRWJFLXTLCL-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981508 1137526437 /nfs/dbraw/zinc/52/64/37/1137526437.db2.gz MJASRWJFLXTLCL-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCCC3(COC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981508 1137526438 /nfs/dbraw/zinc/52/64/38/1137526438.db2.gz MJASRWJFLXTLCL-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP CC(C)C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981042 1137526448 /nfs/dbraw/zinc/52/64/48/1137526448.db2.gz VTDDBNJBQNJGSU-SFTDATJTSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981042 1137526449 /nfs/dbraw/zinc/52/64/49/1137526449.db2.gz VTDDBNJBQNJGSU-SFTDATJTSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981042 1137526450 /nfs/dbraw/zinc/52/64/50/1137526450.db2.gz VTDDBNJBQNJGSU-SFTDATJTSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981179 1137526703 /nfs/dbraw/zinc/52/67/03/1137526703.db2.gz ZJRUXESNWRXYTF-SFHVURJKSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981179 1137526705 /nfs/dbraw/zinc/52/67/05/1137526705.db2.gz ZJRUXESNWRXYTF-SFHVURJKSA-N 2 1 329.532 3.502 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H](CO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171983414 1137526782 /nfs/dbraw/zinc/52/67/82/1137526782.db2.gz NTRZIFAVVYBCRH-NHCUHLMSSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)O[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983775 1137527039 /nfs/dbraw/zinc/52/70/39/1137527039.db2.gz AMSDDMREWCUEDR-PMACEKPBSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983775 1137527040 /nfs/dbraw/zinc/52/70/40/1137527040.db2.gz AMSDDMREWCUEDR-PMACEKPBSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983775 1137527041 /nfs/dbraw/zinc/52/70/41/1137527041.db2.gz AMSDDMREWCUEDR-PMACEKPBSA-N 2 1 330.516 3.929 20 0 EHADMP CC1(C)C[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985521 1137527271 /nfs/dbraw/zinc/52/72/71/1137527271.db2.gz XOTCWLBSELCOKV-LEWJYISDSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC3(C2)CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171983786 1137527292 /nfs/dbraw/zinc/52/72/92/1137527292.db2.gz GQNLMOQCISRPPL-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988450 1137527987 /nfs/dbraw/zinc/52/79/87/1137527987.db2.gz RPVJZEUVMDTAFT-VQTJNVASSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988450 1137527988 /nfs/dbraw/zinc/52/79/88/1137527988.db2.gz RPVJZEUVMDTAFT-VQTJNVASSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988450 1137527989 /nfs/dbraw/zinc/52/79/89/1137527989.db2.gz RPVJZEUVMDTAFT-VQTJNVASSA-N 2 1 330.516 3.524 20 0 EHADMP c1ncc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172072086 1137529862 /nfs/dbraw/zinc/52/98/62/1137529862.db2.gz KKHLALFARUJQQV-REPLKXPHSA-N 2 1 341.524 3.861 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC4(C2)CCOCC4)C3)cc1 ZINC001172076001 1137530453 /nfs/dbraw/zinc/53/04/53/1137530453.db2.gz ZKWRWADZUDJZFZ-WKCHPHFGSA-N 2 1 340.511 3.685 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC001172079965 1137531132 /nfs/dbraw/zinc/53/11/32/1137531132.db2.gz RLMJONJRCPVOHM-RQUKQETFSA-N 2 1 328.500 3.729 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@H]2CCCCO2)C3)cc1 ZINC001172062987 1137533141 /nfs/dbraw/zinc/53/31/41/1137533141.db2.gz VCZVRPIHZXETME-MXEMCNAFSA-N 2 1 328.500 3.731 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(n3cnc4ccccc43)CC1)C2 ZINC001172134006 1137535946 /nfs/dbraw/zinc/53/59/46/1137535946.db2.gz VYYPLNZTFFJKJA-REPLKXPHSA-N 2 1 338.499 3.689 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(n3cnc4ccccc43)CC1)C2 ZINC001172134006 1137535948 /nfs/dbraw/zinc/53/59/48/1137535948.db2.gz VYYPLNZTFFJKJA-REPLKXPHSA-N 2 1 338.499 3.689 20 0 EHADMP COCCC[NH+]1CCC([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC001172242485 1137544144 /nfs/dbraw/zinc/54/41/44/1137544144.db2.gz CYHMWZMJTHLSGZ-DLIHROTGSA-N 2 1 334.548 3.826 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001172253224 1137544618 /nfs/dbraw/zinc/54/46/18/1137544618.db2.gz HGWHJKMLANEJMF-FQEVSTJZSA-N 2 1 330.516 3.757 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001172253224 1137544619 /nfs/dbraw/zinc/54/46/19/1137544619.db2.gz HGWHJKMLANEJMF-FQEVSTJZSA-N 2 1 330.516 3.757 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336232 1137551594 /nfs/dbraw/zinc/55/15/94/1137551594.db2.gz SCSVEUZYDIDBEV-HNBVOPMISA-N 2 1 333.520 3.747 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172421274 1137556649 /nfs/dbraw/zinc/55/66/49/1137556649.db2.gz RNICTUQQLMZGHY-IEBWSBKVSA-N 2 1 334.504 3.771 20 0 EHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000872021084 1137565282 /nfs/dbraw/zinc/56/52/82/1137565282.db2.gz OAAMYARXHHYFIC-VQTJNVASSA-N 2 1 330.516 3.618 20 0 EHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000872021084 1137565283 /nfs/dbraw/zinc/56/52/83/1137565283.db2.gz OAAMYARXHHYFIC-VQTJNVASSA-N 2 1 330.516 3.618 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000872040528 1137567063 /nfs/dbraw/zinc/56/70/63/1137567063.db2.gz MDERPVNFOHGLKI-AYWYSENESA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000872040528 1137567064 /nfs/dbraw/zinc/56/70/64/1137567064.db2.gz MDERPVNFOHGLKI-AYWYSENESA-N 2 1 330.516 3.692 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158610 1137574521 /nfs/dbraw/zinc/57/45/21/1137574521.db2.gz WHXLLJVUZGLCFC-GHTZIAJQSA-N 2 1 343.515 3.765 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158612 1137574626 /nfs/dbraw/zinc/57/46/26/1137574626.db2.gz WHXLLJVUZGLCFC-RXVVDRJESA-N 2 1 343.515 3.765 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783004 1137661220 /nfs/dbraw/zinc/66/12/20/1137661220.db2.gz SWZZXXYADCUCIH-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783004 1137661221 /nfs/dbraw/zinc/66/12/21/1137661221.db2.gz SWZZXXYADCUCIH-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783004 1137661222 /nfs/dbraw/zinc/66/12/22/1137661222.db2.gz SWZZXXYADCUCIH-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876783004 1137661223 /nfs/dbraw/zinc/66/12/23/1137661223.db2.gz SWZZXXYADCUCIH-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743039 1137687659 /nfs/dbraw/zinc/68/76/59/1137687659.db2.gz SYRXOWGUXTUWSR-KMFMINBZSA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743039 1137687660 /nfs/dbraw/zinc/68/76/60/1137687660.db2.gz SYRXOWGUXTUWSR-KMFMINBZSA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743039 1137687661 /nfs/dbraw/zinc/68/76/61/1137687661.db2.gz SYRXOWGUXTUWSR-KMFMINBZSA-N 2 1 326.406 3.835 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC[N@@H+]2C2CC2)cc1 ZINC000877804846 1137690469 /nfs/dbraw/zinc/69/04/69/1137690469.db2.gz FHEWIPWGEBIPJR-OPNZPCBVSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC[N@H+]2C2CC2)cc1 ZINC000877804846 1137690470 /nfs/dbraw/zinc/69/04/70/1137690470.db2.gz FHEWIPWGEBIPJR-OPNZPCBVSA-N 2 1 340.511 3.902 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1F ZINC000126735182 1137692633 /nfs/dbraw/zinc/69/26/33/1137692633.db2.gz SXLMBHLHEMMIAQ-UHFFFAOYSA-N 2 1 330.447 3.964 20 0 EHADMP Cc1nccn1CCC[N@H+](C)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878287951 1137709907 /nfs/dbraw/zinc/70/99/07/1137709907.db2.gz KBWVTKWGRZCUFO-WOJBJXKFSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878287951 1137709908 /nfs/dbraw/zinc/70/99/08/1137709908.db2.gz KBWVTKWGRZCUFO-WOJBJXKFSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878287951 1137709909 /nfs/dbraw/zinc/70/99/09/1137709909.db2.gz KBWVTKWGRZCUFO-WOJBJXKFSA-N 2 1 327.472 3.824 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878337053 1137711393 /nfs/dbraw/zinc/71/13/93/1137711393.db2.gz AHJYORZXRIURJW-HLAWJBBLSA-N 2 1 343.515 3.578 20 0 EHADMP C[N@@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608625 1137722135 /nfs/dbraw/zinc/72/21/35/1137722135.db2.gz XVOZDAXHNZNFQX-RZQVSUQPSA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608625 1137722136 /nfs/dbraw/zinc/72/21/36/1137722136.db2.gz XVOZDAXHNZNFQX-RZQVSUQPSA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608625 1137722137 /nfs/dbraw/zinc/72/21/37/1137722137.db2.gz XVOZDAXHNZNFQX-RZQVSUQPSA-N 2 1 328.500 3.854 20 0 EHADMP C1=CC[C@@H]2C[NH+](Cc3cncc(C[N@@H+]4C[C@@H]5CC=CC[C@@H]5C4)c3)C[C@@H]2C1 ZINC000879530226 1137749930 /nfs/dbraw/zinc/74/99/30/1137749930.db2.gz PTGUAFDXOJNJQI-MESAYYPLSA-N 2 1 349.522 3.878 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cncc(C(F)(F)F)c1 ZINC000880517148 1137780480 /nfs/dbraw/zinc/78/04/80/1137780480.db2.gz JMAHBXQXLNVHRC-UHFFFAOYSA-N 2 1 329.410 3.798 20 0 EHADMP COC[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134172 1137792451 /nfs/dbraw/zinc/79/24/51/1137792451.db2.gz BUOHGLUMUCYVHE-OXQOHEQNSA-N 2 1 327.472 3.606 20 0 EHADMP COC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134172 1137792452 /nfs/dbraw/zinc/79/24/52/1137792452.db2.gz BUOHGLUMUCYVHE-OXQOHEQNSA-N 2 1 327.472 3.606 20 0 EHADMP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000130498311 1137838878 /nfs/dbraw/zinc/83/88/78/1137838878.db2.gz IXXGPHKHQWYJKT-PKOBYXMFSA-N 2 1 344.499 3.839 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3oc(=O)oc3c2)c1 ZINC000882932231 1137838980 /nfs/dbraw/zinc/83/89/80/1137838980.db2.gz BULCBINLDDQAIZ-UHFFFAOYSA-N 2 1 340.423 3.516 20 0 EHADMP CCSc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000883245507 1137850277 /nfs/dbraw/zinc/85/02/77/1137850277.db2.gz MZTKXCDQOXDMDI-SFHVURJKSA-N 2 1 334.529 3.532 20 0 EHADMP Cc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c(Cl)n1 ZINC000883302027 1137853486 /nfs/dbraw/zinc/85/34/86/1137853486.db2.gz OOKJOBSBXVIYQI-HNNXBMFYSA-N 2 1 347.890 3.835 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC000883351386 1137856920 /nfs/dbraw/zinc/85/69/20/1137856920.db2.gz DXMBEYVECDFRBS-CUUWFGFTSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCC[C@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434424 1137860527 /nfs/dbraw/zinc/86/05/27/1137860527.db2.gz QXTOOFYMLRNNHP-MISYRCLQSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)O2)cc1 ZINC000883435273 1137860530 /nfs/dbraw/zinc/86/05/30/1137860530.db2.gz NTEGUYDEKHZYBQ-HBMCJLEFSA-N 2 1 328.500 3.618 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348229456 1137869512 /nfs/dbraw/zinc/86/95/12/1137869512.db2.gz RYOMJFOWLMMAST-LNLFQRSKSA-N 2 1 339.483 3.651 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348229456 1137869513 /nfs/dbraw/zinc/86/95/13/1137869513.db2.gz RYOMJFOWLMMAST-LNLFQRSKSA-N 2 1 339.483 3.651 20 0 EHADMP C[C@H](c1cccnc1)[N@@H+](C)CCCC[NH+](C)[C@@H](C)c1cccnc1 ZINC000118401372 1137933682 /nfs/dbraw/zinc/93/36/82/1137933682.db2.gz IZAHMMSXYLRFAD-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H](c1cccnc1)[NH+](C)CCCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000118401372 1137933683 /nfs/dbraw/zinc/93/36/83/1137933683.db2.gz IZAHMMSXYLRFAD-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H](c1cccnc1)[NH+](C)CCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000118401372 1137933684 /nfs/dbraw/zinc/93/36/84/1137933684.db2.gz IZAHMMSXYLRFAD-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121284840 1137956572 /nfs/dbraw/zinc/95/65/72/1137956572.db2.gz ZCNLPPAOPMIBOY-NJYVYQBISA-N 2 1 340.511 3.507 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000885920804 1138024885 /nfs/dbraw/zinc/02/48/85/1138024885.db2.gz HRQMAAHPZHBSEH-CTNGQTDRSA-N 2 1 330.516 3.631 20 0 EHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000885956859 1138028540 /nfs/dbraw/zinc/02/85/40/1138028540.db2.gz ZZPGMWCLYOJGIA-AWEZNQCLSA-N 2 1 335.904 3.798 20 0 EHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000885956859 1138028542 /nfs/dbraw/zinc/02/85/42/1138028542.db2.gz ZZPGMWCLYOJGIA-AWEZNQCLSA-N 2 1 335.904 3.798 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287074 1138064600 /nfs/dbraw/zinc/06/46/00/1138064600.db2.gz JHTMPGAVFRRCTB-WOJBJXKFSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287074 1138064602 /nfs/dbraw/zinc/06/46/02/1138064602.db2.gz JHTMPGAVFRRCTB-WOJBJXKFSA-N 2 1 340.511 3.732 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1F ZINC000886512248 1138087137 /nfs/dbraw/zinc/08/71/37/1138087137.db2.gz AHCXSNIBBPKORY-IBGZPJMESA-N 2 1 341.434 3.540 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886532223 1138091309 /nfs/dbraw/zinc/09/13/09/1138091309.db2.gz GFPSIOOZLFUCFA-MDNKFWRPSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC[C@H]1O ZINC000886537279 1138092477 /nfs/dbraw/zinc/09/24/77/1138092477.db2.gz XPSRDGPMCLARKZ-MLBCHFTJSA-N 2 1 342.527 3.570 20 0 EHADMP FC(F)(F)C1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886609382 1138101441 /nfs/dbraw/zinc/10/14/41/1138101441.db2.gz RTBFJSWHUGQVRR-ULQDDVLXSA-N 2 1 338.417 3.972 20 0 EHADMP COC1([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886626463 1138103759 /nfs/dbraw/zinc/10/37/59/1138103759.db2.gz BXJSILMZDGPPQO-GTAWCEEGSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3cc(OC(C)C)ccn3)CC2)[nH+]c1C ZINC000886660810 1138110145 /nfs/dbraw/zinc/11/01/45/1138110145.db2.gz GLRDJLONTZYHKD-UHFFFAOYSA-N 2 1 328.460 3.588 20 0 EHADMP COC(=O)c1oc([C@@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1C ZINC000886664167 1138111227 /nfs/dbraw/zinc/11/12/27/1138111227.db2.gz DHIDJCOCVNFPGF-CQSZACIVSA-N 2 1 345.443 3.655 20 0 EHADMP CCc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000080968908 1138165052 /nfs/dbraw/zinc/16/50/52/1138165052.db2.gz XVVVATYAALSFBS-UHFFFAOYSA-N 2 1 337.511 3.783 20 0 EHADMP c1ccc2c(c1)CCC[C@H]2OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089686739 1138203875 /nfs/dbraw/zinc/20/38/75/1138203875.db2.gz UTUXBRHMMFPXGB-QKNQBKEWSA-N 2 1 328.500 3.687 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000091726554 1138221148 /nfs/dbraw/zinc/22/11/48/1138221148.db2.gz XOHNUJMOCLPHSJ-YLJYHZDGSA-N 2 1 346.515 3.545 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253453 1138226296 /nfs/dbraw/zinc/22/62/96/1138226296.db2.gz PBHWBMUKCWXUTQ-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253453 1138226298 /nfs/dbraw/zinc/22/62/98/1138226298.db2.gz PBHWBMUKCWXUTQ-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253453 1138226299 /nfs/dbraw/zinc/22/62/99/1138226299.db2.gz PBHWBMUKCWXUTQ-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253453 1138226301 /nfs/dbraw/zinc/22/63/01/1138226301.db2.gz PBHWBMUKCWXUTQ-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccnc(Cl)c1 ZINC000092821278 1138232053 /nfs/dbraw/zinc/23/20/53/1138232053.db2.gz DXKBDRUXEOJVMO-UHFFFAOYSA-N 2 1 344.890 3.869 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000124006203 1138277271 /nfs/dbraw/zinc/27/72/71/1138277271.db2.gz KHNYRJQVRFMGTI-KRWDZBQOSA-N 2 1 349.482 3.570 20 0 EHADMP CO[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000348420503 1138305626 /nfs/dbraw/zinc/30/56/26/1138305626.db2.gz LTFUXERHAXFKAV-LRDDRELGSA-N 2 1 341.377 3.799 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000337948636 1138705078 /nfs/dbraw/zinc/70/50/78/1138705078.db2.gz IRFOWVVURYKDQW-UHFFFAOYSA-N 2 1 326.469 3.803 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137736180 1138872801 /nfs/dbraw/zinc/87/28/01/1138872801.db2.gz OXHQAXYAWIPQPT-LJQANCHMSA-N 2 1 345.531 3.686 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137736180 1138872812 /nfs/dbraw/zinc/87/28/12/1138872812.db2.gz OXHQAXYAWIPQPT-LJQANCHMSA-N 2 1 345.531 3.686 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137736180 1138872826 /nfs/dbraw/zinc/87/28/26/1138872826.db2.gz OXHQAXYAWIPQPT-LJQANCHMSA-N 2 1 345.531 3.686 20 0 EHADMP Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000153086756 1139121613 /nfs/dbraw/zinc/12/16/13/1139121613.db2.gz CLGAURDOBMIKQI-HSROGRKHSA-N 2 1 330.516 3.781 20 0 EHADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953333 1139388509 /nfs/dbraw/zinc/38/85/09/1139388509.db2.gz NJZLIVVFACLACK-OAHLLOKOSA-N 2 1 338.442 3.603 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000174450935 1139421194 /nfs/dbraw/zinc/42/11/94/1139421194.db2.gz HDZMLKFQTFVLPS-UHFFFAOYSA-N 2 1 341.480 3.966 20 0 EHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177067031 1139595265 /nfs/dbraw/zinc/59/52/65/1139595265.db2.gz UMRDQLARGPPHQX-SFHVURJKSA-N 2 1 343.515 3.650 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2ccccc2c1 ZINC000177302768 1139611528 /nfs/dbraw/zinc/61/15/28/1139611528.db2.gz XZKVXDRPTKYWPC-SFHVURJKSA-N 2 1 325.500 3.518 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000177814078 1139643604 /nfs/dbraw/zinc/64/36/04/1139643604.db2.gz RILGYTPVJFGTKP-AAEUAGOBSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814078 1139643606 /nfs/dbraw/zinc/64/36/06/1139643606.db2.gz RILGYTPVJFGTKP-AAEUAGOBSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814078 1139643608 /nfs/dbraw/zinc/64/36/08/1139643608.db2.gz RILGYTPVJFGTKP-AAEUAGOBSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000178039416 1139664488 /nfs/dbraw/zinc/66/44/88/1139664488.db2.gz WEETWLUBVGOWBE-XHSDSOJGSA-N 2 1 347.528 3.836 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180442537 1139835996 /nfs/dbraw/zinc/83/59/96/1139835996.db2.gz UQHPAQFZRQHUJW-NVXWUHKLSA-N 2 1 336.483 3.764 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000180515457 1139839817 /nfs/dbraw/zinc/83/98/17/1139839817.db2.gz CDWNOJDMCQNGMX-OAQYLSRUSA-N 2 1 338.495 3.603 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000181952044 1139941942 /nfs/dbraw/zinc/94/19/42/1139941942.db2.gz JSKAVYZWUASZOO-IRXDYDNUSA-N 2 1 331.504 3.808 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000182262257 1139961551 /nfs/dbraw/zinc/96/15/51/1139961551.db2.gz OBXALMZRZFZSPM-NQIIRXRSSA-N 2 1 338.495 3.721 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)s1 ZINC000182272293 1139962591 /nfs/dbraw/zinc/96/25/91/1139962591.db2.gz IVHJOJQASVCDLJ-BEFAXECRSA-N 2 1 344.524 3.782 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186371233 1140200332 /nfs/dbraw/zinc/20/03/32/1140200332.db2.gz RFSFHHCCBODQFP-UHFFFAOYSA-N 2 1 332.488 3.686 20 0 EHADMP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197065 1140243589 /nfs/dbraw/zinc/24/35/89/1140243589.db2.gz ZMPYNZUYXAOXIT-FXAWDEMLSA-N 2 1 349.950 3.545 20 0 EHADMP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197065 1140243593 /nfs/dbraw/zinc/24/35/93/1140243593.db2.gz ZMPYNZUYXAOXIT-FXAWDEMLSA-N 2 1 349.950 3.545 20 0 EHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccc(F)c1 ZINC000188115183 1140283676 /nfs/dbraw/zinc/28/36/76/1140283676.db2.gz GOTINULCIMWWRU-LJQANCHMSA-N 2 1 342.462 3.942 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(F)cccc1Br ZINC000192592168 1140539203 /nfs/dbraw/zinc/53/92/03/1140539203.db2.gz VLWRBJUOXWGPLD-UHFFFAOYSA-N 2 1 340.240 3.663 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000193937245 1140590956 /nfs/dbraw/zinc/59/09/56/1140590956.db2.gz HJPWFZHFWWLODC-QHAWAJNXSA-N 2 1 340.511 3.588 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000268802814 1140996117 /nfs/dbraw/zinc/99/61/17/1140996117.db2.gz IACKRQHCPUIMPL-JOCHJYFZSA-N 2 1 345.575 3.651 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010025 /nfs/dbraw/zinc/01/00/25/1141010025.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010034 /nfs/dbraw/zinc/01/00/34/1141010034.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010038 /nfs/dbraw/zinc/01/00/38/1141010038.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010046 /nfs/dbraw/zinc/01/00/46/1141010046.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010053 /nfs/dbraw/zinc/01/00/53/1141010053.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010060 /nfs/dbraw/zinc/01/00/60/1141010060.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855646 1141010068 /nfs/dbraw/zinc/01/00/68/1141010068.db2.gz GSFLSRRFZZKZQL-HJNYFJLDSA-N 3 1 343.559 3.607 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000268867116 1141012536 /nfs/dbraw/zinc/01/25/36/1141012536.db2.gz UGLLJYPOAPVXLW-SFHVURJKSA-N 2 1 344.524 3.715 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271551323 1141395755 /nfs/dbraw/zinc/39/57/55/1141395755.db2.gz VXDFXQSXXZMTCP-ZBYUQBLASA-N 2 1 343.298 3.632 20 0 EHADMP CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349014339 1141622844 /nfs/dbraw/zinc/62/28/44/1141622844.db2.gz WXWBKXNWAILPDE-UHFFFAOYSA-N 2 1 340.393 3.512 20 0 EHADMP CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349014339 1141622846 /nfs/dbraw/zinc/62/28/46/1141622846.db2.gz WXWBKXNWAILPDE-UHFFFAOYSA-N 2 1 340.393 3.512 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Br)c1 ZINC000038098162 213200825 /nfs/dbraw/zinc/20/08/25/213200825.db2.gz YYEOYPITQBSTIZ-INIZCTEOSA-N 2 1 325.294 3.974 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000037786420 213166879 /nfs/dbraw/zinc/16/68/79/213166879.db2.gz AQQPJJUXPNBIDH-UHFFFAOYSA-N 2 1 325.294 3.802 20 0 EHADMP Cc1cc2[nH]ccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164628470 719082539 /nfs/dbraw/zinc/08/25/39/719082539.db2.gz RUWJOMPLJJDMKI-NQIIRXRSSA-N 2 1 346.478 3.972 20 0 EHADMP Cc1[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc2[nH]ccc21 ZINC001164627975 719093125 /nfs/dbraw/zinc/09/31/25/719093125.db2.gz LNRSFIBQAQCMAN-RXVVDRJESA-N 2 1 346.478 3.972 20 0 EHADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164635489 719212174 /nfs/dbraw/zinc/21/21/74/719212174.db2.gz IQJRVPISIZBDME-IRXDYDNUSA-N 2 1 334.467 3.613 20 0 EHADMP C([NH+]1CCC[C@@H]1C1CCC1)C1(C[N@H+]2CCC[C@H]2C2CCC2)COC1 ZINC000182124906 1032067248 /nfs/dbraw/zinc/06/72/48/1032067248.db2.gz LFIXGLBXNRYXMN-BGYRXZFFSA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@H]1C1CCC1)C1(C[N@@H+]2CCC[C@@H]2C2CCC2)COC1 ZINC000182124906 1032067264 /nfs/dbraw/zinc/06/72/64/1032067264.db2.gz LFIXGLBXNRYXMN-BGYRXZFFSA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@H]1C1CCC1)C1(C[N@H+]2CCC[C@@H]2C2CCC2)COC1 ZINC000182124906 1032067281 /nfs/dbraw/zinc/06/72/81/1032067281.db2.gz LFIXGLBXNRYXMN-BGYRXZFFSA-N 2 1 332.532 3.532 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000153832242 1014137547 /nfs/dbraw/zinc/13/75/47/1014137547.db2.gz HJLNCUMHGNPVBY-BJLQDIEVSA-N 2 1 329.532 3.722 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430146836 1014399741 /nfs/dbraw/zinc/39/97/41/1014399741.db2.gz MQRQQQFBIGJEHS-HVEPWOEZSA-N 2 1 336.426 3.719 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430146836 1014399745 /nfs/dbraw/zinc/39/97/45/1014399745.db2.gz MQRQQQFBIGJEHS-HVEPWOEZSA-N 2 1 336.426 3.719 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430146836 1014399754 /nfs/dbraw/zinc/39/97/54/1014399754.db2.gz MQRQQQFBIGJEHS-HVEPWOEZSA-N 2 1 336.426 3.719 20 0 EHADMP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000172534375 1014578502 /nfs/dbraw/zinc/57/85/02/1014578502.db2.gz CNFZTRDFWJZNAT-UHFFFAOYSA-N 2 1 332.822 3.715 20 0 EHADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526393 1032098541 /nfs/dbraw/zinc/09/85/41/1032098541.db2.gz AWTPHJGEEXTDNT-WMLDXEAASA-N 2 1 328.460 3.768 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227820619 1015334756 /nfs/dbraw/zinc/33/47/56/1015334756.db2.gz FXERRGWPMLQIOU-QMMMGPOBSA-N 2 1 325.703 3.594 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811924 1015984333 /nfs/dbraw/zinc/98/43/33/1015984333.db2.gz WVRTWFIPPZHZCK-ZIAGYGMSSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811924 1015984339 /nfs/dbraw/zinc/98/43/39/1015984339.db2.gz WVRTWFIPPZHZCK-ZIAGYGMSSA-N 2 1 325.294 3.625 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)CC[N@H+]1C ZINC000155031863 1016062812 /nfs/dbraw/zinc/06/28/12/1016062812.db2.gz RBLJGMZQWJOGJZ-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000163585900 1016387423 /nfs/dbraw/zinc/38/74/23/1016387423.db2.gz PRKHGDZDJQYZAY-UZLBHIALSA-N 2 1 349.950 3.624 20 0 EHADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000624121128 1016695121 /nfs/dbraw/zinc/69/51/21/1016695121.db2.gz OPEUZRCKFCLBED-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000275399846 1016695687 /nfs/dbraw/zinc/69/56/87/1016695687.db2.gz CKPWYKPFZMKNHF-STQMWFEESA-N 2 1 334.261 3.559 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340250928 1016781817 /nfs/dbraw/zinc/78/18/17/1016781817.db2.gz QBSILMCSTBTQBZ-ZWKOTPCHSA-N 2 1 332.488 3.533 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340250928 1016781827 /nfs/dbraw/zinc/78/18/27/1016781827.db2.gz QBSILMCSTBTQBZ-ZWKOTPCHSA-N 2 1 332.488 3.533 20 0 EHADMP CC[N@H+]1CCC[C@@H](CNCc2cnc(-c3ccccc3F)s2)C1 ZINC000449104531 1032183851 /nfs/dbraw/zinc/18/38/51/1032183851.db2.gz GDOPGBIUSXDASF-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449104531 1032183859 /nfs/dbraw/zinc/18/38/59/1032183859.db2.gz GDOPGBIUSXDASF-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCCC2)c(F)c1 ZINC000459496939 1032192254 /nfs/dbraw/zinc/19/22/54/1032192254.db2.gz IBZMIEYZGDSSQK-UHFFFAOYSA-N 2 1 334.454 3.993 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449094741 1032205078 /nfs/dbraw/zinc/20/50/78/1032205078.db2.gz TXRWSTJVCXNMGX-GOSISDBHSA-N 2 1 343.540 3.750 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449094741 1032205092 /nfs/dbraw/zinc/20/50/92/1032205092.db2.gz TXRWSTJVCXNMGX-GOSISDBHSA-N 2 1 343.540 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000379638715 1032231088 /nfs/dbraw/zinc/23/10/88/1032231088.db2.gz AKUDKRYQWQYUDZ-DUXKGJEZSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000379638715 1032231094 /nfs/dbraw/zinc/23/10/94/1032231094.db2.gz AKUDKRYQWQYUDZ-DUXKGJEZSA-N 2 1 336.479 3.633 20 0 EHADMP OCCCC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459534210 1032253118 /nfs/dbraw/zinc/25/31/18/1032253118.db2.gz LOPHVLYSPWLFCZ-QFIPXVFZSA-N 2 1 344.543 3.916 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000184150372 1032258611 /nfs/dbraw/zinc/25/86/11/1032258611.db2.gz LTHPNXKNICPAKW-OAQYLSRUSA-N 2 1 330.516 3.744 20 0 EHADMP FC(F)(F)[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459597219 1032317805 /nfs/dbraw/zinc/31/78/05/1032317805.db2.gz VTYPXPGKTGMPGV-QGZVFWFLSA-N 2 1 326.406 3.939 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000905131130 1032358738 /nfs/dbraw/zinc/35/87/38/1032358738.db2.gz CIHXPZQGWQWURW-NSHGMRRFSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000905131130 1032358749 /nfs/dbraw/zinc/35/87/49/1032358749.db2.gz CIHXPZQGWQWURW-NSHGMRRFSA-N 2 1 344.524 3.763 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329568 1032440959 /nfs/dbraw/zinc/44/09/59/1032440959.db2.gz ISTCWVIVZJVYLQ-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329568 1032440969 /nfs/dbraw/zinc/44/09/69/1032440969.db2.gz ISTCWVIVZJVYLQ-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329568 1032440982 /nfs/dbraw/zinc/44/09/82/1032440982.db2.gz ISTCWVIVZJVYLQ-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329568 1032440988 /nfs/dbraw/zinc/44/09/88/1032440988.db2.gz ISTCWVIVZJVYLQ-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP Cc1cc(Br)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459783455 1032467030 /nfs/dbraw/zinc/46/70/30/1032467030.db2.gz NEZHFMOATHPKFQ-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP CS[C@@H]1CCCC[NH+](CCC[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000118971629 1032484598 /nfs/dbraw/zinc/48/45/98/1032484598.db2.gz BDXRZWJEGKIEFL-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP CS[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCC[C@H](SC)C2)C1 ZINC000118971629 1032484602 /nfs/dbraw/zinc/48/46/02/1032484602.db2.gz BDXRZWJEGKIEFL-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP CS[C@@H]1CCCC[N@H+](CCC[NH+]2CCCC[C@H](SC)C2)C1 ZINC000118971629 1032484607 /nfs/dbraw/zinc/48/46/07/1032484607.db2.gz BDXRZWJEGKIEFL-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261878092 1032566524 /nfs/dbraw/zinc/56/65/24/1032566524.db2.gz MENATTJAWAREGH-WXYCVUISSA-N 2 1 328.378 3.705 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534940 1032568512 /nfs/dbraw/zinc/56/85/12/1032568512.db2.gz WUALARPBEIVFAL-BEFAXECRSA-N 2 1 346.519 3.728 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324500742 1017209665 /nfs/dbraw/zinc/20/96/65/1017209665.db2.gz LBZIIOKLNXGTFE-HOCLYGCPSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324500742 1017209673 /nfs/dbraw/zinc/20/96/73/1017209673.db2.gz LBZIIOKLNXGTFE-HOCLYGCPSA-N 2 1 328.378 3.549 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468557509 1017359373 /nfs/dbraw/zinc/35/93/73/1017359373.db2.gz YYDDVOCYQJAGIZ-YRGRVCCFSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468557509 1017359385 /nfs/dbraw/zinc/35/93/85/1017359385.db2.gz YYDDVOCYQJAGIZ-YRGRVCCFSA-N 2 1 343.284 3.592 20 0 EHADMP Fc1ccc2c(c1)CCN2C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000549150799 1017379986 /nfs/dbraw/zinc/37/99/86/1017379986.db2.gz PYNCWNFXGWOPEK-UHFFFAOYSA-N 2 1 345.506 3.529 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655707969 1017441735 /nfs/dbraw/zinc/44/17/35/1017441735.db2.gz BWAWOTQNFIILLN-SFTDATJTSA-N 2 1 346.490 3.900 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655707968 1017441753 /nfs/dbraw/zinc/44/17/53/1017441753.db2.gz BWAWOTQNFIILLN-RTWAWAEBSA-N 2 1 346.490 3.900 20 0 EHADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655718764 1017456081 /nfs/dbraw/zinc/45/60/81/1017456081.db2.gz MBZQOZGNMVMURR-HYVNUMGLSA-N 2 1 348.453 3.588 20 0 EHADMP CC(C)C[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415051194 1017460510 /nfs/dbraw/zinc/46/05/10/1017460510.db2.gz JDLAAABFSSPRMH-HWELCPFYSA-N 2 1 343.559 3.622 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OCC ZINC000415053136 1017461722 /nfs/dbraw/zinc/46/17/22/1017461722.db2.gz ODUUHKRXRXSEGW-OALUTQOASA-N 2 1 346.515 3.838 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC ZINC000415054650 1017478402 /nfs/dbraw/zinc/47/84/02/1017478402.db2.gz QFLPMTBPCYGLRP-RTBURBONSA-N 2 1 346.515 3.838 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070124 1017500710 /nfs/dbraw/zinc/50/07/10/1017500710.db2.gz UNBLMKTWLFZZOD-ZBEGNZNMSA-N 2 1 343.284 3.626 20 0 EHADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000415088103 1017533895 /nfs/dbraw/zinc/53/38/95/1017533895.db2.gz LOTZRYJJVXMYPR-SOUVJXGZSA-N 2 1 338.467 3.804 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CCCO1 ZINC000415105022 1017548040 /nfs/dbraw/zinc/54/80/40/1017548040.db2.gz FPEIGYNDHBNWGP-OAHLLOKOSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CCCO1 ZINC000415105022 1017548047 /nfs/dbraw/zinc/54/80/47/1017548047.db2.gz FPEIGYNDHBNWGP-OAHLLOKOSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCCO1 ZINC000415115121 1017569702 /nfs/dbraw/zinc/56/97/02/1017569702.db2.gz UIJNBEAMEXXUTG-OAHLLOKOSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCCO1 ZINC000415115121 1017569713 /nfs/dbraw/zinc/56/97/13/1017569713.db2.gz UIJNBEAMEXXUTG-OAHLLOKOSA-N 2 1 336.888 3.618 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275602338 1017573461 /nfs/dbraw/zinc/57/34/61/1017573461.db2.gz QKSWFSLWRYIJPX-HOCLYGCPSA-N 2 1 349.425 3.658 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000415136793 1017600622 /nfs/dbraw/zinc/60/06/22/1017600622.db2.gz SDNJHZMWNOOKOI-UHFFFAOYSA-N 2 1 348.922 4.000 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000415136793 1017600628 /nfs/dbraw/zinc/60/06/28/1017600628.db2.gz SDNJHZMWNOOKOI-UHFFFAOYSA-N 2 1 348.922 4.000 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000537446597 1032737871 /nfs/dbraw/zinc/73/78/71/1032737871.db2.gz UDBRDRSCVDUDGY-WIYYLYMNSA-N 2 1 347.547 3.606 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)c2ccsc2)CC1 ZINC000340494653 1018149763 /nfs/dbraw/zinc/14/97/63/1018149763.db2.gz FOPDURLPOCRVFU-SOAGJPPSSA-N 2 1 344.524 3.814 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000893019726 1018180501 /nfs/dbraw/zinc/18/05/01/1018180501.db2.gz MDJBEEOBQSKJQP-MPLMCADHSA-N 2 1 336.545 3.926 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000893019726 1018180510 /nfs/dbraw/zinc/18/05/10/1018180510.db2.gz MDJBEEOBQSKJQP-MPLMCADHSA-N 2 1 336.545 3.926 20 0 EHADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582499 1018585140 /nfs/dbraw/zinc/58/51/40/1018585140.db2.gz FRXDTQQZCYLEPQ-HNNXBMFYSA-N 2 1 331.287 3.539 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582499 1018585155 /nfs/dbraw/zinc/58/51/55/1018585155.db2.gz FRXDTQQZCYLEPQ-HNNXBMFYSA-N 2 1 331.287 3.539 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894164348 1018798200 /nfs/dbraw/zinc/79/82/00/1018798200.db2.gz GSZHFMKBPDYSGF-LLVKDONJSA-N 2 1 334.876 3.881 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167936996 1019238223 /nfs/dbraw/zinc/23/82/23/1019238223.db2.gz QIEZPZLQQKTSCY-PLACYPQZSA-N 2 1 340.511 3.540 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000125508842 1019315941 /nfs/dbraw/zinc/31/59/41/1019315941.db2.gz HXBMFFZXVIRPGM-QGZVFWFLSA-N 2 1 340.515 3.553 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000125508842 1019315956 /nfs/dbraw/zinc/31/59/56/1019315956.db2.gz HXBMFFZXVIRPGM-QGZVFWFLSA-N 2 1 340.515 3.553 20 0 EHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405705 1019426513 /nfs/dbraw/zinc/42/65/13/1019426513.db2.gz JELRHHBXHZDLKY-VQTJNVASSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405705 1019426523 /nfs/dbraw/zinc/42/65/23/1019426523.db2.gz JELRHHBXHZDLKY-VQTJNVASSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405705 1019426536 /nfs/dbraw/zinc/42/65/36/1019426536.db2.gz JELRHHBXHZDLKY-VQTJNVASSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405705 1019426549 /nfs/dbraw/zinc/42/65/49/1019426549.db2.gz JELRHHBXHZDLKY-VQTJNVASSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405705 1019426559 /nfs/dbraw/zinc/42/65/59/1019426559.db2.gz JELRHHBXHZDLKY-VQTJNVASSA-N 2 1 332.532 3.628 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513223542 1019441543 /nfs/dbraw/zinc/44/15/43/1019441543.db2.gz NAQJQAOKYQFDBE-AZUAARDMSA-N 2 1 332.532 3.960 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513223542 1019441549 /nfs/dbraw/zinc/44/15/49/1019441549.db2.gz NAQJQAOKYQFDBE-AZUAARDMSA-N 2 1 332.532 3.960 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000656258291 1019722223 /nfs/dbraw/zinc/72/22/23/1019722223.db2.gz QUTSHCHMPLVJJC-UHFFFAOYSA-N 2 1 338.499 3.549 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H]2CCC[C@@H]21 ZINC000580883064 1020177386 /nfs/dbraw/zinc/17/73/86/1020177386.db2.gz CMKPYXTZHSXAAW-IPYPFGDCSA-N 2 1 335.904 3.912 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H]2CCC[C@@H]21 ZINC000580883064 1020177388 /nfs/dbraw/zinc/17/73/88/1020177388.db2.gz CMKPYXTZHSXAAW-IPYPFGDCSA-N 2 1 335.904 3.912 20 0 EHADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001167442284 1020350793 /nfs/dbraw/zinc/35/07/93/1020350793.db2.gz CCGJQACBBKLPQG-TZIWHRDSSA-N 2 1 330.516 3.790 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH2+]C)cc2)cc1)C(C)C ZINC000581192834 1020511408 /nfs/dbraw/zinc/51/14/08/1020511408.db2.gz HSGVMNTWXOJKCU-UHFFFAOYSA-N 2 1 339.483 3.889 20 0 EHADMP Cc1ccc([C@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000501075113 1020695616 /nfs/dbraw/zinc/69/56/16/1020695616.db2.gz AJRXMWAXQVFUCP-FQEVSTJZSA-N 2 1 331.548 3.712 20 0 EHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000501111104 1020712069 /nfs/dbraw/zinc/71/20/69/1020712069.db2.gz LUIBELNUJDQZHR-JOCHJYFZSA-N 2 1 343.559 3.802 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)CC1 ZINC000154891854 1020947468 /nfs/dbraw/zinc/94/74/68/1020947468.db2.gz FNWKZILAFYRJNS-YFVAEKQCSA-N 2 1 330.516 3.659 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]21 ZINC000261970293 1021170276 /nfs/dbraw/zinc/17/02/76/1021170276.db2.gz YYMSQHGLIPWZKN-FVQBIDKESA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]21 ZINC000261970293 1021170280 /nfs/dbraw/zinc/17/02/80/1021170280.db2.gz YYMSQHGLIPWZKN-FVQBIDKESA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]21 ZINC000261971029 1021177210 /nfs/dbraw/zinc/17/72/10/1021177210.db2.gz YYMSQHGLIPWZKN-VNQPRFMTSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]21 ZINC000261971029 1021177214 /nfs/dbraw/zinc/17/72/14/1021177214.db2.gz YYMSQHGLIPWZKN-VNQPRFMTSA-N 2 1 331.847 3.554 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507402474 1021253381 /nfs/dbraw/zinc/25/33/81/1021253381.db2.gz MLYIWAMAPRMHOP-KBMXLJTQSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000507471831 1021286282 /nfs/dbraw/zinc/28/62/82/1021286282.db2.gz PULLHYNVGIQPJU-BBTUJRGHSA-N 2 1 330.516 3.966 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000507483216 1021301022 /nfs/dbraw/zinc/30/10/22/1021301022.db2.gz GXXBKAGWTVAYKP-NJDAHSKKSA-N 2 1 342.527 3.693 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785985 1021334353 /nfs/dbraw/zinc/33/43/53/1021334353.db2.gz OVHOXOMBZXOFMF-QGZVFWFLSA-N 2 1 327.447 3.586 20 0 EHADMP Cc1nc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2s1 ZINC000426397901 1021491483 /nfs/dbraw/zinc/49/14/83/1021491483.db2.gz VLQZJFKULPGXJZ-QGZVFWFLSA-N 2 1 329.513 3.913 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2s1 ZINC000426397901 1021491486 /nfs/dbraw/zinc/49/14/86/1021491486.db2.gz VLQZJFKULPGXJZ-QGZVFWFLSA-N 2 1 329.513 3.913 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173058 1021509416 /nfs/dbraw/zinc/50/94/16/1021509416.db2.gz UURCFPQFAIHDOU-TZIWHRDSSA-N 2 1 341.543 3.505 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173058 1021509428 /nfs/dbraw/zinc/50/94/28/1021509428.db2.gz UURCFPQFAIHDOU-TZIWHRDSSA-N 2 1 341.543 3.505 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000426417920 1021534832 /nfs/dbraw/zinc/53/48/32/1021534832.db2.gz UZHJPJQWCLSTSN-KRWDZBQOSA-N 2 1 347.528 3.537 20 0 EHADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430646396 1021598201 /nfs/dbraw/zinc/59/82/01/1021598201.db2.gz PEPXAEANSJFPGA-OAHLLOKOSA-N 2 1 332.394 3.928 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430646396 1021598209 /nfs/dbraw/zinc/59/82/09/1021598209.db2.gz PEPXAEANSJFPGA-OAHLLOKOSA-N 2 1 332.394 3.928 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(F)(F)CC3)c2)CCO1 ZINC000647175548 1021631736 /nfs/dbraw/zinc/63/17/36/1021631736.db2.gz WPLDIGJFZKNIRW-HNNXBMFYSA-N 2 1 338.442 3.575 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(F)(F)CC3)c2)CCO1 ZINC000647175548 1021631742 /nfs/dbraw/zinc/63/17/42/1021631742.db2.gz WPLDIGJFZKNIRW-HNNXBMFYSA-N 2 1 338.442 3.575 20 0 EHADMP Cc1[nH+]ccn1CCS[C@@H](C)[C@H](C)SCCn1cc[nH+]c1C ZINC000276540607 1021679407 /nfs/dbraw/zinc/67/94/07/1021679407.db2.gz HIGLJYAMSCYAQP-KBPBESRZSA-N 2 1 338.546 3.640 20 0 EHADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439911379 1021821691 /nfs/dbraw/zinc/82/16/91/1021821691.db2.gz SGTCDWMXIGSSSN-FQEVSTJZSA-N 2 1 341.499 3.628 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCCCC1 ZINC000519381389 1022055664 /nfs/dbraw/zinc/05/56/64/1022055664.db2.gz CVOYFCMMPUDVBC-SJORKVTESA-N 2 1 341.421 3.975 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166561 1022084970 /nfs/dbraw/zinc/08/49/70/1022084970.db2.gz JDWLUBGHTIPIMQ-GJZGRUSLSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166561 1022084991 /nfs/dbraw/zinc/08/49/91/1022084991.db2.gz JDWLUBGHTIPIMQ-GJZGRUSLSA-N 2 1 344.421 3.857 20 0 EHADMP CC(C)[N@H+](Cc1cccc(Br)c1)CC1CC[NH2+]CC1 ZINC000094012155 1022087642 /nfs/dbraw/zinc/08/76/42/1022087642.db2.gz RZEFFEJHATYSRD-UHFFFAOYSA-N 2 1 325.294 3.659 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000291063857 1022172521 /nfs/dbraw/zinc/17/25/21/1022172521.db2.gz DIWFGOLLCAFXOK-NRSPTQNISA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000291063857 1022172529 /nfs/dbraw/zinc/17/25/29/1022172529.db2.gz DIWFGOLLCAFXOK-NRSPTQNISA-N 2 1 330.516 3.978 20 0 EHADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000388761904 1022206971 /nfs/dbraw/zinc/20/69/71/1022206971.db2.gz NTAVXNRDYXMYKY-KVJIRVJXSA-N 2 1 348.490 3.880 20 0 EHADMP Clc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441392904 1022210830 /nfs/dbraw/zinc/21/08/30/1022210830.db2.gz KNTNMYVTMQAWFP-KXBFYZLASA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441392904 1022210835 /nfs/dbraw/zinc/21/08/35/1022210835.db2.gz KNTNMYVTMQAWFP-KXBFYZLASA-N 2 1 334.891 3.668 20 0 EHADMP Clc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409431 1022220154 /nfs/dbraw/zinc/22/01/54/1022220154.db2.gz OCCQUVFKTXYYRP-DNVCBOLYSA-N 2 1 334.891 3.668 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCS2 ZINC000187718426 1022225418 /nfs/dbraw/zinc/22/54/18/1022225418.db2.gz BKNCVFRGAOMHKB-SFHVURJKSA-N 2 1 332.513 3.839 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000126938981 1022257311 /nfs/dbraw/zinc/25/73/11/1022257311.db2.gz BAWLEOAHKHQQAX-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000126938981 1022257318 /nfs/dbraw/zinc/25/73/18/1022257318.db2.gz BAWLEOAHKHQQAX-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126941967 1022257839 /nfs/dbraw/zinc/25/78/39/1022257839.db2.gz CULKIVRXVLFQFJ-NEPJUHHUSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126941967 1022257843 /nfs/dbraw/zinc/25/78/43/1022257843.db2.gz CULKIVRXVLFQFJ-NEPJUHHUSA-N 2 1 341.268 3.723 20 0 EHADMP COCCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000473922157 1022285737 /nfs/dbraw/zinc/28/57/37/1022285737.db2.gz XVJRPBLABODDOD-UHFFFAOYSA-N 2 1 346.515 3.599 20 0 EHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276688643 1022291747 /nfs/dbraw/zinc/29/17/47/1022291747.db2.gz RUPZNIUPSOPHOQ-INIZCTEOSA-N 2 1 335.451 3.989 20 0 EHADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000437976654 1022299954 /nfs/dbraw/zinc/29/99/54/1022299954.db2.gz KSETWKBXSSTLSQ-WERVVEIQSA-N 2 1 346.563 3.951 20 0 EHADMP CC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455311 1022313801 /nfs/dbraw/zinc/31/38/01/1022313801.db2.gz DJDBPWOZYXGJEW-UHFFFAOYSA-N 2 1 326.488 3.692 20 0 EHADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000414922100 1022381125 /nfs/dbraw/zinc/38/11/25/1022381125.db2.gz BWDPKLDAYYIEMC-SNVBAGLBSA-N 2 1 325.275 3.614 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC(F)F ZINC000119860030 1022391066 /nfs/dbraw/zinc/39/10/66/1022391066.db2.gz RNKDZNYCHBVUJQ-UHFFFAOYSA-N 2 1 342.430 3.649 20 0 EHADMP CSc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972797 1022462523 /nfs/dbraw/zinc/46/25/23/1022462523.db2.gz BRHRQLMIHCTLHK-AYHJJNSGSA-N 2 1 346.540 3.782 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401046141 1022569407 /nfs/dbraw/zinc/56/94/07/1022569407.db2.gz MGKZGIZPUJPKKN-PZJWPPBQSA-N 2 1 337.511 3.741 20 0 EHADMP C[N@@H+](Cc1cc(Br)ccc1Cl)C1CCC([NH3+])CC1 ZINC000226429207 1033073079 /nfs/dbraw/zinc/07/30/79/1033073079.db2.gz PQIQKTIUXBCIIW-UHFFFAOYSA-N 2 1 331.685 3.804 20 0 EHADMP CC1(C)C[N@@H+](C[C@H]2CCCO2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837145 1022701392 /nfs/dbraw/zinc/70/13/92/1022701392.db2.gz GBBNRHSYVVHPHS-RTWAWAEBSA-N 2 1 342.527 3.788 20 0 EHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000548392754 1022807551 /nfs/dbraw/zinc/80/75/51/1022807551.db2.gz SDFYLVLJVXXYQS-UHFFFAOYSA-N 2 1 331.504 3.650 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)cc(OC)c1OC ZINC000894779331 1022893537 /nfs/dbraw/zinc/89/35/37/1022893537.db2.gz GJVKXBIJPYCJDF-UHFFFAOYSA-N 2 1 345.487 3.683 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)cc(OC)c1OC ZINC000894779331 1022893554 /nfs/dbraw/zinc/89/35/54/1022893554.db2.gz GJVKXBIJPYCJDF-UHFFFAOYSA-N 2 1 345.487 3.683 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OCc1cccs1 ZINC000414943016 1022931259 /nfs/dbraw/zinc/93/12/59/1022931259.db2.gz FBLZPAOGDPHJIR-ZBFHGGJFSA-N 2 1 346.496 3.566 20 0 EHADMP Clc1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000506942600 1023016482 /nfs/dbraw/zinc/01/64/82/1023016482.db2.gz KOEGRRCHJAOCCW-UHFFFAOYSA-N 2 1 343.298 3.538 20 0 EHADMP Fc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000063198124 1033102059 /nfs/dbraw/zinc/10/20/59/1033102059.db2.gz LXKDGQMTUVWXRT-MRXNPFEDSA-N 2 1 341.268 3.552 20 0 EHADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414963516 1023101305 /nfs/dbraw/zinc/10/13/05/1023101305.db2.gz KXDLNFIOKVFCRL-ILWGZMRPSA-N 2 1 335.495 3.577 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000414972194 1023178735 /nfs/dbraw/zinc/17/87/35/1023178735.db2.gz AGJLHKPLCDBPHD-QGZVFWFLSA-N 2 1 348.874 3.755 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000414974014 1023202714 /nfs/dbraw/zinc/20/27/14/1023202714.db2.gz CUMXBHFAXRSCTA-UHFFFAOYSA-N 2 1 335.495 3.799 20 0 EHADMP CCC[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431084205 1023238407 /nfs/dbraw/zinc/23/84/07/1023238407.db2.gz KBHHFBNXMIZYOF-UHFFFAOYSA-N 2 1 339.483 3.632 20 0 EHADMP Cc1cc[nH+]c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000091676287 1023293551 /nfs/dbraw/zinc/29/35/51/1023293551.db2.gz IBYIRUQIDFQQGC-UHFFFAOYSA-N 2 1 336.483 3.534 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000510944284 1023525838 /nfs/dbraw/zinc/52/58/38/1023525838.db2.gz IUNSGTWNXCIVIK-INIZCTEOSA-N 2 1 342.487 3.712 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(F)F ZINC000647226644 1023749140 /nfs/dbraw/zinc/74/91/40/1023749140.db2.gz PUOJDQQFXUUPJI-CQSZACIVSA-N 2 1 328.422 3.714 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000657182876 1023917725 /nfs/dbraw/zinc/91/77/25/1023917725.db2.gz XIVPBTHQWKVKHR-IRXDYDNUSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@@H]1C(=O)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C12CCCC2 ZINC001168002145 1024025370 /nfs/dbraw/zinc/02/53/70/1024025370.db2.gz NRGYGHIUZUCBPM-YJJAZYOBSA-N 2 1 330.516 3.616 20 0 EHADMP C[C@@H]1C(=O)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C12CCCC2 ZINC001168002145 1024025385 /nfs/dbraw/zinc/02/53/85/1024025385.db2.gz NRGYGHIUZUCBPM-YJJAZYOBSA-N 2 1 330.516 3.616 20 0 EHADMP C[C@@H]1C(=O)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C12CCCC2 ZINC001168002145 1024025397 /nfs/dbraw/zinc/02/53/97/1024025397.db2.gz NRGYGHIUZUCBPM-YJJAZYOBSA-N 2 1 330.516 3.616 20 0 EHADMP C[C@@H]1C(=O)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C12CCCC2 ZINC001168002145 1024025412 /nfs/dbraw/zinc/02/54/12/1024025412.db2.gz NRGYGHIUZUCBPM-YJJAZYOBSA-N 2 1 330.516 3.616 20 0 EHADMP C[NH2+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001168004344 1024198651 /nfs/dbraw/zinc/19/86/51/1024198651.db2.gz UDDWCILUKRPXQW-YOFSQIOKSA-N 2 1 337.511 3.981 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044279 1024253326 /nfs/dbraw/zinc/25/33/26/1024253326.db2.gz GUCGIHNOWDZZMX-CTNGQTDRSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@H]([NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC001168023128 1024255402 /nfs/dbraw/zinc/25/54/02/1024255402.db2.gz VLNZUAMSIPJIMG-ZACQAIPSSA-N 2 1 326.488 3.512 20 0 EHADMP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC001168023128 1024255420 /nfs/dbraw/zinc/25/54/20/1024255420.db2.gz VLNZUAMSIPJIMG-ZACQAIPSSA-N 2 1 326.488 3.512 20 0 EHADMP CN(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434680201 1024278758 /nfs/dbraw/zinc/27/87/58/1024278758.db2.gz IABWZXJRYYXVEJ-UHFFFAOYSA-N 2 1 338.499 3.535 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443966575 1024279778 /nfs/dbraw/zinc/27/97/78/1024279778.db2.gz LCJUIXYKSROKIU-UHFFFAOYSA-N 2 1 343.418 3.903 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443966575 1024279788 /nfs/dbraw/zinc/27/97/88/1024279788.db2.gz LCJUIXYKSROKIU-UHFFFAOYSA-N 2 1 343.418 3.903 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(O)CCC(C)CC2)cc1 ZINC000183678109 1024288203 /nfs/dbraw/zinc/28/82/03/1024288203.db2.gz WLBKPIAEHRJTMZ-LFDOHDQPSA-N 2 1 327.472 3.773 20 0 EHADMP CC(C)[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)[NH+]1CCOCC1 ZINC000248293863 1024318302 /nfs/dbraw/zinc/31/83/02/1024318302.db2.gz VPOYFZBUJAMYTB-GOSISDBHSA-N 2 1 333.863 3.657 20 0 EHADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511007704 1024414789 /nfs/dbraw/zinc/41/47/89/1024414789.db2.gz BWWOZXVIHFFQQZ-VQTJNVASSA-N 2 1 332.532 3.938 20 0 EHADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511007704 1024414793 /nfs/dbraw/zinc/41/47/93/1024414793.db2.gz BWWOZXVIHFFQQZ-VQTJNVASSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(O)cc(F)c1 ZINC000472035917 1024424920 /nfs/dbraw/zinc/42/49/20/1024424920.db2.gz AVOWWDDOGQHCJA-HZPDHXFCSA-N 2 1 342.458 3.778 20 0 EHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000280893196 1024437625 /nfs/dbraw/zinc/43/76/25/1024437625.db2.gz NYCVAWDPXNJWPB-JKSUJKDBSA-N 2 1 345.487 3.771 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000346144097 1024444328 /nfs/dbraw/zinc/44/43/28/1024444328.db2.gz BPWOHAOVOKRTQZ-DYESRHJHSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2cccnc12 ZINC000346166378 1024481311 /nfs/dbraw/zinc/48/13/11/1024481311.db2.gz IWHPILVLDHAONU-FPOVZHCZSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166378 1024481313 /nfs/dbraw/zinc/48/13/13/1024481313.db2.gz IWHPILVLDHAONU-FPOVZHCZSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166378 1024481314 /nfs/dbraw/zinc/48/13/14/1024481314.db2.gz IWHPILVLDHAONU-FPOVZHCZSA-N 2 1 335.495 3.992 20 0 EHADMP c1coc(C[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]2CCCO2)c1 ZINC000346210422 1024501242 /nfs/dbraw/zinc/50/12/42/1024501242.db2.gz OKCMDRWFAHWVGP-QGZVFWFLSA-N 2 1 343.452 3.708 20 0 EHADMP c1coc(CN(Cc2cc(-n3ccnc3)cs2)C[C@H]2CCCO2)c1 ZINC000346210422 1024501247 /nfs/dbraw/zinc/50/12/47/1024501247.db2.gz OKCMDRWFAHWVGP-QGZVFWFLSA-N 2 1 343.452 3.708 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000247625302 1024506836 /nfs/dbraw/zinc/50/68/36/1024506836.db2.gz NMLHWUBWIJXEAU-XJKSGUPXSA-N 2 1 325.294 3.577 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029640 1024552212 /nfs/dbraw/zinc/55/22/12/1024552212.db2.gz UGZPWPBXLZLXSQ-HVYFLLBWSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168029640 1024552220 /nfs/dbraw/zinc/55/22/20/1024552220.db2.gz UGZPWPBXLZLXSQ-HVYFLLBWSA-N 3 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029640 1024552230 /nfs/dbraw/zinc/55/22/30/1024552230.db2.gz UGZPWPBXLZLXSQ-HVYFLLBWSA-N 3 1 343.559 3.890 20 0 EHADMP Brc1ccccc1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205000765 1024558011 /nfs/dbraw/zinc/55/80/11/1024558011.db2.gz JSPTWGGHXBZGRG-QGZVFWFLSA-N 2 1 337.305 3.976 20 0 EHADMP C[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CCN1c1cc[nH+]cc1 ZINC000895556305 1024609777 /nfs/dbraw/zinc/60/97/77/1024609777.db2.gz HBLFOTJKNXMCBH-AWEZNQCLSA-N 2 1 328.485 3.516 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CCN1c1cc[nH+]cc1 ZINC000895556305 1024609783 /nfs/dbraw/zinc/60/97/83/1024609783.db2.gz HBLFOTJKNXMCBH-AWEZNQCLSA-N 2 1 328.485 3.516 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635793 1024625315 /nfs/dbraw/zinc/62/53/15/1024625315.db2.gz ZGOOUBSCGIUTFP-HIFRSBDPSA-N 2 1 332.875 3.599 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635793 1024625325 /nfs/dbraw/zinc/62/53/25/1024625325.db2.gz ZGOOUBSCGIUTFP-HIFRSBDPSA-N 2 1 332.875 3.599 20 0 EHADMP CCCOc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(OCCC)c1 ZINC000430127330 1024670813 /nfs/dbraw/zinc/67/08/13/1024670813.db2.gz PDGWORDTEUOLPZ-NRFANRHFSA-N 2 1 346.515 3.792 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCC2 ZINC000536423563 1024679936 /nfs/dbraw/zinc/67/99/36/1024679936.db2.gz DDSPOYHMLMXQHD-JOCHJYFZSA-N 2 1 343.559 3.805 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C1CCCCC1 ZINC000657298286 1024728789 /nfs/dbraw/zinc/72/87/89/1024728789.db2.gz OHZKOEHGJVPSRE-OAQYLSRUSA-N 2 1 346.515 3.599 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C1CCCCC1 ZINC000657298286 1024728795 /nfs/dbraw/zinc/72/87/95/1024728795.db2.gz OHZKOEHGJVPSRE-OAQYLSRUSA-N 2 1 346.515 3.599 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCCC1 ZINC000665249147 1024862482 /nfs/dbraw/zinc/86/24/82/1024862482.db2.gz KFMPMHJFQMFWGG-AWEZNQCLSA-N 2 1 339.277 3.524 20 0 EHADMP CCc1ncc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435425032 1024913378 /nfs/dbraw/zinc/91/33/78/1024913378.db2.gz BEBBEGZFGSDKET-INIZCTEOSA-N 2 1 347.553 3.911 20 0 EHADMP CCc1ncc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435425032 1024913384 /nfs/dbraw/zinc/91/33/84/1024913384.db2.gz BEBBEGZFGSDKET-INIZCTEOSA-N 2 1 347.553 3.911 20 0 EHADMP CCOc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346682727 1025002724 /nfs/dbraw/zinc/00/27/24/1025002724.db2.gz PLFJHSQKNGMNAN-HNNXBMFYSA-N 2 1 328.884 3.553 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346682727 1025002731 /nfs/dbraw/zinc/00/27/31/1025002731.db2.gz PLFJHSQKNGMNAN-HNNXBMFYSA-N 2 1 328.884 3.553 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000474479100 1025017536 /nfs/dbraw/zinc/01/75/36/1025017536.db2.gz XQCIDIXLNOIDSM-FJIDUMEYSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000474479100 1025017547 /nfs/dbraw/zinc/01/75/47/1025017547.db2.gz XQCIDIXLNOIDSM-FJIDUMEYSA-N 2 1 348.531 3.906 20 0 EHADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414871788 1025044649 /nfs/dbraw/zinc/04/46/49/1025044649.db2.gz DZXLSPINCAFQTE-PMACEKPBSA-N 2 1 327.447 3.626 20 0 EHADMP CC1CC[NH+](Cc2ccc(-c3noc(C4([NH+](C)C)CC4)n3)cc2)CC1 ZINC000896017838 1025081731 /nfs/dbraw/zinc/08/17/31/1025081731.db2.gz RNCYHOUGTKRXHZ-UHFFFAOYSA-N 2 1 340.471 3.519 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000277461429 1025185097 /nfs/dbraw/zinc/18/50/97/1025185097.db2.gz LKEDFZLJXFIUCB-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000277461429 1025185102 /nfs/dbraw/zinc/18/51/02/1025185102.db2.gz LKEDFZLJXFIUCB-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000431353510 1025218673 /nfs/dbraw/zinc/21/86/73/1025218673.db2.gz WKAIYMZKJIOHNE-JXFKEZNVSA-N 2 1 328.500 3.711 20 0 EHADMP FC(F)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167959922 1025233689 /nfs/dbraw/zinc/23/36/89/1025233689.db2.gz VHTWHDZHDUGEEY-ALOPSCKCSA-N 2 1 336.426 3.783 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C[C@@H]12 ZINC000346856815 1025245420 /nfs/dbraw/zinc/24/54/20/1025245420.db2.gz PPWAOUQNEJHQBX-OZOXKJRCSA-N 2 1 340.442 3.574 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C[C@H]12 ZINC000346856810 1025246370 /nfs/dbraw/zinc/24/63/70/1025246370.db2.gz PPWAOUQNEJHQBX-NBHGPNQESA-N 2 1 340.442 3.574 20 0 EHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000474637135 1025257754 /nfs/dbraw/zinc/25/77/54/1025257754.db2.gz WHNMROYUYHBUAF-ZIFCJYIRSA-N 2 1 336.545 3.755 20 0 EHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000474637135 1025257768 /nfs/dbraw/zinc/25/77/68/1025257768.db2.gz WHNMROYUYHBUAF-ZIFCJYIRSA-N 2 1 336.545 3.755 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116396243 1025267617 /nfs/dbraw/zinc/26/76/17/1025267617.db2.gz FUJDMIZNYQPHOQ-WMZOPIPTSA-N 2 1 333.520 3.586 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4nonc4c3)CC[N@@H+]2C2CC2)cc1 ZINC000897990573 1033282247 /nfs/dbraw/zinc/28/22/47/1033282247.db2.gz WVGPRVLHASTKGL-UTKZUKDTSA-N 2 1 348.450 3.681 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4nonc4c3)CC[N@H+]2C2CC2)cc1 ZINC000897990573 1033282259 /nfs/dbraw/zinc/28/22/59/1033282259.db2.gz WVGPRVLHASTKGL-UTKZUKDTSA-N 2 1 348.450 3.681 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442710494 1025436690 /nfs/dbraw/zinc/43/66/90/1025436690.db2.gz QAYDLXKMRLGCEN-IAGOWNOFSA-N 2 1 325.500 3.879 20 0 EHADMP C[C@H]1CC([NH2+]Cc2cnn3ccccc23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041589 1025461695 /nfs/dbraw/zinc/46/16/95/1025461695.db2.gz TXTBVHQCWCPIJY-ROUUACIJSA-N 2 1 348.494 3.866 20 0 EHADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C(C)(C)C ZINC000436247546 1025493895 /nfs/dbraw/zinc/49/38/95/1025493895.db2.gz PENBRFQFUIYGJE-IBGZPJMESA-N 2 1 346.494 3.527 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](C)[C@](C)(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041812 1025506596 /nfs/dbraw/zinc/50/65/96/1025506596.db2.gz VTAYSUVXCACSCQ-WJJPVSRMSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)[C@](C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041812 1025506603 /nfs/dbraw/zinc/50/66/03/1025506603.db2.gz VTAYSUVXCACSCQ-WJJPVSRMSA-N 2 1 344.543 3.911 20 0 EHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000281823934 1025541420 /nfs/dbraw/zinc/54/14/20/1025541420.db2.gz ZUNZEJLOPDNMJF-LJQANCHMSA-N 2 1 332.463 3.818 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)cc(Cl)c1 ZINC000442873662 1025545444 /nfs/dbraw/zinc/54/54/44/1025545444.db2.gz KXOZNLSJXLNMHP-ZDUSSCGKSA-N 2 1 344.330 3.670 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436276218 1025546024 /nfs/dbraw/zinc/54/60/24/1025546024.db2.gz RMRZFJDAAPYXJG-IYBDPMFKSA-N 2 1 346.544 3.986 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000436288770 1025551160 /nfs/dbraw/zinc/55/11/60/1025551160.db2.gz KXLJGSKRWKNKGD-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000442918118 1025582472 /nfs/dbraw/zinc/58/24/72/1025582472.db2.gz CBGWKIRLTPWYLI-KGLIPLIRSA-N 2 1 325.294 3.613 20 0 EHADMP CC[C@@H](C)[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000443004854 1025657371 /nfs/dbraw/zinc/65/73/71/1025657371.db2.gz TYNXVSAVTZHXES-RHSMWYFYSA-N 2 1 328.460 3.768 20 0 EHADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054884 1025693620 /nfs/dbraw/zinc/69/36/20/1025693620.db2.gz ARUUVDLVLKUDTB-QGZVFWFLSA-N 2 1 345.531 3.933 20 0 EHADMP CCOc1ccc([C@H](CC)[NH2+]CCc2c[nH+]cn2C)cc1OCC ZINC000530354932 1025698237 /nfs/dbraw/zinc/69/82/37/1025698237.db2.gz JVHKWMBKLOERNZ-KRWDZBQOSA-N 2 1 331.460 3.501 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000521817130 1025703055 /nfs/dbraw/zinc/70/30/55/1025703055.db2.gz WHSQLMKMLZGJDP-ROUUACIJSA-N 2 1 340.515 3.843 20 0 EHADMP OCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000451303538 1025807128 /nfs/dbraw/zinc/80/71/28/1025807128.db2.gz GSDYWDIVZQRTAI-QGZVFWFLSA-N 2 1 344.421 3.595 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000121953048 1026057311 /nfs/dbraw/zinc/05/73/11/1026057311.db2.gz PBOUCEIYZPPEHL-CGHHPOIWSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000121953048 1026057331 /nfs/dbraw/zinc/05/73/31/1026057331.db2.gz PBOUCEIYZPPEHL-CGHHPOIWSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)Cc1ccccc1 ZINC000474049014 1026062846 /nfs/dbraw/zinc/06/28/46/1026062846.db2.gz ZGYPZMBWFFRFSX-NJDAHSKKSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]1CC([NH+]2CCC(C[NH+](C)C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168054484 1026073758 /nfs/dbraw/zinc/07/37/58/1026073758.db2.gz SCMHDNKPJWSQQC-RTBURBONSA-N 2 1 343.559 3.702 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cc2)cc1 ZINC000563350392 1026210532 /nfs/dbraw/zinc/21/05/32/1026210532.db2.gz OCFQKFLCACOZSX-DOTOQJQBSA-N 2 1 326.440 3.799 20 0 EHADMP CC(C)[C@H]1COCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168056680 1026249014 /nfs/dbraw/zinc/24/90/14/1026249014.db2.gz HSQQKHCASZRTIT-DBXWQHBBSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@H]1COCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168056680 1026249025 /nfs/dbraw/zinc/24/90/25/1026249025.db2.gz HSQQKHCASZRTIT-DBXWQHBBSA-N 2 1 330.516 3.785 20 0 EHADMP Cc1[nH+]ccc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1Cl ZINC000684889952 1026383855 /nfs/dbraw/zinc/38/38/55/1026383855.db2.gz MWEUDHUGPTVOGL-INIZCTEOSA-N 2 1 326.831 3.595 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(Br)c2)C[C@H]1C ZINC000530901527 1026385347 /nfs/dbraw/zinc/38/53/47/1026385347.db2.gz KKTLUUMXYQTPFZ-CJNGLKHVSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2)C[C@H]1C ZINC000530901527 1026385366 /nfs/dbraw/zinc/38/53/66/1026385366.db2.gz KKTLUUMXYQTPFZ-CJNGLKHVSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2)C[C@H]1C ZINC000530901527 1026385382 /nfs/dbraw/zinc/38/53/82/1026385382.db2.gz KKTLUUMXYQTPFZ-CJNGLKHVSA-N 2 1 325.294 3.754 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032325 1026459178 /nfs/dbraw/zinc/45/91/78/1026459178.db2.gz QDLPZKASJYWWHX-UNMCSNQZSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032325 1026459186 /nfs/dbraw/zinc/45/91/86/1026459186.db2.gz QDLPZKASJYWWHX-UNMCSNQZSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032325 1026459194 /nfs/dbraw/zinc/45/91/94/1026459194.db2.gz QDLPZKASJYWWHX-UNMCSNQZSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032325 1026459200 /nfs/dbraw/zinc/45/92/00/1026459200.db2.gz QDLPZKASJYWWHX-UNMCSNQZSA-N 2 1 335.495 3.611 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620364 1026478613 /nfs/dbraw/zinc/47/86/13/1026478613.db2.gz WVUOULXHTMRRQL-HKUYNNGSSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620364 1026478623 /nfs/dbraw/zinc/47/86/23/1026478623.db2.gz WVUOULXHTMRRQL-HKUYNNGSSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620364 1026478625 /nfs/dbraw/zinc/47/86/25/1026478625.db2.gz WVUOULXHTMRRQL-HKUYNNGSSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620364 1026478630 /nfs/dbraw/zinc/47/86/30/1026478630.db2.gz WVUOULXHTMRRQL-HKUYNNGSSA-N 2 1 340.515 3.660 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc1Cl ZINC000342630446 1026510723 /nfs/dbraw/zinc/51/07/23/1026510723.db2.gz UTGAZEBEMDNZRD-AWEZNQCLSA-N 2 1 325.884 3.516 20 0 EHADMP CC(C)O[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168062375 1026527233 /nfs/dbraw/zinc/52/72/33/1026527233.db2.gz KNERGNVYSLZZGE-BBTUJRGHSA-N 2 1 330.516 3.927 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CCO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065486 1026646843 /nfs/dbraw/zinc/64/68/43/1026646843.db2.gz WTSUGVYPEANJFA-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CCO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065486 1026646850 /nfs/dbraw/zinc/64/68/50/1026646850.db2.gz WTSUGVYPEANJFA-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CCO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065486 1026646857 /nfs/dbraw/zinc/64/68/57/1026646857.db2.gz WTSUGVYPEANJFA-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CCO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065486 1026646867 /nfs/dbraw/zinc/64/68/67/1026646867.db2.gz WTSUGVYPEANJFA-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP CC[C@H](CCO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925243489 1026760089 /nfs/dbraw/zinc/76/00/89/1026760089.db2.gz HAFPXXAZFXGMKG-LBFURVHYSA-N 2 1 330.516 3.570 20 0 EHADMP Clc1c[nH+]ccc1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000301500034 1026829072 /nfs/dbraw/zinc/82/90/72/1026829072.db2.gz FODCKJGMNMPYKT-UHFFFAOYSA-N 2 1 344.890 3.749 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000305616388 1026862041 /nfs/dbraw/zinc/86/20/41/1026862041.db2.gz DFGIFCFAKQZLIE-MOPGFXCFSA-N 2 1 345.487 3.933 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000305616388 1026862051 /nfs/dbraw/zinc/86/20/51/1026862051.db2.gz DFGIFCFAKQZLIE-MOPGFXCFSA-N 2 1 345.487 3.933 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378469 1026865329 /nfs/dbraw/zinc/86/53/29/1026865329.db2.gz NKYIKAYLFVPNFW-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378469 1026865341 /nfs/dbraw/zinc/86/53/41/1026865341.db2.gz NKYIKAYLFVPNFW-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000563427544 1026883551 /nfs/dbraw/zinc/88/35/51/1026883551.db2.gz NRRCIKHQLCGRAB-ZDUSSCGKSA-N 2 1 325.378 3.592 20 0 EHADMP CO[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168066488 1026900231 /nfs/dbraw/zinc/90/02/31/1026900231.db2.gz OXKDGWNFPALLLB-XOPFUANDSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168066488 1026900239 /nfs/dbraw/zinc/90/02/39/1026900239.db2.gz OXKDGWNFPALLLB-XOPFUANDSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168066488 1026900247 /nfs/dbraw/zinc/90/02/47/1026900247.db2.gz OXKDGWNFPALLLB-XOPFUANDSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168066488 1026900257 /nfs/dbraw/zinc/90/02/57/1026900257.db2.gz OXKDGWNFPALLLB-XOPFUANDSA-N 2 1 330.516 3.927 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100916 1026989179 /nfs/dbraw/zinc/98/91/79/1026989179.db2.gz BVBKWKMVEPLBHC-INIZCTEOSA-N 2 1 342.270 3.602 20 0 EHADMP CCOCCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272894973 1027166464 /nfs/dbraw/zinc/16/64/64/1027166464.db2.gz ZUIZDUPDYAZLSX-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000531735189 1027258082 /nfs/dbraw/zinc/25/80/82/1027258082.db2.gz FQLUMZFEIMVZNE-WWMYMODYSA-N 2 1 326.484 3.927 20 0 EHADMP COc1cccc2c1ncc(C)c2NC[C@H](c1ccco1)N(C)C ZINC000302735142 1027263409 /nfs/dbraw/zinc/26/34/09/1027263409.db2.gz YWHNCHYDCVAYMV-OAHLLOKOSA-N 2 1 325.412 3.860 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000061016523 1027279150 /nfs/dbraw/zinc/27/91/50/1027279150.db2.gz WHHKTLWKQWRZFF-UHFFFAOYSA-N 2 1 340.895 3.711 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000657561928 1027298262 /nfs/dbraw/zinc/29/82/62/1027298262.db2.gz DQRMRRMEAVZABP-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561928 1027298276 /nfs/dbraw/zinc/29/82/76/1027298276.db2.gz DQRMRRMEAVZABP-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561928 1027298294 /nfs/dbraw/zinc/29/82/94/1027298294.db2.gz DQRMRRMEAVZABP-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561700 1027301778 /nfs/dbraw/zinc/30/17/78/1027301778.db2.gz KNGIVBVCXPSZKV-LEWJYISDSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561700 1027301799 /nfs/dbraw/zinc/30/17/99/1027301799.db2.gz KNGIVBVCXPSZKV-LEWJYISDSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000453056104 1027301759 /nfs/dbraw/zinc/30/17/59/1027301759.db2.gz FSYAXIYUPPDOBH-QZTJIDSGSA-N 2 1 338.499 3.572 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH+]3CCCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453092468 1027353420 /nfs/dbraw/zinc/35/34/20/1027353420.db2.gz QOQKIGVGPUVFJS-FKBYEOEOSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453092468 1027353438 /nfs/dbraw/zinc/35/34/38/1027353438.db2.gz QOQKIGVGPUVFJS-FKBYEOEOSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453092468 1027353451 /nfs/dbraw/zinc/35/34/51/1027353451.db2.gz QOQKIGVGPUVFJS-FKBYEOEOSA-N 3 1 341.543 3.505 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115218 1027385487 /nfs/dbraw/zinc/38/54/87/1027385487.db2.gz WRIJBXVCQVTCNK-ROUUACIJSA-N 2 1 340.515 3.858 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115218 1027385503 /nfs/dbraw/zinc/38/55/03/1027385503.db2.gz WRIJBXVCQVTCNK-ROUUACIJSA-N 2 1 340.515 3.858 20 0 EHADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453146192 1027410780 /nfs/dbraw/zinc/41/07/80/1027410780.db2.gz SRBWFVGMIVJASA-RTOMLYRKSA-N 2 1 342.527 3.570 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccncc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453150490 1027420447 /nfs/dbraw/zinc/42/04/47/1027420447.db2.gz SEADRFGOIUTKDL-FKBYEOEOSA-N 2 1 335.495 3.657 20 0 EHADMP CC[N@@H+](Cc1cccc(Br)c1C)[C@H]1CCC[NH2+]CC1 ZINC000420301260 1027450417 /nfs/dbraw/zinc/45/04/17/1027450417.db2.gz ALBACMUJQHNSEZ-HNNXBMFYSA-N 2 1 325.294 3.722 20 0 EHADMP c1cc(CCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cs1 ZINC000420306054 1027452687 /nfs/dbraw/zinc/45/26/87/1027452687.db2.gz HGSLIAIKZVAGJA-IBGZPJMESA-N 2 1 329.513 3.720 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000420366614 1027491483 /nfs/dbraw/zinc/49/14/83/1027491483.db2.gz GGCLCULKZDUCOB-GDBMZVCRSA-N 2 1 344.421 3.648 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1Cl ZINC000657594834 1027566470 /nfs/dbraw/zinc/56/64/70/1027566470.db2.gz DAZJDZLHBLMSPE-IBGZPJMESA-N 2 1 344.886 3.505 20 0 EHADMP Fc1cccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)co2)c1 ZINC000047971849 1027635336 /nfs/dbraw/zinc/63/53/36/1027635336.db2.gz CTFLVXWPJCDFKZ-UHFFFAOYSA-N 2 1 343.446 3.789 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000414657276 1027723810 /nfs/dbraw/zinc/72/38/10/1027723810.db2.gz OEKIUMSQFNXGSV-GOSISDBHSA-N 2 1 346.478 3.628 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657639432 1027746147 /nfs/dbraw/zinc/74/61/47/1027746147.db2.gz XNNSDQAHEBXSOY-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657639432 1027746166 /nfs/dbraw/zinc/74/61/66/1027746166.db2.gz XNNSDQAHEBXSOY-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@@H]1C[NH3+] ZINC000422631450 1027829893 /nfs/dbraw/zinc/82/98/93/1027829893.db2.gz FNULXOFWXMARDO-RYRKJORJSA-N 2 1 325.456 3.679 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000513733690 1027881909 /nfs/dbraw/zinc/88/19/09/1027881909.db2.gz UWUJOXMVEODJAY-OAQYLSRUSA-N 2 1 343.559 3.705 20 0 EHADMP Cc1cnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000428366543 1027928873 /nfs/dbraw/zinc/92/88/73/1027928873.db2.gz YKHYDPSVLPJRRW-ROUUACIJSA-N 2 1 330.520 3.823 20 0 EHADMP Fc1cccc(Cl)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422782817 1027937217 /nfs/dbraw/zinc/93/72/17/1027937217.db2.gz NHILSBQZFWVWHX-HKUYNNGSSA-N 2 1 346.833 3.825 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237675910 1027953584 /nfs/dbraw/zinc/95/35/84/1027953584.db2.gz QAHJIUQZIASCQC-JXFKEZNVSA-N 2 1 337.467 3.557 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422810868 1027960360 /nfs/dbraw/zinc/96/03/60/1027960360.db2.gz OCNLUVRZRIOHAH-SOUVJXGZSA-N 2 1 344.833 3.952 20 0 EHADMP C[C@@H]([NH2+]C1CC1)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000414487271 1027975474 /nfs/dbraw/zinc/97/54/74/1027975474.db2.gz VFDGQEMHSNELGO-CQSZACIVSA-N 2 1 326.444 3.536 20 0 EHADMP C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH+]ccc1N ZINC000422839659 1027982305 /nfs/dbraw/zinc/98/23/05/1027982305.db2.gz ABLIHTLBNRXRPP-IFXJQAMLSA-N 2 1 344.890 3.635 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862111 1027996171 /nfs/dbraw/zinc/99/61/71/1027996171.db2.gz NKPFFMXJQFONGA-LVCYWYKZSA-N 3 1 329.532 3.539 20 0 EHADMP COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000421040621 1028024016 /nfs/dbraw/zinc/02/40/16/1028024016.db2.gz NSGCMYYNMWFFMB-UHFFFAOYSA-N 2 1 343.471 3.654 20 0 EHADMP COc1ccc2c(c1)OC(C)(C)C[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000421040621 1028024033 /nfs/dbraw/zinc/02/40/33/1028024033.db2.gz NSGCMYYNMWFFMB-UHFFFAOYSA-N 2 1 343.471 3.654 20 0 EHADMP CC(C)c1csc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422892025 1028025012 /nfs/dbraw/zinc/02/50/12/1028025012.db2.gz LUZCRCHZOVYDPL-DNVCBOLYSA-N 2 1 343.496 3.612 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000422907689 1028041163 /nfs/dbraw/zinc/04/11/63/1028041163.db2.gz CAMJHRRJOBBFND-INIZCTEOSA-N 3 1 340.515 3.540 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913323 1028044942 /nfs/dbraw/zinc/04/49/42/1028044942.db2.gz YFYGSAIYZOJIPK-UZLBHIALSA-N 2 1 344.547 3.544 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000502268873 1028064490 /nfs/dbraw/zinc/06/44/90/1028064490.db2.gz NPKAYFSQRVFUBM-ROUUACIJSA-N 2 1 348.531 3.797 20 0 EHADMP C[C@@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422969251 1028084170 /nfs/dbraw/zinc/08/41/70/1028084170.db2.gz ZHYTWABLPSGHSH-GOSISDBHSA-N 2 1 349.522 3.647 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423008946 1028121274 /nfs/dbraw/zinc/12/12/74/1028121274.db2.gz UWTTYBNSUAIOTO-UWJYYQICSA-N 3 1 341.499 3.519 20 0 EHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423008946 1028121280 /nfs/dbraw/zinc/12/12/80/1028121280.db2.gz UWTTYBNSUAIOTO-UWJYYQICSA-N 2 1 341.499 3.519 20 0 EHADMP COC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423019697 1028131101 /nfs/dbraw/zinc/13/11/01/1028131101.db2.gz WUXHHRUYBBLJSF-SIIHOXLZSA-N 2 1 326.431 3.553 20 0 EHADMP C[C@@H]([NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1)c1c[nH+]ccc1N ZINC000423055900 1028150913 /nfs/dbraw/zinc/15/09/13/1028150913.db2.gz DYIUNOLKDJYZGI-GFCCVEGCSA-N 2 1 335.373 3.895 20 0 EHADMP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098209 1028180294 /nfs/dbraw/zinc/18/02/94/1028180294.db2.gz COSSIZFZFIANKW-BUHWKMJWSA-N 3 1 349.950 3.971 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000423115736 1028188657 /nfs/dbraw/zinc/18/86/57/1028188657.db2.gz YPQDDAUBFUSZEH-WOPDTQHZSA-N 2 1 329.257 3.627 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104313 1028196256 /nfs/dbraw/zinc/19/62/56/1028196256.db2.gz YGGGFYGOUDMWEI-PQTDTLSBSA-N 2 1 330.422 3.759 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000423131948 1028196575 /nfs/dbraw/zinc/19/65/75/1028196575.db2.gz UDKHILSZZLVPEN-KKXDTOCCSA-N 2 1 326.440 3.808 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423146852 1028208364 /nfs/dbraw/zinc/20/83/64/1028208364.db2.gz BITJIFUWXCMWEK-SEVLPDGMSA-N 2 1 346.515 3.529 20 0 EHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423143718 1028228023 /nfs/dbraw/zinc/22/80/23/1028228023.db2.gz DVZHIEWSDSPKKE-FHLIZLRMSA-N 2 1 344.890 3.536 20 0 EHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423143719 1028228951 /nfs/dbraw/zinc/22/89/51/1028228951.db2.gz DVZHIEWSDSPKKE-JCGIZDLHSA-N 2 1 344.890 3.536 20 0 EHADMP CC[C@@H]1CCC[C@@H](C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000414720677 1028245044 /nfs/dbraw/zinc/24/50/44/1028245044.db2.gz CREZZGJYQWAZPE-GUDVDZBRSA-N 2 1 344.547 3.581 20 0 EHADMP Brc1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423188724 1028262667 /nfs/dbraw/zinc/26/26/67/1028262667.db2.gz QEHUEGMSJJQWIN-SFHVURJKSA-N 2 1 345.284 3.880 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000423192754 1028263241 /nfs/dbraw/zinc/26/32/41/1028263241.db2.gz WCYRWQGBBBEMMY-OAQYLSRUSA-N 2 1 325.500 3.727 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423202098 1028269535 /nfs/dbraw/zinc/26/95/35/1028269535.db2.gz AMKOOLOUHJJSTI-QRWLVFNGSA-N 2 1 328.431 3.513 20 0 EHADMP CC(C)[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000423244224 1028307535 /nfs/dbraw/zinc/30/75/35/1028307535.db2.gz NMBGEUIUABIFSM-MAUKXSAKSA-N 2 1 325.412 3.520 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421378769 1028337670 /nfs/dbraw/zinc/33/76/70/1028337670.db2.gz TUHWQOQFYXAKPN-NJDAHSKKSA-N 2 1 342.527 3.572 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C3CC3)s2)cc1 ZINC000423278665 1028339951 /nfs/dbraw/zinc/33/99/51/1028339951.db2.gz QBUJUIHMTQRFML-ZBEGNZNMSA-N 2 1 331.485 3.515 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H](C)C[NH3+])c2ccccc2Cl)cc1OC ZINC000423311475 1028346170 /nfs/dbraw/zinc/34/61/70/1028346170.db2.gz TYSDZLPIKKHZCO-YJYMSZOUSA-N 2 1 348.874 3.631 20 0 EHADMP CC1CC[NH+](CCC[C@H]([NH2+]CC2([NH3+])CCC2)c2ccc(F)cc2)CC1 ZINC000423329225 1028368443 /nfs/dbraw/zinc/36/84/43/1028368443.db2.gz OGWMREOXDSRCFQ-FQEVSTJZSA-N 3 1 347.522 3.850 20 0 EHADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964170 1028386531 /nfs/dbraw/zinc/38/65/31/1028386531.db2.gz JWCOTYLZGCHSIL-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964170 1028386547 /nfs/dbraw/zinc/38/65/47/1028386547.db2.gz JWCOTYLZGCHSIL-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423362021 1028388480 /nfs/dbraw/zinc/38/84/80/1028388480.db2.gz AQYPBSXNXLLMFH-UFBFGSQYSA-N 2 1 339.199 3.856 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000423363876 1028391190 /nfs/dbraw/zinc/39/11/90/1028391190.db2.gz OFBUTUNRLBTOJX-XJKSGUPXSA-N 2 1 332.879 3.627 20 0 EHADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OCc1cccs1 ZINC000068353189 1028395278 /nfs/dbraw/zinc/39/52/78/1028395278.db2.gz UICWMMFUTBYRGD-HNNXBMFYSA-N 2 1 348.512 3.766 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000161983020 1028401922 /nfs/dbraw/zinc/40/19/22/1028401922.db2.gz JGBDXHUIWGCVKH-VKOGCVSHSA-N 2 1 325.456 3.645 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386017 1028402158 /nfs/dbraw/zinc/40/21/58/1028402158.db2.gz LSBIYZNEUJLKCB-HNNXBMFYSA-N 3 1 332.451 3.635 20 0 EHADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCC[NH+](C)C)cc2)c1 ZINC000237219309 1028408224 /nfs/dbraw/zinc/40/82/24/1028408224.db2.gz CWTYYKAWAWHQDO-UHFFFAOYSA-N 2 1 344.455 3.537 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000423374966 1028412417 /nfs/dbraw/zinc/41/24/17/1028412417.db2.gz KHVYEWSZYRYSRP-RYRKJORJSA-N 2 1 326.488 3.589 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423470730 1028455722 /nfs/dbraw/zinc/45/57/22/1028455722.db2.gz LXMJCRGJONGKTL-POHUPDAJSA-N 3 1 341.543 3.537 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423470730 1028455732 /nfs/dbraw/zinc/45/57/32/1028455732.db2.gz LXMJCRGJONGKTL-POHUPDAJSA-N 2 1 341.543 3.537 20 0 EHADMP Clc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423501757 1028467114 /nfs/dbraw/zinc/46/71/14/1028467114.db2.gz DPHUURQPVUMCHH-PMACEKPBSA-N 2 1 344.886 3.592 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccccc1 ZINC000423505623 1028469362 /nfs/dbraw/zinc/46/93/62/1028469362.db2.gz OOVPTUUMBUHDSV-UZLBHIALSA-N 2 1 349.482 3.707 20 0 EHADMP c1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423509617 1028476396 /nfs/dbraw/zinc/47/63/96/1028476396.db2.gz LOZZVISTZVBQAO-LIKPIUCQSA-N 2 1 341.543 3.519 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423527887 1028497764 /nfs/dbraw/zinc/49/77/64/1028497764.db2.gz WGFGWMFJCNQDKJ-OXQOHEQNSA-N 2 1 326.440 3.508 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238761 1028503708 /nfs/dbraw/zinc/50/37/08/1028503708.db2.gz OOKKAJFGRBMTPE-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238761 1028503714 /nfs/dbraw/zinc/50/37/14/1028503714.db2.gz OOKKAJFGRBMTPE-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP CC1CCN(C(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000523703229 1028557460 /nfs/dbraw/zinc/55/74/60/1028557460.db2.gz DKQMNZRFGHQJAR-QGZVFWFLSA-N 2 1 348.560 3.777 20 0 EHADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136048 1028584800 /nfs/dbraw/zinc/58/48/00/1028584800.db2.gz XOVBXAJVWRXETL-RDJZCZTQSA-N 2 1 330.497 3.929 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)cc1 ZINC000246476914 1028602126 /nfs/dbraw/zinc/60/21/26/1028602126.db2.gz QYLBZYIHKJBJCL-HOIFWPIMSA-N 2 1 349.478 3.823 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OCC(C)C ZINC000237167269 1028642113 /nfs/dbraw/zinc/64/21/13/1028642113.db2.gz HYJCRJXBBXCKRT-MRXNPFEDSA-N 2 1 345.487 3.661 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000247233811 1028761780 /nfs/dbraw/zinc/76/17/80/1028761780.db2.gz YLLKCWSQRRAJSM-SJORKVTESA-N 2 1 340.515 3.811 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000247233796 1028762528 /nfs/dbraw/zinc/76/25/28/1028762528.db2.gz YLLKCWSQRRAJSM-IAGOWNOFSA-N 2 1 340.515 3.811 20 0 EHADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414772791 1028774778 /nfs/dbraw/zinc/77/47/78/1028774778.db2.gz CLSSMHAGESSJND-CABCVRRESA-N 2 1 329.875 3.710 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414773505 1028790357 /nfs/dbraw/zinc/79/03/57/1028790357.db2.gz DLXVAVGAERFKGX-MOPGFXCFSA-N 2 1 346.515 3.696 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000247887327 1028820536 /nfs/dbraw/zinc/82/05/36/1028820536.db2.gz DKTUKUNYXPYTML-ZWKOTPCHSA-N 2 1 343.515 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000247887327 1028820546 /nfs/dbraw/zinc/82/05/46/1028820546.db2.gz DKTUKUNYXPYTML-ZWKOTPCHSA-N 2 1 343.515 3.729 20 0 EHADMP CC[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N1CCCC1 ZINC000513760194 1028824908 /nfs/dbraw/zinc/82/49/08/1028824908.db2.gz IKSCHGSOWPMCKH-ORFBVSJDSA-N 3 1 343.559 3.894 20 0 EHADMP CC[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000513760194 1028824923 /nfs/dbraw/zinc/82/49/23/1028824923.db2.gz IKSCHGSOWPMCKH-ORFBVSJDSA-N 3 1 343.559 3.894 20 0 EHADMP CC[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000513760194 1028824943 /nfs/dbraw/zinc/82/49/43/1028824943.db2.gz IKSCHGSOWPMCKH-ORFBVSJDSA-N 3 1 343.559 3.894 20 0 EHADMP CC(C)n1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000424141986 1028831115 /nfs/dbraw/zinc/83/11/15/1028831115.db2.gz XYYIUOKYPWDEIN-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000421856690 1028850026 /nfs/dbraw/zinc/85/00/26/1028850026.db2.gz NWYDQLSMILZATF-HBMCJLEFSA-N 2 1 342.527 3.714 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777354 1028854869 /nfs/dbraw/zinc/85/48/69/1028854869.db2.gz IDCZAKKYXFVEQS-MOPGFXCFSA-N 2 1 339.458 3.709 20 0 EHADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502921190 1028867916 /nfs/dbraw/zinc/86/79/16/1028867916.db2.gz ULGBSMMARXXDNN-PKOBYXMFSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502921190 1028867927 /nfs/dbraw/zinc/86/79/27/1028867927.db2.gz ULGBSMMARXXDNN-PKOBYXMFSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502921190 1028867938 /nfs/dbraw/zinc/86/79/38/1028867938.db2.gz ULGBSMMARXXDNN-PKOBYXMFSA-N 2 1 331.504 3.600 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778880 1028896880 /nfs/dbraw/zinc/89/68/80/1028896880.db2.gz JMRMJXJHOHNNHX-KBPBESRZSA-N 2 1 330.369 3.666 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248457007 1028912159 /nfs/dbraw/zinc/91/21/59/1028912159.db2.gz SRZXEHDYBNBACY-AVRDEDQJSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000248462854 1028914689 /nfs/dbraw/zinc/91/46/89/1028914689.db2.gz YPAVYKTUTZSCOD-APWZRJJASA-N 2 1 344.524 3.864 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1OCC(F)(F)F)CC[NH2+]CC2 ZINC000424288661 1028928411 /nfs/dbraw/zinc/92/84/11/1028928411.db2.gz KWSXCLZJNFISGD-AWEZNQCLSA-N 2 1 342.405 3.592 20 0 EHADMP c1sc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781034 1028944528 /nfs/dbraw/zinc/94/45/28/1028944528.db2.gz MJQKNWWUKGIDSH-DLBZAZTESA-N 2 1 327.497 3.632 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CCS2 ZINC000248792042 1028951183 /nfs/dbraw/zinc/95/11/83/1028951183.db2.gz DNFFISLCLVJNMI-YJBOKZPZSA-N 2 1 334.529 3.942 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(OCC(F)(F)F)c1)CC[NH2+]CC2 ZINC000424283817 1028959404 /nfs/dbraw/zinc/95/94/04/1028959404.db2.gz CGTHEPJGOPYQSE-AWEZNQCLSA-N 2 1 342.405 3.592 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000249039708 1028980691 /nfs/dbraw/zinc/98/06/91/1028980691.db2.gz UJYZFGNUOLOEJG-XLNTUCKNSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000249039708 1028980708 /nfs/dbraw/zinc/98/07/08/1028980708.db2.gz UJYZFGNUOLOEJG-XLNTUCKNSA-N 2 1 338.499 3.575 20 0 EHADMP CC[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000503029366 1028989401 /nfs/dbraw/zinc/98/94/01/1028989401.db2.gz ZHDHFUQOUWEGDA-IBGZPJMESA-N 2 1 330.516 3.805 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](c3ccco3)N(C)C)CC2)C1 ZINC000154095547 1029015866 /nfs/dbraw/zinc/01/58/66/1029015866.db2.gz ZPXCFVSPXQTZFE-UHOSZYNNSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H](c3ccco3)[NH+](C)C)CC2)C1 ZINC000154095547 1029015882 /nfs/dbraw/zinc/01/58/82/1029015882.db2.gz ZPXCFVSPXQTZFE-UHOSZYNNSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)C[NH+](C)C ZINC000422080782 1029050206 /nfs/dbraw/zinc/05/02/06/1029050206.db2.gz BGQMESWWVGXTGS-KRWDZBQOSA-N 2 1 340.515 3.953 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)s2)o1 ZINC000414787685 1029063377 /nfs/dbraw/zinc/06/33/77/1029063377.db2.gz VVYOTWTVPNDGPY-CABCVRRESA-N 2 1 331.485 3.533 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414801367 1029169914 /nfs/dbraw/zinc/16/99/14/1029169914.db2.gz LVIKLMYCDPSDBV-OAQYLSRUSA-N 2 1 346.478 3.675 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000161640108 1029256220 /nfs/dbraw/zinc/25/62/20/1029256220.db2.gz IEQXKVUPTKTIJR-NQIIRXRSSA-N 2 1 329.532 3.504 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C(C)C)C3CC3)CC2)cs1 ZINC000161794582 1029290577 /nfs/dbraw/zinc/29/05/77/1029290577.db2.gz UHBDSOHWVRTHDH-IBGZPJMESA-N 2 1 335.561 3.942 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000414811601 1029309635 /nfs/dbraw/zinc/30/96/35/1029309635.db2.gz PVWVLMXZMIGPQP-GOSISDBHSA-N 3 1 337.511 3.503 20 0 EHADMP C[C@@H]([NH3+])c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000414811601 1029309653 /nfs/dbraw/zinc/30/96/53/1029309653.db2.gz PVWVLMXZMIGPQP-GOSISDBHSA-N 2 1 337.511 3.503 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000124713091 1029311962 /nfs/dbraw/zinc/31/19/62/1029311962.db2.gz LVBVBJRDBNBQAP-UHFFFAOYSA-N 2 1 328.279 3.538 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)s1 ZINC000124713091 1029311976 /nfs/dbraw/zinc/31/19/76/1029311976.db2.gz LVBVBJRDBNBQAP-UHFFFAOYSA-N 2 1 328.279 3.538 20 0 EHADMP C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272235462 1029375128 /nfs/dbraw/zinc/37/51/28/1029375128.db2.gz VNJOISGKLXNSKK-PGRDOPGGSA-N 2 1 348.490 3.963 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272333964 1029422210 /nfs/dbraw/zinc/42/22/10/1029422210.db2.gz NEQMHZUKXZSCJM-AVRDEDQJSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272333964 1029422221 /nfs/dbraw/zinc/42/22/21/1029422221.db2.gz NEQMHZUKXZSCJM-AVRDEDQJSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333964 1029422228 /nfs/dbraw/zinc/42/22/28/1029422228.db2.gz NEQMHZUKXZSCJM-AVRDEDQJSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333964 1029422230 /nfs/dbraw/zinc/42/22/30/1029422230.db2.gz NEQMHZUKXZSCJM-AVRDEDQJSA-N 2 1 338.495 3.664 20 0 EHADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CCCCC1 ZINC000414831085 1029478279 /nfs/dbraw/zinc/47/82/79/1029478279.db2.gz BXXKLYVGOOILCP-OAQYLSRUSA-N 2 1 339.483 3.658 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414831630 1029488808 /nfs/dbraw/zinc/48/88/08/1029488808.db2.gz DHDXJYSRVZENCK-CQSZACIVSA-N 2 1 345.874 3.537 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@H]1c1cccs1 ZINC000245955694 1029515650 /nfs/dbraw/zinc/51/56/50/1029515650.db2.gz XFICLRCNTFGRQZ-QDSNELGPSA-N 2 1 348.556 3.924 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@H]1c1cccs1 ZINC000245955694 1029515659 /nfs/dbraw/zinc/51/56/59/1029515659.db2.gz XFICLRCNTFGRQZ-QDSNELGPSA-N 2 1 348.556 3.924 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@H]1c1cccs1 ZINC000245955697 1029516285 /nfs/dbraw/zinc/51/62/85/1029516285.db2.gz XFICLRCNTFGRQZ-UWAKZDDMSA-N 2 1 348.556 3.924 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@H]1c1cccs1 ZINC000245955697 1029516294 /nfs/dbraw/zinc/51/62/94/1029516294.db2.gz XFICLRCNTFGRQZ-UWAKZDDMSA-N 2 1 348.556 3.924 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414838356 1029523657 /nfs/dbraw/zinc/52/36/57/1029523657.db2.gz KLJXFTMRTUJDLP-UIFIKXQLSA-N 2 1 329.532 3.537 20 0 EHADMP NCc1nc(C[N@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)no1 ZINC000262201884 1029579844 /nfs/dbraw/zinc/57/98/44/1029579844.db2.gz KOZRYKWYZMSDKU-SJORKVTESA-N 2 1 332.492 3.632 20 0 EHADMP NCc1nc(C[N@@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)no1 ZINC000262201884 1029579853 /nfs/dbraw/zinc/57/98/53/1029579853.db2.gz KOZRYKWYZMSDKU-SJORKVTESA-N 2 1 332.492 3.632 20 0 EHADMP COc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)CCCO2 ZINC000125744353 1029595131 /nfs/dbraw/zinc/59/51/31/1029595131.db2.gz IOSFFSNACCEJJL-QFBILLFUSA-N 2 1 332.488 3.619 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000125744353 1029595142 /nfs/dbraw/zinc/59/51/42/1029595142.db2.gz IOSFFSNACCEJJL-QFBILLFUSA-N 2 1 332.488 3.619 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CCCO2 ZINC000125744353 1029595148 /nfs/dbraw/zinc/59/51/48/1029595148.db2.gz IOSFFSNACCEJJL-QFBILLFUSA-N 2 1 332.488 3.619 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655764089 1029598887 /nfs/dbraw/zinc/59/88/87/1029598887.db2.gz VKOBOBAKXLJIBO-YJBOKZPZSA-N 2 1 334.529 3.703 20 0 EHADMP c1cc(-c2ccccc2)sc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750237 1029618194 /nfs/dbraw/zinc/61/81/94/1029618194.db2.gz FCEGFFCLZOTMST-SFHVURJKSA-N 2 1 342.508 3.758 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508695666 1029740254 /nfs/dbraw/zinc/74/02/54/1029740254.db2.gz ILHRQYRCVJETDL-FCIYXJNOSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508695666 1029740259 /nfs/dbraw/zinc/74/02/59/1029740259.db2.gz ILHRQYRCVJETDL-FCIYXJNOSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508695666 1029740266 /nfs/dbraw/zinc/74/02/66/1029740266.db2.gz ILHRQYRCVJETDL-FCIYXJNOSA-N 2 1 343.559 3.750 20 0 EHADMP COCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)o1 ZINC000127365292 1029870738 /nfs/dbraw/zinc/87/07/38/1029870738.db2.gz VYTFRIVPXUOWGM-UHFFFAOYSA-N 2 1 342.483 3.948 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCCc2c(F)cccc2Cl)CCCO1 ZINC000446973299 1029876769 /nfs/dbraw/zinc/87/67/69/1029876769.db2.gz CLAKTLBHDROEDN-OAHLLOKOSA-N 2 1 342.886 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453309890 1030082529 /nfs/dbraw/zinc/08/25/29/1030082529.db2.gz DXZZOUQLXWCURB-NRSPTQNISA-N 2 1 342.527 3.836 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932158 1030087512 /nfs/dbraw/zinc/08/75/12/1030087512.db2.gz ZIKUHXVQSICMMW-MJGOQNOKSA-N 2 1 343.540 3.696 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000481920949 1030122881 /nfs/dbraw/zinc/12/28/81/1030122881.db2.gz WGMCGJVUVNRFKC-XOKHGSTOSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000481920949 1030122888 /nfs/dbraw/zinc/12/28/88/1030122888.db2.gz WGMCGJVUVNRFKC-XOKHGSTOSA-N 2 1 326.406 3.853 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)CCCO2 ZINC000090586592 1030148566 /nfs/dbraw/zinc/14/85/66/1030148566.db2.gz NPTNHKPSFWYECF-FXAWDEMLSA-N 2 1 346.515 3.867 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)CCCO2 ZINC000090586592 1030148575 /nfs/dbraw/zinc/14/85/75/1030148575.db2.gz NPTNHKPSFWYECF-FXAWDEMLSA-N 2 1 346.515 3.867 20 0 EHADMP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453384384 1030162055 /nfs/dbraw/zinc/16/20/55/1030162055.db2.gz ZSQCBPDAQTUGBY-PXNSSMCTSA-N 2 1 348.556 3.907 20 0 EHADMP Fc1cc(F)cc(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453381865 1030164154 /nfs/dbraw/zinc/16/41/54/1030164154.db2.gz RJDPYJBYSXJUQO-VQTJNVASSA-N 2 1 334.454 3.846 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453413756 1030225367 /nfs/dbraw/zinc/22/53/67/1030225367.db2.gz JEYOBUSBIBGQRA-NCYKPQTJSA-N 2 1 342.527 3.977 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000453444254 1030264686 /nfs/dbraw/zinc/26/46/86/1030264686.db2.gz XVXGIADZIAUPTK-MXEMCNAFSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453430729 1030285414 /nfs/dbraw/zinc/28/54/14/1030285414.db2.gz RFVQLYNPOMBHFN-YSIASYRMSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091889012 1030330005 /nfs/dbraw/zinc/33/00/05/1030330005.db2.gz XRZKNMJXEHEGDR-UHFFFAOYSA-N 2 1 345.462 3.792 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(-c2ccncc2)cc1F)C1CC1 ZINC000453598641 1030357632 /nfs/dbraw/zinc/35/76/32/1030357632.db2.gz PWWXHLGWDDDNEG-UHFFFAOYSA-N 2 1 327.447 3.852 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043114 1030364726 /nfs/dbraw/zinc/36/47/26/1030364726.db2.gz INMDQZDCBDBSJL-CTNGQTDRSA-N 2 1 339.458 3.804 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043114 1030364742 /nfs/dbraw/zinc/36/47/42/1030364742.db2.gz INMDQZDCBDBSJL-CTNGQTDRSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043114 1030364760 /nfs/dbraw/zinc/36/47/60/1030364760.db2.gz INMDQZDCBDBSJL-CTNGQTDRSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043114 1030364779 /nfs/dbraw/zinc/36/47/79/1030364779.db2.gz INMDQZDCBDBSJL-CTNGQTDRSA-N 2 1 339.458 3.804 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000482441583 1030418787 /nfs/dbraw/zinc/41/87/87/1030418787.db2.gz STWFMCHEWULCTN-FPOVZHCZSA-N 2 1 346.559 3.999 20 0 EHADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCCC1 ZINC000526118684 1030435419 /nfs/dbraw/zinc/43/54/19/1030435419.db2.gz NZRQGTLGAVJWNH-YYWHXJBOSA-N 2 1 330.516 3.834 20 0 EHADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCCC1 ZINC000526118684 1030435426 /nfs/dbraw/zinc/43/54/26/1030435426.db2.gz NZRQGTLGAVJWNH-YYWHXJBOSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@@H](C)c3ccc(F)cc3)CCCC2)CC1 ZINC000526119448 1030437682 /nfs/dbraw/zinc/43/76/82/1030437682.db2.gz HHGNZCVNSPJGDK-QGZVFWFLSA-N 2 1 348.506 3.942 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCCC(C)C ZINC000532193040 1030469262 /nfs/dbraw/zinc/46/92/62/1030469262.db2.gz JGMQKWQKKWHCDE-FUHWJXTLSA-N 2 1 334.504 3.550 20 0 EHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482541657 1030509662 /nfs/dbraw/zinc/50/96/62/1030509662.db2.gz VLWQIEFNSRYPSY-HXUWFJFHSA-N 2 1 348.506 3.627 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)C)cc1 ZINC000482564820 1030540231 /nfs/dbraw/zinc/54/02/31/1030540231.db2.gz WRJFEBNTCXPHSL-NRFANRHFSA-N 2 1 344.543 3.797 20 0 EHADMP COc1ccc2oc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000093564205 1030631926 /nfs/dbraw/zinc/63/19/26/1030631926.db2.gz YWGWWDDKWROBEA-KRWDZBQOSA-N 2 1 328.456 3.892 20 0 EHADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000093564205 1030631932 /nfs/dbraw/zinc/63/19/32/1030631932.db2.gz YWGWWDDKWROBEA-KRWDZBQOSA-N 2 1 328.456 3.892 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000583776125 1030704504 /nfs/dbraw/zinc/70/45/04/1030704504.db2.gz QYNWENUSGLVBII-QKNQBKEWSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000583776125 1030704525 /nfs/dbraw/zinc/70/45/25/1030704525.db2.gz QYNWENUSGLVBII-QKNQBKEWSA-N 2 1 331.548 3.750 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881975 1030756627 /nfs/dbraw/zinc/75/66/27/1030756627.db2.gz GAJBLMNFSLYYBN-LEWJYISDSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000482874489 1030774419 /nfs/dbraw/zinc/77/44/19/1030774419.db2.gz OFMNJLDXJZVCIF-UXPWSPDFSA-N 2 1 349.950 3.624 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000482878243 1030776534 /nfs/dbraw/zinc/77/65/34/1030776534.db2.gz ZOTRCKMGQZIYRV-UXPWSPDFSA-N 2 1 349.950 3.767 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508788332 1030849300 /nfs/dbraw/zinc/84/93/00/1030849300.db2.gz FHEUFHVEJGHTFT-CWDSQJGSSA-N 2 1 330.516 3.900 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508788332 1030849317 /nfs/dbraw/zinc/84/93/17/1030849317.db2.gz FHEUFHVEJGHTFT-CWDSQJGSSA-N 2 1 330.516 3.900 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000668188925 1030893920 /nfs/dbraw/zinc/89/39/20/1030893920.db2.gz SKDSNGBOCWSSFU-LJQANCHMSA-N 2 1 327.497 3.646 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188925 1030893938 /nfs/dbraw/zinc/89/39/38/1030893938.db2.gz SKDSNGBOCWSSFU-LJQANCHMSA-N 2 1 327.497 3.646 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c2ccccc21 ZINC000551049812 1030981104 /nfs/dbraw/zinc/98/11/04/1030981104.db2.gz BFJUDMKACNBWGH-IRXDYDNUSA-N 2 1 344.474 3.866 20 0 EHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccn1 ZINC000527538745 1030998254 /nfs/dbraw/zinc/99/82/54/1030998254.db2.gz GYVVTGGKSKPQMO-UHFFFAOYSA-N 2 1 335.495 3.878 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(C(F)(F)F)c1 ZINC000527630797 1031058573 /nfs/dbraw/zinc/05/85/73/1031058573.db2.gz HNQZVPKFSMCFQD-UHFFFAOYSA-N 2 1 330.394 3.676 20 0 EHADMP COc1ccc(F)cc1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551176530 1031076774 /nfs/dbraw/zinc/07/67/74/1031076774.db2.gz ZIQYBJNVHPPMEF-MOPGFXCFSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000551176530 1031076791 /nfs/dbraw/zinc/07/67/91/1031076791.db2.gz ZIQYBJNVHPPMEF-MOPGFXCFSA-N 2 1 328.431 3.759 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000483310378 1031105780 /nfs/dbraw/zinc/10/57/80/1031105780.db2.gz CNYLQDHAANGYFU-ICSRJNTNSA-N 2 1 332.532 3.818 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116397102 1031112702 /nfs/dbraw/zinc/11/27/02/1031112702.db2.gz MGUBNUAQHDYMPL-ROUUACIJSA-N 2 1 347.547 3.895 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762611 1031186708 /nfs/dbraw/zinc/18/67/08/1031186708.db2.gz KUNRVOQYYCAAIK-UTKZUKDTSA-N 2 1 348.494 3.716 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762611 1031186713 /nfs/dbraw/zinc/18/67/13/1031186713.db2.gz KUNRVOQYYCAAIK-UTKZUKDTSA-N 2 1 348.494 3.716 20 0 EHADMP CC(C)OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483497380 1031191568 /nfs/dbraw/zinc/19/15/68/1031191568.db2.gz BCLCBVAWQXSKII-RTWAWAEBSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483497380 1031191583 /nfs/dbraw/zinc/19/15/83/1031191583.db2.gz BCLCBVAWQXSKII-RTWAWAEBSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483497380 1031191594 /nfs/dbraw/zinc/19/15/94/1031191594.db2.gz BCLCBVAWQXSKII-RTWAWAEBSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C3CCCC3)c1)CCO2 ZINC000668277200 1031375109 /nfs/dbraw/zinc/37/51/09/1031375109.db2.gz BEKULOFVJNOMTE-UHFFFAOYSA-N 2 1 328.500 3.641 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000527923777 1031414518 /nfs/dbraw/zinc/41/45/18/1031414518.db2.gz GHJYTTIXZNBFCW-CMOCDZPBSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC/C=C\c2ccc(Br)cc2)CC[N@H+]1C ZINC000527928714 1031432204 /nfs/dbraw/zinc/43/22/04/1031432204.db2.gz GTUYPOMAUJTQNZ-APFCUJBGSA-N 2 1 337.305 3.925 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152191 1031472201 /nfs/dbraw/zinc/47/22/01/1031472201.db2.gz PFHRZBQUDPQIDZ-CZTZKLFOSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152191 1031472208 /nfs/dbraw/zinc/47/22/08/1031472208.db2.gz PFHRZBQUDPQIDZ-CZTZKLFOSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000484163681 1031481323 /nfs/dbraw/zinc/48/13/23/1031481323.db2.gz LWKOFXJKGDWUCW-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000484163681 1031481337 /nfs/dbraw/zinc/48/13/37/1031481337.db2.gz LWKOFXJKGDWUCW-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Br ZINC001168357501 1031607628 /nfs/dbraw/zinc/60/76/28/1031607628.db2.gz CVAORQNEXLSOJU-UHFFFAOYSA-N 2 1 341.268 3.552 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000484489464 1031610810 /nfs/dbraw/zinc/61/08/10/1031610810.db2.gz WQPMOPWWWSODFZ-IFXJQAMLSA-N 2 1 330.497 3.854 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000484489464 1031610821 /nfs/dbraw/zinc/61/08/21/1031610821.db2.gz WQPMOPWWWSODFZ-IFXJQAMLSA-N 2 1 330.497 3.854 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OCC ZINC000178707607 1031716662 /nfs/dbraw/zinc/71/66/62/1031716662.db2.gz IKIZXESQARJMGY-HOTGVXAUSA-N 2 1 345.487 3.976 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC001168357915 1031875899 /nfs/dbraw/zinc/87/58/99/1031875899.db2.gz LAKUZEFKKLCZRL-UHFFFAOYSA-N 2 1 342.405 3.678 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918909 1032001822 /nfs/dbraw/zinc/00/18/22/1032001822.db2.gz VVMVUIOQULACIC-DYESRHJHSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918909 1032001834 /nfs/dbraw/zinc/00/18/34/1032001834.db2.gz VVMVUIOQULACIC-DYESRHJHSA-N 2 1 342.458 3.705 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000904412899 1032024074 /nfs/dbraw/zinc/02/40/74/1032024074.db2.gz YUPWIVXZYHGIEV-WMZOPIPTSA-N 2 1 325.456 3.599 20 0 EHADMP C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)CC[C@H]1C[NH3+] ZINC000904410863 1032024499 /nfs/dbraw/zinc/02/44/99/1032024499.db2.gz QYKDOQOTMBUIPX-IUCAKERBSA-N 2 1 337.714 3.581 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)CC[C@H]1C[NH3+] ZINC000904410863 1032024512 /nfs/dbraw/zinc/02/45/12/1032024512.db2.gz QYKDOQOTMBUIPX-IUCAKERBSA-N 2 1 337.714 3.581 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@H]1SC ZINC000459398132 1032038625 /nfs/dbraw/zinc/03/86/25/1032038625.db2.gz SYADDUFVRQXDCN-IPMKNSEASA-N 2 1 336.545 3.525 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000459401389 1032040537 /nfs/dbraw/zinc/04/05/37/1032040537.db2.gz XPLVJZDPUXIEQJ-QGZVFWFLSA-N 2 1 348.288 3.856 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cccc2C)[C@H](C)C1 ZINC000537958402 1032046828 /nfs/dbraw/zinc/04/68/28/1032046828.db2.gz SXSPZJXSXMQMJQ-CTNGQTDRSA-N 2 1 332.532 3.573 20 0 EHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(C)c1OC(F)F ZINC000685443127 1033334888 /nfs/dbraw/zinc/33/48/88/1033334888.db2.gz GTVGXZHSXODRCQ-SJPCQFCGSA-N 2 1 338.442 3.962 20 0 EHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1OC(F)F ZINC000685443127 1033334901 /nfs/dbraw/zinc/33/49/01/1033334901.db2.gz GTVGXZHSXODRCQ-SJPCQFCGSA-N 2 1 338.442 3.962 20 0 EHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1OC(F)F ZINC000685443127 1033334912 /nfs/dbraw/zinc/33/49/12/1033334912.db2.gz GTVGXZHSXODRCQ-SJPCQFCGSA-N 2 1 338.442 3.962 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000898113084 1033337288 /nfs/dbraw/zinc/33/72/88/1033337288.db2.gz ZFICITGMOXIVQZ-MISYRCLQSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000898113084 1033337301 /nfs/dbraw/zinc/33/73/01/1033337301.db2.gz ZFICITGMOXIVQZ-MISYRCLQSA-N 2 1 328.500 3.731 20 0 EHADMP C[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458018 1033347040 /nfs/dbraw/zinc/34/70/40/1033347040.db2.gz XRVSLBVVSZOFMG-QGZVFWFLSA-N 2 1 349.588 3.646 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000685473487 1033374984 /nfs/dbraw/zinc/37/49/84/1033374984.db2.gz NSJDOMWHPZMAQF-UHFFFAOYSA-N 2 1 326.431 3.637 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(CC2CCC2)c1 ZINC000898179903 1033380611 /nfs/dbraw/zinc/38/06/11/1033380611.db2.gz PGAGCLYANNMXNR-INIZCTEOSA-N 2 1 330.520 3.741 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000594515506 1033422299 /nfs/dbraw/zinc/42/22/99/1033422299.db2.gz SWOFUSDXKGNMFE-CABCVRRESA-N 2 1 343.471 3.809 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000044532851 1033509744 /nfs/dbraw/zinc/50/97/44/1033509744.db2.gz UIUXHUNHOMSXHM-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000398103500 1033611086 /nfs/dbraw/zinc/61/10/86/1033611086.db2.gz AVPBYOPQMBFVJO-FXAWDEMLSA-N 2 1 346.478 3.630 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CSCCF)cc1F ZINC000595019492 1033611247 /nfs/dbraw/zinc/61/12/47/1033611247.db2.gz WWQPDHHEAGONFY-GFCCVEGCSA-N 2 1 325.428 3.501 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1(C)C ZINC000598975342 1033623782 /nfs/dbraw/zinc/62/37/82/1033623782.db2.gz XGWGSHKIHQTYEA-QGZVFWFLSA-N 2 1 332.488 3.604 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1(C)C ZINC000598975342 1033623789 /nfs/dbraw/zinc/62/37/89/1033623789.db2.gz XGWGSHKIHQTYEA-QGZVFWFLSA-N 2 1 332.488 3.604 20 0 EHADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000550608418 1033724999 /nfs/dbraw/zinc/72/49/99/1033724999.db2.gz GOLITZYYSJGJAS-ACRUOGEOSA-N 2 1 331.548 3.778 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550621341 1033736229 /nfs/dbraw/zinc/73/62/29/1033736229.db2.gz JLDGLTVVBKTTCZ-AZUAARDMSA-N 2 1 328.431 3.630 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550621341 1033736247 /nfs/dbraw/zinc/73/62/47/1033736247.db2.gz JLDGLTVVBKTTCZ-AZUAARDMSA-N 2 1 328.431 3.630 20 0 EHADMP FCC1(CF)CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000657970488 1033769588 /nfs/dbraw/zinc/76/95/88/1033769588.db2.gz DFSCFMBHYFJGNX-MISYRCLQSA-N 2 1 348.481 3.965 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C[C@@H]1c1ccccc1 ZINC000550665922 1033836423 /nfs/dbraw/zinc/83/64/23/1033836423.db2.gz RRFFOVDWMYTESR-IRFCIJBXSA-N 2 1 336.479 3.978 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C[C@@H]1c1ccccc1 ZINC000550665922 1033836431 /nfs/dbraw/zinc/83/64/31/1033836431.db2.gz RRFFOVDWMYTESR-IRFCIJBXSA-N 2 1 336.479 3.978 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658097176 1033929506 /nfs/dbraw/zinc/92/95/06/1033929506.db2.gz VNYQFXZOOZTGBW-NQIIRXRSSA-N 2 1 343.559 3.544 20 0 EHADMP CC(C)CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658140415 1033987370 /nfs/dbraw/zinc/98/73/70/1033987370.db2.gz UEBMMLFHROQSJL-NHCUHLMSSA-N 2 1 330.516 3.558 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccs1 ZINC000658143132 1033990359 /nfs/dbraw/zinc/99/03/59/1033990359.db2.gz WVEPDLCMYPRVSP-QZTJIDSGSA-N 2 1 330.497 3.556 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658139405 1034005168 /nfs/dbraw/zinc/00/51/68/1034005168.db2.gz RFXZLITVSJNJJU-WVBUVRCRSA-N 2 1 336.479 3.591 20 0 EHADMP CC[N@H+](Cc1csc(C(=O)OC)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658577 1034092642 /nfs/dbraw/zinc/09/26/42/1034092642.db2.gz CDJGVGOHHZUFEG-UHFFFAOYSA-N 2 1 346.496 3.618 20 0 EHADMP CC[N@@H+](Cc1csc(C(=O)OC)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658577 1034092647 /nfs/dbraw/zinc/09/26/47/1034092647.db2.gz CDJGVGOHHZUFEG-UHFFFAOYSA-N 2 1 346.496 3.618 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529533252 1034119341 /nfs/dbraw/zinc/11/93/41/1034119341.db2.gz KKMDRXKYDNTUGS-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529533252 1034119345 /nfs/dbraw/zinc/11/93/45/1034119345.db2.gz KKMDRXKYDNTUGS-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)C1 ZINC000529535334 1034124031 /nfs/dbraw/zinc/12/40/31/1034124031.db2.gz RPHSMOAHLLYQRP-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP CCc1cc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)on1 ZINC000450325422 1034136633 /nfs/dbraw/zinc/13/66/33/1034136633.db2.gz UDHAMLJOJDLLFP-GOSISDBHSA-N 2 1 333.520 3.614 20 0 EHADMP CCc1cc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)on1 ZINC000450325422 1034136641 /nfs/dbraw/zinc/13/66/41/1034136641.db2.gz UDHAMLJOJDLLFP-GOSISDBHSA-N 2 1 333.520 3.614 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450342695 1034148058 /nfs/dbraw/zinc/14/80/58/1034148058.db2.gz TXYFULZCTDHKQN-SOLBZPMBSA-N 2 1 344.490 3.633 20 0 EHADMP CCc1cc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)on1 ZINC000450351338 1034180760 /nfs/dbraw/zinc/18/07/60/1034180760.db2.gz UTKOPPLJGWUARX-GOSISDBHSA-N 2 1 333.520 3.758 20 0 EHADMP CCc1cc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)on1 ZINC000450351338 1034180766 /nfs/dbraw/zinc/18/07/66/1034180766.db2.gz UTKOPPLJGWUARX-GOSISDBHSA-N 2 1 333.520 3.758 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](CCCCCCO)Cc2ccccc2)CC1 ZINC001168328288 1034186184 /nfs/dbraw/zinc/18/61/84/1034186184.db2.gz DHEMNZFILISDNX-UHFFFAOYSA-N 2 1 332.532 3.914 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000658318415 1034194641 /nfs/dbraw/zinc/19/46/41/1034194641.db2.gz PZMQPPCJGGZGTQ-AZUAARDMSA-N 2 1 342.527 3.836 20 0 EHADMP COC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658319462 1034196791 /nfs/dbraw/zinc/19/67/91/1034196791.db2.gz BHQVJTMVFJBPRO-QNGMFEMESA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H](O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000658360224 1034241448 /nfs/dbraw/zinc/24/14/48/1034241448.db2.gz HMRFONPZSHHMEQ-SEONNTABSA-N 2 1 330.516 3.741 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000658364216 1034241930 /nfs/dbraw/zinc/24/19/30/1034241930.db2.gz YLGWBBAQNFJCOI-QYWGDWMGSA-N 2 1 335.451 3.953 20 0 EHADMP C[C@H](CC[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421828537 1034251861 /nfs/dbraw/zinc/25/18/61/1034251861.db2.gz DEULLIXEBSBHEO-NQIIRXRSSA-N 2 1 337.511 3.829 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(C/C(C)=C\c2ccccc2COC)C1 ZINC000508827742 1034258539 /nfs/dbraw/zinc/25/85/39/1034258539.db2.gz LWIWKEZTULGBPC-CWDSQJGSSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827742 1034258545 /nfs/dbraw/zinc/25/85/45/1034258545.db2.gz LWIWKEZTULGBPC-CWDSQJGSSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827742 1034258558 /nfs/dbraw/zinc/25/85/58/1034258558.db2.gz LWIWKEZTULGBPC-CWDSQJGSSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827742 1034258567 /nfs/dbraw/zinc/25/85/67/1034258567.db2.gz LWIWKEZTULGBPC-CWDSQJGSSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508827742 1034258578 /nfs/dbraw/zinc/25/85/78/1034258578.db2.gz LWIWKEZTULGBPC-CWDSQJGSSA-N 2 1 330.516 3.900 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450468488 1034383036 /nfs/dbraw/zinc/38/30/36/1034383036.db2.gz OGQJVRPQCJQFSN-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000450468488 1034383043 /nfs/dbraw/zinc/38/30/43/1034383043.db2.gz OGQJVRPQCJQFSN-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450468488 1034383049 /nfs/dbraw/zinc/38/30/49/1034383049.db2.gz OGQJVRPQCJQFSN-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450468488 1034383063 /nfs/dbraw/zinc/38/30/63/1034383063.db2.gz OGQJVRPQCJQFSN-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP COc1ccc(OC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000534317072 1034389355 /nfs/dbraw/zinc/38/93/55/1034389355.db2.gz YPAMTZBRHZSZGC-UHFFFAOYSA-N 2 1 343.471 3.524 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329366 1034404213 /nfs/dbraw/zinc/40/42/13/1034404213.db2.gz NOXXCYSXEINTKG-KGLIPLIRSA-N 2 1 340.870 3.631 20 0 EHADMP COc1cc2c(cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)O[C@H](C)C2 ZINC000534346949 1034418781 /nfs/dbraw/zinc/41/87/81/1034418781.db2.gz CKKSFQRUOVMIDO-MRXNPFEDSA-N 2 1 346.515 3.571 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC000390852220 1034894694 /nfs/dbraw/zinc/89/46/94/1034894694.db2.gz IUWBAQICWYERKM-OAQYLSRUSA-N 2 1 338.495 3.956 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC000390852220 1034894700 /nfs/dbraw/zinc/89/47/00/1034894700.db2.gz IUWBAQICWYERKM-OAQYLSRUSA-N 2 1 338.495 3.956 20 0 EHADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000289722346 1035150056 /nfs/dbraw/zinc/15/00/56/1035150056.db2.gz GBFPFCCXCSWXLR-SFHVURJKSA-N 2 1 329.513 3.843 20 0 EHADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000289722346 1035150059 /nfs/dbraw/zinc/15/00/59/1035150059.db2.gz GBFPFCCXCSWXLR-SFHVURJKSA-N 2 1 329.513 3.843 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000668785985 1035226115 /nfs/dbraw/zinc/22/61/15/1035226115.db2.gz RYHVMIGFRQEUDI-OAQYLSRUSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000668785985 1035226121 /nfs/dbraw/zinc/22/61/21/1035226121.db2.gz RYHVMIGFRQEUDI-OAQYLSRUSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000668786317 1035227924 /nfs/dbraw/zinc/22/79/24/1035227924.db2.gz YYCCWQNBJGFEIM-LJQANCHMSA-N 2 1 344.524 3.958 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000668786317 1035227928 /nfs/dbraw/zinc/22/79/28/1035227928.db2.gz YYCCWQNBJGFEIM-LJQANCHMSA-N 2 1 344.524 3.958 20 0 EHADMP C[NH+]1CCC(C[N@@H+]2CC=C(c3ccc(Br)cc3)CC2)CC1 ZINC001207402256 1035312196 /nfs/dbraw/zinc/31/21/96/1035312196.db2.gz KOLUVOOOTINTKA-UHFFFAOYSA-N 2 1 349.316 3.880 20 0 EHADMP COc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)cc2)c(F)c1 ZINC000177805169 1035399171 /nfs/dbraw/zinc/39/91/71/1035399171.db2.gz TXVVYJUSIQFLLK-CQSZACIVSA-N 2 1 325.387 3.871 20 0 EHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696895 1035594167 /nfs/dbraw/zinc/59/41/67/1035594167.db2.gz YQDHBNXIVCBBGX-ZFWWWQNUSA-N 2 1 330.394 3.676 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCc1cccs1 ZINC000571696574 1035595520 /nfs/dbraw/zinc/59/55/20/1035595520.db2.gz BKXWARFLMWHAKI-HOCLYGCPSA-N 2 1 346.496 3.647 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCc1cccs1 ZINC000571696574 1035595532 /nfs/dbraw/zinc/59/55/32/1035595532.db2.gz BKXWARFLMWHAKI-HOCLYGCPSA-N 2 1 346.496 3.647 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000761438822 1035612356 /nfs/dbraw/zinc/61/23/56/1035612356.db2.gz YJERBIWLJZDHMO-IRFCIJBXSA-N 2 1 328.500 3.640 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000761438822 1035612362 /nfs/dbraw/zinc/61/23/62/1035612362.db2.gz YJERBIWLJZDHMO-IRFCIJBXSA-N 2 1 328.500 3.640 20 0 EHADMP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1([NH+]2CCCCC2)CCCCC1 ZINC000534798501 1035628396 /nfs/dbraw/zinc/62/83/96/1035628396.db2.gz PQLJGBACODBYBQ-QRVBRYPASA-N 2 1 332.532 3.722 20 0 EHADMP C[C@@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351896 1035653823 /nfs/dbraw/zinc/65/38/23/1035653823.db2.gz NUKOEWWLIXFKNX-IEBWSBKVSA-N 2 1 342.458 3.705 20 0 EHADMP CC(C)c1[nH+]c(CN2CC[C@H]([NH+]3CCCCC3)C2)c2ccccn21 ZINC000571886862 1035773689 /nfs/dbraw/zinc/77/36/89/1035773689.db2.gz FPEPTRWKCDSEGH-KRWDZBQOSA-N 2 1 326.488 3.518 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000414165828 1035849246 /nfs/dbraw/zinc/84/92/46/1035849246.db2.gz CUZSXMJBUFSZDV-ZHMMRPBMSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)(C)OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000540976174 1035862120 /nfs/dbraw/zinc/86/21/20/1035862120.db2.gz JIWKBWBAGBNZCR-VAMGGRTRSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000414184855 1035944939 /nfs/dbraw/zinc/94/49/39/1035944939.db2.gz OMWAWCVTSRIVEO-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP COC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000414197833 1036023643 /nfs/dbraw/zinc/02/36/43/1036023643.db2.gz ZENADIVXVKIROP-MFRAEPQCSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414203093 1036039886 /nfs/dbraw/zinc/03/98/86/1036039886.db2.gz ZDKQHSYFOSSUOM-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414203093 1036039907 /nfs/dbraw/zinc/03/99/07/1036039907.db2.gz ZDKQHSYFOSSUOM-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414203093 1036039930 /nfs/dbraw/zinc/03/99/30/1036039930.db2.gz ZDKQHSYFOSSUOM-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203093 1036039948 /nfs/dbraw/zinc/03/99/48/1036039948.db2.gz ZDKQHSYFOSSUOM-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203093 1036039971 /nfs/dbraw/zinc/03/99/71/1036039971.db2.gz ZDKQHSYFOSSUOM-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572285010 1036072435 /nfs/dbraw/zinc/07/24/35/1036072435.db2.gz QLILCTDMGGZNLH-IBGZPJMESA-N 2 1 339.483 3.621 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572285010 1036072455 /nfs/dbraw/zinc/07/24/55/1036072455.db2.gz QLILCTDMGGZNLH-IBGZPJMESA-N 2 1 339.483 3.621 20 0 EHADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000464094945 1036108448 /nfs/dbraw/zinc/10/84/48/1036108448.db2.gz INHZUKXLFWVCBS-UXHICEINSA-N 2 1 342.527 3.803 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000892570778 1036198967 /nfs/dbraw/zinc/19/89/67/1036198967.db2.gz OAGHMEIFTAVTRO-KRWDZBQOSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000892570778 1036198985 /nfs/dbraw/zinc/19/89/85/1036198985.db2.gz OAGHMEIFTAVTRO-KRWDZBQOSA-N 2 1 338.499 3.882 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)o1 ZINC000892574058 1036210155 /nfs/dbraw/zinc/21/01/55/1036210155.db2.gz IMMXMKGKWFCFJP-MRXNPFEDSA-N 2 1 328.456 3.810 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)o1 ZINC000892574058 1036210170 /nfs/dbraw/zinc/21/01/70/1036210170.db2.gz IMMXMKGKWFCFJP-MRXNPFEDSA-N 2 1 328.456 3.810 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000414245961 1036264144 /nfs/dbraw/zinc/26/41/44/1036264144.db2.gz RRYBDTOJEYNXGO-GJZGRUSLSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414245961 1036264163 /nfs/dbraw/zinc/26/41/63/1036264163.db2.gz RRYBDTOJEYNXGO-GJZGRUSLSA-N 2 1 343.696 3.819 20 0 EHADMP Cc1ccc(Br)c(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000414267374 1036349772 /nfs/dbraw/zinc/34/97/72/1036349772.db2.gz SUGUXPIXQXZLNE-XJKCOSOUSA-N 2 1 325.294 3.576 20 0 EHADMP Cc1ccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C(C)C)s1 ZINC000191460856 1036389260 /nfs/dbraw/zinc/38/92/60/1036389260.db2.gz KPTMFVCAMRZPOZ-UHFFFAOYSA-N 2 1 337.577 3.683 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1 ZINC000414279792 1036434456 /nfs/dbraw/zinc/43/44/56/1036434456.db2.gz BLSFJVIWFJZXNI-IRXDYDNUSA-N 2 1 338.499 3.553 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000192058995 1036462805 /nfs/dbraw/zinc/46/28/05/1036462805.db2.gz PLMOZZDUBXBABV-JOCHJYFZSA-N 2 1 347.462 3.663 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CC1(F)F ZINC000666229572 1036520285 /nfs/dbraw/zinc/52/02/85/1036520285.db2.gz RLULLAXBQKLBHS-YCVVXREPSA-N 2 1 334.454 3.920 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000414345312 1036823999 /nfs/dbraw/zinc/82/39/99/1036823999.db2.gz SKSZADVFFGYKMI-JJBAYQRUSA-N 2 1 330.516 3.570 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542904 1037066847 /nfs/dbraw/zinc/06/68/47/1037066847.db2.gz DNDOONKMRKRUKG-SJORKVTESA-N 2 1 327.447 3.586 20 0 EHADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000591151479 1037250569 /nfs/dbraw/zinc/25/05/69/1037250569.db2.gz JLLISOMZDAKZIM-FQEVSTJZSA-N 2 1 343.515 3.528 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(F)ccc(F)c2Cl)C[C@H](C)O1 ZINC000623424824 1037263261 /nfs/dbraw/zinc/26/32/61/1037263261.db2.gz GKXQJQLOIWGXKL-BETUJISGSA-N 2 1 346.849 3.597 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000044533487 1037357522 /nfs/dbraw/zinc/35/75/22/1037357522.db2.gz GEFCFLFNPCNYHL-BZOOQXSSSA-N 2 1 337.305 3.627 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC000491359127 1037419513 /nfs/dbraw/zinc/41/95/13/1037419513.db2.gz JJUQMGFDVCYKPN-GCJKJVERSA-N 2 1 344.543 3.792 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000532536492 1037566216 /nfs/dbraw/zinc/56/62/16/1037566216.db2.gz MODMZKDBYAGDGA-UHFFFAOYSA-N 2 1 344.499 3.606 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000303638511 1037623440 /nfs/dbraw/zinc/62/34/40/1037623440.db2.gz RQGQKKBXEFEDHP-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000303638511 1037623446 /nfs/dbraw/zinc/62/34/46/1037623446.db2.gz RQGQKKBXEFEDHP-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000303638511 1037623452 /nfs/dbraw/zinc/62/34/52/1037623452.db2.gz RQGQKKBXEFEDHP-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000303638511 1037623465 /nfs/dbraw/zinc/62/34/65/1037623465.db2.gz RQGQKKBXEFEDHP-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP CC1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001168216667 1037721524 /nfs/dbraw/zinc/72/15/24/1037721524.db2.gz BKYIZXUYSFUAQO-UHFFFAOYSA-N 2 1 327.516 3.948 20 0 EHADMP C[NH+](C)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000463140598 1037788114 /nfs/dbraw/zinc/78/81/14/1037788114.db2.gz LSTSTLWJAWYJOT-OAQYLSRUSA-N 2 1 329.532 3.756 20 0 EHADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463137862 1037800774 /nfs/dbraw/zinc/80/07/74/1037800774.db2.gz UIKXHXKOFMFLCX-PZJWPPBQSA-N 2 1 343.559 3.894 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463148771 1037820092 /nfs/dbraw/zinc/82/00/92/1037820092.db2.gz HKGZUWUYHASVHF-HMXCVIKNSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463148771 1037820109 /nfs/dbraw/zinc/82/01/09/1037820109.db2.gz HKGZUWUYHASVHF-HMXCVIKNSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463148771 1037820131 /nfs/dbraw/zinc/82/01/31/1037820131.db2.gz HKGZUWUYHASVHF-HMXCVIKNSA-N 2 1 329.532 3.504 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000463206945 1037878487 /nfs/dbraw/zinc/87/84/87/1037878487.db2.gz RFKQPLQVJWNNEB-GMAHTHKFSA-N 2 1 334.507 3.914 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494165326 1037895396 /nfs/dbraw/zinc/89/53/96/1037895396.db2.gz ULBBJBCCKFZHEB-CYBMUJFWSA-N 2 1 345.712 3.924 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1SC ZINC000592377098 1037919065 /nfs/dbraw/zinc/91/90/65/1037919065.db2.gz NLNOQUXFWLQCAL-RUGGUXRKSA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1SC ZINC000592377098 1037919069 /nfs/dbraw/zinc/91/90/69/1037919069.db2.gz NLNOQUXFWLQCAL-RUGGUXRKSA-N 2 1 348.556 3.538 20 0 EHADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463252712 1037955762 /nfs/dbraw/zinc/95/57/62/1037955762.db2.gz SRFODNHKVXLAFW-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000173327262 1038035862 /nfs/dbraw/zinc/03/58/62/1038035862.db2.gz NNAFLKPTNTXZEA-LJQANCHMSA-N 2 1 337.511 3.675 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000173391712 1038066178 /nfs/dbraw/zinc/06/61/78/1038066178.db2.gz OQXVCXMASQWFAG-GOSISDBHSA-N 2 1 331.548 3.662 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000188141940 1038111603 /nfs/dbraw/zinc/11/16/03/1038111603.db2.gz JOPPVYCZLVMSIN-HOCLYGCPSA-N 2 1 339.321 3.702 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@@H](C)C1 ZINC000538737925 1038501646 /nfs/dbraw/zinc/50/16/46/1038501646.db2.gz LDGRKXLQKMJMOM-PKOBYXMFSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@@H](C)C1 ZINC000538737925 1038501655 /nfs/dbraw/zinc/50/16/55/1038501655.db2.gz LDGRKXLQKMJMOM-PKOBYXMFSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@@H](C)C1 ZINC000538737925 1038501665 /nfs/dbraw/zinc/50/16/65/1038501665.db2.gz LDGRKXLQKMJMOM-PKOBYXMFSA-N 2 1 348.531 3.892 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc3nccn32)C[N@H+]1Cc1ccccc1 ZINC000538753490 1038517985 /nfs/dbraw/zinc/51/79/85/1038517985.db2.gz QIVWOTNIVWFYAG-AZUAARDMSA-N 2 1 348.494 3.725 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCSc2ccc(F)cc2F)C1 ZINC000659973448 1038575110 /nfs/dbraw/zinc/57/51/10/1038575110.db2.gz DXHZLUDSGNKCQF-OAHLLOKOSA-N 2 1 340.483 3.721 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379244 1038668705 /nfs/dbraw/zinc/66/87/05/1038668705.db2.gz UIAXTVPGBRKIBX-CQSZACIVSA-N 2 1 333.863 3.645 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379244 1038668707 /nfs/dbraw/zinc/66/87/07/1038668707.db2.gz UIAXTVPGBRKIBX-CQSZACIVSA-N 2 1 333.863 3.645 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379244 1038668711 /nfs/dbraw/zinc/66/87/11/1038668711.db2.gz UIAXTVPGBRKIBX-CQSZACIVSA-N 2 1 333.863 3.645 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379244 1038668716 /nfs/dbraw/zinc/66/87/16/1038668716.db2.gz UIAXTVPGBRKIBX-CQSZACIVSA-N 2 1 333.863 3.645 20 0 EHADMP Cc1ccc(CC[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073007 1038670155 /nfs/dbraw/zinc/67/01/55/1038670155.db2.gz GYGABILPQRUXKN-AQNXPRMDSA-N 2 1 332.532 3.795 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539094044 1038680316 /nfs/dbraw/zinc/68/03/16/1038680316.db2.gz SLCMGQQQYQWANZ-TZIWHRDSSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539094044 1038680320 /nfs/dbraw/zinc/68/03/20/1038680320.db2.gz SLCMGQQQYQWANZ-TZIWHRDSSA-N 2 1 338.495 3.874 20 0 EHADMP Cn1cccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552048043 1038917299 /nfs/dbraw/zinc/91/72/99/1038917299.db2.gz FLJBKJBOVOXOFA-KSEOMHKRSA-N 2 1 337.511 3.806 20 0 EHADMP COC1(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000339193498 1039016192 /nfs/dbraw/zinc/01/61/92/1039016192.db2.gz FWSXAMRRGUYEJQ-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000339193498 1039016215 /nfs/dbraw/zinc/01/62/15/1039016215.db2.gz FWSXAMRRGUYEJQ-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000339193498 1039016234 /nfs/dbraw/zinc/01/62/34/1039016234.db2.gz FWSXAMRRGUYEJQ-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CNCc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000480028062 1039054469 /nfs/dbraw/zinc/05/44/69/1039054469.db2.gz WWMDDPOAHPGOCQ-GOSISDBHSA-N 2 1 346.515 3.852 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000480028062 1039054486 /nfs/dbraw/zinc/05/44/86/1039054486.db2.gz WWMDDPOAHPGOCQ-GOSISDBHSA-N 2 1 346.515 3.852 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000480028062 1039054507 /nfs/dbraw/zinc/05/45/07/1039054507.db2.gz WWMDDPOAHPGOCQ-GOSISDBHSA-N 2 1 346.515 3.852 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480050537 1039089168 /nfs/dbraw/zinc/08/91/68/1039089168.db2.gz WGXRPKLURFEYQC-IEBWSBKVSA-N 2 1 334.479 3.934 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000552248387 1039090165 /nfs/dbraw/zinc/09/01/65/1039090165.db2.gz FKKROQPWYKHPDK-HYVNUMGLSA-N 2 1 326.406 3.710 20 0 EHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000898483039 1039112064 /nfs/dbraw/zinc/11/20/64/1039112064.db2.gz IJRMTOZYMHJTIO-LESCRADOSA-N 2 1 341.455 3.563 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1Br ZINC000552283368 1039136213 /nfs/dbraw/zinc/13/62/13/1039136213.db2.gz AZBQJVBQUDLVHV-BZUAXINKSA-N 2 1 337.305 3.720 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1Br ZINC000552283368 1039136219 /nfs/dbraw/zinc/13/62/19/1039136219.db2.gz AZBQJVBQUDLVHV-BZUAXINKSA-N 2 1 337.305 3.720 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1Br ZINC000552283369 1039136461 /nfs/dbraw/zinc/13/64/61/1039136461.db2.gz AZBQJVBQUDLVHV-OAGGEKHMSA-N 2 1 337.305 3.720 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1Br ZINC000552283369 1039136462 /nfs/dbraw/zinc/13/64/62/1039136462.db2.gz AZBQJVBQUDLVHV-OAGGEKHMSA-N 2 1 337.305 3.720 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000480094122 1039145604 /nfs/dbraw/zinc/14/56/04/1039145604.db2.gz OTXYEFAGPBFJFA-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000478026555 1039150449 /nfs/dbraw/zinc/15/04/49/1039150449.db2.gz JKCDCHRSWROLFI-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000478026555 1039150454 /nfs/dbraw/zinc/15/04/54/1039150454.db2.gz JKCDCHRSWROLFI-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000478026555 1039150459 /nfs/dbraw/zinc/15/04/59/1039150459.db2.gz JKCDCHRSWROLFI-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000478026555 1039150461 /nfs/dbraw/zinc/15/04/61/1039150461.db2.gz JKCDCHRSWROLFI-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519291 1039189338 /nfs/dbraw/zinc/18/93/38/1039189338.db2.gz OLAZBLMSSKNHBV-PBASOCQRSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000898519675 1039189966 /nfs/dbraw/zinc/18/99/66/1039189966.db2.gz QDDCNADULVAWJP-CEXWTWQISA-N 2 1 341.524 3.842 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523128 1039199917 /nfs/dbraw/zinc/19/99/17/1039199917.db2.gz ZSFRFKNVYCABPY-HSALFYBXSA-N 2 1 339.483 3.682 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000552336377 1039210144 /nfs/dbraw/zinc/21/01/44/1039210144.db2.gz BDIHIQJXKCETPB-GIVPXCGWSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552336377 1039210157 /nfs/dbraw/zinc/21/01/57/1039210157.db2.gz BDIHIQJXKCETPB-GIVPXCGWSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552336377 1039210169 /nfs/dbraw/zinc/21/01/69/1039210169.db2.gz BDIHIQJXKCETPB-GIVPXCGWSA-N 2 1 329.532 3.504 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000552437242 1039282910 /nfs/dbraw/zinc/28/29/10/1039282910.db2.gz RULDMQGSCSBXRB-CJNGLKHVSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000552437242 1039282924 /nfs/dbraw/zinc/28/29/24/1039282924.db2.gz RULDMQGSCSBXRB-CJNGLKHVSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000552437242 1039282930 /nfs/dbraw/zinc/28/29/30/1039282930.db2.gz RULDMQGSCSBXRB-CJNGLKHVSA-N 2 1 328.859 3.520 20 0 EHADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554372533 1039285515 /nfs/dbraw/zinc/28/55/15/1039285515.db2.gz NNCGPGONIMCPFU-QTMHVTGLSA-N 2 1 334.454 3.920 20 0 EHADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159847 1039330577 /nfs/dbraw/zinc/33/05/77/1039330577.db2.gz UXSPXRONLAWMCO-VQTJNVASSA-N 2 1 336.483 3.943 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCC4CCOCC4)CC[C@@H]32)cc1 ZINC000432830623 1039478560 /nfs/dbraw/zinc/47/85/60/1039478560.db2.gz ROIQIDLLFULENM-VXKWHMMOSA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCC4CCOCC4)CC[C@@H]32)cc1 ZINC000432830623 1039478572 /nfs/dbraw/zinc/47/85/72/1039478572.db2.gz ROIQIDLLFULENM-VXKWHMMOSA-N 2 1 342.527 3.790 20 0 EHADMP Clc1cnccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310293582 1039638264 /nfs/dbraw/zinc/63/82/64/1039638264.db2.gz SBFGSODUGFNJGJ-HKUYNNGSSA-N 2 1 341.886 3.689 20 0 EHADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000480615555 1039759459 /nfs/dbraw/zinc/75/94/59/1039759459.db2.gz POVGBBMPZRCUCT-QYZOEREBSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCCC[C@H]1C ZINC000480615555 1039759476 /nfs/dbraw/zinc/75/94/76/1039759476.db2.gz POVGBBMPZRCUCT-QYZOEREBSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931816 /nfs/dbraw/zinc/93/18/16/1039931816.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931837 /nfs/dbraw/zinc/93/18/37/1039931837.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931855 /nfs/dbraw/zinc/93/18/55/1039931855.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931868 /nfs/dbraw/zinc/93/18/68/1039931868.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000480722396 1039931899 /nfs/dbraw/zinc/93/18/99/1039931899.db2.gz PSEQDFUWRKVHHQ-WEMPKCCASA-N 2 1 343.559 3.594 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000549808367 1039944098 /nfs/dbraw/zinc/94/40/98/1039944098.db2.gz NJSLQQHJYIPULN-SFHVURJKSA-N 2 1 340.515 3.559 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000549808367 1039944105 /nfs/dbraw/zinc/94/41/05/1039944105.db2.gz NJSLQQHJYIPULN-SFHVURJKSA-N 2 1 340.515 3.559 20 0 EHADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549821621 1039982119 /nfs/dbraw/zinc/98/21/19/1039982119.db2.gz CXMQDQLIBGHDRI-SOAGJPPSSA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549821621 1039982137 /nfs/dbraw/zinc/98/21/37/1039982137.db2.gz CXMQDQLIBGHDRI-SOAGJPPSSA-N 2 1 330.516 3.833 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@@H]2CCC[C@@H]21 ZINC000584830886 1040007429 /nfs/dbraw/zinc/00/74/29/1040007429.db2.gz VGRJSGZDLOTCEL-UFYCRDLUSA-N 2 1 330.516 3.964 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549840756 1040020011 /nfs/dbraw/zinc/02/00/11/1040020011.db2.gz NUCPZGDYVWIVCD-QGZVFWFLSA-N 2 1 343.298 3.790 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549840756 1040020028 /nfs/dbraw/zinc/02/00/28/1040020028.db2.gz NUCPZGDYVWIVCD-QGZVFWFLSA-N 2 1 343.298 3.790 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549840756 1040020050 /nfs/dbraw/zinc/02/00/50/1040020050.db2.gz NUCPZGDYVWIVCD-QGZVFWFLSA-N 2 1 343.298 3.790 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000479252043 1040072885 /nfs/dbraw/zinc/07/28/85/1040072885.db2.gz SKAOAXVADAQUSL-ZRGWGRIASA-N 2 1 336.907 3.806 20 0 EHADMP CCCn1nccc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000667758042 1040077644 /nfs/dbraw/zinc/07/76/44/1040077644.db2.gz SPVQHYIZLJXTBV-UHFFFAOYSA-N 2 1 332.536 3.627 20 0 EHADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441972 1040234618 /nfs/dbraw/zinc/23/46/18/1040234618.db2.gz BSJZRDBZFOREPR-CBQOVEMMSA-N 2 1 338.495 3.874 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463039 1040263484 /nfs/dbraw/zinc/26/34/84/1040263484.db2.gz HUYMYWWJNPKOCO-NQIIRXRSSA-N 2 1 336.479 3.794 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465776 1040266777 /nfs/dbraw/zinc/26/67/77/1040266777.db2.gz PUAGHQDSKBMMAO-PKOBYXMFSA-N 2 1 336.479 3.890 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000481020528 1040279592 /nfs/dbraw/zinc/27/95/92/1040279592.db2.gz HPGRMZJHEFCDJF-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000481020528 1040279604 /nfs/dbraw/zinc/27/96/04/1040279604.db2.gz HPGRMZJHEFCDJF-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000154468658 1040328053 /nfs/dbraw/zinc/32/80/53/1040328053.db2.gz AZHQLMMXWMZLJK-UHFFFAOYSA-N 2 1 337.511 3.849 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000512637449 1040362837 /nfs/dbraw/zinc/36/28/37/1040362837.db2.gz VYNKRZDHQPILDE-BHDDXSALSA-N 2 1 342.527 3.693 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@@H](C)C1 ZINC000555336232 1040451810 /nfs/dbraw/zinc/45/18/10/1040451810.db2.gz QYHDJWRRHBMAOE-FXAWDEMLSA-N 2 1 340.515 3.558 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000553886503 1040571253 /nfs/dbraw/zinc/57/12/53/1040571253.db2.gz NTHSELAFUQSQKR-LVCYWYKZSA-N 2 1 342.527 3.538 20 0 EHADMP Cc1ccc2ncc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cc2c1 ZINC000411244720 1040603546 /nfs/dbraw/zinc/60/35/46/1040603546.db2.gz ISGWLIINMTZFIG-UHFFFAOYSA-N 2 1 334.467 3.731 20 0 EHADMP c1[nH+]c(C2CC[NH+](Cc3cccc4c3OCC4)CC2)n2c1CCCC2 ZINC000894114568 1040680167 /nfs/dbraw/zinc/68/01/67/1040680167.db2.gz ZRMSCNULPFILIC-UHFFFAOYSA-N 2 1 337.467 3.534 20 0 EHADMP COc1cc2cc[nH+]c(NCCCC[N@@H+](C)C3CC3)c2cc1OC ZINC000663994696 1040732111 /nfs/dbraw/zinc/73/21/11/1040732111.db2.gz UQEAKIKOFIQTJT-UHFFFAOYSA-N 2 1 329.444 3.538 20 0 EHADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481418402 1040880560 /nfs/dbraw/zinc/88/05/60/1040880560.db2.gz UCNZQEXTDTXDEE-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481418402 1040880571 /nfs/dbraw/zinc/88/05/71/1040880571.db2.gz UCNZQEXTDTXDEE-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875184 1040952662 /nfs/dbraw/zinc/95/26/62/1040952662.db2.gz WAGHCUQZHPLNLR-OXQOHEQNSA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875184 1040952677 /nfs/dbraw/zinc/95/26/77/1040952677.db2.gz WAGHCUQZHPLNLR-OXQOHEQNSA-N 2 1 348.556 3.755 20 0 EHADMP Clc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997159 1041058009 /nfs/dbraw/zinc/05/80/09/1041058009.db2.gz ZOQCJPIOCGHGCM-ZDUSSCGKSA-N 2 1 343.696 3.867 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433293535 1041231150 /nfs/dbraw/zinc/23/11/50/1041231150.db2.gz FVBVOWSAZVBCRT-INIZCTEOSA-N 2 1 348.288 3.519 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433293535 1041231164 /nfs/dbraw/zinc/23/11/64/1041231164.db2.gz FVBVOWSAZVBCRT-INIZCTEOSA-N 2 1 348.288 3.519 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC[N@H+]1C ZINC000481725505 1041300971 /nfs/dbraw/zinc/30/09/71/1041300971.db2.gz OSCBGBFUZHEZLX-IERDGZPVSA-N 2 1 336.479 3.861 20 0 EHADMP CO[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000660436969 1041352156 /nfs/dbraw/zinc/35/21/56/1041352156.db2.gz UMHPDRLSNSBFGE-LJQANCHMSA-N 2 1 331.504 3.604 20 0 EHADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000293587845 1041386185 /nfs/dbraw/zinc/38/61/85/1041386185.db2.gz FGKFETBFRYRHBD-CYBMUJFWSA-N 2 1 341.318 3.714 20 0 EHADMP OCC1([N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCC1 ZINC000660770392 1041814091 /nfs/dbraw/zinc/81/40/91/1041814091.db2.gz FCSXUNHEAVNJMO-UHFFFAOYSA-N 2 1 328.500 3.552 20 0 EHADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348571 1042409733 /nfs/dbraw/zinc/40/97/33/1042409733.db2.gz IRQPASUZQXYISI-JECZMYCTSA-N 2 1 338.442 3.634 20 0 EHADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1Cl ZINC000662250663 1042634808 /nfs/dbraw/zinc/63/48/08/1042634808.db2.gz LHKGKCWCUJQVLJ-CZUORRHYSA-N 2 1 341.282 3.651 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263439 1042641600 /nfs/dbraw/zinc/64/16/00/1042641600.db2.gz BHOLYCUBBJYTHP-BBRMVZONSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263439 1042641602 /nfs/dbraw/zinc/64/16/02/1042641602.db2.gz BHOLYCUBBJYTHP-BBRMVZONSA-N 2 1 326.456 3.521 20 0 EHADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cs2)o1 ZINC000662292595 1042663028 /nfs/dbraw/zinc/66/30/28/1042663028.db2.gz OPQUSPALLHCHIS-MRXNPFEDSA-N 2 1 345.512 3.923 20 0 EHADMP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662293068 1042663416 /nfs/dbraw/zinc/66/34/16/1042663416.db2.gz JMDBYSUPIVESEN-KRWDZBQOSA-N 2 1 343.446 3.692 20 0 EHADMP c1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)onc1-c1ccccc1 ZINC000662295134 1042664038 /nfs/dbraw/zinc/66/40/38/1042664038.db2.gz FKKPFWFVXGSZCR-SFHVURJKSA-N 2 1 325.456 3.553 20 0 EHADMP C[C@H](CCSc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326040 1042684535 /nfs/dbraw/zinc/68/45/35/1042684535.db2.gz UWHIHTKZNHKECS-MSOLQXFVSA-N 2 1 336.545 3.600 20 0 EHADMP Cc1csc([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000162336086 1042723369 /nfs/dbraw/zinc/72/33/69/1042723369.db2.gz GCCKTIKEOPTEME-GJZGRUSLSA-N 2 1 333.501 3.804 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344231 1042726622 /nfs/dbraw/zinc/72/66/22/1042726622.db2.gz PQRCANXUSRPCNV-VOMPUTFMSA-N 2 1 342.527 3.948 20 0 EHADMP Oc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(C(F)(F)F)c1 ZINC000663343670 1042727370 /nfs/dbraw/zinc/72/73/70/1042727370.db2.gz ATLVIXKRZMDMKM-CQSZACIVSA-N 2 1 342.405 3.623 20 0 EHADMP Oc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(C(F)(F)F)c1 ZINC000663343670 1042727371 /nfs/dbraw/zinc/72/73/71/1042727371.db2.gz ATLVIXKRZMDMKM-CQSZACIVSA-N 2 1 342.405 3.623 20 0 EHADMP Brc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347859 1042735323 /nfs/dbraw/zinc/73/53/23/1042735323.db2.gz YBNBPNSTLUNUME-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246067194 1042794748 /nfs/dbraw/zinc/79/47/48/1042794748.db2.gz ZPNFMZQQGSWZIR-HZPDHXFCSA-N 2 1 326.488 3.943 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643475781 1042946869 /nfs/dbraw/zinc/94/68/69/1042946869.db2.gz LMFVWLNNOLCZHA-CGNZLSCGSA-N 2 1 346.515 3.814 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001167826592 1042960560 /nfs/dbraw/zinc/96/05/60/1042960560.db2.gz RAXQRPIYICKWPW-ILWGZMRPSA-N 2 1 343.559 3.703 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000162683251 1043004756 /nfs/dbraw/zinc/00/47/56/1043004756.db2.gz DMZTVTAFHJTKII-UHFFFAOYSA-N 2 1 338.455 3.993 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3ccccc3)c2)CCCO1 ZINC000432356021 1043018322 /nfs/dbraw/zinc/01/83/22/1043018322.db2.gz AXPQCMBMMMNOEV-IBGZPJMESA-N 2 1 338.495 3.944 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001167839563 1043057954 /nfs/dbraw/zinc/05/79/54/1043057954.db2.gz AJIHJHFKCADVGF-DLBZAZTESA-N 2 1 326.525 3.551 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404089 1043098711 /nfs/dbraw/zinc/09/87/11/1043098711.db2.gz CUDPNONUSMIQQQ-QZTJIDSGSA-N 2 1 330.516 3.717 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416651 1043128944 /nfs/dbraw/zinc/12/89/44/1043128944.db2.gz IBXODTMTAVCQBS-JKSUJKDBSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416651 1043128952 /nfs/dbraw/zinc/12/89/52/1043128952.db2.gz IBXODTMTAVCQBS-JKSUJKDBSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000432426377 1043176819 /nfs/dbraw/zinc/17/68/19/1043176819.db2.gz ZPOLMSSOJZMQMX-UONOGXRCSA-N 2 1 328.859 3.631 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)sc2C1 ZINC000344195924 1043396499 /nfs/dbraw/zinc/39/64/99/1043396499.db2.gz JZFSNLKKUOIWFT-ARFHVFGLSA-N 2 1 333.545 3.968 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)sc2C1 ZINC000344195924 1043396507 /nfs/dbraw/zinc/39/65/07/1043396507.db2.gz JZFSNLKKUOIWFT-ARFHVFGLSA-N 2 1 333.545 3.968 20 0 EHADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040965 1043864666 /nfs/dbraw/zinc/86/46/66/1043864666.db2.gz KMTCTHMKZFITBY-APHBMKBZSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040965 1043864682 /nfs/dbraw/zinc/86/46/82/1043864682.db2.gz KMTCTHMKZFITBY-APHBMKBZSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040965 1043864699 /nfs/dbraw/zinc/86/46/99/1043864699.db2.gz KMTCTHMKZFITBY-APHBMKBZSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040965 1043864717 /nfs/dbraw/zinc/86/47/17/1043864717.db2.gz KMTCTHMKZFITBY-APHBMKBZSA-N 2 1 328.378 3.863 20 0 EHADMP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000163299342 1043924171 /nfs/dbraw/zinc/92/41/71/1043924171.db2.gz VIVJVXCLVYIYSZ-WMZOPIPTSA-N 2 1 334.504 3.867 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344444446 1044003026 /nfs/dbraw/zinc/00/30/26/1044003026.db2.gz GVAYVQIAZQHYHG-RXVVDRJESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444446 1044003045 /nfs/dbraw/zinc/00/30/45/1044003045.db2.gz GVAYVQIAZQHYHG-RXVVDRJESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203867 1044144225 /nfs/dbraw/zinc/14/42/25/1044144225.db2.gz RDJXNLCGDRPRBN-MJGOQNOKSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203867 1044144231 /nfs/dbraw/zinc/14/42/31/1044144231.db2.gz RDJXNLCGDRPRBN-MJGOQNOKSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203867 1044144243 /nfs/dbraw/zinc/14/42/43/1044144243.db2.gz RDJXNLCGDRPRBN-MJGOQNOKSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203867 1044144253 /nfs/dbraw/zinc/14/42/53/1044144253.db2.gz RDJXNLCGDRPRBN-MJGOQNOKSA-N 2 1 328.500 3.708 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000279583325 1044253112 /nfs/dbraw/zinc/25/31/12/1044253112.db2.gz UTUDTJKRXOUMLA-UHFFFAOYSA-N 2 1 343.446 3.977 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000344691191 1044299706 /nfs/dbraw/zinc/29/97/06/1044299706.db2.gz XLTZIMARXUFHQC-WMZOPIPTSA-N 2 1 334.504 3.692 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000344691191 1044299717 /nfs/dbraw/zinc/29/97/17/1044299717.db2.gz XLTZIMARXUFHQC-WMZOPIPTSA-N 2 1 334.504 3.692 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CCO)CCCC1 ZINC000344724309 1044340904 /nfs/dbraw/zinc/34/09/04/1044340904.db2.gz FUUZRMVFSGXPQN-UHFFFAOYSA-N 2 1 332.532 3.677 20 0 EHADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573303 1044477229 /nfs/dbraw/zinc/47/72/29/1044477229.db2.gz MEPBSLVXIBAJDC-PZKPASOESA-N 2 1 335.495 3.631 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCCC(C)C ZINC000174516135 1126854569 /nfs/dbraw/zinc/85/45/69/1126854569.db2.gz JLFKROXJQUJMBN-SJLPKXTDSA-N 2 1 334.504 3.692 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCCC(C)C ZINC000174516135 1126854572 /nfs/dbraw/zinc/85/45/72/1126854572.db2.gz JLFKROXJQUJMBN-SJLPKXTDSA-N 2 1 334.504 3.692 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174773555 1126860061 /nfs/dbraw/zinc/86/00/61/1126860061.db2.gz HQMJXAYXNJRXGU-RISCZKNCSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174773555 1126860066 /nfs/dbraw/zinc/86/00/66/1126860066.db2.gz HQMJXAYXNJRXGU-RISCZKNCSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000174773555 1126860070 /nfs/dbraw/zinc/86/00/70/1126860070.db2.gz HQMJXAYXNJRXGU-RISCZKNCSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732785 1126877998 /nfs/dbraw/zinc/87/79/98/1126877998.db2.gz OZWBNRMTVYGIFB-GDBMZVCRSA-N 2 1 344.421 3.790 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732785 1126878000 /nfs/dbraw/zinc/87/80/00/1126878000.db2.gz OZWBNRMTVYGIFB-GDBMZVCRSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732785 1126878006 /nfs/dbraw/zinc/87/80/06/1126878006.db2.gz OZWBNRMTVYGIFB-GDBMZVCRSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732785 1126878010 /nfs/dbraw/zinc/87/80/10/1126878010.db2.gz OZWBNRMTVYGIFB-GDBMZVCRSA-N 2 1 344.421 3.790 20 0 EHADMP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000623137152 1126883357 /nfs/dbraw/zinc/88/33/57/1126883357.db2.gz XIMSCFDBXUZHIZ-LJQANCHMSA-N 2 1 330.516 3.948 20 0 EHADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000623137152 1126883360 /nfs/dbraw/zinc/88/33/60/1126883360.db2.gz XIMSCFDBXUZHIZ-LJQANCHMSA-N 2 1 330.516 3.948 20 0 EHADMP C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000671301325 1126889272 /nfs/dbraw/zinc/88/92/72/1126889272.db2.gz FSJPJNCABOGSQD-UTKZUKDTSA-N 2 1 348.494 3.606 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000623346868 1126924042 /nfs/dbraw/zinc/92/40/42/1126924042.db2.gz GAWJDMVGEVAZGS-KDOFPFPSSA-N 2 1 329.488 3.559 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1(C)C ZINC000623352126 1126928439 /nfs/dbraw/zinc/92/84/39/1126928439.db2.gz PSKSMZDNEKUXMW-INIZCTEOSA-N 2 1 344.421 3.728 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC1(C)C ZINC000623356977 1126928455 /nfs/dbraw/zinc/92/84/55/1126928455.db2.gz RPSVFTCWFXIYIT-IBGZPJMESA-N 2 1 342.483 3.959 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357805 1126929271 /nfs/dbraw/zinc/92/92/71/1126929271.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357805 1126929272 /nfs/dbraw/zinc/92/92/72/1126929272.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357805 1126929275 /nfs/dbraw/zinc/92/92/75/1126929275.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357805 1126929277 /nfs/dbraw/zinc/92/92/77/1126929277.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357805 1126929280 /nfs/dbraw/zinc/92/92/80/1126929280.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357805 1126929282 /nfs/dbraw/zinc/92/92/82/1126929282.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357805 1126929284 /nfs/dbraw/zinc/92/92/84/1126929284.db2.gz ATYREWNGGKKTKH-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000623396029 1126943600 /nfs/dbraw/zinc/94/36/00/1126943600.db2.gz GWUXVBMTHDABEK-CYBMUJFWSA-N 2 1 330.394 3.676 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000623396029 1126943602 /nfs/dbraw/zinc/94/36/02/1126943602.db2.gz GWUXVBMTHDABEK-CYBMUJFWSA-N 2 1 330.394 3.676 20 0 EHADMP C[N@H+]1CC[C@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398702 1126944276 /nfs/dbraw/zinc/94/42/76/1126944276.db2.gz MUABHXXHDHIGSJ-VQTJNVASSA-N 2 1 329.532 3.676 20 0 EHADMP C[N@H+]1CC[C@H](N[C@H]2COc3c2ccc(Cl)c3Cl)CC1(C)C ZINC000623432873 1126954910 /nfs/dbraw/zinc/95/49/10/1126954910.db2.gz OMLQQNYMKFKVOY-GWCFXTLKSA-N 2 1 329.271 3.889 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185710198 1126990086 /nfs/dbraw/zinc/99/00/86/1126990086.db2.gz GLGFEVUKTPCBLA-WAOWUJCRSA-N 2 1 330.516 3.579 20 0 EHADMP C[N@H+]1CCCC[C@H](CNCc2cc(Cl)ccc2OC(F)F)C1 ZINC000623655685 1127005783 /nfs/dbraw/zinc/00/57/83/1127005783.db2.gz BVYFQMPPXMNWIP-GFCCVEGCSA-N 2 1 332.822 3.763 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000623655685 1127005786 /nfs/dbraw/zinc/00/57/86/1127005786.db2.gz BVYFQMPPXMNWIP-GFCCVEGCSA-N 2 1 332.822 3.763 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000623655685 1127005790 /nfs/dbraw/zinc/00/57/90/1127005790.db2.gz BVYFQMPPXMNWIP-GFCCVEGCSA-N 2 1 332.822 3.763 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000623657021 1127006725 /nfs/dbraw/zinc/00/67/25/1127006725.db2.gz IABVNNHVCIFNES-GOSISDBHSA-N 2 1 343.540 3.750 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000623657021 1127006728 /nfs/dbraw/zinc/00/67/28/1127006728.db2.gz IABVNNHVCIFNES-GOSISDBHSA-N 2 1 343.540 3.750 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000623656758 1127007001 /nfs/dbraw/zinc/00/70/01/1127007001.db2.gz BEJBUSPMWHCPSC-GOSISDBHSA-N 2 1 349.950 3.626 20 0 EHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000623890307 1127211526 /nfs/dbraw/zinc/21/15/26/1127211526.db2.gz IPGPQGVQPKJEHO-RYUDHWBXSA-N 2 1 349.828 3.616 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121247 1127255776 /nfs/dbraw/zinc/25/57/76/1127255776.db2.gz RFMQMOUFTQTEHI-FUHWJXTLSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000181847542 1127299000 /nfs/dbraw/zinc/29/90/00/1127299000.db2.gz AZPMWGDJPIPUFQ-MDNKFWRPSA-N 2 1 330.516 3.690 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000765246034 1127587726 /nfs/dbraw/zinc/58/77/26/1127587726.db2.gz RIDQYKCCQCXFSS-WIYYLYMNSA-N 2 1 329.532 3.539 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000347552808 1128074037 /nfs/dbraw/zinc/07/40/37/1128074037.db2.gz CQFVGYZSEBSJMK-QGZVFWFLSA-N 2 1 329.463 3.971 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+]CCC[N@H+]3CCCC[C@H]3C)CCO2)cc1 ZINC001168591329 1128179669 /nfs/dbraw/zinc/17/96/69/1128179669.db2.gz USBNQUUBTQQJRS-QFUCXCTJSA-N 2 1 346.515 3.769 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000671759959 1128246775 /nfs/dbraw/zinc/24/67/75/1128246775.db2.gz CDUBKBOJZAHATD-SQWLQELKSA-N 2 1 343.471 3.837 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282287473 1128504056 /nfs/dbraw/zinc/50/40/56/1128504056.db2.gz RYJGLPIYQMBSIN-NRFANRHFSA-N 2 1 342.527 3.632 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168673940 1128781472 /nfs/dbraw/zinc/78/14/72/1128781472.db2.gz UHALHQMBVIGYEX-ICSRJNTNSA-N 2 1 334.504 3.579 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815817 1128785153 /nfs/dbraw/zinc/78/51/53/1128785153.db2.gz JSVROZZROPRQOC-UWJYYQICSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815817 1128785159 /nfs/dbraw/zinc/78/51/59/1128785159.db2.gz JSVROZZROPRQOC-UWJYYQICSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnn1C1CCC1 ZINC000921816896 1128784641 /nfs/dbraw/zinc/78/46/41/1128784641.db2.gz QZNTUKALHLICPJ-DYESRHJHSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816896 1128784644 /nfs/dbraw/zinc/78/46/44/1128784644.db2.gz QZNTUKALHLICPJ-DYESRHJHSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816896 1128784647 /nfs/dbraw/zinc/78/46/47/1128784647.db2.gz QZNTUKALHLICPJ-DYESRHJHSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816896 1128784651 /nfs/dbraw/zinc/78/46/51/1128784651.db2.gz QZNTUKALHLICPJ-DYESRHJHSA-N 2 1 338.499 3.608 20 0 EHADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168684826 1128822118 /nfs/dbraw/zinc/82/21/18/1128822118.db2.gz MASFBAWQGVCWNQ-HKUYNNGSSA-N 2 1 340.898 3.919 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001648832954 1120050892 /nfs/dbraw/zinc/05/08/92/1120050892.db2.gz UPYVEMUIWMMWQM-MRXNPFEDSA-N 2 1 340.515 3.619 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000080204135 1120114103 /nfs/dbraw/zinc/11/41/03/1120114103.db2.gz DNUFFAGUVZNITO-GOSISDBHSA-N 2 1 332.513 3.529 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000080204135 1120114105 /nfs/dbraw/zinc/11/41/05/1120114105.db2.gz DNUFFAGUVZNITO-GOSISDBHSA-N 2 1 332.513 3.529 20 0 EHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C(C)C)CC1 ZINC000186572609 1120466109 /nfs/dbraw/zinc/46/61/09/1120466109.db2.gz WACOFPIYIWZMJO-NRFANRHFSA-N 2 1 331.548 3.605 20 0 EHADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186572609 1120466112 /nfs/dbraw/zinc/46/61/12/1120466112.db2.gz WACOFPIYIWZMJO-NRFANRHFSA-N 2 1 331.548 3.605 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1ccnn1-c1ccccc1)C[NH+]1CCCCC1 ZINC000467390340 1120751186 /nfs/dbraw/zinc/75/11/86/1120751186.db2.gz OEKHBYJVQGCQTQ-ROUUACIJSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000195139291 1120767209 /nfs/dbraw/zinc/76/72/09/1120767209.db2.gz ZKPOAUKRRGAXCK-ICSRJNTNSA-N 2 1 337.511 3.925 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000494967814 1120921396 /nfs/dbraw/zinc/92/13/96/1120921396.db2.gz IYEUPBXLZXTKFL-UHFFFAOYSA-N 2 1 328.406 3.906 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC000495055213 1120940966 /nfs/dbraw/zinc/94/09/66/1120940966.db2.gz ZRADYVFNWIMRKI-HXUWFJFHSA-N 2 1 330.516 3.927 20 0 EHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000338779030 1128969538 /nfs/dbraw/zinc/96/95/38/1128969538.db2.gz MHLDDAJXCOWBAV-OAQYLSRUSA-N 2 1 342.527 3.702 20 0 EHADMP Cc1c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000915223722 1121260594 /nfs/dbraw/zinc/26/05/94/1121260594.db2.gz BRAIEXLPCNTPAE-ZDUSSCGKSA-N 2 1 346.544 3.971 20 0 EHADMP COc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC(F)F ZINC000237186960 1121476274 /nfs/dbraw/zinc/47/62/74/1121476274.db2.gz AFPVGRGOPBNVFN-UHFFFAOYSA-N 2 1 342.430 3.695 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000237619953 1121489386 /nfs/dbraw/zinc/48/93/86/1121489386.db2.gz HSBGSSAACDWFMU-OTWHNJEPSA-N 2 1 328.500 3.742 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000171764791 1121751305 /nfs/dbraw/zinc/75/13/05/1121751305.db2.gz WDZOORPDQPYOCT-GFCCVEGCSA-N 2 1 327.350 3.516 20 0 EHADMP N[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612384 1121826204 /nfs/dbraw/zinc/82/62/04/1121826204.db2.gz RYGDRQJVOILLMI-YADHBBJMSA-N 2 1 335.495 3.633 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000037210940 1122180660 /nfs/dbraw/zinc/18/06/60/1122180660.db2.gz MMXBWDMPXVWWRO-ZDUSSCGKSA-N 2 1 343.309 3.840 20 0 EHADMP CCc1nc2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)ccc2n1C1CC1 ZINC000338794421 1129074052 /nfs/dbraw/zinc/07/40/52/1129074052.db2.gz PJGRLHLAWXVJKN-UHFFFAOYSA-N 2 1 340.515 3.896 20 0 EHADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000556063906 1122799791 /nfs/dbraw/zinc/79/97/91/1122799791.db2.gz NCTAKSFUSKKUMY-JFHUYLGKSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000556241581 1122900272 /nfs/dbraw/zinc/90/02/72/1122900272.db2.gz NVISLCXTHAWMLT-QHAWAJNXSA-N 2 1 330.516 3.600 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000556241581 1122900276 /nfs/dbraw/zinc/90/02/76/1122900276.db2.gz NVISLCXTHAWMLT-QHAWAJNXSA-N 2 1 330.516 3.600 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000131196458 1123057908 /nfs/dbraw/zinc/05/79/08/1123057908.db2.gz IYEJNMJKTMWKFY-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498765888 1123061557 /nfs/dbraw/zinc/06/15/57/1123061557.db2.gz DPOYYJIBQFKSTJ-SVFBPWRDSA-N 2 1 340.515 3.552 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000131385261 1123095030 /nfs/dbraw/zinc/09/50/30/1123095030.db2.gz PHIYBCKYARTHOF-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000131385261 1123095034 /nfs/dbraw/zinc/09/50/34/1123095034.db2.gz PHIYBCKYARTHOF-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000556887369 1123168117 /nfs/dbraw/zinc/16/81/17/1123168117.db2.gz VYWMOZIFESLZMP-JYJNAYRXSA-N 2 1 342.405 3.590 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000556887370 1123168207 /nfs/dbraw/zinc/16/82/07/1123168207.db2.gz VYWMOZIFESLZMP-OWCLPIDISA-N 2 1 342.405 3.590 20 0 EHADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134878541 1123560113 /nfs/dbraw/zinc/56/01/13/1123560113.db2.gz BJZFTADXFGMMSL-CRAIPNDOSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134878541 1123560118 /nfs/dbraw/zinc/56/01/18/1123560118.db2.gz BJZFTADXFGMMSL-CRAIPNDOSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134878541 1123560120 /nfs/dbraw/zinc/56/01/20/1123560120.db2.gz BJZFTADXFGMMSL-CRAIPNDOSA-N 2 1 336.426 3.737 20 0 EHADMP CC[N@H+](Cc1ccc(Br)c(Cl)c1C)C[C@H]1CC[NH2+]C1 ZINC001236412756 1123813168 /nfs/dbraw/zinc/81/31/68/1123813168.db2.gz YADHIYQTLNZTKJ-LBPRGKRZSA-N 2 1 345.712 3.842 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379649441 1124084587 /nfs/dbraw/zinc/08/45/87/1124084587.db2.gz OURNMTLHTVKPBK-QMMLZNLJSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379649441 1124084590 /nfs/dbraw/zinc/08/45/90/1124084590.db2.gz OURNMTLHTVKPBK-QMMLZNLJSA-N 2 1 330.516 3.570 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)[C@@H](C)C1 ZINC000246398116 1124451379 /nfs/dbraw/zinc/45/13/79/1124451379.db2.gz LLUGZIYSMCZIMS-YJBOKZPZSA-N 2 1 343.540 3.981 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)[C@@H](C)C1 ZINC000246451100 1124470113 /nfs/dbraw/zinc/47/01/13/1124470113.db2.gz NRRZXAJPYUVNOB-BJLQDIEVSA-N 2 1 347.547 3.540 20 0 EHADMP COc1cccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246459266 1124473371 /nfs/dbraw/zinc/47/33/71/1124473371.db2.gz FHVOZMRNKSNQPT-RXVVDRJESA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246459266 1124473376 /nfs/dbraw/zinc/47/33/76/1124473376.db2.gz FHVOZMRNKSNQPT-RXVVDRJESA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246459266 1124473378 /nfs/dbraw/zinc/47/33/78/1124473378.db2.gz FHVOZMRNKSNQPT-RXVVDRJESA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246459266 1124473383 /nfs/dbraw/zinc/47/33/83/1124473383.db2.gz FHVOZMRNKSNQPT-RXVVDRJESA-N 2 1 328.500 3.577 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246485159 1124482301 /nfs/dbraw/zinc/48/23/01/1124482301.db2.gz RNNXIYPBLUFQHK-AOIWGVFYSA-N 2 1 346.515 3.749 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246485159 1124482306 /nfs/dbraw/zinc/48/23/06/1124482306.db2.gz RNNXIYPBLUFQHK-AOIWGVFYSA-N 2 1 346.515 3.749 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)C1 ZINC000247119888 1124588871 /nfs/dbraw/zinc/58/88/71/1124588871.db2.gz RBAJWXIKQYHURV-GDBMZVCRSA-N 2 1 344.528 3.896 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247177315 1124592047 /nfs/dbraw/zinc/59/20/47/1124592047.db2.gz UYTMPRGKKUMLMC-OLZOCXBDSA-N 2 1 330.394 3.810 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247177315 1124592053 /nfs/dbraw/zinc/59/20/53/1124592053.db2.gz UYTMPRGKKUMLMC-OLZOCXBDSA-N 2 1 330.394 3.810 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000248158032 1124642990 /nfs/dbraw/zinc/64/29/90/1124642990.db2.gz RRRRFLPCWRGUEI-YOUFYPILSA-N 2 1 343.559 3.968 20 0 EHADMP CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883116 1124712412 /nfs/dbraw/zinc/71/24/12/1124712412.db2.gz LGXRQHUJDHMFDE-YSTOQKLRSA-N 2 1 330.516 3.569 20 0 EHADMP CC[C@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594061 1124822363 /nfs/dbraw/zinc/82/23/63/1124822363.db2.gz DVGXGQABPVGVCG-HXUWFJFHSA-N 2 1 330.516 3.632 20 0 EHADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H](C)c1ccccc1 ZINC000089595092 1124824345 /nfs/dbraw/zinc/82/43/45/1124824345.db2.gz XKWZKGJPQACPQU-MOPGFXCFSA-N 2 1 330.516 3.803 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000069754362 1125037944 /nfs/dbraw/zinc/03/79/44/1125037944.db2.gz LDWPLLDJDDDHGK-UHFFFAOYSA-N 2 1 329.391 3.983 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1occc1Br ZINC000735321032 1131331095 /nfs/dbraw/zinc/33/10/95/1131331095.db2.gz VEPVPKNFPJCSKE-CYBMUJFWSA-N 2 1 329.282 3.786 20 0 EHADMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000765973133 1129223980 /nfs/dbraw/zinc/22/39/80/1129223980.db2.gz CXFCZNVVBIDMFA-QUCCMNQESA-N 2 1 330.516 3.906 20 0 EHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396392 1129356998 /nfs/dbraw/zinc/35/69/98/1129356998.db2.gz CDMWRSPUGYWEDW-WMZOPIPTSA-N 2 1 333.520 3.586 20 0 EHADMP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765977569 1129368686 /nfs/dbraw/zinc/36/86/86/1129368686.db2.gz QQKBYRRQQFJECT-LAUBAEHRSA-N 2 1 330.516 3.933 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000922231953 1129383186 /nfs/dbraw/zinc/38/31/86/1129383186.db2.gz RBCLKWCGUFAJIO-GIVPXCGWSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000922231953 1129383190 /nfs/dbraw/zinc/38/31/90/1129383190.db2.gz RBCLKWCGUFAJIO-GIVPXCGWSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543463364 1129499912 /nfs/dbraw/zinc/49/99/12/1129499912.db2.gz KVQBOYJRWLFVGQ-CVEARBPZSA-N 2 1 336.907 3.961 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CNCc2nc3ccc(F)cc3s2)C1 ZINC000428871796 1129557573 /nfs/dbraw/zinc/55/75/73/1129557573.db2.gz JZFKLOHAJIZZIM-CQSZACIVSA-N 2 1 335.492 3.893 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429012847 1129695714 /nfs/dbraw/zinc/69/57/14/1129695714.db2.gz VQZCBXJJDMODKW-NRFANRHFSA-N 2 1 340.515 3.543 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429012847 1129695716 /nfs/dbraw/zinc/69/57/16/1129695716.db2.gz VQZCBXJJDMODKW-NRFANRHFSA-N 2 1 340.515 3.543 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccnc(Cl)c2)[C@@H](C)C1 ZINC000766022617 1129817233 /nfs/dbraw/zinc/81/72/33/1129817233.db2.gz FUXPQVKONAIYSE-ZOBUZTSGSA-N 2 1 339.911 3.523 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccnc(Cl)c2)[C@@H](C)C1 ZINC000766022617 1129817238 /nfs/dbraw/zinc/81/72/38/1129817238.db2.gz FUXPQVKONAIYSE-ZOBUZTSGSA-N 2 1 339.911 3.523 20 0 EHADMP C[C@H]1CN(Cc2ncc(CN(C)C)s2)CC[C@@H]1c1ccccc1 ZINC000347860035 1129937675 /nfs/dbraw/zinc/93/76/75/1129937675.db2.gz RJQYEYYTAPFOGI-YJBOKZPZSA-N 2 1 329.513 3.830 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000658059259 1130100273 /nfs/dbraw/zinc/10/02/73/1130100273.db2.gz WQNPXZPXUFFZNY-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059259 1130100276 /nfs/dbraw/zinc/10/02/76/1130100276.db2.gz WQNPXZPXUFFZNY-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059259 1130100277 /nfs/dbraw/zinc/10/02/77/1130100277.db2.gz WQNPXZPXUFFZNY-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059259 1130100281 /nfs/dbraw/zinc/10/02/81/1130100281.db2.gz WQNPXZPXUFFZNY-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059259 1130100282 /nfs/dbraw/zinc/10/02/82/1130100282.db2.gz WQNPXZPXUFFZNY-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139205 1130388828 /nfs/dbraw/zinc/38/88/28/1130388828.db2.gz NKIDNLUDAMJJDY-UXPWSPDFSA-N 2 1 344.524 3.598 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139205 1130388834 /nfs/dbraw/zinc/38/88/34/1130388834.db2.gz NKIDNLUDAMJJDY-UXPWSPDFSA-N 2 1 344.524 3.598 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000675882013 1130501121 /nfs/dbraw/zinc/50/11/21/1130501121.db2.gz PEZOBJKMVPNCMV-XLIONFOSSA-N 2 1 330.516 3.586 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166207830 1130592608 /nfs/dbraw/zinc/59/26/08/1130592608.db2.gz ZQZYVOPHEBGGFR-ZWKOTPCHSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166207830 1130592613 /nfs/dbraw/zinc/59/26/13/1130592613.db2.gz ZQZYVOPHEBGGFR-ZWKOTPCHSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166207762 1130593459 /nfs/dbraw/zinc/59/34/59/1130593459.db2.gz ZQZYVOPHEBGGFR-QZTJIDSGSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166207762 1130593463 /nfs/dbraw/zinc/59/34/63/1130593463.db2.gz ZQZYVOPHEBGGFR-QZTJIDSGSA-N 2 1 341.430 3.729 20 0 EHADMP CC[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000732208120 1130896062 /nfs/dbraw/zinc/89/60/62/1130896062.db2.gz HLIKWJCWHAFIJP-VNTMZGSJSA-N 2 1 340.552 3.545 20 0 EHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](CC)CC(C)C)CC2)C1 ZINC001172394888 1131730990 /nfs/dbraw/zinc/73/09/90/1131730990.db2.gz AARBDECLIPPKHS-ZWKOTPCHSA-N 2 1 338.536 3.551 20 0 EHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](CC)CC(C)C)CC2)C1 ZINC001172394888 1131730997 /nfs/dbraw/zinc/73/09/97/1131730997.db2.gz AARBDECLIPPKHS-ZWKOTPCHSA-N 2 1 338.536 3.551 20 0 EHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565427 1131774616 /nfs/dbraw/zinc/77/46/16/1131774616.db2.gz YEGYTIHYYFTHFJ-FCEUIQTBSA-N 2 1 342.527 3.898 20 0 EHADMP CC1(C)CC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC(C)(C)O1 ZINC001172657368 1131803063 /nfs/dbraw/zinc/80/30/63/1131803063.db2.gz ZPSYQYXUKGCEPP-IYBDPMFKSA-N 2 1 348.556 3.848 20 0 EHADMP CC1(C)CC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC(C)(C)O1 ZINC001172657368 1131803076 /nfs/dbraw/zinc/80/30/76/1131803076.db2.gz ZPSYQYXUKGCEPP-IYBDPMFKSA-N 2 1 348.556 3.848 20 0 EHADMP CC1(C)CC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC(C)(C)O1 ZINC001172657368 1131803087 /nfs/dbraw/zinc/80/30/87/1131803087.db2.gz ZPSYQYXUKGCEPP-IYBDPMFKSA-N 2 1 348.556 3.848 20 0 EHADMP CC1(C)CC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC(C)(C)O1 ZINC001172657368 1131803095 /nfs/dbraw/zinc/80/30/95/1131803095.db2.gz ZPSYQYXUKGCEPP-IYBDPMFKSA-N 2 1 348.556 3.848 20 0 EHADMP Cc1ccc[nH+]c1N([C@@H]1Cc2ccc(Cl)cc2C1)C1CC[NH2+]CC1 ZINC001172723751 1131823892 /nfs/dbraw/zinc/82/38/92/1131823892.db2.gz WJASKZWWPFXEAV-LJQANCHMSA-N 2 1 341.886 3.769 20 0 EHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778489 1131844349 /nfs/dbraw/zinc/84/43/49/1131844349.db2.gz MPSWXUVABRWPDN-ZJPYXAASSA-N 2 1 338.536 3.726 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172941630 1131912523 /nfs/dbraw/zinc/91/25/23/1131912523.db2.gz GDJDCSRGYGGBMJ-NHCUHLMSSA-N 2 1 330.516 3.788 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172953085 1131929850 /nfs/dbraw/zinc/92/98/50/1131929850.db2.gz YLXXSFPJTBKRLN-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953085 1131929853 /nfs/dbraw/zinc/92/98/53/1131929853.db2.gz YLXXSFPJTBKRLN-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953085 1131929859 /nfs/dbraw/zinc/92/98/59/1131929859.db2.gz YLXXSFPJTBKRLN-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173041987 1131939114 /nfs/dbraw/zinc/93/91/14/1131939114.db2.gz RJPHUWKHDKJRQC-UHFFFAOYSA-N 2 1 343.515 3.688 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001173113537 1131971912 /nfs/dbraw/zinc/97/19/12/1131971912.db2.gz STZQAGXYYKUGTE-WWDZGPRUSA-N 2 1 338.536 3.693 20 0 EHADMP CCSC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294166 1132030738 /nfs/dbraw/zinc/03/07/38/1132030738.db2.gz FDBOZMBONHLNJT-SZMVWBNQSA-N 2 1 336.545 3.909 20 0 EHADMP CCSC[C@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173296975 1132031521 /nfs/dbraw/zinc/03/15/21/1132031521.db2.gz ZFMJEXBCKOYPES-SZMVWBNQSA-N 2 1 336.545 3.909 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702316 1132129391 /nfs/dbraw/zinc/12/93/91/1132129391.db2.gz KYFDHTWSBYHLGD-DYESRHJHSA-N 2 1 338.495 3.650 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173738445 1132139255 /nfs/dbraw/zinc/13/92/55/1132139255.db2.gz SCIJKXOBPQYKAO-QGZVFWFLSA-N 2 1 346.515 3.601 20 0 EHADMP c1ccc(C[N@H+]2CCC=C(Nc3c[nH+]ccc3N3CCCC3)C2)cc1 ZINC001174395349 1132331362 /nfs/dbraw/zinc/33/13/62/1132331362.db2.gz WVNACZYQOWMMOF-UHFFFAOYSA-N 2 1 334.467 3.884 20 0 EHADMP C[C@H]1CC[NH+](CCCCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171521 1132468016 /nfs/dbraw/zinc/46/80/16/1132468016.db2.gz NMWDLSACSKVNMF-IRXDYDNUSA-N 2 1 330.607 3.812 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000766531961 1132598770 /nfs/dbraw/zinc/59/87/70/1132598770.db2.gz ROLQIVLEVMTWMJ-IIBYNOLFSA-N 2 1 341.499 3.724 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766531961 1132598777 /nfs/dbraw/zinc/59/87/77/1132598777.db2.gz ROLQIVLEVMTWMJ-IIBYNOLFSA-N 2 1 341.499 3.724 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118321 1132663599 /nfs/dbraw/zinc/66/35/99/1132663599.db2.gz HJAJZMIYDQENRI-BURNTYAHSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118322 1132664120 /nfs/dbraw/zinc/66/41/20/1132664120.db2.gz HJAJZMIYDQENRI-MXEMCNAFSA-N 2 1 346.490 3.898 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115607 1132672905 /nfs/dbraw/zinc/67/29/05/1132672905.db2.gz LKRVZSLQUUNIFB-YXOJAJARSA-N 2 1 333.564 3.764 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115607 1132672909 /nfs/dbraw/zinc/67/29/09/1132672909.db2.gz LKRVZSLQUUNIFB-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115607 1132672914 /nfs/dbraw/zinc/67/29/14/1132672914.db2.gz LKRVZSLQUUNIFB-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115607 1132672917 /nfs/dbraw/zinc/67/29/17/1132672917.db2.gz LKRVZSLQUUNIFB-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115607 1132672920 /nfs/dbraw/zinc/67/29/20/1132672920.db2.gz LKRVZSLQUUNIFB-YXOJAJARSA-N 3 1 333.564 3.764 20 0 EHADMP CSc1c[nH]c2nc[nH+]c(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)c12 ZINC001169148764 1132677356 /nfs/dbraw/zinc/67/73/56/1132677356.db2.gz YCVBQRZMMJQLRD-PIGZYNQJSA-N 2 1 333.505 3.635 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Cc3ccc(F)cc3F)CC1)C2 ZINC001169152723 1132678941 /nfs/dbraw/zinc/67/89/41/1132678941.db2.gz DQUSOCKRHUYKSQ-REPLKXPHSA-N 2 1 334.454 3.845 20 0 EHADMP CCC[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891248 1133007607 /nfs/dbraw/zinc/00/76/07/1133007607.db2.gz CIABDTMUOXFJMM-YADHBBJMSA-N 2 1 340.511 3.784 20 0 EHADMP CCC[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891248 1133007613 /nfs/dbraw/zinc/00/76/13/1133007613.db2.gz CIABDTMUOXFJMM-YADHBBJMSA-N 2 1 340.511 3.784 20 0 EHADMP Cc1ccccc1CN1CCC([NH2+]Cc2cnn(C(C)C)c2)CC1 ZINC001177315112 1133053179 /nfs/dbraw/zinc/05/31/79/1133053179.db2.gz KAINNNDEEMGAPC-UHFFFAOYSA-N 2 1 326.488 3.527 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC001177319037 1133054120 /nfs/dbraw/zinc/05/41/20/1133054120.db2.gz RGEPAJFSTJMZGQ-CQSZACIVSA-N 2 1 334.410 3.873 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001177459512 1133065212 /nfs/dbraw/zinc/06/52/12/1133065212.db2.gz RGKZEXMGMSWJDT-CADBVGFASA-N 2 1 332.532 3.972 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2occc2Br)CC1 ZINC000768302576 1133122645 /nfs/dbraw/zinc/12/26/45/1133122645.db2.gz IUAFRZRDBMXKOH-UHFFFAOYSA-N 2 1 343.309 3.986 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2occc2Br)CC1 ZINC000768302576 1133122648 /nfs/dbraw/zinc/12/26/48/1133122648.db2.gz IUAFRZRDBMXKOH-UHFFFAOYSA-N 2 1 343.309 3.986 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC001179015959 1133221864 /nfs/dbraw/zinc/22/18/64/1133221864.db2.gz SCOJCMLMSSTKCU-ZLNRFVROSA-N 2 1 334.507 3.869 20 0 EHADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001179259665 1133239872 /nfs/dbraw/zinc/23/98/72/1133239872.db2.gz WRCJNQBYACMAQT-MRXNPFEDSA-N 2 1 342.405 3.797 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000769677856 1133328669 /nfs/dbraw/zinc/32/86/69/1133328669.db2.gz GFNAOUXPVCVIRP-CVEARBPZSA-N 2 1 341.540 3.532 20 0 EHADMP CC1(C)CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001180310241 1133355034 /nfs/dbraw/zinc/35/50/34/1133355034.db2.gz BGFNNEVDOJFBCY-WOJBJXKFSA-N 2 1 330.516 3.702 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769969037 1133366992 /nfs/dbraw/zinc/36/69/92/1133366992.db2.gz OMGMSCXEBMBMFR-TZIWHRDSSA-N 2 1 342.527 3.914 20 0 EHADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001205254981 1133766889 /nfs/dbraw/zinc/76/68/89/1133766889.db2.gz DAQNRMAMUJBPJC-INIZCTEOSA-N 2 1 325.294 3.585 20 0 EHADMP C[N@H+]1C[C@@H]2CN(Cc3ccc(-c4cccc(F)c4F)o3)C[C@]2(C)C1 ZINC001184064769 1133889202 /nfs/dbraw/zinc/88/92/02/1133889202.db2.gz FQMYFWXHHATIFP-YJYMSZOUSA-N 2 1 332.394 3.608 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC001184388039 1133933874 /nfs/dbraw/zinc/93/38/74/1133933874.db2.gz PATMVWGUBBCDRL-JWZBEHFJSA-N 2 1 326.406 3.739 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205319049 1134012124 /nfs/dbraw/zinc/01/21/24/1134012124.db2.gz XZOJBHMVDBQZMJ-UKRRQHHQSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205319049 1134012129 /nfs/dbraw/zinc/01/21/29/1134012129.db2.gz XZOJBHMVDBQZMJ-UKRRQHHQSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)CCC[C@@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001170083771 1134104902 /nfs/dbraw/zinc/10/49/02/1134104902.db2.gz ZOJCZEVDCXJSPG-LJQANCHMSA-N 2 1 346.563 3.942 20 0 EHADMP Cc1cc(Br)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000774913216 1134118967 /nfs/dbraw/zinc/11/89/67/1134118967.db2.gz RFUGWEPDNXVJQI-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788487061 1134131380 /nfs/dbraw/zinc/13/13/80/1134131380.db2.gz BSAGVHCWELTXEP-IBGZPJMESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206037032 1134302461 /nfs/dbraw/zinc/30/24/61/1134302461.db2.gz SKNFDIMONAIDSD-ZIAGYGMSSA-N 2 1 325.294 3.564 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000775385080 1134695978 /nfs/dbraw/zinc/69/59/78/1134695978.db2.gz IWPPFZGIIIVXKV-KURKYZTESA-N 2 1 336.570 3.608 20 0 EHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC001170217994 1134709330 /nfs/dbraw/zinc/70/93/30/1134709330.db2.gz DDUCZZDMZAWLQL-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224524 1134722179 /nfs/dbraw/zinc/72/21/79/1134722179.db2.gz UJLODCGVAHIPAQ-LEWJYISDSA-N 2 1 330.516 3.931 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226926 1134723086 /nfs/dbraw/zinc/72/30/86/1134723086.db2.gz LXRPFSGBTQOXCP-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226926 1134723091 /nfs/dbraw/zinc/72/30/91/1134723091.db2.gz LXRPFSGBTQOXCP-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226926 1134723098 /nfs/dbraw/zinc/72/30/98/1134723098.db2.gz LXRPFSGBTQOXCP-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642285 1134730684 /nfs/dbraw/zinc/73/06/84/1134730684.db2.gz ANCMWXLOVRJLGB-FGZHOGPDSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642285 1134730688 /nfs/dbraw/zinc/73/06/88/1134730688.db2.gz ANCMWXLOVRJLGB-FGZHOGPDSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642285 1134730691 /nfs/dbraw/zinc/73/06/91/1134730691.db2.gz ANCMWXLOVRJLGB-FGZHOGPDSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642285 1134730695 /nfs/dbraw/zinc/73/06/95/1134730695.db2.gz ANCMWXLOVRJLGB-FGZHOGPDSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642285 1134730697 /nfs/dbraw/zinc/73/06/97/1134730697.db2.gz ANCMWXLOVRJLGB-FGZHOGPDSA-N 2 1 344.543 3.914 20 0 EHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642287 1134730839 /nfs/dbraw/zinc/73/08/39/1134730839.db2.gz ANCMWXLOVRJLGB-YADHBBJMSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642287 1134730845 /nfs/dbraw/zinc/73/08/45/1134730845.db2.gz ANCMWXLOVRJLGB-YADHBBJMSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642287 1134730852 /nfs/dbraw/zinc/73/08/52/1134730852.db2.gz ANCMWXLOVRJLGB-YADHBBJMSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642287 1134730855 /nfs/dbraw/zinc/73/08/55/1134730855.db2.gz ANCMWXLOVRJLGB-YADHBBJMSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001190642287 1134730861 /nfs/dbraw/zinc/73/08/61/1134730861.db2.gz ANCMWXLOVRJLGB-YADHBBJMSA-N 2 1 344.543 3.914 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC34CCC(CC3)C4)CC2)CC1 ZINC001191390194 1134853790 /nfs/dbraw/zinc/85/37/90/1134853790.db2.gz ISEXVQNELDOFLO-UHFFFAOYSA-N 3 1 347.591 3.695 20 0 EHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC12CCC(CC1)C2 ZINC001191390194 1134853794 /nfs/dbraw/zinc/85/37/94/1134853794.db2.gz ISEXVQNELDOFLO-UHFFFAOYSA-N 3 1 347.591 3.695 20 0 EHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC12CCC(CC1)C2 ZINC001191390194 1134853798 /nfs/dbraw/zinc/85/37/98/1134853798.db2.gz ISEXVQNELDOFLO-UHFFFAOYSA-N 3 1 347.591 3.695 20 0 EHADMP CCCC[N@@H+](CCOC[C@H]1CCCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545957 1135578992 /nfs/dbraw/zinc/57/89/92/1135578992.db2.gz VYHJFWRDFMXZAJ-GOSISDBHSA-N 2 1 340.552 3.593 20 0 EHADMP CCCC[N@@H+](CCc1cnn(CC)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545877 1135579491 /nfs/dbraw/zinc/57/94/91/1135579491.db2.gz SUYHMLJLYNLGMF-UHFFFAOYSA-N 2 1 334.552 3.857 20 0 EHADMP CCCC[N@@H+](C[C@@H]1COC(C)(C)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545373 1135579827 /nfs/dbraw/zinc/57/98/27/1135579827.db2.gz NNWOJRXXIPWWGQ-MRXNPFEDSA-N 2 1 326.525 3.549 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cn2cc(C(C)C)n(C)c2=S)CC1 ZINC000747457862 1135616413 /nfs/dbraw/zinc/61/64/13/1135616413.db2.gz VHHGQHWKZXFHQX-UHFFFAOYSA-N 2 1 338.565 3.691 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000105443715 1135947939 /nfs/dbraw/zinc/94/79/39/1135947939.db2.gz SDNNTFGFNMLRHB-GFCCVEGCSA-N 2 1 337.414 3.836 20 0 EHADMP CCC(CC)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201526327 1136038358 /nfs/dbraw/zinc/03/83/58/1136038358.db2.gz XGYKZXRPRYUBPN-FQEVSTJZSA-N 2 1 345.531 3.573 20 0 EHADMP CC(C)CC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201620100 1136047848 /nfs/dbraw/zinc/04/78/48/1136047848.db2.gz GQJUAFWWNQFNAM-GOSISDBHSA-N 2 1 337.458 3.661 20 0 EHADMP CC(C)CC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201620100 1136047850 /nfs/dbraw/zinc/04/78/50/1136047850.db2.gz GQJUAFWWNQFNAM-GOSISDBHSA-N 2 1 337.458 3.661 20 0 EHADMP CC(C)CC[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201620100 1136047852 /nfs/dbraw/zinc/04/78/52/1136047852.db2.gz GQJUAFWWNQFNAM-GOSISDBHSA-N 2 1 337.458 3.661 20 0 EHADMP CC(C)CC[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201620100 1136047854 /nfs/dbraw/zinc/04/78/54/1136047854.db2.gz GQJUAFWWNQFNAM-GOSISDBHSA-N 2 1 337.458 3.661 20 0 EHADMP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947024 1136077230 /nfs/dbraw/zinc/07/72/30/1136077230.db2.gz PVIUPBWTWBFJBQ-VYYLWUJASA-N 2 1 328.500 3.951 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001201954257 1136077778 /nfs/dbraw/zinc/07/77/78/1136077778.db2.gz JRKHIRHBCKKZOJ-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000850029591 1136200807 /nfs/dbraw/zinc/20/08/07/1136200807.db2.gz CRKSXLANKKMAAW-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000850031749 1136201092 /nfs/dbraw/zinc/20/10/92/1136201092.db2.gz VOCDXUARGKHQOR-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1SCCS1 ZINC000850407170 1136251789 /nfs/dbraw/zinc/25/17/89/1136251789.db2.gz QEAZFKLSWHTSSP-UHFFFAOYSA-N 2 1 338.586 3.930 20 0 EHADMP C[C@@H]([NH2+]CCC1SCCS1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850569832 1136288362 /nfs/dbraw/zinc/28/83/62/1136288362.db2.gz CIUXPQPIXNYAIY-NVXWUHKLSA-N 2 1 336.570 3.683 20 0 EHADMP CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000813790164 1136362711 /nfs/dbraw/zinc/36/27/11/1136362711.db2.gz KJMRQPPLGNZITB-SEJPIABJSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000813881857 1136372361 /nfs/dbraw/zinc/37/23/61/1136372361.db2.gz WLARBZXTQVEBBY-PAMCTJKJSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881857 1136372365 /nfs/dbraw/zinc/37/23/65/1136372365.db2.gz WLARBZXTQVEBBY-PAMCTJKJSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881857 1136372369 /nfs/dbraw/zinc/37/23/69/1136372369.db2.gz WLARBZXTQVEBBY-PAMCTJKJSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000813880958 1136372582 /nfs/dbraw/zinc/37/25/82/1136372582.db2.gz JYPPGLHRNJWRNB-AHSZXGJYSA-N 2 1 328.500 3.587 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2snnc2C)ccc1OC ZINC000813883127 1136372910 /nfs/dbraw/zinc/37/29/10/1136372910.db2.gz FAYCORDSOMRPJC-ZDUSSCGKSA-N 2 1 348.516 3.548 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761433 1136484465 /nfs/dbraw/zinc/48/44/65/1136484465.db2.gz VWBPDSKLQOQLCQ-RHSMWYFYSA-N 2 1 344.421 3.809 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761433 1136484467 /nfs/dbraw/zinc/48/44/67/1136484467.db2.gz VWBPDSKLQOQLCQ-RHSMWYFYSA-N 2 1 344.421 3.809 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000853239243 1136520915 /nfs/dbraw/zinc/52/09/15/1136520915.db2.gz CUGRLCKOHZRLSN-SJLPKXTDSA-N 2 1 328.500 3.784 20 0 EHADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000853247740 1136522140 /nfs/dbraw/zinc/52/21/40/1136522140.db2.gz ZMGNNCRNPQWHPB-LLVKDONJSA-N 2 1 342.306 3.522 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146550 1136562444 /nfs/dbraw/zinc/56/24/44/1136562444.db2.gz RMHSZEMYANZQSO-QGZVFWFLSA-N 2 1 326.456 3.919 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146550 1136562446 /nfs/dbraw/zinc/56/24/46/1136562446.db2.gz RMHSZEMYANZQSO-QGZVFWFLSA-N 2 1 326.456 3.919 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146550 1136562448 /nfs/dbraw/zinc/56/24/48/1136562448.db2.gz RMHSZEMYANZQSO-QGZVFWFLSA-N 2 1 326.456 3.919 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146550 1136562449 /nfs/dbraw/zinc/56/24/49/1136562449.db2.gz RMHSZEMYANZQSO-QGZVFWFLSA-N 2 1 326.456 3.919 20 0 EHADMP CCCCCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599840 1136798014 /nfs/dbraw/zinc/79/80/14/1136798014.db2.gz OFFJBQSGBHXKGA-HXUWFJFHSA-N 2 1 333.520 3.955 20 0 EHADMP CCCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599840 1136798016 /nfs/dbraw/zinc/79/80/16/1136798016.db2.gz OFFJBQSGBHXKGA-HXUWFJFHSA-N 2 1 333.520 3.955 20 0 EHADMP CCCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599840 1136798018 /nfs/dbraw/zinc/79/80/18/1136798018.db2.gz OFFJBQSGBHXKGA-HXUWFJFHSA-N 2 1 333.520 3.955 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000817897656 1136843938 /nfs/dbraw/zinc/84/39/38/1136843938.db2.gz UZCXACQSRJFFAQ-BHDDXSALSA-N 3 1 347.591 3.932 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817894624 1136844261 /nfs/dbraw/zinc/84/42/61/1136844261.db2.gz NYRUIJZVJOGEDG-AAEUAGOBSA-N 2 1 326.469 3.870 20 0 EHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817958451 1136851448 /nfs/dbraw/zinc/85/14/48/1136851448.db2.gz JTOXUTBGJBTJPW-KXBFYZLASA-N 2 1 345.487 3.592 20 0 EHADMP Fc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000858169007 1136945948 /nfs/dbraw/zinc/94/59/48/1136945948.db2.gz UVNDHVLGFPLTOJ-IHWFROFDSA-N 2 1 339.458 3.896 20 0 EHADMP Fc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000858169007 1136945951 /nfs/dbraw/zinc/94/59/51/1136945951.db2.gz UVNDHVLGFPLTOJ-IHWFROFDSA-N 2 1 339.458 3.896 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858169249 1136946006 /nfs/dbraw/zinc/94/60/06/1136946006.db2.gz NYWJMXYDKLGIAP-NVXWUHKLSA-N 2 1 345.487 3.557 20 0 EHADMP c1ccc(CCCCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000858460509 1136969797 /nfs/dbraw/zinc/96/97/97/1136969797.db2.gz AWRKLIPTHDERBP-OAQYLSRUSA-N 2 1 330.516 3.632 20 0 EHADMP CSCc1cc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820812344 1137005338 /nfs/dbraw/zinc/00/53/38/1137005338.db2.gz ILOXCWNJMSYITE-JLYLLQBASA-N 2 1 334.504 3.936 20 0 EHADMP Fc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000859219373 1137008182 /nfs/dbraw/zinc/00/81/82/1137008182.db2.gz WHWXMUZTXAINBD-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc3cc(F)ccc3o2)cc1 ZINC000859215198 1137008362 /nfs/dbraw/zinc/00/83/62/1137008362.db2.gz YDPJDDNWHOVLBZ-UHFFFAOYSA-N 2 1 327.403 3.661 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc3cc(F)ccc3o2)cc1 ZINC000859215198 1137008364 /nfs/dbraw/zinc/00/83/64/1137008364.db2.gz YDPJDDNWHOVLBZ-UHFFFAOYSA-N 2 1 327.403 3.661 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000859994811 1137040022 /nfs/dbraw/zinc/04/00/22/1137040022.db2.gz DPMGSWDCFTWNHN-FQEVSTJZSA-N 2 1 348.437 3.582 20 0 EHADMP c1c2cccnc2oc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000823747773 1137112542 /nfs/dbraw/zinc/11/25/42/1137112542.db2.gz KRLIZWXBEWCCKG-UHFFFAOYSA-N 2 1 327.472 3.962 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnc(F)c2C)CC1)CC1CC1 ZINC000862261908 1137136169 /nfs/dbraw/zinc/13/61/69/1137136169.db2.gz NWOQNFHYKCDVBB-UHFFFAOYSA-N 2 1 333.495 3.863 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074542 1137167380 /nfs/dbraw/zinc/16/73/80/1137167380.db2.gz TZDXDFQJDXWXCD-JDSLSITLSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074542 1137167381 /nfs/dbraw/zinc/16/73/81/1137167381.db2.gz TZDXDFQJDXWXCD-JDSLSITLSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149708 1137249316 /nfs/dbraw/zinc/24/93/16/1137249316.db2.gz LZYNMXBDBAACAP-HYSWKAIVSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149708 1137249317 /nfs/dbraw/zinc/24/93/17/1137249317.db2.gz LZYNMXBDBAACAP-HYSWKAIVSA-N 2 1 327.299 3.781 20 0 EHADMP Cc1c(C[NH2+]CCC[N@H+](C)CC(C)C)sc2nc(C)nc(C)c12 ZINC000845997191 1137327125 /nfs/dbraw/zinc/32/71/25/1137327125.db2.gz WQCFVDWWKUJBHE-UHFFFAOYSA-N 2 1 334.533 3.684 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000866251679 1137339538 /nfs/dbraw/zinc/33/95/38/1137339538.db2.gz YWQORAFROBXKCG-PKOBYXMFSA-N 2 1 343.540 3.966 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000866251679 1137339539 /nfs/dbraw/zinc/33/95/39/1137339539.db2.gz YWQORAFROBXKCG-PKOBYXMFSA-N 2 1 343.540 3.966 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(SC(F)(F)F)c1 ZINC000866342595 1137347589 /nfs/dbraw/zinc/34/75/89/1137347589.db2.gz TVCHETFOIVRYKU-NSHDSACASA-N 2 1 329.391 3.925 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000846813529 1137369092 /nfs/dbraw/zinc/36/90/92/1137369092.db2.gz HJPTXWCQVGCGLP-TZIWHRDSSA-N 2 1 341.499 3.721 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000846813529 1137369093 /nfs/dbraw/zinc/36/90/93/1137369093.db2.gz HJPTXWCQVGCGLP-TZIWHRDSSA-N 2 1 341.499 3.721 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC001171353032 1137456401 /nfs/dbraw/zinc/45/64/01/1137456401.db2.gz CIGJANGCFXUUDY-MSOLQXFVSA-N 2 1 334.454 3.676 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC001171353032 1137456403 /nfs/dbraw/zinc/45/64/03/1137456403.db2.gz CIGJANGCFXUUDY-MSOLQXFVSA-N 2 1 334.454 3.676 20 0 EHADMP [NH3+]C1(CC2CCC2)CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171353866 1137456847 /nfs/dbraw/zinc/45/68/47/1137456847.db2.gz ISNOARBERGSGED-KRWDZBQOSA-N 2 1 334.454 3.806 20 0 EHADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390802836 1137457363 /nfs/dbraw/zinc/45/73/63/1137457363.db2.gz RYCFFSZMOLFEMZ-HIFRSBDPSA-N 2 1 332.435 3.740 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000716619612 1137487559 /nfs/dbraw/zinc/48/75/59/1137487559.db2.gz GDXPABBADIDLFZ-FHBGEGHHSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657156 1137487893 /nfs/dbraw/zinc/48/78/93/1137487893.db2.gz SXOKAGNCPLERKT-OWLYRPNTSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657156 1137487894 /nfs/dbraw/zinc/48/78/94/1137487894.db2.gz SXOKAGNCPLERKT-OWLYRPNTSA-N 2 1 327.497 3.847 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716680091 1137488400 /nfs/dbraw/zinc/48/84/00/1137488400.db2.gz FRJKPILWMMPEFL-YRPNKDGESA-N 2 1 328.500 3.587 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171628889 1137499384 /nfs/dbraw/zinc/49/93/84/1137499384.db2.gz LNQNKMYXIMSQLJ-OAHLLOKOSA-N 2 1 340.508 3.664 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171628889 1137499385 /nfs/dbraw/zinc/49/93/85/1137499385.db2.gz LNQNKMYXIMSQLJ-OAHLLOKOSA-N 2 1 340.508 3.664 20 0 EHADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629188 1137499821 /nfs/dbraw/zinc/49/98/21/1137499821.db2.gz PAMQRMQSOQNSPA-LJQANCHMSA-N 2 1 343.559 3.844 20 0 EHADMP Cc1ccc(CC[C@H](C)[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001171679251 1137503879 /nfs/dbraw/zinc/50/38/79/1137503879.db2.gz JWTZQRPEBSZJNA-IBGZPJMESA-N 2 1 344.543 3.891 20 0 EHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccccc3F)CC2)CC1(C)C ZINC001171636870 1137504224 /nfs/dbraw/zinc/50/42/24/1137504224.db2.gz ISURGQVEWCPDNI-UHFFFAOYSA-N 2 1 333.495 3.599 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641893 1137504627 /nfs/dbraw/zinc/50/46/27/1137504627.db2.gz UYKPSABHGFPWMS-SFHVURJKSA-N 2 1 334.479 3.930 20 0 EHADMP COc1ccc2c(c1)c(C[NH3+])cn2[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733471 1137505120 /nfs/dbraw/zinc/50/51/20/1137505120.db2.gz TWHPBWNDHNFRCU-APWZRJJASA-N 2 1 349.478 3.944 20 0 EHADMP C[C@H]1C[C@H](n2c(-c3ccccc3)cnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171739359 1137510993 /nfs/dbraw/zinc/51/09/93/1137510993.db2.gz CBOKRAGBVCXQFQ-PXNSSMCTSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742450 1137511600 /nfs/dbraw/zinc/51/16/00/1137511600.db2.gz XWMPETPMLZDGNR-AGOPTVSRSA-N 2 1 341.543 3.631 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171963730 1137519849 /nfs/dbraw/zinc/51/98/49/1137519849.db2.gz FCAVAZDRNVEYOQ-OAQYLSRUSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171966670 1137520792 /nfs/dbraw/zinc/52/07/92/1137520792.db2.gz WAVAXSPOOZYDML-SFTDATJTSA-N 2 1 349.522 3.820 20 0 EHADMP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976746 1137525293 /nfs/dbraw/zinc/52/52/93/1137525293.db2.gz NFTJMUSECUBWQG-AQNXPRMDSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976360 1137525542 /nfs/dbraw/zinc/52/55/42/1137525542.db2.gz KJVFVAIHMMQZPC-QFUCXCTJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976360 1137525543 /nfs/dbraw/zinc/52/55/43/1137525543.db2.gz KJVFVAIHMMQZPC-QFUCXCTJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976360 1137525545 /nfs/dbraw/zinc/52/55/45/1137525545.db2.gz KJVFVAIHMMQZPC-QFUCXCTJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976360 1137525548 /nfs/dbraw/zinc/52/55/48/1137525548.db2.gz KJVFVAIHMMQZPC-QFUCXCTJSA-N 2 1 330.516 3.522 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977514 1137526085 /nfs/dbraw/zinc/52/60/85/1137526085.db2.gz BNHNJOJZJRMBRE-KBWCOIMZSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977514 1137526087 /nfs/dbraw/zinc/52/60/87/1137526087.db2.gz BNHNJOJZJRMBRE-KBWCOIMZSA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979969 1137526480 /nfs/dbraw/zinc/52/64/80/1137526480.db2.gz HCIFDEGJGKYRJE-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979969 1137526481 /nfs/dbraw/zinc/52/64/81/1137526481.db2.gz HCIFDEGJGKYRJE-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979969 1137526482 /nfs/dbraw/zinc/52/64/82/1137526482.db2.gz HCIFDEGJGKYRJE-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@H+]1CCC[C@](C)(N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980907 1137526670 /nfs/dbraw/zinc/52/66/70/1137526670.db2.gz YEPGNTPDXLHMDZ-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980907 1137526671 /nfs/dbraw/zinc/52/66/71/1137526671.db2.gz YEPGNTPDXLHMDZ-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980907 1137526673 /nfs/dbraw/zinc/52/66/73/1137526673.db2.gz YEPGNTPDXLHMDZ-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980907 1137526674 /nfs/dbraw/zinc/52/66/74/1137526674.db2.gz YEPGNTPDXLHMDZ-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980907 1137526676 /nfs/dbraw/zinc/52/66/76/1137526676.db2.gz YEPGNTPDXLHMDZ-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987882 1137527744 /nfs/dbraw/zinc/52/77/44/1137527744.db2.gz LJVIOLJLCVFQPS-LJQANCHMSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987882 1137527746 /nfs/dbraw/zinc/52/77/46/1137527746.db2.gz LJVIOLJLCVFQPS-LJQANCHMSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001171987882 1137527748 /nfs/dbraw/zinc/52/77/48/1137527748.db2.gz LJVIOLJLCVFQPS-LJQANCHMSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001171987882 1137527750 /nfs/dbraw/zinc/52/77/50/1137527750.db2.gz LJVIOLJLCVFQPS-LJQANCHMSA-N 2 1 330.516 3.931 20 0 EHADMP CCCN(CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061023 1137528800 /nfs/dbraw/zinc/52/88/00/1137528800.db2.gz FBPYHFMLBXJBOS-WKCHPHFGSA-N 2 1 329.532 3.633 20 0 EHADMP [NH3+]Cc1ccccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076327 1137530749 /nfs/dbraw/zinc/53/07/49/1137530749.db2.gz HWSOZWUEBBSPQW-NUNAXRQHSA-N 3 1 349.522 3.821 20 0 EHADMP [NH3+]Cc1ccccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076327 1137530750 /nfs/dbraw/zinc/53/07/50/1137530750.db2.gz HWSOZWUEBBSPQW-NUNAXRQHSA-N 2 1 349.522 3.821 20 0 EHADMP [NH3+]Cc1ccccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076327 1137530751 /nfs/dbraw/zinc/53/07/51/1137530751.db2.gz HWSOZWUEBBSPQW-NUNAXRQHSA-N 2 1 349.522 3.821 20 0 EHADMP [NH3+]Cc1ccccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172076327 1137530752 /nfs/dbraw/zinc/53/07/52/1137530752.db2.gz HWSOZWUEBBSPQW-NUNAXRQHSA-N 2 1 349.522 3.821 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001172065414 1137533415 /nfs/dbraw/zinc/53/34/15/1137533415.db2.gz MNFBPYNNUXPEOS-HAGHYFMRSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068813 1137534542 /nfs/dbraw/zinc/53/45/42/1137534542.db2.gz LCCJKCABWNWATI-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068813 1137534544 /nfs/dbraw/zinc/53/45/44/1137534544.db2.gz LCCJKCABWNWATI-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068813 1137534546 /nfs/dbraw/zinc/53/45/46/1137534546.db2.gz LCCJKCABWNWATI-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068813 1137534548 /nfs/dbraw/zinc/53/45/48/1137534548.db2.gz LCCJKCABWNWATI-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@]1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H](O)CC1 ZINC001172068262 1137534637 /nfs/dbraw/zinc/53/46/37/1137534637.db2.gz JOJIAOOFZPQBAR-FVAOYMSJSA-N 2 1 342.527 3.855 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127520 1137534760 /nfs/dbraw/zinc/53/47/60/1137534760.db2.gz JFULAIVDVWGISK-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127520 1137534761 /nfs/dbraw/zinc/53/47/61/1137534761.db2.gz JFULAIVDVWGISK-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172127520 1137534763 /nfs/dbraw/zinc/53/47/63/1137534763.db2.gz JFULAIVDVWGISK-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172127520 1137534765 /nfs/dbraw/zinc/53/47/65/1137534765.db2.gz JFULAIVDVWGISK-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172130749 1137535699 /nfs/dbraw/zinc/53/56/99/1137535699.db2.gz RCBZDKSVAGMFKV-YSTOQKLRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130749 1137535700 /nfs/dbraw/zinc/53/57/00/1137535700.db2.gz RCBZDKSVAGMFKV-YSTOQKLRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130749 1137535702 /nfs/dbraw/zinc/53/57/02/1137535702.db2.gz RCBZDKSVAGMFKV-YSTOQKLRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172130749 1137535703 /nfs/dbraw/zinc/53/57/03/1137535703.db2.gz RCBZDKSVAGMFKV-YSTOQKLRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172130749 1137535705 /nfs/dbraw/zinc/53/57/05/1137535705.db2.gz RCBZDKSVAGMFKV-YSTOQKLRSA-N 2 1 328.500 3.890 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1c(F)cccc1C(F)(F)F)C2 ZINC001172105062 1137536625 /nfs/dbraw/zinc/53/66/25/1137536625.db2.gz FVBAWJVXCGIXBN-XYYAHUGASA-N 2 1 330.369 3.949 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001172105062 1137536626 /nfs/dbraw/zinc/53/66/26/1137536626.db2.gz FVBAWJVXCGIXBN-XYYAHUGASA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001172105062 1137536627 /nfs/dbraw/zinc/53/66/27/1137536627.db2.gz FVBAWJVXCGIXBN-XYYAHUGASA-N 2 1 330.369 3.949 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3cccc(Br)c3C1)C2 ZINC001172120396 1137538214 /nfs/dbraw/zinc/53/82/14/1137538214.db2.gz KPVYIHMDRXTFHZ-MUJYYYPQSA-N 2 1 349.316 3.823 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3cccc(Br)c3C1)C2 ZINC001172120396 1137538216 /nfs/dbraw/zinc/53/82/16/1137538216.db2.gz KPVYIHMDRXTFHZ-MUJYYYPQSA-N 2 1 349.316 3.823 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cccc(Br)c3C1)C2 ZINC001172120396 1137538218 /nfs/dbraw/zinc/53/82/18/1137538218.db2.gz KPVYIHMDRXTFHZ-MUJYYYPQSA-N 2 1 349.316 3.823 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cccc(Br)c3C1)C2 ZINC001172120396 1137538220 /nfs/dbraw/zinc/53/82/20/1137538220.db2.gz KPVYIHMDRXTFHZ-MUJYYYPQSA-N 2 1 349.316 3.823 20 0 EHADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172121234 1137538228 /nfs/dbraw/zinc/53/82/28/1137538228.db2.gz CSNGTBWOZWSVAZ-XFKSJGNHSA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172121234 1137538230 /nfs/dbraw/zinc/53/82/30/1137538230.db2.gz CSNGTBWOZWSVAZ-XFKSJGNHSA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172121234 1137538231 /nfs/dbraw/zinc/53/82/31/1137538231.db2.gz CSNGTBWOZWSVAZ-XFKSJGNHSA-N 2 1 346.540 3.800 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115847 1137538403 /nfs/dbraw/zinc/53/84/03/1137538403.db2.gz VNJVPCFUSRMAKD-DKUWSORSSA-N 3 1 347.591 3.884 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115847 1137538405 /nfs/dbraw/zinc/53/84/05/1137538405.db2.gz VNJVPCFUSRMAKD-DKUWSORSSA-N 2 1 347.591 3.884 20 0 EHADMP Cc1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114005 1137538618 /nfs/dbraw/zinc/53/86/18/1137538618.db2.gz NQBKYRBDNKXTAE-BWTSREIZSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114005 1137538620 /nfs/dbraw/zinc/53/86/20/1137538620.db2.gz NQBKYRBDNKXTAE-BWTSREIZSA-N 2 1 328.500 3.854 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CSc2ccccc2C1 ZINC001172200172 1137543514 /nfs/dbraw/zinc/54/35/14/1137543514.db2.gz IKNDCELFWDAPSJ-APWZRJJASA-N 2 1 326.509 3.800 20 0 EHADMP CCOc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](CCCOC)CC2)cc1 ZINC001172255701 1137544802 /nfs/dbraw/zinc/54/48/02/1137544802.db2.gz KWFMLWPJMXUNDM-OAQYLSRUSA-N 2 1 346.515 3.723 20 0 EHADMP CCOc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](CCCOC)CC2)cc1 ZINC001172255701 1137544803 /nfs/dbraw/zinc/54/48/03/1137544803.db2.gz KWFMLWPJMXUNDM-OAQYLSRUSA-N 2 1 346.515 3.723 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001172256185 1137544845 /nfs/dbraw/zinc/54/48/45/1137544845.db2.gz RNJPXVLEWFQHAC-INIZCTEOSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001172256185 1137544846 /nfs/dbraw/zinc/54/48/46/1137544846.db2.gz RNJPXVLEWFQHAC-INIZCTEOSA-N 2 1 336.907 3.630 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C[C@@H]1C ZINC001172367783 1137555151 /nfs/dbraw/zinc/55/51/51/1137555151.db2.gz NEGTUOLWDHUESY-WQIFRTTPSA-N 2 1 347.591 3.740 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000872025812 1137565687 /nfs/dbraw/zinc/56/56/87/1137565687.db2.gz UCHQETPDFGBGRK-ZIFCJYIRSA-N 2 1 344.499 3.688 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000872031982 1137566483 /nfs/dbraw/zinc/56/64/83/1137566483.db2.gz ORNQDWZYKHODNU-ACRUOGEOSA-N 2 1 344.543 3.734 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000872080612 1137570180 /nfs/dbraw/zinc/57/01/80/1137570180.db2.gz AXRSMWJRJIUNKE-FYQPLNBISA-N 2 1 330.516 3.515 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)C[C@H]1C(F)(F)F ZINC000872149809 1137573978 /nfs/dbraw/zinc/57/39/78/1137573978.db2.gz BLEYBHSIDAKXQM-YVEFUNNKSA-N 2 1 332.369 3.825 20 0 EHADMP Fc1cccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057686 1137575407 /nfs/dbraw/zinc/57/54/07/1137575407.db2.gz MBJQNGKUFQZEOI-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP Fc1cccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057686 1137575408 /nfs/dbraw/zinc/57/54/08/1137575408.db2.gz MBJQNGKUFQZEOI-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP Fc1cccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057686 1137575409 /nfs/dbraw/zinc/57/54/09/1137575409.db2.gz MBJQNGKUFQZEOI-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP Fc1cccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057686 1137575410 /nfs/dbraw/zinc/57/54/10/1137575410.db2.gz MBJQNGKUFQZEOI-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1Cl ZINC000872252756 1137576374 /nfs/dbraw/zinc/57/63/74/1137576374.db2.gz VEBABCKDCMEKJL-CQSZACIVSA-N 2 1 326.916 3.513 20 0 EHADMP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000873283437 1137596291 /nfs/dbraw/zinc/59/62/91/1137596291.db2.gz TXETWLGQGZOPIQ-YESZJQIVSA-N 2 1 342.512 3.606 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)CC[NH2+]CC1CC1)C1CCCCC1 ZINC000876708463 1137659485 /nfs/dbraw/zinc/65/94/85/1137659485.db2.gz QPHOCNNITYKOEA-UHFFFAOYSA-N 2 1 343.515 3.779 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000876890971 1137664732 /nfs/dbraw/zinc/66/47/32/1137664732.db2.gz MXSYGUOVZLLCEV-KSEOMHKRSA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000876890971 1137664733 /nfs/dbraw/zinc/66/47/33/1137664733.db2.gz MXSYGUOVZLLCEV-KSEOMHKRSA-N 2 1 336.479 3.678 20 0 EHADMP COc1cnc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000876903014 1137664971 /nfs/dbraw/zinc/66/49/71/1137664971.db2.gz SWLWHGUEXAKQOF-UHFFFAOYSA-N 2 1 343.446 3.505 20 0 EHADMP CC(C)C[N@H+](Cc1ncc(C(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000877767603 1137688994 /nfs/dbraw/zinc/68/89/94/1137688994.db2.gz PEUPYPLBLGLIQO-UHFFFAOYSA-N 2 1 349.466 3.962 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000878369355 1137713213 /nfs/dbraw/zinc/71/32/13/1137713213.db2.gz LNFDJSXAVGHWDL-BEFAXECRSA-N 2 1 325.456 3.933 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878446387 1137716339 /nfs/dbraw/zinc/71/63/39/1137716339.db2.gz FSYBFGWUEYJINO-ZACQAIPSSA-N 2 1 332.479 3.539 20 0 EHADMP C[N@@H+](CCc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608456 1137721993 /nfs/dbraw/zinc/72/19/93/1137721993.db2.gz SJZCPWNJQSWRAR-XYPWUTKMSA-N 2 1 337.305 3.549 20 0 EHADMP C[NH+](CCc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608456 1137721994 /nfs/dbraw/zinc/72/19/94/1137721994.db2.gz SJZCPWNJQSWRAR-XYPWUTKMSA-N 2 1 337.305 3.549 20 0 EHADMP C[NH+](CCc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608456 1137721995 /nfs/dbraw/zinc/72/19/95/1137721995.db2.gz SJZCPWNJQSWRAR-XYPWUTKMSA-N 2 1 337.305 3.549 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000127451097 1137734852 /nfs/dbraw/zinc/73/48/52/1137734852.db2.gz BWWWASWBLWOAPD-INIZCTEOSA-N 2 1 331.504 3.950 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000127451097 1137734853 /nfs/dbraw/zinc/73/48/53/1137734853.db2.gz BWWWASWBLWOAPD-INIZCTEOSA-N 2 1 331.504 3.950 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000127451097 1137734854 /nfs/dbraw/zinc/73/48/54/1137734854.db2.gz BWWWASWBLWOAPD-INIZCTEOSA-N 2 1 331.504 3.950 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277486 1137772797 /nfs/dbraw/zinc/77/27/97/1137772797.db2.gz MZSNPFYKBZZPOT-LJQANCHMSA-N 2 1 349.482 3.851 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277486 1137772798 /nfs/dbraw/zinc/77/27/98/1137772798.db2.gz MZSNPFYKBZZPOT-LJQANCHMSA-N 2 1 349.482 3.851 20 0 EHADMP C[C@H]([NH2+]Cc1cc(O)ccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000883326059 1137855069 /nfs/dbraw/zinc/85/50/69/1137855069.db2.gz RGXMWPZDUMMALO-AWEZNQCLSA-N 2 1 348.874 3.837 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357015 1137857351 /nfs/dbraw/zinc/85/73/51/1137857351.db2.gz BAYMQGQKIMVUAV-VQTJNVASSA-N 2 1 340.511 3.875 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357015 1137857352 /nfs/dbraw/zinc/85/73/52/1137857352.db2.gz BAYMQGQKIMVUAV-VQTJNVASSA-N 2 1 340.511 3.875 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000883368684 1137857763 /nfs/dbraw/zinc/85/77/63/1137857763.db2.gz XQDIEKFGDMRKAW-WJMWBRGCSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1Cc1ccccc1 ZINC000883368684 1137857764 /nfs/dbraw/zinc/85/77/64/1137857764.db2.gz XQDIEKFGDMRKAW-WJMWBRGCSA-N 2 1 328.500 3.731 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883379804 1137858269 /nfs/dbraw/zinc/85/82/69/1137858269.db2.gz PGTLKKICFVFQDT-OAHLLOKOSA-N 2 1 325.456 3.791 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883439445 1137860663 /nfs/dbraw/zinc/86/06/63/1137860663.db2.gz RMHMZGPIEHTJJY-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP c1[nH+]c(C2CC[NH+](CCOC3CCCCC3)CC2)n2c1CCCC2 ZINC000886178938 1138056341 /nfs/dbraw/zinc/05/63/41/1138056341.db2.gz JGQOHYHCTQKOJT-UHFFFAOYSA-N 2 1 331.504 3.748 20 0 EHADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOC2(CCC2)C1 ZINC000886345072 1138069672 /nfs/dbraw/zinc/06/96/72/1138069672.db2.gz RCQYCEZCBJMEKG-OAQYLSRUSA-N 2 1 342.527 3.980 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000886501231 1138084457 /nfs/dbraw/zinc/08/44/57/1138084457.db2.gz BPKVVBOUNOUWBP-BFUOFWGJSA-N 2 1 327.447 3.758 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000886504959 1138085134 /nfs/dbraw/zinc/08/51/34/1138085134.db2.gz ATSPJPYDETYPHU-LJQANCHMSA-N 2 1 339.483 3.579 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCc3cccnc32)C[N@H+]1Cc1ccccc1 ZINC000886554765 1138095617 /nfs/dbraw/zinc/09/56/17/1138095617.db2.gz BPKUPAUYFLDKHC-LMNJBCLMSA-N 2 1 335.495 3.959 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000886557018 1138095925 /nfs/dbraw/zinc/09/59/25/1138095925.db2.gz PLDYJXGKLZYFLI-SXYSDOLCSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000348401355 1138187457 /nfs/dbraw/zinc/18/74/57/1138187457.db2.gz BCDSCRZPGZRCSS-HRAATJIYSA-N 2 1 338.499 3.848 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000090585879 1138212128 /nfs/dbraw/zinc/21/21/28/1138212128.db2.gz MVXQWDNEEKFPMM-WMZOPIPTSA-N 2 1 331.504 3.664 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000090585879 1138212129 /nfs/dbraw/zinc/21/21/29/1138212129.db2.gz MVXQWDNEEKFPMM-WMZOPIPTSA-N 2 1 331.504 3.664 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CCN1C ZINC000093645054 1138239083 /nfs/dbraw/zinc/23/90/83/1138239083.db2.gz ADFJKPBBWCCMCQ-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645054 1138239084 /nfs/dbraw/zinc/23/90/84/1138239084.db2.gz ADFJKPBBWCCMCQ-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645054 1138239086 /nfs/dbraw/zinc/23/90/86/1138239086.db2.gz ADFJKPBBWCCMCQ-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645054 1138239087 /nfs/dbraw/zinc/23/90/87/1138239087.db2.gz ADFJKPBBWCCMCQ-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645054 1138239089 /nfs/dbraw/zinc/23/90/89/1138239089.db2.gz ADFJKPBBWCCMCQ-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645054 1138239090 /nfs/dbraw/zinc/23/90/90/1138239090.db2.gz ADFJKPBBWCCMCQ-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645054 1138239092 /nfs/dbraw/zinc/23/90/92/1138239092.db2.gz ADFJKPBBWCCMCQ-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000093644287 1138239536 /nfs/dbraw/zinc/23/95/36/1138239536.db2.gz XORWLQJFSQCOLL-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644287 1138239538 /nfs/dbraw/zinc/23/95/38/1138239538.db2.gz XORWLQJFSQCOLL-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644287 1138239540 /nfs/dbraw/zinc/23/95/40/1138239540.db2.gz XORWLQJFSQCOLL-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000124641028 1138291098 /nfs/dbraw/zinc/29/10/98/1138291098.db2.gz ZEEPSAGHXMAWPY-BBWFWOEESA-N 2 1 328.456 3.740 20 0 EHADMP CO[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000282986456 1138312090 /nfs/dbraw/zinc/31/20/90/1138312090.db2.gz FWKWCONHQGDLSO-FQEVSTJZSA-N 2 1 339.483 3.787 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2)CC1 ZINC000130360198 1138450475 /nfs/dbraw/zinc/45/04/75/1138450475.db2.gz IPDRXVLZZJJXSF-UHFFFAOYSA-N 2 1 346.906 3.595 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCCn3ccnc3C)cc2)n1 ZINC000130506472 1138458789 /nfs/dbraw/zinc/45/87/89/1138458789.db2.gz BTWVUNRAXYMVOF-UHFFFAOYSA-N 2 1 337.471 3.516 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CCCn3cc[nH+]c3C)cc2)n1 ZINC000130506472 1138458792 /nfs/dbraw/zinc/45/87/92/1138458792.db2.gz BTWVUNRAXYMVOF-UHFFFAOYSA-N 2 1 337.471 3.516 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCCn3cc[nH+]c3C)cc2)n1 ZINC000130506472 1138458796 /nfs/dbraw/zinc/45/87/96/1138458796.db2.gz BTWVUNRAXYMVOF-UHFFFAOYSA-N 2 1 337.471 3.516 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C[C@H](C)O1 ZINC000337376070 1138549497 /nfs/dbraw/zinc/54/94/97/1138549497.db2.gz AJFMGCBMTVPEMM-QKLQHJQFSA-N 2 1 328.500 3.718 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000337816006 1138674891 /nfs/dbraw/zinc/67/48/91/1138674891.db2.gz OMNZGTLAWFEGCK-HNNXBMFYSA-N 2 1 332.517 3.503 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000338143723 1138764678 /nfs/dbraw/zinc/76/46/78/1138764678.db2.gz UJIKOKPFZBGECW-UHFFFAOYSA-N 2 1 348.922 3.964 20 0 EHADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000338374667 1138868256 /nfs/dbraw/zinc/86/82/56/1138868256.db2.gz ZGAODKZEOXAKJL-HNNXBMFYSA-N 2 1 343.471 3.509 20 0 EHADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000338374667 1138868264 /nfs/dbraw/zinc/86/82/64/1138868264.db2.gz ZGAODKZEOXAKJL-HNNXBMFYSA-N 2 1 343.471 3.509 20 0 EHADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)[C@H](C)C2CC2)c(OC)c1 ZINC000338374668 1138868722 /nfs/dbraw/zinc/86/87/22/1138868722.db2.gz ZGAODKZEOXAKJL-OAHLLOKOSA-N 2 1 343.471 3.509 20 0 EHADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)[C@H](C)C2CC2)c(OC)c1 ZINC000338374668 1138868731 /nfs/dbraw/zinc/86/87/31/1138868731.db2.gz ZGAODKZEOXAKJL-OAHLLOKOSA-N 2 1 343.471 3.509 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000151106263 1139008774 /nfs/dbraw/zinc/00/87/74/1139008774.db2.gz ZBXPJGDBSWCFMC-UONOGXRCSA-N 2 1 342.430 3.679 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152476602 1139093701 /nfs/dbraw/zinc/09/37/01/1139093701.db2.gz LTHHSLFCNZUQID-JKSUJKDBSA-N 2 1 332.488 3.619 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749321 1139149802 /nfs/dbraw/zinc/14/98/02/1139149802.db2.gz JWQIPWHVEYFMNK-SPYBWZPUSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749321 1139149804 /nfs/dbraw/zinc/14/98/04/1139149804.db2.gz JWQIPWHVEYFMNK-SPYBWZPUSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174275205 1139410760 /nfs/dbraw/zinc/41/07/60/1139410760.db2.gz XOHQPRMXMPTCDI-CALCHBBNSA-N 2 1 342.483 3.540 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174275205 1139410764 /nfs/dbraw/zinc/41/07/64/1139410764.db2.gz XOHQPRMXMPTCDI-CALCHBBNSA-N 2 1 342.483 3.540 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccsc3)CC2)oc1C ZINC000178106142 1139671122 /nfs/dbraw/zinc/67/11/22/1139671122.db2.gz PLEVAWAOLCAWFE-CQSZACIVSA-N 2 1 333.501 3.916 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccsc1 ZINC000178617018 1139707202 /nfs/dbraw/zinc/70/72/02/1139707202.db2.gz AJJUHAYMCZRMOD-HOTGVXAUSA-N 2 1 330.497 3.820 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccsc1 ZINC000178617018 1139707204 /nfs/dbraw/zinc/70/72/04/1139707204.db2.gz AJJUHAYMCZRMOD-HOTGVXAUSA-N 2 1 330.497 3.820 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1SC ZINC000178704254 1139713166 /nfs/dbraw/zinc/71/31/66/1139713166.db2.gz JZOHKEQJHWHGMH-UONOGXRCSA-N 2 1 333.501 3.909 20 0 EHADMP CC1(C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000180149493 1139813773 /nfs/dbraw/zinc/81/37/73/1139813773.db2.gz DPSVQSWFHQGBSI-KUQDVAMZSA-N 2 1 340.511 3.585 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180442558 1139835929 /nfs/dbraw/zinc/83/59/29/1139835929.db2.gz UQHPAQFZRQHUJW-RDJZCZTQSA-N 2 1 336.483 3.764 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1Cl ZINC000180640376 1139853278 /nfs/dbraw/zinc/85/32/78/1139853278.db2.gz QQCJFTWQBVNYPA-QAPCUYQASA-N 2 1 344.886 3.757 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181357199 1139901724 /nfs/dbraw/zinc/90/17/24/1139901724.db2.gz BSCCKRNRYWJAAQ-SCRDCRAPSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181357199 1139901730 /nfs/dbraw/zinc/90/17/30/1139901730.db2.gz BSCCKRNRYWJAAQ-SCRDCRAPSA-N 2 1 343.284 3.592 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)c1 ZINC000182833236 1139996168 /nfs/dbraw/zinc/99/61/68/1139996168.db2.gz MKRVKEJBNKEFHE-HXUWFJFHSA-N 2 1 348.437 3.894 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371084 1140200262 /nfs/dbraw/zinc/20/02/62/1140200262.db2.gz KQNFIOBSDAQCRF-GGPKGHCWSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000192717492 1140546491 /nfs/dbraw/zinc/54/64/91/1140546491.db2.gz RDUJDSPNXJDHEX-HXUWFJFHSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@H](CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000193818998 1140587913 /nfs/dbraw/zinc/58/79/13/1140587913.db2.gz CMFQMOSQCAUHPE-NJYVYQBISA-N 2 1 343.559 3.671 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268731660 1140978698 /nfs/dbraw/zinc/97/86/98/1140978698.db2.gz UGLQERDBYIAOEL-YZGWKJHDSA-N 2 1 341.499 3.525 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000268765637 1140986815 /nfs/dbraw/zinc/98/68/15/1140986815.db2.gz BRBOCOIHSOINPW-VLIAUNLRSA-N 2 1 339.414 3.704 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789491 1140993181 /nfs/dbraw/zinc/99/31/81/1140993181.db2.gz TXQYFGWXGCHFIL-KBPBESRZSA-N 2 1 330.394 3.620 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@@H+]1C ZINC000268823774 1141001007 /nfs/dbraw/zinc/00/10/07/1141001007.db2.gz OVRVEAXPIMTNEH-LPHOPBHVSA-N 2 1 337.467 3.511 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@H+]1C ZINC000268823774 1141001012 /nfs/dbraw/zinc/00/10/12/1141001012.db2.gz OVRVEAXPIMTNEH-LPHOPBHVSA-N 2 1 337.467 3.511 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000268832129 1141003514 /nfs/dbraw/zinc/00/35/14/1141003514.db2.gz FPSJUWBHJLMCFI-LBPRGKRZSA-N 2 1 327.350 3.831 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000268851654 1141008519 /nfs/dbraw/zinc/00/85/19/1141008519.db2.gz KGQIMOIZLJHCGE-KGLIPLIRSA-N 2 1 328.485 3.973 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000268872831 1141014834 /nfs/dbraw/zinc/01/48/34/1141014834.db2.gz PRYBAGNORNPUNF-LBPRGKRZSA-N 2 1 337.851 3.603 20 0 EHADMP CCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOCC1 ZINC000268888587 1141017249 /nfs/dbraw/zinc/01/72/49/1141017249.db2.gz CPLSZOZHSDZIPC-UHFFFAOYSA-N 2 1 348.506 3.629 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000269137554 1141071288 /nfs/dbraw/zinc/07/12/88/1141071288.db2.gz VTJDNNAEKUKIRW-UHFFFAOYSA-N 2 1 327.472 3.742 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270339296 1141208436 /nfs/dbraw/zinc/20/84/36/1141208436.db2.gz OBYLDEDKMIOQPW-DYVFJYSZSA-N 2 1 345.314 3.691 20 0 EHADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000271151944 1141315118 /nfs/dbraw/zinc/31/51/18/1141315118.db2.gz QJSFXUKCAZBRBX-PKOBYXMFSA-N 2 1 328.500 3.778 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000271510135 1141383604 /nfs/dbraw/zinc/38/36/04/1141383604.db2.gz NOFTXOQBDMWJEU-BVYCBKJFSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000271610374 1141405874 /nfs/dbraw/zinc/40/58/74/1141405874.db2.gz AKZAFRARYMHYRB-IAGOWNOFSA-N 2 1 328.504 3.879 20 0 EHADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC(C)C ZINC000348868933 1141599962 /nfs/dbraw/zinc/59/99/62/1141599962.db2.gz LSWNBLIZZZWSQR-DFNIBXOVSA-N 2 1 346.515 3.787 20 0 EHADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC(C)C ZINC000348868933 1141599970 /nfs/dbraw/zinc/59/99/70/1141599970.db2.gz LSWNBLIZZZWSQR-DFNIBXOVSA-N 2 1 346.515 3.787 20 0 EHADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC(C)C ZINC000348868933 1141599974 /nfs/dbraw/zinc/59/99/74/1141599974.db2.gz LSWNBLIZZZWSQR-DFNIBXOVSA-N 2 1 346.515 3.787 20 0 EHADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC(C)C ZINC000348868933 1141599977 /nfs/dbraw/zinc/59/99/77/1141599977.db2.gz LSWNBLIZZZWSQR-DFNIBXOVSA-N 2 1 346.515 3.787 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000037644590 521711061 /nfs/dbraw/zinc/71/10/61/521711061.db2.gz JTSKNFQXFNVEED-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[N@H+](Cc1cc(Br)ccc1Cl)CC1CC[NH2+]CC1 ZINC000234286605 523163170 /nfs/dbraw/zinc/16/31/70/523163170.db2.gz WHLWNRYSULGGON-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC001165037937 721898362 /nfs/dbraw/zinc/89/83/62/721898362.db2.gz OKHBIQSYINYEOC-OALUTQOASA-N 2 1 330.520 3.549 20 0 EHADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cc(C4CC4)cc[nH+]2)CC3)c1 ZINC001164953116 722018829 /nfs/dbraw/zinc/01/88/29/722018829.db2.gz RTDURYFVJCMDLN-UHFFFAOYSA-N 2 1 348.494 3.847 20 0 EHADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc(C4CC4)cc[nH+]2)CC3)c1 ZINC001164953116 722018832 /nfs/dbraw/zinc/01/88/32/722018832.db2.gz RTDURYFVJCMDLN-UHFFFAOYSA-N 2 1 348.494 3.847 20 0 EHADMP Fc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449038273 1032083190 /nfs/dbraw/zinc/08/31/90/1032083190.db2.gz SQOYFESUMWNZCR-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP CC(C)N1CCc2nc(CNCc3coc4ccccc34)sc2C1 ZINC000339407778 1014368186 /nfs/dbraw/zinc/36/81/86/1014368186.db2.gz NILLHMXWZLOPFV-UHFFFAOYSA-N 2 1 341.480 3.946 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000643548770 1014517481 /nfs/dbraw/zinc/51/74/81/1014517481.db2.gz UUYITNZGEWDUHG-CJNGLKHVSA-N 2 1 339.405 3.742 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1F ZINC000643548742 1014518137 /nfs/dbraw/zinc/51/81/37/1014518137.db2.gz ULWSOHNJDXMLKC-DGCLKSJQSA-N 2 1 341.268 3.914 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1SC ZINC000459426687 1032109448 /nfs/dbraw/zinc/10/94/48/1032109448.db2.gz NLNOQUXFWLQCAL-PKOFMYQESA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1SC ZINC000459426687 1032109459 /nfs/dbraw/zinc/10/94/59/1032109459.db2.gz NLNOQUXFWLQCAL-PKOFMYQESA-N 2 1 348.556 3.538 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)cc1F ZINC000182585410 1032112829 /nfs/dbraw/zinc/11/28/29/1032112829.db2.gz KPMDINOIGSBHON-CYBMUJFWSA-N 2 1 347.434 3.530 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@@H]1c1cccs1 ZINC000459430416 1032115859 /nfs/dbraw/zinc/11/58/59/1032115859.db2.gz LBEMUVFCKYTTJJ-SJLPKXTDSA-N 2 1 342.512 3.588 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@@H]1c1cccs1 ZINC000459430416 1032115867 /nfs/dbraw/zinc/11/58/67/1032115867.db2.gz LBEMUVFCKYTTJJ-SJLPKXTDSA-N 2 1 342.512 3.588 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000154471607 1015481633 /nfs/dbraw/zinc/48/16/33/1015481633.db2.gz RQWLGZWGGVHZFZ-HNNXBMFYSA-N 2 1 341.902 3.547 20 0 EHADMP O[C@@]1(C[NH2+]C2CCC3(CCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000705424486 1015552181 /nfs/dbraw/zinc/55/21/81/1015552181.db2.gz DRQBPZLMQIZXNK-JOCHJYFZSA-N 2 1 342.527 3.716 20 0 EHADMP O[C@@]1(C[NH2+]C2CCC3(CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000705424486 1015552193 /nfs/dbraw/zinc/55/21/93/1015552193.db2.gz DRQBPZLMQIZXNK-JOCHJYFZSA-N 2 1 342.527 3.716 20 0 EHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274876150 1015562488 /nfs/dbraw/zinc/56/24/88/1015562488.db2.gz GQSDEMAEXAQMKU-PAMCTJKJSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274876150 1015562492 /nfs/dbraw/zinc/56/24/92/1015562492.db2.gz GQSDEMAEXAQMKU-PAMCTJKJSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876150 1015562499 /nfs/dbraw/zinc/56/24/99/1015562499.db2.gz GQSDEMAEXAQMKU-PAMCTJKJSA-N 2 1 341.543 3.502 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000471227154 1015824845 /nfs/dbraw/zinc/82/48/45/1015824845.db2.gz MWROQRNEGZFKAR-GOEBONIOSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000471227154 1015824857 /nfs/dbraw/zinc/82/48/57/1015824857.db2.gz MWROQRNEGZFKAR-GOEBONIOSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000471227154 1015824862 /nfs/dbraw/zinc/82/48/62/1015824862.db2.gz MWROQRNEGZFKAR-GOEBONIOSA-N 2 1 344.421 3.746 20 0 EHADMP CC(=O)OC(C)(C)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209155147 1015853953 /nfs/dbraw/zinc/85/39/53/1015853953.db2.gz GIQZJYUVKMHPBR-HXUWFJFHSA-N 2 1 346.515 3.562 20 0 EHADMP CC(=O)OC(C)(C)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209155147 1015853961 /nfs/dbraw/zinc/85/39/61/1015853961.db2.gz GIQZJYUVKMHPBR-HXUWFJFHSA-N 2 1 346.515 3.562 20 0 EHADMP CC(=O)OC(C)(C)CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209155147 1015853967 /nfs/dbraw/zinc/85/39/67/1015853967.db2.gz GIQZJYUVKMHPBR-HXUWFJFHSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)CC[N@H+]1C ZINC000155013993 1016055726 /nfs/dbraw/zinc/05/57/26/1016055726.db2.gz MFEOLFREPVVWCA-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP C[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1CCCCC1 ZINC000904572971 1032137882 /nfs/dbraw/zinc/13/78/82/1032137882.db2.gz WDBLJKZUPLQJMF-UHFFFAOYSA-N 2 1 346.519 3.657 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904575092 1032140934 /nfs/dbraw/zinc/14/09/34/1032140934.db2.gz POIFCEIFABZNEH-MRXNPFEDSA-N 2 1 346.519 3.514 20 0 EHADMP C[C@@H]1CC(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC001209391046 1016143108 /nfs/dbraw/zinc/14/31/08/1016143108.db2.gz QKGDCBHCKVQOSU-GGPKGHCWSA-N 2 1 330.516 3.644 20 0 EHADMP C[C@@H]1CC(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC001209391046 1016143114 /nfs/dbraw/zinc/14/31/14/1016143114.db2.gz QKGDCBHCKVQOSU-GGPKGHCWSA-N 2 1 330.516 3.644 20 0 EHADMP C[C@@H]1CC(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC001209391046 1016143121 /nfs/dbraw/zinc/14/31/21/1016143121.db2.gz QKGDCBHCKVQOSU-GGPKGHCWSA-N 2 1 330.516 3.644 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000398176788 1016530032 /nfs/dbraw/zinc/53/00/32/1016530032.db2.gz VZUGOTCEHQOLJX-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC000449075084 1032161826 /nfs/dbraw/zinc/16/18/26/1032161826.db2.gz QRSLDGOVCAUEGC-IYBDPMFKSA-N 2 1 344.524 3.956 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449098627 1032180029 /nfs/dbraw/zinc/18/00/29/1032180029.db2.gz KJQZZQQVKVAERN-UHFFFAOYSA-N 2 1 332.488 3.592 20 0 EHADMP CC[N@H+]1CCC[C@H](CNCc2cnc(-c3ccccc3F)s2)C1 ZINC000449104532 1032183794 /nfs/dbraw/zinc/18/37/94/1032183794.db2.gz GDOPGBIUSXDASF-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449104532 1032183804 /nfs/dbraw/zinc/18/38/04/1032183804.db2.gz GDOPGBIUSXDASF-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183686652 1032195690 /nfs/dbraw/zinc/19/56/90/1032195690.db2.gz IQJCMOWFMZQVKI-HNNXBMFYSA-N 2 1 329.444 3.565 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634922 1032213601 /nfs/dbraw/zinc/21/36/01/1032213601.db2.gz VMSPGPLAPLKWGR-JBACZVJFSA-N 2 1 340.515 3.550 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634922 1032213619 /nfs/dbraw/zinc/21/36/19/1032213619.db2.gz VMSPGPLAPLKWGR-JBACZVJFSA-N 2 1 340.515 3.550 20 0 EHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000657843516 1032217152 /nfs/dbraw/zinc/21/71/52/1032217152.db2.gz ZWCTZVDTIGISKU-NVXWUHKLSA-N 2 1 328.422 3.958 20 0 EHADMP CCOc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)c1O ZINC000459527479 1032245192 /nfs/dbraw/zinc/24/51/92/1032245192.db2.gz ZAJPWCUDQJXIPV-UHFFFAOYSA-N 2 1 338.879 3.505 20 0 EHADMP CCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)c1O ZINC000459527479 1032245207 /nfs/dbraw/zinc/24/52/07/1032245207.db2.gz ZAJPWCUDQJXIPV-UHFFFAOYSA-N 2 1 338.879 3.505 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461107765 1032257090 /nfs/dbraw/zinc/25/70/90/1032257090.db2.gz CVHSMYVTMCCMOX-FUHWJXTLSA-N 2 1 348.531 3.691 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000449179463 1032293090 /nfs/dbraw/zinc/29/30/90/1032293090.db2.gz ZZKIGFKEASLZRW-QIJUGHKUSA-N 3 1 343.559 3.544 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CCCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000449227551 1032345399 /nfs/dbraw/zinc/34/53/99/1032345399.db2.gz VEMMKUDHLQNMQD-OGWOLHLISA-N 2 1 330.520 3.867 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@H](C)C1 ZINC000536882738 1032387474 /nfs/dbraw/zinc/38/74/74/1032387474.db2.gz MSGOTHOTVNWFRY-APWZRJJASA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@H](C)C1 ZINC000536882738 1032387486 /nfs/dbraw/zinc/38/74/86/1032387486.db2.gz MSGOTHOTVNWFRY-APWZRJJASA-N 2 1 346.515 3.837 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1F ZINC000892741172 1017284593 /nfs/dbraw/zinc/28/45/93/1017284593.db2.gz QPCGAGFDGDLOCV-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000892741172 1017284607 /nfs/dbraw/zinc/28/46/07/1017284607.db2.gz QPCGAGFDGDLOCV-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459795994 1032478953 /nfs/dbraw/zinc/47/89/53/1032478953.db2.gz VTCGHIXMNYYYHG-ROUUACIJSA-N 2 1 345.531 3.849 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CCCC2)o1 ZINC000537189867 1032559613 /nfs/dbraw/zinc/55/96/13/1032559613.db2.gz IFCKJASVDCIYCY-NRFANRHFSA-N 2 1 347.547 3.683 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000090579540 1032585577 /nfs/dbraw/zinc/58/55/77/1032585577.db2.gz IQGXGBJTKOMLSD-NHYWBVRUSA-N 2 1 345.712 3.575 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000449463883 1032612405 /nfs/dbraw/zinc/61/24/05/1032612405.db2.gz XBDMEDADCJSWQK-WFASDCNBSA-N 2 1 338.377 3.739 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246038921 1032620574 /nfs/dbraw/zinc/62/05/74/1032620574.db2.gz WWYNJPKWLNKFDG-KSVNGYGVSA-N 2 1 326.488 3.525 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324500741 1017208322 /nfs/dbraw/zinc/20/83/22/1017208322.db2.gz LBZIIOKLNXGTFE-GOEBONIOSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324500741 1017208334 /nfs/dbraw/zinc/20/83/34/1017208334.db2.gz LBZIIOKLNXGTFE-GOEBONIOSA-N 2 1 328.378 3.549 20 0 EHADMP CCN(CCC[NH+](CC)CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001167285928 1017221069 /nfs/dbraw/zinc/22/10/69/1017221069.db2.gz CDSOXFVHQPESMO-PZJWPPBQSA-N 2 1 331.548 3.876 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655700559 1017417037 /nfs/dbraw/zinc/41/70/37/1017417037.db2.gz MRMIIFYDKKHMQB-WIYYLYMNSA-N 2 1 344.543 3.976 20 0 EHADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000415088095 1017534017 /nfs/dbraw/zinc/53/40/17/1017534017.db2.gz LOTZRYJJVXMYPR-KKUMJFAQSA-N 2 1 338.467 3.804 20 0 EHADMP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000415111095 1017560949 /nfs/dbraw/zinc/56/09/49/1017560949.db2.gz BRRXKQDKWOKTMQ-QRVBRYPASA-N 3 1 329.532 3.539 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415113251 1017568621 /nfs/dbraw/zinc/56/86/21/1017568621.db2.gz DUIYSOVNYUJLIB-MPQSDHOMSA-N 3 1 329.532 3.668 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C1 ZINC000415118504 1017575407 /nfs/dbraw/zinc/57/54/07/1017575407.db2.gz DHVFYCMFBWXAMM-CXAGYDPISA-N 2 1 343.298 3.712 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000340440687 1017825435 /nfs/dbraw/zinc/82/54/35/1017825435.db2.gz RDNPLSBREZMXDJ-UHFFFAOYSA-N 2 1 335.451 3.869 20 0 EHADMP CCc1noc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340441445 1017828258 /nfs/dbraw/zinc/82/82/58/1017828258.db2.gz YIXXISWOKZSGRP-YQQQUEKLSA-N 2 1 339.483 3.831 20 0 EHADMP CCc1noc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000340441445 1017828275 /nfs/dbraw/zinc/82/82/75/1017828275.db2.gz YIXXISWOKZSGRP-YQQQUEKLSA-N 2 1 339.483 3.831 20 0 EHADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000377617988 1018069497 /nfs/dbraw/zinc/06/94/97/1018069497.db2.gz BLBMEZACSHIYIR-OXQOHEQNSA-N 2 1 349.950 3.544 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560828 1032807817 /nfs/dbraw/zinc/80/78/17/1032807817.db2.gz PYGCWPLCBYCIOA-RLAWYHOSSA-N 2 1 343.298 3.976 20 0 EHADMP COCc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708550697 1032811003 /nfs/dbraw/zinc/81/10/03/1032811003.db2.gz IPHPEZGVACMMST-GCJKJVERSA-N 2 1 338.495 3.691 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261748936 1019453394 /nfs/dbraw/zinc/45/33/94/1019453394.db2.gz MLINOSLTDVMEIA-FUHWJXTLSA-N 2 1 340.471 3.511 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000513325375 1019534069 /nfs/dbraw/zinc/53/40/69/1019534069.db2.gz HPILKTFQSUNTKY-UIFIKXQLSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000513325375 1019534085 /nfs/dbraw/zinc/53/40/85/1019534085.db2.gz HPILKTFQSUNTKY-UIFIKXQLSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000513469706 1019723784 /nfs/dbraw/zinc/72/37/84/1019723784.db2.gz RNTAGHFLHCFZLL-HKUYNNGSSA-N 2 1 343.559 3.938 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000513469706 1019723803 /nfs/dbraw/zinc/72/38/03/1019723803.db2.gz RNTAGHFLHCFZLL-HKUYNNGSSA-N 2 1 343.559 3.938 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000513507562 1019753113 /nfs/dbraw/zinc/75/31/13/1019753113.db2.gz VBSLMBKWKHOTOD-IEBWSBKVSA-N 2 1 348.494 3.953 20 0 EHADMP Cc1nc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513498830 1019755764 /nfs/dbraw/zinc/75/57/64/1019755764.db2.gz CDKBCRHAIQIUIG-MAUKXSAKSA-N 2 1 329.513 3.842 20 0 EHADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C[NH+]1CCCCC1 ZINC000513646675 1019918231 /nfs/dbraw/zinc/91/82/31/1019918231.db2.gz APEFMFKZLVPRMD-INIZCTEOSA-N 2 1 346.906 3.737 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000513678960 1019941471 /nfs/dbraw/zinc/94/14/71/1019941471.db2.gz SPZGTRWBVRAYQN-KCUHQSDYSA-N 2 1 343.515 3.634 20 0 EHADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000340749031 1019942409 /nfs/dbraw/zinc/94/24/09/1019942409.db2.gz ZISVZJJRCCCWSM-USJZOSNVSA-N 2 1 338.854 3.526 20 0 EHADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398199850 1019944623 /nfs/dbraw/zinc/94/46/23/1019944623.db2.gz PFBJRNMDBOTMDN-XMSQKQJNSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCCc1cncn1C ZINC000580900987 1020205555 /nfs/dbraw/zinc/20/55/55/1020205555.db2.gz GLBULNXGVRCZDG-AWEZNQCLSA-N 2 1 339.405 3.935 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCCc1c[nH+]cn1C ZINC000580900987 1020205559 /nfs/dbraw/zinc/20/55/59/1020205559.db2.gz GLBULNXGVRCZDG-AWEZNQCLSA-N 2 1 339.405 3.935 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000580900987 1020205567 /nfs/dbraw/zinc/20/55/67/1020205567.db2.gz GLBULNXGVRCZDG-AWEZNQCLSA-N 2 1 339.405 3.935 20 0 EHADMP Fc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168402435 1032900305 /nfs/dbraw/zinc/90/03/05/1032900305.db2.gz ZJOQJKKDGUOUDR-PGRDOPGGSA-N 2 1 338.470 3.795 20 0 EHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000581458563 1020930900 /nfs/dbraw/zinc/93/09/00/1020930900.db2.gz YROWEHKIAFVQCO-HOTGVXAUSA-N 2 1 343.515 3.744 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000581458563 1020930907 /nfs/dbraw/zinc/93/09/07/1020930907.db2.gz YROWEHKIAFVQCO-HOTGVXAUSA-N 2 1 343.515 3.744 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600309 1021136373 /nfs/dbraw/zinc/13/63/73/1021136373.db2.gz KCHPNGCLURJWEL-GOEBONIOSA-N 2 1 328.422 3.956 20 0 EHADMP CSC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000518450973 1021187974 /nfs/dbraw/zinc/18/79/74/1021187974.db2.gz KMDWWNJQAJGDAX-OALUTQOASA-N 2 1 330.541 3.726 20 0 EHADMP CSC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000518450973 1021187980 /nfs/dbraw/zinc/18/79/80/1021187980.db2.gz KMDWWNJQAJGDAX-OALUTQOASA-N 2 1 330.541 3.726 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000507504927 1021313599 /nfs/dbraw/zinc/31/35/99/1021313599.db2.gz CXHNCOUDEXQFNA-DBXWQHBBSA-N 2 1 330.516 3.823 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C3CCCC3)c2)CC12CCOCC2 ZINC000656785716 1021337801 /nfs/dbraw/zinc/33/78/01/1021337801.db2.gz IQNPDVUGOSSBIW-FQEVSTJZSA-N 2 1 328.500 3.532 20 0 EHADMP Cc1ccccc1C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000518686337 1021423247 /nfs/dbraw/zinc/42/32/47/1021423247.db2.gz WDDYLWCQRWUIQS-JQVVWYNYSA-N 2 1 344.543 3.795 20 0 EHADMP Brc1c[nH+]ccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000341361619 1021536879 /nfs/dbraw/zinc/53/68/79/1021536879.db2.gz HCKRATPEUGXJPG-QGZVFWFLSA-N 2 1 346.272 3.515 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]2CCO[C@@H]21 ZINC000516649840 1021626465 /nfs/dbraw/zinc/62/64/65/1021626465.db2.gz AUNPYJWWMIRTKU-WCIQWLHISA-N 2 1 340.511 3.587 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]2CCO[C@@H]21 ZINC000516649840 1021626474 /nfs/dbraw/zinc/62/64/74/1021626474.db2.gz AUNPYJWWMIRTKU-WCIQWLHISA-N 2 1 340.511 3.587 20 0 EHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCOc5ccccc54)C[C@H]3C2)cc1 ZINC000684412836 1021672169 /nfs/dbraw/zinc/67/21/69/1021672169.db2.gz BAZCTHLMAUKXNB-PCCBWWKXSA-N 2 1 348.490 3.617 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CCOc5ccccc54)C[C@H]3C2)cc1 ZINC000684412836 1021672173 /nfs/dbraw/zinc/67/21/73/1021672173.db2.gz BAZCTHLMAUKXNB-PCCBWWKXSA-N 2 1 348.490 3.617 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CCOc5ccccc54)C[C@H]3C2)cc1 ZINC000684412836 1021672180 /nfs/dbraw/zinc/67/21/80/1021672180.db2.gz BAZCTHLMAUKXNB-PCCBWWKXSA-N 2 1 348.490 3.617 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2C1 ZINC000426488793 1021694864 /nfs/dbraw/zinc/69/48/64/1021694864.db2.gz XTWCNLVUZLLSOX-UHFFFAOYSA-N 2 1 343.515 3.863 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2C1 ZINC000426488793 1021694869 /nfs/dbraw/zinc/69/48/69/1021694869.db2.gz XTWCNLVUZLLSOX-UHFFFAOYSA-N 2 1 343.515 3.863 20 0 EHADMP CC1(C)C[C@@H](NC2CC([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000684425275 1021808848 /nfs/dbraw/zinc/80/88/48/1021808848.db2.gz JCOTVWBGOZTNAH-NYLDSWQDSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188104637 1021838275 /nfs/dbraw/zinc/83/82/75/1021838275.db2.gz WFDSNOVVSKAHTB-FGZHOGPDSA-N 2 1 344.543 3.976 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969895 1021901607 /nfs/dbraw/zinc/90/16/07/1021901607.db2.gz KWVQENYCRQGRDJ-PWRODBHTSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969895 1021901620 /nfs/dbraw/zinc/90/16/20/1021901620.db2.gz KWVQENYCRQGRDJ-PWRODBHTSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647186635 1021965107 /nfs/dbraw/zinc/96/51/07/1021965107.db2.gz QVTCTJPUBKGITD-LJQANCHMSA-N 2 1 330.516 3.572 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647186635 1021965120 /nfs/dbraw/zinc/96/51/20/1021965120.db2.gz QVTCTJPUBKGITD-LJQANCHMSA-N 2 1 330.516 3.572 20 0 EHADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)cc(Br)c1 ZINC000471758077 1021998697 /nfs/dbraw/zinc/99/86/97/1021998697.db2.gz HYBKYOXHKMJUMR-HNNXBMFYSA-N 2 1 340.240 3.605 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCCCC1 ZINC000519381388 1022055746 /nfs/dbraw/zinc/05/57/46/1022055746.db2.gz CVOYFCMMPUDVBC-IRXDYDNUSA-N 2 1 341.421 3.975 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602610531 1033027420 /nfs/dbraw/zinc/02/74/20/1033027420.db2.gz ARGGDSXYHIFFRS-NDUPCHFUSA-N 2 1 344.499 3.532 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602610531 1033027432 /nfs/dbraw/zinc/02/74/32/1033027432.db2.gz ARGGDSXYHIFFRS-NDUPCHFUSA-N 2 1 344.499 3.532 20 0 EHADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969493 1022332945 /nfs/dbraw/zinc/33/29/45/1022332945.db2.gz DEQROFNBTGMYAB-MIJOPJBOSA-N 2 1 328.500 3.708 20 0 EHADMP COC(=O)c1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167970961 1022384844 /nfs/dbraw/zinc/38/48/44/1022384844.db2.gz QWPUYIVZQHMDJB-PHHCVGHBSA-N 2 1 342.483 3.529 20 0 EHADMP Cc1ccc(N2CCC([NH2+]C[C@@H](C)c3ccc(F)cc3)CC2)[nH+]c1 ZINC000438193042 1022463724 /nfs/dbraw/zinc/46/37/24/1022463724.db2.gz VFJQQAGUFBUGHQ-MRXNPFEDSA-N 2 1 327.447 3.891 20 0 EHADMP c1ccc2nc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ccc2c1 ZINC001167972825 1022465518 /nfs/dbraw/zinc/46/55/18/1022465518.db2.gz CGLJTSSVBIOPFB-SEJPIABJSA-N 2 1 335.495 3.772 20 0 EHADMP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973179 1022520064 /nfs/dbraw/zinc/52/00/64/1022520064.db2.gz GRRZEIOHJGJRIN-VXKWHMMOSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973179 1022520071 /nfs/dbraw/zinc/52/00/71/1022520071.db2.gz GRRZEIOHJGJRIN-VXKWHMMOSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425973179 1022520087 /nfs/dbraw/zinc/52/00/87/1022520087.db2.gz GRRZEIOHJGJRIN-VXKWHMMOSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425973179 1022520100 /nfs/dbraw/zinc/52/01/00/1022520100.db2.gz GRRZEIOHJGJRIN-VXKWHMMOSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430723663 1022632300 /nfs/dbraw/zinc/63/23/00/1022632300.db2.gz SRMMZWOABGHGER-YJLNNSPDSA-N 2 1 330.520 3.867 20 0 EHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000414934797 1022777243 /nfs/dbraw/zinc/77/72/43/1022777243.db2.gz AKFQBCSMZHFAMB-UXRXYZNOSA-N 2 1 328.500 3.554 20 0 EHADMP Fc1ccc(F)c2c1CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981811 1022786500 /nfs/dbraw/zinc/78/65/00/1022786500.db2.gz LIDFBZNVNWFFCM-BWMCOSIFSA-N 2 1 332.438 3.947 20 0 EHADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981811 1022786509 /nfs/dbraw/zinc/78/65/09/1022786509.db2.gz LIDFBZNVNWFFCM-BWMCOSIFSA-N 2 1 332.438 3.947 20 0 EHADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981811 1022786522 /nfs/dbraw/zinc/78/65/22/1022786522.db2.gz LIDFBZNVNWFFCM-BWMCOSIFSA-N 2 1 332.438 3.947 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250158689 1022907313 /nfs/dbraw/zinc/90/73/13/1022907313.db2.gz FRWCQPTVBWFGQN-RAIGVLPGSA-N 2 1 329.307 3.521 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430961822 1022980841 /nfs/dbraw/zinc/98/08/41/1022980841.db2.gz OZYBPOZXXVIIDJ-GJZGRUSLSA-N 2 1 344.421 3.924 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414950356 1022985289 /nfs/dbraw/zinc/98/52/89/1022985289.db2.gz ONCOAKPIKZLYTM-QFBILLFUSA-N 2 1 340.467 3.504 20 0 EHADMP OC1([C@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664723774 1023081351 /nfs/dbraw/zinc/08/13/51/1023081351.db2.gz CXLSMUAENXCOCA-HXUWFJFHSA-N 2 1 328.500 3.552 20 0 EHADMP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CCC[NH+]1CCCC1)CO2 ZINC000518271326 1023181653 /nfs/dbraw/zinc/18/16/53/1023181653.db2.gz UZOXPAUPISELKZ-UHFFFAOYSA-N 2 1 341.282 3.845 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071519 1023206123 /nfs/dbraw/zinc/20/61/23/1023206123.db2.gz UXMNKSUIYCNHCR-NWDGAFQWSA-N 2 1 336.867 3.541 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071519 1023206127 /nfs/dbraw/zinc/20/61/27/1023206127.db2.gz UXMNKSUIYCNHCR-NWDGAFQWSA-N 2 1 336.867 3.541 20 0 EHADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427109303 1023222732 /nfs/dbraw/zinc/22/27/32/1023222732.db2.gz GMAWEZQHOVZEBS-RXVVDRJESA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427109303 1023222743 /nfs/dbraw/zinc/22/27/43/1023222743.db2.gz GMAWEZQHOVZEBS-RXVVDRJESA-N 2 1 340.442 3.589 20 0 EHADMP Brc1ccccc1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000212271971 1033117361 /nfs/dbraw/zinc/11/73/61/1033117361.db2.gz OEPBNYCTYCGCRU-AWEZNQCLSA-N 2 1 337.305 3.628 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000276894842 1023310923 /nfs/dbraw/zinc/31/09/23/1023310923.db2.gz IHIBYDJKAOFOAS-AWEZNQCLSA-N 2 1 344.421 3.509 20 0 EHADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cccc(Br)c1 ZINC000092253888 1023357921 /nfs/dbraw/zinc/35/79/21/1023357921.db2.gz AVARCEQBWVLJLU-HUUCEWRRSA-N 2 1 339.321 3.826 20 0 EHADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000092253888 1023357929 /nfs/dbraw/zinc/35/79/29/1023357929.db2.gz AVARCEQBWVLJLU-HUUCEWRRSA-N 2 1 339.321 3.826 20 0 EHADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000092253888 1023357935 /nfs/dbraw/zinc/35/79/35/1023357935.db2.gz AVARCEQBWVLJLU-HUUCEWRRSA-N 2 1 339.321 3.826 20 0 EHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000510928609 1023487905 /nfs/dbraw/zinc/48/79/05/1023487905.db2.gz KFNZZWWVKLZLTF-PWRODBHTSA-N 2 1 348.506 3.786 20 0 EHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000510928609 1023487907 /nfs/dbraw/zinc/48/79/07/1023487907.db2.gz KFNZZWWVKLZLTF-PWRODBHTSA-N 2 1 348.506 3.786 20 0 EHADMP COCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000449740105 1033139476 /nfs/dbraw/zinc/13/94/76/1033139476.db2.gz DYYXKASKSJBYSA-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000449740503 1033141923 /nfs/dbraw/zinc/14/19/23/1033141923.db2.gz GUTOHMWJGYRXTA-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000449740503 1033141930 /nfs/dbraw/zinc/14/19/30/1033141930.db2.gz GUTOHMWJGYRXTA-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000535815233 1023656233 /nfs/dbraw/zinc/65/62/33/1023656233.db2.gz MHSODDZZBHEEMT-UHFFFAOYSA-N 2 1 332.517 3.690 20 0 EHADMP C[C@@H]1CC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC12CCC2 ZINC000341911805 1023672218 /nfs/dbraw/zinc/67/22/18/1023672218.db2.gz VEHRYNDJLRDNAE-TZIWHRDSSA-N 2 1 342.527 3.790 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)(C)C(F)F)CC2)oc1C ZINC000657876595 1033153061 /nfs/dbraw/zinc/15/30/61/1033153061.db2.gz FYCNFGFYAKPAEQ-AWEZNQCLSA-N 2 1 343.462 3.773 20 0 EHADMP CCC(CC)(C[NH2+]CC1(OC)CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000277010778 1023698667 /nfs/dbraw/zinc/69/86/67/1023698667.db2.gz LJZYDEWJEQXTTH-GOSISDBHSA-N 2 1 348.531 3.681 20 0 EHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)c1OC ZINC000342077788 1023873519 /nfs/dbraw/zinc/87/35/19/1023873519.db2.gz DRKAIHKKLOXOKJ-INIZCTEOSA-N 2 1 334.504 3.614 20 0 EHADMP COC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168018080 1023955399 /nfs/dbraw/zinc/95/53/99/1023955399.db2.gz YSQDDOHOAPOEBI-WSRBVESVSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@@H](NCC[C@@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019792 1024005386 /nfs/dbraw/zinc/00/53/86/1024005386.db2.gz KBSDMBDWPHTPAP-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168019792 1024005401 /nfs/dbraw/zinc/00/54/01/1024005401.db2.gz KBSDMBDWPHTPAP-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168019792 1024005418 /nfs/dbraw/zinc/00/54/18/1024005418.db2.gz KBSDMBDWPHTPAP-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000647990186 1024039923 /nfs/dbraw/zinc/03/99/23/1024039923.db2.gz BZIJMTKYLXTERI-QGZVFWFLSA-N 2 1 347.572 3.981 20 0 EHADMP C[C@@H]1CN(c2ccnc3cc(Br)ccc32)[C@@H](C)C[N@H+]1C ZINC000443509111 1024068497 /nfs/dbraw/zinc/06/84/97/1024068497.db2.gz JVYZIACAAXVBGO-NEPJUHHUSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)[C@@H](C)C[N@@H+]1C ZINC000443509111 1024068518 /nfs/dbraw/zinc/06/85/18/1024068518.db2.gz JVYZIACAAXVBGO-NEPJUHHUSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)[C@@H](C)C[N@H+]1C ZINC000443509111 1024068534 /nfs/dbraw/zinc/06/85/34/1024068534.db2.gz JVYZIACAAXVBGO-NEPJUHHUSA-N 2 1 334.261 3.526 20 0 EHADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236715551 1024080126 /nfs/dbraw/zinc/08/01/26/1024080126.db2.gz JYKGVDLGQMAXLO-MRXNPFEDSA-N 2 1 331.504 3.765 20 0 EHADMP c1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCS2 ZINC001168003608 1024123252 /nfs/dbraw/zinc/12/32/52/1024123252.db2.gz PQZJAPOOKZLWAB-DFNIBXOVSA-N 2 1 328.525 4.000 20 0 EHADMP c1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCS2 ZINC001168003608 1024123260 /nfs/dbraw/zinc/12/32/60/1024123260.db2.gz PQZJAPOOKZLWAB-DFNIBXOVSA-N 2 1 328.525 4.000 20 0 EHADMP c1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CCS2 ZINC001168003608 1024123268 /nfs/dbraw/zinc/12/32/68/1024123268.db2.gz PQZJAPOOKZLWAB-DFNIBXOVSA-N 2 1 328.525 4.000 20 0 EHADMP c1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CCS2 ZINC001168003608 1024123271 /nfs/dbraw/zinc/12/32/71/1024123271.db2.gz PQZJAPOOKZLWAB-DFNIBXOVSA-N 2 1 328.525 4.000 20 0 EHADMP COc1cccc(Cl)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000514114364 1024147541 /nfs/dbraw/zinc/14/75/41/1024147541.db2.gz FWMICRFYXPVJCW-KSSFIOAISA-N 2 1 334.891 3.797 20 0 EHADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000895293832 1024236520 /nfs/dbraw/zinc/23/65/20/1024236520.db2.gz ROTROSMSXFNKIJ-LBPRGKRZSA-N 2 1 340.393 3.525 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3CCCO[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048193 1024360396 /nfs/dbraw/zinc/36/03/96/1024360396.db2.gz UMEBHYDLFZKOEE-ITEKTMBMSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCCO[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048193 1024360412 /nfs/dbraw/zinc/36/04/12/1024360412.db2.gz UMEBHYDLFZKOEE-ITEKTMBMSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CCCO[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048193 1024360428 /nfs/dbraw/zinc/36/04/28/1024360428.db2.gz UMEBHYDLFZKOEE-ITEKTMBMSA-N 2 1 342.527 3.929 20 0 EHADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518977184 1024388248 /nfs/dbraw/zinc/38/82/48/1024388248.db2.gz CGEIACUFAXCSCZ-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518977184 1024388261 /nfs/dbraw/zinc/38/82/61/1024388261.db2.gz CGEIACUFAXCSCZ-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP CCn1nc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000472047059 1024474395 /nfs/dbraw/zinc/47/43/95/1024474395.db2.gz DICAYCDMMLRIHE-QGZVFWFLSA-N 2 1 328.504 3.800 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028515 1024505181 /nfs/dbraw/zinc/50/51/81/1024505181.db2.gz OTNHYSAUKIVPRF-ZVXZJYCBSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635795 1024624907 /nfs/dbraw/zinc/62/49/07/1024624907.db2.gz ZGOOUBSCGIUTFP-ZFWWWQNUSA-N 2 1 332.875 3.599 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635795 1024624913 /nfs/dbraw/zinc/62/49/13/1024624913.db2.gz ZGOOUBSCGIUTFP-ZFWWWQNUSA-N 2 1 332.875 3.599 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657292359 1024652415 /nfs/dbraw/zinc/65/24/15/1024652415.db2.gz ISBBPQCJOQDVKA-UHFFFAOYSA-N 2 1 340.309 3.551 20 0 EHADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)Cc2ccccc2)cc1 ZINC000346331069 1024655381 /nfs/dbraw/zinc/65/53/81/1024655381.db2.gz TUEGUWVQWFOPHX-UHFFFAOYSA-N 2 1 335.451 3.903 20 0 EHADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)Cc2ccccc2)cc1 ZINC000346331069 1024655386 /nfs/dbraw/zinc/65/53/86/1024655386.db2.gz TUEGUWVQWFOPHX-UHFFFAOYSA-N 2 1 335.451 3.903 20 0 EHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281138628 1024690499 /nfs/dbraw/zinc/69/04/99/1024690499.db2.gz ABDFPDDLPBPKLB-LBPRGKRZSA-N 2 1 325.884 3.507 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000665232745 1024690829 /nfs/dbraw/zinc/69/08/29/1024690829.db2.gz SQYSQYLYOICZGB-BAGYTPMASA-N 2 1 335.495 3.659 20 0 EHADMP Fc1ccc(/C=C\C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435374145 1024841794 /nfs/dbraw/zinc/84/17/94/1024841794.db2.gz WLIJMVDIWCQMLS-NYPGBQQYSA-N 2 1 339.458 3.878 20 0 EHADMP Fc1ccc(/C=C\C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435374145 1024841813 /nfs/dbraw/zinc/84/18/13/1024841813.db2.gz WLIJMVDIWCQMLS-NYPGBQQYSA-N 2 1 339.458 3.878 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435376365 1024842158 /nfs/dbraw/zinc/84/21/58/1024842158.db2.gz ZGQOVXXXVHNHIP-MAUKXSAKSA-N 2 1 328.431 3.574 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000435382439 1024866325 /nfs/dbraw/zinc/86/63/25/1024866325.db2.gz ZUOMVJQYKCEFEW-QGZVFWFLSA-N 2 1 326.440 3.529 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000435382439 1024866330 /nfs/dbraw/zinc/86/63/30/1024866330.db2.gz ZUOMVJQYKCEFEW-QGZVFWFLSA-N 2 1 326.440 3.529 20 0 EHADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000435386291 1024868163 /nfs/dbraw/zinc/86/81/63/1024868163.db2.gz UBUQMFNVDYOGGL-RHSMWYFYSA-N 2 1 345.512 3.590 20 0 EHADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428039244 1024943170 /nfs/dbraw/zinc/94/31/70/1024943170.db2.gz CTOZPTDBZNGOHE-WMLDXEAASA-N 2 1 342.405 3.548 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657311951 1024993245 /nfs/dbraw/zinc/99/32/45/1024993245.db2.gz AARGGIDJINETHO-QZTJIDSGSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000657311951 1024993251 /nfs/dbraw/zinc/99/32/51/1024993251.db2.gz AARGGIDJINETHO-QZTJIDSGSA-N 2 1 327.497 3.835 20 0 EHADMP C[NH+](C)CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000151936896 1025007052 /nfs/dbraw/zinc/00/70/52/1025007052.db2.gz WBLPFIBSXVTCSG-ZDUSSCGKSA-N 2 1 329.307 3.527 20 0 EHADMP c1ccc(SCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435623039 1025039320 /nfs/dbraw/zinc/03/93/20/1025039320.db2.gz BLJBIMHFXONDJW-IBGZPJMESA-N 2 1 341.524 3.818 20 0 EHADMP c1ccc(SCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435623039 1025039335 /nfs/dbraw/zinc/03/93/35/1025039335.db2.gz BLJBIMHFXONDJW-IBGZPJMESA-N 2 1 341.524 3.818 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(CC(F)(F)F)s1 ZINC000896026507 1025091487 /nfs/dbraw/zinc/09/14/87/1025091487.db2.gz AVVHHYPOLHRWGM-UHFFFAOYSA-N 2 1 349.466 3.946 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443978531 1025137040 /nfs/dbraw/zinc/13/70/40/1025137040.db2.gz LRGYSLCEXGSGRN-UHFFFAOYSA-N 2 1 325.387 3.913 20 0 EHADMP C[C@@H]1CC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168013494 1025194509 /nfs/dbraw/zinc/19/45/09/1025194509.db2.gz HVOSUPXYQSYFAJ-YHXSNJQLSA-N 2 1 341.543 3.643 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382906 1025209744 /nfs/dbraw/zinc/20/97/44/1025209744.db2.gz FYBUXNCZJZKDCO-NHCUHLMSSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382906 1025209751 /nfs/dbraw/zinc/20/97/51/1025209751.db2.gz FYBUXNCZJZKDCO-NHCUHLMSSA-N 2 1 344.543 3.818 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000474627130 1025241278 /nfs/dbraw/zinc/24/12/78/1025241278.db2.gz NJIQMHHMZBZWHS-ZRZPHAQCSA-N 2 1 338.536 3.599 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000474627130 1025241290 /nfs/dbraw/zinc/24/12/90/1025241290.db2.gz NJIQMHHMZBZWHS-ZRZPHAQCSA-N 2 1 338.536 3.599 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000116396420 1025268575 /nfs/dbraw/zinc/26/85/75/1025268575.db2.gz ZMOSDOLIBKUWBF-WMZOPIPTSA-N 2 1 333.520 3.586 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001168040369 1025316477 /nfs/dbraw/zinc/31/64/77/1025316477.db2.gz LUAOHKBFLPEEDG-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001168040369 1025316487 /nfs/dbraw/zinc/31/64/87/1025316487.db2.gz LUAOHKBFLPEEDG-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001168040369 1025316493 /nfs/dbraw/zinc/31/64/93/1025316493.db2.gz LUAOHKBFLPEEDG-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001168040369 1025316499 /nfs/dbraw/zinc/31/64/99/1025316499.db2.gz LUAOHKBFLPEEDG-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000453313230 1025338470 /nfs/dbraw/zinc/33/84/70/1025338470.db2.gz HWXYRGKOWXFIPU-YSIASYRMSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000453313230 1025338483 /nfs/dbraw/zinc/33/84/83/1025338483.db2.gz HWXYRGKOWXFIPU-YSIASYRMSA-N 2 1 328.500 3.761 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925132722 1025353592 /nfs/dbraw/zinc/35/35/92/1025353592.db2.gz BHSBRZXQJNDWQI-VUHPKUFZSA-N 2 1 336.545 3.782 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925132722 1025353607 /nfs/dbraw/zinc/35/36/07/1025353607.db2.gz BHSBRZXQJNDWQI-VUHPKUFZSA-N 2 1 336.545 3.782 20 0 EHADMP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@@H](C)S1 ZINC000515588946 1025379580 /nfs/dbraw/zinc/37/95/80/1025379580.db2.gz MVNCQWQTVZJHDT-VQHPVUNQSA-N 2 1 330.607 3.808 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442635219 1025393258 /nfs/dbraw/zinc/39/32/58/1025393258.db2.gz IURLQLJQALCLOD-SFHVURJKSA-N 2 1 333.479 3.747 20 0 EHADMP C[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001168041301 1025402390 /nfs/dbraw/zinc/40/23/90/1025402390.db2.gz RUJNQWYARNFVGF-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@]1(C)O ZINC001168041301 1025402396 /nfs/dbraw/zinc/40/23/96/1025402396.db2.gz RUJNQWYARNFVGF-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474037406 1025428015 /nfs/dbraw/zinc/42/80/15/1025428015.db2.gz QOLGJFYTHRIFSZ-XHSDSOJGSA-N 2 1 332.479 3.679 20 0 EHADMP Clc1cc2c(c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c1)OCC2 ZINC000582143885 1025443832 /nfs/dbraw/zinc/44/38/32/1025443832.db2.gz NQEDGAQZMIYXHZ-UHFFFAOYSA-N 2 1 334.891 3.583 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000442773094 1025465784 /nfs/dbraw/zinc/46/57/84/1025465784.db2.gz WJNCSFRVSNLIGT-KGLIPLIRSA-N 2 1 330.394 3.534 20 0 EHADMP C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769209 1025479530 /nfs/dbraw/zinc/47/95/30/1025479530.db2.gz VAFYWGSEXBXQSV-XYPWUTKMSA-N 2 1 342.405 3.689 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](F)(CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041841 1025490597 /nfs/dbraw/zinc/49/05/97/1025490597.db2.gz WJMMVUAWAMKNGC-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041841 1025490606 /nfs/dbraw/zinc/49/06/06/1025490606.db2.gz WJMMVUAWAMKNGC-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041841 1025490617 /nfs/dbraw/zinc/49/06/17/1025490617.db2.gz WJMMVUAWAMKNGC-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000530224696 1025500397 /nfs/dbraw/zinc/50/03/97/1025500397.db2.gz WOTOOMJGQBMEDH-SZNDQCEHSA-N 2 1 339.458 3.706 20 0 EHADMP Clc1cc(Cl)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248539 1025519073 /nfs/dbraw/zinc/51/90/73/1025519073.db2.gz LXESKYRAGODIAQ-KRWDZBQOSA-N 2 1 343.298 3.584 20 0 EHADMP Clc1ccc2c(NC[C@H]3CC[N@@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896517339 1025528348 /nfs/dbraw/zinc/52/83/48/1025528348.db2.gz WZVRBBFJHYLMKA-OAHLLOKOSA-N 2 1 331.847 3.553 20 0 EHADMP Clc1ccc2c(NC[C@H]3CC[N@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896517339 1025528356 /nfs/dbraw/zinc/52/83/56/1025528356.db2.gz WZVRBBFJHYLMKA-OAHLLOKOSA-N 2 1 331.847 3.553 20 0 EHADMP Fc1cccc2[nH]c(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cc21 ZINC000436281727 1025528519 /nfs/dbraw/zinc/52/85/19/1025528519.db2.gz OXEGULVPAMOUNH-UHFFFAOYSA-N 2 1 337.442 3.845 20 0 EHADMP Fc1cccc2[nH]c(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cc21 ZINC000436281727 1025528530 /nfs/dbraw/zinc/52/85/30/1025528530.db2.gz OXEGULVPAMOUNH-UHFFFAOYSA-N 2 1 337.442 3.845 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436284242 1025530725 /nfs/dbraw/zinc/53/07/25/1025530725.db2.gz XWSZONBZLDENGX-GASCZTMLSA-N 2 1 332.517 3.596 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436284242 1025530737 /nfs/dbraw/zinc/53/07/37/1025530737.db2.gz XWSZONBZLDENGX-GASCZTMLSA-N 2 1 332.517 3.596 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1(C)C ZINC000442870793 1025542489 /nfs/dbraw/zinc/54/24/89/1025542489.db2.gz AANXSOIUWQOYIF-LJQANCHMSA-N 2 1 349.538 3.919 20 0 EHADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442871042 1025542997 /nfs/dbraw/zinc/54/29/97/1025542997.db2.gz AVYQOXDMVGHHIN-GOSISDBHSA-N 2 1 337.939 3.653 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000436300621 1025564006 /nfs/dbraw/zinc/56/40/06/1025564006.db2.gz KGAPXNOICPHMJA-VMXMFDLUSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@@]3(CCCO3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168043791 1025732942 /nfs/dbraw/zinc/73/29/42/1025732942.db2.gz CZYGNVCYMMJZKG-OPYAIIAOSA-N 2 1 328.500 3.683 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000474880684 1025733602 /nfs/dbraw/zinc/73/36/02/1025733602.db2.gz PMWLIUOAURQVGL-LJQANCHMSA-N 2 1 340.515 3.638 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000474880684 1025733618 /nfs/dbraw/zinc/73/36/18/1025733618.db2.gz PMWLIUOAURQVGL-LJQANCHMSA-N 2 1 340.515 3.638 20 0 EHADMP Cc1nc(-c2cc([C@H](C)[NH2+]CCc3c[nH+]cn3C)cs2)cs1 ZINC000530460307 1025871420 /nfs/dbraw/zinc/87/14/20/1025871420.db2.gz JUKIGMABJCWFHU-NSHDSACASA-N 2 1 332.498 3.807 20 0 EHADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530460140 1025872589 /nfs/dbraw/zinc/87/25/89/1025872589.db2.gz HWUQHSRTXRGYJA-NWDGAFQWSA-N 2 1 342.270 3.715 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000522044976 1025915171 /nfs/dbraw/zinc/91/51/71/1025915171.db2.gz VSCSLZJFFFCDTA-UHFFFAOYSA-N 2 1 334.507 3.964 20 0 EHADMP FC(F)(F)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000530625963 1026151295 /nfs/dbraw/zinc/15/12/95/1026151295.db2.gz WUEVRNLVFKYARN-QGZVFWFLSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000530625963 1026151303 /nfs/dbraw/zinc/15/13/03/1026151303.db2.gz WUEVRNLVFKYARN-QGZVFWFLSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530625963 1026151304 /nfs/dbraw/zinc/15/13/04/1026151304.db2.gz WUEVRNLVFKYARN-QGZVFWFLSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000530625963 1026151313 /nfs/dbraw/zinc/15/13/13/1026151313.db2.gz WUEVRNLVFKYARN-QGZVFWFLSA-N 2 1 326.406 3.927 20 0 EHADMP C[C@@H]1CC([N@@H+](C)CCc2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058090 1026318606 /nfs/dbraw/zinc/31/86/06/1026318606.db2.gz AVMPKTMNMCOAFL-RTBURBONSA-N 2 1 337.511 3.998 20 0 EHADMP CC[N@H+](CCn1ccnc1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060239 1026416157 /nfs/dbraw/zinc/41/61/57/1026416157.db2.gz VZOOPNWYJYXYLU-OALUTQOASA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@@H+](CCn1ccnc1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060239 1026416164 /nfs/dbraw/zinc/41/61/64/1026416164.db2.gz VZOOPNWYJYXYLU-OALUTQOASA-N 2 1 340.515 3.647 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(SC(F)F)cc2)CCCO1 ZINC000277661645 1026480332 /nfs/dbraw/zinc/48/03/32/1026480332.db2.gz FNGFFPMXEULOGK-AWEZNQCLSA-N 2 1 344.471 3.592 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122620 1026491844 /nfs/dbraw/zinc/49/18/44/1026491844.db2.gz VFYQKNSVGRKVEY-KRWDZBQOSA-N 2 1 349.485 3.598 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000325057944 1026541106 /nfs/dbraw/zinc/54/11/06/1026541106.db2.gz RXUBDPYQBANIAB-ZTFGCOKTSA-N 2 1 338.442 3.826 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000325057944 1026541117 /nfs/dbraw/zinc/54/11/17/1026541117.db2.gz RXUBDPYQBANIAB-ZTFGCOKTSA-N 2 1 338.442 3.826 20 0 EHADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931758 1026640105 /nfs/dbraw/zinc/64/01/05/1026640105.db2.gz FPEXPRZMELKHAD-GOSISDBHSA-N 2 1 347.462 3.552 20 0 EHADMP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c2cc(Br)ccc21 ZINC000301310748 1026757569 /nfs/dbraw/zinc/75/75/69/1026757569.db2.gz FEWCEVYGFFQROV-UHFFFAOYSA-N 2 1 348.288 3.775 20 0 EHADMP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301469338 1026817311 /nfs/dbraw/zinc/81/73/11/1026817311.db2.gz NVPRTODOOGGCPU-CQSZACIVSA-N 2 1 348.288 3.918 20 0 EHADMP COc1ccccc1[C@@H](CNc1cc[nH+]cc1Cl)[NH+]1CCCC1 ZINC000301604501 1026870165 /nfs/dbraw/zinc/87/01/65/1026870165.db2.gz XPKLREKDJJCBDM-QGZVFWFLSA-N 2 1 331.847 3.993 20 0 EHADMP Cc1cc[nH+]c(N2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)c1 ZINC000301717147 1026914374 /nfs/dbraw/zinc/91/43/74/1026914374.db2.gz NUZJHXJLECNRCK-UHFFFAOYSA-N 2 1 336.414 3.712 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000657526631 1026973797 /nfs/dbraw/zinc/97/37/97/1026973797.db2.gz JUXFJZQLEVBSKV-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526631 1026973803 /nfs/dbraw/zinc/97/38/03/1026973803.db2.gz JUXFJZQLEVBSKV-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526631 1026973807 /nfs/dbraw/zinc/97/38/07/1026973807.db2.gz JUXFJZQLEVBSKV-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001167602826 1027008848 /nfs/dbraw/zinc/00/88/48/1027008848.db2.gz QMNCXQPERHZURT-INIZCTEOSA-N 2 1 345.314 3.926 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001167602826 1027008857 /nfs/dbraw/zinc/00/88/57/1027008857.db2.gz QMNCXQPERHZURT-INIZCTEOSA-N 2 1 345.314 3.926 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc(C)n1 ZINC000302059652 1027038380 /nfs/dbraw/zinc/03/83/80/1027038380.db2.gz BFSJYPWTVIJKNZ-KBXCAEBGSA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059652 1027038381 /nfs/dbraw/zinc/03/83/81/1027038381.db2.gz BFSJYPWTVIJKNZ-KBXCAEBGSA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059652 1027038390 /nfs/dbraw/zinc/03/83/90/1027038390.db2.gz BFSJYPWTVIJKNZ-KBXCAEBGSA-N 2 1 330.501 3.904 20 0 EHADMP Cc1ccc2[nH+]ccc(NCCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302158576 1027074221 /nfs/dbraw/zinc/07/42/21/1027074221.db2.gz NWULGOTYKCMNSB-CALCHBBNSA-N 2 1 327.472 3.845 20 0 EHADMP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c2cc(Br)ccc21 ZINC000302231987 1027100220 /nfs/dbraw/zinc/10/02/20/1027100220.db2.gz CIARQNHZJBNMJY-UHFFFAOYSA-N 2 1 334.261 3.528 20 0 EHADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c2cc(Br)ccc21 ZINC000302231987 1027100232 /nfs/dbraw/zinc/10/02/32/1027100232.db2.gz CIARQNHZJBNMJY-UHFFFAOYSA-N 2 1 334.261 3.528 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272765285 1027101320 /nfs/dbraw/zinc/10/13/20/1027101320.db2.gz LYONJRCRZLDMRY-GQIGUUNPSA-N 2 1 341.499 3.895 20 0 EHADMP COCc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000582730522 1027197960 /nfs/dbraw/zinc/19/79/60/1027197960.db2.gz ZBHHNJOWKSNCEB-PZJWPPBQSA-N 2 1 342.458 3.897 20 0 EHADMP COCc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000582730522 1027197965 /nfs/dbraw/zinc/19/79/65/1027197965.db2.gz ZBHHNJOWKSNCEB-PZJWPPBQSA-N 2 1 342.458 3.897 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000453062393 1027313209 /nfs/dbraw/zinc/31/32/09/1027313209.db2.gz MKIDIBQYSBLGSG-UMGGQSCQSA-N 2 1 348.918 3.647 20 0 EHADMP c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453091157 1027351921 /nfs/dbraw/zinc/35/19/21/1027351921.db2.gz QQZNTJDHNBLPFP-GBESFXJTSA-N 2 1 341.524 3.718 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000453101957 1027364322 /nfs/dbraw/zinc/36/43/22/1027364322.db2.gz ZTWKDNQOGYRYSV-XPGWFJOJSA-N 2 1 348.918 3.504 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453100996 1027364762 /nfs/dbraw/zinc/36/47/62/1027364762.db2.gz XRPSQUKNKRVKLE-KRWDZBQOSA-N 2 1 337.305 3.900 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000453106653 1027376614 /nfs/dbraw/zinc/37/66/14/1027376614.db2.gz ZCDIEDATVNWQHK-ICSRJNTNSA-N 2 1 349.950 3.593 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(-c2ccccc2)nn1C ZINC000453124177 1027403207 /nfs/dbraw/zinc/40/32/07/1027403207.db2.gz GARUGMJDPHNRFK-JQHSSLGASA-N 2 1 326.488 3.611 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C12CCC2 ZINC000453131658 1027435715 /nfs/dbraw/zinc/43/57/15/1027435715.db2.gz PIPLLWUOMJIJPK-GDIGMMSISA-N 2 1 325.456 3.789 20 0 EHADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000453131772 1027436252 /nfs/dbraw/zinc/43/62/52/1027436252.db2.gz TUOBLLBJRUVHEA-DBVUQKKJSA-N 2 1 344.524 3.590 20 0 EHADMP Cc1cc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000453131772 1027436260 /nfs/dbraw/zinc/43/62/60/1027436260.db2.gz TUOBLLBJRUVHEA-DBVUQKKJSA-N 2 1 344.524 3.590 20 0 EHADMP Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313710 1027460932 /nfs/dbraw/zinc/46/09/32/1027460932.db2.gz JIJSMHGAXRQLEB-BEFAXECRSA-N 2 1 342.462 3.742 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420345017 1027476000 /nfs/dbraw/zinc/47/60/00/1027476000.db2.gz VOMAXMKKTZHESV-JKSUJKDBSA-N 2 1 345.874 3.817 20 0 EHADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420328292 1027479496 /nfs/dbraw/zinc/47/94/96/1027479496.db2.gz ZCESDPWZJADMNY-GJZGRUSLSA-N 2 1 344.421 3.714 20 0 EHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334932 1027482002 /nfs/dbraw/zinc/48/20/02/1027482002.db2.gz UOPUJXAKSPRMJT-GXTWGEPZSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334932 1027482018 /nfs/dbraw/zinc/48/20/18/1027482018.db2.gz UOPUJXAKSPRMJT-GXTWGEPZSA-N 2 1 343.298 3.742 20 0 EHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C1 ZINC000420381453 1027502272 /nfs/dbraw/zinc/50/22/72/1027502272.db2.gz CRJNDJMIWSSFEP-AEFFLSMTSA-N 2 1 349.544 3.519 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420405569 1027525952 /nfs/dbraw/zinc/52/59/52/1027525952.db2.gz TXHXHDIRTIDHJE-QUCCMNQESA-N 2 1 328.500 3.778 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000501787359 1027533452 /nfs/dbraw/zinc/53/34/52/1027533452.db2.gz WIPMLTSEULENRY-KRWDZBQOSA-N 2 1 336.495 3.957 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656622 1027720377 /nfs/dbraw/zinc/72/03/77/1027720377.db2.gz IXJBCZOKRGPSLQ-QFBILLFUSA-N 2 1 340.515 3.647 20 0 EHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656622 1027720396 /nfs/dbraw/zinc/72/03/96/1027720396.db2.gz IXJBCZOKRGPSLQ-QFBILLFUSA-N 2 1 340.515 3.647 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656447 1027721682 /nfs/dbraw/zinc/72/16/82/1027721682.db2.gz FTOOBZIHJKWFRG-HIFRSBDPSA-N 2 1 332.394 3.926 20 0 EHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414656015 1027726162 /nfs/dbraw/zinc/72/61/62/1027726162.db2.gz FBCVGQSUNHKHOI-HOTGVXAUSA-N 2 1 340.467 3.540 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000342863728 1027736635 /nfs/dbraw/zinc/73/66/35/1027736635.db2.gz JEROGCGJSPICTC-UHFFFAOYSA-N 2 1 333.863 3.531 20 0 EHADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000339065357 1027890491 /nfs/dbraw/zinc/89/04/91/1027890491.db2.gz AGMGJSRWNCEAKF-YADHBBJMSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000339065357 1027890506 /nfs/dbraw/zinc/89/05/06/1027890506.db2.gz AGMGJSRWNCEAKF-YADHBBJMSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000339065357 1027890523 /nfs/dbraw/zinc/89/05/23/1027890523.db2.gz AGMGJSRWNCEAKF-YADHBBJMSA-N 2 1 341.543 3.779 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069409 1027898999 /nfs/dbraw/zinc/89/89/99/1027898999.db2.gz VEKKRWQSUXGSKB-COPCDDAFSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069409 1027899012 /nfs/dbraw/zinc/89/90/12/1027899012.db2.gz VEKKRWQSUXGSKB-COPCDDAFSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069409 1027899032 /nfs/dbraw/zinc/89/90/32/1027899032.db2.gz VEKKRWQSUXGSKB-COPCDDAFSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069409 1027899054 /nfs/dbraw/zinc/89/90/54/1027899054.db2.gz VEKKRWQSUXGSKB-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069409 1027899067 /nfs/dbraw/zinc/89/90/67/1027899067.db2.gz VEKKRWQSUXGSKB-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069409 1027899086 /nfs/dbraw/zinc/89/90/86/1027899086.db2.gz VEKKRWQSUXGSKB-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069409 1027899105 /nfs/dbraw/zinc/89/91/05/1027899105.db2.gz VEKKRWQSUXGSKB-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC1CCCC1 ZINC000339070183 1027900402 /nfs/dbraw/zinc/90/04/02/1027900402.db2.gz XLGDGCZQHGIUBG-ROUUACIJSA-N 2 1 344.499 3.733 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC1CCCC1 ZINC000339070183 1027900421 /nfs/dbraw/zinc/90/04/21/1027900421.db2.gz XLGDGCZQHGIUBG-ROUUACIJSA-N 2 1 344.499 3.733 20 0 EHADMP C[C@H](NC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCCC1)c1ccccc1 ZINC000422760341 1027901815 /nfs/dbraw/zinc/90/18/15/1027901815.db2.gz KWNNWCVRRZQWFZ-WSTZPKSXSA-N 2 1 329.532 3.628 20 0 EHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c2ccccc12 ZINC000420955799 1027922400 /nfs/dbraw/zinc/92/24/00/1027922400.db2.gz YDHKSKRKJLZVII-UHFFFAOYSA-N 2 1 345.918 3.563 20 0 EHADMP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422789204 1027941160 /nfs/dbraw/zinc/94/11/60/1027941160.db2.gz BJULUFFGOPCPRB-QLFBSQMISA-N 2 1 328.378 3.596 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCc3ccccc3)CC2)CC1 ZINC000420973355 1027954768 /nfs/dbraw/zinc/95/47/68/1027954768.db2.gz CBDRYLLDMWXNMF-UHFFFAOYSA-N 2 1 343.559 3.501 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000422808061 1027956032 /nfs/dbraw/zinc/95/60/32/1027956032.db2.gz PZTXFGHAQKNRHD-MRFFXTKBSA-N 2 1 335.451 3.831 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000422808060 1027957680 /nfs/dbraw/zinc/95/76/80/1027957680.db2.gz PZTXFGHAQKNRHD-CJMONDIMSA-N 2 1 335.451 3.831 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862047 1027996682 /nfs/dbraw/zinc/99/66/82/1027996682.db2.gz NHFDURAHNAEREB-INDMIFKZSA-N 2 1 335.561 3.641 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888585 1028022778 /nfs/dbraw/zinc/02/27/78/1028022778.db2.gz DATZSCPBLOWVRP-MRTDBNBISA-N 2 1 341.543 3.537 20 0 EHADMP C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)c1c[nH+]ccc1N ZINC000422907987 1028039001 /nfs/dbraw/zinc/03/90/01/1028039001.db2.gz COJQADULWQIHCW-CYBMUJFWSA-N 2 1 330.501 3.892 20 0 EHADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000502286327 1028062554 /nfs/dbraw/zinc/06/25/54/1028062554.db2.gz LFZHLMJNRRIKGZ-WOJBJXKFSA-N 2 1 334.548 3.970 20 0 EHADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000502286325 1028062848 /nfs/dbraw/zinc/06/28/48/1028062848.db2.gz LFZHLMJNRRIKGZ-VQTJNVASSA-N 2 1 334.548 3.970 20 0 EHADMP c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)oc1-c1ccccc1 ZINC000051907731 1028063323 /nfs/dbraw/zinc/06/33/23/1028063323.db2.gz KIAOKISKLGXNFB-UHFFFAOYSA-N 2 1 325.456 3.649 20 0 EHADMP FC(F)Oc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422938961 1028068525 /nfs/dbraw/zinc/06/85/25/1028068525.db2.gz FGYQVEOZTLAODE-AEFFLSMTSA-N 2 1 332.394 3.871 20 0 EHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)s1 ZINC000422941212 1028070031 /nfs/dbraw/zinc/07/00/31/1028070031.db2.gz OIRGWBJDMLVFCH-RISCZKNCSA-N 2 1 339.302 3.559 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423084948 1028171392 /nfs/dbraw/zinc/17/13/92/1028171392.db2.gz JEGDQCWWRHYWQK-JWFWCLOMSA-N 2 1 346.515 3.673 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000502458260 1028235542 /nfs/dbraw/zinc/23/55/42/1028235542.db2.gz BOFFPFACMLSNIZ-XRYRHKQGSA-N 2 1 344.543 3.938 20 0 EHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192219 1028261049 /nfs/dbraw/zinc/26/10/49/1028261049.db2.gz UTTXNSABMIZDBV-HXUWFJFHSA-N 2 1 329.463 3.557 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000414724578 1028290386 /nfs/dbraw/zinc/29/03/86/1028290386.db2.gz JZHZEYSCQSSMIR-NEWSRXKRSA-N 2 1 341.524 3.667 20 0 EHADMP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000423231526 1028295908 /nfs/dbraw/zinc/29/59/08/1028295908.db2.gz LLTRVLUKULXKOT-QKQBLWMGSA-N 3 1 341.543 3.537 20 0 EHADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC(F)F ZINC000423267944 1028331742 /nfs/dbraw/zinc/33/17/42/1028331742.db2.gz UFWTUMFCPNCLMM-DOMZBBRYSA-N 2 1 342.430 3.855 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)s2)cc1 ZINC000423313151 1028346730 /nfs/dbraw/zinc/34/67/30/1028346730.db2.gz FFBXSBOPHNEAPR-BDJLRTHQSA-N 2 1 331.485 3.515 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423320996 1028351169 /nfs/dbraw/zinc/35/11/69/1028351169.db2.gz FWAJXXLRLWTCFY-KUHUBIRLSA-N 2 1 346.906 3.874 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)CC1(C[NH3+])CC1)C1CCCCC1 ZINC000423302233 1028355591 /nfs/dbraw/zinc/35/55/91/1028355591.db2.gz VAVASOBLEKHVHG-UHFFFAOYSA-N 2 1 329.488 3.519 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423349321 1028379075 /nfs/dbraw/zinc/37/90/75/1028379075.db2.gz VNZPISSQCKMSTR-OXQOHEQNSA-N 2 1 325.456 3.914 20 0 EHADMP CSC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423356350 1028383048 /nfs/dbraw/zinc/38/30/48/1028383048.db2.gz GPHVTRVMGWSMSZ-CABCVRRESA-N 2 1 332.435 3.841 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2sc(Br)cc21)C1CCCC1 ZINC000423499981 1028466333 /nfs/dbraw/zinc/46/63/33/1028466333.db2.gz JYIRFZOHNIGVDB-NWDGAFQWSA-N 2 1 329.307 3.605 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)CCCO2 ZINC000246426233 1028482256 /nfs/dbraw/zinc/48/22/56/1028482256.db2.gz NPTNHKPSFWYECF-PXNSSMCTSA-N 2 1 346.515 3.867 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)CCCO2 ZINC000246426233 1028482260 /nfs/dbraw/zinc/48/22/60/1028482260.db2.gz NPTNHKPSFWYECF-PXNSSMCTSA-N 2 1 346.515 3.867 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423533469 1028487958 /nfs/dbraw/zinc/48/79/58/1028487958.db2.gz TZRJZYFTRGLZTI-IKIRDJBUSA-N 2 1 336.479 3.532 20 0 EHADMP Cc1nc(-c2ccc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)cc2)cs1 ZINC000459388335 1028538421 /nfs/dbraw/zinc/53/84/21/1028538421.db2.gz FKIITWRHYFXDFB-CYBMUJFWSA-N 2 1 326.469 3.745 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(F)cc(F)c3)CC2)nc(C)[nH+]1 ZINC000162275506 1028547722 /nfs/dbraw/zinc/54/77/22/1028547722.db2.gz OLIUIAFSKKNPQP-ZDUSSCGKSA-N 2 1 346.425 3.691 20 0 EHADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OCC(C)C ZINC000237190991 1028642185 /nfs/dbraw/zinc/64/21/85/1028642185.db2.gz HYJCRJXBBXCKRT-INIZCTEOSA-N 2 1 345.487 3.661 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000237351579 1028646578 /nfs/dbraw/zinc/64/65/78/1028646578.db2.gz ZNSSZVGDKMOMQW-OXQOHEQNSA-N 2 1 329.488 3.532 20 0 EHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000523853720 1028661795 /nfs/dbraw/zinc/66/17/95/1028661795.db2.gz VKNFGWIHIHHLBG-CJNGLKHVSA-N 2 1 339.911 3.623 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000245461549 1028715027 /nfs/dbraw/zinc/71/50/27/1028715027.db2.gz NBNVZPKOUSZZLK-QLFBSQMISA-N 2 1 326.431 3.505 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2sc(C)nc2C)[C@H](C)C1 ZINC000247038950 1028733495 /nfs/dbraw/zinc/73/34/95/1028733495.db2.gz MPJVWNWGSZEDMP-UNEWFSDZSA-N 2 1 339.549 3.548 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768998 1028734952 /nfs/dbraw/zinc/73/49/52/1028734952.db2.gz MVVLNPJDTQAVJX-BGYRXZFFSA-N 2 1 336.479 3.794 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)C1 ZINC000247097030 1028744909 /nfs/dbraw/zinc/74/49/09/1028744909.db2.gz PUCZJWPBINRTJF-UKRRQHHQSA-N 2 1 330.501 3.506 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065824 1028843970 /nfs/dbraw/zinc/84/39/70/1028843970.db2.gz MDSKFQJEBOEWLE-YLJYHZDGSA-N 2 1 337.467 3.790 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065824 1028843989 /nfs/dbraw/zinc/84/39/89/1028843989.db2.gz MDSKFQJEBOEWLE-YLJYHZDGSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065824 1028844009 /nfs/dbraw/zinc/84/40/09/1028844009.db2.gz MDSKFQJEBOEWLE-YLJYHZDGSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065824 1028844030 /nfs/dbraw/zinc/84/40/30/1028844030.db2.gz MDSKFQJEBOEWLE-YLJYHZDGSA-N 2 1 337.467 3.790 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857577 1028849428 /nfs/dbraw/zinc/84/94/28/1028849428.db2.gz QBAPEPCULMQLLR-WBVHZDCISA-N 2 1 329.875 3.908 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857577 1028849438 /nfs/dbraw/zinc/84/94/38/1028849438.db2.gz QBAPEPCULMQLLR-WBVHZDCISA-N 2 1 329.875 3.908 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccs1 ZINC000248429697 1028899733 /nfs/dbraw/zinc/89/97/33/1028899733.db2.gz BHMMVJQSMYQGTA-QZTJIDSGSA-N 2 1 330.497 3.556 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248438304 1028904977 /nfs/dbraw/zinc/90/49/77/1028904977.db2.gz HUDSQKFMLDGCJW-KKSFZXQISA-N 2 1 342.458 3.633 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248456511 1028909355 /nfs/dbraw/zinc/90/93/55/1028909355.db2.gz SHWBLCZHTZYMCX-FCEWJHQRSA-N 2 1 343.515 3.949 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424290476 1028930259 /nfs/dbraw/zinc/93/02/59/1028930259.db2.gz MQOCZGURENGRRT-QGZVFWFLSA-N 2 1 343.515 3.521 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424289084 1028930918 /nfs/dbraw/zinc/93/09/18/1028930918.db2.gz LKNAKBQBSKKQFR-OAHLLOKOSA-N 2 1 327.497 3.774 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000424298309 1028938280 /nfs/dbraw/zinc/93/82/80/1028938280.db2.gz UJTVSFQLVAAMGO-AWEZNQCLSA-N 2 1 345.874 3.959 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)c(Br)c1)CC[NH2+]CC2 ZINC000424300531 1028942302 /nfs/dbraw/zinc/94/23/02/1028942302.db2.gz WPHQTCBLMGXCQY-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)C[C@H]2C1 ZINC000424270035 1028943550 /nfs/dbraw/zinc/94/35/50/1028943550.db2.gz NAINVJJJMMLSPJ-FRTGENFJSA-N 2 1 330.516 3.820 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000249039701 1028978343 /nfs/dbraw/zinc/97/83/43/1028978343.db2.gz UJYZFGNUOLOEJG-MVJPYGJCSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000249039701 1028978355 /nfs/dbraw/zinc/97/83/55/1028978355.db2.gz UJYZFGNUOLOEJG-MVJPYGJCSA-N 2 1 338.499 3.575 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)s2)cs1 ZINC000414785719 1029032468 /nfs/dbraw/zinc/03/24/68/1029032468.db2.gz TUTGPSWWYQQKBO-UONOGXRCSA-N 2 1 333.526 3.693 20 0 EHADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)sc1Br ZINC000424379776 1029036602 /nfs/dbraw/zinc/03/66/02/1029036602.db2.gz PCUVDLLGTZTGEH-GFCCVEGCSA-N 2 1 343.334 3.783 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414786799 1029042159 /nfs/dbraw/zinc/04/21/59/1029042159.db2.gz UWKUINVGWNZOQU-KBPBESRZSA-N 2 1 344.833 3.763 20 0 EHADMP OC1(C2(C[NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526315 1029046995 /nfs/dbraw/zinc/04/69/95/1029046995.db2.gz ZLTLZIBEVUPHHS-ICSRJNTNSA-N 2 1 340.511 3.639 20 0 EHADMP OC1(C2(C[NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526315 1029047010 /nfs/dbraw/zinc/04/70/10/1029047010.db2.gz ZLTLZIBEVUPHHS-ICSRJNTNSA-N 2 1 340.511 3.639 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271728140 1029142891 /nfs/dbraw/zinc/14/28/91/1029142891.db2.gz ORMQJQPMEFICMK-HNAYVOBHSA-N 2 1 341.455 3.517 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797958 1029147604 /nfs/dbraw/zinc/14/76/04/1029147604.db2.gz XADIMPHKCSGZCK-PBHICJAKSA-N 2 1 326.406 3.884 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1SC(F)F ZINC000271817213 1029186244 /nfs/dbraw/zinc/18/62/44/1029186244.db2.gz BUSJZPQNVYWTNV-GFCCVEGCSA-N 2 1 342.455 3.922 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000271876823 1029212612 /nfs/dbraw/zinc/21/26/12/1029212612.db2.gz OGTUMRDFGFBETM-SFHLNBCPSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000271898342 1029219234 /nfs/dbraw/zinc/21/92/34/1029219234.db2.gz XSJISWFKOLNZBS-LBPRGKRZSA-N 2 1 333.386 3.677 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000414807378 1029254237 /nfs/dbraw/zinc/25/42/37/1029254237.db2.gz CSIYJVVKZHNOBI-WWMYMODYSA-N 3 1 329.532 3.839 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000414808516 1029275042 /nfs/dbraw/zinc/27/50/42/1029275042.db2.gz KVNFTSSFOYPNPS-KEIZBESESA-N 3 1 349.522 3.707 20 0 EHADMP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000272149898 1029333524 /nfs/dbraw/zinc/33/35/24/1029333524.db2.gz DEPJNHFBMCBGRH-ICSRJNTNSA-N 2 1 348.494 3.643 20 0 EHADMP C[N@@H+](CC[C@@H](O)c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000286240926 1029463773 /nfs/dbraw/zinc/46/37/73/1029463773.db2.gz CIZLFRCMSRFYNA-IFMALSPDSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@@H](O)c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286240926 1029463785 /nfs/dbraw/zinc/46/37/85/1029463785.db2.gz CIZLFRCMSRFYNA-IFMALSPDSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@@H](O)c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286240926 1029463792 /nfs/dbraw/zinc/46/37/92/1029463792.db2.gz CIZLFRCMSRFYNA-IFMALSPDSA-N 2 1 338.495 3.564 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000261741488 1029493638 /nfs/dbraw/zinc/49/36/38/1029493638.db2.gz PGWKMTFOMKOXOE-FQEVSTJZSA-N 2 1 328.431 3.575 20 0 EHADMP FC(F)(F)c1cccc([C@]2(F)CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261877117 1029523658 /nfs/dbraw/zinc/52/36/58/1029523658.db2.gz VXTWVAKIAUCTTE-INIZCTEOSA-N 2 1 330.369 3.576 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272649758 1029549574 /nfs/dbraw/zinc/54/95/74/1029549574.db2.gz JZUCMXCNWLUZDH-TUNNFDKTSA-N 3 1 345.575 3.997 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272649758 1029549581 /nfs/dbraw/zinc/54/95/81/1029549581.db2.gz JZUCMXCNWLUZDH-TUNNFDKTSA-N 2 1 345.575 3.997 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC000272676227 1029562239 /nfs/dbraw/zinc/56/22/39/1029562239.db2.gz USCHNOJVVZYYIE-MGPQQGTHSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC000272676227 1029562249 /nfs/dbraw/zinc/56/22/49/1029562249.db2.gz USCHNOJVVZYYIE-MGPQQGTHSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC000272676225 1029562811 /nfs/dbraw/zinc/56/28/11/1029562811.db2.gz USCHNOJVVZYYIE-HZSPNIEDSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC000272676225 1029562820 /nfs/dbraw/zinc/56/28/20/1029562820.db2.gz USCHNOJVVZYYIE-HZSPNIEDSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000246040717 1029593863 /nfs/dbraw/zinc/59/38/63/1029593863.db2.gz XBFCSKMLZRUGEA-RBUKOAKNSA-N 2 1 340.515 3.683 20 0 EHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738773 1029715162 /nfs/dbraw/zinc/71/51/62/1029715162.db2.gz BOSRLPHUARBBQP-UGSOOPFHSA-N 2 1 349.316 3.900 20 0 EHADMP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708752 1029770460 /nfs/dbraw/zinc/77/04/60/1029770460.db2.gz DGLOAVJODRIFEH-UVUJQTEASA-N 2 1 344.543 3.818 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000126842645 1029789651 /nfs/dbraw/zinc/78/96/51/1029789651.db2.gz BCVQXHRTQFFIRF-HOTGVXAUSA-N 2 1 332.517 3.527 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000126842645 1029789661 /nfs/dbraw/zinc/78/96/61/1029789661.db2.gz BCVQXHRTQFFIRF-HOTGVXAUSA-N 2 1 332.517 3.527 20 0 EHADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093274832 1029845835 /nfs/dbraw/zinc/84/58/35/1029845835.db2.gz YDNGDJRSFMNSNP-OAHLLOKOSA-N 2 1 347.528 3.893 20 0 EHADMP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000647293715 1029872650 /nfs/dbraw/zinc/87/26/50/1029872650.db2.gz XROVEFTUZAYQLN-WSTZPKSXSA-N 2 1 333.520 3.648 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000453221467 1029932956 /nfs/dbraw/zinc/93/29/56/1029932956.db2.gz OYVOTAOAIZSXDM-SCTDSRPQSA-N 2 1 348.556 3.603 20 0 EHADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000428696263 1029946199 /nfs/dbraw/zinc/94/61/99/1029946199.db2.gz YHSCSBDFSXUBLK-AWEZNQCLSA-N 2 1 348.288 3.918 20 0 EHADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000635009915 1029950559 /nfs/dbraw/zinc/95/05/59/1029950559.db2.gz XBDFTEFGNGKDFW-HOCLYGCPSA-N 2 1 329.513 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@@H+]1C ZINC000453236145 1029958858 /nfs/dbraw/zinc/95/88/58/1029958858.db2.gz KITJFNKOIXIUAL-TZMCWYRMSA-N 2 1 328.378 3.647 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC000453236145 1029958874 /nfs/dbraw/zinc/95/88/74/1029958874.db2.gz KITJFNKOIXIUAL-TZMCWYRMSA-N 2 1 328.378 3.647 20 0 EHADMP OCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000120453453 1030000221 /nfs/dbraw/zinc/00/02/21/1030000221.db2.gz CSLPALKNGDPUCW-QFIPXVFZSA-N 2 1 344.543 3.614 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000650711063 1030037844 /nfs/dbraw/zinc/03/78/44/1030037844.db2.gz HMPPBSXTGFXPBF-KDOFPFPSSA-N 2 1 345.512 3.768 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000650711063 1030037860 /nfs/dbraw/zinc/03/78/60/1030037860.db2.gz HMPPBSXTGFXPBF-KDOFPFPSSA-N 2 1 345.512 3.768 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000650711064 1030038402 /nfs/dbraw/zinc/03/84/02/1030038402.db2.gz HMPPBSXTGFXPBF-KSSFIOAISA-N 2 1 345.512 3.768 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000650711064 1030038415 /nfs/dbraw/zinc/03/84/15/1030038415.db2.gz HMPPBSXTGFXPBF-KSSFIOAISA-N 2 1 345.512 3.768 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C(C)(C)C)CC3)C2)CC1 ZINC000525779503 1030115431 /nfs/dbraw/zinc/11/54/31/1030115431.db2.gz XEDKHSSERNELIT-XVAXZDLZSA-N 2 1 349.607 3.939 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000453420173 1030269859 /nfs/dbraw/zinc/26/98/59/1030269859.db2.gz ZLBUAQBCIDXXSQ-HXUWFJFHSA-N 2 1 327.447 3.774 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CCO1 ZINC001168142774 1030286975 /nfs/dbraw/zinc/28/69/75/1030286975.db2.gz LZRCVGLPUMMWGK-PZJWPPBQSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)c1noc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121604825 1030304047 /nfs/dbraw/zinc/30/40/47/1030304047.db2.gz GHVICHGNRYUGCJ-MRXNPFEDSA-N 2 1 334.508 3.842 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000583696887 1030478933 /nfs/dbraw/zinc/47/89/33/1030478933.db2.gz LSTPSEJAFYSOCR-UHFFFAOYSA-N 2 1 334.467 3.987 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000583696887 1030478942 /nfs/dbraw/zinc/47/89/42/1030478942.db2.gz LSTPSEJAFYSOCR-UHFFFAOYSA-N 2 1 334.467 3.987 20 0 EHADMP CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](CC)CC)cc1 ZINC000550848327 1030529936 /nfs/dbraw/zinc/52/99/36/1030529936.db2.gz QVBWLIINHLDRMU-YYWHXJBOSA-N 2 1 331.548 3.562 20 0 EHADMP CC(C)COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000482646150 1030605057 /nfs/dbraw/zinc/60/50/57/1030605057.db2.gz ZJRBWVOJZGGVED-XLIONFOSSA-N 2 1 332.532 3.929 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000568062345 1030694423 /nfs/dbraw/zinc/69/44/23/1030694423.db2.gz XZKVZJXYYRKTOO-OAHLLOKOSA-N 2 1 344.478 3.925 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000482878240 1030778803 /nfs/dbraw/zinc/77/88/03/1030778803.db2.gz ZOTRCKMGQZIYRV-NSISKUIASA-N 2 1 349.950 3.767 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)CC1 ZINC000668169395 1030838290 /nfs/dbraw/zinc/83/82/90/1030838290.db2.gz QCZQCIXWVNMBQR-AWEZNQCLSA-N 2 1 342.405 3.591 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482954697 1030848243 /nfs/dbraw/zinc/84/82/43/1030848243.db2.gz XWVQXWQRXVNOMG-FCEUIQTBSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482954697 1030848265 /nfs/dbraw/zinc/84/82/65/1030848265.db2.gz XWVQXWQRXVNOMG-FCEUIQTBSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482954697 1030848283 /nfs/dbraw/zinc/84/82/83/1030848283.db2.gz XWVQXWQRXVNOMG-FCEUIQTBSA-N 2 1 343.559 3.751 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457220 1030940005 /nfs/dbraw/zinc/94/00/05/1030940005.db2.gz MFDSYRJABNTQES-QIJUGHKUSA-N 2 1 338.495 3.529 20 0 EHADMP CC(C)[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)C1CCCC1 ZINC000583886828 1031041772 /nfs/dbraw/zinc/04/17/72/1031041772.db2.gz DUPFSIMGJBIPNQ-OAQYLSRUSA-N 2 1 330.516 3.931 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527646162 1031074958 /nfs/dbraw/zinc/07/49/58/1031074958.db2.gz ROXJQSKPQVLBRW-VQTJNVASSA-N 2 1 330.516 3.803 20 0 EHADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000468359261 1031093601 /nfs/dbraw/zinc/09/36/01/1031093601.db2.gz QSNPMMHCOPQLKQ-DTRRYIFCSA-N 2 1 330.516 3.894 20 0 EHADMP FC(F)(F)COc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786375 1031142607 /nfs/dbraw/zinc/14/26/07/1031142607.db2.gz MSSYEHSGBDPEHE-OAHLLOKOSA-N 2 1 342.405 3.545 20 0 EHADMP FC(F)(F)COc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786375 1031142613 /nfs/dbraw/zinc/14/26/13/1031142613.db2.gz MSSYEHSGBDPEHE-OAHLLOKOSA-N 2 1 342.405 3.545 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@@H+]1C ZINC000483743164 1031312536 /nfs/dbraw/zinc/31/25/36/1031312536.db2.gz MXXNHZHRAAXWPE-XAGWURHQSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@H+]1C ZINC000483743164 1031312552 /nfs/dbraw/zinc/31/25/52/1031312552.db2.gz MXXNHZHRAAXWPE-XAGWURHQSA-N 2 1 341.268 3.648 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2cccs2)[C@@H](C)C1 ZINC000483748703 1031317326 /nfs/dbraw/zinc/31/73/26/1031317326.db2.gz WDOMFXIPLPDWSP-AOIWGVFYSA-N 2 1 338.561 3.653 20 0 EHADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000483844869 1031374045 /nfs/dbraw/zinc/37/40/45/1031374045.db2.gz AEDHRZCYCCYDBG-HLAWJBBLSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCc2ccc(F)cc21 ZINC000668291576 1031402489 /nfs/dbraw/zinc/40/24/89/1031402489.db2.gz PNWLEPXGIBBUKU-HNNXBMFYSA-N 2 1 336.414 3.568 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000484095153 1031452776 /nfs/dbraw/zinc/45/27/76/1031452776.db2.gz HNGNGLANLSTMOY-SUMWQHHRSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000484095153 1031452780 /nfs/dbraw/zinc/45/27/80/1031452780.db2.gz HNGNGLANLSTMOY-SUMWQHHRSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000484095153 1031452788 /nfs/dbraw/zinc/45/27/88/1031452788.db2.gz HNGNGLANLSTMOY-SUMWQHHRSA-N 2 1 328.859 3.520 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152192 1031471307 /nfs/dbraw/zinc/47/13/07/1031471307.db2.gz PFHRZBQUDPQIDZ-DWLFOUALSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484152192 1031471315 /nfs/dbraw/zinc/47/13/15/1031471315.db2.gz PFHRZBQUDPQIDZ-DWLFOUALSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000528007660 1031578630 /nfs/dbraw/zinc/57/86/30/1031578630.db2.gz RFVIBIZXOAKBDS-NREFVSOLSA-N 2 1 330.516 3.831 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1OC(F)F ZINC000484467700 1031581704 /nfs/dbraw/zinc/58/17/04/1031581704.db2.gz AVFQUDKYWQBLCS-YUTCNCBUSA-N 2 1 330.394 3.951 20 0 EHADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000657823310 1031594650 /nfs/dbraw/zinc/59/46/50/1031594650.db2.gz KSCNANVKXADNJH-NSHDSACASA-N 2 1 334.813 3.974 20 0 EHADMP CCc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000475724200 1031604145 /nfs/dbraw/zinc/60/41/45/1031604145.db2.gz RXRIZEQNPQZYJX-AYOQOUSVSA-N 2 1 336.907 3.586 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000475724200 1031604165 /nfs/dbraw/zinc/60/41/65/1031604165.db2.gz RXRIZEQNPQZYJX-AYOQOUSVSA-N 2 1 336.907 3.586 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@H]4CCCCO4)C3)C2)cc1 ZINC000347412375 1031640923 /nfs/dbraw/zinc/64/09/23/1031640923.db2.gz AFHAMNSZBJSDRS-YADHBBJMSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCCCO4)C3)C2)cc1 ZINC000347412375 1031640934 /nfs/dbraw/zinc/64/09/34/1031640934.db2.gz AFHAMNSZBJSDRS-YADHBBJMSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCCCO4)C3)C2)cc1 ZINC000347412375 1031640945 /nfs/dbraw/zinc/64/09/45/1031640945.db2.gz AFHAMNSZBJSDRS-YADHBBJMSA-N 2 1 342.527 3.934 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158997591 1031782552 /nfs/dbraw/zinc/78/25/52/1031782552.db2.gz KQJPBUCAURWCHE-JKSUJKDBSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158997591 1031782568 /nfs/dbraw/zinc/78/25/68/1031782568.db2.gz KQJPBUCAURWCHE-JKSUJKDBSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000159008058 1031804315 /nfs/dbraw/zinc/80/43/15/1031804315.db2.gz AEWVEMZSUPSVMI-JKSUJKDBSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000159008058 1031804335 /nfs/dbraw/zinc/80/43/35/1031804335.db2.gz AEWVEMZSUPSVMI-JKSUJKDBSA-N 2 1 334.508 3.670 20 0 EHADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000584144881 1031810358 /nfs/dbraw/zinc/81/03/58/1031810358.db2.gz SQQNZXCJLWOXMV-XZOQPEGZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000584144881 1031810372 /nfs/dbraw/zinc/81/03/72/1031810372.db2.gz SQQNZXCJLWOXMV-XZOQPEGZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000584144881 1031810387 /nfs/dbraw/zinc/81/03/87/1031810387.db2.gz SQQNZXCJLWOXMV-XZOQPEGZSA-N 2 1 349.522 3.777 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(COc3cccc(F)c3)cc2)CC[N@H+]1C ZINC000647325429 1031948044 /nfs/dbraw/zinc/94/80/44/1031948044.db2.gz FZWUQVPRGWKMLF-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168369245 1031983693 /nfs/dbraw/zinc/98/36/93/1031983693.db2.gz ZOVOPNMGVIZULE-MXVIHJGJSA-N 3 1 333.564 3.623 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCC2)C2CCN(CC3CC3)CC2)CC1 ZINC001168369245 1031983707 /nfs/dbraw/zinc/98/37/07/1031983707.db2.gz ZOVOPNMGVIZULE-MXVIHJGJSA-N 2 1 333.564 3.623 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2CCN(CC3CC3)CC2)CC1 ZINC001168369245 1031983718 /nfs/dbraw/zinc/98/37/18/1031983718.db2.gz ZOVOPNMGVIZULE-MXVIHJGJSA-N 2 1 333.564 3.623 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000657837182 1032041966 /nfs/dbraw/zinc/04/19/66/1032041966.db2.gz REZGKBBDPSYGQM-PXNSSMCTSA-N 2 1 338.499 3.882 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@@H]1SC ZINC000459404580 1032045712 /nfs/dbraw/zinc/04/57/12/1032045712.db2.gz DMSFIWFVFZNOES-QLIIJSOBSA-N 2 1 348.556 3.711 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)OC(C)(C)C)CC1)CC1CC1 ZINC001168423635 1033445524 /nfs/dbraw/zinc/44/55/24/1033445524.db2.gz NULRKVBNUBNALA-UHFFFAOYSA-N 2 1 338.536 3.552 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccccn1 ZINC000093338964 1033461800 /nfs/dbraw/zinc/46/18/00/1033461800.db2.gz VYNWLXJXTGCCTH-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCCC(C)C ZINC000105480866 1033475027 /nfs/dbraw/zinc/47/50/27/1033475027.db2.gz JGMQKWQKKWHCDE-WMZOPIPTSA-N 2 1 334.504 3.550 20 0 EHADMP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000120220714 1033526115 /nfs/dbraw/zinc/52/61/15/1033526115.db2.gz JNZKOMVXHHBREZ-NRFANRHFSA-N 2 1 346.515 3.505 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000398103514 1033610055 /nfs/dbraw/zinc/61/00/55/1033610055.db2.gz AVPBYOPQMBFVJO-YLJYHZDGSA-N 2 1 346.478 3.630 20 0 EHADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348171 1033725895 /nfs/dbraw/zinc/72/58/95/1033725895.db2.gz ZFZSDXXXJOETGW-PKOBYXMFSA-N 2 1 329.513 3.624 20 0 EHADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348171 1033725909 /nfs/dbraw/zinc/72/59/09/1033725909.db2.gz ZFZSDXXXJOETGW-PKOBYXMFSA-N 2 1 329.513 3.624 20 0 EHADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2ccc(Cl)cc21 ZINC000574977258 1033749511 /nfs/dbraw/zinc/74/95/11/1033749511.db2.gz FMDBXUPKFVWMAE-CEXWTWQISA-N 2 1 345.918 3.837 20 0 EHADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000550645583 1033807259 /nfs/dbraw/zinc/80/72/59/1033807259.db2.gz YVRNEYOYWFSBNU-AWEZNQCLSA-N 2 1 342.830 3.718 20 0 EHADMP Cn1ccnc1[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000550645583 1033807272 /nfs/dbraw/zinc/80/72/72/1033807272.db2.gz YVRNEYOYWFSBNU-AWEZNQCLSA-N 2 1 342.830 3.718 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000669692203 1033845498 /nfs/dbraw/zinc/84/54/98/1033845498.db2.gz GDLCIBJDYAMKGP-GJCOWUBNSA-N 2 1 341.543 3.580 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658142863 1033986542 /nfs/dbraw/zinc/98/65/42/1033986542.db2.gz FDOSFVDXZOONIZ-FCHUYYIVSA-N 2 1 338.495 3.884 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cccc(Br)c2F)CC1 ZINC001168324912 1034106790 /nfs/dbraw/zinc/10/67/90/1034106790.db2.gz ZSQSJOPOABAOHW-UHFFFAOYSA-N 2 1 343.284 3.893 20 0 EHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000658269621 1034148349 /nfs/dbraw/zinc/14/83/49/1034148349.db2.gz WYLNNQTXXXUIJV-JXFKEZNVSA-N 2 1 344.547 3.820 20 0 EHADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000658315586 1034191286 /nfs/dbraw/zinc/19/12/86/1034191286.db2.gz NMXCTTOVMAGFOW-DZFGPLHGSA-N 2 1 330.516 3.692 20 0 EHADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456289155 1034281087 /nfs/dbraw/zinc/28/10/87/1034281087.db2.gz XLDMEAGGQNLMHT-KRWDZBQOSA-N 2 1 343.496 3.611 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001168121526 1034374644 /nfs/dbraw/zinc/37/46/44/1034374644.db2.gz LYZKXRYBOYUHKO-JEIKXUOUSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001168121526 1034374659 /nfs/dbraw/zinc/37/46/59/1034374659.db2.gz LYZKXRYBOYUHKO-JEIKXUOUSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001168121526 1034374672 /nfs/dbraw/zinc/37/46/72/1034374672.db2.gz LYZKXRYBOYUHKO-JEIKXUOUSA-N 2 1 348.556 3.848 20 0 EHADMP CCC[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000604755473 1034498608 /nfs/dbraw/zinc/49/86/08/1034498608.db2.gz HSPBHAPPINFELQ-UHFFFAOYSA-N 2 1 334.261 3.529 20 0 EHADMP C[N@@H+](CC1CC(F)(F)C1)[C@H]1CCC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450616027 1034598468 /nfs/dbraw/zinc/59/84/68/1034598468.db2.gz QIRGVRMAAKUKPP-HNNXBMFYSA-N 2 1 336.417 3.863 20 0 EHADMP C[NH+](CC1CC(F)(F)C1)[C@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC000450616027 1034598475 /nfs/dbraw/zinc/59/84/75/1034598475.db2.gz QIRGVRMAAKUKPP-HNNXBMFYSA-N 2 1 336.417 3.863 20 0 EHADMP C[NH+](CC1CC(F)(F)C1)[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000450616027 1034598483 /nfs/dbraw/zinc/59/84/83/1034598483.db2.gz QIRGVRMAAKUKPP-HNNXBMFYSA-N 2 1 336.417 3.863 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450641990 1034607137 /nfs/dbraw/zinc/60/71/37/1034607137.db2.gz OTQOBNXQECZTGQ-GOSISDBHSA-N 2 1 346.506 3.882 20 0 EHADMP CC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000450638439 1034631531 /nfs/dbraw/zinc/63/15/31/1034631531.db2.gz IUNOIVJXOZXHAM-UHFFFAOYSA-N 2 1 337.467 3.633 20 0 EHADMP Cc1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000153599168 1035117770 /nfs/dbraw/zinc/11/77/70/1035117770.db2.gz BBSYGJCRVBCQGK-GJZGRUSLSA-N 2 1 329.513 3.698 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647496755 1035319870 /nfs/dbraw/zinc/31/98/70/1035319870.db2.gz OGSCXVGBMLZMIR-LPHOPBHVSA-N 2 1 342.458 3.964 20 0 EHADMP C[C@@H]1C[NH+](CCCCCCCC[N@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000177703396 1035339349 /nfs/dbraw/zinc/33/93/49/1035339349.db2.gz QILYDHPPDQFLEG-WOJBJXKFSA-N 2 1 340.552 3.549 20 0 EHADMP CC[C@@H]1C[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)CC[C@H]1[NH3+] ZINC000647498753 1035358998 /nfs/dbraw/zinc/35/89/98/1035358998.db2.gz PPGLMOFGBDPGCZ-IEBWSBKVSA-N 2 1 325.456 3.742 20 0 EHADMP COC[C@H](C)Oc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000623614791 1035753636 /nfs/dbraw/zinc/75/36/36/1035753636.db2.gz AQOYBHBVUWYBEC-FXAWDEMLSA-N 2 1 346.515 3.597 20 0 EHADMP COC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282458812 1035807172 /nfs/dbraw/zinc/80/71/72/1035807172.db2.gz OKHPNSBEBZRBGA-MHJFOBGBSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282458812 1035807194 /nfs/dbraw/zinc/80/71/94/1035807194.db2.gz OKHPNSBEBZRBGA-MHJFOBGBSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172184 1035814809 /nfs/dbraw/zinc/81/48/09/1035814809.db2.gz RXUMIIYIHIOJCU-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H]([NH2+]CCOc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463647 1035822656 /nfs/dbraw/zinc/82/26/56/1035822656.db2.gz JDMGNKKIRXBONQ-PKOBYXMFSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687505 1035973201 /nfs/dbraw/zinc/97/32/01/1035973201.db2.gz LCPPXJIEHNKGER-GHTZIAJQSA-N 2 1 348.490 3.983 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687505 1035973213 /nfs/dbraw/zinc/97/32/13/1035973213.db2.gz LCPPXJIEHNKGER-GHTZIAJQSA-N 2 1 348.490 3.983 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414225163 1036164777 /nfs/dbraw/zinc/16/47/77/1036164777.db2.gz BADMSCWRICCNMD-NEOGFGCTSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)C1 ZINC000492691091 1036178457 /nfs/dbraw/zinc/17/84/57/1036178457.db2.gz JVAOLHPMEYJPBM-RZXSNQJFSA-N 2 1 343.515 3.544 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)o1 ZINC000190772231 1036291868 /nfs/dbraw/zinc/29/18/68/1036291868.db2.gz YQJXOUSTJRTMNU-CYBMUJFWSA-N 2 1 329.282 3.786 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000190772516 1036293025 /nfs/dbraw/zinc/29/30/25/1036293025.db2.gz QXAQDPRWRBZXLA-GOSISDBHSA-N 2 1 332.536 3.528 20 0 EHADMP c1ccc(CO[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168387999 1036327506 /nfs/dbraw/zinc/32/75/06/1036327506.db2.gz ZGBBDEDJCRGNIK-OAQYLSRUSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472571267 1036387884 /nfs/dbraw/zinc/38/78/84/1036387884.db2.gz OTJQEFBFDXBPFX-YLJYHZDGSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472571267 1036387904 /nfs/dbraw/zinc/38/79/04/1036387904.db2.gz OTJQEFBFDXBPFX-YLJYHZDGSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H]1C[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000414272785 1036395966 /nfs/dbraw/zinc/39/59/66/1036395966.db2.gz YLWCYKASHAXSLM-RAYIQMRBSA-N 2 1 330.516 3.833 20 0 EHADMP COc1ccc(Oc2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)cc2)cc1 ZINC000541555206 1036446336 /nfs/dbraw/zinc/44/63/36/1036446336.db2.gz RFGWJBXDYLVIMZ-UHFFFAOYSA-N 2 1 338.451 3.839 20 0 EHADMP COc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000192716985 1036542357 /nfs/dbraw/zinc/54/23/57/1036542357.db2.gz JJLNRLPIOINOCJ-AYHJJNSGSA-N 2 1 328.500 3.722 20 0 EHADMP COC1([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000414304426 1036548640 /nfs/dbraw/zinc/54/86/40/1036548640.db2.gz MJBUQWROMZRGGH-KKXNLOMOSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC(C)(C)C[C@H]3C)CC2)oc1C ZINC000193134246 1036588740 /nfs/dbraw/zinc/58/87/40/1036588740.db2.gz RIQQZTNQMSKLAK-RDTXWAMCSA-N 2 1 333.520 3.918 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121856207 1036599482 /nfs/dbraw/zinc/59/94/82/1036599482.db2.gz KIMRBLFHPKFDMV-DVWBAYGPSA-N 2 1 340.511 3.759 20 0 EHADMP Cc1ccc(CNCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000414313636 1036611210 /nfs/dbraw/zinc/61/12/10/1036611210.db2.gz PBNPRUPYICYTKI-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000414313636 1036611222 /nfs/dbraw/zinc/61/12/22/1036611222.db2.gz PBNPRUPYICYTKI-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000414313636 1036611229 /nfs/dbraw/zinc/61/12/29/1036611229.db2.gz PBNPRUPYICYTKI-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)CC3CCCCC3)C2)CC1 ZINC000541773980 1036628901 /nfs/dbraw/zinc/62/89/01/1036628901.db2.gz RMQDOHCFQDOZBW-CTNGQTDRSA-N 2 1 335.580 3.693 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769514 1036638551 /nfs/dbraw/zinc/63/85/51/1036638551.db2.gz IJJNPICHZFCQRU-RLLQIKCJSA-N 2 1 340.515 3.762 20 0 EHADMP CC[C@H](C[NH2+]C1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000177352953 1036823842 /nfs/dbraw/zinc/82/38/42/1036823842.db2.gz OCZKFTCONMWMTH-AWEZNQCLSA-N 2 1 339.321 3.702 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000310512615 1036850505 /nfs/dbraw/zinc/85/05/05/1036850505.db2.gz MFJYMQRGSBVXOT-GOSISDBHSA-N 2 1 345.487 3.705 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206333 1036893664 /nfs/dbraw/zinc/89/36/64/1036893664.db2.gz QIOKAFVJVICJPW-ACAXCVFMSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206333 1036893690 /nfs/dbraw/zinc/89/36/90/1036893690.db2.gz QIOKAFVJVICJPW-ACAXCVFMSA-N 2 1 330.516 3.833 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310875008 1036917696 /nfs/dbraw/zinc/91/76/96/1036917696.db2.gz VARDKJRDUWQLBJ-AYWYSENESA-N 2 1 342.527 3.834 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310982562 1037045165 /nfs/dbraw/zinc/04/51/65/1037045165.db2.gz GESZWLZZSHRYFD-HBMCJLEFSA-N 2 1 342.527 3.836 20 0 EHADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000414370496 1037054192 /nfs/dbraw/zinc/05/41/92/1037054192.db2.gz WLDILIMVQRXTLX-VXKWHMMOSA-N 2 1 341.543 3.819 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000590812778 1037084825 /nfs/dbraw/zinc/08/48/25/1037084825.db2.gz YEEGXFLGCGPVDE-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543874 1037096431 /nfs/dbraw/zinc/09/64/31/1037096431.db2.gz TVHWMRPXTCZQDD-OLZOCXBDSA-N 2 1 332.435 3.979 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838565 1037246082 /nfs/dbraw/zinc/24/60/82/1037246082.db2.gz XDKOJONHRVNXJB-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838565 1037246094 /nfs/dbraw/zinc/24/60/94/1037246094.db2.gz XDKOJONHRVNXJB-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838565 1037246107 /nfs/dbraw/zinc/24/61/07/1037246107.db2.gz XDKOJONHRVNXJB-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850097 1037279791 /nfs/dbraw/zinc/27/97/91/1037279791.db2.gz BRQGLRVONKOJNW-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850097 1037279810 /nfs/dbraw/zinc/27/98/10/1037279810.db2.gz BRQGLRVONKOJNW-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850097 1037279822 /nfs/dbraw/zinc/27/98/22/1037279822.db2.gz BRQGLRVONKOJNW-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850097 1037279835 /nfs/dbraw/zinc/27/98/35/1037279835.db2.gz BRQGLRVONKOJNW-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)C[C@@H]1c1ccccc1 ZINC000423420485 1037348778 /nfs/dbraw/zinc/34/87/78/1037348778.db2.gz XFBRIFICYNNYIC-SIKLNZKXSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)C[C@@H]1c1ccccc1 ZINC000423420485 1037348796 /nfs/dbraw/zinc/34/87/96/1037348796.db2.gz XFBRIFICYNNYIC-SIKLNZKXSA-N 2 1 335.495 3.970 20 0 EHADMP CC(C)C[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163956687 1037395011 /nfs/dbraw/zinc/39/50/11/1037395011.db2.gz HGDIPBYIAFTDOW-GOSISDBHSA-N 2 1 348.531 3.700 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)C2 ZINC000462796684 1037411098 /nfs/dbraw/zinc/41/10/98/1037411098.db2.gz UYCMCEIRWJOWLX-CEMLEFRQSA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)C2 ZINC000462796684 1037411106 /nfs/dbraw/zinc/41/11/06/1037411106.db2.gz UYCMCEIRWJOWLX-CEMLEFRQSA-N 2 1 342.527 3.620 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000532510032 1037536821 /nfs/dbraw/zinc/53/68/21/1037536821.db2.gz JLURSVOHZHKJIO-HHXXYDBFSA-N 2 1 334.479 3.792 20 0 EHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000540161796 1037620209 /nfs/dbraw/zinc/62/02/09/1037620209.db2.gz XHLCRNTUIIHRCV-KKSFZXQISA-N 2 1 328.500 3.850 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493898640 1037719855 /nfs/dbraw/zinc/71/98/55/1037719855.db2.gz XUTVJTFSEDQMMY-USYVTKNRSA-N 2 1 334.548 3.682 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000540222835 1037724400 /nfs/dbraw/zinc/72/44/00/1037724400.db2.gz WHGVFVVVNBDOML-PDGJWGCVSA-N 2 1 344.543 3.938 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463122998 1037776382 /nfs/dbraw/zinc/77/63/82/1037776382.db2.gz MTWXEVYDVZCSSK-JOCHJYFZSA-N 2 1 343.559 3.548 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315222 1037804392 /nfs/dbraw/zinc/80/43/92/1037804392.db2.gz GPJDFCQTLCOHOT-FGZHOGPDSA-N 2 1 338.495 3.610 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315222 1037804407 /nfs/dbraw/zinc/80/44/07/1037804407.db2.gz GPJDFCQTLCOHOT-FGZHOGPDSA-N 2 1 338.495 3.610 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[NH+](CC[C@@H]4CCCC[N@@H+]4C)C3)nc2c1 ZINC000540321936 1037814028 /nfs/dbraw/zinc/81/40/28/1037814028.db2.gz XLFDKLALFAMLOZ-ROUUACIJSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321936 1037814046 /nfs/dbraw/zinc/81/40/46/1037814046.db2.gz XLFDKLALFAMLOZ-ROUUACIJSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321936 1037814063 /nfs/dbraw/zinc/81/40/63/1037814063.db2.gz XLFDKLALFAMLOZ-ROUUACIJSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@@H]4CCCC[N@H+]4C)C3)[nH]c2c1 ZINC000540321936 1037814078 /nfs/dbraw/zinc/81/40/78/1037814078.db2.gz XLFDKLALFAMLOZ-ROUUACIJSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@@H]4CCCC[N@@H+]4C)C3)[nH]c2c1 ZINC000540321936 1037814092 /nfs/dbraw/zinc/81/40/92/1037814092.db2.gz XLFDKLALFAMLOZ-ROUUACIJSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321936 1037814112 /nfs/dbraw/zinc/81/41/12/1037814112.db2.gz XLFDKLALFAMLOZ-ROUUACIJSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321936 1037814138 /nfs/dbraw/zinc/81/41/38/1037814138.db2.gz XLFDKLALFAMLOZ-ROUUACIJSA-N 2 1 340.515 3.925 20 0 EHADMP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000463148376 1037814296 /nfs/dbraw/zinc/81/42/96/1037814296.db2.gz SDHGOWJTLXTHNQ-WOJBJXKFSA-N 2 1 343.559 3.546 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1SC ZINC000592377095 1037918159 /nfs/dbraw/zinc/91/81/59/1037918159.db2.gz NLNOQUXFWLQCAL-FKICDVMDSA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1SC ZINC000592377095 1037918169 /nfs/dbraw/zinc/91/81/69/1037918169.db2.gz NLNOQUXFWLQCAL-FKICDVMDSA-N 2 1 348.556 3.538 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480758 1037927004 /nfs/dbraw/zinc/92/70/04/1037927004.db2.gz MSBJZILQIPHFMZ-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480758 1037927022 /nfs/dbraw/zinc/92/70/22/1037927022.db2.gz MSBJZILQIPHFMZ-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506480758 1037927039 /nfs/dbraw/zinc/92/70/39/1037927039.db2.gz MSBJZILQIPHFMZ-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506480758 1037927051 /nfs/dbraw/zinc/92/70/51/1037927051.db2.gz MSBJZILQIPHFMZ-OALUTQOASA-N 2 1 346.515 3.660 20 0 EHADMP COCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183133759 1037932217 /nfs/dbraw/zinc/93/22/17/1037932217.db2.gz GLLBLDCFRLMPGV-QHAWAJNXSA-N 2 1 330.516 3.693 20 0 EHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000173388005 1038066439 /nfs/dbraw/zinc/06/64/39/1038066439.db2.gz OQFBECUHJIOVMP-LJQANCHMSA-N 2 1 337.939 3.654 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000125511175 1038339477 /nfs/dbraw/zinc/33/94/77/1038339477.db2.gz FFAXCDISZUZPSP-UHFFFAOYSA-N 2 1 341.499 3.901 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000125511175 1038339491 /nfs/dbraw/zinc/33/94/91/1038339491.db2.gz FFAXCDISZUZPSP-UHFFFAOYSA-N 2 1 341.499 3.901 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COCc5ccccc54)[C@H]3C2)cc1 ZINC000388726922 1038463966 /nfs/dbraw/zinc/46/39/66/1038463966.db2.gz JQOHUMLKMMXNND-FDTGPBLFSA-N 2 1 348.490 3.758 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COCc5ccccc54)[C@H]3C2)cc1 ZINC000388726922 1038463981 /nfs/dbraw/zinc/46/39/81/1038463981.db2.gz JQOHUMLKMMXNND-FDTGPBLFSA-N 2 1 348.490 3.758 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704953 1038481500 /nfs/dbraw/zinc/48/15/00/1038481500.db2.gz VDGSKUGCECPOPX-LPHOPBHVSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538704953 1038481508 /nfs/dbraw/zinc/48/15/08/1038481508.db2.gz VDGSKUGCECPOPX-LPHOPBHVSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704953 1038481514 /nfs/dbraw/zinc/48/15/14/1038481514.db2.gz VDGSKUGCECPOPX-LPHOPBHVSA-N 2 1 334.467 3.563 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(C1)CCOCC2 ZINC000538763090 1038529482 /nfs/dbraw/zinc/52/94/82/1038529482.db2.gz DYDUFVPHPUOVDR-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(C1)CCOCC2 ZINC000538763090 1038529489 /nfs/dbraw/zinc/52/94/89/1038529489.db2.gz DYDUFVPHPUOVDR-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000538763090 1038529493 /nfs/dbraw/zinc/52/94/93/1038529493.db2.gz DYDUFVPHPUOVDR-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC2(C1)CCOCC2 ZINC000538763090 1038529502 /nfs/dbraw/zinc/52/95/02/1038529502.db2.gz DYDUFVPHPUOVDR-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000689869384 1038596467 /nfs/dbraw/zinc/59/64/67/1038596467.db2.gz MJJSCFOLXWXTCD-NRSPTQNISA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000539070321 1038670377 /nfs/dbraw/zinc/67/03/77/1038670377.db2.gz JWAJZFXRJYAWRF-FGTMMUONSA-N 2 1 330.516 3.715 20 0 EHADMP Clc1cnc2oc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000648384605 1038678457 /nfs/dbraw/zinc/67/84/57/1038678457.db2.gz CWSRNXCQMXCRFW-SCLBCKFNSA-N 2 1 345.874 3.930 20 0 EHADMP Clc1cnc2oc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000648384605 1038678459 /nfs/dbraw/zinc/67/84/59/1038678459.db2.gz CWSRNXCQMXCRFW-SCLBCKFNSA-N 2 1 345.874 3.930 20 0 EHADMP Clc1cnc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000648384605 1038678464 /nfs/dbraw/zinc/67/84/64/1038678464.db2.gz CWSRNXCQMXCRFW-SCLBCKFNSA-N 2 1 345.874 3.930 20 0 EHADMP Clc1cnc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000648384605 1038678465 /nfs/dbraw/zinc/67/84/65/1038678465.db2.gz CWSRNXCQMXCRFW-SCLBCKFNSA-N 2 1 345.874 3.930 20 0 EHADMP Clc1cccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000485228031 1038787229 /nfs/dbraw/zinc/78/72/29/1038787229.db2.gz HDDFBXQVSVQBDP-UHFFFAOYSA-N 2 1 336.907 3.507 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554071449 1038856203 /nfs/dbraw/zinc/85/62/03/1038856203.db2.gz KGPDOMLIWAIASK-RBSFLKMASA-N 2 1 336.442 3.587 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554071449 1038856230 /nfs/dbraw/zinc/85/62/30/1038856230.db2.gz KGPDOMLIWAIASK-RBSFLKMASA-N 2 1 336.442 3.587 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000479916265 1038892172 /nfs/dbraw/zinc/89/21/72/1038892172.db2.gz SFMZHKQPAPDFMD-JKSUJKDBSA-N 2 1 343.515 3.831 20 0 EHADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000552050461 1038919309 /nfs/dbraw/zinc/91/93/09/1038919309.db2.gz GFJCIWDUNDJWFH-KKUMJFAQSA-N 2 1 338.517 3.553 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000898440568 1039031600 /nfs/dbraw/zinc/03/16/00/1039031600.db2.gz SLOUEJXZCWCUOV-MJGOQNOKSA-N 2 1 348.556 3.541 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000898440568 1039031621 /nfs/dbraw/zinc/03/16/21/1039031621.db2.gz SLOUEJXZCWCUOV-MJGOQNOKSA-N 2 1 348.556 3.541 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC000488454042 1039184934 /nfs/dbraw/zinc/18/49/34/1039184934.db2.gz XYKNDYLIKJJZNP-XSLAGTTESA-N 2 1 342.593 3.633 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518755 1039188229 /nfs/dbraw/zinc/18/82/29/1039188229.db2.gz LCWWBQRSPPUAPC-PVIWCNJMSA-N 2 1 342.527 3.834 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000660119181 1039223992 /nfs/dbraw/zinc/22/39/92/1039223992.db2.gz YSXIYSNJZQVDLU-MSEOUXRUSA-N 2 1 342.527 3.754 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000552362510 1039224811 /nfs/dbraw/zinc/22/48/11/1039224811.db2.gz AAMLHTKLFAGYMO-QGZVFWFLSA-N 2 1 331.504 3.589 20 0 EHADMP Clc1ccc([C@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667627814 1039232927 /nfs/dbraw/zinc/23/29/27/1039232927.db2.gz MIVDCXCZXQVPFM-INIZCTEOSA-N 2 1 338.842 3.910 20 0 EHADMP Clc1ccc([C@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667627814 1039232937 /nfs/dbraw/zinc/23/29/37/1039232937.db2.gz MIVDCXCZXQVPFM-INIZCTEOSA-N 2 1 338.842 3.910 20 0 EHADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCC(C)C ZINC000432801273 1039263824 /nfs/dbraw/zinc/26/38/24/1039263824.db2.gz VERCBOJAEJOPRV-GOSISDBHSA-N 2 1 334.504 3.646 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCC(C)C ZINC000432801273 1039263837 /nfs/dbraw/zinc/26/38/37/1039263837.db2.gz VERCBOJAEJOPRV-GOSISDBHSA-N 2 1 334.504 3.646 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000236828140 1039264564 /nfs/dbraw/zinc/26/45/64/1039264564.db2.gz NNTQZYRTBFXRES-UHFFFAOYSA-N 2 1 342.487 3.903 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236830211 1039264628 /nfs/dbraw/zinc/26/46/28/1039264628.db2.gz BCRHNKWENUJORW-IRXDYDNUSA-N 2 1 340.471 3.511 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295781 1039321473 /nfs/dbraw/zinc/32/14/73/1039321473.db2.gz KOFMXBWSRBZATP-KRWDZBQOSA-N 2 1 326.406 3.666 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295781 1039321487 /nfs/dbraw/zinc/32/14/87/1039321487.db2.gz KOFMXBWSRBZATP-KRWDZBQOSA-N 2 1 326.406 3.666 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295781 1039321502 /nfs/dbraw/zinc/32/15/02/1039321502.db2.gz KOFMXBWSRBZATP-KRWDZBQOSA-N 2 1 326.406 3.666 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(OC2CCCC2)c1 ZINC001168362730 1039365589 /nfs/dbraw/zinc/36/55/89/1039365589.db2.gz FEJXERAUPDWQLB-UHFFFAOYSA-N 2 1 328.500 3.972 20 0 EHADMP C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000478534611 1039522981 /nfs/dbraw/zinc/52/29/81/1039522981.db2.gz KXFQFJSCCXGEAK-FQEVSTJZSA-N 2 1 342.458 3.979 20 0 EHADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001142595184 1039621040 /nfs/dbraw/zinc/62/10/40/1039621040.db2.gz OTWQBOHVQCTZHP-FQEVSTJZSA-N 2 1 344.499 3.704 20 0 EHADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001142595184 1039621056 /nfs/dbraw/zinc/62/10/56/1039621056.db2.gz OTWQBOHVQCTZHP-FQEVSTJZSA-N 2 1 344.499 3.704 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000480614706 1039759951 /nfs/dbraw/zinc/75/99/51/1039759951.db2.gz ODJHKBPFYAOGCG-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480614706 1039759965 /nfs/dbraw/zinc/75/99/65/1039759965.db2.gz ODJHKBPFYAOGCG-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000480614706 1039759974 /nfs/dbraw/zinc/75/99/74/1039759974.db2.gz ODJHKBPFYAOGCG-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000549749220 1039790411 /nfs/dbraw/zinc/79/04/11/1039790411.db2.gz NVQNXVFXUKPHRI-APWZRJJASA-N 2 1 338.923 3.875 20 0 EHADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842158 1039797675 /nfs/dbraw/zinc/79/76/75/1039797675.db2.gz RJKDFTHQTGXYIX-VQTJNVASSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842158 1039797693 /nfs/dbraw/zinc/79/76/93/1039797693.db2.gz RJKDFTHQTGXYIX-VQTJNVASSA-N 2 1 332.532 3.674 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000480630113 1039805493 /nfs/dbraw/zinc/80/54/93/1039805493.db2.gz HQTILCROMLWIPT-DLBZAZTESA-N 2 1 334.504 3.867 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000554874120 1039872338 /nfs/dbraw/zinc/87/23/38/1039872338.db2.gz BJNQSLBLZRPSED-JXFKEZNVSA-N 2 1 344.499 3.606 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807404 1039919536 /nfs/dbraw/zinc/91/95/36/1039919536.db2.gz XRKDLKURRCEZDB-OXQOHEQNSA-N 2 1 344.886 3.628 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807404 1039919557 /nfs/dbraw/zinc/91/95/57/1039919557.db2.gz XRKDLKURRCEZDB-OXQOHEQNSA-N 2 1 344.886 3.628 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000489683083 1040140763 /nfs/dbraw/zinc/14/07/63/1040140763.db2.gz ZZAPGBFFKVGBQH-UHFFFAOYSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667785589 1040184971 /nfs/dbraw/zinc/18/49/71/1040184971.db2.gz UAASLULNNJZMAP-HBGVWJBISA-N 2 1 328.500 3.718 20 0 EHADMP Cc1ccn2c(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cnc2c1 ZINC000486530270 1040217926 /nfs/dbraw/zinc/21/79/26/1040217926.db2.gz CWLJCLWULYYSKU-AZUAARDMSA-N 2 1 348.494 3.643 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000481020532 1040279534 /nfs/dbraw/zinc/27/95/34/1040279534.db2.gz HPGRMZJHEFCDJF-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000481020532 1040279547 /nfs/dbraw/zinc/27/95/47/1040279547.db2.gz HPGRMZJHEFCDJF-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(SC)c2)[C@@H](C)C1 ZINC000660304257 1040295725 /nfs/dbraw/zinc/29/57/25/1040295725.db2.gz CJLPAUBWNCYLEW-LPHOPBHVSA-N 2 1 336.545 3.635 20 0 EHADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667505649 1040322955 /nfs/dbraw/zinc/32/29/55/1040322955.db2.gz WPHREJQONOLKIZ-NRFANRHFSA-N 2 1 348.450 3.785 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512627100 1040324501 /nfs/dbraw/zinc/32/45/01/1040324501.db2.gz ZYVMMTRDFADDPE-QMCAAQAGSA-N 2 1 342.527 3.692 20 0 EHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1C(F)(F)F)CC2 ZINC001143508595 1040395522 /nfs/dbraw/zinc/39/55/22/1040395522.db2.gz OHVUDVYYAWEWRM-UHFFFAOYSA-N 2 1 332.797 3.886 20 0 EHADMP COc1cccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1OC ZINC000479596301 1040438135 /nfs/dbraw/zinc/43/81/35/1040438135.db2.gz YKZRQNNHVHOUMW-UHFFFAOYSA-N 2 1 334.504 3.838 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087709 1040467966 /nfs/dbraw/zinc/46/79/66/1040467966.db2.gz CTBIMZUWJOZDRT-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087709 1040467974 /nfs/dbraw/zinc/46/79/74/1040467974.db2.gz CTBIMZUWJOZDRT-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087709 1040467982 /nfs/dbraw/zinc/46/79/82/1040467982.db2.gz CTBIMZUWJOZDRT-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087709 1040467991 /nfs/dbraw/zinc/46/79/91/1040467991.db2.gz CTBIMZUWJOZDRT-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP CC(C)C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000668693999 1040489567 /nfs/dbraw/zinc/48/95/67/1040489567.db2.gz XSKQGVWPWNCTRI-CTNGQTDRSA-N 2 1 330.516 3.659 20 0 EHADMP COC1(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000555380620 1040505127 /nfs/dbraw/zinc/50/51/27/1040505127.db2.gz ZTIFPJWFVQJSQO-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380620 1040505143 /nfs/dbraw/zinc/50/51/43/1040505143.db2.gz ZTIFPJWFVQJSQO-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380620 1040505158 /nfs/dbraw/zinc/50/51/58/1040505158.db2.gz ZTIFPJWFVQJSQO-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000500123977 1040559351 /nfs/dbraw/zinc/55/93/51/1040559351.db2.gz MFWWKLYBHXJNJY-HXUWFJFHSA-N 2 1 331.548 3.712 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)C[NH+]1CCCC1 ZINC000481311301 1040658490 /nfs/dbraw/zinc/65/84/90/1040658490.db2.gz UVSHLGBRNYQJIQ-OLZOCXBDSA-N 2 1 330.394 3.810 20 0 EHADMP c1ncc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000411327078 1040750969 /nfs/dbraw/zinc/75/09/69/1040750969.db2.gz OCIWGSCFTKURBW-ICSRJNTNSA-N 2 1 341.524 3.672 20 0 EHADMP c1ncc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000411327078 1040750987 /nfs/dbraw/zinc/75/09/87/1040750987.db2.gz OCIWGSCFTKURBW-ICSRJNTNSA-N 2 1 341.524 3.672 20 0 EHADMP c1ncc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000411327078 1040751000 /nfs/dbraw/zinc/75/10/00/1040751000.db2.gz OCIWGSCFTKURBW-ICSRJNTNSA-N 2 1 341.524 3.672 20 0 EHADMP c1ncc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000411327078 1040751012 /nfs/dbraw/zinc/75/10/12/1040751012.db2.gz OCIWGSCFTKURBW-ICSRJNTNSA-N 2 1 341.524 3.672 20 0 EHADMP COCCC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925664403 1040823554 /nfs/dbraw/zinc/82/35/54/1040823554.db2.gz DIFRLPMRGIMBGY-WMZOPIPTSA-N 2 1 336.907 3.724 20 0 EHADMP C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963866 1040843200 /nfs/dbraw/zinc/84/32/00/1040843200.db2.gz ZUCQNTXVOMCXMQ-HAMDTZRPSA-N 2 1 349.607 3.797 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491056297 1040894381 /nfs/dbraw/zinc/89/43/81/1040894381.db2.gz IVQITOKPDSTRRS-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491056297 1040894399 /nfs/dbraw/zinc/89/43/99/1040894399.db2.gz IVQITOKPDSTRRS-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CC3(C)C)CC2)cs1 ZINC000487301815 1040904412 /nfs/dbraw/zinc/90/44/12/1040904412.db2.gz SLFPFCYKBXLZTL-RHSMWYFYSA-N 2 1 335.561 3.942 20 0 EHADMP CCOC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000555617171 1040924700 /nfs/dbraw/zinc/92/47/00/1040924700.db2.gz ORUBNNBONLRTTB-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP CCOC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000555617171 1040924716 /nfs/dbraw/zinc/92/47/16/1040924716.db2.gz ORUBNNBONLRTTB-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000555619509 1040924825 /nfs/dbraw/zinc/92/48/25/1040924825.db2.gz SZYOUYQSDZNWEF-QIJUGHKUSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000555619509 1040924844 /nfs/dbraw/zinc/92/48/44/1040924844.db2.gz SZYOUYQSDZNWEF-QIJUGHKUSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666993915 1040978445 /nfs/dbraw/zinc/97/84/45/1040978445.db2.gz SOYMMRINJPKNPG-LLVKDONJSA-N 2 1 329.307 3.583 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000065932395 1041103193 /nfs/dbraw/zinc/10/31/93/1041103193.db2.gz ADJBKRVFDPHZKV-UHFFFAOYSA-N 2 1 328.243 3.687 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000570944524 1041122619 /nfs/dbraw/zinc/12/26/19/1041122619.db2.gz QGNKCSWAYHQSAL-WIYYLYMNSA-N 2 1 342.527 3.967 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487878 1041568067 /nfs/dbraw/zinc/56/80/67/1041568067.db2.gz OTSINOBREOVWEH-PMACEKPBSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487878 1041568072 /nfs/dbraw/zinc/56/80/72/1041568072.db2.gz OTSINOBREOVWEH-PMACEKPBSA-N 2 1 330.516 3.692 20 0 EHADMP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000278839578 1041674885 /nfs/dbraw/zinc/67/48/85/1041674885.db2.gz URGCRQHYNBNVLN-LRSLUSHPSA-N 2 1 336.479 3.505 20 0 EHADMP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000278839578 1041674888 /nfs/dbraw/zinc/67/48/88/1041674888.db2.gz URGCRQHYNBNVLN-LRSLUSHPSA-N 2 1 336.479 3.505 20 0 EHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655657 1041757587 /nfs/dbraw/zinc/75/75/87/1041757587.db2.gz PEQVLTHXFJSFTH-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655657 1041757594 /nfs/dbraw/zinc/75/75/94/1041757594.db2.gz PEQVLTHXFJSFTH-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655657 1041757599 /nfs/dbraw/zinc/75/75/99/1041757599.db2.gz PEQVLTHXFJSFTH-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000660655657 1041757605 /nfs/dbraw/zinc/75/76/05/1041757605.db2.gz PEQVLTHXFJSFTH-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP COc1cncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000343877252 1042122570 /nfs/dbraw/zinc/12/25/70/1042122570.db2.gz QWKCTZALSAXLSZ-KRWDZBQOSA-N 2 1 331.504 3.567 20 0 EHADMP c1ccc2oc([C@H]3CCC[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)nc2c1 ZINC000652338607 1042394014 /nfs/dbraw/zinc/39/40/14/1042394014.db2.gz FOVVDQLNBZKYPG-SFHVURJKSA-N 2 1 347.462 3.853 20 0 EHADMP c1ccc2oc([C@@H]3CCC[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)nc2c1 ZINC000652338606 1042394091 /nfs/dbraw/zinc/39/40/91/1042394091.db2.gz FOVVDQLNBZKYPG-GOSISDBHSA-N 2 1 347.462 3.853 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000652350262 1042409367 /nfs/dbraw/zinc/40/93/67/1042409367.db2.gz OPPMUSWJGORFTI-FTUNRGFVSA-N 2 1 334.891 3.546 20 0 EHADMP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355273 1042415611 /nfs/dbraw/zinc/41/56/11/1042415611.db2.gz SSRDZSHWRMDEGD-WMLDXEAASA-N 2 1 345.512 3.768 20 0 EHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355273 1042415615 /nfs/dbraw/zinc/41/56/15/1042415615.db2.gz SSRDZSHWRMDEGD-WMLDXEAASA-N 2 1 345.512 3.768 20 0 EHADMP c1cc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)co1 ZINC000662291975 1042664775 /nfs/dbraw/zinc/66/47/75/1042664775.db2.gz BMFVXLOMVOQKGP-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(-c2ccncc2)c1 ZINC000278863455 1042667269 /nfs/dbraw/zinc/66/72/69/1042667269.db2.gz BEBGWCRGECWINA-IRXDYDNUSA-N 2 1 332.451 3.858 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000161779409 1042684967 /nfs/dbraw/zinc/68/49/67/1042684967.db2.gz JJWNORLARBRJGS-SFHVURJKSA-N 2 1 343.515 3.586 20 0 EHADMP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000631085186 1042881882 /nfs/dbraw/zinc/88/18/82/1042881882.db2.gz HNYZBOZQZVLPKY-JXFKEZNVSA-N 2 1 339.483 3.541 20 0 EHADMP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000631085186 1042881887 /nfs/dbraw/zinc/88/18/87/1042881887.db2.gz HNYZBOZQZVLPKY-JXFKEZNVSA-N 2 1 339.483 3.541 20 0 EHADMP CC(C)COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408888 1043107281 /nfs/dbraw/zinc/10/72/81/1043107281.db2.gz WIUODYYPZYWZIM-OALUTQOASA-N 2 1 348.531 3.873 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)(F)F ZINC000279011245 1043188788 /nfs/dbraw/zinc/18/87/88/1043188788.db2.gz SXGOKSYQTVDABQ-QWHCGFSZSA-N 2 1 339.361 3.695 20 0 EHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344097128 1043238803 /nfs/dbraw/zinc/23/88/03/1043238803.db2.gz IFZGPOMHOGNJOV-SFTDATJTSA-N 2 1 330.516 3.600 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344113973 1043275806 /nfs/dbraw/zinc/27/58/06/1043275806.db2.gz KPCFRUCZWYCRAK-OAQYLSRUSA-N 2 1 329.532 3.535 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCOc4ccccc4)C3)C2)cc1 ZINC000512275856 1044517543 /nfs/dbraw/zinc/51/75/43/1044517543.db2.gz GQABWPUIZJTNOI-JOCHJYFZSA-N 2 1 336.479 3.663 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275856 1044517558 /nfs/dbraw/zinc/51/75/58/1044517558.db2.gz GQABWPUIZJTNOI-JOCHJYFZSA-N 2 1 336.479 3.663 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275856 1044517575 /nfs/dbraw/zinc/51/75/75/1044517575.db2.gz GQABWPUIZJTNOI-JOCHJYFZSA-N 2 1 336.479 3.663 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275856 1044517588 /nfs/dbraw/zinc/51/75/88/1044517588.db2.gz GQABWPUIZJTNOI-JOCHJYFZSA-N 2 1 336.479 3.663 20 0 EHADMP Cc1cc2cc([C@@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)oc2cc1C ZINC000154355771 1125714362 /nfs/dbraw/zinc/71/43/62/1125714362.db2.gz XDLQYKMEXIMMSA-GOSISDBHSA-N 2 1 343.515 3.728 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000155058515 1125781024 /nfs/dbraw/zinc/78/10/24/1125781024.db2.gz SSWIPJQUCJBCAO-AVRDEDQJSA-N 2 1 338.495 3.833 20 0 EHADMP Cc1ccc(COc2ccc(C[NH2+]CCc3c[nH+]cn3C)cc2)cc1 ZINC000623087032 1126873652 /nfs/dbraw/zinc/87/36/52/1126873652.db2.gz YOCXNPMVOTYICN-UHFFFAOYSA-N 2 1 335.451 3.640 20 0 EHADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000343777133 1126888630 /nfs/dbraw/zinc/88/86/30/1126888630.db2.gz XPRKLBHFRGORQU-UZLBHIALSA-N 2 1 329.488 3.532 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000623360428 1126930552 /nfs/dbraw/zinc/93/05/52/1126930552.db2.gz JBHICKDGFIRGCI-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1(C)C ZINC000623387416 1126940282 /nfs/dbraw/zinc/94/02/82/1126940282.db2.gz BPHSSLSINOKJIQ-KRWDZBQOSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1(C)C ZINC000623387416 1126940284 /nfs/dbraw/zinc/94/02/84/1126940284.db2.gz BPHSSLSINOKJIQ-KRWDZBQOSA-N 2 1 325.456 3.836 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000623396030 1126943901 /nfs/dbraw/zinc/94/39/01/1126943901.db2.gz GWUXVBMTHDABEK-ZDUSSCGKSA-N 2 1 330.394 3.676 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000623396030 1126943905 /nfs/dbraw/zinc/94/39/05/1126943905.db2.gz GWUXVBMTHDABEK-ZDUSSCGKSA-N 2 1 330.394 3.676 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@@H]1c1cccs1 ZINC000623429455 1126953802 /nfs/dbraw/zinc/95/38/02/1126953802.db2.gz DNUFLZFZLUOBLT-DNVCBOLYSA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@@H]1c1cccs1 ZINC000623429455 1126953804 /nfs/dbraw/zinc/95/38/04/1126953804.db2.gz DNUFLZFZLUOBLT-DNVCBOLYSA-N 2 1 340.496 3.797 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC(C)C ZINC000623495322 1126967983 /nfs/dbraw/zinc/96/79/83/1126967983.db2.gz ZDWHERZRCDTGLI-LPHOPBHVSA-N 2 1 334.504 3.624 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC(C)C ZINC000623495322 1126967985 /nfs/dbraw/zinc/96/79/85/1126967985.db2.gz ZDWHERZRCDTGLI-LPHOPBHVSA-N 2 1 334.504 3.624 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623533456 1126977285 /nfs/dbraw/zinc/97/72/85/1126977285.db2.gz AMXWYVFOORDYPB-GOEBONIOSA-N 2 1 330.451 3.535 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623533456 1126977286 /nfs/dbraw/zinc/97/72/86/1126977286.db2.gz AMXWYVFOORDYPB-GOEBONIOSA-N 2 1 330.451 3.535 20 0 EHADMP CCOc1c(Cl)cc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654726 1127006078 /nfs/dbraw/zinc/00/60/78/1127006078.db2.gz HGEBQNVJTMVIFL-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654726 1127006081 /nfs/dbraw/zinc/00/60/81/1127006081.db2.gz HGEBQNVJTMVIFL-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654726 1127006084 /nfs/dbraw/zinc/00/60/84/1127006084.db2.gz HGEBQNVJTMVIFL-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760363 1127087290 /nfs/dbraw/zinc/08/72/90/1127087290.db2.gz YZOCSMAGRZPFFD-OAHLLOKOSA-N 2 1 340.471 3.671 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757084 1127115589 /nfs/dbraw/zinc/11/55/89/1127115589.db2.gz NRQIAICQVMWOFV-LSDHHAIUSA-N 2 1 339.886 3.520 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000180633574 1127177513 /nfs/dbraw/zinc/17/75/13/1127177513.db2.gz CDKNFQVFSLHMEQ-GOSISDBHSA-N 2 1 340.515 3.811 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C)ccc1C ZINC000623893478 1127207461 /nfs/dbraw/zinc/20/74/61/1127207461.db2.gz RTFGMUVKOGIDBX-FPOVZHCZSA-N 2 1 330.516 3.988 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000623898855 1127208674 /nfs/dbraw/zinc/20/86/74/1127208674.db2.gz SZLMMWNLHJNHTE-NTZNESFSSA-N 2 1 349.828 3.757 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000623898855 1127208679 /nfs/dbraw/zinc/20/86/79/1127208679.db2.gz SZLMMWNLHJNHTE-NTZNESFSSA-N 2 1 349.828 3.757 20 0 EHADMP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000181481036 1127278758 /nfs/dbraw/zinc/27/87/58/1127278758.db2.gz YVBQIZMBBGJOFQ-HUUCEWRRSA-N 2 1 328.456 3.966 20 0 EHADMP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000181481036 1127278761 /nfs/dbraw/zinc/27/87/61/1127278761.db2.gz YVBQIZMBBGJOFQ-HUUCEWRRSA-N 2 1 328.456 3.966 20 0 EHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000184510936 1127407164 /nfs/dbraw/zinc/40/71/64/1127407164.db2.gz NSRFOMXZRNZVNM-LSDHHAIUSA-N 2 1 339.549 3.556 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921581762 1127756615 /nfs/dbraw/zinc/75/66/15/1127756615.db2.gz NNNYQVIEDSJVCC-GOSISDBHSA-N 2 1 325.456 3.695 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c1 ZINC000921607282 1127760712 /nfs/dbraw/zinc/76/07/12/1127760712.db2.gz NQCOGAKRKRMAJK-QHAWAJNXSA-N 2 1 330.516 3.822 20 0 EHADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000921619808 1127852055 /nfs/dbraw/zinc/85/20/55/1127852055.db2.gz PPFDJRRJITZRCZ-IBGZPJMESA-N 2 1 338.499 3.610 20 0 EHADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921619808 1127852059 /nfs/dbraw/zinc/85/20/59/1127852059.db2.gz PPFDJRRJITZRCZ-IBGZPJMESA-N 2 1 338.499 3.610 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749999 1128202876 /nfs/dbraw/zinc/20/28/76/1128202876.db2.gz FJPUUFMODLSJBJ-CYBMUJFWSA-N 2 1 329.444 3.591 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352794534 1128452136 /nfs/dbraw/zinc/45/21/36/1128452136.db2.gz MPMGXYNYLACQIF-UHFFFAOYSA-N 2 1 345.512 3.597 20 0 EHADMP Clc1ccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166387621 1128453552 /nfs/dbraw/zinc/45/35/52/1128453552.db2.gz VQJQXESDEAJYQM-LSDHHAIUSA-N 2 1 343.298 3.979 20 0 EHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903163706 1128461120 /nfs/dbraw/zinc/46/11/20/1128461120.db2.gz HBQVATIXOIQFRY-KEAPPQJHSA-N 2 1 328.500 3.636 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)C1 ZINC001168619644 1128472764 /nfs/dbraw/zinc/47/27/64/1128472764.db2.gz ZJODKGBQLBKSAM-LVCYWYKZSA-N 2 1 346.515 3.768 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)C1 ZINC001168619644 1128472765 /nfs/dbraw/zinc/47/27/65/1128472765.db2.gz ZJODKGBQLBKSAM-LVCYWYKZSA-N 2 1 346.515 3.768 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303678118 1128687143 /nfs/dbraw/zinc/68/71/43/1128687143.db2.gz IGTOTMAOJFCXAO-RBUKOAKNSA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303678118 1128687144 /nfs/dbraw/zinc/68/71/44/1128687144.db2.gz IGTOTMAOJFCXAO-RBUKOAKNSA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303678118 1128687146 /nfs/dbraw/zinc/68/71/46/1128687146.db2.gz IGTOTMAOJFCXAO-RBUKOAKNSA-N 2 1 338.536 3.696 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000109068623 1120018935 /nfs/dbraw/zinc/01/89/35/1120018935.db2.gz AFGXKXBAGBJWPS-MRXNPFEDSA-N 2 1 340.515 3.559 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137070416 1120147728 /nfs/dbraw/zinc/14/77/28/1120147728.db2.gz QWRCIKIHGKYXJE-UHFFFAOYSA-N 2 1 333.701 3.780 20 0 EHADMP COc1cc(Br)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000190460106 1120639087 /nfs/dbraw/zinc/63/90/87/1120639087.db2.gz SBBPKSFQEDWDNX-JSGCOSHPSA-N 2 1 341.293 3.593 20 0 EHADMP COc1cc(Br)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000190460106 1120639092 /nfs/dbraw/zinc/63/90/92/1120639092.db2.gz SBBPKSFQEDWDNX-JSGCOSHPSA-N 2 1 341.293 3.593 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494643162 1120712048 /nfs/dbraw/zinc/71/20/48/1120712048.db2.gz NWSPTIYBXCWCOB-MWXLCCTBSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378175 1120713122 /nfs/dbraw/zinc/71/31/22/1120713122.db2.gz QXTIXYDJFRDJTB-OALUTQOASA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378175 1120713127 /nfs/dbraw/zinc/71/31/27/1120713127.db2.gz QXTIXYDJFRDJTB-OALUTQOASA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192739732 1120746318 /nfs/dbraw/zinc/74/63/18/1120746318.db2.gz RKDPTORDABRHQA-NRFANRHFSA-N 2 1 331.548 3.732 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000192900991 1120752066 /nfs/dbraw/zinc/75/20/66/1120752066.db2.gz PCBKJLJHGQVYFH-GASCZTMLSA-N 2 1 327.299 3.810 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000192900991 1120752069 /nfs/dbraw/zinc/75/20/69/1120752069.db2.gz PCBKJLJHGQVYFH-GASCZTMLSA-N 2 1 327.299 3.810 20 0 EHADMP C[NH+]1C[C@@H]2C[N@H+](CCCCc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000192900991 1120752073 /nfs/dbraw/zinc/75/20/73/1120752073.db2.gz PCBKJLJHGQVYFH-GASCZTMLSA-N 2 1 327.299 3.810 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193976803 1120813628 /nfs/dbraw/zinc/81/36/28/1120813628.db2.gz JBSGCCWUFNRTDQ-MRXNPFEDSA-N 2 1 334.261 3.621 20 0 EHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000494976312 1120920103 /nfs/dbraw/zinc/92/01/03/1120920103.db2.gz QDXNVLNXINKBOX-AOUGCYQESA-N 2 1 346.490 3.900 20 0 EHADMP C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369783 1121142145 /nfs/dbraw/zinc/14/21/45/1121142145.db2.gz WNQPLYJIDLWNGG-YUKKFIBKSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(Cl)nc1 ZINC000153611187 1121409468 /nfs/dbraw/zinc/40/94/68/1121409468.db2.gz MZZLLRVVAZHDFQ-HZPDHXFCSA-N 2 1 343.902 3.981 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(Cl)c1OC ZINC000237109145 1121474331 /nfs/dbraw/zinc/47/43/31/1121474331.db2.gz PODIHDQDESASAD-UHFFFAOYSA-N 2 1 340.895 3.710 20 0 EHADMP Cc1ccc[nH+]c1N([C@H](C)Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001168501017 1121663666 /nfs/dbraw/zinc/66/36/66/1121663666.db2.gz OHQFQAQFDYVIJE-MRXNPFEDSA-N 2 1 327.447 3.719 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000037318638 1122224811 /nfs/dbraw/zinc/22/48/11/1122224811.db2.gz AQJYXEHTKIEEEJ-NSHDSACASA-N 2 1 341.268 3.866 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000126453742 1122406862 /nfs/dbraw/zinc/40/68/62/1122406862.db2.gz RBIYFIUAWZJCAA-NNMXDRDESA-N 3 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000126453742 1122406863 /nfs/dbraw/zinc/40/68/63/1122406863.db2.gz RBIYFIUAWZJCAA-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000126453742 1122406869 /nfs/dbraw/zinc/40/68/69/1122406869.db2.gz RBIYFIUAWZJCAA-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)c2)CC1 ZINC000126453742 1122406870 /nfs/dbraw/zinc/40/68/70/1122406870.db2.gz RBIYFIUAWZJCAA-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP COCC[N@@H+](CCCn1ccnc1C)Cc1ccc(F)cc1Cl ZINC000127345670 1122478177 /nfs/dbraw/zinc/47/81/77/1122478177.db2.gz MXZCXGLDCLYSTP-UHFFFAOYSA-N 2 1 339.842 3.523 20 0 EHADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128234137 1122540528 /nfs/dbraw/zinc/54/05/28/1122540528.db2.gz CPXFDGIRQSRQLQ-IBGZPJMESA-N 2 1 331.548 3.563 20 0 EHADMP Cc1cc2cc([C@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)oc2cc1C ZINC000128276912 1122548540 /nfs/dbraw/zinc/54/85/40/1122548540.db2.gz PMFWFTSSDNMUQZ-SFHVURJKSA-N 2 1 343.515 3.728 20 0 EHADMP COCc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000128719557 1122654329 /nfs/dbraw/zinc/65/43/29/1122654329.db2.gz BRNRTLZBLTZZPC-RDTXWAMCSA-N 2 1 334.485 3.660 20 0 EHADMP COCc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)o1 ZINC000128719557 1122654332 /nfs/dbraw/zinc/65/43/32/1122654332.db2.gz BRNRTLZBLTZZPC-RDTXWAMCSA-N 2 1 334.485 3.660 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128985201 1122709635 /nfs/dbraw/zinc/70/96/35/1122709635.db2.gz BEQSJPQQMQQBQC-QUCCMNQESA-N 2 1 348.531 3.700 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128985201 1122709638 /nfs/dbraw/zinc/70/96/38/1122709638.db2.gz BEQSJPQQMQQBQC-QUCCMNQESA-N 2 1 348.531 3.700 20 0 EHADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1c(C)cccc1C ZINC000129055106 1122726705 /nfs/dbraw/zinc/72/67/05/1122726705.db2.gz FVFDUHGGZFIMMA-UHFFFAOYSA-N 2 1 342.487 3.549 20 0 EHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1c(C)cccc1C ZINC000129055106 1122726708 /nfs/dbraw/zinc/72/67/08/1122726708.db2.gz FVFDUHGGZFIMMA-UHFFFAOYSA-N 2 1 342.487 3.549 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000556054400 1122796284 /nfs/dbraw/zinc/79/62/84/1122796284.db2.gz HHQURYPXDZBPCF-UGKGYDQZSA-N 2 1 348.494 3.852 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000556054400 1122796286 /nfs/dbraw/zinc/79/62/86/1122796286.db2.gz HHQURYPXDZBPCF-UGKGYDQZSA-N 2 1 348.494 3.852 20 0 EHADMP C[NH+](C)CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000556094026 1122809229 /nfs/dbraw/zinc/80/92/29/1122809229.db2.gz ONFCPBFQSAKMEZ-UFYCRDLUSA-N 2 1 331.548 3.778 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000556094026 1122809235 /nfs/dbraw/zinc/80/92/35/1122809235.db2.gz ONFCPBFQSAKMEZ-UFYCRDLUSA-N 2 1 331.548 3.778 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000498349971 1122879999 /nfs/dbraw/zinc/87/99/99/1122879999.db2.gz NNTKRHKKOUPWBM-VXKWHMMOSA-N 2 1 343.559 3.720 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130123753 1122892040 /nfs/dbraw/zinc/89/20/40/1122892040.db2.gz XMTZSOCRSLPVHG-GOEBONIOSA-N 2 1 336.442 3.587 20 0 EHADMP Cc1nnsc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000638362965 1122895622 /nfs/dbraw/zinc/89/56/22/1122895622.db2.gz HLMPEZWGUZNPCX-AWEZNQCLSA-N 2 1 330.501 3.511 20 0 EHADMP Cc1nnsc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000638362965 1122895625 /nfs/dbraw/zinc/89/56/25/1122895625.db2.gz HLMPEZWGUZNPCX-AWEZNQCLSA-N 2 1 330.501 3.511 20 0 EHADMP C[NH+](C)C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000194732854 1122906114 /nfs/dbraw/zinc/90/61/14/1122906114.db2.gz ZLUGHWBEVPDHIJ-UHFFFAOYSA-N 2 1 330.394 3.500 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113148 1123045876 /nfs/dbraw/zinc/04/58/76/1123045876.db2.gz JDHJCMUNKCTLQC-RYUDHWBXSA-N 2 1 341.268 3.723 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000556858541 1123155497 /nfs/dbraw/zinc/15/54/97/1123155497.db2.gz QVVWQCSCTFSPHO-SOUVJXGZSA-N 2 1 328.378 3.548 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000556868152 1123159145 /nfs/dbraw/zinc/15/91/45/1123159145.db2.gz HWVOZESTEHZTPL-VVDGQQEKSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000556868152 1123159150 /nfs/dbraw/zinc/15/91/50/1123159150.db2.gz HWVOZESTEHZTPL-VVDGQQEKSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000556868152 1123159152 /nfs/dbraw/zinc/15/91/52/1123159152.db2.gz HWVOZESTEHZTPL-VVDGQQEKSA-N 2 1 328.500 3.652 20 0 EHADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000453056993 1129144728 /nfs/dbraw/zinc/14/47/28/1129144728.db2.gz DASNQUTYYWWDDD-PMACEKPBSA-N 2 1 328.500 3.507 20 0 EHADMP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237579049 1123780313 /nfs/dbraw/zinc/78/03/13/1123780313.db2.gz JUPQBZNOQFKAGC-QGZVFWFLSA-N 2 1 328.525 3.976 20 0 EHADMP C[N@@H+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCC1 ZINC000245716073 1123934970 /nfs/dbraw/zinc/93/49/70/1123934970.db2.gz OBDAAODLTMHSLI-QQFNCUIESA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000245716073 1123934971 /nfs/dbraw/zinc/93/49/71/1123934971.db2.gz OBDAAODLTMHSLI-QQFNCUIESA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000245716073 1123934974 /nfs/dbraw/zinc/93/49/74/1123934974.db2.gz OBDAAODLTMHSLI-QQFNCUIESA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245715968 1123935166 /nfs/dbraw/zinc/93/51/66/1123935166.db2.gz NZGBZIVJSZWYGJ-NMIHRBCNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245715968 1123935168 /nfs/dbraw/zinc/93/51/68/1123935168.db2.gz NZGBZIVJSZWYGJ-NMIHRBCNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245715968 1123935170 /nfs/dbraw/zinc/93/51/70/1123935170.db2.gz NZGBZIVJSZWYGJ-NMIHRBCNSA-N 2 1 341.543 3.504 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2COc4ccccc4C2)C3)cc1 ZINC000245720450 1123936226 /nfs/dbraw/zinc/93/62/26/1123936226.db2.gz OSNIHYYMZCGALK-KJJMTIBFSA-N 2 1 348.490 3.775 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098428 1129155027 /nfs/dbraw/zinc/15/50/27/1129155027.db2.gz XUFDBHJGYSTUQX-RYQLBKOJSA-N 2 1 334.529 3.507 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098428 1129155030 /nfs/dbraw/zinc/15/50/30/1129155030.db2.gz XUFDBHJGYSTUQX-RYQLBKOJSA-N 2 1 334.529 3.507 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3ncc(-c4ccccc4)s3)CC[C@H]21 ZINC000245945064 1123987599 /nfs/dbraw/zinc/98/75/99/1123987599.db2.gz NNSCSVUCMSDXBM-DLBZAZTESA-N 2 1 327.497 3.726 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000246024995 1124001731 /nfs/dbraw/zinc/00/17/31/1124001731.db2.gz LWUFKVASWIHEKO-NRFANRHFSA-N 2 1 347.522 3.674 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)[C@H](C)C1 ZINC000247040955 1124582143 /nfs/dbraw/zinc/58/21/43/1124582143.db2.gz OEOLFVGDPOVHIR-XPGWFJOJSA-N 2 1 334.479 3.540 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)[C@@H](C)C1 ZINC000247040975 1124582755 /nfs/dbraw/zinc/58/27/55/1124582755.db2.gz OEOLFVGDPOVHIR-YSSFQJQWSA-N 2 1 334.479 3.540 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247199064 1124593784 /nfs/dbraw/zinc/59/37/84/1124593784.db2.gz WEFXZJZOWPCFBW-HZSPNIEDSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247199064 1124593799 /nfs/dbraw/zinc/59/37/99/1124593799.db2.gz WEFXZJZOWPCFBW-HZSPNIEDSA-N 2 1 330.394 3.545 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000247967023 1124632023 /nfs/dbraw/zinc/63/20/23/1124632023.db2.gz GYSHXRFNSUPJIE-QWFCFKBJSA-N 2 1 331.548 3.968 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999877 1124634139 /nfs/dbraw/zinc/63/41/39/1124634139.db2.gz KGUFBHPXYGQYQU-DNVCBOLYSA-N 2 1 345.874 3.911 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999877 1124634140 /nfs/dbraw/zinc/63/41/40/1124634140.db2.gz KGUFBHPXYGQYQU-DNVCBOLYSA-N 2 1 345.874 3.911 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999877 1124634142 /nfs/dbraw/zinc/63/41/42/1124634142.db2.gz KGUFBHPXYGQYQU-DNVCBOLYSA-N 2 1 345.874 3.911 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999877 1124634145 /nfs/dbraw/zinc/63/41/45/1124634145.db2.gz KGUFBHPXYGQYQU-DNVCBOLYSA-N 2 1 345.874 3.911 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999877 1124634147 /nfs/dbraw/zinc/63/41/47/1124634147.db2.gz KGUFBHPXYGQYQU-DNVCBOLYSA-N 2 1 345.874 3.911 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248394718 1124656302 /nfs/dbraw/zinc/65/63/02/1124656302.db2.gz FUKQKQKHRNXPRP-PWRODBHTSA-N 2 1 344.543 3.675 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2OC)[C@@H](C)C1 ZINC000248638241 1124683768 /nfs/dbraw/zinc/68/37/68/1124683768.db2.gz MCMNYLJSLOAADD-JYJNAYRXSA-N 2 1 340.533 3.544 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2OC)[C@@H](C)C1 ZINC000248638241 1124683770 /nfs/dbraw/zinc/68/37/70/1124683770.db2.gz MCMNYLJSLOAADD-JYJNAYRXSA-N 2 1 340.533 3.544 20 0 EHADMP Brc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000248689025 1124688877 /nfs/dbraw/zinc/68/88/77/1124688877.db2.gz ABKQAAGRGSDJTP-ZBFHGGJFSA-N 2 1 348.288 3.647 20 0 EHADMP COc1ccc(OC)c([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000090586267 1124923329 /nfs/dbraw/zinc/92/33/29/1124923329.db2.gz NAEQJHVHRZQJRR-DLBZAZTESA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000090586267 1124923334 /nfs/dbraw/zinc/92/33/34/1124923334.db2.gz NAEQJHVHRZQJRR-DLBZAZTESA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000090586267 1124923341 /nfs/dbraw/zinc/92/33/41/1124923341.db2.gz NAEQJHVHRZQJRR-DLBZAZTESA-N 2 1 334.504 3.722 20 0 EHADMP CCC[N@H+](Cc1ccc(Br)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836825 1125032675 /nfs/dbraw/zinc/03/26/75/1125032675.db2.gz YIBNXYBFCRKSBN-CQSZACIVSA-N 2 1 325.294 3.579 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000657386546 1129286311 /nfs/dbraw/zinc/28/63/11/1129286311.db2.gz HYLHUURYQPIHKP-QGZVFWFLSA-N 2 1 346.515 3.597 20 0 EHADMP CC(C)Oc1c(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC001205046644 1129359058 /nfs/dbraw/zinc/35/90/58/1129359058.db2.gz GUJXLSZYVDPFOS-UHFFFAOYSA-N 2 1 331.287 3.951 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2c(s1)CCCC2 ZINC000765979871 1129431649 /nfs/dbraw/zinc/43/16/49/1129431649.db2.gz XPZPHMJYWHPFOY-YJBOKZPZSA-N 2 1 348.556 3.921 20 0 EHADMP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H]21 ZINC000657791474 1129484182 /nfs/dbraw/zinc/48/41/82/1129484182.db2.gz SWZKJPFVGGJSSY-BDTNDASRSA-N 2 1 336.454 3.718 20 0 EHADMP C[C@H]([NH2+]CCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543463367 1129499926 /nfs/dbraw/zinc/49/99/26/1129499926.db2.gz KVQBOYJRWLFVGQ-JKSUJKDBSA-N 2 1 336.907 3.961 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499914603 1129567058 /nfs/dbraw/zinc/56/70/58/1129567058.db2.gz UWZPHSFHRLJLSI-AWEZNQCLSA-N 2 1 325.294 3.928 20 0 EHADMP CO[C@]1(C)CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361426205 1129722838 /nfs/dbraw/zinc/72/28/38/1129722838.db2.gz RDSCQIREYOVYJN-XUVXKRRUSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361426205 1129722839 /nfs/dbraw/zinc/72/28/39/1129722839.db2.gz RDSCQIREYOVYJN-XUVXKRRUSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361426205 1129722842 /nfs/dbraw/zinc/72/28/42/1129722842.db2.gz RDSCQIREYOVYJN-XUVXKRRUSA-N 2 1 340.552 3.547 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CCOCC1 ZINC000482978038 1129753235 /nfs/dbraw/zinc/75/32/35/1129753235.db2.gz YTWAMRLWAOVJRR-NRFANRHFSA-N 2 1 344.543 3.878 20 0 EHADMP Cc1cccc(N([C@H]2Cc3cccc(Cl)c3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001168742024 1129840775 /nfs/dbraw/zinc/84/07/75/1129840775.db2.gz BFTABIKUJYOTEG-KRWDZBQOSA-N 2 1 341.886 3.769 20 0 EHADMP C[C@H](c1ccncc1)[NH+](C)CCCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000246429064 1130381920 /nfs/dbraw/zinc/38/19/20/1130381920.db2.gz SRBLSJQNXLELGR-QZTJIDSGSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139198 1130388806 /nfs/dbraw/zinc/38/88/06/1130388806.db2.gz NKIDNLUDAMJJDY-AHRSYUTCSA-N 2 1 344.524 3.598 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139198 1130388810 /nfs/dbraw/zinc/38/88/10/1130388810.db2.gz NKIDNLUDAMJJDY-AHRSYUTCSA-N 2 1 344.524 3.598 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)cc2C)[C@H](C)C1 ZINC000675732625 1130464157 /nfs/dbraw/zinc/46/41/57/1130464157.db2.gz ATGIHPGWAWMQEQ-IRLDBZIGSA-N 2 1 346.559 3.963 20 0 EHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000166621868 1130595508 /nfs/dbraw/zinc/59/55/08/1130595508.db2.gz IWSOWRVGMSBLFB-VWPQPMDRSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000166621868 1130595512 /nfs/dbraw/zinc/59/55/12/1130595512.db2.gz IWSOWRVGMSBLFB-VWPQPMDRSA-N 2 1 335.495 3.890 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000285541513 1130625752 /nfs/dbraw/zinc/62/57/52/1130625752.db2.gz GAGGZZZYVPJBQF-ZACQAIPSSA-N 2 1 326.488 3.738 20 0 EHADMP CC(C)COCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172477318 1131737458 /nfs/dbraw/zinc/73/74/58/1131737458.db2.gz WRNZQMHMUFPOAA-TZIWHRDSSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172477318 1131737462 /nfs/dbraw/zinc/73/74/62/1131737462.db2.gz WRNZQMHMUFPOAA-TZIWHRDSSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172477318 1131737469 /nfs/dbraw/zinc/73/74/69/1131737469.db2.gz WRNZQMHMUFPOAA-TZIWHRDSSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172756717 1131836341 /nfs/dbraw/zinc/83/63/41/1131836341.db2.gz PUGQTJIGCHZGLX-ICSRJNTNSA-N 2 1 346.515 3.609 20 0 EHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172780877 1131845286 /nfs/dbraw/zinc/84/52/86/1131845286.db2.gz UCJXRYIKKPCHOZ-ZAWLATJESA-N 2 1 338.536 3.869 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172844918 1131866668 /nfs/dbraw/zinc/86/66/68/1131866668.db2.gz ZHJNEDPZFCNTAY-MYDTUXCISA-N 2 1 332.491 3.572 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172844918 1131866679 /nfs/dbraw/zinc/86/66/79/1131866679.db2.gz ZHJNEDPZFCNTAY-MYDTUXCISA-N 2 1 332.491 3.572 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172918526 1131904671 /nfs/dbraw/zinc/90/46/71/1131904671.db2.gz RVTLJZHDTNICMJ-JRSUCEMESA-N 2 1 328.500 3.729 20 0 EHADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929198 1131909241 /nfs/dbraw/zinc/90/92/41/1131909241.db2.gz NKLGACVMVQCKAD-MUGJNUQGSA-N 2 1 334.479 3.855 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172939274 1131912651 /nfs/dbraw/zinc/91/26/51/1131912651.db2.gz OYBVYGIEDSHQCI-NHCUHLMSSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173082184 1131961363 /nfs/dbraw/zinc/96/13/63/1131961363.db2.gz JTZMKFWSWHPBPS-CYBMUJFWSA-N 2 1 330.394 3.590 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001173084993 1131962665 /nfs/dbraw/zinc/96/26/65/1131962665.db2.gz FYELGTSYWHBJCU-HIFRSBDPSA-N 2 1 330.394 3.590 20 0 EHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173084576 1131963336 /nfs/dbraw/zinc/96/33/36/1131963336.db2.gz SVZUHWRKJPIJBN-CQSZACIVSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173084576 1131963342 /nfs/dbraw/zinc/96/33/42/1131963342.db2.gz SVZUHWRKJPIJBN-CQSZACIVSA-N 2 1 344.421 3.932 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173085989 1131964100 /nfs/dbraw/zinc/96/41/00/1131964100.db2.gz QBWDGUUSONALJB-CQSZACIVSA-N 2 1 342.405 3.686 20 0 EHADMP CCCOC1CCC(N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173102422 1131967170 /nfs/dbraw/zinc/96/71/70/1131967170.db2.gz NYILGHNLYVDZSC-UHFFFAOYSA-N 2 1 331.504 3.686 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](CCN(C)C)Cc2ccccc2)CC1 ZINC001173108127 1131968992 /nfs/dbraw/zinc/96/89/92/1131968992.db2.gz FAXDFALWDUAUDD-UHFFFAOYSA-N 2 1 331.548 3.703 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC001173107222 1131969166 /nfs/dbraw/zinc/96/91/66/1131969166.db2.gz YVTOVFFTNCAKEX-OFLPRAFFSA-N 2 1 340.552 3.985 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+]CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001173783502 1132147120 /nfs/dbraw/zinc/14/71/20/1132147120.db2.gz ALGZFQRUQGGIRD-LYBXBRPPSA-N 2 1 344.499 3.712 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756203 1132418725 /nfs/dbraw/zinc/41/87/25/1132418725.db2.gz JIWUCQOHMZEKRD-RDJZCZTQSA-N 2 1 338.499 3.681 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756203 1132418732 /nfs/dbraw/zinc/41/87/32/1132418732.db2.gz JIWUCQOHMZEKRD-RDJZCZTQSA-N 2 1 338.499 3.681 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386332201 1132504652 /nfs/dbraw/zinc/50/46/52/1132504652.db2.gz MNMLMRRQLKLNSW-DZFGPLHGSA-N 2 1 335.495 3.959 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cnn1-c1ccccc1 ZINC000766478354 1132557116 /nfs/dbraw/zinc/55/71/16/1132557116.db2.gz ITOSQDAEEGVTID-WDYCEAGBSA-N 2 1 326.488 3.704 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000509455346 1132570448 /nfs/dbraw/zinc/57/04/48/1132570448.db2.gz POJLDEJYVVMLQE-VHTFYLNKSA-N 2 1 335.495 3.985 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000509455346 1132570453 /nfs/dbraw/zinc/57/04/53/1132570453.db2.gz POJLDEJYVVMLQE-VHTFYLNKSA-N 2 1 335.495 3.985 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001169122591 1132664017 /nfs/dbraw/zinc/66/40/17/1132664017.db2.gz ATTIIXJQESDGEE-ZHCJQAHYSA-N 2 1 335.289 3.520 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C3(C(F)(F)F)N=N3)cc1)C2 ZINC001169107811 1132669601 /nfs/dbraw/zinc/66/96/01/1132669601.db2.gz KNXXKALRQAJPQY-QKDCVEJESA-N 2 1 338.377 3.582 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(Br)ccc31)C2 ZINC001169107471 1132670359 /nfs/dbraw/zinc/67/03/59/1132670359.db2.gz HNVWSAABRHDNTJ-PNBKFKSVSA-N 2 1 335.289 3.651 20 0 EHADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Br ZINC001206003685 1132676367 /nfs/dbraw/zinc/67/63/67/1132676367.db2.gz LBRJWMFGKRBFGG-ZIAGYGMSSA-N 2 1 325.294 3.564 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169156443 1132679993 /nfs/dbraw/zinc/67/99/93/1132679993.db2.gz YIULAWMKTUBSNE-YSTOQKLRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169156443 1132679996 /nfs/dbraw/zinc/67/99/96/1132679996.db2.gz YIULAWMKTUBSNE-YSTOQKLRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169156443 1132680001 /nfs/dbraw/zinc/68/00/01/1132680001.db2.gz YIULAWMKTUBSNE-YSTOQKLRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169155195 1132680283 /nfs/dbraw/zinc/68/02/83/1132680283.db2.gz ZNXWLQRIOZKKNL-ZRNYENFQSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169155195 1132680287 /nfs/dbraw/zinc/68/02/87/1132680287.db2.gz ZNXWLQRIOZKKNL-ZRNYENFQSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169155195 1132680290 /nfs/dbraw/zinc/68/02/90/1132680290.db2.gz ZNXWLQRIOZKKNL-ZRNYENFQSA-N 2 1 328.500 3.575 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175505541 1132692486 /nfs/dbraw/zinc/69/24/86/1132692486.db2.gz QYWULZHAHWMKAV-UHFFFAOYSA-N 2 1 333.357 3.724 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505541 1132692492 /nfs/dbraw/zinc/69/24/92/1132692492.db2.gz QYWULZHAHWMKAV-UHFFFAOYSA-N 2 1 333.357 3.724 20 0 EHADMP CC[NH+]1CCC(N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001169253764 1132710300 /nfs/dbraw/zinc/71/03/00/1132710300.db2.gz HYARUWVGAVHWDX-UHFFFAOYSA-N 2 1 347.572 3.520 20 0 EHADMP CCN1CCC([NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC001169253764 1132710305 /nfs/dbraw/zinc/71/03/05/1132710305.db2.gz HYARUWVGAVHWDX-UHFFFAOYSA-N 2 1 347.572 3.520 20 0 EHADMP CCN1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001169253764 1132710311 /nfs/dbraw/zinc/71/03/11/1132710311.db2.gz HYARUWVGAVHWDX-UHFFFAOYSA-N 2 1 347.572 3.520 20 0 EHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206024580 1132889866 /nfs/dbraw/zinc/88/98/66/1132889866.db2.gz KIXZGFZVRZUESQ-STQMWFEESA-N 2 1 343.284 3.703 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000767447787 1133004623 /nfs/dbraw/zinc/00/46/23/1133004623.db2.gz CUIGBQWMYHVPQZ-INIZCTEOSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000767447787 1133004629 /nfs/dbraw/zinc/00/46/29/1133004629.db2.gz CUIGBQWMYHVPQZ-INIZCTEOSA-N 2 1 342.270 3.554 20 0 EHADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001177267760 1133051116 /nfs/dbraw/zinc/05/11/16/1133051116.db2.gz NRRMODNJOYRFKI-KNQAVFIVSA-N 2 1 341.543 3.516 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000067668401 1133064713 /nfs/dbraw/zinc/06/47/13/1133064713.db2.gz NDQBRDISNUWSBE-UHFFFAOYSA-N 2 1 339.483 3.775 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768104410 1133095286 /nfs/dbraw/zinc/09/52/86/1133095286.db2.gz JUUUJDKBBOEWIH-YVWKXTFCSA-N 2 1 328.500 3.776 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000768207322 1133107635 /nfs/dbraw/zinc/10/76/35/1133107635.db2.gz CLTFIRKXYQXNDN-UHFFFAOYSA-N 2 1 334.467 3.566 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000768207322 1133107638 /nfs/dbraw/zinc/10/76/38/1133107638.db2.gz CLTFIRKXYQXNDN-UHFFFAOYSA-N 2 1 334.467 3.566 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2occc2Br)CC1 ZINC000768304486 1133123266 /nfs/dbraw/zinc/12/32/66/1133123266.db2.gz YARZKCJMJXLFMX-UHFFFAOYSA-N 2 1 329.282 3.596 20 0 EHADMP CC1(C)CCC(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001178462554 1133171089 /nfs/dbraw/zinc/17/10/89/1133171089.db2.gz GZDYWGAISVKXLT-FQEVSTJZSA-N 2 1 330.516 3.559 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000069751859 1133277997 /nfs/dbraw/zinc/27/79/97/1133277997.db2.gz HRYNFKRNRFDZFR-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP CC[NH+](CC)CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC001179804979 1133284922 /nfs/dbraw/zinc/28/49/22/1133284922.db2.gz CBIVIINSUKARSA-HBMCJLEFSA-N 2 1 329.532 3.676 20 0 EHADMP Cn1cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001203260655 1133354478 /nfs/dbraw/zinc/35/44/78/1133354478.db2.gz ZPPXREJJFBQPIK-PWIZWCRZSA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001203260655 1133354485 /nfs/dbraw/zinc/35/44/85/1133354485.db2.gz ZPPXREJJFBQPIK-PWIZWCRZSA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001203260655 1133354493 /nfs/dbraw/zinc/35/44/93/1133354493.db2.gz ZPPXREJJFBQPIK-PWIZWCRZSA-N 2 1 343.540 3.819 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000769869161 1133355944 /nfs/dbraw/zinc/35/59/44/1133355944.db2.gz CEJGBHGHUUDJMW-QFBILLFUSA-N 2 1 341.499 3.761 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000769869161 1133355949 /nfs/dbraw/zinc/35/59/49/1133355949.db2.gz CEJGBHGHUUDJMW-QFBILLFUSA-N 2 1 341.499 3.761 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534532 1133498223 /nfs/dbraw/zinc/49/82/23/1133498223.db2.gz MGGRYHJRAKUGQI-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534532 1133498226 /nfs/dbraw/zinc/49/82/26/1133498226.db2.gz MGGRYHJRAKUGQI-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534532 1133498228 /nfs/dbraw/zinc/49/82/28/1133498228.db2.gz MGGRYHJRAKUGQI-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000774264449 1133649352 /nfs/dbraw/zinc/64/93/52/1133649352.db2.gz DHTLDPLRRDGKGV-AMGDKJTDSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000774264449 1133649357 /nfs/dbraw/zinc/64/93/57/1133649357.db2.gz DHTLDPLRRDGKGV-AMGDKJTDSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000774264449 1133649363 /nfs/dbraw/zinc/64/93/63/1133649363.db2.gz DHTLDPLRRDGKGV-AMGDKJTDSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@@H+]1Cc1ccccc1 ZINC000774264449 1133649366 /nfs/dbraw/zinc/64/93/66/1133649366.db2.gz DHTLDPLRRDGKGV-AMGDKJTDSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@H+]1Cc1ccccc1 ZINC000774264449 1133649371 /nfs/dbraw/zinc/64/93/71/1133649371.db2.gz DHTLDPLRRDGKGV-AMGDKJTDSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482880 1133687860 /nfs/dbraw/zinc/68/78/60/1133687860.db2.gz FIHLTWSQMQWHSJ-COPCDDAFSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482880 1133687862 /nfs/dbraw/zinc/68/78/62/1133687862.db2.gz FIHLTWSQMQWHSJ-COPCDDAFSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183788274 1133857497 /nfs/dbraw/zinc/85/74/97/1133857497.db2.gz KXEMPYGQCQGCNP-SXLOBPIMSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]1CCCC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001184364458 1133928270 /nfs/dbraw/zinc/92/82/70/1133928270.db2.gz SUOMNCJQTLJOOK-QFBILLFUSA-N 2 1 338.499 3.977 20 0 EHADMP C[NH+]1CCC(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000788482752 1134138155 /nfs/dbraw/zinc/13/81/55/1134138155.db2.gz NJIVDWFEYUTGHQ-UHFFFAOYSA-N 2 1 345.314 3.520 20 0 EHADMP COC(=O)c1cccc(C[N@@H+]([C@@H]2CC[C@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170119735 1134334109 /nfs/dbraw/zinc/33/41/09/1134334109.db2.gz BVDTYAONHJPSDJ-MVJPYGJCSA-N 2 1 344.499 3.734 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000509454796 1134468173 /nfs/dbraw/zinc/46/81/73/1134468173.db2.gz PFVQOXMVUNDGBF-FQEVSTJZSA-N 2 1 348.494 3.953 20 0 EHADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145581 1134474451 /nfs/dbraw/zinc/47/44/51/1134474451.db2.gz UQBUWCHVQFTGQO-GZSKETOLSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145581 1134474455 /nfs/dbraw/zinc/47/44/55/1134474455.db2.gz UQBUWCHVQFTGQO-GZSKETOLSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145581 1134474458 /nfs/dbraw/zinc/47/44/58/1134474458.db2.gz UQBUWCHVQFTGQO-GZSKETOLSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145581 1134474460 /nfs/dbraw/zinc/47/44/60/1134474460.db2.gz UQBUWCHVQFTGQO-GZSKETOLSA-N 2 1 327.516 3.803 20 0 EHADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190035 1134703190 /nfs/dbraw/zinc/70/31/90/1134703190.db2.gz DNPNSRXGDTZNED-MUGJNUQGSA-N 2 1 346.515 3.725 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCN2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001190456542 1134703576 /nfs/dbraw/zinc/70/35/76/1134703576.db2.gz AZZRLDZUCRYNIX-PMACEKPBSA-N 2 1 335.580 3.552 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC001170194443 1134710698 /nfs/dbraw/zinc/71/06/98/1134710698.db2.gz XLQJKQWEAHQSMV-HZEGPAAWSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001170262396 1134726344 /nfs/dbraw/zinc/72/63/44/1134726344.db2.gz XSAPJAQPECCNPD-OAHLLOKOSA-N 2 1 329.875 3.616 20 0 EHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC001190642286 1134731198 /nfs/dbraw/zinc/73/11/98/1134731198.db2.gz ANCMWXLOVRJLGB-VXKWHMMOSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC001190642286 1134731202 /nfs/dbraw/zinc/73/12/02/1134731202.db2.gz ANCMWXLOVRJLGB-VXKWHMMOSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC001190642286 1134731209 /nfs/dbraw/zinc/73/12/09/1134731209.db2.gz ANCMWXLOVRJLGB-VXKWHMMOSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC001190642286 1134731214 /nfs/dbraw/zinc/73/12/14/1134731214.db2.gz ANCMWXLOVRJLGB-VXKWHMMOSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC001190642286 1134731219 /nfs/dbraw/zinc/73/12/19/1134731219.db2.gz ANCMWXLOVRJLGB-VXKWHMMOSA-N 2 1 344.543 3.914 20 0 EHADMP C[C@H](O)CC[N@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078255 1134789509 /nfs/dbraw/zinc/78/95/09/1134789509.db2.gz RFAUMBOCCXFWQI-SIKLNZKXSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@H](O)CC[N@@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078255 1134789514 /nfs/dbraw/zinc/78/95/14/1134789514.db2.gz RFAUMBOCCXFWQI-SIKLNZKXSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@H](O)CC[NH+](C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078255 1134789518 /nfs/dbraw/zinc/78/95/18/1134789518.db2.gz RFAUMBOCCXFWQI-SIKLNZKXSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@H](O)CC[NH+](C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078255 1134789524 /nfs/dbraw/zinc/78/95/24/1134789524.db2.gz RFAUMBOCCXFWQI-SIKLNZKXSA-N 2 1 340.511 3.605 20 0 EHADMP Cc1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)sc2nc(C)nc(C)c12 ZINC000793338303 1134908084 /nfs/dbraw/zinc/90/80/84/1134908084.db2.gz WHDKOKIZKYUUHS-UHFFFAOYSA-N 2 1 344.528 3.723 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)cc1Br ZINC001205627187 1135120730 /nfs/dbraw/zinc/12/07/30/1135120730.db2.gz NRTXWEOPRVUCDD-WCQYABFASA-N 2 1 343.284 3.703 20 0 EHADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001193637358 1135163304 /nfs/dbraw/zinc/16/33/04/1135163304.db2.gz USIMCUQJXYTJDB-SFHVURJKSA-N 2 1 343.540 3.559 20 0 EHADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001193637358 1135163305 /nfs/dbraw/zinc/16/33/05/1135163305.db2.gz USIMCUQJXYTJDB-SFHVURJKSA-N 2 1 343.540 3.559 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000716732683 1135180443 /nfs/dbraw/zinc/18/04/43/1135180443.db2.gz QIGBKCMCOPLEAZ-FKVLARQCSA-N 2 1 342.527 3.834 20 0 EHADMP CCCC[N@@H+](C[C@H]1COC(C)(C)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545372 1135579810 /nfs/dbraw/zinc/57/98/10/1135579810.db2.gz NNWOJRXXIPWWGQ-INIZCTEOSA-N 2 1 326.525 3.549 20 0 EHADMP Cc1ncsc1CCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196943638 1135632126 /nfs/dbraw/zinc/63/21/26/1135632126.db2.gz ODYHEDPPRPFVFP-GOSISDBHSA-N 2 1 335.561 3.971 20 0 EHADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C)c(C)c1 ZINC001197845178 1135741407 /nfs/dbraw/zinc/74/14/07/1135741407.db2.gz VNXCODZHDMCSMO-UHFFFAOYSA-N 2 1 329.488 3.737 20 0 EHADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C)c(C)c1 ZINC001197845178 1135741409 /nfs/dbraw/zinc/74/14/09/1135741409.db2.gz VNXCODZHDMCSMO-UHFFFAOYSA-N 2 1 329.488 3.737 20 0 EHADMP OCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747531721 1135751876 /nfs/dbraw/zinc/75/18/76/1135751876.db2.gz NGRXEGINKQMWHW-JOCHJYFZSA-N 2 1 344.543 3.917 20 0 EHADMP OCCCCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747531721 1135751877 /nfs/dbraw/zinc/75/18/77/1135751877.db2.gz NGRXEGINKQMWHW-JOCHJYFZSA-N 2 1 344.543 3.917 20 0 EHADMP OCCCCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747531721 1135751880 /nfs/dbraw/zinc/75/18/80/1135751880.db2.gz NGRXEGINKQMWHW-JOCHJYFZSA-N 2 1 344.543 3.917 20 0 EHADMP C[C@@H]1CC[C@@H](C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)O1 ZINC001198203475 1135784657 /nfs/dbraw/zinc/78/46/57/1135784657.db2.gz ZVSUWKNTGZOCTI-QUCCMNQESA-N 2 1 328.500 3.641 20 0 EHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1sc2nc(C)nc(C)c2c1C ZINC000809749673 1135885020 /nfs/dbraw/zinc/88/50/20/1135885020.db2.gz JCYCVUJEQUYSSZ-UHFFFAOYSA-N 2 1 346.544 3.924 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000809766094 1135888375 /nfs/dbraw/zinc/88/83/75/1135888375.db2.gz URCWMHPUGJPNLJ-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000809766094 1135888376 /nfs/dbraw/zinc/88/83/76/1135888376.db2.gz URCWMHPUGJPNLJ-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766094 1135888379 /nfs/dbraw/zinc/88/83/79/1135888379.db2.gz URCWMHPUGJPNLJ-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766094 1135888381 /nfs/dbraw/zinc/88/83/81/1135888381.db2.gz URCWMHPUGJPNLJ-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC001199310546 1135895179 /nfs/dbraw/zinc/89/51/79/1135895179.db2.gz YYZVVCGBVJYVQU-UHFFFAOYSA-N 2 1 327.447 3.888 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC001199336589 1135895999 /nfs/dbraw/zinc/89/59/99/1135895999.db2.gz SCBQDHQUXPUJSM-FXAWDEMLSA-N 2 1 330.516 3.797 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001199639908 1135916961 /nfs/dbraw/zinc/91/69/61/1135916961.db2.gz NIIGYEJYEJLSJA-KIZRIRGWSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001199851426 1135932585 /nfs/dbraw/zinc/93/25/85/1135932585.db2.gz PCYGRJYJZPNWRX-FQEVSTJZSA-N 2 1 345.575 3.855 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605549 1135961476 /nfs/dbraw/zinc/96/14/76/1135961476.db2.gz URJBYJWVEBAQAO-QFIPXVFZSA-N 2 1 341.543 3.590 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605549 1135961478 /nfs/dbraw/zinc/96/14/78/1135961478.db2.gz URJBYJWVEBAQAO-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605549 1135961480 /nfs/dbraw/zinc/96/14/80/1135961480.db2.gz URJBYJWVEBAQAO-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605549 1135961482 /nfs/dbraw/zinc/96/14/82/1135961482.db2.gz URJBYJWVEBAQAO-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605549 1135961484 /nfs/dbraw/zinc/96/14/84/1135961484.db2.gz URJBYJWVEBAQAO-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC001200971363 1135969810 /nfs/dbraw/zinc/96/98/10/1135969810.db2.gz KPLWRIWHDDDPBL-UHFFFAOYSA-N 2 1 326.484 3.819 20 0 EHADMP CC(C)c1[nH+]c(CNCC[C@@H](C)[NH+]2CCCCC2)c2ccccn21 ZINC001201954729 1136077619 /nfs/dbraw/zinc/07/76/19/1136077619.db2.gz SSYYIIDJNFSZJX-QGZVFWFLSA-N 2 1 328.504 3.812 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC001202102272 1136094426 /nfs/dbraw/zinc/09/44/26/1136094426.db2.gz OSRPHFDGWLPLMW-OTWHNJEPSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001202176391 1136105508 /nfs/dbraw/zinc/10/55/08/1136105508.db2.gz PYRFQSVLTTYEFT-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[C@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001202176391 1136105511 /nfs/dbraw/zinc/10/55/11/1136105511.db2.gz PYRFQSVLTTYEFT-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000509465176 1136158890 /nfs/dbraw/zinc/15/88/90/1136158890.db2.gz QLPOKKORNJYBIM-INIZCTEOSA-N 2 1 346.544 3.606 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850533529 1136280337 /nfs/dbraw/zinc/28/03/37/1136280337.db2.gz AWXZLTJPBLDSES-VHSSKADRSA-N 2 1 347.409 3.646 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)c2nccn2C)ccc1OC ZINC000850572681 1136289832 /nfs/dbraw/zinc/28/98/32/1136289832.db2.gz NPDOGILAVDOMRV-JKSUJKDBSA-N 2 1 344.503 3.682 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000813881854 1136372128 /nfs/dbraw/zinc/37/21/28/1136372128.db2.gz WLARBZXTQVEBBY-AMGDKJTDSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881854 1136372131 /nfs/dbraw/zinc/37/21/31/1136372131.db2.gz WLARBZXTQVEBBY-AMGDKJTDSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881854 1136372134 /nfs/dbraw/zinc/37/21/34/1136372134.db2.gz WLARBZXTQVEBBY-AMGDKJTDSA-N 2 1 341.543 3.644 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3C)CC2)nc(C)[nH+]1 ZINC000815586521 1136615040 /nfs/dbraw/zinc/61/50/40/1136615040.db2.gz KWYOCMHUHNAQKG-HNNXBMFYSA-N 2 1 342.462 3.861 20 0 EHADMP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817275727 1136793257 /nfs/dbraw/zinc/79/32/57/1136793257.db2.gz MXXPXMIANNAOMC-UHFFFAOYSA-N 2 1 342.458 3.683 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000429534115 1136797245 /nfs/dbraw/zinc/79/72/45/1136797245.db2.gz YVGWJAYUXVZVLE-OAHLLOKOSA-N 2 1 331.287 3.788 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000429534115 1136797247 /nfs/dbraw/zinc/79/72/47/1136797247.db2.gz YVGWJAYUXVZVLE-OAHLLOKOSA-N 2 1 331.287 3.788 20 0 EHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Br)nc1 ZINC000817943974 1136849781 /nfs/dbraw/zinc/84/97/81/1136849781.db2.gz UEPJGSZQHJTSJT-LBPRGKRZSA-N 2 1 326.282 3.546 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818340504 1136871980 /nfs/dbraw/zinc/87/19/80/1136871980.db2.gz OGICGLCOEKQWFV-ZDUSSCGKSA-N 2 1 326.456 3.965 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc3ccccc3nc1Cl)CC[NH2+]CC2 ZINC000818341232 1136872096 /nfs/dbraw/zinc/87/20/96/1136872096.db2.gz XHFPOVVAOPJUAK-CQSZACIVSA-N 2 1 329.875 3.852 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982447 1136896176 /nfs/dbraw/zinc/89/61/76/1136896176.db2.gz MLMAQIXZABZNKC-RBBKRZOGSA-N 2 1 338.495 3.530 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000819101662 1136908515 /nfs/dbraw/zinc/90/85/15/1136908515.db2.gz XBHNSHAGWQUCJN-POAQFYNOSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000819101662 1136908517 /nfs/dbraw/zinc/90/85/17/1136908517.db2.gz XBHNSHAGWQUCJN-POAQFYNOSA-N 2 1 344.524 3.763 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819078551 1136911378 /nfs/dbraw/zinc/91/13/78/1136911378.db2.gz JQDBCPVDTACUEL-HRAATJIYSA-N 2 1 342.458 3.674 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000858490503 1136973104 /nfs/dbraw/zinc/97/31/04/1136973104.db2.gz IXSQMDCKDDADJL-FUHWJXTLSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000858490503 1136973105 /nfs/dbraw/zinc/97/31/05/1136973105.db2.gz IXSQMDCKDDADJL-FUHWJXTLSA-N 2 1 326.488 3.563 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001170947937 1136994892 /nfs/dbraw/zinc/99/48/92/1136994892.db2.gz ZDZYEKWAFMBQAH-FQEVSTJZSA-N 2 1 338.470 3.937 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000173420313 1137096167 /nfs/dbraw/zinc/09/61/67/1137096167.db2.gz WWPYBXNYYDDKRI-ZRGWGRIASA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000173420313 1137096168 /nfs/dbraw/zinc/09/61/68/1137096168.db2.gz WWPYBXNYYDDKRI-ZRGWGRIASA-N 2 1 340.458 3.752 20 0 EHADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C[C@H](C)O1 ZINC000823553352 1137105735 /nfs/dbraw/zinc/10/57/35/1137105735.db2.gz AZFSTKUWTYBLPC-YRWFTTLQSA-N 2 1 345.531 3.833 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037377 1137122427 /nfs/dbraw/zinc/12/24/27/1137122427.db2.gz LNQOOPBEALPNKM-WBVHZDCISA-N 2 1 345.437 3.750 20 0 EHADMP COCC1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000824332054 1137135170 /nfs/dbraw/zinc/13/51/70/1137135170.db2.gz DOEOJQXGCVLVCF-CBNMVNINSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862290610 1137137499 /nfs/dbraw/zinc/13/74/99/1137137499.db2.gz APCWVDBCPBMIGX-APWZRJJASA-N 2 1 341.474 3.919 20 0 EHADMP C[N@H+]1CC[C@]2(CCN([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089179 1137177847 /nfs/dbraw/zinc/17/78/47/1137177847.db2.gz YQRCQOIMKHMXKM-YJBOKZPZSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089179 1137177849 /nfs/dbraw/zinc/17/78/49/1137177849.db2.gz YQRCQOIMKHMXKM-YJBOKZPZSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089179 1137177851 /nfs/dbraw/zinc/17/78/51/1137177851.db2.gz YQRCQOIMKHMXKM-YJBOKZPZSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794670422 1137222428 /nfs/dbraw/zinc/22/24/28/1137222428.db2.gz LBOATKJOQSOEOC-VSKRKVRLSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794670422 1137222429 /nfs/dbraw/zinc/22/24/29/1137222429.db2.gz LBOATKJOQSOEOC-VSKRKVRLSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001143990514 1137225995 /nfs/dbraw/zinc/22/59/95/1137225995.db2.gz FMMXAEWLWQNIMX-OLZOCXBDSA-N 2 1 332.797 3.742 20 0 EHADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171139303 1137238529 /nfs/dbraw/zinc/23/85/29/1137238529.db2.gz LAZMSGFBNPJKTJ-HUUCEWRRSA-N 2 1 327.299 3.925 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cccnc2F)ccc1OC ZINC000794832721 1137274437 /nfs/dbraw/zinc/27/44/37/1137274437.db2.gz DCRQJCROMAWEPH-OAHLLOKOSA-N 2 1 345.462 3.922 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C4CC4)cn3)cc2)C1 ZINC000865414579 1137281356 /nfs/dbraw/zinc/28/13/56/1137281356.db2.gz UINVSCSREIMUBQ-QGZVFWFLSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C4CC4)cn3)cc2)C1 ZINC000865414579 1137281359 /nfs/dbraw/zinc/28/13/59/1137281359.db2.gz UINVSCSREIMUBQ-QGZVFWFLSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccnc1Br ZINC000865415438 1137281430 /nfs/dbraw/zinc/28/14/30/1137281430.db2.gz MYRAMEVFDCRRAJ-CQSZACIVSA-N 2 1 340.309 3.588 20 0 EHADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865697673 1137305079 /nfs/dbraw/zinc/30/50/79/1137305079.db2.gz BEAURVIMHJYFKK-QYZOEREBSA-N 2 1 325.500 3.716 20 0 EHADMP COc1cc(F)c(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000845969809 1137322112 /nfs/dbraw/zinc/32/21/12/1137322112.db2.gz GKTCWDOHMMRTRQ-UHFFFAOYSA-N 2 1 346.446 3.537 20 0 EHADMP COc1cc(F)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000845969809 1137322114 /nfs/dbraw/zinc/32/21/14/1137322114.db2.gz GKTCWDOHMMRTRQ-UHFFFAOYSA-N 2 1 346.446 3.537 20 0 EHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5cc[nH]c54)C[C@H]3C2)c1 ZINC001144711981 1137333147 /nfs/dbraw/zinc/33/31/47/1137333147.db2.gz GGSZTXGVKBRDGG-ROUUACIJSA-N 2 1 337.492 3.793 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000846218774 1137342142 /nfs/dbraw/zinc/34/21/42/1137342142.db2.gz UYPWQEGVOIXVTO-UHFFFAOYSA-N 2 1 328.504 3.748 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1 ZINC000866426014 1137353862 /nfs/dbraw/zinc/35/38/62/1137353862.db2.gz QNGZIGXZBZKEMI-JKSUJKDBSA-N 2 1 343.471 3.621 20 0 EHADMP CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866453556 1137356105 /nfs/dbraw/zinc/35/61/05/1137356105.db2.gz ZEGCYJZXWHAOJG-QBUWPKIASA-N 2 1 325.500 3.714 20 0 EHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC000846698546 1137362208 /nfs/dbraw/zinc/36/22/08/1137362208.db2.gz IUGLWILUOVNTOJ-MAUKXSAKSA-N 2 1 328.431 3.716 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537423 1137362545 /nfs/dbraw/zinc/36/25/45/1137362545.db2.gz OIGCLYNNOHGDRV-AGOPTVSRSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537423 1137362547 /nfs/dbraw/zinc/36/25/47/1137362547.db2.gz OIGCLYNNOHGDRV-AGOPTVSRSA-N 2 1 342.527 3.549 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000846813527 1137368999 /nfs/dbraw/zinc/36/89/99/1137368999.db2.gz HJPTXWCQVGCGLP-FPOVZHCZSA-N 2 1 341.499 3.721 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000846813527 1137369001 /nfs/dbraw/zinc/36/90/01/1137369001.db2.gz HJPTXWCQVGCGLP-FPOVZHCZSA-N 2 1 341.499 3.721 20 0 EHADMP BrC1(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000846900933 1137374756 /nfs/dbraw/zinc/37/47/56/1137374756.db2.gz YQVGHKXAYIBVFN-QGZVFWFLSA-N 2 1 349.316 3.512 20 0 EHADMP BrC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000846900933 1137374758 /nfs/dbraw/zinc/37/47/58/1137374758.db2.gz YQVGHKXAYIBVFN-QGZVFWFLSA-N 2 1 349.316 3.512 20 0 EHADMP BrC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000846900933 1137374760 /nfs/dbraw/zinc/37/47/60/1137374760.db2.gz YQVGHKXAYIBVFN-QGZVFWFLSA-N 2 1 349.316 3.512 20 0 EHADMP BrC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000846900933 1137374762 /nfs/dbraw/zinc/37/47/62/1137374762.db2.gz YQVGHKXAYIBVFN-QGZVFWFLSA-N 2 1 349.316 3.512 20 0 EHADMP CCc1ccc2c(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)cc(=O)oc2c1 ZINC000866708974 1137374943 /nfs/dbraw/zinc/37/49/43/1137374943.db2.gz UDEAJZBITBPHLN-OAQYLSRUSA-N 2 1 342.483 3.552 20 0 EHADMP C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000772979283 1137399828 /nfs/dbraw/zinc/39/98/28/1137399828.db2.gz IDQIUXOCBVVKAF-VAMGGRTRSA-N 2 1 334.548 3.970 20 0 EHADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2c(CC[NH3+])cc3ccccc32)nc1 ZINC001171301975 1137403166 /nfs/dbraw/zinc/40/31/66/1137403166.db2.gz GMZPVBWZPWOYDE-IBGZPJMESA-N 2 1 334.467 3.684 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@H](C)C1 ZINC000339095010 1137467452 /nfs/dbraw/zinc/46/74/52/1137467452.db2.gz CTGSYGXWTZCWJT-DYESRHJHSA-N 2 1 347.547 3.740 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@H](C)C1 ZINC000339095010 1137467454 /nfs/dbraw/zinc/46/74/54/1137467454.db2.gz CTGSYGXWTZCWJT-DYESRHJHSA-N 2 1 347.547 3.740 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712501001 1137468285 /nfs/dbraw/zinc/46/82/85/1137468285.db2.gz FNMZEKBVJRVDPI-DFQSSKMNSA-N 2 1 328.500 3.588 20 0 EHADMP OC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961327 1137474855 /nfs/dbraw/zinc/47/48/55/1137474855.db2.gz MCYAWQDSGORPHM-SFTDATJTSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961327 1137474857 /nfs/dbraw/zinc/47/48/57/1137474857.db2.gz MCYAWQDSGORPHM-SFTDATJTSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961327 1137474858 /nfs/dbraw/zinc/47/48/58/1137474858.db2.gz MCYAWQDSGORPHM-SFTDATJTSA-N 2 1 342.527 3.668 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000715237198 1137476309 /nfs/dbraw/zinc/47/63/09/1137476309.db2.gz VAVWEUNRRTUVBW-JSFXGIFRSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000715237198 1137476310 /nfs/dbraw/zinc/47/63/10/1137476310.db2.gz VAVWEUNRRTUVBW-JSFXGIFRSA-N 2 1 343.559 3.750 20 0 EHADMP Cc1cccc2c1CC[C@@H]([N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558521 1137497832 /nfs/dbraw/zinc/49/78/32/1137497832.db2.gz KZQUXGVICFCNQP-SFHLNBCPSA-N 2 1 342.527 3.603 20 0 EHADMP C[C@H]1C[C@H](N2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746430 1137508221 /nfs/dbraw/zinc/50/82/21/1137508221.db2.gz NLTHGHNOOGMFCN-UGKGYDQZSA-N 2 1 341.543 3.600 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963884 1137519918 /nfs/dbraw/zinc/51/99/18/1137519918.db2.gz FQSCCCWATNNAMT-NHCUHLMSSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963884 1137519919 /nfs/dbraw/zinc/51/99/19/1137519919.db2.gz FQSCCCWATNNAMT-NHCUHLMSSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963884 1137519921 /nfs/dbraw/zinc/51/99/21/1137519921.db2.gz FQSCCCWATNNAMT-NHCUHLMSSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963884 1137519923 /nfs/dbraw/zinc/51/99/23/1137519923.db2.gz FQSCCCWATNNAMT-NHCUHLMSSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963884 1137519924 /nfs/dbraw/zinc/51/99/24/1137519924.db2.gz FQSCCCWATNNAMT-NHCUHLMSSA-N 2 1 343.559 3.751 20 0 EHADMP CCC1(O)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988821 1137522590 /nfs/dbraw/zinc/52/25/90/1137522590.db2.gz VZCYXXWWUIQRGV-IBGZPJMESA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC(c3cccnc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988946 1137522607 /nfs/dbraw/zinc/52/26/07/1137522607.db2.gz XTOKHSKWOBKECL-OAQYLSRUSA-N 2 1 335.495 3.924 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC(c3cccnc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988946 1137522608 /nfs/dbraw/zinc/52/26/08/1137522608.db2.gz XTOKHSKWOBKECL-OAQYLSRUSA-N 2 1 335.495 3.924 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987720 1137528057 /nfs/dbraw/zinc/52/80/57/1137528057.db2.gz IFHBDAFUGYBVJO-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987720 1137528059 /nfs/dbraw/zinc/52/80/59/1137528059.db2.gz IFHBDAFUGYBVJO-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987720 1137528060 /nfs/dbraw/zinc/52/80/60/1137528060.db2.gz IFHBDAFUGYBVJO-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CCCOCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074077 1137529804 /nfs/dbraw/zinc/52/98/04/1137529804.db2.gz UAVQIBOLUSJODN-MZADTFQBSA-N 2 1 330.516 3.978 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC4(CCO4)CC2)C3)cc1 ZINC001172076499 1137530547 /nfs/dbraw/zinc/53/05/47/1137530547.db2.gz ZYEGEUVXAPHLBX-WKCHPHFGSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC4(CCO4)CC2)C3)cc1 ZINC001172076499 1137530548 /nfs/dbraw/zinc/53/05/48/1137530548.db2.gz ZYEGEUVXAPHLBX-WKCHPHFGSA-N 2 1 340.511 3.827 20 0 EHADMP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083343 1137531669 /nfs/dbraw/zinc/53/16/69/1137531669.db2.gz PIUIDUFRZRLELF-LRSLUSHPSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083343 1137531670 /nfs/dbraw/zinc/53/16/70/1137531670.db2.gz PIUIDUFRZRLELF-LRSLUSHPSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083343 1137531672 /nfs/dbraw/zinc/53/16/72/1137531672.db2.gz PIUIDUFRZRLELF-LRSLUSHPSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083343 1137531674 /nfs/dbraw/zinc/53/16/74/1137531674.db2.gz PIUIDUFRZRLELF-LRSLUSHPSA-N 2 1 342.527 3.929 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCCO2)C3)cc1 ZINC001172062988 1137532857 /nfs/dbraw/zinc/53/28/57/1137532857.db2.gz VCZVRPIHZXETME-PLACYPQZSA-N 2 1 328.500 3.731 20 0 EHADMP CC(C)N(CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061736 1137533039 /nfs/dbraw/zinc/53/30/39/1137533039.db2.gz JIUHUNBOENTKHL-AERCQKQUSA-N 2 1 329.532 3.631 20 0 EHADMP CC(C)[N@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061736 1137533040 /nfs/dbraw/zinc/53/30/40/1137533040.db2.gz JIUHUNBOENTKHL-AERCQKQUSA-N 2 1 329.532 3.631 20 0 EHADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061736 1137533042 /nfs/dbraw/zinc/53/30/42/1137533042.db2.gz JIUHUNBOENTKHL-AERCQKQUSA-N 2 1 329.532 3.631 20 0 EHADMP COC[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067774 1137533947 /nfs/dbraw/zinc/53/39/47/1137533947.db2.gz FOHHJYUWMOJVBA-UWHLTILDSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067774 1137533949 /nfs/dbraw/zinc/53/39/49/1137533949.db2.gz FOHHJYUWMOJVBA-UWHLTILDSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067774 1137533950 /nfs/dbraw/zinc/53/39/50/1137533950.db2.gz FOHHJYUWMOJVBA-UWHLTILDSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067902 1137534227 /nfs/dbraw/zinc/53/42/27/1137534227.db2.gz GIIPOOIHMVNGBL-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067902 1137534228 /nfs/dbraw/zinc/53/42/28/1137534228.db2.gz GIIPOOIHMVNGBL-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067902 1137534230 /nfs/dbraw/zinc/53/42/30/1137534230.db2.gz GIIPOOIHMVNGBL-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067902 1137534231 /nfs/dbraw/zinc/53/42/31/1137534231.db2.gz GIIPOOIHMVNGBL-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP CC[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067824 1137534325 /nfs/dbraw/zinc/53/43/25/1137534325.db2.gz ODPJNDDUHMUTDV-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067824 1137534326 /nfs/dbraw/zinc/53/43/26/1137534326.db2.gz ODPJNDDUHMUTDV-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067824 1137534327 /nfs/dbraw/zinc/53/43/27/1137534327.db2.gz ODPJNDDUHMUTDV-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC001172069792 1137534982 /nfs/dbraw/zinc/53/49/82/1137534982.db2.gz XJDAWMIUDXFSEN-MXEMCNAFSA-N 2 1 330.516 3.833 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125306 1137535130 /nfs/dbraw/zinc/53/51/30/1137535130.db2.gz PGKSAFZHRXWICH-MANSERQUSA-N 2 1 334.504 3.931 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125306 1137535131 /nfs/dbraw/zinc/53/51/31/1137535131.db2.gz PGKSAFZHRXWICH-MANSERQUSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125306 1137535132 /nfs/dbraw/zinc/53/51/32/1137535132.db2.gz PGKSAFZHRXWICH-MANSERQUSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125306 1137535133 /nfs/dbraw/zinc/53/51/33/1137535133.db2.gz PGKSAFZHRXWICH-MANSERQUSA-N 2 1 334.504 3.931 20 0 EHADMP CC[NH+]1CCC(CC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC001172131982 1137535831 /nfs/dbraw/zinc/53/58/31/1137535831.db2.gz ZXSIJLGZDMEVPZ-ZBYYUNFXSA-N 3 1 347.591 3.836 20 0 EHADMP CC[NH+]1CCC(CC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001172131982 1137535833 /nfs/dbraw/zinc/53/58/33/1137535833.db2.gz ZXSIJLGZDMEVPZ-ZBYYUNFXSA-N 3 1 347.591 3.836 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3nccs3)cc1)C2 ZINC001172110275 1137537323 /nfs/dbraw/zinc/53/73/23/1137537323.db2.gz MEMQHZKOFUQZOI-BCDXTJNWSA-N 2 1 327.497 3.915 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001172113790 1137537412 /nfs/dbraw/zinc/53/74/12/1137537412.db2.gz MJVCSKKHBJXFOZ-CWQOZTLDSA-N 2 1 349.316 3.910 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001172113790 1137537414 /nfs/dbraw/zinc/53/74/14/1137537414.db2.gz MJVCSKKHBJXFOZ-CWQOZTLDSA-N 2 1 349.316 3.910 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112296 1137537948 /nfs/dbraw/zinc/53/79/48/1137537948.db2.gz UFOXIVGBVVZCEJ-OSYHSXPHSA-N 2 1 333.564 3.906 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112296 1137537949 /nfs/dbraw/zinc/53/79/49/1137537949.db2.gz UFOXIVGBVVZCEJ-OSYHSXPHSA-N 3 1 333.564 3.906 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112296 1137537950 /nfs/dbraw/zinc/53/79/50/1137537950.db2.gz UFOXIVGBVVZCEJ-OSYHSXPHSA-N 3 1 333.564 3.906 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112296 1137537952 /nfs/dbraw/zinc/53/79/52/1137537952.db2.gz UFOXIVGBVVZCEJ-OSYHSXPHSA-N 3 1 333.564 3.906 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112296 1137537953 /nfs/dbraw/zinc/53/79/53/1137537953.db2.gz UFOXIVGBVVZCEJ-OSYHSXPHSA-N 3 1 333.564 3.906 20 0 EHADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114644 1137538511 /nfs/dbraw/zinc/53/85/11/1137538511.db2.gz OXBDCAYTNXAQOL-XLAORIBOSA-N 2 1 338.536 3.738 20 0 EHADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114644 1137538513 /nfs/dbraw/zinc/53/85/13/1137538513.db2.gz OXBDCAYTNXAQOL-XLAORIBOSA-N 2 1 338.536 3.738 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@H]3C2)cc1 ZINC001172229441 1137542413 /nfs/dbraw/zinc/54/24/13/1137542413.db2.gz MDBRUTIMWGUNCV-INSZXGISSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@H]3C2)cc1 ZINC001172229441 1137542414 /nfs/dbraw/zinc/54/24/14/1137542414.db2.gz MDBRUTIMWGUNCV-INSZXGISSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@H]3C2)cc1 ZINC001172229441 1137542415 /nfs/dbraw/zinc/54/24/15/1137542415.db2.gz MDBRUTIMWGUNCV-INSZXGISSA-N 2 1 340.511 3.540 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172196115 1137543116 /nfs/dbraw/zinc/54/31/16/1137543116.db2.gz FBNISVQVJQPEJE-GOSISDBHSA-N 2 1 342.483 3.793 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(C)(c3ccccc3)CC2)CC1 ZINC001172254859 1137544787 /nfs/dbraw/zinc/54/47/87/1137544787.db2.gz YFAMFUCAKLOXOB-UHFFFAOYSA-N 2 1 330.516 3.541 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172285892 1137547828 /nfs/dbraw/zinc/54/78/28/1137547828.db2.gz VTIDVYFWFMLAQW-ZAWLATJESA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172285892 1137547830 /nfs/dbraw/zinc/54/78/30/1137547830.db2.gz VTIDVYFWFMLAQW-ZAWLATJESA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172285892 1137547831 /nfs/dbraw/zinc/54/78/31/1137547831.db2.gz VTIDVYFWFMLAQW-ZAWLATJESA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4oc(=O)[nH]c4c3)CC2)C1 ZINC000872123920 1137572872 /nfs/dbraw/zinc/57/28/72/1137572872.db2.gz XYLFQYHBNVIONH-WMLDXEAASA-N 2 1 343.471 3.666 20 0 EHADMP COc1cccc(-c2nc(C[N@@H+](C)CCCCCC[NH3+])cs2)c1 ZINC000872155177 1137574011 /nfs/dbraw/zinc/57/40/11/1137574011.db2.gz FSFPOIQDVXYWLN-UHFFFAOYSA-N 2 1 333.501 3.770 20 0 EHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1)C1CCCC1 ZINC000872156049 1137574378 /nfs/dbraw/zinc/57/43/78/1137574378.db2.gz DCSJATDQROSGPN-HOCLYGCPSA-N 2 1 336.442 3.575 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231554 1137594544 /nfs/dbraw/zinc/59/45/44/1137594544.db2.gz OBGYGRRGFRELNN-UHFFFAOYSA-N 2 1 327.472 3.708 20 0 EHADMP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CC1)c1c[nH+]ccc1N ZINC000873281557 1137596344 /nfs/dbraw/zinc/59/63/44/1137596344.db2.gz LEERGAPYATZBTE-GFCCVEGCSA-N 2 1 346.272 3.639 20 0 EHADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000873283042 1137596349 /nfs/dbraw/zinc/59/63/49/1137596349.db2.gz MTBWRNMUFJZBKN-MGPQQGTHSA-N 2 1 347.812 3.764 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CCCCC1 ZINC000876708403 1137659488 /nfs/dbraw/zinc/65/94/88/1137659488.db2.gz PDOTXJMXNDATRH-SAABIXHNSA-N 2 1 343.515 3.907 20 0 EHADMP Fc1cccc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc12 ZINC000876755145 1137660438 /nfs/dbraw/zinc/66/04/38/1137660438.db2.gz KPQLNPVISLVGPU-SFHVURJKSA-N 2 1 327.447 3.824 20 0 EHADMP Fc1cccc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc12 ZINC000876755145 1137660439 /nfs/dbraw/zinc/66/04/39/1137660439.db2.gz KPQLNPVISLVGPU-SFHVURJKSA-N 2 1 327.447 3.824 20 0 EHADMP C[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CS1 ZINC000876865727 1137664167 /nfs/dbraw/zinc/66/41/67/1137664167.db2.gz GEGSLZJQGFGTBS-YJBOKZPZSA-N 2 1 333.545 3.771 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876915939 1137665303 /nfs/dbraw/zinc/66/53/03/1137665303.db2.gz FHUVLJKEJQWPFM-LLVKDONJSA-N 2 1 334.876 3.881 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119862 1137670735 /nfs/dbraw/zinc/67/07/35/1137670735.db2.gz BSPYYARBUWVNIU-DOTOQJQBSA-N 2 1 344.890 3.520 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)O2)cc1 ZINC000878132639 1137703753 /nfs/dbraw/zinc/70/37/53/1137703753.db2.gz ARDHROHIXOEWAJ-TYPHKJRUSA-N 2 1 328.500 3.715 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878157117 1137704891 /nfs/dbraw/zinc/70/48/91/1137704891.db2.gz VSKMEEHXPCZXJB-ILWGZMRPSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878157117 1137704892 /nfs/dbraw/zinc/70/48/92/1137704892.db2.gz VSKMEEHXPCZXJB-ILWGZMRPSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878157117 1137704893 /nfs/dbraw/zinc/70/48/93/1137704893.db2.gz VSKMEEHXPCZXJB-ILWGZMRPSA-N 2 1 342.527 3.961 20 0 EHADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000880476078 1137779885 /nfs/dbraw/zinc/77/98/85/1137779885.db2.gz NGTASQRYUVWAPL-UXHICEINSA-N 2 1 328.500 3.857 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001202611175 1137883470 /nfs/dbraw/zinc/88/34/70/1137883470.db2.gz FTVPYHQWTUQSBF-UYAOXDASSA-N 2 1 331.548 3.750 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001202611175 1137883471 /nfs/dbraw/zinc/88/34/71/1137883471.db2.gz FTVPYHQWTUQSBF-UYAOXDASSA-N 2 1 331.548 3.750 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001202611175 1137883472 /nfs/dbraw/zinc/88/34/72/1137883472.db2.gz FTVPYHQWTUQSBF-UYAOXDASSA-N 2 1 331.548 3.750 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000111241009 1137904063 /nfs/dbraw/zinc/90/40/63/1137904063.db2.gz MUYXVCCGTRRRRB-UHFFFAOYSA-N 2 1 342.483 3.716 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000111241009 1137904064 /nfs/dbraw/zinc/90/40/64/1137904064.db2.gz MUYXVCCGTRRRRB-UHFFFAOYSA-N 2 1 342.483 3.716 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515971 1137913481 /nfs/dbraw/zinc/91/34/81/1137913481.db2.gz MSBLQZFVAHZRGB-IBGZPJMESA-N 2 1 338.495 3.676 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515971 1137913482 /nfs/dbraw/zinc/91/34/82/1137913482.db2.gz MSBLQZFVAHZRGB-IBGZPJMESA-N 2 1 338.495 3.676 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000119728669 1137944093 /nfs/dbraw/zinc/94/40/93/1137944093.db2.gz PYHCWOWRUFKOJB-GFCCVEGCSA-N 2 1 328.378 3.863 20 0 EHADMP CCC1(O)CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886543400 1138093753 /nfs/dbraw/zinc/09/37/53/1138093753.db2.gz OBOFOXVSGWSOOG-OVQOIFFZSA-N 2 1 342.527 3.713 20 0 EHADMP CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OCC1CC1 ZINC000886624868 1138103196 /nfs/dbraw/zinc/10/31/96/1138103196.db2.gz BUPXQMCMKRNFOG-ACRUOGEOSA-N 2 1 342.527 3.834 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000084075595 1138177397 /nfs/dbraw/zinc/17/73/97/1138177397.db2.gz WVGRSZJAGRIYAY-UHFFFAOYSA-N 2 1 349.544 3.767 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000084075595 1138177398 /nfs/dbraw/zinc/17/73/98/1138177398.db2.gz WVGRSZJAGRIYAY-UHFFFAOYSA-N 2 1 349.544 3.767 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CSc2ccccc2OC)[C@H](C)C1 ZINC000089515541 1138200576 /nfs/dbraw/zinc/20/05/76/1138200576.db2.gz SWCBGLGLUHOKRL-ZACQAIPSSA-N 2 1 336.545 3.743 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000089908031 1138207359 /nfs/dbraw/zinc/20/73/59/1138207359.db2.gz JEDBQAKZKDKTFE-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000089908031 1138207361 /nfs/dbraw/zinc/20/73/61/1138207361.db2.gz JEDBQAKZKDKTFE-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908031 1138207362 /nfs/dbraw/zinc/20/73/62/1138207362.db2.gz JEDBQAKZKDKTFE-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908031 1138207365 /nfs/dbraw/zinc/20/73/65/1138207365.db2.gz JEDBQAKZKDKTFE-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)c1 ZINC000091333127 1138218545 /nfs/dbraw/zinc/21/85/45/1138218545.db2.gz FFWUFTXMSXOQIA-MRXNPFEDSA-N 2 1 336.483 3.876 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CCN1C ZINC000093645051 1138239021 /nfs/dbraw/zinc/23/90/21/1138239021.db2.gz ADFJKPBBWCCMCQ-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645051 1138239022 /nfs/dbraw/zinc/23/90/22/1138239022.db2.gz ADFJKPBBWCCMCQ-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645051 1138239023 /nfs/dbraw/zinc/23/90/23/1138239023.db2.gz ADFJKPBBWCCMCQ-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645051 1138239025 /nfs/dbraw/zinc/23/90/25/1138239025.db2.gz ADFJKPBBWCCMCQ-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645051 1138239026 /nfs/dbraw/zinc/23/90/26/1138239026.db2.gz ADFJKPBBWCCMCQ-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645051 1138239027 /nfs/dbraw/zinc/23/90/27/1138239027.db2.gz ADFJKPBBWCCMCQ-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645051 1138239029 /nfs/dbraw/zinc/23/90/29/1138239029.db2.gz ADFJKPBBWCCMCQ-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984653 1138291226 /nfs/dbraw/zinc/29/12/26/1138291226.db2.gz SZFOGORKXMGIRF-QZTJIDSGSA-N 2 1 326.525 3.587 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000126842426 1138340333 /nfs/dbraw/zinc/34/03/33/1138340333.db2.gz BCVQXHRTQFFIRF-CVEARBPZSA-N 2 1 332.517 3.527 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000126842426 1138340334 /nfs/dbraw/zinc/34/03/34/1138340334.db2.gz BCVQXHRTQFFIRF-CVEARBPZSA-N 2 1 332.517 3.527 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000336874853 1138418708 /nfs/dbraw/zinc/41/87/08/1138418708.db2.gz YPUHYSCEGLNUKM-UHFFFAOYSA-N 2 1 326.469 3.681 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000337415419 1138562057 /nfs/dbraw/zinc/56/20/57/1138562057.db2.gz ZDASYLIAWKPHMM-MRXNPFEDSA-N 2 1 345.487 3.518 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000338024004 1138726814 /nfs/dbraw/zinc/72/68/14/1138726814.db2.gz PIZOQLPIBOECIZ-GOSISDBHSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)cc1Br ZINC000136048165 1138782872 /nfs/dbraw/zinc/78/28/72/1138782872.db2.gz FLIOOOJXFQJDBD-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000151108288 1139009538 /nfs/dbraw/zinc/00/95/38/1139009538.db2.gz BBIFAXPKSWZFSG-KRWDZBQOSA-N 2 1 349.950 3.626 20 0 EHADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953322 1139388336 /nfs/dbraw/zinc/38/83/36/1139388336.db2.gz NJZLIVVFACLACK-HNNXBMFYSA-N 2 1 338.442 3.603 20 0 EHADMP COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)oc21 ZINC000181693782 1139925439 /nfs/dbraw/zinc/92/54/39/1139925439.db2.gz NLCYDJVJMYCYOD-KGLIPLIRSA-N 2 1 327.428 3.933 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182273277 1139962469 /nfs/dbraw/zinc/96/24/69/1139962469.db2.gz UONHYPAYWJGBOT-GCJKJVERSA-N 2 1 338.495 3.721 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000182448798 1139973380 /nfs/dbraw/zinc/97/33/80/1139973380.db2.gz PFOHEGRNPHGJDZ-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000182448798 1139973382 /nfs/dbraw/zinc/97/33/82/1139973382.db2.gz PFOHEGRNPHGJDZ-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(F)c3F)CC2)nc(C)[nH+]1 ZINC000183278312 1140026860 /nfs/dbraw/zinc/02/68/60/1140026860.db2.gz LGNRIGIITSGQMY-ZDUSSCGKSA-N 2 1 346.425 3.691 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707747 1140165258 /nfs/dbraw/zinc/16/52/58/1140165258.db2.gz KDKKFVUZYMEVHH-GJZGRUSLSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707747 1140165262 /nfs/dbraw/zinc/16/52/62/1140165262.db2.gz KDKKFVUZYMEVHH-GJZGRUSLSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC000188656684 1140303987 /nfs/dbraw/zinc/30/39/87/1140303987.db2.gz NRDHOBSYPSSGMS-CZUORRHYSA-N 2 1 326.406 3.809 20 0 EHADMP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000268879139 1141016389 /nfs/dbraw/zinc/01/63/89/1141016389.db2.gz CTOWOKAQTBZYEA-UHFFFAOYSA-N 2 1 345.531 3.827 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(CCO)CCCC2)cc1 ZINC000268884920 1141017102 /nfs/dbraw/zinc/01/71/02/1141017102.db2.gz BTVJENNMNLANTL-MRXNPFEDSA-N 2 1 327.472 3.774 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269009992 1141044790 /nfs/dbraw/zinc/04/47/90/1141044790.db2.gz NKCHOCMGAZRHRE-GHTZIAJQSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000269027985 1141049874 /nfs/dbraw/zinc/04/98/74/1141049874.db2.gz SLLCMROXLNNVLW-VQIMIIECSA-N 2 1 343.902 3.920 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000269027985 1141049881 /nfs/dbraw/zinc/04/98/81/1141049881.db2.gz SLLCMROXLNNVLW-VQIMIIECSA-N 2 1 343.902 3.920 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000270512330 1141234167 /nfs/dbraw/zinc/23/41/67/1141234167.db2.gz PRVXTTINIIMTKY-MLZLACJZSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000270512330 1141234169 /nfs/dbraw/zinc/23/41/69/1141234169.db2.gz PRVXTTINIIMTKY-MLZLACJZSA-N 2 1 340.511 3.587 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000271298025 1141341382 /nfs/dbraw/zinc/34/13/82/1141341382.db2.gz OASHVVFPEQHHJZ-UHFFFAOYSA-N 2 1 332.451 3.918 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000271298025 1141341388 /nfs/dbraw/zinc/34/13/88/1141341388.db2.gz OASHVVFPEQHHJZ-UHFFFAOYSA-N 2 1 332.451 3.918 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnccc3C)CC2)oc1C ZINC000271374078 1141353574 /nfs/dbraw/zinc/35/35/74/1141353574.db2.gz HCEDMEKOWHFOBX-INIZCTEOSA-N 2 1 342.487 3.558 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000273910407 1141445543 /nfs/dbraw/zinc/44/55/43/1141445543.db2.gz CNEQDMVLSXZSAU-NRSPTQNISA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000273910407 1141445546 /nfs/dbraw/zinc/44/55/46/1141445546.db2.gz CNEQDMVLSXZSAU-NRSPTQNISA-N 2 1 330.516 3.836 20 0 EHADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348645055 1141561506 /nfs/dbraw/zinc/56/15/06/1141561506.db2.gz OBAFWIUTBNTTPO-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645055 1141561510 /nfs/dbraw/zinc/56/15/10/1141561510.db2.gz OBAFWIUTBNTTPO-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2c1cccc2C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645055 1141561513 /nfs/dbraw/zinc/56/15/13/1141561513.db2.gz OBAFWIUTBNTTPO-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(COC)c1 ZINC000348959915 1141615518 /nfs/dbraw/zinc/61/55/18/1141615518.db2.gz BFSVXPWMPOCYFP-UHFFFAOYSA-N 2 1 326.484 3.917 20 0 EHADMP COc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OCc1ccc(Cl)cc1 ZINC000904449922 1032059155 /nfs/dbraw/zinc/05/91/55/1032059155.db2.gz NCGHREGZXLBSDS-UHFFFAOYSA-N 2 1 346.858 3.509 20 0 EHADMP Fc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904472339 1032071302 /nfs/dbraw/zinc/07/13/02/1032071302.db2.gz FHLOWHDLBFAQHO-IEBWSBKVSA-N 2 1 346.833 3.825 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cnc(CCc3ccccc3)s2)CC[N@H+]1C ZINC000449032082 1032071641 /nfs/dbraw/zinc/07/16/41/1032071641.db2.gz WOQBZJQPTKJMGL-SJLPKXTDSA-N 2 1 343.540 3.843 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339421047 1014386230 /nfs/dbraw/zinc/38/62/30/1014386230.db2.gz DGOFMFXIARWZAB-OAHLLOKOSA-N 2 1 341.434 3.647 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccnn3C3CCCC3)C2)[nH+]1 ZINC000449021534 1032095052 /nfs/dbraw/zinc/09/50/52/1032095052.db2.gz ZTKOTIQGEGJJAQ-KRWDZBQOSA-N 2 1 339.487 3.636 20 0 EHADMP COc1ccccc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449064578 1032111120 /nfs/dbraw/zinc/11/11/20/1032111120.db2.gz VCOJXSXOEFXVFO-GOSISDBHSA-N 2 1 338.495 3.880 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000119733037 1015382201 /nfs/dbraw/zinc/38/22/01/1015382201.db2.gz QCEWKPILVPWNDB-UHFFFAOYSA-N 3 1 329.532 3.637 20 0 EHADMP C[C@H](NC1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865617 1015524388 /nfs/dbraw/zinc/52/43/88/1015524388.db2.gz DUNXLSBHEFUYHM-AZUAARDMSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274865617 1015524398 /nfs/dbraw/zinc/52/43/98/1015524398.db2.gz DUNXLSBHEFUYHM-AZUAARDMSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865617 1015524409 /nfs/dbraw/zinc/52/44/09/1015524409.db2.gz DUNXLSBHEFUYHM-AZUAARDMSA-N 3 1 341.543 3.504 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274954665 1015676058 /nfs/dbraw/zinc/67/60/58/1015676058.db2.gz VSKVOJFHCXJCFF-FTRWYGJKSA-N 2 1 341.499 3.723 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000155122133 1016178991 /nfs/dbraw/zinc/17/89/91/1016178991.db2.gz VIAZZXNNYIBKGW-OTNPHJDUSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000155122133 1016178993 /nfs/dbraw/zinc/17/89/93/1016178993.db2.gz VIAZZXNNYIBKGW-OTNPHJDUSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165321219 1016451488 /nfs/dbraw/zinc/45/14/88/1016451488.db2.gz JMAHAJRZJOLWAX-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165321219 1016451496 /nfs/dbraw/zinc/45/14/96/1016451496.db2.gz JMAHAJRZJOLWAX-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165321219 1016451501 /nfs/dbraw/zinc/45/15/01/1016451501.db2.gz JMAHAJRZJOLWAX-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000377559447 1016461366 /nfs/dbraw/zinc/46/13/66/1016461366.db2.gz CZNLJIZPLILBHU-LMNJBCLMSA-N 2 1 336.479 3.663 20 0 EHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000165985894 1016566249 /nfs/dbraw/zinc/56/62/49/1016566249.db2.gz SMPQXPSZDVTNDQ-FCHUYYIVSA-N 2 1 338.495 3.973 20 0 EHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000165985894 1016566257 /nfs/dbraw/zinc/56/62/57/1016566257.db2.gz SMPQXPSZDVTNDQ-FCHUYYIVSA-N 2 1 338.495 3.973 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653105411 1016674584 /nfs/dbraw/zinc/67/45/84/1016674584.db2.gz URTHBXOXAFXJNQ-KRWDZBQOSA-N 2 1 343.515 3.779 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000167707308 1016781722 /nfs/dbraw/zinc/78/17/22/1016781722.db2.gz UFNAIGOGFRRKJK-MAUKXSAKSA-N 2 1 347.503 3.648 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000449067126 1032150436 /nfs/dbraw/zinc/15/04/36/1032150436.db2.gz IQFNBJIYQSEHQX-UHFFFAOYSA-N 2 1 343.540 3.894 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)nc(C)[nH+]1 ZINC000340258352 1016802716 /nfs/dbraw/zinc/80/27/16/1016802716.db2.gz MTYPKYXPDWTDAR-GOSISDBHSA-N 2 1 328.504 3.765 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000537952525 1016879911 /nfs/dbraw/zinc/87/99/11/1016879911.db2.gz JTAMDWSZNKRLEI-IRXDYDNUSA-N 2 1 343.515 3.590 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000340349943 1017002429 /nfs/dbraw/zinc/00/24/29/1017002429.db2.gz JFFBWUFHTIHBPW-LEWJYISDSA-N 2 1 342.527 3.846 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H]1SC ZINC000459460421 1032161726 /nfs/dbraw/zinc/16/17/26/1032161726.db2.gz HWCOBPMRNBQIBT-OTWHNJEPSA-N 2 1 336.545 3.525 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000449081442 1032172184 /nfs/dbraw/zinc/17/21/84/1032172184.db2.gz FGWHXSQHXVUHPG-RBUKOAKNSA-N 2 1 335.580 3.882 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cc4cccnc4o3)C2)c1 ZINC000449105528 1032183178 /nfs/dbraw/zinc/18/31/78/1032183178.db2.gz IQECFYAELZUSKJ-OAHLLOKOSA-N 2 1 341.480 3.891 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cc4cccnc4o3)C2)c1 ZINC000449105528 1032183181 /nfs/dbraw/zinc/18/31/81/1032183181.db2.gz IQECFYAELZUSKJ-OAHLLOKOSA-N 2 1 341.480 3.891 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643263 1032218160 /nfs/dbraw/zinc/21/81/60/1032218160.db2.gz FRNHYTJPPYKVEG-OJAWGZOXSA-N 2 1 335.495 3.774 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(Br)c1F ZINC000449163847 1032279209 /nfs/dbraw/zinc/27/92/09/1032279209.db2.gz NNBADBDXMYMLNG-UHFFFAOYSA-N 2 1 340.240 3.663 20 0 EHADMP CCC[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000538304834 1032283958 /nfs/dbraw/zinc/28/39/58/1032283958.db2.gz MHQQEZVWJGZULD-IVAOSVALSA-N 2 1 330.516 3.754 20 0 EHADMP C[C@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442957 1032283934 /nfs/dbraw/zinc/28/39/34/1032283934.db2.gz YVTXHJPUZYRKJY-ZFWWWQNUSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442957 1032283943 /nfs/dbraw/zinc/28/39/43/1032283943.db2.gz YVTXHJPUZYRKJY-ZFWWWQNUSA-N 2 1 341.421 3.843 20 0 EHADMP Clc1cccc(N2CCCC2)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459655800 1032379150 /nfs/dbraw/zinc/37/91/50/1032379150.db2.gz FMGPDOVRPMNDRI-UHFFFAOYSA-N 2 1 340.858 3.878 20 0 EHADMP C[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000459744087 1032457558 /nfs/dbraw/zinc/45/75/58/1032457558.db2.gz XRXTXVVKNAGTEU-HUUCEWRRSA-N 2 1 339.321 3.874 20 0 EHADMP CCOc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000459744895 1032458259 /nfs/dbraw/zinc/45/82/59/1032458259.db2.gz YFUGLNFPNOKWSW-CQSZACIVSA-N 2 1 342.430 3.508 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000449373338 1032488894 /nfs/dbraw/zinc/48/88/94/1032488894.db2.gz QGUVLPFCRYOTOQ-UHFFFAOYSA-N 2 1 336.414 3.882 20 0 EHADMP Clc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000449404572 1032527742 /nfs/dbraw/zinc/52/77/42/1032527742.db2.gz VHNCJNPGDYXOPK-STQMWFEESA-N 2 1 329.271 3.589 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090520998 1032582704 /nfs/dbraw/zinc/58/27/04/1032582704.db2.gz PMKGWWNPXBKELU-STZQEDGTSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090520998 1032582711 /nfs/dbraw/zinc/58/27/11/1032582711.db2.gz PMKGWWNPXBKELU-STZQEDGTSA-N 2 1 338.495 3.671 20 0 EHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000537294388 1032602785 /nfs/dbraw/zinc/60/27/85/1032602785.db2.gz CCPDUDRDYUXMCM-QGZVFWFLSA-N 2 1 343.515 3.673 20 0 EHADMP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449505498 1032689510 /nfs/dbraw/zinc/68/95/10/1032689510.db2.gz ZMCIEIYHOSYUIV-RBBKRZOGSA-N 2 1 344.543 3.734 20 0 EHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000574087364 1032697431 /nfs/dbraw/zinc/69/74/31/1032697431.db2.gz YROWEHKIAFVQCO-CVEARBPZSA-N 2 1 343.515 3.744 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000574087364 1032697442 /nfs/dbraw/zinc/69/74/42/1032697442.db2.gz YROWEHKIAFVQCO-CVEARBPZSA-N 2 1 343.515 3.744 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCCn3ccnc32)cc1 ZINC000655690159 1017407333 /nfs/dbraw/zinc/40/73/33/1017407333.db2.gz XSQWDZOYTJNRPD-FXAWDEMLSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655690159 1017407337 /nfs/dbraw/zinc/40/73/37/1017407337.db2.gz XSQWDZOYTJNRPD-FXAWDEMLSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655690159 1017407348 /nfs/dbraw/zinc/40/73/48/1017407348.db2.gz XSQWDZOYTJNRPD-FXAWDEMLSA-N 2 1 338.499 3.882 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655723740 1017459118 /nfs/dbraw/zinc/45/91/18/1017459118.db2.gz PBKQPGGXMRQRFI-UHFFFAOYSA-N 2 1 326.469 3.722 20 0 EHADMP Cc1nc(COc2ccc(C[NH2+][C@H](C[NH3+])C3CCCC3)cc2)cs1 ZINC000415063241 1017490924 /nfs/dbraw/zinc/49/09/24/1017490924.db2.gz HKJDAFFWDUQZQQ-LJQANCHMSA-N 2 1 345.512 3.638 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078204 1017508083 /nfs/dbraw/zinc/50/80/83/1017508083.db2.gz FZLREPOPZISFSP-HSALFYBXSA-N 2 1 328.431 3.596 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000655756147 1017546406 /nfs/dbraw/zinc/54/64/06/1017546406.db2.gz PFZWRCGSSMHWMN-PBHICJAKSA-N 2 1 345.512 3.590 20 0 EHADMP CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655755166 1017546546 /nfs/dbraw/zinc/54/65/46/1017546546.db2.gz RLFXHTDASNNVLN-ONTIZHBOSA-N 2 1 342.527 3.789 20 0 EHADMP Clc1ccc(CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000655767181 1017552638 /nfs/dbraw/zinc/55/26/38/1017552638.db2.gz YTTLIBYUJNPWCB-OAHLLOKOSA-N 2 1 342.936 3.567 20 0 EHADMP CC1(C)CCc2ccccc2[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655764051 1017560580 /nfs/dbraw/zinc/56/05/80/1017560580.db2.gz VGJCGXNSKUROOB-PZJWPPBQSA-N 2 1 342.527 3.933 20 0 EHADMP [NH3+]C1(CNCc2cc3ccccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139941 1017604534 /nfs/dbraw/zinc/60/45/34/1017604534.db2.gz YALVFDFATZHFCS-UHFFFAOYSA-N 2 1 349.478 3.516 20 0 EHADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655848997 1017777250 /nfs/dbraw/zinc/77/72/50/1017777250.db2.gz NSNDLSFRQPKYKA-PDGJWGCVSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848997 1017777263 /nfs/dbraw/zinc/77/72/63/1017777263.db2.gz NSNDLSFRQPKYKA-PDGJWGCVSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848997 1017777276 /nfs/dbraw/zinc/77/72/76/1017777276.db2.gz NSNDLSFRQPKYKA-PDGJWGCVSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848997 1017777290 /nfs/dbraw/zinc/77/72/90/1017777290.db2.gz NSNDLSFRQPKYKA-PDGJWGCVSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848997 1017777297 /nfs/dbraw/zinc/77/72/97/1017777297.db2.gz NSNDLSFRQPKYKA-PDGJWGCVSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000579977558 1017947083 /nfs/dbraw/zinc/94/70/83/1017947083.db2.gz FYYXYHPMVVWNKH-BQFCYCMXSA-N 2 1 338.499 3.592 20 0 EHADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000377617989 1018070585 /nfs/dbraw/zinc/07/05/85/1018070585.db2.gz BLBMEZACSHIYIR-UZLBHIALSA-N 2 1 349.950 3.544 20 0 EHADMP COc1ccc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000893102984 1018498658 /nfs/dbraw/zinc/49/86/58/1018498658.db2.gz JIOWXVRFJWGPLX-IGOJGBNBSA-N 2 1 328.456 3.534 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000610371073 1018546183 /nfs/dbraw/zinc/54/61/83/1018546183.db2.gz LNBRXZHQZGYQQG-OAQYLSRUSA-N 2 1 343.559 3.584 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449550309 1032777345 /nfs/dbraw/zinc/77/73/45/1032777345.db2.gz COKVWSBGDKUDRT-NJYVYQBISA-N 2 1 344.543 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449550309 1032777353 /nfs/dbraw/zinc/77/73/53/1032777353.db2.gz COKVWSBGDKUDRT-NJYVYQBISA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449550309 1032777359 /nfs/dbraw/zinc/77/73/59/1032777359.db2.gz COKVWSBGDKUDRT-NJYVYQBISA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449550309 1032777368 /nfs/dbraw/zinc/77/73/68/1032777368.db2.gz COKVWSBGDKUDRT-NJYVYQBISA-N 2 1 344.543 3.628 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000614385974 1018943468 /nfs/dbraw/zinc/94/34/68/1018943468.db2.gz NDEALHYTHVUFOA-UHFFFAOYSA-N 2 1 334.467 3.760 20 0 EHADMP CN1CCC([N@@H+](Cc2cc(F)c(F)c(F)c2)C2CCCC2)CC1 ZINC001204532045 1018959808 /nfs/dbraw/zinc/95/98/08/1018959808.db2.gz QQKBSDXGAANQTN-UHFFFAOYSA-N 2 1 326.406 3.943 20 0 EHADMP COCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580325337 1019041468 /nfs/dbraw/zinc/04/14/68/1019041468.db2.gz WLJSHMCHAVCBKX-LJQANCHMSA-N 2 1 328.500 3.590 20 0 EHADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580325337 1019041483 /nfs/dbraw/zinc/04/14/83/1019041483.db2.gz WLJSHMCHAVCBKX-LJQANCHMSA-N 2 1 328.500 3.590 20 0 EHADMP Clc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000580326545 1019043445 /nfs/dbraw/zinc/04/34/45/1019043445.db2.gz UCYXOEVCPGDBPQ-GASCZTMLSA-N 2 1 347.915 3.895 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1 ZINC000191595664 1032814218 /nfs/dbraw/zinc/81/42/18/1032814218.db2.gz JZYBKTVHILSQEP-UTKZUKDTSA-N 2 1 349.478 3.743 20 0 EHADMP FC(F)(F)Oc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734659 1019309850 /nfs/dbraw/zinc/30/98/50/1019309850.db2.gz AOBBFWKVZGRQEN-UHFFFAOYSA-N 2 1 328.378 3.551 20 0 EHADMP FC(F)Sc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172650071 1032826029 /nfs/dbraw/zinc/82/60/29/1032826029.db2.gz AFQDOOCSUFVXQS-HNNXBMFYSA-N 2 1 326.456 3.919 20 0 EHADMP FC(F)Sc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172650071 1032826047 /nfs/dbraw/zinc/82/60/47/1032826047.db2.gz AFQDOOCSUFVXQS-HNNXBMFYSA-N 2 1 326.456 3.919 20 0 EHADMP C[N@@H+](CCOc1cccc(C(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513169083 1019357183 /nfs/dbraw/zinc/35/71/83/1019357183.db2.gz ZUAYVCRQCHUUSV-DFNIBXOVSA-N 2 1 330.516 3.920 20 0 EHADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000580446601 1019378644 /nfs/dbraw/zinc/37/86/44/1019378644.db2.gz QGGWDSXDFWCMQF-QGZVFWFLSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@@H]1CC[NH+](CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000580446601 1019378660 /nfs/dbraw/zinc/37/86/60/1019378660.db2.gz QGGWDSXDFWCMQF-QGZVFWFLSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@@H]1CC[NH+](CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000580446601 1019378676 /nfs/dbraw/zinc/37/86/76/1019378676.db2.gz QGGWDSXDFWCMQF-QGZVFWFLSA-N 2 1 343.515 3.731 20 0 EHADMP Cc1ncc(CNCCC[N@@H+]2CCCC[C@@H]2C)n1-c1ccccc1 ZINC000325737224 1032848949 /nfs/dbraw/zinc/84/89/49/1032848949.db2.gz XHSVWFBYYLYNCP-KRWDZBQOSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ncc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n1-c1ccccc1 ZINC000325737224 1032848955 /nfs/dbraw/zinc/84/89/55/1032848955.db2.gz XHSVWFBYYLYNCP-KRWDZBQOSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)n1-c1ccccc1 ZINC000325737224 1032848967 /nfs/dbraw/zinc/84/89/67/1032848967.db2.gz XHSVWFBYYLYNCP-KRWDZBQOSA-N 2 1 326.488 3.535 20 0 EHADMP CC(C)n1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513512052 1019774147 /nfs/dbraw/zinc/77/41/47/1019774147.db2.gz MVHVOGTXQWYCFS-AZUAARDMSA-N 2 1 340.515 3.854 20 0 EHADMP CC[N@H+](Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000345210269 1020063235 /nfs/dbraw/zinc/06/32/35/1020063235.db2.gz RPAAEMYJTPDXRI-AWEZNQCLSA-N 2 1 329.257 3.552 20 0 EHADMP CC[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000345210269 1020063249 /nfs/dbraw/zinc/06/32/49/1020063249.db2.gz RPAAEMYJTPDXRI-AWEZNQCLSA-N 2 1 329.257 3.552 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000155890859 1020165429 /nfs/dbraw/zinc/16/54/29/1020165429.db2.gz CUEHIDZIPYTBKZ-KRWDZBQOSA-N 2 1 343.515 3.637 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000127275284 1020191375 /nfs/dbraw/zinc/19/13/75/1020191375.db2.gz LGJRJDWPUAVLQS-OAHLLOKOSA-N 2 1 330.472 3.863 20 0 EHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@H](C)O1 ZINC000093844163 1032915054 /nfs/dbraw/zinc/91/50/54/1032915054.db2.gz STHGPIQWLGKINM-GASCZTMLSA-N 2 1 340.895 3.644 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@H](C)O1 ZINC000093844163 1032915063 /nfs/dbraw/zinc/91/50/63/1032915063.db2.gz STHGPIQWLGKINM-GASCZTMLSA-N 2 1 340.895 3.644 20 0 EHADMP CCC1CCC([N@@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)CC1 ZINC000501114197 1020716287 /nfs/dbraw/zinc/71/62/87/1020716287.db2.gz CQALQONFITVXMB-UHFFFAOYSA-N 2 1 335.580 3.836 20 0 EHADMP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1OC(C)C ZINC000349406496 1020818367 /nfs/dbraw/zinc/81/83/67/1020818367.db2.gz LQJOWANOIKKKGD-UHFFFAOYSA-N 2 1 331.460 3.509 20 0 EHADMP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1OC(C)C ZINC000349406496 1020818371 /nfs/dbraw/zinc/81/83/71/1020818371.db2.gz LQJOWANOIKKKGD-UHFFFAOYSA-N 2 1 331.460 3.509 20 0 EHADMP Brc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091284521 1020822995 /nfs/dbraw/zinc/82/29/95/1020822995.db2.gz MQUDPTRDNUSGPH-SJCJKPOMSA-N 2 1 335.289 3.510 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000581468695 1020938512 /nfs/dbraw/zinc/93/85/12/1020938512.db2.gz VBUNHZJATHUDES-QYZOEREBSA-N 2 1 332.536 3.691 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179215 1021046969 /nfs/dbraw/zinc/04/69/69/1021046969.db2.gz FXAXDJAJEGIAQZ-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCC1)c1ccccc1 ZINC000153857779 1021075327 /nfs/dbraw/zinc/07/53/27/1021075327.db2.gz RZXKGYRSHUCBRH-OALUTQOASA-N 3 1 343.559 3.970 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000507356338 1021206723 /nfs/dbraw/zinc/20/67/23/1021206723.db2.gz FIQNPTNPKSTUFB-UHFFFAOYSA-N 2 1 344.421 3.932 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000507356338 1021206734 /nfs/dbraw/zinc/20/67/34/1021206734.db2.gz FIQNPTNPKSTUFB-UHFFFAOYSA-N 2 1 344.421 3.932 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167964076 1021248538 /nfs/dbraw/zinc/24/85/38/1021248538.db2.gz MVVLWNTVFLXZFP-FMJMRLDVSA-N 2 1 344.499 3.760 20 0 EHADMP c1coc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000656785554 1021336534 /nfs/dbraw/zinc/33/65/34/1021336534.db2.gz LYFLRDJOQPCIIZ-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP Brc1csc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785522 1021337633 /nfs/dbraw/zinc/33/76/33/1021337633.db2.gz LKBXNUCHVAPSCO-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000187965368 1021429015 /nfs/dbraw/zinc/42/90/15/1021429015.db2.gz WJGBWEHNOBUUMT-SFHVURJKSA-N 2 1 338.499 3.868 20 0 EHADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699539 1021440955 /nfs/dbraw/zinc/44/09/55/1021440955.db2.gz YXYCSOUSYQSDSE-BEFAXECRSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699539 1021440958 /nfs/dbraw/zinc/44/09/58/1021440958.db2.gz YXYCSOUSYQSDSE-BEFAXECRSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699539 1021440961 /nfs/dbraw/zinc/44/09/61/1021440961.db2.gz YXYCSOUSYQSDSE-BEFAXECRSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699539 1021440966 /nfs/dbraw/zinc/44/09/66/1021440966.db2.gz YXYCSOUSYQSDSE-BEFAXECRSA-N 2 1 336.882 3.970 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000164477519 1021446201 /nfs/dbraw/zinc/44/62/01/1021446201.db2.gz PBGOFXCXBUZHTG-KRWDZBQOSA-N 2 1 343.515 3.729 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1O ZINC000426402508 1021484056 /nfs/dbraw/zinc/48/40/56/1021484056.db2.gz CONWSNQRJUSWKY-XLAORIBOSA-N 2 1 348.531 3.678 20 0 EHADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CCCC1 ZINC000390882485 1021503632 /nfs/dbraw/zinc/50/36/32/1021503632.db2.gz VCKBSKZPCRQTAG-KBRMVUAJSA-N 2 1 342.527 3.713 20 0 EHADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000516519534 1021509589 /nfs/dbraw/zinc/50/95/89/1021509589.db2.gz ULRQESLDVJNUOC-CIAFKFPVSA-N 2 1 342.527 3.646 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426418691 1021532513 /nfs/dbraw/zinc/53/25/13/1021532513.db2.gz HWCIGQZQHWHCPD-IRXDYDNUSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426418691 1021532528 /nfs/dbraw/zinc/53/25/28/1021532528.db2.gz HWCIGQZQHWHCPD-IRXDYDNUSA-N 2 1 348.531 3.822 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000390924331 1021564619 /nfs/dbraw/zinc/56/46/19/1021564619.db2.gz YMHNXGZFPTXBEP-LJQANCHMSA-N 2 1 330.516 3.693 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000390924331 1021564635 /nfs/dbraw/zinc/56/46/35/1021564635.db2.gz YMHNXGZFPTXBEP-LJQANCHMSA-N 2 1 330.516 3.693 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000390934487 1021566953 /nfs/dbraw/zinc/56/69/53/1021566953.db2.gz GKRJOCFTSGWZHJ-GOEBONIOSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000390934487 1021566961 /nfs/dbraw/zinc/56/69/61/1021566961.db2.gz GKRJOCFTSGWZHJ-GOEBONIOSA-N 2 1 328.378 3.549 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000516660256 1021635633 /nfs/dbraw/zinc/63/56/33/1021635633.db2.gz SQHIXGGDQNLHPT-NRFANRHFSA-N 2 1 335.451 3.763 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000440704649 1021724758 /nfs/dbraw/zinc/72/47/58/1021724758.db2.gz OGPMJJLUOWAXID-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000440704649 1021724770 /nfs/dbraw/zinc/72/47/70/1021724770.db2.gz OGPMJJLUOWAXID-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000440704649 1021724780 /nfs/dbraw/zinc/72/47/80/1021724780.db2.gz OGPMJJLUOWAXID-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000430659023 1021775356 /nfs/dbraw/zinc/77/53/56/1021775356.db2.gz YMMAMRMMPULQSX-UHFFFAOYSA-N 2 1 330.394 3.548 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000607143483 1033009811 /nfs/dbraw/zinc/00/98/11/1033009811.db2.gz PASUHTUJBXFRTG-ZIAGYGMSSA-N 2 1 347.409 3.605 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)CC1 ZINC000581831190 1021847380 /nfs/dbraw/zinc/84/73/80/1021847380.db2.gz ITSXEXJYYKRNGG-MRXNPFEDSA-N 2 1 337.305 3.613 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564937 1021952233 /nfs/dbraw/zinc/95/22/33/1021952233.db2.gz BEAZIWDIVBXWJB-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564937 1021952240 /nfs/dbraw/zinc/95/22/40/1021952240.db2.gz BEAZIWDIVBXWJB-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cc1 ZINC000262006798 1021973485 /nfs/dbraw/zinc/97/34/85/1021973485.db2.gz LWGHHDNWNKNGEO-SFHVURJKSA-N 2 1 334.423 3.532 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415011837 1022146407 /nfs/dbraw/zinc/14/64/07/1022146407.db2.gz ILOJTDDRVFUCBI-SJORKVTESA-N 2 1 334.467 3.673 20 0 EHADMP FC(F)(F)c1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967551 1022190478 /nfs/dbraw/zinc/19/04/78/1022190478.db2.gz GZKSBIAZEKNAOQ-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP FC(F)(F)c1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967551 1022190490 /nfs/dbraw/zinc/19/04/90/1022190490.db2.gz GZKSBIAZEKNAOQ-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000473918975 1022290830 /nfs/dbraw/zinc/29/08/30/1022290830.db2.gz KLUJYOIERHOMSD-UHFFFAOYSA-N 3 1 329.532 3.635 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000550097152 1022421206 /nfs/dbraw/zinc/42/12/06/1022421206.db2.gz QRQIHWIORJDWNZ-OLMNPRSZSA-N 2 1 349.316 3.523 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000550097152 1022421217 /nfs/dbraw/zinc/42/12/17/1022421217.db2.gz QRQIHWIORJDWNZ-OLMNPRSZSA-N 2 1 349.316 3.523 20 0 EHADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602659503 1033055929 /nfs/dbraw/zinc/05/59/29/1033055929.db2.gz OUJLNMXDRVSJAP-ICSRJNTNSA-N 2 1 344.499 3.678 20 0 EHADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602659503 1033055937 /nfs/dbraw/zinc/05/59/37/1033055937.db2.gz OUJLNMXDRVSJAP-ICSRJNTNSA-N 2 1 344.499 3.678 20 0 EHADMP COc1cccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167974908 1022553477 /nfs/dbraw/zinc/55/34/77/1022553477.db2.gz FCVWIMORAYDYCN-YQQQUEKLSA-N 2 1 326.484 3.679 20 0 EHADMP COc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167974908 1022553482 /nfs/dbraw/zinc/55/34/82/1022553482.db2.gz FCVWIMORAYDYCN-YQQQUEKLSA-N 2 1 326.484 3.679 20 0 EHADMP COc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167974908 1022553491 /nfs/dbraw/zinc/55/34/91/1022553491.db2.gz FCVWIMORAYDYCN-YQQQUEKLSA-N 2 1 326.484 3.679 20 0 EHADMP Cc1ccnc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167975205 1022561854 /nfs/dbraw/zinc/56/18/54/1022561854.db2.gz MDYGZOOMYIDWPX-YQQQUEKLSA-N 2 1 327.516 3.663 20 0 EHADMP Fc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167975178 1022578289 /nfs/dbraw/zinc/57/82/89/1022578289.db2.gz KNDNHWFENRSFPU-IHWFROFDSA-N 2 1 328.475 3.896 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000471852279 1022582110 /nfs/dbraw/zinc/58/21/10/1022582110.db2.gz LPKHAYBZRYXOPD-AZUAARDMSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000471852279 1022582123 /nfs/dbraw/zinc/58/21/23/1022582123.db2.gz LPKHAYBZRYXOPD-AZUAARDMSA-N 2 1 343.902 3.907 20 0 EHADMP c1ccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC2)nc1 ZINC001167975419 1022615301 /nfs/dbraw/zinc/61/53/01/1022615301.db2.gz OVKKXEDRBQBKDZ-SEJPIABJSA-N 2 1 339.527 3.789 20 0 EHADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000414929717 1022655731 /nfs/dbraw/zinc/65/57/31/1022655731.db2.gz OJOZTWCYEYPRBW-QFIPXVFZSA-N 2 1 335.495 3.900 20 0 EHADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414930400 1022666501 /nfs/dbraw/zinc/66/65/01/1022666501.db2.gz ATOHOEKLHAJBFS-JSGCOSHPSA-N 2 1 327.453 3.644 20 0 EHADMP CC1(C)C[N@@H+](C[C@H]2CCCO2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837143 1022700316 /nfs/dbraw/zinc/70/03/16/1022700316.db2.gz GBBNRHSYVVHPHS-NHCUHLMSSA-N 2 1 342.527 3.788 20 0 EHADMP c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC2)nc1 ZINC001167979249 1022743846 /nfs/dbraw/zinc/74/38/46/1022743846.db2.gz YGDCYWWLNQSRFN-IHWFROFDSA-N 2 1 325.500 3.542 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438576664 1022809471 /nfs/dbraw/zinc/80/94/71/1022809471.db2.gz NURUTRMWUHIKIY-FQEVSTJZSA-N 2 1 343.515 3.874 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)[C@H](C)C1 ZINC000188559994 1022826858 /nfs/dbraw/zinc/82/68/58/1022826858.db2.gz FQCNXQLNDVEIGH-KDOFPFPSSA-N 2 1 333.907 3.694 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3CCCF)c2)CCO1 ZINC000510654752 1022836107 /nfs/dbraw/zinc/83/61/07/1022836107.db2.gz BHNRYDIFBZRLLD-QMMLZNLJSA-N 2 1 348.506 3.915 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3CCCF)c2)CCO1 ZINC000510654752 1022836134 /nfs/dbraw/zinc/83/61/34/1022836134.db2.gz BHNRYDIFBZRLLD-QMMLZNLJSA-N 2 1 348.506 3.915 20 0 EHADMP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(F)c1OC ZINC000894767307 1022878632 /nfs/dbraw/zinc/87/86/32/1022878632.db2.gz ZSFVEMVYBQNARS-UHFFFAOYSA-N 2 1 346.446 3.537 20 0 EHADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(F)c1OC ZINC000894767307 1022878649 /nfs/dbraw/zinc/87/86/49/1022878649.db2.gz ZSFVEMVYBQNARS-UHFFFAOYSA-N 2 1 346.446 3.537 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430927060 1022888188 /nfs/dbraw/zinc/88/81/88/1022888188.db2.gz HVPHXFPQTMDKRE-SJORKVTESA-N 2 1 337.467 3.541 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)n1C ZINC000517964935 1022888326 /nfs/dbraw/zinc/88/83/26/1022888326.db2.gz JHFPNGIDMQEKEA-UHFFFAOYSA-N 2 1 340.515 3.783 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1cccs1 ZINC000414943014 1022930333 /nfs/dbraw/zinc/93/03/33/1022930333.db2.gz FBLZPAOGDPHJIR-GOEBONIOSA-N 2 1 346.496 3.566 20 0 EHADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC000091470272 1022946602 /nfs/dbraw/zinc/94/66/02/1022946602.db2.gz PDUCYOBYPDDLDX-MQVJKMGUSA-N 2 1 337.305 3.862 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430961514 1022979997 /nfs/dbraw/zinc/97/99/97/1022979997.db2.gz NZNLYRKEOAJLEW-GQIGUUNPSA-N 2 1 337.467 3.669 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)C1 ZINC000430963641 1022982762 /nfs/dbraw/zinc/98/27/62/1022982762.db2.gz AKOOPRAOWPBHOM-OAHLLOKOSA-N 2 1 329.513 3.975 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)C1 ZINC000430963641 1022982763 /nfs/dbraw/zinc/98/27/63/1022982763.db2.gz AKOOPRAOWPBHOM-OAHLLOKOSA-N 2 1 329.513 3.975 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000414976989 1023229052 /nfs/dbraw/zinc/22/90/52/1023229052.db2.gz JCLNDMYDFLFEFD-GOSISDBHSA-N 2 1 334.467 3.675 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000427120746 1023231115 /nfs/dbraw/zinc/23/11/15/1023231115.db2.gz DZAKOFCOELRVQI-UTKZUKDTSA-N 2 1 342.433 3.781 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000439089104 1023266039 /nfs/dbraw/zinc/26/60/39/1023266039.db2.gz VSKCYGOSVFVQRA-CVEARBPZSA-N 2 1 347.503 3.569 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000439089104 1023266047 /nfs/dbraw/zinc/26/60/47/1023266047.db2.gz VSKCYGOSVFVQRA-CVEARBPZSA-N 2 1 347.503 3.569 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)CC1CC1 ZINC000548489071 1023511012 /nfs/dbraw/zinc/51/10/12/1023511012.db2.gz SVSJVSJHTBVNSL-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)CC1CC1 ZINC000548489071 1023511019 /nfs/dbraw/zinc/51/10/19/1023511019.db2.gz SVSJVSJHTBVNSL-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449741106 1033141212 /nfs/dbraw/zinc/14/12/12/1033141212.db2.gz SNYADBHJRBIUJA-AZUAARDMSA-N 2 1 344.543 3.818 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449760750 1033153018 /nfs/dbraw/zinc/15/30/18/1033153018.db2.gz RCFUAXAIRNBTHJ-GFOJFJKKSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000093062081 1023962679 /nfs/dbraw/zinc/96/26/79/1023962679.db2.gz JTFUHCBNFKVVNL-GOSISDBHSA-N 2 1 340.515 3.689 20 0 EHADMP Clc1cc(Br)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262110978 1024115536 /nfs/dbraw/zinc/11/55/36/1024115536.db2.gz WKJDONJFXATXIG-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCCCCC2)CC1 ZINC000514086886 1024119079 /nfs/dbraw/zinc/11/90/79/1024119079.db2.gz DLQQCAVGCPQNRK-UHFFFAOYSA-N 2 1 343.559 3.895 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@]3(CCOC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168046533 1024136430 /nfs/dbraw/zinc/13/64/30/1024136430.db2.gz NSCZPNJWZCPFKU-WOIUINJBSA-N 2 1 342.527 3.931 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773727 1033191556 /nfs/dbraw/zinc/19/15/56/1033191556.db2.gz NPGPVHOMZSZMNA-APWZRJJASA-N 2 1 336.907 3.677 20 0 EHADMP CC(C)(C)OC(=O)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434670784 1024285835 /nfs/dbraw/zinc/28/58/35/1024285835.db2.gz DTGQEVDYVAITOB-UHFFFAOYSA-N 2 1 347.503 3.521 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414850671 1024304472 /nfs/dbraw/zinc/30/44/72/1024304472.db2.gz ZRHKZKCSECMFRA-AWEZNQCLSA-N 2 1 345.874 3.537 20 0 EHADMP C[C@@H]1C[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024236 1024308848 /nfs/dbraw/zinc/30/88/48/1024308848.db2.gz CRGGAHCUCBVCMH-YHELAOLJSA-N 2 1 349.522 3.991 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000113513324 1024322646 /nfs/dbraw/zinc/32/26/46/1024322646.db2.gz WCLNNWLXGQXFET-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999293 1024374017 /nfs/dbraw/zinc/37/40/17/1024374017.db2.gz FGBHJGMVUWUHBU-DLBZAZTESA-N 2 1 332.488 3.763 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999293 1024374031 /nfs/dbraw/zinc/37/40/31/1024374031.db2.gz FGBHJGMVUWUHBU-DLBZAZTESA-N 2 1 332.488 3.763 20 0 EHADMP Cc1ccc2[nH]c(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000472034269 1024417934 /nfs/dbraw/zinc/41/79/34/1024417934.db2.gz CZSJYBNIAIYASZ-CALCHBBNSA-N 2 1 343.515 3.764 20 0 EHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377330 1024425198 /nfs/dbraw/zinc/42/51/98/1024425198.db2.gz DZQCBMYOEDRAIS-QAPCUYQASA-N 2 1 344.528 3.757 20 0 EHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377330 1024425208 /nfs/dbraw/zinc/42/52/08/1024425208.db2.gz DZQCBMYOEDRAIS-QAPCUYQASA-N 2 1 344.528 3.757 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000474154893 1024450437 /nfs/dbraw/zinc/45/04/37/1024450437.db2.gz AQVCUHCWIPGINP-INIZCTEOSA-N 2 1 347.890 3.825 20 0 EHADMP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090580439 1024453631 /nfs/dbraw/zinc/45/36/31/1024453631.db2.gz CYYNAZBYGCIQIK-RMVXJAJNSA-N 2 1 328.500 3.901 20 0 EHADMP C[C@H](O)CCC[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639112850 1024472136 /nfs/dbraw/zinc/47/21/36/1024472136.db2.gz QUTQRAJRSUPFOS-GHTZIAJQSA-N 2 1 332.532 3.675 20 0 EHADMP Cc1cc(C)c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001167505538 1024505821 /nfs/dbraw/zinc/50/58/21/1024505821.db2.gz UGQPBIMHWHIVLW-NRFANRHFSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001167505538 1024505832 /nfs/dbraw/zinc/50/58/32/1024505832.db2.gz UGQPBIMHWHIVLW-NRFANRHFSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001167505538 1024505841 /nfs/dbraw/zinc/50/58/41/1024505841.db2.gz UGQPBIMHWHIVLW-NRFANRHFSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC001167505538 1024505845 /nfs/dbraw/zinc/50/58/45/1024505845.db2.gz UGQPBIMHWHIVLW-NRFANRHFSA-N 2 1 337.511 3.961 20 0 EHADMP Cc1cc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001167505538 1024505858 /nfs/dbraw/zinc/50/58/58/1024505858.db2.gz UGQPBIMHWHIVLW-NRFANRHFSA-N 2 1 337.511 3.961 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414860016 1024514784 /nfs/dbraw/zinc/51/47/84/1024514784.db2.gz VCNRUDAFKWBLQX-GHMZBOCLSA-N 2 1 331.685 3.580 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000067452995 1024580739 /nfs/dbraw/zinc/58/07/39/1024580739.db2.gz BXRVXKOCCNGUTP-GASCZTMLSA-N 2 1 344.421 3.684 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)c2ccccc2)CC1 ZINC000281077336 1024633339 /nfs/dbraw/zinc/63/33/39/1024633339.db2.gz UEHVQMFACPJNOZ-LZBANZJXSA-N 2 1 338.495 3.753 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000895694458 1024729199 /nfs/dbraw/zinc/72/91/99/1024729199.db2.gz UXSUEQNAKVKRNV-KJJOEJEFSA-N 2 1 330.516 3.549 20 0 EHADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157100503 1024768674 /nfs/dbraw/zinc/76/86/74/1024768674.db2.gz ZMWGFHKSLSIWNA-NRFANRHFSA-N 2 1 330.516 3.586 20 0 EHADMP CC(C)(C)[NH+]1CCC(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000427854531 1024831021 /nfs/dbraw/zinc/83/10/21/1024831021.db2.gz QMLZONNJMXYQOA-JOCHJYFZSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCCO1 ZINC000346562639 1024866227 /nfs/dbraw/zinc/86/62/27/1024866227.db2.gz QQVKCXCATXHMQK-OXJNMPFZSA-N 2 1 328.456 3.569 20 0 EHADMP Cc1ccc(C)c(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435428673 1024915989 /nfs/dbraw/zinc/91/59/89/1024915989.db2.gz SZOAWGITORAUNG-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1ccc(C)c(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435428673 1024915997 /nfs/dbraw/zinc/91/59/97/1024915997.db2.gz SZOAWGITORAUNG-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281349042 1024923979 /nfs/dbraw/zinc/92/39/79/1024923979.db2.gz VEAMXGMLCIZNMT-ATZDWAIDSA-N 2 1 326.488 3.847 20 0 EHADMP C[C@]1(Br)C[C@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000895932010 1024986753 /nfs/dbraw/zinc/98/67/53/1024986753.db2.gz INPFZMKELILFSW-HOCLYGCPSA-N 2 1 329.326 3.500 20 0 EHADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000474470594 1025002256 /nfs/dbraw/zinc/00/22/56/1025002256.db2.gz DZJPTPMJOFTPIU-CTNGQTDRSA-N 2 1 330.516 3.754 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000157654843 1025002364 /nfs/dbraw/zinc/00/23/64/1025002364.db2.gz RMBXSXFJSOMOPA-JLTOFOAXSA-N 2 1 339.414 3.704 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000665256995 1025009187 /nfs/dbraw/zinc/00/91/87/1025009187.db2.gz VFFYQYZXYVZNDH-IPHXSNPTSA-N 2 1 340.467 3.500 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000474473450 1025025683 /nfs/dbraw/zinc/02/56/83/1025025683.db2.gz PTEQNBANNSIYGQ-KRWDZBQOSA-N 2 1 346.515 3.740 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281438496 1025049759 /nfs/dbraw/zinc/04/97/59/1025049759.db2.gz RYJYTYYSXSGQQS-XLIONFOSSA-N 2 1 340.515 3.773 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000657314462 1025064663 /nfs/dbraw/zinc/06/46/63/1025064663.db2.gz WQFXGLTYDYMWEG-CABCVRRESA-N 2 1 349.272 3.912 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000657314462 1025064675 /nfs/dbraw/zinc/06/46/75/1025064675.db2.gz WQFXGLTYDYMWEG-CABCVRRESA-N 2 1 349.272 3.912 20 0 EHADMP C[C@H](C[NH+]1CCCC1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012411 1025108668 /nfs/dbraw/zinc/10/86/68/1025108668.db2.gz ZPSFODKVDPDAHH-WERVVEIQSA-N 2 1 329.532 3.502 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3scnc3C)cc2)C1 ZINC000657325653 1025187173 /nfs/dbraw/zinc/18/71/73/1025187173.db2.gz PAYONWMRKVPUFT-QGZVFWFLSA-N 2 1 329.513 3.940 20 0 EHADMP C[C@H]1CC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013473 1025194931 /nfs/dbraw/zinc/19/49/31/1025194931.db2.gz HVOSUPXYQSYFAJ-BVKOHWRASA-N 2 1 341.543 3.643 20 0 EHADMP CC(C)Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC001168284900 1033268803 /nfs/dbraw/zinc/26/88/03/1033268803.db2.gz PHKYOJYHNOKJJN-QHAWAJNXSA-N 2 1 330.516 3.569 20 0 EHADMP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000346869646 1025264468 /nfs/dbraw/zinc/26/44/68/1025264468.db2.gz GRJPXFJCSXXPMF-UHFFFAOYSA-N 2 1 340.471 3.632 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000346869646 1025264479 /nfs/dbraw/zinc/26/44/79/1025264479.db2.gz GRJPXFJCSXXPMF-UHFFFAOYSA-N 2 1 340.471 3.632 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657337073 1025271259 /nfs/dbraw/zinc/27/12/59/1025271259.db2.gz HLMBPYUARGHFJL-QGZVFWFLSA-N 2 1 343.446 3.835 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657337073 1025271272 /nfs/dbraw/zinc/27/12/72/1025271272.db2.gz HLMBPYUARGHFJL-QGZVFWFLSA-N 2 1 343.446 3.835 20 0 EHADMP COCc1c(C)cc(C)c(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1C ZINC000897978681 1033274806 /nfs/dbraw/zinc/27/48/06/1033274806.db2.gz SYRNOHRTRYMQRE-UHFFFAOYSA-N 2 1 330.516 3.865 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040977 1025342932 /nfs/dbraw/zinc/34/29/32/1025342932.db2.gz PQESUGKGDMMEHG-HATOLVCRSA-N 2 1 341.543 3.598 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925132720 1025353521 /nfs/dbraw/zinc/35/35/21/1025353521.db2.gz BHSBRZXQJNDWQI-DWRORGKVSA-N 2 1 336.545 3.782 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925132720 1025353533 /nfs/dbraw/zinc/35/35/33/1025353533.db2.gz BHSBRZXQJNDWQI-DWRORGKVSA-N 2 1 336.545 3.782 20 0 EHADMP CC(C)[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000474728057 1025391514 /nfs/dbraw/zinc/39/15/14/1025391514.db2.gz SRXWPGKHUKSWAZ-FQEVSTJZSA-N 2 1 330.516 3.661 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000281705121 1025395979 /nfs/dbraw/zinc/39/59/79/1025395979.db2.gz OBMJFNJDORGCBL-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000281705121 1025395993 /nfs/dbraw/zinc/39/59/93/1025395993.db2.gz OBMJFNJDORGCBL-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnccc2OC)CC1)CC(C)C ZINC000347008826 1025404847 /nfs/dbraw/zinc/40/48/47/1025404847.db2.gz JCDGUFFUGLUDJJ-UHFFFAOYSA-N 2 1 333.520 3.670 20 0 EHADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000474799456 1025480378 /nfs/dbraw/zinc/48/03/78/1025480378.db2.gz CUMHYCMWTKPVQS-XMSQKQJNSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000474799456 1025480386 /nfs/dbraw/zinc/48/03/86/1025480386.db2.gz CUMHYCMWTKPVQS-XMSQKQJNSA-N 2 1 337.511 3.823 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(OC)c1 ZINC000530217883 1025513473 /nfs/dbraw/zinc/51/34/73/1025513473.db2.gz IPHWQPLITJLXNC-VPWXQRGCSA-N 2 1 340.467 3.848 20 0 EHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000474814868 1025525199 /nfs/dbraw/zinc/52/51/99/1025525199.db2.gz HAYNNFFRAPABHI-TWFHAPMSSA-N 2 1 330.516 3.548 20 0 EHADMP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000436287705 1025536201 /nfs/dbraw/zinc/53/62/01/1025536201.db2.gz JTHVETFMWMXMCI-HXUWFJFHSA-N 2 1 330.516 3.527 20 0 EHADMP CCCCc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442878467 1025557286 /nfs/dbraw/zinc/55/72/86/1025557286.db2.gz YZMJBGXLVAOMOS-GOSISDBHSA-N 2 1 331.548 3.706 20 0 EHADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1F ZINC000442888637 1025570969 /nfs/dbraw/zinc/57/09/69/1025570969.db2.gz GUQVTHILNGYLMH-INIZCTEOSA-N 2 1 341.902 3.546 20 0 EHADMP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442918637 1025597812 /nfs/dbraw/zinc/59/78/12/1025597812.db2.gz HQUCIXKXXBSUCL-CQSZACIVSA-N 2 1 340.895 3.698 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299323 1025598113 /nfs/dbraw/zinc/59/81/13/1025598113.db2.gz KMJNHEMGDFGFDK-NZSAHSFTSA-N 2 1 338.499 3.760 20 0 EHADMP CC(C)C[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168043571 1025654098 /nfs/dbraw/zinc/65/40/98/1025654098.db2.gz CREHNLOKLKVIBS-VTYHHJSWSA-N 2 1 343.559 3.702 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347194502 1025660842 /nfs/dbraw/zinc/66/08/42/1025660842.db2.gz GYSXYNHPZHRNDA-WMZOPIPTSA-N 2 1 342.458 3.964 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374624 1025683978 /nfs/dbraw/zinc/68/39/78/1025683978.db2.gz OIOGANHUWUUKGA-YJBOKZPZSA-N 2 1 332.517 3.527 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374624 1025683987 /nfs/dbraw/zinc/68/39/87/1025683987.db2.gz OIOGANHUWUUKGA-YJBOKZPZSA-N 2 1 332.517 3.527 20 0 EHADMP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000521942562 1025812731 /nfs/dbraw/zinc/81/27/31/1025812731.db2.gz RFBSJYPDKHCIDS-MRXNPFEDSA-N 2 1 336.907 3.902 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122010759 1026150569 /nfs/dbraw/zinc/15/05/69/1026150569.db2.gz PSYSXUSIXPRBNG-OAHLLOKOSA-N 2 1 332.492 3.596 20 0 EHADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000154434859 1026279881 /nfs/dbraw/zinc/27/98/81/1026279881.db2.gz MNZQCUHVNIZLRM-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000582456162 1026316447 /nfs/dbraw/zinc/31/64/47/1026316447.db2.gz DXSZNNCJXIBSJZ-SESVDKBCSA-N 2 1 330.516 3.693 20 0 EHADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000475291925 1026436364 /nfs/dbraw/zinc/43/63/64/1026436364.db2.gz QPLNIWOWUPZSSE-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620375 1026477551 /nfs/dbraw/zinc/47/75/51/1026477551.db2.gz WVUOULXHTMRRQL-PKOBYXMFSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620375 1026477555 /nfs/dbraw/zinc/47/75/55/1026477555.db2.gz WVUOULXHTMRRQL-PKOBYXMFSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620375 1026477558 /nfs/dbraw/zinc/47/75/58/1026477558.db2.gz WVUOULXHTMRRQL-PKOBYXMFSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620375 1026477563 /nfs/dbraw/zinc/47/75/63/1026477563.db2.gz WVUOULXHTMRRQL-PKOBYXMFSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCOC(C)(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063321 1026562045 /nfs/dbraw/zinc/56/20/45/1026562045.db2.gz MUVINIHAYJMIBX-OPVJXMOQSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCOC(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063321 1026562051 /nfs/dbraw/zinc/56/20/51/1026562051.db2.gz MUVINIHAYJMIBX-OPVJXMOQSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063321 1026562052 /nfs/dbraw/zinc/56/20/52/1026562052.db2.gz MUVINIHAYJMIBX-OPVJXMOQSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063321 1026562060 /nfs/dbraw/zinc/56/20/60/1026562060.db2.gz MUVINIHAYJMIBX-OPVJXMOQSA-N 2 1 330.516 3.929 20 0 EHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000122775648 1026726043 /nfs/dbraw/zinc/72/60/43/1026726043.db2.gz QMHOFSZNRZHBER-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000122775648 1026726053 /nfs/dbraw/zinc/72/60/53/1026726053.db2.gz QMHOFSZNRZHBER-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000122775648 1026726088 /nfs/dbraw/zinc/72/60/88/1026726088.db2.gz QMHOFSZNRZHBER-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000122775648 1026726104 /nfs/dbraw/zinc/72/61/04/1026726104.db2.gz QMHOFSZNRZHBER-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378167 1026842342 /nfs/dbraw/zinc/84/23/42/1026842342.db2.gz DDHFJWMIGGFMRL-CJNGLKHVSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378167 1026842351 /nfs/dbraw/zinc/84/23/51/1026842351.db2.gz DDHFJWMIGGFMRL-CJNGLKHVSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378167 1026842362 /nfs/dbraw/zinc/84/23/62/1026842362.db2.gz DDHFJWMIGGFMRL-CJNGLKHVSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378167 1026842373 /nfs/dbraw/zinc/84/23/73/1026842373.db2.gz DDHFJWMIGGFMRL-CJNGLKHVSA-N 2 1 325.294 3.754 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(NC(=O)c2ccccc2)c1 ZINC000582660031 1026888559 /nfs/dbraw/zinc/88/85/59/1026888559.db2.gz KVYSYIQZNZGILM-OCVOVZGFSA-N 2 1 349.478 3.873 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305665204 1026895145 /nfs/dbraw/zinc/89/51/45/1026895145.db2.gz ZOOPRIIDCNPZJZ-HXUWFJFHSA-N 2 1 345.462 3.556 20 0 EHADMP CC(C)(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccccc2o1 ZINC000305861492 1027033615 /nfs/dbraw/zinc/03/36/15/1027033615.db2.gz YDDUDVJFNIGAMK-HXUWFJFHSA-N 2 1 344.499 3.956 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272765287 1027101575 /nfs/dbraw/zinc/10/15/75/1027101575.db2.gz LYONJRCRZLDMRY-JXXFODFXSA-N 2 1 341.499 3.895 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141229 1027163134 /nfs/dbraw/zinc/16/31/34/1027163134.db2.gz IGWJJYCTLSCMRL-HMXCVIKNSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141229 1027163141 /nfs/dbraw/zinc/16/31/41/1027163141.db2.gz IGWJJYCTLSCMRL-HMXCVIKNSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141229 1027163149 /nfs/dbraw/zinc/16/31/49/1027163149.db2.gz IGWJJYCTLSCMRL-HMXCVIKNSA-N 2 1 328.500 3.542 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OCCC(C)C ZINC000531682997 1027208321 /nfs/dbraw/zinc/20/83/21/1027208321.db2.gz XYMIBBYHSJOCJG-JENIJYKNSA-N 2 1 348.531 3.938 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OCCC(C)C ZINC000531682997 1027208333 /nfs/dbraw/zinc/20/83/33/1027208333.db2.gz XYMIBBYHSJOCJG-JENIJYKNSA-N 2 1 348.531 3.938 20 0 EHADMP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000302656544 1027223715 /nfs/dbraw/zinc/22/37/15/1027223715.db2.gz KXDMMAUBSDDRQN-HNNXBMFYSA-N 2 1 346.906 3.574 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453064605 1027277110 /nfs/dbraw/zinc/27/71/10/1027277110.db2.gz UAVIGTNYURXMEQ-SJLPKXTDSA-N 2 1 335.561 3.694 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000273174074 1027296340 /nfs/dbraw/zinc/29/63/40/1027296340.db2.gz CRKZBOIGYZZOMJ-XCJLJZCSSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000273174074 1027296349 /nfs/dbraw/zinc/29/63/49/1027296349.db2.gz CRKZBOIGYZZOMJ-XCJLJZCSSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000453056103 1027300216 /nfs/dbraw/zinc/30/02/16/1027300216.db2.gz FSYAXIYUPPDOBH-MSOLQXFVSA-N 2 1 338.499 3.572 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453099520 1027322141 /nfs/dbraw/zinc/32/21/41/1027322141.db2.gz WFZFYQFLZXHECD-RBUKOAKNSA-N 2 1 336.907 3.504 20 0 EHADMP C[C@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2sccc21 ZINC000453107584 1027375105 /nfs/dbraw/zinc/37/51/05/1027375105.db2.gz LKUPADCFPIBBHO-MAUKXSAKSA-N 2 1 335.561 3.550 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nccs1 ZINC000273409252 1027414450 /nfs/dbraw/zinc/41/44/50/1027414450.db2.gz HNOLZWXFYQNQOO-SOLBZPMBSA-N 2 1 329.513 3.889 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccncc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453150489 1027419636 /nfs/dbraw/zinc/41/96/36/1027419636.db2.gz SEADRFGOIUTKDL-FDFHNCONSA-N 2 1 335.495 3.657 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453133495 1027435857 /nfs/dbraw/zinc/43/58/57/1027435857.db2.gz WUCWBGCLLILKFW-BHIFYINESA-N 2 1 342.527 3.836 20 0 EHADMP Fc1ccc(C[N@H+](CCc2ccccn2)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420309703 1027457539 /nfs/dbraw/zinc/45/75/39/1027457539.db2.gz FCAHJYHBFFLORZ-GOSISDBHSA-N 2 1 341.474 3.655 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC[C@H]1CC[NH2+]C1 ZINC000420312271 1027459820 /nfs/dbraw/zinc/45/98/20/1027459820.db2.gz WPZHCPQXXAKGEG-GOSISDBHSA-N 2 1 341.499 3.986 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCC(F)(F)C1 ZINC000420312665 1027460040 /nfs/dbraw/zinc/46/00/40/1027460040.db2.gz ORDJTKSSSGGUSQ-GJZGRUSLSA-N 2 1 343.487 3.689 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000273503219 1027462498 /nfs/dbraw/zinc/46/24/98/1027462498.db2.gz ZDVSPXYVXQRQDN-NUJGCVRESA-N 2 1 329.513 3.747 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cc(Cl)ccc2OC)cc1 ZINC000420317111 1027463029 /nfs/dbraw/zinc/46/30/29/1027463029.db2.gz NEQITMRLUBJVAF-INIZCTEOSA-N 2 1 348.874 3.532 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cc(Cl)ccc2OC)cc1 ZINC000420317111 1027463042 /nfs/dbraw/zinc/46/30/42/1027463042.db2.gz NEQITMRLUBJVAF-INIZCTEOSA-N 2 1 348.874 3.532 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2nc(C)cs2)cc1 ZINC000420316224 1027464327 /nfs/dbraw/zinc/46/43/27/1027464327.db2.gz LUBNAJWDDSAYRL-WMZOPIPTSA-N 2 1 345.512 3.730 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2nc(C)cs2)cc1 ZINC000420316224 1027464338 /nfs/dbraw/zinc/46/43/38/1027464338.db2.gz LUBNAJWDDSAYRL-WMZOPIPTSA-N 2 1 345.512 3.730 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273512113 1027467016 /nfs/dbraw/zinc/46/70/16/1027467016.db2.gz OQIZAYUVCJNEDN-MOPGFXCFSA-N 2 1 331.435 3.573 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273512113 1027467023 /nfs/dbraw/zinc/46/70/23/1027467023.db2.gz OQIZAYUVCJNEDN-MOPGFXCFSA-N 2 1 331.435 3.573 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337700 1027470930 /nfs/dbraw/zinc/47/09/30/1027470930.db2.gz WYKKWRVEXDWZBJ-APWZRJJASA-N 2 1 330.516 3.732 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453160054 1027472218 /nfs/dbraw/zinc/47/22/18/1027472218.db2.gz MSRZYDKBWDARKM-NJYVYQBISA-N 2 1 342.527 3.836 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453165095 1027481426 /nfs/dbraw/zinc/48/14/26/1027481426.db2.gz AWQAQYUJYJVOFB-DNVJHFABSA-N 2 1 349.522 3.965 20 0 EHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334935 1027481682 /nfs/dbraw/zinc/48/16/82/1027481682.db2.gz UOPUJXAKSPRMJT-JSGCOSHPSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334935 1027481690 /nfs/dbraw/zinc/48/16/90/1027481690.db2.gz UOPUJXAKSPRMJT-JSGCOSHPSA-N 2 1 343.298 3.742 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420378039 1027500676 /nfs/dbraw/zinc/50/06/76/1027500676.db2.gz BAGKYHRNVVZHNN-YLJYHZDGSA-N 2 1 337.467 3.838 20 0 EHADMP Clc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000647902090 1027528486 /nfs/dbraw/zinc/52/84/86/1027528486.db2.gz ZQDWWNZCJOVEPN-YJBOKZPZSA-N 2 1 345.874 3.959 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000647902090 1027528500 /nfs/dbraw/zinc/52/85/00/1027528500.db2.gz ZQDWWNZCJOVEPN-YJBOKZPZSA-N 2 1 345.874 3.959 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595822 1027572449 /nfs/dbraw/zinc/57/24/49/1027572449.db2.gz KMYIRHUVFQZBQW-QRWLVFNGSA-N 2 1 344.886 3.757 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000501816638 1027574445 /nfs/dbraw/zinc/57/44/45/1027574445.db2.gz REBUUFBZKTXLPY-UHFFFAOYSA-N 2 1 344.952 3.972 20 0 EHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414656017 1027727030 /nfs/dbraw/zinc/72/70/30/1027727030.db2.gz FBCVGQSUNHKHOI-JKSUJKDBSA-N 2 1 340.467 3.540 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414662346 1027747760 /nfs/dbraw/zinc/74/77/60/1027747760.db2.gz PXZLSMRBDDCRDZ-KWBXCNMKSA-N 2 1 336.479 3.948 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000414672386 1027799722 /nfs/dbraw/zinc/79/97/22/1027799722.db2.gz PAZUGHCYDLPDJS-CEWLAPEOSA-N 2 1 336.479 3.921 20 0 EHADMP COCCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342877136 1027837748 /nfs/dbraw/zinc/83/77/48/1027837748.db2.gz WNMZOHUDKJTEAM-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000422707913 1027864696 /nfs/dbraw/zinc/86/46/96/1027864696.db2.gz IKTGINNSYMGHQB-QKMWGZLOSA-N 2 1 344.405 3.871 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000422745264 1027915707 /nfs/dbraw/zinc/91/57/07/1027915707.db2.gz LSGSLMIPZUBMSI-RCCFBDPRSA-N 2 1 335.561 3.771 20 0 EHADMP Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420959444 1027932570 /nfs/dbraw/zinc/93/25/70/1027932570.db2.gz FLZZLYWYMLXAHA-UHFFFAOYSA-N 2 1 338.495 3.852 20 0 EHADMP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)c1c[nH+]ccc1N ZINC000422761441 1027942673 /nfs/dbraw/zinc/94/26/73/1027942673.db2.gz MNZCSTHCRRSEFG-CQSZACIVSA-N 2 1 345.874 3.547 20 0 EHADMP C[C@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414693661 1027951622 /nfs/dbraw/zinc/95/16/22/1027951622.db2.gz MVIIJBLSQZCMDW-DLBZAZTESA-N 2 1 327.472 3.594 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422887367 1028021720 /nfs/dbraw/zinc/02/17/20/1028021720.db2.gz KSCNEUWQIQIARN-RXVVDRJESA-N 2 1 348.494 3.537 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422963551 1028076590 /nfs/dbraw/zinc/07/65/90/1028076590.db2.gz GGOBNUPGPPBRII-JTSKRJEESA-N 3 1 337.511 3.645 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422921562 1028077127 /nfs/dbraw/zinc/07/71/27/1028077127.db2.gz QMJKJCRZBMSFAJ-MJWYBRSISA-N 2 1 344.405 3.871 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422959971 1028097503 /nfs/dbraw/zinc/09/75/03/1028097503.db2.gz UWPZISZXSWLWDE-IAGOWNOFSA-N 2 1 331.257 3.992 20 0 EHADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422971972 1028101653 /nfs/dbraw/zinc/10/16/53/1028101653.db2.gz ZGRFJIVTWGAFQE-FTWXPCQCSA-N 2 1 343.559 3.578 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423087589 1028175313 /nfs/dbraw/zinc/17/53/13/1028175313.db2.gz PXVYYYOVODKDOG-CNFLGBHRSA-N 2 1 342.527 3.660 20 0 EHADMP Clc1ccc(-c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cc1 ZINC000423102017 1028185131 /nfs/dbraw/zinc/18/51/31/1028185131.db2.gz JNIQPBWIVBRLJN-YIONKMFJSA-N 2 1 333.888 3.836 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423119295 1028188132 /nfs/dbraw/zinc/18/81/32/1028188132.db2.gz DMFRQEKXHHWDIM-MTFMMBMASA-N 2 1 338.499 3.834 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423183669 1028231496 /nfs/dbraw/zinc/23/14/96/1028231496.db2.gz LOPUIEGTOIKFCJ-AWEZNQCLSA-N 2 1 331.685 3.895 20 0 EHADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423175780 1028243946 /nfs/dbraw/zinc/24/39/46/1028243946.db2.gz FCCQVHVBNXZMCT-HYVNUMGLSA-N 2 1 337.305 3.768 20 0 EHADMP CC[C@@H]1CCC[C@H](C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000414720679 1028246152 /nfs/dbraw/zinc/24/61/52/1028246152.db2.gz CREZZGJYQWAZPE-QYZOEREBSA-N 2 1 344.547 3.581 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423179276 1028246675 /nfs/dbraw/zinc/24/66/75/1028246675.db2.gz LQCNHZZTDYNALK-HNNXBMFYSA-N 2 1 332.492 3.529 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423200067 1028270459 /nfs/dbraw/zinc/27/04/59/1028270459.db2.gz LPBKFGROMYQGHR-UYAOXDASSA-N 2 1 329.532 3.538 20 0 EHADMP Cc1c(Cl)c(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)nn1C ZINC000421343040 1028285634 /nfs/dbraw/zinc/28/56/34/1028285634.db2.gz PIAZOHHMUSONJF-UHFFFAOYSA-N 2 1 338.927 3.515 20 0 EHADMP C[C@H]([NH3+])CCN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423227028 1028292496 /nfs/dbraw/zinc/29/24/96/1028292496.db2.gz TZOZHQCLGWEBJJ-FXAWDEMLSA-N 2 1 335.511 3.706 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000421368297 1028325318 /nfs/dbraw/zinc/32/53/18/1028325318.db2.gz BULXYPARLOFNAY-SFHVURJKSA-N 2 1 330.541 3.774 20 0 EHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000523442155 1028335184 /nfs/dbraw/zinc/33/51/84/1028335184.db2.gz NQLOHZXKDFKQMA-KRWDZBQOSA-N 2 1 346.515 3.561 20 0 EHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000523442155 1028335198 /nfs/dbraw/zinc/33/51/98/1028335198.db2.gz NQLOHZXKDFKQMA-KRWDZBQOSA-N 2 1 346.515 3.561 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCC1 ZINC000423317620 1028345854 /nfs/dbraw/zinc/34/58/54/1028345854.db2.gz CPQSHKBYVAWXSG-AWEZNQCLSA-N 2 1 331.460 3.798 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000423321263 1028349592 /nfs/dbraw/zinc/34/95/92/1028349592.db2.gz FGJBDAKOPFIGMX-COXVUDFISA-N 2 1 344.421 3.851 20 0 EHADMP CC[C@H]1CCC[C@H](C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000421380897 1028352370 /nfs/dbraw/zinc/35/23/70/1028352370.db2.gz WLIQOIYTBXYZGP-PMACEKPBSA-N 2 1 335.580 3.695 20 0 EHADMP CC1(C)CCC[NH2+][C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423373388 1028378850 /nfs/dbraw/zinc/37/88/50/1028378850.db2.gz BSPSAYDXCUWVEZ-BURNTYAHSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc2cc(Br)ccc2o1 ZINC000423408639 1028425767 /nfs/dbraw/zinc/42/57/67/1028425767.db2.gz XTXMCULJFOGNJG-SUNKGSAMSA-N 2 1 337.261 3.844 20 0 EHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445503 1028434019 /nfs/dbraw/zinc/43/40/19/1028434019.db2.gz XYEITSIBHHIDMO-ISGRIPCHSA-N 2 1 333.888 3.640 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423470732 1028455790 /nfs/dbraw/zinc/45/57/90/1028455790.db2.gz LXMJCRGJONGKTL-ZSYZGHEHSA-N 3 1 341.543 3.537 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423470732 1028455792 /nfs/dbraw/zinc/45/57/92/1028455792.db2.gz LXMJCRGJONGKTL-ZSYZGHEHSA-N 2 1 341.543 3.537 20 0 EHADMP CSc1cc(Br)ccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000414747629 1028475504 /nfs/dbraw/zinc/47/55/04/1028475504.db2.gz HIMGYSIUQXVFLQ-AWEZNQCLSA-N 2 1 343.334 3.745 20 0 EHADMP CSc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000414747629 1028475515 /nfs/dbraw/zinc/47/55/15/1028475515.db2.gz HIMGYSIUQXVFLQ-AWEZNQCLSA-N 2 1 343.334 3.745 20 0 EHADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423494096 1028480401 /nfs/dbraw/zinc/48/04/01/1028480401.db2.gz RONUGFPHTMGBGE-HOTGVXAUSA-N 2 1 330.394 3.515 20 0 EHADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423528762 1028485493 /nfs/dbraw/zinc/48/54/93/1028485493.db2.gz WTTOQXIILFUAIR-CZUORRHYSA-N 2 1 331.287 3.803 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000194056565 1028487015 /nfs/dbraw/zinc/48/70/15/1028487015.db2.gz PBOUCEIYZPPEHL-POGZOPGASA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[C@@H]1c1cccs1 ZINC000194056565 1028487020 /nfs/dbraw/zinc/48/70/20/1028487020.db2.gz PBOUCEIYZPPEHL-POGZOPGASA-N 2 1 346.540 3.678 20 0 EHADMP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)s1 ZINC000423510526 1028488077 /nfs/dbraw/zinc/48/80/77/1028488077.db2.gz MMZAONWORRUNAO-YMAMQOFZSA-N 2 1 341.952 3.659 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1 ZINC000423512753 1028490640 /nfs/dbraw/zinc/49/06/40/1028490640.db2.gz PDCCYOGALJQNIL-SOAGJPPSSA-N 2 1 349.950 3.843 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238762 1028504023 /nfs/dbraw/zinc/50/40/23/1028504023.db2.gz OOKKAJFGRBMTPE-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCCCC2)CCO1 ZINC000714238762 1028504029 /nfs/dbraw/zinc/50/40/29/1028504029.db2.gz OOKKAJFGRBMTPE-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOCC(F)(F)F)C1 ZINC000072966215 1028530911 /nfs/dbraw/zinc/53/09/11/1028530911.db2.gz XPKSKDJWWICXBN-HZPDHXFCSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000072966215 1028530919 /nfs/dbraw/zinc/53/09/19/1028530919.db2.gz XPKSKDJWWICXBN-HZPDHXFCSA-N 2 1 336.442 3.542 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4sccc43)CC2)nc(C)[nH+]1 ZINC000162290151 1028548202 /nfs/dbraw/zinc/54/82/02/1028548202.db2.gz TZSQDGGFFDNNMG-KRWDZBQOSA-N 2 1 342.512 3.791 20 0 EHADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139547 1028583677 /nfs/dbraw/zinc/58/36/77/1028583677.db2.gz ZLRFXZZTUYXIRD-MSOLQXFVSA-N 2 1 341.524 3.941 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000414758120 1028587674 /nfs/dbraw/zinc/58/76/74/1028587674.db2.gz BXZPTSKSDMZQNW-GRUIHPGSSA-N 2 1 348.490 3.964 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000414758120 1028587683 /nfs/dbraw/zinc/58/76/83/1028587683.db2.gz BXZPTSKSDMZQNW-GRUIHPGSSA-N 2 1 348.490 3.964 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000583033274 1028608597 /nfs/dbraw/zinc/60/85/97/1028608597.db2.gz BGCWIJACVKFWJL-UXHICEINSA-N 2 1 330.516 3.539 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1)C(C)C ZINC000421685911 1028676433 /nfs/dbraw/zinc/67/64/33/1028676433.db2.gz WZRDSEVBZBQMST-UHFFFAOYSA-N 2 1 345.531 3.520 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C(C)C)c(F)c1 ZINC000421826877 1028814413 /nfs/dbraw/zinc/81/44/13/1028814413.db2.gz VDSIBECJRZJHLN-KUHUBIRLSA-N 2 1 333.451 3.962 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000424150485 1028837537 /nfs/dbraw/zinc/83/75/37/1028837537.db2.gz ZCXUVNSVDDBWJX-MAUKXSAKSA-N 2 1 332.517 3.698 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000424150485 1028837555 /nfs/dbraw/zinc/83/75/55/1028837555.db2.gz ZCXUVNSVDDBWJX-MAUKXSAKSA-N 2 1 332.517 3.698 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C)n1 ZINC000421856490 1028849935 /nfs/dbraw/zinc/84/99/35/1028849935.db2.gz OBHGGKCAOJKZTE-DKUWSORSSA-N 2 1 335.495 3.984 20 0 EHADMP CC[C@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934711 1028851543 /nfs/dbraw/zinc/85/15/43/1028851543.db2.gz NHWKYKIJTDEGBQ-KSSFIOAISA-N 2 1 344.890 3.665 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934711 1028851566 /nfs/dbraw/zinc/85/15/66/1028851566.db2.gz NHWKYKIJTDEGBQ-KSSFIOAISA-N 2 1 344.890 3.665 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414777120 1028869576 /nfs/dbraw/zinc/86/95/76/1028869576.db2.gz XQLQIFSEQAUNED-IUPUBRQPSA-N 2 1 348.490 3.963 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414777120 1028869597 /nfs/dbraw/zinc/86/95/97/1028869597.db2.gz XQLQIFSEQAUNED-IUPUBRQPSA-N 2 1 348.490 3.963 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000421849284 1028875609 /nfs/dbraw/zinc/87/56/09/1028875609.db2.gz BNDDCEKFQGQFBD-BDHVOXNPSA-N 2 1 342.527 3.977 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248454691 1028911620 /nfs/dbraw/zinc/91/16/20/1028911620.db2.gz RERQJACZHOYMIK-RBUKOAKNSA-N 2 1 344.524 3.946 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000248744414 1028945148 /nfs/dbraw/zinc/94/51/48/1028945148.db2.gz ATOLXFRBLVOGOF-YSTOQKLRSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1ccc(-c2cnc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000424301969 1028985801 /nfs/dbraw/zinc/98/58/01/1028985801.db2.gz YNWVVJMPUGXVSA-INIZCTEOSA-N 2 1 325.456 3.614 20 0 EHADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665569 1028987262 /nfs/dbraw/zinc/98/72/62/1028987262.db2.gz GOGVKNQKSDTXNJ-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665569 1028987287 /nfs/dbraw/zinc/98/72/87/1028987287.db2.gz GOGVKNQKSDTXNJ-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665569 1028987308 /nfs/dbraw/zinc/98/73/08/1028987308.db2.gz GOGVKNQKSDTXNJ-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665569 1028987329 /nfs/dbraw/zinc/98/73/29/1028987329.db2.gz GOGVKNQKSDTXNJ-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665569 1028987351 /nfs/dbraw/zinc/98/73/51/1028987351.db2.gz GOGVKNQKSDTXNJ-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665569 1028987371 /nfs/dbraw/zinc/98/73/71/1028987371.db2.gz GOGVKNQKSDTXNJ-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665569 1028987387 /nfs/dbraw/zinc/98/73/87/1028987387.db2.gz GOGVKNQKSDTXNJ-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366898 1029032088 /nfs/dbraw/zinc/03/20/88/1029032088.db2.gz JVWJLADBNKRPIJ-CHWSQXEVSA-N 2 1 329.307 3.531 20 0 EHADMP Cc1cc(Br)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424372060 1029033543 /nfs/dbraw/zinc/03/35/43/1029033543.db2.gz FHLLMGDMKCXVML-LLVKDONJSA-N 2 1 343.334 3.783 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424376515 1029034322 /nfs/dbraw/zinc/03/43/22/1029034322.db2.gz PLANOOUKNNNNHG-IAOVAPTHSA-N 2 1 329.513 3.963 20 0 EHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000424381068 1029036911 /nfs/dbraw/zinc/03/69/11/1029036911.db2.gz YEFZHRAQCOLFPJ-HZSPNIEDSA-N 2 1 341.318 3.846 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414786928 1029045636 /nfs/dbraw/zinc/04/56/36/1029045636.db2.gz BXWNPEYTSKZZOE-LBPRGKRZSA-N 2 1 328.300 3.797 20 0 EHADMP c1cc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790084 1029083115 /nfs/dbraw/zinc/08/31/15/1029083115.db2.gz ZKSARAGHQNEKQU-ZIAGYGMSSA-N 2 1 333.526 3.693 20 0 EHADMP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744458 1029229149 /nfs/dbraw/zinc/22/91/49/1029229149.db2.gz SGHKFTQKYUWOCH-NMIHRBCNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744458 1029229163 /nfs/dbraw/zinc/22/91/63/1029229163.db2.gz SGHKFTQKYUWOCH-NMIHRBCNSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744458 1029229177 /nfs/dbraw/zinc/22/91/77/1029229177.db2.gz SGHKFTQKYUWOCH-NMIHRBCNSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000161613720 1029238059 /nfs/dbraw/zinc/23/80/59/1029238059.db2.gz SXNAQAVMSAOFQG-CJNGLKHVSA-N 2 1 326.406 3.667 20 0 EHADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245761768 1029256797 /nfs/dbraw/zinc/25/67/97/1029256797.db2.gz VRCKFEGOJYHQFV-LRSLUSHPSA-N 2 1 336.479 3.505 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOC4(CCC4)C2)C3)cc1 ZINC000272283132 1029396828 /nfs/dbraw/zinc/39/68/28/1029396828.db2.gz APUSOTLAZZMSAR-BURNTYAHSA-N 2 1 340.511 3.873 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481385 1029476773 /nfs/dbraw/zinc/47/67/73/1029476773.db2.gz MFDSYRJABNTQES-YUXAGFNASA-N 2 1 338.495 3.529 20 0 EHADMP Clc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000524758628 1029491568 /nfs/dbraw/zinc/49/15/68/1029491568.db2.gz JOSBSLJDLJYCHW-KRWDZBQOSA-N 2 1 336.907 3.917 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[NH+](CC[C@H]4CCC[N@@H+]4C)C3)nc2c1 ZINC000245966368 1029530204 /nfs/dbraw/zinc/53/02/04/1029530204.db2.gz DXQYJXMXIGFWHT-IAGOWNOFSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@H]4CCC[NH+]4C)C3)nc2c1 ZINC000245966368 1029530216 /nfs/dbraw/zinc/53/02/16/1029530216.db2.gz DXQYJXMXIGFWHT-IAGOWNOFSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@H]4CCC[NH+]4C)C3)nc2c1 ZINC000245966368 1029530224 /nfs/dbraw/zinc/53/02/24/1029530224.db2.gz DXQYJXMXIGFWHT-IAGOWNOFSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@H]4CCC[N@H+]4C)C3)[nH]c2c1 ZINC000245966368 1029530238 /nfs/dbraw/zinc/53/02/38/1029530238.db2.gz DXQYJXMXIGFWHT-IAGOWNOFSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@H]4CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000245966368 1029530253 /nfs/dbraw/zinc/53/02/53/1029530253.db2.gz DXQYJXMXIGFWHT-IAGOWNOFSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000245966368 1029530262 /nfs/dbraw/zinc/53/02/62/1029530262.db2.gz DXQYJXMXIGFWHT-IAGOWNOFSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000245966368 1029530270 /nfs/dbraw/zinc/53/02/70/1029530270.db2.gz DXQYJXMXIGFWHT-IAGOWNOFSA-N 2 1 326.488 3.535 20 0 EHADMP C[C@H]([NH2+]CC1(CCO)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272679893 1029564774 /nfs/dbraw/zinc/56/47/74/1029564774.db2.gz SAKHWFTUOMCHMK-FPOVZHCZSA-N 2 1 344.543 3.820 20 0 EHADMP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272704968 1029572784 /nfs/dbraw/zinc/57/27/84/1029572784.db2.gz TWJAXPNLCQYSBB-OALUTQOASA-N 2 1 341.543 3.898 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089626 1029644210 /nfs/dbraw/zinc/64/42/10/1029644210.db2.gz INMDQZDCBDBSJL-PZJWPPBQSA-N 2 1 339.458 3.804 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089626 1029644214 /nfs/dbraw/zinc/64/42/14/1029644214.db2.gz INMDQZDCBDBSJL-PZJWPPBQSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089626 1029644216 /nfs/dbraw/zinc/64/42/16/1029644216.db2.gz INMDQZDCBDBSJL-PZJWPPBQSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089626 1029644219 /nfs/dbraw/zinc/64/42/19/1029644219.db2.gz INMDQZDCBDBSJL-PZJWPPBQSA-N 2 1 339.458 3.804 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738774 1029714453 /nfs/dbraw/zinc/71/44/53/1029714453.db2.gz BOSRLPHUARBBQP-FZKQIMNGSA-N 2 1 349.316 3.900 20 0 EHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710647 1029780463 /nfs/dbraw/zinc/78/04/63/1029780463.db2.gz NBVXWHDOAVIUJJ-CEWLAPEOSA-N 3 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710647 1029780468 /nfs/dbraw/zinc/78/04/68/1029780468.db2.gz NBVXWHDOAVIUJJ-CEWLAPEOSA-N 2 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710647 1029780476 /nfs/dbraw/zinc/78/04/76/1029780476.db2.gz NBVXWHDOAVIUJJ-CEWLAPEOSA-N 2 1 345.575 3.853 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126865329 1029793351 /nfs/dbraw/zinc/79/33/51/1029793351.db2.gz JQUNHSUEJQSRIA-GJZGRUSLSA-N 2 1 333.476 3.845 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126865329 1029793359 /nfs/dbraw/zinc/79/33/59/1029793359.db2.gz JQUNHSUEJQSRIA-GJZGRUSLSA-N 2 1 333.476 3.845 20 0 EHADMP O[C@@]1(C[NH2+]Cc2ccc3ccccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461049 1029858095 /nfs/dbraw/zinc/85/80/95/1029858095.db2.gz AYDNYGYSMWHKIU-HSZRJFAPSA-N 2 1 346.474 3.566 20 0 EHADMP O[C@@]1(C[NH2+]Cc2ccc3ccccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461049 1029858100 /nfs/dbraw/zinc/85/81/00/1029858100.db2.gz AYDNYGYSMWHKIU-HSZRJFAPSA-N 2 1 346.474 3.566 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453212925 1029920281 /nfs/dbraw/zinc/92/02/81/1029920281.db2.gz LVUAWXPEOJSJSG-RCCFBDPRSA-N 2 1 338.442 3.649 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000650708075 1030006581 /nfs/dbraw/zinc/00/65/81/1030006581.db2.gz STJIAODREHJTCY-IYOUNJFTSA-N 2 1 348.874 3.805 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453241947 1030010310 /nfs/dbraw/zinc/01/03/10/1030010310.db2.gz UVPRIEQEOAVBKQ-LSDHHAIUSA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453241947 1030010319 /nfs/dbraw/zinc/01/03/19/1030010319.db2.gz UVPRIEQEOAVBKQ-LSDHHAIUSA-N 2 1 340.389 3.791 20 0 EHADMP C[N@H+]1CCCN(CC[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168336969 1030019036 /nfs/dbraw/zinc/01/90/36/1030019036.db2.gz JKVBNISURHEQMI-UHFFFAOYSA-N 2 1 349.950 3.593 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525694117 1030038551 /nfs/dbraw/zinc/03/85/51/1030038551.db2.gz VYHNJMFNSKEJAJ-KZNAEPCWSA-N 2 1 335.561 3.595 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000120639891 1030053061 /nfs/dbraw/zinc/05/30/61/1030053061.db2.gz YZPYJYUFNFNTDH-WFASDCNBSA-N 2 1 331.287 3.692 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531947138 1030116364 /nfs/dbraw/zinc/11/63/64/1030116364.db2.gz GFPZFQXGQMLVBW-IAGOWNOFSA-N 2 1 343.515 3.734 20 0 EHADMP Cc1cc(Br)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650716885 1030138668 /nfs/dbraw/zinc/13/86/68/1030138668.db2.gz MITGHIMOFBWORE-UHFFFAOYSA-N 2 1 343.265 3.707 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@@]4(CCOC4)C2)C3)cc1 ZINC000453359125 1030154302 /nfs/dbraw/zinc/15/43/02/1030154302.db2.gz JVIBBUOOLWWTFR-CIAFKFPVSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@@]4(CCOC4)C2)C3)cc1 ZINC000453359125 1030154318 /nfs/dbraw/zinc/15/43/18/1030154318.db2.gz JVIBBUOOLWWTFR-CIAFKFPVSA-N 2 1 340.511 3.685 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1 ZINC000090810209 1030186413 /nfs/dbraw/zinc/18/64/13/1030186413.db2.gz YETOFMYLTFQZPU-BEFAXECRSA-N 2 1 329.488 3.874 20 0 EHADMP Fc1ccc(F)c(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453374793 1030193918 /nfs/dbraw/zinc/19/39/18/1030193918.db2.gz UDZVPUMTMITQKK-OALUTQOASA-N 2 1 334.454 3.846 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000453406932 1030217799 /nfs/dbraw/zinc/21/77/99/1030217799.db2.gz DASSPAFTRYGPKW-ZRBLBEILSA-N 2 1 349.522 3.965 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000453434534 1030292106 /nfs/dbraw/zinc/29/21/06/1030292106.db2.gz UHJMIOSBUUCLFO-YMPZKCBVSA-N 2 1 349.522 3.823 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1F ZINC000924776735 1030319174 /nfs/dbraw/zinc/31/91/74/1030319174.db2.gz OLUINTLQNSEUDW-UHFFFAOYSA-N 2 1 343.446 3.757 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453597848 1030358084 /nfs/dbraw/zinc/35/80/84/1030358084.db2.gz OLZNLIPLLIKABQ-UHFFFAOYSA-N 2 1 338.499 3.814 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000157324386 1030454684 /nfs/dbraw/zinc/45/46/84/1030454684.db2.gz CHBZZDMPQANUQO-SNVBAGLBSA-N 2 1 331.685 3.662 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226270 1030492006 /nfs/dbraw/zinc/49/20/06/1030492006.db2.gz SFHIIMRPVIWQFZ-KGLIPLIRSA-N 2 1 330.394 3.620 20 0 EHADMP CC[NH+](CC)C[C@@H](C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228549001 1030557811 /nfs/dbraw/zinc/55/78/11/1030557811.db2.gz ODZBFTWSTLQPIL-CYBMUJFWSA-N 2 1 343.309 3.620 20 0 EHADMP FC(F)COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563735 1030628534 /nfs/dbraw/zinc/62/85/34/1030628534.db2.gz DQOUOZZSXWECPE-KRWDZBQOSA-N 2 1 338.442 3.781 20 0 EHADMP FC(F)COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563735 1030628542 /nfs/dbraw/zinc/62/85/42/1030628542.db2.gz DQOUOZZSXWECPE-KRWDZBQOSA-N 2 1 338.442 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000448027629 1030684289 /nfs/dbraw/zinc/68/42/89/1030684289.db2.gz NSPOHTSIIUIQLA-NRSPTQNISA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448027629 1030684301 /nfs/dbraw/zinc/68/43/01/1030684301.db2.gz NSPOHTSIIUIQLA-NRSPTQNISA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448027629 1030684309 /nfs/dbraw/zinc/68/43/09/1030684309.db2.gz NSPOHTSIIUIQLA-NRSPTQNISA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448027629 1030684315 /nfs/dbraw/zinc/68/43/15/1030684315.db2.gz NSPOHTSIIUIQLA-NRSPTQNISA-N 2 1 343.559 3.607 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn3ccccc3n2)CC1 ZINC000171378170 1030755114 /nfs/dbraw/zinc/75/51/14/1030755114.db2.gz JKMUHMCRHQWKDZ-UHFFFAOYSA-N 2 1 348.494 3.856 20 0 EHADMP CCN(CC)C[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550887789 1030763078 /nfs/dbraw/zinc/76/30/78/1030763078.db2.gz SYGQDNSPHOVNRM-PELRDEGISA-N 2 1 331.548 3.750 20 0 EHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000550887789 1030763096 /nfs/dbraw/zinc/76/30/96/1030763096.db2.gz SYGQDNSPHOVNRM-PELRDEGISA-N 3 1 331.548 3.750 20 0 EHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550887789 1030763111 /nfs/dbraw/zinc/76/31/11/1030763111.db2.gz SYGQDNSPHOVNRM-PELRDEGISA-N 3 1 331.548 3.750 20 0 EHADMP COC[C@@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000482894527 1030795317 /nfs/dbraw/zinc/79/53/17/1030795317.db2.gz CIGMPWCOQFUERK-VKEMMKHGSA-N 2 1 330.516 3.833 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000483247585 1031054412 /nfs/dbraw/zinc/05/44/12/1031054412.db2.gz BYBXMUCEKCMOGJ-DENIHFKCSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000483247585 1031054430 /nfs/dbraw/zinc/05/44/30/1031054430.db2.gz BYBXMUCEKCMOGJ-DENIHFKCSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000483247585 1031054447 /nfs/dbraw/zinc/05/44/47/1031054447.db2.gz BYBXMUCEKCMOGJ-DENIHFKCSA-N 2 1 340.511 3.924 20 0 EHADMP COC1(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000483255879 1031068081 /nfs/dbraw/zinc/06/80/81/1031068081.db2.gz LKZXEUPFUOTDAS-UHFFFAOYSA-N 2 1 330.516 3.932 20 0 EHADMP COC1(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000483255879 1031068100 /nfs/dbraw/zinc/06/81/00/1031068100.db2.gz LKZXEUPFUOTDAS-UHFFFAOYSA-N 2 1 330.516 3.932 20 0 EHADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCCCC1 ZINC000551169122 1031072236 /nfs/dbraw/zinc/07/22/36/1031072236.db2.gz APWLODRTBCEBOH-GIVPXCGWSA-N 3 1 329.532 3.676 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527655214 1031115806 /nfs/dbraw/zinc/11/58/06/1031115806.db2.gz ZZODMRFOQDRMEZ-FGZHOGPDSA-N 2 1 343.559 3.720 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000343498644 1031142952 /nfs/dbraw/zinc/14/29/52/1031142952.db2.gz SOKXGHDTPLMURD-AQNXPRMDSA-N 2 1 345.531 3.507 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000343498644 1031142962 /nfs/dbraw/zinc/14/29/62/1031142962.db2.gz SOKXGHDTPLMURD-AQNXPRMDSA-N 2 1 345.531 3.507 20 0 EHADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000527721416 1031181520 /nfs/dbraw/zinc/18/15/20/1031181520.db2.gz SDISHSXUKYNCFC-ZDUSSCGKSA-N 2 1 330.394 3.536 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810946 1031246959 /nfs/dbraw/zinc/24/69/59/1031246959.db2.gz QCNIJIYTMORAJS-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810946 1031246971 /nfs/dbraw/zinc/24/69/71/1031246971.db2.gz QCNIJIYTMORAJS-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810946 1031246983 /nfs/dbraw/zinc/24/69/83/1031246983.db2.gz QCNIJIYTMORAJS-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903246232 1031293226 /nfs/dbraw/zinc/29/32/26/1031293226.db2.gz SVNJIZXADVJOJK-WIYYLYMNSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527871193 1031357400 /nfs/dbraw/zinc/35/74/00/1031357400.db2.gz SXOQVEGRDSJIMT-DCAQKATOSA-N 2 1 347.247 3.861 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000527938444 1031460271 /nfs/dbraw/zinc/46/02/71/1031460271.db2.gz ZGFSBAPJUHOMMO-FDFHNCONSA-N 2 1 342.527 3.646 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000484141168 1031465384 /nfs/dbraw/zinc/46/53/84/1031465384.db2.gz WDODSOHUBRHOFA-JBACZVJFSA-N 2 1 332.532 3.674 20 0 EHADMP COCCC1CC[NH+]([C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527936369 1031502536 /nfs/dbraw/zinc/50/25/36/1031502536.db2.gz RCJLRIBQEVQZBI-GHTZIAJQSA-N 2 1 330.516 3.646 20 0 EHADMP COCCC1CC[NH+]([C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527936370 1031502996 /nfs/dbraw/zinc/50/29/96/1031502996.db2.gz RCJLRIBQEVQZBI-NQIIRXRSSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000528010206 1031588807 /nfs/dbraw/zinc/58/88/07/1031588807.db2.gz LWQZEEPLOMRTAF-HACGYAERSA-N 2 1 344.330 3.668 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000584053098 1031594521 /nfs/dbraw/zinc/59/45/21/1031594521.db2.gz WQOQYJSVLDJPKW-FAZYEBOESA-N 2 1 336.479 3.950 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000551789521 1031668695 /nfs/dbraw/zinc/66/86/95/1031668695.db2.gz PLKVGWUCKPYXDK-UONOGXRCSA-N 2 1 325.884 3.516 20 0 EHADMP COc1ccccc1C[N@H+](Cc1cccs1)CC1CC[NH2+]CC1 ZINC000178955611 1031723374 /nfs/dbraw/zinc/72/33/74/1031723374.db2.gz PMUGCDNZZDABOU-UHFFFAOYSA-N 2 1 330.497 3.759 20 0 EHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231246 1031976428 /nfs/dbraw/zinc/97/64/28/1031976428.db2.gz JLFVCQVKXVDPSI-NHCUHLMSSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231246 1031976433 /nfs/dbraw/zinc/97/64/33/1031976433.db2.gz JLFVCQVKXVDPSI-NHCUHLMSSA-N 2 1 342.527 3.978 20 0 EHADMP CCCCCn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000537941596 1032026288 /nfs/dbraw/zinc/02/62/88/1032026288.db2.gz XKSQYKLWRYPFDZ-UHFFFAOYSA-N 2 1 332.536 3.878 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015415 1032026918 /nfs/dbraw/zinc/02/69/18/1032026918.db2.gz BUCNZRMHVSRPNK-SJORKVTESA-N 2 1 327.472 3.914 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015415 1032026936 /nfs/dbraw/zinc/02/69/36/1032026936.db2.gz BUCNZRMHVSRPNK-SJORKVTESA-N 2 1 327.472 3.914 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449015415 1032026944 /nfs/dbraw/zinc/02/69/44/1032026944.db2.gz BUCNZRMHVSRPNK-SJORKVTESA-N 2 1 327.472 3.914 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449015415 1032026958 /nfs/dbraw/zinc/02/69/58/1032026958.db2.gz BUCNZRMHVSRPNK-SJORKVTESA-N 2 1 327.472 3.914 20 0 EHADMP COc1cc2c(c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)c1)O[C@@H](C)C2 ZINC000536652564 1032034873 /nfs/dbraw/zinc/03/48/73/1032034873.db2.gz XSUQIQVGQXEJFP-INIZCTEOSA-N 2 1 346.515 3.571 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138333 1032051824 /nfs/dbraw/zinc/05/18/24/1032051824.db2.gz NZQICJLRRKOLQI-XMSQKQJNSA-N 2 1 336.479 3.794 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459392462 1032052438 /nfs/dbraw/zinc/05/24/38/1032052438.db2.gz UIFUITPVCDKXKE-GSEOLPGOSA-N 2 1 348.556 3.646 20 0 EHADMP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443827 1033334030 /nfs/dbraw/zinc/33/40/30/1033334030.db2.gz WRYHUFXWDWYHCN-DFNIBXOVSA-N 2 1 328.500 3.847 20 0 EHADMP C[NH+](Cc1ccc2c(c1)CCC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443827 1033334044 /nfs/dbraw/zinc/33/40/44/1033334044.db2.gz WRYHUFXWDWYHCN-DFNIBXOVSA-N 2 1 328.500 3.847 20 0 EHADMP C[NH+](Cc1ccc2c(c1)CCC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443827 1033334059 /nfs/dbraw/zinc/33/40/59/1033334059.db2.gz WRYHUFXWDWYHCN-DFNIBXOVSA-N 2 1 328.500 3.847 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657890171 1033342335 /nfs/dbraw/zinc/34/23/35/1033342335.db2.gz RDXIAUNONNJZLS-LJQANCHMSA-N 2 1 340.467 3.713 20 0 EHADMP CCOc1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000685456751 1033348131 /nfs/dbraw/zinc/34/81/31/1033348131.db2.gz XLDWDCODHQHBLX-UHFFFAOYSA-N 2 1 327.472 3.564 20 0 EHADMP C[C@H](CSCCF)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000595033777 1033656052 /nfs/dbraw/zinc/65/60/52/1033656052.db2.gz CUBPOTLVLUVVQQ-ZHALLVOQSA-N 2 1 338.536 3.968 20 0 EHADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647348 1033669925 /nfs/dbraw/zinc/66/99/25/1033669925.db2.gz WQOQATLRHNVFSH-UGKGYDQZSA-N 2 1 338.495 3.910 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000132208754 1033746723 /nfs/dbraw/zinc/74/67/23/1033746723.db2.gz GQZLWLJHJMGSHT-INIZCTEOSA-N 2 1 334.504 3.646 20 0 EHADMP C[N@@H+](CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627764 1033758029 /nfs/dbraw/zinc/75/80/29/1033758029.db2.gz PXXNBZDQWXDVIU-PZJWPPBQSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627764 1033758040 /nfs/dbraw/zinc/75/80/40/1033758040.db2.gz PXXNBZDQWXDVIU-PZJWPPBQSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627764 1033758051 /nfs/dbraw/zinc/75/80/51/1033758051.db2.gz PXXNBZDQWXDVIU-PZJWPPBQSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657983051 1033808973 /nfs/dbraw/zinc/80/89/73/1033808973.db2.gz QTVLIWRQSPIBEY-OAHLLOKOSA-N 2 1 325.378 3.592 20 0 EHADMP Clc1cccc(CC2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655774291 1033879890 /nfs/dbraw/zinc/87/98/90/1033879890.db2.gz SCUDSXAIDPDGFZ-LJQANCHMSA-N 2 1 348.918 3.648 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658054862 1033885457 /nfs/dbraw/zinc/88/54/57/1033885457.db2.gz FGQABJJHLACBNB-RYTOZCKSSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000658141678 1033986633 /nfs/dbraw/zinc/98/66/33/1033986633.db2.gz SZWAJPPBEUOKRA-WIYYLYMNSA-N 2 1 338.495 3.721 20 0 EHADMP CC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000339490650 1034131911 /nfs/dbraw/zinc/13/19/11/1034131911.db2.gz VRZZRJAPPYATSE-FQEVSTJZSA-N 2 1 342.527 3.695 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)cc1 ZINC001168328485 1034187861 /nfs/dbraw/zinc/18/78/61/1034187861.db2.gz IERHXCJVTNGNIA-HDYDNRTBSA-N 2 1 330.516 3.823 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000658319072 1034194973 /nfs/dbraw/zinc/19/49/73/1034194973.db2.gz WPGBJRSOESHHNH-PMACEKPBSA-N 2 1 340.511 3.590 20 0 EHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388474 1034359895 /nfs/dbraw/zinc/35/98/95/1034359895.db2.gz FEEKJIQEFBDRBZ-OALUTQOASA-N 2 1 335.923 3.503 20 0 EHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388474 1034359904 /nfs/dbraw/zinc/35/99/04/1034359904.db2.gz FEEKJIQEFBDRBZ-OALUTQOASA-N 2 1 335.923 3.503 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892453191 1034376939 /nfs/dbraw/zinc/37/69/39/1034376939.db2.gz DTQQFLHNDMSIAI-RHSMWYFYSA-N 2 1 326.406 3.814 20 0 EHADMP CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604774473 1034489317 /nfs/dbraw/zinc/48/93/17/1034489317.db2.gz WXCKJRSFERJWRT-CRAIPNDOSA-N 2 1 333.520 3.532 20 0 EHADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC2)CC1 ZINC000604756734 1034498799 /nfs/dbraw/zinc/49/87/99/1034498799.db2.gz SXVYEEGBARMZAB-UHFFFAOYSA-N 2 1 346.272 3.672 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cc1 ZINC000450676813 1034704294 /nfs/dbraw/zinc/70/42/94/1034704294.db2.gz FUJCRAPEEMYHAX-HYFFOGBASA-N 2 1 349.478 3.996 20 0 EHADMP C[C@H]1OCC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390583248 1034755548 /nfs/dbraw/zinc/75/55/48/1034755548.db2.gz JZPMDWBOQLUECF-DENIHFKCSA-N 2 1 338.495 3.846 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278794045 1034860481 /nfs/dbraw/zinc/86/04/81/1034860481.db2.gz QTXGVNMCAREQDO-DNVCBOLYSA-N 2 1 327.447 3.529 20 0 EHADMP CC[N@@H+](Cc1cc(C)cc(OC(F)(F)F)c1)C1CCN(C)CC1 ZINC001143464714 1034958101 /nfs/dbraw/zinc/95/81/01/1034958101.db2.gz SHVBSFNLJBMMFL-UHFFFAOYSA-N 2 1 330.394 3.810 20 0 EHADMP C[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC000647484169 1035040356 /nfs/dbraw/zinc/04/03/56/1035040356.db2.gz FZRMPZQLQXJTQU-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000647487457 1035088293 /nfs/dbraw/zinc/08/82/93/1035088293.db2.gz UFGYTCQNWIMBLF-NAZJXLNTSA-N 2 1 332.488 3.587 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000647487457 1035088301 /nfs/dbraw/zinc/08/83/01/1035088301.db2.gz UFGYTCQNWIMBLF-NAZJXLNTSA-N 2 1 332.488 3.587 20 0 EHADMP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472472421 1035298598 /nfs/dbraw/zinc/29/85/98/1035298598.db2.gz WZPAZQASOOFMSH-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472472421 1035298601 /nfs/dbraw/zinc/29/86/01/1035298601.db2.gz WZPAZQASOOFMSH-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472472421 1035298605 /nfs/dbraw/zinc/29/86/05/1035298605.db2.gz WZPAZQASOOFMSH-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1(F)F ZINC000685849375 1035415453 /nfs/dbraw/zinc/41/54/53/1035415453.db2.gz GPJDIVPWQFRPSM-MRXNPFEDSA-N 2 1 338.442 3.638 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn(C)n1 ZINC000414079224 1035454545 /nfs/dbraw/zinc/45/45/45/1035454545.db2.gz RSSZLTCEZVCYAS-QGZVFWFLSA-N 2 1 326.488 3.647 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000540660744 1035553056 /nfs/dbraw/zinc/55/30/56/1035553056.db2.gz WTALFPYDQZQHKN-JXFKEZNVSA-N 2 1 342.527 3.987 20 0 EHADMP C[C@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492355705 1035692348 /nfs/dbraw/zinc/69/23/48/1035692348.db2.gz YPZYQMKXELOFEQ-FPOVZHCZSA-N 2 1 337.511 3.623 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000534869795 1035698056 /nfs/dbraw/zinc/69/80/56/1035698056.db2.gz LIUOHXWMLUWOBM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000534869795 1035698064 /nfs/dbraw/zinc/69/80/64/1035698064.db2.gz LIUOHXWMLUWOBM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000534869795 1035698079 /nfs/dbraw/zinc/69/80/79/1035698079.db2.gz LIUOHXWMLUWOBM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000534869795 1035698092 /nfs/dbraw/zinc/69/80/92/1035698092.db2.gz LIUOHXWMLUWOBM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000187281715 1035803781 /nfs/dbraw/zinc/80/37/81/1035803781.db2.gz JKMGCKXITHJBME-WOJBJXKFSA-N 2 1 339.483 3.720 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282458818 1035807010 /nfs/dbraw/zinc/80/70/10/1035807010.db2.gz OKHPNSBEBZRBGA-SOAGJPPSSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282458818 1035807031 /nfs/dbraw/zinc/80/70/31/1035807031.db2.gz OKHPNSBEBZRBGA-SOAGJPPSSA-N 2 1 330.516 3.834 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000414172609 1035881472 /nfs/dbraw/zinc/88/14/72/1035881472.db2.gz FNLQMKUUMJZIOA-ZIAGYGMSSA-N 2 1 342.430 3.679 20 0 EHADMP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccc(Cl)cc21 ZINC000623502381 1035930023 /nfs/dbraw/zinc/93/00/23/1035930023.db2.gz HBTHQQQXJRCZPA-MRXNPFEDSA-N 2 1 333.907 3.837 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000414186900 1035969020 /nfs/dbraw/zinc/96/90/20/1035969020.db2.gz PQLBSCMVKCALEP-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000572378034 1036090979 /nfs/dbraw/zinc/09/09/79/1036090979.db2.gz VOEKMPHAVCXYMM-SFHVURJKSA-N 2 1 348.494 3.958 20 0 EHADMP C[C@](O)(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000189826973 1036153371 /nfs/dbraw/zinc/15/33/71/1036153371.db2.gz ZJIUWNWMPYNODY-QFIPXVFZSA-N 2 1 338.495 3.538 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccnc1Cl ZINC000760714554 1036168951 /nfs/dbraw/zinc/16/89/51/1036168951.db2.gz ZZOZMAHODBCIOV-MNZLEMJZSA-N 2 1 343.902 3.981 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414233048 1036195409 /nfs/dbraw/zinc/19/54/09/1036195409.db2.gz QWHHMAZTERQJMN-PXNSSMCTSA-N 2 1 347.547 3.606 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414233048 1036195421 /nfs/dbraw/zinc/19/54/21/1036195421.db2.gz QWHHMAZTERQJMN-PXNSSMCTSA-N 2 1 347.547 3.606 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000414251045 1036282796 /nfs/dbraw/zinc/28/27/96/1036282796.db2.gz GRBVDRQRWRHCFK-UYPUKZBLSA-N 2 1 328.500 3.585 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1F ZINC000102424660 1036464053 /nfs/dbraw/zinc/46/40/53/1036464053.db2.gz CDJYRPICRGCIQN-UHFFFAOYSA-N 2 1 349.409 3.885 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)CC3 ZINC000572743115 1036479362 /nfs/dbraw/zinc/47/93/62/1036479362.db2.gz KDAXBDLWLHWHFZ-AHWCRGGASA-N 2 1 337.511 3.796 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CCC2)o1 ZINC000541733002 1036601528 /nfs/dbraw/zinc/60/15/28/1036601528.db2.gz AMMGKBPOGMSZSR-OXQOHEQNSA-N 2 1 332.488 3.520 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)CC3CCCCC3)C2)CC1 ZINC000541773982 1036629032 /nfs/dbraw/zinc/62/90/32/1036629032.db2.gz RMQDOHCFQDOZBW-PZJWPPBQSA-N 2 1 335.580 3.693 20 0 EHADMP CCc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cn1 ZINC000414317767 1036644205 /nfs/dbraw/zinc/64/42/05/1036644205.db2.gz KQAMSFRQHGIELN-UHFFFAOYSA-N 2 1 338.499 3.705 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCOC4(CCCCC4)C3)C2)cc1 ZINC000310883613 1036713244 /nfs/dbraw/zinc/71/32/44/1036713244.db2.gz AAAMJMSPHYMEBJ-NHCUHLMSSA-N 2 1 342.527 3.980 20 0 EHADMP CCCCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000539510188 1036852451 /nfs/dbraw/zinc/85/24/51/1036852451.db2.gz PQEBQEMCVASRAU-MRXNPFEDSA-N 2 1 332.488 3.787 20 0 EHADMP Brc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000539652784 1037026698 /nfs/dbraw/zinc/02/66/98/1037026698.db2.gz DURGTHXVJJAISV-UHFFFAOYSA-N 2 1 349.316 3.902 20 0 EHADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590787213 1037051381 /nfs/dbraw/zinc/05/13/81/1037051381.db2.gz VEDAIHHYFURSJH-UHFFFAOYSA-N 2 1 345.531 3.801 20 0 EHADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787213 1037051400 /nfs/dbraw/zinc/05/14/00/1037051400.db2.gz VEDAIHHYFURSJH-UHFFFAOYSA-N 2 1 345.531 3.801 20 0 EHADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543875 1037098349 /nfs/dbraw/zinc/09/83/49/1037098349.db2.gz TVHWMRPXTCZQDD-QWHCGFSZSA-N 2 1 332.435 3.979 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000508860713 1037157030 /nfs/dbraw/zinc/15/70/30/1037157030.db2.gz RQSWHHRUOVDVLL-SQWSFHKJSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000508860713 1037157037 /nfs/dbraw/zinc/15/70/37/1037157037.db2.gz RQSWHHRUOVDVLL-SQWSFHKJSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000508860713 1037157045 /nfs/dbraw/zinc/15/70/45/1037157045.db2.gz RQSWHHRUOVDVLL-SQWSFHKJSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000508860713 1037157047 /nfs/dbraw/zinc/15/70/47/1037157047.db2.gz RQSWHHRUOVDVLL-SQWSFHKJSA-N 2 1 342.527 3.900 20 0 EHADMP CC[NH+]1CCC(CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000573034762 1037163677 /nfs/dbraw/zinc/16/36/77/1037163677.db2.gz KVWATEBGCDOPSH-UHFFFAOYSA-N 2 1 348.288 3.563 20 0 EHADMP C[N@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000423283817 1037198515 /nfs/dbraw/zinc/19/85/15/1037198515.db2.gz WILGWPXCXQVOPR-LEWJYISDSA-N 2 1 329.532 3.724 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)C[C@H]1c1ccccc1 ZINC000423420483 1037349461 /nfs/dbraw/zinc/34/94/61/1037349461.db2.gz XFBRIFICYNNYIC-KNQAVFIVSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)C[C@H]1c1ccccc1 ZINC000423420483 1037349473 /nfs/dbraw/zinc/34/94/73/1037349473.db2.gz XFBRIFICYNNYIC-KNQAVFIVSA-N 2 1 335.495 3.970 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462777607 1037381720 /nfs/dbraw/zinc/38/17/20/1037381720.db2.gz NGFQXHBBQXECNT-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462777607 1037381741 /nfs/dbraw/zinc/38/17/41/1037381741.db2.gz NGFQXHBBQXECNT-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311118929 1037408925 /nfs/dbraw/zinc/40/89/25/1037408925.db2.gz GQRZDMQGWVFREB-IRLDBZIGSA-N 2 1 338.495 3.612 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)C1 ZINC000540165819 1037651249 /nfs/dbraw/zinc/65/12/49/1037651249.db2.gz WYTVXNFBZGRRFP-HRAATJIYSA-N 2 1 328.500 3.850 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)ccn2)CC1)CC(C)C ZINC000540198093 1037691904 /nfs/dbraw/zinc/69/19/04/1037691904.db2.gz CIQPNASHMQXWEW-UHFFFAOYSA-N 2 1 333.520 3.670 20 0 EHADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000493924043 1037724681 /nfs/dbraw/zinc/72/46/81/1037724681.db2.gz GICCDJRBXORTHA-GCJKJVERSA-N 2 1 338.495 3.801 20 0 EHADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000493924043 1037724698 /nfs/dbraw/zinc/72/46/98/1037724698.db2.gz GICCDJRBXORTHA-GCJKJVERSA-N 2 1 338.495 3.801 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073468 1037734421 /nfs/dbraw/zinc/73/44/21/1037734421.db2.gz WNRUWHYCFMRLRU-KCZVDYSFSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073468 1037734440 /nfs/dbraw/zinc/73/44/40/1037734440.db2.gz WNRUWHYCFMRLRU-KCZVDYSFSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073468 1037734460 /nfs/dbraw/zinc/73/44/60/1037734460.db2.gz WNRUWHYCFMRLRU-KCZVDYSFSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073468 1037734481 /nfs/dbraw/zinc/73/44/81/1037734481.db2.gz WNRUWHYCFMRLRU-KCZVDYSFSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000463139366 1037800230 /nfs/dbraw/zinc/80/02/30/1037800230.db2.gz CLXBKLQEFKQYGD-SJBKTWHCSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463139366 1037800246 /nfs/dbraw/zinc/80/02/46/1037800246.db2.gz CLXBKLQEFKQYGD-SJBKTWHCSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463139366 1037800264 /nfs/dbraw/zinc/80/02/64/1037800264.db2.gz CLXBKLQEFKQYGD-SJBKTWHCSA-N 2 1 343.559 3.894 20 0 EHADMP CCOc1cc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875337 1037894949 /nfs/dbraw/zinc/89/49/49/1037894949.db2.gz SPVBVVACDJLWIO-YDHLFZDLSA-N 2 1 342.430 3.505 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875337 1037895006 /nfs/dbraw/zinc/89/50/06/1037895006.db2.gz SPVBVVACDJLWIO-YDHLFZDLSA-N 2 1 342.430 3.505 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506468125 1037921056 /nfs/dbraw/zinc/92/10/56/1037921056.db2.gz CGHGCMWCESAWOE-IEBWSBKVSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506468125 1037921071 /nfs/dbraw/zinc/92/10/71/1037921071.db2.gz CGHGCMWCESAWOE-IEBWSBKVSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506468125 1037921092 /nfs/dbraw/zinc/92/10/92/1037921092.db2.gz CGHGCMWCESAWOE-IEBWSBKVSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506468125 1037921102 /nfs/dbraw/zinc/92/11/02/1037921102.db2.gz CGHGCMWCESAWOE-IEBWSBKVSA-N 2 1 344.499 3.560 20 0 EHADMP C[C@@H]1C[C@H](Nc2c[nH+]ccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463282554 1037965174 /nfs/dbraw/zinc/96/51/74/1037965174.db2.gz NKSRKXAEZYKHLZ-IEBWSBKVSA-N 2 1 347.466 3.732 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000173344767 1038045392 /nfs/dbraw/zinc/04/53/92/1038045392.db2.gz FJJPKIKKUCGLKM-UONOGXRCSA-N 2 1 325.294 3.832 20 0 EHADMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000125454877 1038328985 /nfs/dbraw/zinc/32/89/85/1038328985.db2.gz SSRASVGOFZJHCW-IBGZPJMESA-N 2 1 343.471 3.826 20 0 EHADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000125454877 1038328999 /nfs/dbraw/zinc/32/89/99/1038328999.db2.gz SSRASVGOFZJHCW-IBGZPJMESA-N 2 1 343.471 3.826 20 0 EHADMP CC(C)c1nccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000538527711 1038358805 /nfs/dbraw/zinc/35/88/05/1038358805.db2.gz XTCLUGUFTICQES-VQIMIIECSA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000538527711 1038358816 /nfs/dbraw/zinc/35/88/16/1038358816.db2.gz XTCLUGUFTICQES-VQIMIIECSA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000538527711 1038358826 /nfs/dbraw/zinc/35/88/26/1038358826.db2.gz XTCLUGUFTICQES-VQIMIIECSA-N 2 1 326.488 3.807 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cn(C)cn1 ZINC000924667447 1038379658 /nfs/dbraw/zinc/37/96/58/1038379658.db2.gz KEUYTIYGDFFUTG-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cn(C)cn1 ZINC000924667447 1038379672 /nfs/dbraw/zinc/37/96/72/1038379672.db2.gz KEUYTIYGDFFUTG-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000538749956 1038513906 /nfs/dbraw/zinc/51/39/06/1038513906.db2.gz PMKSODPHGUVIGH-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000538749956 1038513911 /nfs/dbraw/zinc/51/39/11/1038513911.db2.gz PMKSODPHGUVIGH-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000539061399 1038660883 /nfs/dbraw/zinc/66/08/83/1038660883.db2.gz LXWPQYFJTSJMRD-RRFJBIMHSA-N 2 1 342.936 3.820 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCc2cccs2)CC1 ZINC000500500882 1038859479 /nfs/dbraw/zinc/85/94/79/1038859479.db2.gz LBOVEMGGKFABJG-UHFFFAOYSA-N 2 1 341.455 3.800 20 0 EHADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCCc3c[nH+]cn3C)oc21 ZINC000582070860 1038871322 /nfs/dbraw/zinc/87/13/22/1038871322.db2.gz ZYXYEJWKYHFMOE-CQSZACIVSA-N 2 1 327.428 3.848 20 0 EHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479911051 1038885925 /nfs/dbraw/zinc/88/59/25/1038885925.db2.gz KJYOGAVWRJCTRL-OALUTQOASA-N 2 1 338.495 3.801 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000552062257 1038929021 /nfs/dbraw/zinc/92/90/21/1038929021.db2.gz QRQKDYQJRMMZKB-MYGLTJDJSA-N 2 1 342.527 3.933 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccnc2OC)CC1)CC(C)C ZINC000488170834 1038933693 /nfs/dbraw/zinc/93/36/93/1038933693.db2.gz QPBMOPZZYGPREW-UHFFFAOYSA-N 2 1 333.520 3.670 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000477911480 1039013820 /nfs/dbraw/zinc/01/38/20/1039013820.db2.gz HSLXNMMFIQFRQK-AZUAARDMSA-N 3 1 335.580 3.741 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477923306 1039033184 /nfs/dbraw/zinc/03/31/84/1039033184.db2.gz UONXQHDUEZUSQG-PZJWPPBQSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923306 1039033204 /nfs/dbraw/zinc/03/32/04/1039033204.db2.gz UONXQHDUEZUSQG-PZJWPPBQSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923306 1039033222 /nfs/dbraw/zinc/03/32/22/1039033222.db2.gz UONXQHDUEZUSQG-PZJWPPBQSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923306 1039033236 /nfs/dbraw/zinc/03/32/36/1039033236.db2.gz UONXQHDUEZUSQG-PZJWPPBQSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935181 1039040455 /nfs/dbraw/zinc/04/04/55/1039040455.db2.gz WCBOSWCVOIEPNA-AZUAARDMSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935181 1039040465 /nfs/dbraw/zinc/04/04/65/1039040465.db2.gz WCBOSWCVOIEPNA-AZUAARDMSA-N 2 1 329.532 3.534 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000667597568 1039059447 /nfs/dbraw/zinc/05/94/47/1039059447.db2.gz RQGDBGOBZBWXIS-UHFFFAOYSA-N 2 1 329.513 3.892 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480050536 1039090467 /nfs/dbraw/zinc/09/04/67/1039090467.db2.gz WGXRPKLURFEYQC-HKUYNNGSSA-N 2 1 334.479 3.934 20 0 EHADMP CC(C)C[C@@H](C)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512425984 1039096393 /nfs/dbraw/zinc/09/63/93/1039096393.db2.gz DLUSBPHMQHZTDF-IRLDBZIGSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000668489234 1039105032 /nfs/dbraw/zinc/10/50/32/1039105032.db2.gz LAYHLDFOSYUUED-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552276988 1039149463 /nfs/dbraw/zinc/14/94/63/1039149463.db2.gz NSESYYVCQYNASE-KZNAEPCWSA-N 2 1 336.907 3.744 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000898518020 1039186451 /nfs/dbraw/zinc/18/64/51/1039186451.db2.gz GBTSMKXTDOXNQM-HSALFYBXSA-N 2 1 339.458 3.611 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)[C@@H](C)C1 ZINC000927037469 1039213984 /nfs/dbraw/zinc/21/39/84/1039213984.db2.gz MXHYSPMMZQJTFM-BZSNNMDCSA-N 2 1 340.577 3.531 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236829495 1039264344 /nfs/dbraw/zinc/26/43/44/1039264344.db2.gz BCRHNKWENUJORW-IAGOWNOFSA-N 2 1 340.471 3.511 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000480188775 1039291563 /nfs/dbraw/zinc/29/15/63/1039291563.db2.gz ADZAJPXEZRUXPK-INIZCTEOSA-N 2 1 330.394 3.892 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000480188775 1039291570 /nfs/dbraw/zinc/29/15/70/1039291570.db2.gz ADZAJPXEZRUXPK-INIZCTEOSA-N 2 1 330.394 3.892 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)c1 ZINC000906158244 1039327517 /nfs/dbraw/zinc/32/75/17/1039327517.db2.gz KCDITSNXFNTLHV-QFBILLFUSA-N 2 1 336.483 3.595 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C)o1 ZINC000660148972 1039378441 /nfs/dbraw/zinc/37/84/41/1039378441.db2.gz FLLNNCZNJSEWCH-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)o1 ZINC000660148972 1039378448 /nfs/dbraw/zinc/37/84/48/1039378448.db2.gz FLLNNCZNJSEWCH-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000237661710 1039407810 /nfs/dbraw/zinc/40/78/10/1039407810.db2.gz OGERHJFDQHLXLF-MAUKXSAKSA-N 2 1 328.456 3.633 20 0 EHADMP COC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCCC1 ZINC000480343061 1039458945 /nfs/dbraw/zinc/45/89/45/1039458945.db2.gz KKOZHUCCAZXTOD-QGZVFWFLSA-N 2 1 336.545 3.899 20 0 EHADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000480343061 1039458951 /nfs/dbraw/zinc/45/89/51/1039458951.db2.gz KKOZHUCCAZXTOD-QGZVFWFLSA-N 2 1 336.545 3.899 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000086279424 1039466650 /nfs/dbraw/zinc/46/66/50/1039466650.db2.gz QZVKABVPWYQPPG-HNNXBMFYSA-N 2 1 337.471 3.983 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000086279422 1039467070 /nfs/dbraw/zinc/46/70/70/1039467070.db2.gz QZVKABVPWYQPPG-OAHLLOKOSA-N 2 1 337.471 3.983 20 0 EHADMP CCC(C)(C)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512486656 1039471997 /nfs/dbraw/zinc/47/19/97/1039471997.db2.gz NGRTXLNWJZMDKZ-OAQYLSRUSA-N 2 1 343.559 3.705 20 0 EHADMP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CCCO1 ZINC000432861624 1039573670 /nfs/dbraw/zinc/57/36/70/1039573670.db2.gz XEGXITBGJAWDDJ-AWEZNQCLSA-N 2 1 333.863 3.801 20 0 EHADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CCCO1 ZINC000432861624 1039573697 /nfs/dbraw/zinc/57/36/97/1039573697.db2.gz XEGXITBGJAWDDJ-AWEZNQCLSA-N 2 1 333.863 3.801 20 0 EHADMP OC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000417356230 1039717019 /nfs/dbraw/zinc/71/70/19/1039717019.db2.gz BYWKJIAMKNMPOJ-QFIPXVFZSA-N 2 1 344.543 3.614 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3CN(c4cc[nH+]c5ccccc54)C[C@H]3C2)cc1 ZINC000480577410 1039721622 /nfs/dbraw/zinc/72/16/22/1039721622.db2.gz HEBUZVZWELXLBJ-KDURUIRLSA-N 2 1 329.447 3.803 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614680 1039757126 /nfs/dbraw/zinc/75/71/26/1039757126.db2.gz NVFYWCZGAULEGU-JQFCIGGWSA-N 2 1 342.405 3.905 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614680 1039757141 /nfs/dbraw/zinc/75/71/41/1039757141.db2.gz NVFYWCZGAULEGU-JQFCIGGWSA-N 2 1 342.405 3.905 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000367439574 1039782731 /nfs/dbraw/zinc/78/27/31/1039782731.db2.gz VOAIRSVZBQGXRN-HNNXBMFYSA-N 2 1 335.455 3.564 20 0 EHADMP Fc1cccc(-c2ccc(CNC[C@H]3CC[N@H+](C4CC4)C3)o2)c1F ZINC000480648401 1039832353 /nfs/dbraw/zinc/83/23/53/1039832353.db2.gz VFRGLHCCSHFMDM-CYBMUJFWSA-N 2 1 332.394 3.799 20 0 EHADMP Fc1cccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)o2)c1F ZINC000480648401 1039832376 /nfs/dbraw/zinc/83/23/76/1039832376.db2.gz VFRGLHCCSHFMDM-CYBMUJFWSA-N 2 1 332.394 3.799 20 0 EHADMP Fc1cccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)o2)c1F ZINC000480648401 1039832407 /nfs/dbraw/zinc/83/24/07/1039832407.db2.gz VFRGLHCCSHFMDM-CYBMUJFWSA-N 2 1 332.394 3.799 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000489500873 1040029768 /nfs/dbraw/zinc/02/97/68/1040029768.db2.gz ONWSMRDCCUAJKD-LJQANCHMSA-N 2 1 325.456 3.574 20 0 EHADMP Cc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000554982719 1040034277 /nfs/dbraw/zinc/03/42/77/1040034277.db2.gz YCGVNJQBYCVLSP-OAQYLSRUSA-N 2 1 336.479 3.553 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@@H+]1C ZINC000489518726 1040040667 /nfs/dbraw/zinc/04/06/67/1040040667.db2.gz SLBMNWMXKREAMJ-XFQXTVEOSA-N 2 1 328.500 3.851 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@H+]1C ZINC000489518726 1040040685 /nfs/dbraw/zinc/04/06/85/1040040685.db2.gz SLBMNWMXKREAMJ-XFQXTVEOSA-N 2 1 328.500 3.851 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562780 1040087707 /nfs/dbraw/zinc/08/77/07/1040087707.db2.gz VZRRYJPDUZFHER-JXFKEZNVSA-N 2 1 328.500 3.711 20 0 EHADMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(Cl)c1OC ZINC000480911767 1040155915 /nfs/dbraw/zinc/15/59/15/1040155915.db2.gz MDHWHAJZVTVLIG-UHFFFAOYSA-N 2 1 340.895 3.569 20 0 EHADMP Cc1ccn2c(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cnc2c1 ZINC000486530272 1040218359 /nfs/dbraw/zinc/21/83/59/1040218359.db2.gz CWLJCLWULYYSKU-QUCCMNQESA-N 2 1 348.494 3.643 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417876890 1040281373 /nfs/dbraw/zinc/28/13/73/1040281373.db2.gz RCYJXKRUBWVYEE-HDICACEKSA-N 2 1 340.515 3.671 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512655795 1040406073 /nfs/dbraw/zinc/40/60/73/1040406073.db2.gz WNARCMMMXIIECV-PCCBWWKXSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000500068247 1040431209 /nfs/dbraw/zinc/43/12/09/1040431209.db2.gz ATXWFYIZXCELEP-NRFANRHFSA-N 2 1 335.580 3.837 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@H](C)C1 ZINC000555336235 1040454383 /nfs/dbraw/zinc/45/43/83/1040454383.db2.gz QYHDJWRRHBMAOE-YLJYHZDGSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@H](C)C1 ZINC000555336235 1040454390 /nfs/dbraw/zinc/45/43/90/1040454390.db2.gz QYHDJWRRHBMAOE-YLJYHZDGSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@H](C)C1 ZINC000555336235 1040454396 /nfs/dbraw/zinc/45/43/96/1040454396.db2.gz QYHDJWRRHBMAOE-YLJYHZDGSA-N 2 1 340.515 3.558 20 0 EHADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311104882 1040675610 /nfs/dbraw/zinc/67/56/10/1040675610.db2.gz QPBDLUZTNMINMY-BWUHRYBWSA-N 2 1 342.527 3.690 20 0 EHADMP CC1(C)CC2(CC([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)C2)CO1 ZINC000924875143 1040945657 /nfs/dbraw/zinc/94/56/57/1040945657.db2.gz WAEDWPYHYQDWIA-VXESANQCSA-N 2 1 348.556 3.897 20 0 EHADMP CC1(C)CC2(CC([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)C2)CO1 ZINC000924875143 1040945671 /nfs/dbraw/zinc/94/56/71/1040945671.db2.gz WAEDWPYHYQDWIA-VXESANQCSA-N 2 1 348.556 3.897 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000668785735 1041012681 /nfs/dbraw/zinc/01/26/81/1041012681.db2.gz WGLDLNRCPWIFNX-NJDAHSKKSA-N 2 1 330.516 3.539 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cnn2ccccc12 ZINC000512880338 1041166624 /nfs/dbraw/zinc/16/66/24/1041166624.db2.gz SKRNHVRMFOUZBO-UHFFFAOYSA-N 2 1 336.483 3.582 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cnn2ccccc12 ZINC000512880338 1041166632 /nfs/dbraw/zinc/16/66/32/1041166632.db2.gz SKRNHVRMFOUZBO-UHFFFAOYSA-N 2 1 336.483 3.582 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC=CO4)CC[C@@H]32)cc1 ZINC000194074052 1041206540 /nfs/dbraw/zinc/20/65/40/1041206540.db2.gz HTXXDYVSWCYWGF-HKBOAZHASA-N 2 1 326.484 3.666 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCC=CO4)CC[C@@H]32)cc1 ZINC000194074052 1041206559 /nfs/dbraw/zinc/20/65/59/1041206559.db2.gz HTXXDYVSWCYWGF-HKBOAZHASA-N 2 1 326.484 3.666 20 0 EHADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874944 1041260447 /nfs/dbraw/zinc/26/04/47/1041260447.db2.gz QKDRZDJOURCCQQ-LLVKDONJSA-N 2 1 325.334 3.640 20 0 EHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433336419 1041312878 /nfs/dbraw/zinc/31/28/78/1041312878.db2.gz VODLFZNBRKEBIZ-UHFFFAOYSA-N 2 1 330.476 3.804 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278838767 1041626214 /nfs/dbraw/zinc/62/62/14/1041626214.db2.gz QRZOIMAPXHWRNB-UONOGXRCSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000278838767 1041626216 /nfs/dbraw/zinc/62/62/16/1041626216.db2.gz QRZOIMAPXHWRNB-UONOGXRCSA-N 2 1 341.421 3.843 20 0 EHADMP OCC1([N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C2CC2)CCC1 ZINC000660771281 1041815529 /nfs/dbraw/zinc/81/55/29/1041815529.db2.gz OJXOIOZTMKGDAH-UHFFFAOYSA-N 2 1 328.500 3.552 20 0 EHADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000651699966 1041941134 /nfs/dbraw/zinc/94/11/34/1041941134.db2.gz NUKRMUWCOUVDQI-PMACEKPBSA-N 2 1 332.532 3.592 20 0 EHADMP CC[N@@H+](CCC[NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000651910351 1042173771 /nfs/dbraw/zinc/17/37/71/1042173771.db2.gz QFSFMYMIFCXHPV-UHFFFAOYSA-N 2 1 349.485 3.647 20 0 EHADMP CC(C)C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000652196627 1042271292 /nfs/dbraw/zinc/27/12/92/1042271292.db2.gz ZURUKITYWQYPKT-LJQANCHMSA-N 2 1 335.511 3.529 20 0 EHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000164631830 1042422424 /nfs/dbraw/zinc/42/24/24/1042422424.db2.gz XSXWBJQZXHAODI-KRWDZBQOSA-N 2 1 331.460 3.730 20 0 EHADMP FC(F)(F)[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC12CCC2 ZINC000662281770 1042656489 /nfs/dbraw/zinc/65/64/89/1042656489.db2.gz LYQVWVJJBNGROV-KRWDZBQOSA-N 2 1 338.417 3.887 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150817649 1042667387 /nfs/dbraw/zinc/66/73/87/1042667387.db2.gz NCCURVQGJOENMK-OAHLLOKOSA-N 2 1 328.378 3.503 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150817649 1042667390 /nfs/dbraw/zinc/66/73/90/1042667390.db2.gz NCCURVQGJOENMK-OAHLLOKOSA-N 2 1 328.378 3.503 20 0 EHADMP c1ccc(-c2nc3c(s2)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000662305760 1042670715 /nfs/dbraw/zinc/67/07/15/1042670715.db2.gz UVVKDNLBCZIFFP-OAHLLOKOSA-N 2 1 327.497 3.558 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)[C@@H]1CCC[NH3+] ZINC000662315395 1042681621 /nfs/dbraw/zinc/68/16/21/1042681621.db2.gz SNRLNTAQIWQTJX-UKRRQHHQSA-N 2 1 336.430 3.771 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)CCO1 ZINC000662319004 1042682905 /nfs/dbraw/zinc/68/29/05/1042682905.db2.gz IUEFQZPKNVXOES-NRFANRHFSA-N 2 1 338.495 3.819 20 0 EHADMP Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000162295424 1042718370 /nfs/dbraw/zinc/71/83/70/1042718370.db2.gz CPNZFTNGRKOLBO-GJZGRUSLSA-N 2 1 333.501 3.804 20 0 EHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000663343648 1042727243 /nfs/dbraw/zinc/72/72/43/1042727243.db2.gz ACNFQVLMBOUKNP-SFHLNBCPSA-N 2 1 327.516 3.819 20 0 EHADMP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000663343647 1042727292 /nfs/dbraw/zinc/72/72/92/1042727292.db2.gz ACNFQVLMBOUKNP-SBHAEUEKSA-N 2 1 327.516 3.819 20 0 EHADMP c1cc([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000662504965 1042765857 /nfs/dbraw/zinc/76/58/57/1042765857.db2.gz OJCDJWJDWCBYLL-FQEVSTJZSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]n1 ZINC000662504965 1042765862 /nfs/dbraw/zinc/76/58/62/1042765862.db2.gz OJCDJWJDWCBYLL-FQEVSTJZSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]n1 ZINC000662504965 1042765868 /nfs/dbraw/zinc/76/58/68/1042765868.db2.gz OJCDJWJDWCBYLL-FQEVSTJZSA-N 2 1 338.499 3.775 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662675403 1042826064 /nfs/dbraw/zinc/82/60/64/1042826064.db2.gz MUDBJSSKCUYDSQ-MRXNPFEDSA-N 2 1 341.499 3.674 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3oc4ccccc4c3c2)CC1 ZINC000893601336 1042836068 /nfs/dbraw/zinc/83/60/68/1042836068.db2.gz HTXFIABAQRYBJI-UHFFFAOYSA-N 2 1 338.451 3.522 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466416 1042888255 /nfs/dbraw/zinc/88/82/55/1042888255.db2.gz SRSOFVUZAZROOV-MAUKXSAKSA-N 2 1 332.536 3.719 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466416 1042888262 /nfs/dbraw/zinc/88/82/62/1042888262.db2.gz SRSOFVUZAZROOV-MAUKXSAKSA-N 2 1 332.536 3.719 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467382 1042889151 /nfs/dbraw/zinc/88/91/51/1042889151.db2.gz FFWBNFZLCSCAGE-LPHOPBHVSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467382 1042889155 /nfs/dbraw/zinc/88/91/55/1042889155.db2.gz FFWBNFZLCSCAGE-LPHOPBHVSA-N 2 1 332.463 3.751 20 0 EHADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663467770 1042895436 /nfs/dbraw/zinc/89/54/36/1042895436.db2.gz HZORTKDSSOVXJC-HZPDHXFCSA-N 2 1 333.545 3.795 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663471843 1042902293 /nfs/dbraw/zinc/90/22/93/1042902293.db2.gz YRJNTGODKYEFOM-AOIWGVFYSA-N 2 1 330.516 3.899 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H](C)C1 ZINC000663478056 1042907436 /nfs/dbraw/zinc/90/74/36/1042907436.db2.gz JZUQFEANWZXBAF-CABCVRRESA-N 2 1 338.458 3.692 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001167824339 1042944702 /nfs/dbraw/zinc/94/47/02/1042944702.db2.gz DMUJNLNQTSOYKS-AWEZNQCLSA-N 2 1 343.437 3.969 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001167827494 1042970114 /nfs/dbraw/zinc/97/01/14/1042970114.db2.gz WZCHITXTHUIBJO-IBGZPJMESA-N 2 1 340.515 3.989 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925787309 1042982563 /nfs/dbraw/zinc/98/25/63/1042982563.db2.gz ZZCLHFDBFKVEQR-IUODEOHRSA-N 2 1 344.833 3.697 20 0 EHADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CCC([NH3+])CC1 ZINC000317718522 1043037933 /nfs/dbraw/zinc/03/79/33/1043037933.db2.gz KVEMQYYUILJAPH-UHFFFAOYSA-N 2 1 344.286 3.524 20 0 EHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512059619 1043081201 /nfs/dbraw/zinc/08/12/01/1043081201.db2.gz SLQMVMCOTCLKJE-HNNXBMFYSA-N 2 1 337.920 3.969 20 0 EHADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000344022747 1043112956 /nfs/dbraw/zinc/11/29/56/1043112956.db2.gz OLBZOAVOFMUTKP-ABAIWWIYSA-N 2 1 331.273 3.969 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001167841414 1043121708 /nfs/dbraw/zinc/12/17/08/1043121708.db2.gz MQNXIONRIUQYMU-SFHVURJKSA-N 2 1 340.515 3.876 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001167841414 1043121713 /nfs/dbraw/zinc/12/17/13/1043121713.db2.gz MQNXIONRIUQYMU-SFHVURJKSA-N 2 1 340.515 3.876 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432414710 1043130454 /nfs/dbraw/zinc/13/04/54/1043130454.db2.gz AMNAMTYRGDDUKD-IEBWSBKVSA-N 2 1 348.556 3.931 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H](C)CC(=O)OC ZINC001167841988 1043141961 /nfs/dbraw/zinc/14/19/61/1043141961.db2.gz VLFQYHASTPFIPI-MOPGFXCFSA-N 2 1 348.531 3.951 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420211 1043148984 /nfs/dbraw/zinc/14/89/84/1043148984.db2.gz JSBZTYHEHOBLBE-RLLQIKCJSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420211 1043148995 /nfs/dbraw/zinc/14/89/95/1043148995.db2.gz JSBZTYHEHOBLBE-RLLQIKCJSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420212 1043149505 /nfs/dbraw/zinc/14/95/05/1043149505.db2.gz JSBZTYHEHOBLBE-YZGWKJHDSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420212 1043149508 /nfs/dbraw/zinc/14/95/08/1043149508.db2.gz JSBZTYHEHOBLBE-YZGWKJHDSA-N 2 1 330.516 3.659 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001167842338 1043160563 /nfs/dbraw/zinc/16/05/63/1043160563.db2.gz WNKQFUVLPFUZRD-HNAYVOBHSA-N 2 1 340.458 3.849 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001167842338 1043160572 /nfs/dbraw/zinc/16/05/72/1043160572.db2.gz WNKQFUVLPFUZRD-HNAYVOBHSA-N 2 1 340.458 3.849 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1(C)C ZINC000344052217 1043163743 /nfs/dbraw/zinc/16/37/43/1043163743.db2.gz JUQNHJDEBDBJQZ-QZTJIDSGSA-N 2 1 331.435 3.613 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000432426375 1043176685 /nfs/dbraw/zinc/17/66/85/1043176685.db2.gz ZPOLMSSOJZMQMX-KBPBESRZSA-N 2 1 328.859 3.631 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000279014176 1043200651 /nfs/dbraw/zinc/20/06/51/1043200651.db2.gz UBBOUFKIJWPPRW-BBRMVZONSA-N 2 1 335.398 3.788 20 0 EHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344097125 1043239131 /nfs/dbraw/zinc/23/91/31/1043239131.db2.gz IFZGPOMHOGNJOV-LEWJYISDSA-N 2 1 330.516 3.600 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587585 1043322732 /nfs/dbraw/zinc/32/27/32/1043322732.db2.gz YUPUZBYRPORLJF-GJZGRUSLSA-N 2 1 328.447 3.927 20 0 EHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587585 1043322751 /nfs/dbraw/zinc/32/27/51/1043322751.db2.gz YUPUZBYRPORLJF-GJZGRUSLSA-N 2 1 328.447 3.927 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000391085259 1043815725 /nfs/dbraw/zinc/81/57/25/1043815725.db2.gz QPYQENPISNETEL-YCPHGPKFSA-N 2 1 326.431 3.681 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000391085259 1043815747 /nfs/dbraw/zinc/81/57/47/1043815747.db2.gz QPYQENPISNETEL-YCPHGPKFSA-N 2 1 326.431 3.681 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122850881 1044518029 /nfs/dbraw/zinc/51/80/29/1044518029.db2.gz PPVRPXQZYCZSPH-AWEZNQCLSA-N 2 1 338.442 3.826 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163219143 1125661508 /nfs/dbraw/zinc/66/15/08/1125661508.db2.gz QHZOLQBAZUKGEY-GOEBONIOSA-N 2 1 346.906 3.827 20 0 EHADMP CCCc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154483701 1125721948 /nfs/dbraw/zinc/72/19/48/1125721948.db2.gz OAHZCTUHJJVWDK-IBGZPJMESA-N 2 1 331.548 3.707 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000267528370 1125732752 /nfs/dbraw/zinc/73/27/52/1125732752.db2.gz QWGITGQTHUIQQX-BVYCBKJFSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000267528370 1125732756 /nfs/dbraw/zinc/73/27/56/1125732756.db2.gz QWGITGQTHUIQQX-BVYCBKJFSA-N 2 1 338.495 3.537 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000154531505 1125727241 /nfs/dbraw/zinc/72/72/41/1125727241.db2.gz RKJJIRCXIXGYKP-LJQANCHMSA-N 2 1 343.559 3.634 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192090895 1126775054 /nfs/dbraw/zinc/77/50/54/1126775054.db2.gz ZKQNHLCSAJFPGM-SJORKVTESA-N 2 1 328.859 3.631 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000174349971 1126851570 /nfs/dbraw/zinc/85/15/70/1126851570.db2.gz DFACWXBZEWGEPG-GFCCVEGCSA-N 2 1 337.414 3.836 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(OCC(F)(F)F)cc2)CC1(C)C ZINC000623344907 1126923810 /nfs/dbraw/zinc/92/38/10/1126923810.db2.gz ICSNTCRYBRJOLN-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1(C)C ZINC000623344907 1126923811 /nfs/dbraw/zinc/92/38/11/1126923811.db2.gz ICSNTCRYBRJOLN-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)CC1(C)C ZINC000623495185 1126967698 /nfs/dbraw/zinc/96/76/98/1126967698.db2.gz UHUSYZWRUPFRCZ-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521929 1126974594 /nfs/dbraw/zinc/97/45/94/1126974594.db2.gz PKZMOXZWWDJERA-CZUORRHYSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521929 1126974598 /nfs/dbraw/zinc/97/45/98/1126974598.db2.gz PKZMOXZWWDJERA-CZUORRHYSA-N 2 1 345.314 3.879 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707137 1126990381 /nfs/dbraw/zinc/99/03/81/1126990381.db2.gz HELASYOJDSSJNO-OGWOLHLISA-N 2 1 336.907 3.616 20 0 EHADMP Cc1ccc(-c2nc(CNC[C@H]3CCCC[N@H+](C)C3)cs2)cc1 ZINC000623656353 1127005928 /nfs/dbraw/zinc/00/59/28/1127005928.db2.gz SIECZCGGPPDOCX-MRXNPFEDSA-N 2 1 329.513 3.940 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757082 1127115790 /nfs/dbraw/zinc/11/57/90/1127115790.db2.gz NRQIAICQVMWOFV-HUUCEWRRSA-N 2 1 339.886 3.520 20 0 EHADMP CC[N@@H+](Cc1cnn2ccccc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100506 1127120726 /nfs/dbraw/zinc/12/07/26/1127120726.db2.gz HTHSLVXMQVIBPG-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP CC[N@H+](Cc1cnn2ccccc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100506 1127120728 /nfs/dbraw/zinc/12/07/28/1127120728.db2.gz HTHSLVXMQVIBPG-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cnn2ccccc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100506 1127120732 /nfs/dbraw/zinc/12/07/32/1127120732.db2.gz HTHSLVXMQVIBPG-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cnn2ccccc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100506 1127120734 /nfs/dbraw/zinc/12/07/34/1127120734.db2.gz HTHSLVXMQVIBPG-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP CC[N@@H+](Cc1cnn2ccccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100529 1127120797 /nfs/dbraw/zinc/12/07/97/1127120797.db2.gz HTHSLVXMQVIBPG-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP CC[N@H+](Cc1cnn2ccccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100529 1127120799 /nfs/dbraw/zinc/12/07/99/1127120799.db2.gz HTHSLVXMQVIBPG-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cnn2ccccc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100529 1127120803 /nfs/dbraw/zinc/12/08/03/1127120803.db2.gz HTHSLVXMQVIBPG-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cnn2ccccc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100529 1127120805 /nfs/dbraw/zinc/12/08/05/1127120805.db2.gz HTHSLVXMQVIBPG-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000624123164 1127256976 /nfs/dbraw/zinc/25/69/76/1127256976.db2.gz GZTIEKPIRNDGES-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119884 1127255640 /nfs/dbraw/zinc/25/56/40/1127255640.db2.gz LSVWHKVYSLEZBX-MSOLQXFVSA-N 2 1 345.531 3.849 20 0 EHADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000181721995 1127291366 /nfs/dbraw/zinc/29/13/66/1127291366.db2.gz JTXOVHAENSYQLS-IRXDYDNUSA-N 2 1 343.515 3.590 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1nccn1C ZINC000182682166 1127342991 /nfs/dbraw/zinc/34/29/91/1127342991.db2.gz KVSMQIQQSGCVFE-KRWDZBQOSA-N 2 1 326.488 3.647 20 0 EHADMP COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183147336 1127364687 /nfs/dbraw/zinc/36/46/87/1127364687.db2.gz HPEXLVOUFHQUNR-OAHLLOKOSA-N 2 1 349.434 3.818 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000183365946 1127374440 /nfs/dbraw/zinc/37/44/40/1127374440.db2.gz QYHMFYCQNWWYLS-GXTWGEPZSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000183365946 1127374446 /nfs/dbraw/zinc/37/44/46/1127374446.db2.gz QYHMFYCQNWWYLS-GXTWGEPZSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365946 1127374450 /nfs/dbraw/zinc/37/44/50/1127374450.db2.gz QYHMFYCQNWWYLS-GXTWGEPZSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365946 1127374454 /nfs/dbraw/zinc/37/44/54/1127374454.db2.gz QYHMFYCQNWWYLS-GXTWGEPZSA-N 2 1 348.384 3.681 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000764662283 1127518426 /nfs/dbraw/zinc/51/84/26/1127518426.db2.gz LKGSGPVZGHJXAU-QGZVFWFLSA-N 2 1 326.488 3.707 20 0 EHADMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000764774721 1127532878 /nfs/dbraw/zinc/53/28/78/1127532878.db2.gz QYZXWJNJEGXADV-INIZCTEOSA-N 2 1 330.447 3.646 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000385752244 1127612013 /nfs/dbraw/zinc/61/20/13/1127612013.db2.gz RWNDLESMYBJZCY-RTWAWAEBSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(OCc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166254085 1128090255 /nfs/dbraw/zinc/09/02/55/1128090255.db2.gz SVFUWWHKXZDPMU-LEWJYISDSA-N 2 1 336.479 3.982 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000060978645 1128117068 /nfs/dbraw/zinc/11/70/68/1128117068.db2.gz XACXMEQIEMNAJE-GASCZTMLSA-N 2 1 326.431 3.746 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000060978645 1128117070 /nfs/dbraw/zinc/11/70/70/1128117070.db2.gz XACXMEQIEMNAJE-GASCZTMLSA-N 2 1 326.431 3.746 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741359 1128177841 /nfs/dbraw/zinc/17/78/41/1128177841.db2.gz FMFPLQAOFNOEIF-GJZGRUSLSA-N 2 1 331.460 3.696 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902393418 1128184163 /nfs/dbraw/zinc/18/41/63/1128184163.db2.gz QVCOQPQPYLBHFL-QAPCUYQASA-N 2 1 339.474 3.597 20 0 EHADMP CC(C)(C)N1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902393418 1128184166 /nfs/dbraw/zinc/18/41/66/1128184166.db2.gz QVCOQPQPYLBHFL-QAPCUYQASA-N 2 1 339.474 3.597 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902393417 1128184422 /nfs/dbraw/zinc/18/44/22/1128184422.db2.gz QVCOQPQPYLBHFL-MAUKXSAKSA-N 2 1 339.474 3.597 20 0 EHADMP CC(C)(C)N1CC[C@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902393417 1128184425 /nfs/dbraw/zinc/18/44/25/1128184425.db2.gz QVCOQPQPYLBHFL-MAUKXSAKSA-N 2 1 339.474 3.597 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000671752634 1128210307 /nfs/dbraw/zinc/21/03/07/1128210307.db2.gz WLVRYTJYFSJSKA-CLAROIROSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cnn(CCCCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000072974913 1128312024 /nfs/dbraw/zinc/31/20/24/1128312024.db2.gz UUQTXHXIFARTMN-SFTDATJTSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1cnn(CCCCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072974913 1128312027 /nfs/dbraw/zinc/31/20/27/1128312027.db2.gz UUQTXHXIFARTMN-SFTDATJTSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072974913 1128312031 /nfs/dbraw/zinc/31/20/31/1128312031.db2.gz UUQTXHXIFARTMN-SFTDATJTSA-N 2 1 346.563 3.948 20 0 EHADMP COc1ccc([C@H]2C[C@H]([N@@H+](C(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168620142 1128471446 /nfs/dbraw/zinc/47/14/46/1128471446.db2.gz ZZWMSHPBMPQXHZ-ANTGDGSKSA-N 2 1 346.515 3.896 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000338686262 1128529537 /nfs/dbraw/zinc/52/95/37/1128529537.db2.gz DVVNTDNXBVMHCC-KRWDZBQOSA-N 2 1 337.305 3.900 20 0 EHADMP Cn1ccnc1C[C@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000921799315 1128772185 /nfs/dbraw/zinc/77/21/85/1128772185.db2.gz FPKQUNFDMOKGBV-FQEVSTJZSA-N 2 1 346.478 3.768 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC000656198481 1128808897 /nfs/dbraw/zinc/80/88/97/1128808897.db2.gz XDGMYROTJIRFGA-ZIAGYGMSSA-N 2 1 327.453 3.916 20 0 EHADMP CC(C)n1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC001648792830 1120035071 /nfs/dbraw/zinc/03/50/71/1120035071.db2.gz WTIYHAFKLRYFIB-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP COc1nsc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC001648810932 1120045985 /nfs/dbraw/zinc/04/59/85/1120045985.db2.gz AAEZGHFISALICL-BETUJISGSA-N 2 1 345.940 3.653 20 0 EHADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441446470 1120274097 /nfs/dbraw/zinc/27/40/97/1120274097.db2.gz ITDDNINMFPAAEL-HXUWFJFHSA-N 2 1 330.516 3.880 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000186931754 1120480843 /nfs/dbraw/zinc/48/08/43/1120480843.db2.gz VMFAAACXQLANNB-FQEVSTJZSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000192750440 1120746761 /nfs/dbraw/zinc/74/67/61/1120746761.db2.gz CQBPPCMWSIPBMU-ICSRJNTNSA-N 2 1 347.547 3.777 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000195139322 1120767194 /nfs/dbraw/zinc/76/71/94/1120767194.db2.gz ZKPOAUKRRGAXCK-UYAOXDASSA-N 2 1 337.511 3.925 20 0 EHADMP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000494976434 1120925109 /nfs/dbraw/zinc/92/51/09/1120925109.db2.gz QDXNVLNXINKBOX-XZSMBWTPSA-N 2 1 346.490 3.900 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)o1 ZINC000495186365 1120982459 /nfs/dbraw/zinc/98/24/59/1120982459.db2.gz XHIKAYQYFGRJKQ-KXBFYZLASA-N 2 1 328.431 3.920 20 0 EHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495432598 1121196283 /nfs/dbraw/zinc/19/62/83/1121196283.db2.gz JPKRRWPVPSYQRS-BVSLBCMMSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000237526332 1121486252 /nfs/dbraw/zinc/48/62/52/1121486252.db2.gz KXZONKZCFPWDGF-INIZCTEOSA-N 2 1 329.488 3.519 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000356668222 1128987676 /nfs/dbraw/zinc/98/76/76/1128987676.db2.gz CPKCLKXMJHVJPY-MRXNPFEDSA-N 2 1 334.261 3.621 20 0 EHADMP COc1cccc2cc(C[NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)oc21 ZINC000915678444 1121580754 /nfs/dbraw/zinc/58/07/54/1121580754.db2.gz MTYRGXYSARGJHZ-IYBDPMFKSA-N 2 1 330.472 3.899 20 0 EHADMP COc1cccc2cc(C[NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)oc21 ZINC000915678444 1121580759 /nfs/dbraw/zinc/58/07/59/1121580759.db2.gz MTYRGXYSARGJHZ-IYBDPMFKSA-N 2 1 330.472 3.899 20 0 EHADMP N[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612380 1121826334 /nfs/dbraw/zinc/82/63/34/1121826334.db2.gz RYGDRQJVOILLMI-VXKWHMMOSA-N 2 1 335.495 3.633 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398134438 1121971810 /nfs/dbraw/zinc/97/18/10/1121971810.db2.gz KNOGTSRSOWTLEX-XXMUNEJQSA-N 2 1 335.495 3.631 20 0 EHADMP Brc1csc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000062034059 1122227155 /nfs/dbraw/zinc/22/71/55/1122227155.db2.gz LOSHEJZSKMXCOK-UHFFFAOYSA-N 2 1 343.334 3.818 20 0 EHADMP C[C@@H](C[NH2+]Cc1cc(Br)cs1)C[NH+]1CCCCC1 ZINC000037997592 1122247519 /nfs/dbraw/zinc/24/75/19/1122247519.db2.gz NBXCIIICZJKZOU-LBPRGKRZSA-N 2 1 331.323 3.722 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061098 1122799213 /nfs/dbraw/zinc/79/92/13/1122799213.db2.gz SETXMGYDSSKPDE-CBQOVEMMSA-N 2 1 337.511 3.936 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061098 1122799217 /nfs/dbraw/zinc/79/92/17/1122799217.db2.gz SETXMGYDSSKPDE-CBQOVEMMSA-N 2 1 337.511 3.936 20 0 EHADMP C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000556063907 1122799730 /nfs/dbraw/zinc/79/97/30/1122799730.db2.gz NCTAKSFUSKKUMY-LELZANKISA-N 2 1 328.500 3.729 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@@H]3C(C)=CCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000152618675 1122848074 /nfs/dbraw/zinc/84/80/74/1122848074.db2.gz JHPNMJYIEALMCG-HNAYVOBHSA-N 2 1 328.504 3.644 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000131112889 1123046246 /nfs/dbraw/zinc/04/62/46/1123046246.db2.gz MMRMLLFYOXFTDD-KRWDZBQOSA-N 2 1 327.472 3.615 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3cccc(F)c3)C2)CC1 ZINC000498821538 1123077201 /nfs/dbraw/zinc/07/72/01/1123077201.db2.gz JMIAFNNYKKRBGX-GOSISDBHSA-N 2 1 334.479 3.648 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3cccc(F)c3)C2)CC1 ZINC000498821538 1123077207 /nfs/dbraw/zinc/07/72/07/1123077207.db2.gz JMIAFNNYKKRBGX-GOSISDBHSA-N 2 1 334.479 3.648 20 0 EHADMP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000919739451 1123136309 /nfs/dbraw/zinc/13/63/09/1123136309.db2.gz VEFZLWDJRMJDDV-AEFFLSMTSA-N 2 1 330.472 3.663 20 0 EHADMP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000919739451 1123136311 /nfs/dbraw/zinc/13/63/11/1123136311.db2.gz VEFZLWDJRMJDDV-AEFFLSMTSA-N 2 1 330.472 3.663 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868636 1123159275 /nfs/dbraw/zinc/15/92/75/1123159275.db2.gz URCMZBZAVUCUBA-BBRMVZONSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCCC[C@H]2O)CC1 ZINC000556873108 1123163198 /nfs/dbraw/zinc/16/31/98/1123163198.db2.gz SZGHHFQLAVYQGP-XABBQPORSA-N 2 1 344.543 3.960 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858962 1123169478 /nfs/dbraw/zinc/16/94/78/1123169478.db2.gz FIBHMROWVUNIQH-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858962 1123169482 /nfs/dbraw/zinc/16/94/82/1123169482.db2.gz FIBHMROWVUNIQH-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858962 1123169485 /nfs/dbraw/zinc/16/94/85/1123169485.db2.gz FIBHMROWVUNIQH-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858962 1123169489 /nfs/dbraw/zinc/16/94/89/1123169489.db2.gz FIBHMROWVUNIQH-UONOGXRCSA-N 2 1 330.394 3.920 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CCCNc3ccccc3)CC2)cc1 ZINC000132033652 1123196746 /nfs/dbraw/zinc/19/67/46/1123196746.db2.gz JJIDFBUTQKYXGU-UHFFFAOYSA-N 2 1 337.511 3.785 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000132288003 1123216567 /nfs/dbraw/zinc/21/65/67/1123216567.db2.gz LTGTWGMPDGXLHD-QGZVFWFLSA-N 2 1 340.515 3.601 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000132288003 1123216569 /nfs/dbraw/zinc/21/65/69/1123216569.db2.gz LTGTWGMPDGXLHD-QGZVFWFLSA-N 2 1 340.515 3.601 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000132287830 1123216582 /nfs/dbraw/zinc/21/65/82/1123216582.db2.gz LTGTWGMPDGXLHD-KRWDZBQOSA-N 2 1 340.515 3.601 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000132287830 1123216584 /nfs/dbraw/zinc/21/65/84/1123216584.db2.gz LTGTWGMPDGXLHD-KRWDZBQOSA-N 2 1 340.515 3.601 20 0 EHADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499230259 1123284096 /nfs/dbraw/zinc/28/40/96/1123284096.db2.gz RQAOKQIJRFQJHN-OFOKGCAXSA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135166707 1123588264 /nfs/dbraw/zinc/58/82/64/1123588264.db2.gz MLTCRWFGIVCEOC-GFCCVEGCSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135166707 1123588268 /nfs/dbraw/zinc/58/82/68/1123588268.db2.gz MLTCRWFGIVCEOC-GFCCVEGCSA-N 2 1 345.712 3.922 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137069593 1123748491 /nfs/dbraw/zinc/74/84/91/1123748491.db2.gz KESIEMIHTCGBPN-UHFFFAOYSA-N 2 1 331.685 3.676 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096109 1123775374 /nfs/dbraw/zinc/77/53/74/1123775374.db2.gz JGBVZMYRLNOCJA-CRAIPNDOSA-N 2 1 329.513 3.972 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096109 1123775376 /nfs/dbraw/zinc/77/53/76/1123775376.db2.gz JGBVZMYRLNOCJA-CRAIPNDOSA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096109 1123775379 /nfs/dbraw/zinc/77/53/79/1123775379.db2.gz JGBVZMYRLNOCJA-CRAIPNDOSA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096109 1123775380 /nfs/dbraw/zinc/77/53/80/1123775380.db2.gz JGBVZMYRLNOCJA-CRAIPNDOSA-N 2 1 329.513 3.972 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000245668053 1123917483 /nfs/dbraw/zinc/91/74/83/1123917483.db2.gz GXSHDGZBGDJODD-HAGHYFMRSA-N 2 1 330.516 3.833 20 0 EHADMP OC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCCC1 ZINC000245761871 1123948577 /nfs/dbraw/zinc/94/85/77/1123948577.db2.gz VSPIYZDHXFDVAE-WKCHPHFGSA-N 2 1 342.527 3.857 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245858992 1123963777 /nfs/dbraw/zinc/96/37/77/1123963777.db2.gz HPRNVWSKAZJRAQ-XUVXKRRUSA-N 2 1 330.516 3.820 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)C12CCC2 ZINC000453122391 1129164325 /nfs/dbraw/zinc/16/43/25/1129164325.db2.gz MTKRDHAFQJXCJW-NSISKUIASA-N 2 1 328.500 3.759 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)nc1-c1ccccc1 ZINC000246468290 1124474463 /nfs/dbraw/zinc/47/44/63/1124474463.db2.gz QHJIMPZHOBDYAM-IIDMSEBBSA-N 2 1 343.540 3.979 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3cc(Cl)ccc3C)C2)[C@H](C)C1 ZINC000247072048 1124585860 /nfs/dbraw/zinc/58/58/60/1124585860.db2.gz QFIGJIKLOPWNDH-LMMKCTJWSA-N 2 1 349.950 3.795 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)C1 ZINC000247119914 1124589458 /nfs/dbraw/zinc/58/94/58/1124589458.db2.gz RBAJWXIKQYHURV-ZBFHGGJFSA-N 2 1 344.528 3.896 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000247183890 1124593645 /nfs/dbraw/zinc/59/36/45/1124593645.db2.gz VKXBPIDRIHNYOO-DLBZAZTESA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000247183890 1124593650 /nfs/dbraw/zinc/59/36/50/1124593650.db2.gz VKXBPIDRIHNYOO-DLBZAZTESA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1F ZINC000247217103 1124595862 /nfs/dbraw/zinc/59/58/62/1124595862.db2.gz XJDAPQPAATXTTP-DLBZAZTESA-N 2 1 342.458 3.897 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000248135406 1124641634 /nfs/dbraw/zinc/64/16/34/1124641634.db2.gz OZXMQLNSCHKGIA-LRDDRELGSA-N 2 1 328.378 3.504 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000248434462 1124662375 /nfs/dbraw/zinc/66/23/75/1124662375.db2.gz DXIIGFSIDFBPGJ-XMSQKQJNSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000248531019 1124670276 /nfs/dbraw/zinc/67/02/76/1124670276.db2.gz NSWOKBLGPPTUOP-QZTJIDSGSA-N 2 1 326.488 3.787 20 0 EHADMP CN(CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000522017925 1124721797 /nfs/dbraw/zinc/72/17/97/1124721797.db2.gz MTXQTBNHWZIRJC-RBBKRZOGSA-N 2 1 337.511 3.938 20 0 EHADMP CN(CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000522017925 1124721805 /nfs/dbraw/zinc/72/18/05/1124721805.db2.gz MTXQTBNHWZIRJC-RBBKRZOGSA-N 2 1 337.511 3.938 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000261905539 1125389912 /nfs/dbraw/zinc/38/99/12/1125389912.db2.gz PIMVIQZQTRBYGF-IMJJTQAJSA-N 2 1 329.875 3.756 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000152894803 1125393426 /nfs/dbraw/zinc/39/34/26/1125393426.db2.gz JAYZKPCJVOMKBH-ICSRJNTNSA-N 2 1 329.532 3.551 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)CC2 ZINC000358974099 1129429805 /nfs/dbraw/zinc/42/98/05/1129429805.db2.gz YKXCXBNGOIWCMU-VQIMIIECSA-N 2 1 346.515 3.649 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC000922808266 1129677660 /nfs/dbraw/zinc/67/76/60/1129677660.db2.gz WSYXSRSWXJWCQC-OAQYLSRUSA-N 2 1 342.527 3.775 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528570967 1130035913 /nfs/dbraw/zinc/03/59/13/1130035913.db2.gz DYENZAFDHXMWQH-UHFFFAOYSA-N 2 1 331.435 3.654 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658138806 1130191729 /nfs/dbraw/zinc/19/17/29/1130191729.db2.gz OIBJJFRPMFNPJB-RTWAWAEBSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139202 1130389176 /nfs/dbraw/zinc/38/91/76/1130389176.db2.gz NKIDNLUDAMJJDY-NSISKUIASA-N 2 1 344.524 3.598 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139202 1130389180 /nfs/dbraw/zinc/38/91/80/1130389180.db2.gz NKIDNLUDAMJJDY-NSISKUIASA-N 2 1 344.524 3.598 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310851042 1130411886 /nfs/dbraw/zinc/41/18/86/1130411886.db2.gz PPYHJEUODDAVGW-JBACZVJFSA-N 2 1 342.527 3.978 20 0 EHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880614 1130499708 /nfs/dbraw/zinc/49/97/08/1130499708.db2.gz GMWBNTCHEMPKDS-LEWJYISDSA-N 2 1 330.516 3.631 20 0 EHADMP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883177 1130501179 /nfs/dbraw/zinc/50/11/79/1130501179.db2.gz XIICNTFSWPAXEA-BEFAXECRSA-N 2 1 334.891 3.560 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222336 1130547713 /nfs/dbraw/zinc/54/77/13/1130547713.db2.gz KVGABIZREVAZPW-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222336 1130547718 /nfs/dbraw/zinc/54/77/18/1130547718.db2.gz KVGABIZREVAZPW-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222336 1130547724 /nfs/dbraw/zinc/54/77/24/1130547724.db2.gz KVGABIZREVAZPW-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285541500 1130625159 /nfs/dbraw/zinc/62/51/59/1130625159.db2.gz GAGGZZZYVPJBQF-BBWFWOEESA-N 2 1 326.488 3.738 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000285541500 1130625164 /nfs/dbraw/zinc/62/51/64/1130625164.db2.gz GAGGZZZYVPJBQF-BBWFWOEESA-N 2 1 326.488 3.738 20 0 EHADMP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000348060895 1131145886 /nfs/dbraw/zinc/14/58/86/1131145886.db2.gz VJQFOJPEUOOVRP-INIZCTEOSA-N 2 1 346.519 3.523 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000766250713 1131527355 /nfs/dbraw/zinc/52/73/55/1131527355.db2.gz UMYCAZSJHSCPRO-QFIPXVFZSA-N 2 1 349.478 3.736 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000766250713 1131527356 /nfs/dbraw/zinc/52/73/56/1131527356.db2.gz UMYCAZSJHSCPRO-QFIPXVFZSA-N 2 1 349.478 3.736 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886385 1131553870 /nfs/dbraw/zinc/55/38/70/1131553870.db2.gz QBUJEDXZZYRMRT-QAPCUYQASA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886385 1131553875 /nfs/dbraw/zinc/55/38/75/1131553875.db2.gz QBUJEDXZZYRMRT-QAPCUYQASA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886385 1131553878 /nfs/dbraw/zinc/55/38/78/1131553878.db2.gz QBUJEDXZZYRMRT-QAPCUYQASA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886385 1131553882 /nfs/dbraw/zinc/55/38/82/1131553882.db2.gz QBUJEDXZZYRMRT-QAPCUYQASA-N 2 1 342.483 3.660 20 0 EHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172454265 1131748076 /nfs/dbraw/zinc/74/80/76/1131748076.db2.gz JMDAFBOXNQYHHJ-CEWLAPEOSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172454265 1131748082 /nfs/dbraw/zinc/74/80/82/1131748082.db2.gz JMDAFBOXNQYHHJ-CEWLAPEOSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172454265 1131748089 /nfs/dbraw/zinc/74/80/89/1131748089.db2.gz JMDAFBOXNQYHHJ-CEWLAPEOSA-N 2 1 330.516 3.644 20 0 EHADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172563141 1131772709 /nfs/dbraw/zinc/77/27/09/1131772709.db2.gz IAVQEUKBWXWXEN-DENIHFKCSA-N 2 1 342.527 3.898 20 0 EHADMP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583301 1131793129 /nfs/dbraw/zinc/79/31/29/1131793129.db2.gz HIXSXNAGNDEARV-MELADBBJSA-N 2 1 342.861 3.823 20 0 EHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583301 1131793135 /nfs/dbraw/zinc/79/31/35/1131793135.db2.gz HIXSXNAGNDEARV-MELADBBJSA-N 2 1 342.861 3.823 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583301 1131793139 /nfs/dbraw/zinc/79/31/39/1131793139.db2.gz HIXSXNAGNDEARV-MELADBBJSA-N 2 1 342.861 3.823 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCc3c(F)cc(Cl)cc3F)C[C@@H]2C1 ZINC001172583301 1131793144 /nfs/dbraw/zinc/79/31/44/1131793144.db2.gz HIXSXNAGNDEARV-MELADBBJSA-N 2 1 342.861 3.823 20 0 EHADMP CC1(C)CC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC(C)(C)O1 ZINC001172657366 1131802463 /nfs/dbraw/zinc/80/24/63/1131802463.db2.gz ZPSYQYXUKGCEPP-HOTGVXAUSA-N 2 1 348.556 3.848 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828230 1131854480 /nfs/dbraw/zinc/85/44/80/1131854480.db2.gz KRRIWJUCMFJOIE-KCZVDYSFSA-N 2 1 342.527 3.603 20 0 EHADMP Cc1ccc2c(c1)C[C@@H](N(c1[nH+]cccc1C)C1CC[NH2+]CC1)CC2 ZINC001172836280 1131857384 /nfs/dbraw/zinc/85/73/84/1131857384.db2.gz AGNGPJNJORLHQD-NRFANRHFSA-N 2 1 335.495 3.814 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951582 1131928301 /nfs/dbraw/zinc/92/83/01/1131928301.db2.gz RTFUPOGIAJVAPT-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951582 1131928307 /nfs/dbraw/zinc/92/83/07/1131928307.db2.gz RTFUPOGIAJVAPT-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001173172514 1132001278 /nfs/dbraw/zinc/00/12/78/1132001278.db2.gz UTYAJWVENUSVLW-SCTDSRPQSA-N 2 1 332.488 3.524 20 0 EHADMP CCSC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001173308039 1132036439 /nfs/dbraw/zinc/03/64/39/1132036439.db2.gz KUAUQXSCCHUHDM-DFQSSKMNSA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001173308039 1132036444 /nfs/dbraw/zinc/03/64/44/1132036444.db2.gz KUAUQXSCCHUHDM-DFQSSKMNSA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001173308039 1132036451 /nfs/dbraw/zinc/03/64/51/1132036451.db2.gz KUAUQXSCCHUHDM-DFQSSKMNSA-N 2 1 332.557 3.972 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2)cc1 ZINC001206210774 1132114820 /nfs/dbraw/zinc/11/48/20/1132114820.db2.gz LLIOPGLNSYLUBA-NHCUHLMSSA-N 2 1 341.474 3.681 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2)cc1 ZINC001206210774 1132114826 /nfs/dbraw/zinc/11/48/26/1132114826.db2.gz LLIOPGLNSYLUBA-NHCUHLMSSA-N 2 1 341.474 3.681 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206210772 1132115313 /nfs/dbraw/zinc/11/53/13/1132115313.db2.gz LLIOPGLNSYLUBA-LEWJYISDSA-N 2 1 341.474 3.681 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206210772 1132115317 /nfs/dbraw/zinc/11/53/17/1132115317.db2.gz LLIOPGLNSYLUBA-LEWJYISDSA-N 2 1 341.474 3.681 20 0 EHADMP COCC[NH+]1CCC([NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173685627 1132124500 /nfs/dbraw/zinc/12/45/00/1132124500.db2.gz YFBHHVJXJBVYIG-UHFFFAOYSA-N 2 1 342.527 3.514 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708153 1132130059 /nfs/dbraw/zinc/13/00/59/1132130059.db2.gz OGCIXQHPVDHCOS-SFTDATJTSA-N 2 1 336.479 3.546 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708153 1132130063 /nfs/dbraw/zinc/13/00/63/1132130063.db2.gz OGCIXQHPVDHCOS-SFTDATJTSA-N 2 1 336.479 3.546 20 0 EHADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1c1ccccc1 ZINC000766331023 1132239563 /nfs/dbraw/zinc/23/95/63/1132239563.db2.gz ZHIYKJKNCUEWPP-NJDAHSKKSA-N 2 1 342.527 3.802 20 0 EHADMP c1ccc(C[NH+](CCC[NH2+][C@H]2CCCOC2)Cc2ccccc2)cc1 ZINC000390595978 1132515562 /nfs/dbraw/zinc/51/55/62/1132515562.db2.gz VTUWPRSFRAQHSU-QFIPXVFZSA-N 2 1 338.495 3.848 20 0 EHADMP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001169069725 1132650585 /nfs/dbraw/zinc/65/05/85/1132650585.db2.gz HRXINGJSYUCSAL-LJQANCHMSA-N 2 1 343.515 3.774 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099573 1132655296 /nfs/dbraw/zinc/65/52/96/1132655296.db2.gz BTAGQBYMFCLHJP-PDOICOKGSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(Br)cc1)C2 ZINC001169089798 1132660152 /nfs/dbraw/zinc/66/01/52/1132660152.db2.gz FZPDJWZLMKSTJY-MUJYYYPQSA-N 2 1 337.305 3.899 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(Cl)cc3)CCOCC1)C2 ZINC001169109390 1132671358 /nfs/dbraw/zinc/67/13/58/1132671358.db2.gz BSLVACHQIAKMNS-REPLKXPHSA-N 2 1 348.918 3.647 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC001169258555 1132710970 /nfs/dbraw/zinc/71/09/70/1132710970.db2.gz MCIFFEKFEPYXJG-UHFFFAOYSA-N 2 1 329.513 3.960 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CCC[C@H]1C[NH3+] ZINC001206011900 1132758321 /nfs/dbraw/zinc/75/83/21/1132758321.db2.gz GZVJYGXSPKDNBY-AEFFLSMTSA-N 2 1 331.504 3.600 20 0 EHADMP CCc1sc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206012365 1132774873 /nfs/dbraw/zinc/77/48/73/1132774873.db2.gz KWWIVCVAYDSMAB-VXGBXAGGSA-N 2 1 345.350 3.880 20 0 EHADMP CC(C)(C)c1cc(Nc2cccc(C[NH+]3CCOCC3)c2)cc[nH+]1 ZINC001175857465 1132784504 /nfs/dbraw/zinc/78/45/04/1132784504.db2.gz ZZESZQGHLYOQCF-UHFFFAOYSA-N 2 1 325.456 3.955 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013021 1132789575 /nfs/dbraw/zinc/78/95/75/1132789575.db2.gz OUACHMSYBJVQFW-DGCLKSJQSA-N 2 1 345.712 3.909 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001177505985 1133071517 /nfs/dbraw/zinc/07/15/17/1133071517.db2.gz AXRUMIMTIFWUAG-UHFFFAOYSA-N 2 1 340.471 3.623 20 0 EHADMP CC(C)[PH+](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1)C(C)C ZINC001177629631 1133089065 /nfs/dbraw/zinc/08/90/65/1133089065.db2.gz QDOWHFHKMFNRQJ-QGZVFWFLSA-N 2 1 338.432 3.659 20 0 EHADMP CC(C)[PH+](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccco1)C(C)C ZINC001177629631 1133089071 /nfs/dbraw/zinc/08/90/71/1133089071.db2.gz QDOWHFHKMFNRQJ-QGZVFWFLSA-N 2 1 338.432 3.659 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001206318768 1133143512 /nfs/dbraw/zinc/14/35/12/1133143512.db2.gz UCVIHXMKIMDWSA-AWEZNQCLSA-N 2 1 335.801 3.705 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC001178249307 1133145404 /nfs/dbraw/zinc/14/54/04/1133145404.db2.gz MFVZUELOTNGPGK-KRWDZBQOSA-N 2 1 340.458 3.788 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001178285890 1133153120 /nfs/dbraw/zinc/15/31/20/1133153120.db2.gz VIKVKMLWPDBSHI-CEMLEFRQSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001178285890 1133153124 /nfs/dbraw/zinc/15/31/24/1133153124.db2.gz VIKVKMLWPDBSHI-CEMLEFRQSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1cc(Br)sc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206325280 1133158072 /nfs/dbraw/zinc/15/80/72/1133158072.db2.gz HBGLDUNEUBAILW-AWEZNQCLSA-N 2 1 331.323 3.770 20 0 EHADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585579 1133179903 /nfs/dbraw/zinc/17/99/03/1133179903.db2.gz XPZMAOYWEKDNGQ-IEBWSBKVSA-N 2 1 328.500 3.939 20 0 EHADMP COc1cccc2cc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)oc21 ZINC000769513483 1133306491 /nfs/dbraw/zinc/30/64/91/1133306491.db2.gz AKNCSJCCBZSTHI-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP COc1cccc2cc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)oc21 ZINC000769513483 1133306494 /nfs/dbraw/zinc/30/64/94/1133306494.db2.gz AKNCSJCCBZSTHI-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)oc21 ZINC000769513483 1133306496 /nfs/dbraw/zinc/30/64/96/1133306496.db2.gz AKNCSJCCBZSTHI-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)oc21 ZINC000769513483 1133306501 /nfs/dbraw/zinc/30/65/01/1133306501.db2.gz AKNCSJCCBZSTHI-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000769686140 1133324622 /nfs/dbraw/zinc/32/46/22/1133324622.db2.gz VEYHVENLFFTDNY-TWMKSMIVSA-N 2 1 341.540 3.531 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000769686140 1133324626 /nfs/dbraw/zinc/32/46/26/1133324626.db2.gz VEYHVENLFFTDNY-TWMKSMIVSA-N 2 1 341.540 3.531 20 0 EHADMP Cc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Br ZINC001206554904 1133765069 /nfs/dbraw/zinc/76/50/69/1133765069.db2.gz IENUIXPWFKJUMY-MRXNPFEDSA-N 2 1 325.294 3.708 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Br ZINC001206554904 1133765072 /nfs/dbraw/zinc/76/50/72/1133765072.db2.gz IENUIXPWFKJUMY-MRXNPFEDSA-N 2 1 325.294 3.708 20 0 EHADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C[NH+](C)C ZINC001183754667 1133854198 /nfs/dbraw/zinc/85/41/98/1133854198.db2.gz HMDAQYHYPUTYND-YTQUADARSA-N 2 1 338.923 3.923 20 0 EHADMP CCc1sc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205281857 1133856576 /nfs/dbraw/zinc/85/65/76/1133856576.db2.gz YYUORJKEQNCSDR-CQSZACIVSA-N 2 1 331.323 3.776 20 0 EHADMP CCc1sc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205281857 1133856585 /nfs/dbraw/zinc/85/65/85/1133856585.db2.gz YYUORJKEQNCSDR-CQSZACIVSA-N 2 1 331.323 3.776 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000746675070 1133992306 /nfs/dbraw/zinc/99/23/06/1133992306.db2.gz ZLJRQSKCZDEOIM-DBXWQHBBSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000746675070 1133992309 /nfs/dbraw/zinc/99/23/09/1133992309.db2.gz ZLJRQSKCZDEOIM-DBXWQHBBSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000746675070 1133992314 /nfs/dbraw/zinc/99/23/14/1133992314.db2.gz ZLJRQSKCZDEOIM-DBXWQHBBSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000746675070 1133992318 /nfs/dbraw/zinc/99/23/18/1133992318.db2.gz ZLJRQSKCZDEOIM-DBXWQHBBSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000746675070 1133992321 /nfs/dbraw/zinc/99/23/21/1133992321.db2.gz ZLJRQSKCZDEOIM-DBXWQHBBSA-N 2 1 348.506 3.754 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821776 1134177375 /nfs/dbraw/zinc/17/73/75/1134177375.db2.gz ZKLSYCSFFGEKQE-APWZRJJASA-N 2 1 339.483 3.739 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821776 1134177383 /nfs/dbraw/zinc/17/73/83/1134177383.db2.gz ZKLSYCSFFGEKQE-APWZRJJASA-N 2 1 339.483 3.739 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001170181114 1134699760 /nfs/dbraw/zinc/69/97/60/1134699760.db2.gz DGTWTVCWSNJQPI-SBEYASLNSA-N 2 1 348.490 3.521 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001191453229 1134861219 /nfs/dbraw/zinc/86/12/19/1134861219.db2.gz DORLHLCXOBQFCD-PMACEKPBSA-N 2 1 330.516 3.539 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n(C)n1 ZINC000793523047 1134946302 /nfs/dbraw/zinc/94/63/02/1134946302.db2.gz HNZCXOXAJPLYFD-ROUUACIJSA-N 2 1 340.515 3.954 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC(C)(C)CO1 ZINC001192909903 1135071546 /nfs/dbraw/zinc/07/15/46/1135071546.db2.gz PENMYOFPTHZZGR-FQEVSTJZSA-N 2 1 345.531 3.825 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)CC[C@H]1C[NH3+] ZINC001205616219 1135071723 /nfs/dbraw/zinc/07/17/23/1135071723.db2.gz DPAULZCVKCTFEJ-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)CC[C@H]1C[NH3+] ZINC001205616219 1135071725 /nfs/dbraw/zinc/07/17/25/1135071725.db2.gz DPAULZCVKCTFEJ-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)CC[C@H]1C[NH3+] ZINC001205627019 1135120989 /nfs/dbraw/zinc/12/09/89/1135120989.db2.gz LPCKIOGCSOTISI-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)CC[C@H]1C[NH3+] ZINC001205627019 1135120993 /nfs/dbraw/zinc/12/09/93/1135120993.db2.gz LPCKIOGCSOTISI-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205628259 1135132691 /nfs/dbraw/zinc/13/26/91/1135132691.db2.gz UEPHOGSDIZKIFD-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205628259 1135132692 /nfs/dbraw/zinc/13/26/92/1135132692.db2.gz UEPHOGSDIZKIFD-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205629468 1135133892 /nfs/dbraw/zinc/13/38/92/1135133892.db2.gz ZBOXEEIIIVTHJN-DGCLKSJQSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205636847 1135151119 /nfs/dbraw/zinc/15/11/19/1135151119.db2.gz FNAGBLWOSDSQBL-YPMHNXCESA-N 2 1 343.284 3.703 20 0 EHADMP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651880 1135224949 /nfs/dbraw/zinc/22/49/49/1135224949.db2.gz KZPXCRFCFUCZTE-YPMHNXCESA-N 2 1 343.284 3.703 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205652063 1135225757 /nfs/dbraw/zinc/22/57/57/1135225757.db2.gz NVNGOSLGJDWOKT-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205652063 1135225758 /nfs/dbraw/zinc/22/57/58/1135225758.db2.gz NVNGOSLGJDWOKT-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000806159095 1135404307 /nfs/dbraw/zinc/40/43/07/1135404307.db2.gz XOPQVKDIZNLAQM-ZQIUZPCESA-N 2 1 333.907 3.965 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000809704930 1135875182 /nfs/dbraw/zinc/87/51/82/1135875182.db2.gz JBXBRJRYKNJONT-SJPCQFCGSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000809704930 1135875184 /nfs/dbraw/zinc/87/51/84/1135875184.db2.gz JBXBRJRYKNJONT-SJPCQFCGSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000809704930 1135875186 /nfs/dbraw/zinc/87/51/86/1135875186.db2.gz JBXBRJRYKNJONT-SJPCQFCGSA-N 2 1 337.305 3.815 20 0 EHADMP C[NH+](C)[C@H](CNc1cc(C[NH3+])ccn1)c1ccc(Cl)cc1Cl ZINC001170585843 1135875209 /nfs/dbraw/zinc/87/52/09/1135875209.db2.gz OPNGPOIXIRXMSV-OAHLLOKOSA-N 2 1 339.270 3.562 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC001199336590 1135895681 /nfs/dbraw/zinc/89/56/81/1135895681.db2.gz SCBQDHQUXPUJSM-PXNSSMCTSA-N 2 1 330.516 3.797 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001199413438 1135904536 /nfs/dbraw/zinc/90/45/36/1135904536.db2.gz OJCPLIFSDXJRKC-UHFFFAOYSA-N 2 1 344.890 3.694 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912433 1135991308 /nfs/dbraw/zinc/99/13/08/1135991308.db2.gz AHMQBQXCAGISRA-ZIAGYGMSSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912433 1135991310 /nfs/dbraw/zinc/99/13/10/1135991310.db2.gz AHMQBQXCAGISRA-ZIAGYGMSSA-N 2 1 325.294 3.625 20 0 EHADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](CC4CCCCC4)CC3)C2)co1 ZINC001201388666 1136014931 /nfs/dbraw/zinc/01/49/31/1136014931.db2.gz DJBAAQNSSFUQKN-UHFFFAOYSA-N 2 1 332.488 3.527 20 0 EHADMP c1cc(C[N@H+]2CCOC3(CC[NH+](CC4CCCCC4)CC3)C2)co1 ZINC001201388666 1136014934 /nfs/dbraw/zinc/01/49/34/1136014934.db2.gz DJBAAQNSSFUQKN-UHFFFAOYSA-N 2 1 332.488 3.527 20 0 EHADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201503350 1136029234 /nfs/dbraw/zinc/02/92/34/1136029234.db2.gz OOLWENQNQWTZCH-AZUAARDMSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510106 1136030711 /nfs/dbraw/zinc/03/07/11/1136030711.db2.gz XPTWOVWISNYDAS-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@H](C)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510106 1136030715 /nfs/dbraw/zinc/03/07/15/1136030715.db2.gz XPTWOVWISNYDAS-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@H](C)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510106 1136030721 /nfs/dbraw/zinc/03/07/21/1136030721.db2.gz XPTWOVWISNYDAS-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@H](C)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510106 1136030723 /nfs/dbraw/zinc/03/07/23/1136030723.db2.gz XPTWOVWISNYDAS-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP CCC[C@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201541139 1136033940 /nfs/dbraw/zinc/03/39/40/1136033940.db2.gz DAHOSPGEHYHAAP-AZUAARDMSA-N 2 1 345.531 3.573 20 0 EHADMP CC(C)CC[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201621113 1136047965 /nfs/dbraw/zinc/04/79/65/1136047965.db2.gz YLCSOHQIAWVSJQ-UHFFFAOYSA-N 2 1 327.472 3.711 20 0 EHADMP CC(C)CC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201621113 1136047968 /nfs/dbraw/zinc/04/79/68/1136047968.db2.gz YLCSOHQIAWVSJQ-UHFFFAOYSA-N 2 1 327.472 3.711 20 0 EHADMP CC(C)CC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001201621113 1136047972 /nfs/dbraw/zinc/04/79/72/1136047972.db2.gz YLCSOHQIAWVSJQ-UHFFFAOYSA-N 2 1 327.472 3.711 20 0 EHADMP CC(C)CC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001201621113 1136047973 /nfs/dbraw/zinc/04/79/73/1136047973.db2.gz YLCSOHQIAWVSJQ-UHFFFAOYSA-N 2 1 327.472 3.711 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)CC1 ZINC000811501314 1136100578 /nfs/dbraw/zinc/10/05/78/1136100578.db2.gz WAJMJRICGITWRR-UHFFFAOYSA-N 2 1 342.405 3.719 20 0 EHADMP FC1(F)CC[N@@H+](CC2CCCC2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001202167842 1136104512 /nfs/dbraw/zinc/10/45/12/1136104512.db2.gz WJFVBHLNBHAOJA-IBGZPJMESA-N 2 1 349.469 3.805 20 0 EHADMP FC1(F)CC[N@H+](CC2CCCC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001202167842 1136104518 /nfs/dbraw/zinc/10/45/18/1136104518.db2.gz WJFVBHLNBHAOJA-IBGZPJMESA-N 2 1 349.469 3.805 20 0 EHADMP FC1(F)CC[N@@H+](CC2CCCC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001202167842 1136104521 /nfs/dbraw/zinc/10/45/21/1136104521.db2.gz WJFVBHLNBHAOJA-IBGZPJMESA-N 2 1 349.469 3.805 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202167006 1136104613 /nfs/dbraw/zinc/10/46/13/1136104613.db2.gz IVVDKROECAYSOT-HMXCVIKNSA-N 2 1 327.516 3.804 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202167006 1136104617 /nfs/dbraw/zinc/10/46/17/1136104617.db2.gz IVVDKROECAYSOT-HMXCVIKNSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001202167006 1136104620 /nfs/dbraw/zinc/10/46/20/1136104620.db2.gz IVVDKROECAYSOT-HMXCVIKNSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001202167006 1136104623 /nfs/dbraw/zinc/10/46/23/1136104623.db2.gz IVVDKROECAYSOT-HMXCVIKNSA-N 2 1 327.516 3.804 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000850483010 1136267459 /nfs/dbraw/zinc/26/74/59/1136267459.db2.gz NCOAHXMXWFSESX-CRAIPNDOSA-N 2 1 347.503 3.854 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2SCCS2)C3)cc1 ZINC000850562251 1136286401 /nfs/dbraw/zinc/28/64/01/1136286401.db2.gz YPRCBCODWWDMLT-OSYLJGHBSA-N 2 1 334.554 3.578 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850573676 1136289615 /nfs/dbraw/zinc/28/96/15/1136289615.db2.gz PJPSRUIAQGBKIE-OALUTQOASA-N 2 1 336.907 3.614 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000813880194 1136371722 /nfs/dbraw/zinc/37/17/22/1136371722.db2.gz CAEGPKHOPFFEBL-VOBGVNJCSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000813880194 1136371725 /nfs/dbraw/zinc/37/17/25/1136371725.db2.gz CAEGPKHOPFFEBL-VOBGVNJCSA-N 2 1 338.499 3.656 20 0 EHADMP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240614 1136521551 /nfs/dbraw/zinc/52/15/51/1136521551.db2.gz PHZZKTPRPMNDNT-SIKLNZKXSA-N 2 1 342.527 3.866 20 0 EHADMP Brc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001170853248 1136773393 /nfs/dbraw/zinc/77/33/93/1136773393.db2.gz DWGLKNMIXFFWPJ-QGZVFWFLSA-N 2 1 349.316 3.523 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCCCC3)C2)ccn1 ZINC000856561205 1136795623 /nfs/dbraw/zinc/79/56/23/1136795623.db2.gz UGXXACQYUPMGMS-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCCCC3)C2)ccn1 ZINC000856561205 1136795626 /nfs/dbraw/zinc/79/56/26/1136795626.db2.gz UGXXACQYUPMGMS-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCCCC3)C2)ccn1 ZINC000856561205 1136795630 /nfs/dbraw/zinc/79/56/30/1136795630.db2.gz UGXXACQYUPMGMS-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(C)CCC3)C2)ccn1 ZINC000856561428 1136795757 /nfs/dbraw/zinc/79/57/57/1136795757.db2.gz VMZDXCNSWANNSR-LJQANCHMSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561428 1136795760 /nfs/dbraw/zinc/79/57/60/1136795760.db2.gz VMZDXCNSWANNSR-LJQANCHMSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561428 1136795763 /nfs/dbraw/zinc/79/57/63/1136795763.db2.gz VMZDXCNSWANNSR-LJQANCHMSA-N 2 1 331.504 3.565 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2)CC1 ZINC000856764999 1136808153 /nfs/dbraw/zinc/80/81/53/1136808153.db2.gz DBRPAIDBWPZUHB-UHFFFAOYSA-N 2 1 346.906 3.595 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](CCCc2ccccc2Br)CC1 ZINC000429542541 1136868943 /nfs/dbraw/zinc/86/89/43/1136868943.db2.gz QWOJRDHSHUKTCB-INIZCTEOSA-N 2 1 339.321 3.798 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC000429542541 1136868946 /nfs/dbraw/zinc/86/89/46/1136868946.db2.gz QWOJRDHSHUKTCB-INIZCTEOSA-N 2 1 339.321 3.798 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000818960382 1136891254 /nfs/dbraw/zinc/89/12/54/1136891254.db2.gz BXQHUWAGMPTUFT-HXUWFJFHSA-N 2 1 348.437 3.628 20 0 EHADMP C[NH+](C)CCOc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000858398913 1136964371 /nfs/dbraw/zinc/96/43/71/1136964371.db2.gz LSMGVBDVTWXTEL-HNNXBMFYSA-N 2 1 339.911 3.565 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171009049 1137089634 /nfs/dbraw/zinc/08/96/34/1137089634.db2.gz IRVJICBIKIKRNO-SFHVURJKSA-N 2 1 339.458 3.645 20 0 EHADMP CC[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000823555250 1137105778 /nfs/dbraw/zinc/10/57/78/1137105778.db2.gz RRIMHVVLEMHYBR-CTNGQTDRSA-N 2 1 345.531 3.834 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862283583 1137137176 /nfs/dbraw/zinc/13/71/76/1137137176.db2.gz LDXLSOSHTWYEMR-HNAYVOBHSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862283583 1137137177 /nfs/dbraw/zinc/13/71/77/1137137177.db2.gz LDXLSOSHTWYEMR-HNAYVOBHSA-N 2 1 327.447 3.529 20 0 EHADMP CC[C@@]1([NH2+][C@@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246467746 1137183131 /nfs/dbraw/zinc/18/31/31/1137183131.db2.gz ZSGPLLNACXSMJM-XJKSGUPXSA-N 2 1 325.294 3.502 20 0 EHADMP CCN1CCC([N@H+](C)Cc2ccc(OC)c(OC(F)(F)F)c2)CC1 ZINC001143873028 1137207542 /nfs/dbraw/zinc/20/75/42/1137207542.db2.gz IEBMQQLVZXYYOQ-UHFFFAOYSA-N 2 1 346.393 3.510 20 0 EHADMP CCN1CCC([N@@H+](C)Cc2ccc(OC)c(OC(F)(F)F)c2)CC1 ZINC001143873028 1137207543 /nfs/dbraw/zinc/20/75/43/1137207543.db2.gz IEBMQQLVZXYYOQ-UHFFFAOYSA-N 2 1 346.393 3.510 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188377 1137251613 /nfs/dbraw/zinc/25/16/13/1137251613.db2.gz YIQKPSBWTMBOHQ-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188377 1137251614 /nfs/dbraw/zinc/25/16/14/1137251614.db2.gz YIQKPSBWTMBOHQ-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188377 1137251616 /nfs/dbraw/zinc/25/16/16/1137251616.db2.gz YIQKPSBWTMBOHQ-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188377 1137251618 /nfs/dbraw/zinc/25/16/18/1137251618.db2.gz YIQKPSBWTMBOHQ-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP CCc1noc(C)c1[C@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827003 1137267886 /nfs/dbraw/zinc/26/78/86/1137267886.db2.gz GQFXOLABSPRDEB-YJBOKZPZSA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794827003 1137267888 /nfs/dbraw/zinc/26/78/88/1137267888.db2.gz GQFXOLABSPRDEB-YJBOKZPZSA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827003 1137267889 /nfs/dbraw/zinc/26/78/89/1137267889.db2.gz GQFXOLABSPRDEB-YJBOKZPZSA-N 2 1 327.472 3.718 20 0 EHADMP CCc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001144318961 1137273638 /nfs/dbraw/zinc/27/36/38/1137273638.db2.gz QHGMOOJSBGZLGU-RTBURBONSA-N 2 1 326.509 3.874 20 0 EHADMP CCC(=O)Nc1cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)cc[nH+]1 ZINC001171167382 1137278118 /nfs/dbraw/zinc/27/81/18/1137278118.db2.gz JTERKLQLAYMJJY-AWEZNQCLSA-N 2 1 336.439 3.572 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)sc1C ZINC001144367927 1137279589 /nfs/dbraw/zinc/27/95/89/1137279589.db2.gz YMPHKQLMMHHKGE-UHFFFAOYSA-N 2 1 345.512 3.841 20 0 EHADMP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171173533 1137282488 /nfs/dbraw/zinc/28/24/88/1137282488.db2.gz ZPMNZYWGSVHXRU-AWEZNQCLSA-N 2 1 336.266 3.606 20 0 EHADMP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171173533 1137282490 /nfs/dbraw/zinc/28/24/90/1137282490.db2.gz ZPMNZYWGSVHXRU-AWEZNQCLSA-N 2 1 336.266 3.606 20 0 EHADMP Cc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000865523803 1137291438 /nfs/dbraw/zinc/29/14/38/1137291438.db2.gz FPTAZOQCDCOAOL-IBGZPJMESA-N 2 1 344.886 3.505 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000865758896 1137309017 /nfs/dbraw/zinc/30/90/17/1137309017.db2.gz FCFNDEKDBZKJOP-BRKWEVRTSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000865758896 1137309018 /nfs/dbraw/zinc/30/90/18/1137309018.db2.gz FCFNDEKDBZKJOP-BRKWEVRTSA-N 2 1 342.527 3.834 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866248457 1137339178 /nfs/dbraw/zinc/33/91/78/1137339178.db2.gz OXQCFPAHWKSPOP-ZWKOTPCHSA-N 2 1 325.500 3.877 20 0 EHADMP Fc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cnc1Cl ZINC000846833427 1137367761 /nfs/dbraw/zinc/36/77/61/1137367761.db2.gz ABCXWMUPUFPROD-UHFFFAOYSA-N 2 1 339.886 3.962 20 0 EHADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702317 1137374702 /nfs/dbraw/zinc/37/47/02/1137374702.db2.gz ALJSSZGYHIJZIF-MGPUTAFESA-N 2 1 342.487 3.803 20 0 EHADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702317 1137374704 /nfs/dbraw/zinc/37/47/04/1137374704.db2.gz ALJSSZGYHIJZIF-MGPUTAFESA-N 2 1 342.487 3.803 20 0 EHADMP COc1cccc(-c2nc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)co2)c1 ZINC000866710610 1137375011 /nfs/dbraw/zinc/37/50/11/1137375011.db2.gz ZVURDKFSUDZOID-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP COc1cccc(-c2nc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)co2)c1 ZINC000866710610 1137375012 /nfs/dbraw/zinc/37/50/12/1137375012.db2.gz ZVURDKFSUDZOID-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP c1cc2c(cccc2CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)s1 ZINC001171377734 1137463071 /nfs/dbraw/zinc/46/30/71/1137463071.db2.gz PLSXNKACJIQNSK-UHFFFAOYSA-N 2 1 334.448 3.848 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171547763 1137497216 /nfs/dbraw/zinc/49/72/16/1137497216.db2.gz SOTNNJVKZIJENX-CQSZACIVSA-N 2 1 328.422 3.625 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1(C)C ZINC001171641895 1137504735 /nfs/dbraw/zinc/50/47/35/1137504735.db2.gz VCGJTEIUBIQLAH-KRWDZBQOSA-N 2 1 328.500 3.843 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1(C)C ZINC001171641895 1137504737 /nfs/dbraw/zinc/50/47/37/1137504737.db2.gz VCGJTEIUBIQLAH-KRWDZBQOSA-N 2 1 328.500 3.843 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637881 1137504844 /nfs/dbraw/zinc/50/48/44/1137504844.db2.gz QTNRLBPOHVZUMV-GOSISDBHSA-N 2 1 331.504 3.576 20 0 EHADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001171644573 1137505007 /nfs/dbraw/zinc/50/50/07/1137505007.db2.gz FOGIBORYRQVUIR-HOTGVXAUSA-N 2 1 338.536 3.549 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)CC1(C)C ZINC001171643040 1137505033 /nfs/dbraw/zinc/50/50/33/1137505033.db2.gz QGMLOMCSZQWGAR-HXUWFJFHSA-N 2 1 341.543 3.553 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171739586 1137511047 /nfs/dbraw/zinc/51/10/47/1137511047.db2.gz QFXLGJQVXWPFKY-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739586 1137511049 /nfs/dbraw/zinc/51/10/49/1137511049.db2.gz QFXLGJQVXWPFKY-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739586 1137511050 /nfs/dbraw/zinc/51/10/50/1137511050.db2.gz QFXLGJQVXWPFKY-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171963726 1137519818 /nfs/dbraw/zinc/51/98/18/1137519818.db2.gz FCAVAZDRNVEYOQ-NRFANRHFSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171966668 1137520868 /nfs/dbraw/zinc/52/08/68/1137520868.db2.gz WAVAXSPOOZYDML-RTWAWAEBSA-N 2 1 349.522 3.820 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC(c3cccnc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988945 1137522504 /nfs/dbraw/zinc/52/25/04/1137522504.db2.gz XTOKHSKWOBKECL-NRFANRHFSA-N 2 1 335.495 3.924 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC(c3cccnc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988945 1137522506 /nfs/dbraw/zinc/52/25/06/1137522506.db2.gz XTOKHSKWOBKECL-NRFANRHFSA-N 2 1 335.495 3.924 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989204 1137522569 /nfs/dbraw/zinc/52/25/69/1137522569.db2.gz ZYNUTSDBVSMNBF-RTBURBONSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989204 1137522570 /nfs/dbraw/zinc/52/25/70/1137522570.db2.gz ZYNUTSDBVSMNBF-RTBURBONSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989204 1137522571 /nfs/dbraw/zinc/52/25/71/1137522571.db2.gz ZYNUTSDBVSMNBF-RTBURBONSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989204 1137522573 /nfs/dbraw/zinc/52/25/73/1137522573.db2.gz ZYNUTSDBVSMNBF-RTBURBONSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171990755 1137522835 /nfs/dbraw/zinc/52/28/35/1137522835.db2.gz OEIJJRBDFCTEGO-PZJWPPBQSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171990755 1137522837 /nfs/dbraw/zinc/52/28/37/1137522837.db2.gz OEIJJRBDFCTEGO-PZJWPPBQSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171990755 1137522839 /nfs/dbraw/zinc/52/28/39/1137522839.db2.gz OEIJJRBDFCTEGO-PZJWPPBQSA-N 2 1 343.559 3.844 20 0 EHADMP COC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171972068 1137524252 /nfs/dbraw/zinc/52/42/52/1137524252.db2.gz NFTJMUSECUBWQG-GPJFCIFZSA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975575 1137524478 /nfs/dbraw/zinc/52/44/78/1137524478.db2.gz MDKKDVLLELWYCI-GOSISDBHSA-N 2 1 327.447 3.754 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(F)nc2)CC[N@H+]1Cc1ccccc1 ZINC001171975575 1137524481 /nfs/dbraw/zinc/52/44/81/1137524481.db2.gz MDKKDVLLELWYCI-GOSISDBHSA-N 2 1 327.447 3.754 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977296 1137525514 /nfs/dbraw/zinc/52/55/14/1137525514.db2.gz PVYLHMIOVDWXNW-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977296 1137525516 /nfs/dbraw/zinc/52/55/16/1137525516.db2.gz PVYLHMIOVDWXNW-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984364 1137527448 /nfs/dbraw/zinc/52/74/48/1137527448.db2.gz KOFLUAFIZNLTGZ-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984364 1137527450 /nfs/dbraw/zinc/52/74/50/1137527450.db2.gz KOFLUAFIZNLTGZ-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984364 1137527452 /nfs/dbraw/zinc/52/74/52/1137527452.db2.gz KOFLUAFIZNLTGZ-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@@H]2CC24CCOCC4)C3)cc1 ZINC001172073451 1137529685 /nfs/dbraw/zinc/52/96/85/1137529685.db2.gz RLLHOKHHXQFCQF-MXEMCNAFSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2CC24CCOCC4)C3)cc1 ZINC001172073452 1137529833 /nfs/dbraw/zinc/52/98/33/1137529833.db2.gz RLLHOKHHXQFCQF-PLACYPQZSA-N 2 1 340.511 3.731 20 0 EHADMP CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001172072078 1137529888 /nfs/dbraw/zinc/52/98/88/1137529888.db2.gz KJMRQPPLGNZITB-WKCHPHFGSA-N 2 1 342.527 3.978 20 0 EHADMP C[N@H+]1CCC[C@@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172071763 1137530014 /nfs/dbraw/zinc/53/00/14/1137530014.db2.gz YRNWYMYQPCMZDW-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071763 1137530015 /nfs/dbraw/zinc/53/00/15/1137530015.db2.gz YRNWYMYQPCMZDW-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071763 1137530017 /nfs/dbraw/zinc/53/00/17/1137530017.db2.gz YRNWYMYQPCMZDW-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071763 1137530019 /nfs/dbraw/zinc/53/00/19/1137530019.db2.gz YRNWYMYQPCMZDW-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071763 1137530021 /nfs/dbraw/zinc/53/00/21/1137530021.db2.gz YRNWYMYQPCMZDW-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CN(CC[NH+]1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076894 1137530534 /nfs/dbraw/zinc/53/05/34/1137530534.db2.gz ASFQSUJTRUHNHK-ZBYYUNFXSA-N 2 1 341.543 3.600 20 0 EHADMP CC(C)[N@H+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075350 1137530566 /nfs/dbraw/zinc/53/05/66/1137530566.db2.gz PZFCSXAPIWVKSX-WKCHPHFGSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[N@@H+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075350 1137530567 /nfs/dbraw/zinc/53/05/67/1137530567.db2.gz PZFCSXAPIWVKSX-WKCHPHFGSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075350 1137530569 /nfs/dbraw/zinc/53/05/69/1137530569.db2.gz PZFCSXAPIWVKSX-WKCHPHFGSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075350 1137530571 /nfs/dbraw/zinc/53/05/71/1137530571.db2.gz PZFCSXAPIWVKSX-WKCHPHFGSA-N 2 1 330.516 3.665 20 0 EHADMP COC1CC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078926 1137531138 /nfs/dbraw/zinc/53/11/38/1137531138.db2.gz KFLSHNWHWRJQGU-MFRAEPQCSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083341 1137531505 /nfs/dbraw/zinc/53/15/05/1137531505.db2.gz PIUIDUFRZRLELF-CIAFKFPVSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083341 1137531506 /nfs/dbraw/zinc/53/15/06/1137531506.db2.gz PIUIDUFRZRLELF-CIAFKFPVSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083341 1137531507 /nfs/dbraw/zinc/53/15/07/1137531507.db2.gz PIUIDUFRZRLELF-CIAFKFPVSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083341 1137531508 /nfs/dbraw/zinc/53/15/08/1137531508.db2.gz PIUIDUFRZRLELF-CIAFKFPVSA-N 2 1 342.527 3.929 20 0 EHADMP C[N@H+]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172066151 1137533514 /nfs/dbraw/zinc/53/35/14/1137533514.db2.gz UFHQZIIMAPVANS-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066151 1137533515 /nfs/dbraw/zinc/53/35/15/1137533515.db2.gz UFHQZIIMAPVANS-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066151 1137533516 /nfs/dbraw/zinc/53/35/16/1137533516.db2.gz UFHQZIIMAPVANS-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](NCC[NH+]2CCCCC2)C3)cc1 ZINC001172067384 1137533734 /nfs/dbraw/zinc/53/37/34/1137533734.db2.gz NAQNZNYAAWXVPM-KOUNCHBCSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCN2CCCCC2)C3)cc1 ZINC001172067384 1137533736 /nfs/dbraw/zinc/53/37/36/1137533736.db2.gz NAQNZNYAAWXVPM-KOUNCHBCSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCN2CCCCC2)C3)cc1 ZINC001172067384 1137533738 /nfs/dbraw/zinc/53/37/38/1137533738.db2.gz NAQNZNYAAWXVPM-KOUNCHBCSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068797 1137533936 /nfs/dbraw/zinc/53/39/36/1137533936.db2.gz KXAWNFPGNPEZMZ-OQEHDIDLSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068797 1137533939 /nfs/dbraw/zinc/53/39/39/1137533939.db2.gz KXAWNFPGNPEZMZ-OQEHDIDLSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068797 1137533941 /nfs/dbraw/zinc/53/39/41/1137533941.db2.gz KXAWNFPGNPEZMZ-OQEHDIDLSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172068797 1137533943 /nfs/dbraw/zinc/53/39/43/1137533943.db2.gz KXAWNFPGNPEZMZ-OQEHDIDLSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069582 1137534190 /nfs/dbraw/zinc/53/41/90/1137534190.db2.gz RJKBNHLEPDHDQV-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069582 1137534192 /nfs/dbraw/zinc/53/41/92/1137534192.db2.gz RJKBNHLEPDHDQV-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069582 1137534193 /nfs/dbraw/zinc/53/41/93/1137534193.db2.gz RJKBNHLEPDHDQV-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@]4(CCCO4)C2)C3)cc1 ZINC001172069582 1137534195 /nfs/dbraw/zinc/53/41/95/1137534195.db2.gz RJKBNHLEPDHDQV-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP C[C@]1(O)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069558 1137534352 /nfs/dbraw/zinc/53/43/52/1137534352.db2.gz RBRRCVOJHNBYLB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069558 1137534353 /nfs/dbraw/zinc/53/43/53/1137534353.db2.gz RBRRCVOJHNBYLB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069558 1137534355 /nfs/dbraw/zinc/53/43/55/1137534355.db2.gz RBRRCVOJHNBYLB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069558 1137534356 /nfs/dbraw/zinc/53/43/56/1137534356.db2.gz RBRRCVOJHNBYLB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070099 1137534819 /nfs/dbraw/zinc/53/48/19/1137534819.db2.gz WZBUOEJEDYRFJY-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070099 1137534820 /nfs/dbraw/zinc/53/48/20/1137534820.db2.gz WZBUOEJEDYRFJY-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070099 1137534821 /nfs/dbraw/zinc/53/48/21/1137534821.db2.gz WZBUOEJEDYRFJY-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070099 1137534822 /nfs/dbraw/zinc/53/48/22/1137534822.db2.gz WZBUOEJEDYRFJY-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(COc3ccc(F)cc3)CC1)C2 ZINC001172129435 1137535614 /nfs/dbraw/zinc/53/56/14/1137535614.db2.gz ZRZIORXEFZAUAC-ACDBMABISA-N 2 1 346.490 3.932 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(COc3ccc(F)cc3)CC1)C2 ZINC001172129435 1137535615 /nfs/dbraw/zinc/53/56/15/1137535615.db2.gz ZRZIORXEFZAUAC-ACDBMABISA-N 2 1 346.490 3.932 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172128365 1137535745 /nfs/dbraw/zinc/53/57/45/1137535745.db2.gz RJILXCWRALDBSF-FFGOWVMKSA-N 2 1 338.499 3.922 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172128365 1137535746 /nfs/dbraw/zinc/53/57/46/1137535746.db2.gz RJILXCWRALDBSF-FFGOWVMKSA-N 2 1 338.499 3.922 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001172101740 1137536058 /nfs/dbraw/zinc/53/60/58/1137536058.db2.gz ANRKIDBKUGZAOQ-QDMKHBRRSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001172101740 1137536060 /nfs/dbraw/zinc/53/60/60/1137536060.db2.gz ANRKIDBKUGZAOQ-QDMKHBRRSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC001172102321 1137536715 /nfs/dbraw/zinc/53/67/15/1137536715.db2.gz LYVJJPNVAQFPEV-ZSOGYDGISA-N 2 1 330.369 3.949 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110983 1137537757 /nfs/dbraw/zinc/53/77/57/1137537757.db2.gz NGYUNHYTPDXLPR-REPLKXPHSA-N 2 1 348.918 3.951 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110983 1137537759 /nfs/dbraw/zinc/53/77/59/1137537759.db2.gz NGYUNHYTPDXLPR-REPLKXPHSA-N 2 1 348.918 3.951 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001172115415 1137538038 /nfs/dbraw/zinc/53/80/38/1137538038.db2.gz XDEUBRVJXWTVNY-RTCCRHLQSA-N 2 1 332.332 3.722 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120545 1137538134 /nfs/dbraw/zinc/53/81/34/1137538134.db2.gz GBXQFLXCUSZTEX-NMLBUPMWSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120545 1137538135 /nfs/dbraw/zinc/53/81/35/1137538135.db2.gz GBXQFLXCUSZTEX-NMLBUPMWSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120545 1137538136 /nfs/dbraw/zinc/53/81/36/1137538136.db2.gz GBXQFLXCUSZTEX-NMLBUPMWSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120545 1137538137 /nfs/dbraw/zinc/53/81/37/1137538137.db2.gz GBXQFLXCUSZTEX-NMLBUPMWSA-N 2 1 328.500 3.854 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001172113903 1137538313 /nfs/dbraw/zinc/53/83/13/1137538313.db2.gz KNGNNEPLYSZWAY-OKYOBFRVSA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001172113903 1137538315 /nfs/dbraw/zinc/53/83/15/1137538315.db2.gz KNGNNEPLYSZWAY-OKYOBFRVSA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115848 1137538344 /nfs/dbraw/zinc/53/83/44/1137538344.db2.gz VNJVPCFUSRMAKD-KOUNCHBCSA-N 3 1 347.591 3.884 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115848 1137538345 /nfs/dbraw/zinc/53/83/45/1137538345.db2.gz VNJVPCFUSRMAKD-KOUNCHBCSA-N 2 1 347.591 3.884 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)C2 ZINC001172119220 1137538479 /nfs/dbraw/zinc/53/84/79/1137538479.db2.gz WFPMZTHPFWLAQX-ACDBMABISA-N 2 1 327.516 3.782 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2F)CC1 ZINC001172249254 1137544636 /nfs/dbraw/zinc/54/46/36/1137544636.db2.gz ZXCCVJVTNHDZGR-HXUWFJFHSA-N 2 1 334.479 3.757 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001172327379 1137546364 /nfs/dbraw/zinc/54/63/64/1137546364.db2.gz DXPSQUHHIPBDFV-IAGOWNOFSA-N 2 1 334.504 3.539 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001172329193 1137550852 /nfs/dbraw/zinc/55/08/52/1137550852.db2.gz GEKXBKDREPDLPJ-WNRNVDISSA-N 2 1 336.545 3.705 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172332999 1137551249 /nfs/dbraw/zinc/55/12/49/1137551249.db2.gz IUWMBSLVSCSYDC-JPLJXNOCSA-N 2 1 333.520 3.747 20 0 EHADMP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000872069105 1137569447 /nfs/dbraw/zinc/56/94/47/1137569447.db2.gz MRGJTBKQQQUDEQ-KBWCOIMZSA-N 2 1 348.506 3.768 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C[C@@H]4CCC[C@@H]4O2)C3)cc1 ZINC000872109799 1137571729 /nfs/dbraw/zinc/57/17/29/1137571729.db2.gz RSFCXOLXFMGRPA-GVUKCBQMSA-N 2 1 340.511 3.729 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000873223912 1137594283 /nfs/dbraw/zinc/59/42/83/1137594283.db2.gz UKNBARKNWMZXLU-IBGZPJMESA-N 2 1 348.441 3.552 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000873223912 1137594284 /nfs/dbraw/zinc/59/42/84/1137594284.db2.gz UKNBARKNWMZXLU-IBGZPJMESA-N 2 1 348.441 3.552 20 0 EHADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231955 1137594601 /nfs/dbraw/zinc/59/46/01/1137594601.db2.gz HHTBVCMKOXGEOM-YLJYHZDGSA-N 2 1 343.515 3.765 20 0 EHADMP CC1CC[NH+](c2ccc(NC3CC[NH+](CC(C)(C)O)CC3)cc2)CC1 ZINC000876839315 1137663373 /nfs/dbraw/zinc/66/33/73/1137663373.db2.gz TUSMTHAQRQCPTP-UHFFFAOYSA-N 2 1 345.531 3.570 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000877115307 1137670423 /nfs/dbraw/zinc/67/04/23/1137670423.db2.gz LZPYSAHUPLWKAA-JLHGSKIFSA-N 2 1 332.469 3.667 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119863 1137670655 /nfs/dbraw/zinc/67/06/55/1137670655.db2.gz BSPYYARBUWVNIU-NVXWUHKLSA-N 2 1 344.890 3.520 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3COC4(CCC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000877628679 1137683687 /nfs/dbraw/zinc/68/36/87/1137683687.db2.gz LTOZQBOQSGSJDQ-NSHGMRRFSA-N 2 1 326.484 3.656 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3COC4(CCC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000877628679 1137683688 /nfs/dbraw/zinc/68/36/88/1137683688.db2.gz LTOZQBOQSGSJDQ-NSHGMRRFSA-N 2 1 326.484 3.656 20 0 EHADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000877794115 1137689810 /nfs/dbraw/zinc/68/98/10/1137689810.db2.gz HAPVHPGRFDPSAO-UHFFFAOYSA-N 2 1 344.528 3.774 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878157118 1137704987 /nfs/dbraw/zinc/70/49/87/1137704987.db2.gz VSKMEEHXPCZXJB-KSEOMHKRSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878157118 1137704988 /nfs/dbraw/zinc/70/49/88/1137704988.db2.gz VSKMEEHXPCZXJB-KSEOMHKRSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878157118 1137704989 /nfs/dbraw/zinc/70/49/89/1137704989.db2.gz VSKMEEHXPCZXJB-KSEOMHKRSA-N 2 1 342.527 3.961 20 0 EHADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878288323 1137709961 /nfs/dbraw/zinc/70/99/61/1137709961.db2.gz VMVJXVDFSGJLAN-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878288323 1137709963 /nfs/dbraw/zinc/70/99/63/1137709963.db2.gz VMVJXVDFSGJLAN-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC2(CCC2)O1 ZINC000878338098 1137711409 /nfs/dbraw/zinc/71/14/09/1137711409.db2.gz WHCSSTVHDWYYEK-FQEVSTJZSA-N 2 1 343.515 3.722 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)C2)CC1 ZINC000878549791 1137719897 /nfs/dbraw/zinc/71/98/97/1137719897.db2.gz PIYNAXKSCCXKBV-VQTJNVASSA-N 2 1 328.500 3.715 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2sccc2Br)CC1(C)C ZINC000883283253 1137852380 /nfs/dbraw/zinc/85/23/80/1137852380.db2.gz XPBOUPNXBFAYJF-LLVKDONJSA-N 2 1 331.323 3.516 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883321314 1137854764 /nfs/dbraw/zinc/85/47/64/1137854764.db2.gz YXFOYCXGGQANPT-YQQAZPJKSA-N 2 1 335.289 3.653 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCC[C@]34CCCO4)CC23CC3)cc1 ZINC000883368783 1137857771 /nfs/dbraw/zinc/85/77/71/1137857771.db2.gz AWQJUIHQJIWGLI-SJBKTWHCSA-N 2 1 340.511 3.875 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCC[C@]34CCCO4)CC23CC3)cc1 ZINC000883368783 1137857772 /nfs/dbraw/zinc/85/77/72/1137857772.db2.gz AWQJUIHQJIWGLI-SJBKTWHCSA-N 2 1 340.511 3.875 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424561 1137860396 /nfs/dbraw/zinc/86/03/96/1137860396.db2.gz WRMHWWVWUCFRPA-CGXNFDGLSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)O2)cc1 ZINC000883435275 1137860458 /nfs/dbraw/zinc/86/04/58/1137860458.db2.gz NTEGUYDEKHZYBQ-NJYVYQBISA-N 2 1 328.500 3.618 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3cc(CC)ccc23)CC1 ZINC000109786421 1137897475 /nfs/dbraw/zinc/89/74/75/1137897475.db2.gz IXRVDVUYQDTTHJ-UHFFFAOYSA-N 2 1 342.483 3.662 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3cc(CC)ccc23)CC1 ZINC000109786421 1137897476 /nfs/dbraw/zinc/89/74/76/1137897476.db2.gz IXRVDVUYQDTTHJ-UHFFFAOYSA-N 2 1 342.483 3.662 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000331713878 1137917980 /nfs/dbraw/zinc/91/79/80/1137917980.db2.gz MJBGEOGELDMDEM-YJBOKZPZSA-N 2 1 329.488 3.636 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)CC[N@H+]1C ZINC000120217270 1137947485 /nfs/dbraw/zinc/94/74/85/1137947485.db2.gz UXTVNHZCRRIUNW-BBRMVZONSA-N 2 1 337.305 3.553 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000885923415 1138024660 /nfs/dbraw/zinc/02/46/60/1138024660.db2.gz ZMWDCIHWRJXFFB-HNNXBMFYSA-N 2 1 326.488 3.691 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000885924926 1138025172 /nfs/dbraw/zinc/02/51/72/1138025172.db2.gz ZMKAMDNANOEWLK-IYBDPMFKSA-N 2 1 340.515 3.794 20 0 EHADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000886515524 1138087982 /nfs/dbraw/zinc/08/79/82/1138087982.db2.gz KTERDPKZEVKZNH-HXUWFJFHSA-N 2 1 328.504 3.747 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000886528608 1138090952 /nfs/dbraw/zinc/09/09/52/1138090952.db2.gz OSQUGTBMLPXPHG-UWJYYQICSA-N 2 1 340.515 3.932 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886587899 1138100022 /nfs/dbraw/zinc/10/00/22/1138100022.db2.gz IALSKOJWVRFCGC-DKBNTXJOSA-N 2 1 342.527 3.834 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)[C@H](C)C1 ZINC000090716048 1138213084 /nfs/dbraw/zinc/21/30/84/1138213084.db2.gz FRTQAYILTMADHP-RHSMWYFYSA-N 2 1 344.421 3.585 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)c1 ZINC000091333126 1138218507 /nfs/dbraw/zinc/21/85/07/1138218507.db2.gz FFWUFTXMSXOQIA-INIZCTEOSA-N 2 1 336.483 3.876 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CSC(F)F)o2)[C@H](C)C1 ZINC000093639512 1138239265 /nfs/dbraw/zinc/23/92/65/1138239265.db2.gz DTRFZCLSTMUWNN-IUODEOHRSA-N 2 1 332.460 3.898 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093693293 1138239637 /nfs/dbraw/zinc/23/96/37/1138239637.db2.gz ZTNXGKYEJMPCSI-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093693293 1138239638 /nfs/dbraw/zinc/23/96/38/1138239638.db2.gz ZTNXGKYEJMPCSI-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)c1 ZINC000093961900 1138243126 /nfs/dbraw/zinc/24/31/26/1138243126.db2.gz UOTMGEJKCFBROO-UHFFFAOYSA-N 2 1 342.531 3.848 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126695227 1138336223 /nfs/dbraw/zinc/33/62/23/1138336223.db2.gz CZCLQBASZRYKFP-QGZVFWFLSA-N 2 1 343.540 3.655 20 0 EHADMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000131213083 1138502276 /nfs/dbraw/zinc/50/22/76/1138502276.db2.gz LBDGWVVMKYXYPW-INIZCTEOSA-N 2 1 334.504 3.613 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000131582432 1138528114 /nfs/dbraw/zinc/52/81/14/1138528114.db2.gz QDKBMUDTGNWTJK-SFHVURJKSA-N 2 1 330.497 3.897 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000338008092 1138722318 /nfs/dbraw/zinc/72/23/18/1138722318.db2.gz AURJOUIDMYMGOG-IBGZPJMESA-N 2 1 342.393 3.634 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C(C)C ZINC000338212489 1138789512 /nfs/dbraw/zinc/78/95/12/1138789512.db2.gz YSHNDZJAXPLIGX-NRFANRHFSA-N 2 1 340.515 3.859 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338318622 1138831904 /nfs/dbraw/zinc/83/19/04/1138831904.db2.gz MDKIZSVEDXWSIW-HXUWFJFHSA-N 2 1 341.499 3.724 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338318622 1138831907 /nfs/dbraw/zinc/83/19/07/1138831907.db2.gz MDKIZSVEDXWSIW-HXUWFJFHSA-N 2 1 341.499 3.724 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1)C1CC1 ZINC000429572176 1139366547 /nfs/dbraw/zinc/36/65/47/1139366547.db2.gz TZZWIGKDWOQVAJ-HNNXBMFYSA-N 2 1 337.467 3.943 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000178696109 1139713348 /nfs/dbraw/zinc/71/33/48/1139713348.db2.gz KCPXBABUSVWXSP-CYBMUJFWSA-N 2 1 346.425 3.691 20 0 EHADMP C(=C/C[N@@H+](Cc1ccccn1)C1CC1)\C[NH+](Cc1ccccn1)C1CC1 ZINC000180864663 1139868427 /nfs/dbraw/zinc/86/84/27/1139868427.db2.gz FRUJVZSLRBIQKX-AATRIKPKSA-N 2 1 348.494 3.662 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000181951837 1139941678 /nfs/dbraw/zinc/94/16/78/1139941678.db2.gz BCUCJBAHLSGICY-IRXDYDNUSA-N 2 1 331.504 3.950 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182262211 1139961765 /nfs/dbraw/zinc/96/17/65/1139961765.db2.gz NLGVKBOGIFDJQI-VGSWGCGISA-N 2 1 338.495 3.666 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182262227 1139961872 /nfs/dbraw/zinc/96/18/72/1139961872.db2.gz NLGVKBOGIFDJQI-JTSKRJEESA-N 2 1 338.495 3.666 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(F)c3F)CC2)nc(C)[nH+]1 ZINC000183278329 1140026424 /nfs/dbraw/zinc/02/64/24/1140026424.db2.gz LGNRIGIITSGQMY-CYBMUJFWSA-N 2 1 346.425 3.691 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000185354032 1140146497 /nfs/dbraw/zinc/14/64/97/1140146497.db2.gz URTRNBROLPUQDM-QAPCUYQASA-N 2 1 340.458 3.851 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2s1 ZINC000187994366 1140279563 /nfs/dbraw/zinc/27/95/63/1140279563.db2.gz AOSCNODLUOIXRE-NVXWUHKLSA-N 2 1 332.513 3.789 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000188445930 1140296970 /nfs/dbraw/zinc/29/69/70/1140296970.db2.gz BAFOLVCPHJBEDW-LEWJYISDSA-N 2 1 342.458 3.633 20 0 EHADMP Cc1c([C@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144292 1140438951 /nfs/dbraw/zinc/43/89/51/1140438951.db2.gz LVFFYQQAMULIKJ-KRWDZBQOSA-N 2 1 340.515 3.871 20 0 EHADMP Cc1c([C@H](C)NCCC[N@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144292 1140438952 /nfs/dbraw/zinc/43/89/52/1140438952.db2.gz LVFFYQQAMULIKJ-KRWDZBQOSA-N 2 1 340.515 3.871 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144292 1140438953 /nfs/dbraw/zinc/43/89/53/1140438953.db2.gz LVFFYQQAMULIKJ-KRWDZBQOSA-N 2 1 340.515 3.871 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144292 1140438955 /nfs/dbraw/zinc/43/89/55/1140438955.db2.gz LVFFYQQAMULIKJ-KRWDZBQOSA-N 2 1 340.515 3.871 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000194070783 1140596314 /nfs/dbraw/zinc/59/63/14/1140596314.db2.gz PRVXTTINIIMTKY-AYZHRIAMSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000194070783 1140596318 /nfs/dbraw/zinc/59/63/18/1140596318.db2.gz PRVXTTINIIMTKY-AYZHRIAMSA-N 2 1 340.511 3.587 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268756423 1140984590 /nfs/dbraw/zinc/98/45/90/1140984590.db2.gz JROUWRNSKBGBQJ-MAUKXSAKSA-N 2 1 329.513 3.637 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268756423 1140984595 /nfs/dbraw/zinc/98/45/95/1140984595.db2.gz JROUWRNSKBGBQJ-MAUKXSAKSA-N 2 1 329.513 3.637 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268782228 1140990056 /nfs/dbraw/zinc/99/00/56/1140990056.db2.gz YLIFSPLZIMNELL-CYBMUJFWSA-N 2 1 326.406 3.853 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269005541 1141044470 /nfs/dbraw/zinc/04/44/70/1141044470.db2.gz VXUPEUGDMFOXNU-SESVDKBCSA-N 2 1 332.532 3.531 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000269271582 1141087459 /nfs/dbraw/zinc/08/74/59/1141087459.db2.gz GQIPHZMNSBSBAP-IBGZPJMESA-N 2 1 325.456 3.574 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271523689 1141388150 /nfs/dbraw/zinc/38/81/50/1141388150.db2.gz VHXRIWVPKILSKF-INMHGKMJSA-N 2 1 344.421 3.597 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271523689 1141388158 /nfs/dbraw/zinc/38/81/58/1141388158.db2.gz VHXRIWVPKILSKF-INMHGKMJSA-N 2 1 344.421 3.597 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OCC(C)C ZINC000271605581 1141405401 /nfs/dbraw/zinc/40/54/01/1141405401.db2.gz ABILSPKPGHKHCM-MRXNPFEDSA-N 2 1 345.487 3.976 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000273910406 1141445150 /nfs/dbraw/zinc/44/51/50/1141445150.db2.gz CNEQDMVLSXZSAU-HMXCVIKNSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000273910406 1141445155 /nfs/dbraw/zinc/44/51/55/1141445155.db2.gz CNEQDMVLSXZSAU-HMXCVIKNSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](CO)C2)cc1 ZINC000348710260 1141569455 /nfs/dbraw/zinc/56/94/55/1141569455.db2.gz ZEVVIVWGOSRISH-SZMVWBNQSA-N 2 1 327.472 3.630 20 0 EHADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283352690 1141606009 /nfs/dbraw/zinc/60/60/09/1141606009.db2.gz MMRVZUVBEAKRNY-JBACZVJFSA-N 2 1 342.527 3.803 20 0 EHADMP CC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000348963887 1141616837 /nfs/dbraw/zinc/61/68/37/1141616837.db2.gz JUTGQRYVTKHOIY-UHFFFAOYSA-N 2 1 336.483 3.726 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)s1 ZINC000038003338 213187879 /nfs/dbraw/zinc/18/78/79/213187879.db2.gz VKQAHECPCQJJTM-GHMZBOCLSA-N 2 1 329.307 3.646 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000234347808 521976631 /nfs/dbraw/zinc/97/66/31/521976631.db2.gz HGMZCFARGAHWQF-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP CC(C)c1cnc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474227 1032071812 /nfs/dbraw/zinc/07/18/12/1032071812.db2.gz KOTLQOMODGYAGE-HNAYVOBHSA-N 2 1 343.496 3.612 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661983 1032078494 /nfs/dbraw/zinc/07/84/94/1032078494.db2.gz JPRKLECMGKYSPV-UKRRQHHQSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661983 1032078475 /nfs/dbraw/zinc/07/84/75/1032078475.db2.gz JPRKLECMGKYSPV-UKRRQHHQSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661983 1032078515 /nfs/dbraw/zinc/07/85/15/1032078515.db2.gz JPRKLECMGKYSPV-UKRRQHHQSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661983 1032078532 /nfs/dbraw/zinc/07/85/32/1032078532.db2.gz JPRKLECMGKYSPV-UKRRQHHQSA-N 2 1 330.394 3.890 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1)c1ccccc1 ZINC000153831884 1014137623 /nfs/dbraw/zinc/13/76/23/1014137623.db2.gz HJLNCUMHGNPVBY-WSTZPKSXSA-N 2 1 329.532 3.722 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccs1 ZINC000182264841 1032084633 /nfs/dbraw/zinc/08/46/33/1032084633.db2.gz BHMMVJQSMYQGTA-ROUUACIJSA-N 2 1 330.497 3.556 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000430140578 1014169592 /nfs/dbraw/zinc/16/95/92/1014169592.db2.gz OWBBYSRUURHFAY-SLFFLAALSA-N 2 1 330.516 3.692 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC000537998116 1032090211 /nfs/dbraw/zinc/09/02/11/1032090211.db2.gz NHYHBGRGFFVGMS-INIZCTEOSA-N 2 1 336.524 3.773 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)n1 ZINC000537998116 1032090227 /nfs/dbraw/zinc/09/02/27/1032090227.db2.gz NHYHBGRGFFVGMS-INIZCTEOSA-N 2 1 336.524 3.773 20 0 EHADMP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000339390837 1014325008 /nfs/dbraw/zinc/32/50/08/1014325008.db2.gz GSXNRCGVWAUFQL-RDJZCZTQSA-N 2 1 346.450 3.634 20 0 EHADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000643547036 1014485332 /nfs/dbraw/zinc/48/53/32/1014485332.db2.gz YTDVQAFZGPUABW-CVEARBPZSA-N 2 1 342.405 3.657 20 0 EHADMP C[N@H+](Cc1cnc(-c2ccccc2F)s1)CC1CC[NH+](C)CC1 ZINC000449023836 1032097446 /nfs/dbraw/zinc/09/74/46/1032097446.db2.gz VHWZMVMMZIQPCF-UHFFFAOYSA-N 2 1 333.476 3.723 20 0 EHADMP C[N@H+](Cc1nc(C2CC2)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000343730422 1032105662 /nfs/dbraw/zinc/10/56/62/1032105662.db2.gz OJXSBOKPULZTKQ-UHFFFAOYSA-N 2 1 342.512 3.764 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)c1O ZINC000459424854 1032106236 /nfs/dbraw/zinc/10/62/36/1032106236.db2.gz JXIACWIJHUGDIB-CQSZACIVSA-N 2 1 340.895 3.654 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(Cl)c1O ZINC000459424854 1032106241 /nfs/dbraw/zinc/10/62/41/1032106241.db2.gz JXIACWIJHUGDIB-CQSZACIVSA-N 2 1 340.895 3.654 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449065232 1032108973 /nfs/dbraw/zinc/10/89/73/1032108973.db2.gz SQRDWENKXLUDPK-OAHLLOKOSA-N 2 1 341.268 3.649 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001208920334 1015596794 /nfs/dbraw/zinc/59/67/94/1015596794.db2.gz FYMSFDQFMDJMTO-VQTJNVASSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001208920334 1015596803 /nfs/dbraw/zinc/59/68/03/1015596803.db2.gz FYMSFDQFMDJMTO-VQTJNVASSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001208920334 1015596811 /nfs/dbraw/zinc/59/68/11/1015596811.db2.gz FYMSFDQFMDJMTO-VQTJNVASSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274954673 1015676283 /nfs/dbraw/zinc/67/62/83/1015676283.db2.gz VSKVOJFHCXJCFF-YRNRMSPPSA-N 2 1 341.499 3.723 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2cccnc2Oc2cccc(F)c2)[C@H](C)C1 ZINC000154685440 1015764892 /nfs/dbraw/zinc/76/48/92/1015764892.db2.gz HUGRFMZVMXTRDW-DNVCBOLYSA-N 2 1 343.446 3.833 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459438185 1032144852 /nfs/dbraw/zinc/14/48/52/1032144852.db2.gz SYCFRKANHYGKIX-AWEZNQCLSA-N 2 1 333.439 3.699 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000377559448 1016460424 /nfs/dbraw/zinc/46/04/24/1016460424.db2.gz CZNLJIZPLILBHU-QFUCXCTJSA-N 2 1 336.479 3.663 20 0 EHADMP COCC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000361317683 1016499264 /nfs/dbraw/zinc/49/92/64/1016499264.db2.gz BLLBQVINIFRPMW-LEWJYISDSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317683 1016499271 /nfs/dbraw/zinc/49/92/71/1016499271.db2.gz BLLBQVINIFRPMW-LEWJYISDSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317683 1016499274 /nfs/dbraw/zinc/49/92/74/1016499274.db2.gz BLLBQVINIFRPMW-LEWJYISDSA-N 2 1 342.527 3.790 20 0 EHADMP CC(C)COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000236678343 1016701438 /nfs/dbraw/zinc/70/14/38/1016701438.db2.gz IRVYHUWZXFFANQ-KDURUIRLSA-N 2 1 348.531 3.700 20 0 EHADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)ccc2c1 ZINC000275516969 1016953630 /nfs/dbraw/zinc/95/36/30/1016953630.db2.gz KSWOZIKKDXXMEQ-HZPDHXFCSA-N 2 1 335.451 3.958 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449075038 1032161717 /nfs/dbraw/zinc/16/17/17/1032161717.db2.gz MDZOITPOZSOPTM-QGZVFWFLSA-N 2 1 341.524 3.502 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449075038 1032161722 /nfs/dbraw/zinc/16/17/22/1032161722.db2.gz MDZOITPOZSOPTM-QGZVFWFLSA-N 2 1 341.524 3.502 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449078961 1032169947 /nfs/dbraw/zinc/16/99/47/1032169947.db2.gz NANGGNBTQGFWPN-UXHICEINSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379621875 1032181795 /nfs/dbraw/zinc/18/17/95/1032181795.db2.gz FZWJPVGNPHAEEJ-QRQLOZEOSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379621875 1032181804 /nfs/dbraw/zinc/18/18/04/1032181804.db2.gz FZWJPVGNPHAEEJ-QRQLOZEOSA-N 2 1 330.516 3.975 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379631045 1032208366 /nfs/dbraw/zinc/20/83/66/1032208366.db2.gz QVMHOHDTCFGQHU-RXVVDRJESA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379631045 1032208380 /nfs/dbraw/zinc/20/83/80/1032208380.db2.gz QVMHOHDTCFGQHU-RXVVDRJESA-N 2 1 338.495 3.880 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634031 1032208797 /nfs/dbraw/zinc/20/87/97/1032208797.db2.gz PCXXSSCCFFGKEG-LVCYWYKZSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634031 1032208807 /nfs/dbraw/zinc/20/88/07/1032208807.db2.gz PCXXSSCCFFGKEG-LVCYWYKZSA-N 2 1 338.495 3.966 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449136644 1032231720 /nfs/dbraw/zinc/23/17/20/1032231720.db2.gz BZXFZTZQRGMRFL-VQIMIIECSA-N 2 1 330.472 3.659 20 0 EHADMP Fc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000191523147 1032232778 /nfs/dbraw/zinc/23/27/78/1032232778.db2.gz NBRLLRXSSBKCHH-UHFFFAOYSA-N 2 1 344.449 3.804 20 0 EHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1)CC1CC1 ZINC000536738442 1032236425 /nfs/dbraw/zinc/23/64/25/1032236425.db2.gz UGMGUZHKHVYZCE-MRXNPFEDSA-N 2 1 338.536 3.551 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1)CC1CC1 ZINC000536738442 1032236432 /nfs/dbraw/zinc/23/64/32/1032236432.db2.gz UGMGUZHKHVYZCE-MRXNPFEDSA-N 2 1 338.536 3.551 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncccc1Cl ZINC000528428908 1032261841 /nfs/dbraw/zinc/26/18/41/1032261841.db2.gz CQYBRXXQHMQKIK-UHFFFAOYSA-N 2 1 344.890 3.869 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449177966 1032275337 /nfs/dbraw/zinc/27/53/37/1032275337.db2.gz WTIYGJALCNZYMA-UONOGXRCSA-N 2 1 333.476 3.912 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304279 1032285318 /nfs/dbraw/zinc/28/53/18/1032285318.db2.gz FRHWGJNESUIITO-VQIMIIECSA-N 2 1 347.934 3.856 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304279 1032285322 /nfs/dbraw/zinc/28/53/22/1032285322.db2.gz FRHWGJNESUIITO-VQIMIIECSA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304279 1032285326 /nfs/dbraw/zinc/28/53/26/1032285326.db2.gz FRHWGJNESUIITO-VQIMIIECSA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304279 1032285328 /nfs/dbraw/zinc/28/53/28/1032285328.db2.gz FRHWGJNESUIITO-VQIMIIECSA-N 2 1 347.934 3.856 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000538306911 1032287136 /nfs/dbraw/zinc/28/71/36/1032287136.db2.gz GSDLABBRLAORNZ-UHFFFAOYSA-N 2 1 346.544 3.701 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632759 1032356687 /nfs/dbraw/zinc/35/66/87/1032356687.db2.gz OXCNJKSJMJYACX-MRXNPFEDSA-N 2 1 326.406 3.869 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632759 1032356701 /nfs/dbraw/zinc/35/67/01/1032356701.db2.gz OXCNJKSJMJYACX-MRXNPFEDSA-N 2 1 326.406 3.869 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632759 1032356710 /nfs/dbraw/zinc/35/67/10/1032356710.db2.gz OXCNJKSJMJYACX-MRXNPFEDSA-N 2 1 326.406 3.869 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632759 1032356722 /nfs/dbraw/zinc/35/67/22/1032356722.db2.gz OXCNJKSJMJYACX-MRXNPFEDSA-N 2 1 326.406 3.869 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000081632759 1032356730 /nfs/dbraw/zinc/35/67/30/1032356730.db2.gz OXCNJKSJMJYACX-MRXNPFEDSA-N 2 1 326.406 3.869 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000459730132 1032434825 /nfs/dbraw/zinc/43/48/25/1032434825.db2.gz JWMZBGREVVDFBK-LBPRGKRZSA-N 2 1 332.822 3.763 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797402 1032480909 /nfs/dbraw/zinc/48/09/09/1032480909.db2.gz WPTOYHBGLWWXHW-DOTOQJQBSA-N 2 1 340.458 3.931 20 0 EHADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449387809 1032512508 /nfs/dbraw/zinc/51/25/08/1032512508.db2.gz YFWIGLYDFPBRHV-OALUTQOASA-N 2 1 345.531 3.812 20 0 EHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000090113631 1032574442 /nfs/dbraw/zinc/57/44/42/1032574442.db2.gz RDSVVHQVOWBXGP-PKOBYXMFSA-N 2 1 348.556 3.541 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090586340 1032587764 /nfs/dbraw/zinc/58/77/64/1032587764.db2.gz USRGXGCTCVHSBZ-LJQANCHMSA-N 2 1 335.580 3.741 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090586340 1032587768 /nfs/dbraw/zinc/58/77/68/1032587768.db2.gz USRGXGCTCVHSBZ-LJQANCHMSA-N 3 1 335.580 3.741 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090586340 1032587769 /nfs/dbraw/zinc/58/77/69/1032587769.db2.gz USRGXGCTCVHSBZ-LJQANCHMSA-N 3 1 335.580 3.741 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449475848 1032596886 /nfs/dbraw/zinc/59/68/86/1032596886.db2.gz FVDISFSFKZVOHI-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000449475848 1032596894 /nfs/dbraw/zinc/59/68/94/1032596894.db2.gz FVDISFSFKZVOHI-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000537342317 1032643970 /nfs/dbraw/zinc/64/39/70/1032643970.db2.gz AFCBGIJHKDOGJH-RXVVDRJESA-N 2 1 344.499 3.956 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634680515 1017095939 /nfs/dbraw/zinc/09/59/39/1017095939.db2.gz UWMQAIRUAKEVOC-KVPLUYHFSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000237668181 1017119441 /nfs/dbraw/zinc/11/94/41/1017119441.db2.gz JNZZWDYIJDGSDF-OKILXGFUSA-N 2 1 345.314 3.972 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727006 1032689471 /nfs/dbraw/zinc/68/94/71/1032689471.db2.gz DEALVMPUAMTBFC-NRFANRHFSA-N 2 1 339.483 3.832 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727006 1032689478 /nfs/dbraw/zinc/68/94/78/1032689478.db2.gz DEALVMPUAMTBFC-NRFANRHFSA-N 2 1 339.483 3.832 20 0 EHADMP c1sc2ccccc2c1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655701188 1017410087 /nfs/dbraw/zinc/41/00/87/1017410087.db2.gz AYEABOKBPKLEJO-GOSISDBHSA-N 2 1 344.524 3.677 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000340408809 1017477030 /nfs/dbraw/zinc/47/70/30/1017477030.db2.gz RCOFSVPYJZVHSA-UHFFFAOYSA-N 2 1 336.483 3.845 20 0 EHADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCCC(C)C ZINC000415056086 1017478132 /nfs/dbraw/zinc/47/81/32/1017478132.db2.gz PPERLKDAFSHAJQ-OXQOHEQNSA-N 2 1 334.504 3.537 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415068464 1017498934 /nfs/dbraw/zinc/49/89/34/1017498934.db2.gz RBXRQHCYJFOMPO-GUYCJALGSA-N 2 1 326.431 3.716 20 0 EHADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415079656 1017521808 /nfs/dbraw/zinc/52/18/08/1017521808.db2.gz IFFGGXNSEVLTFY-DOTOQJQBSA-N 2 1 341.455 3.503 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1Cl ZINC000415086393 1017530816 /nfs/dbraw/zinc/53/08/16/1017530816.db2.gz ROBGZSDRYXVDQI-AEFFLSMTSA-N 2 1 330.859 3.932 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655764920 1017562422 /nfs/dbraw/zinc/56/24/22/1017562422.db2.gz VFSVSKFVUDNBCY-KPLVRAHFSA-N 2 1 342.527 3.756 20 0 EHADMP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415112982 1017567372 /nfs/dbraw/zinc/56/73/72/1017567372.db2.gz SBGFHZOIDVTWAD-VXKWHMMOSA-N 2 1 346.478 3.514 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415112752 1017568844 /nfs/dbraw/zinc/56/88/44/1017568844.db2.gz DMJZKOCEWACMFZ-AEFFLSMTSA-N 2 1 326.488 3.616 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C1 ZINC000415125065 1017587944 /nfs/dbraw/zinc/58/79/44/1017587944.db2.gz NPMNKFWHNWVEOO-NVXWUHKLSA-N 2 1 343.298 3.712 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000655779989 1017588769 /nfs/dbraw/zinc/58/87/69/1017588769.db2.gz DBKOAONGRNGOFM-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP COCCSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000892915764 1017717056 /nfs/dbraw/zinc/71/70/56/1017717056.db2.gz FWJPFJRBEITLIR-CCNLRDMRSA-N 2 1 334.529 3.701 20 0 EHADMP FC(F)(F)Oc1cccc(C2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000655845426 1017759058 /nfs/dbraw/zinc/75/90/58/1017759058.db2.gz FWNDEOLOUTVNNE-CABCVRRESA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000655845426 1017759064 /nfs/dbraw/zinc/75/90/64/1017759064.db2.gz FWNDEOLOUTVNNE-CABCVRRESA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000655845426 1017759073 /nfs/dbraw/zinc/75/90/73/1017759073.db2.gz FWNDEOLOUTVNNE-CABCVRRESA-N 2 1 340.389 3.791 20 0 EHADMP C[C@H]([NH2+]Cc1noc2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655854792 1017790215 /nfs/dbraw/zinc/79/02/15/1017790215.db2.gz ZEFZFWRXYHSVHC-HNNXBMFYSA-N 2 1 339.439 3.619 20 0 EHADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OCC ZINC000340437431 1017796030 /nfs/dbraw/zinc/79/60/30/1017796030.db2.gz XGFFVCHFYORRJF-UHFFFAOYSA-N 2 1 346.515 3.981 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000275644292 1017878054 /nfs/dbraw/zinc/87/80/54/1017878054.db2.gz TYZVFKUPIICXGB-CHWSQXEVSA-N 2 1 334.261 3.559 20 0 EHADMP C[C@H](CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)[NH+](C)C ZINC000340474361 1018001942 /nfs/dbraw/zinc/00/19/42/1018001942.db2.gz HVZQADZCYADROR-NQIIRXRSSA-N 2 1 349.538 3.919 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924616381 1018055804 /nfs/dbraw/zinc/05/58/04/1018055804.db2.gz CCWXQTQFXXFUSO-OAQYLSRUSA-N 2 1 325.500 3.555 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)c1 ZINC000340513788 1018198155 /nfs/dbraw/zinc/19/81/55/1018198155.db2.gz GUEIGCAIAMYVBJ-OWYHZJEWSA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)c1 ZINC000340513788 1018198160 /nfs/dbraw/zinc/19/81/60/1018198160.db2.gz GUEIGCAIAMYVBJ-OWYHZJEWSA-N 2 1 346.540 3.507 20 0 EHADMP COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccn1 ZINC000340522876 1018208000 /nfs/dbraw/zinc/20/80/00/1018208000.db2.gz ZVASCBRWKMVTDA-LSDHHAIUSA-N 2 1 336.439 3.996 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccn1 ZINC000340522873 1018208264 /nfs/dbraw/zinc/20/82/64/1018208264.db2.gz ZVASCBRWKMVTDA-GJZGRUSLSA-N 2 1 336.439 3.996 20 0 EHADMP CCCC[N@@H+](Cc1ncc(CN(C)C)s1)[C@@H]1CCCC[C@H]1OC ZINC000449537006 1032751852 /nfs/dbraw/zinc/75/18/52/1032751852.db2.gz FSZSQADBSRJHFG-IAGOWNOFSA-N 2 1 339.549 3.764 20 0 EHADMP CCCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCCC[C@H]1OC ZINC000449537006 1032751880 /nfs/dbraw/zinc/75/18/80/1032751880.db2.gz FSZSQADBSRJHFG-IAGOWNOFSA-N 2 1 339.549 3.764 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839843 1018457940 /nfs/dbraw/zinc/45/79/40/1018457940.db2.gz MYMQPCUYARMTGD-DOMZBBRYSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839843 1018457949 /nfs/dbraw/zinc/45/79/49/1018457949.db2.gz MYMQPCUYARMTGD-DOMZBBRYSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839843 1018457955 /nfs/dbraw/zinc/45/79/55/1018457955.db2.gz MYMQPCUYARMTGD-DOMZBBRYSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839843 1018457959 /nfs/dbraw/zinc/45/79/59/1018457959.db2.gz MYMQPCUYARMTGD-DOMZBBRYSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839843 1018457965 /nfs/dbraw/zinc/45/79/65/1018457965.db2.gz MYMQPCUYARMTGD-DOMZBBRYSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449550307 1032776085 /nfs/dbraw/zinc/77/60/85/1032776085.db2.gz COKVWSBGDKUDRT-HKBOAZHASA-N 2 1 344.543 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449550307 1032776098 /nfs/dbraw/zinc/77/60/98/1032776098.db2.gz COKVWSBGDKUDRT-HKBOAZHASA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449550307 1032776104 /nfs/dbraw/zinc/77/61/04/1032776104.db2.gz COKVWSBGDKUDRT-HKBOAZHASA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449550307 1032776118 /nfs/dbraw/zinc/77/61/18/1032776118.db2.gz COKVWSBGDKUDRT-HKBOAZHASA-N 2 1 344.543 3.628 20 0 EHADMP C[N@H+](Cc1cccc(Br)c1Cl)CC1CC[NH2+]CC1 ZINC000706474947 1018684660 /nfs/dbraw/zinc/68/46/60/1018684660.db2.gz RXTIXMHIBJJGOF-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576398350 1018929510 /nfs/dbraw/zinc/92/95/10/1018929510.db2.gz DNJKLCVPPVPIBV-OAQYLSRUSA-N 2 1 341.543 3.648 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCC(C)C ZINC000576436578 1018990944 /nfs/dbraw/zinc/99/09/44/1018990944.db2.gz XNFSWMCTVKCHHQ-OALUTQOASA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OCC(C)C ZINC000576436578 1018990954 /nfs/dbraw/zinc/99/09/54/1018990954.db2.gz XNFSWMCTVKCHHQ-OALUTQOASA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OCC(C)C ZINC000576436578 1018990964 /nfs/dbraw/zinc/99/09/64/1018990964.db2.gz XNFSWMCTVKCHHQ-OALUTQOASA-N 2 1 346.515 3.646 20 0 EHADMP c1ccc(OCc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000089511714 1019080417 /nfs/dbraw/zinc/08/04/17/1019080417.db2.gz VAKULUDAIWKTHW-LEWJYISDSA-N 2 1 336.479 3.982 20 0 EHADMP Cc1nc(C)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000683897792 1019143862 /nfs/dbraw/zinc/14/38/62/1019143862.db2.gz HMSTZLHIFTWTSU-UHFFFAOYSA-N 2 1 327.472 3.635 20 0 EHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561613 1032811090 /nfs/dbraw/zinc/81/10/90/1032811090.db2.gz WDFNGGUSVWILTA-HZTRTUMWSA-N 2 1 349.906 3.580 20 0 EHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167936861 1019231316 /nfs/dbraw/zinc/23/13/16/1019231316.db2.gz OWQNLSUXPFJDDG-BWTSREIZSA-N 2 1 325.500 3.557 20 0 EHADMP C[C@H]1C[C@H](NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513225149 1019440354 /nfs/dbraw/zinc/44/03/54/1019440354.db2.gz ZVCCCLMYGMDBGU-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H](NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225149 1019440361 /nfs/dbraw/zinc/44/03/61/1019440361.db2.gz ZVCCCLMYGMDBGU-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H](NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225149 1019440366 /nfs/dbraw/zinc/44/03/66/1019440366.db2.gz ZVCCCLMYGMDBGU-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513234362 1019461525 /nfs/dbraw/zinc/46/15/25/1019461525.db2.gz WFLWOPMJFOQUBM-SFHLNBCPSA-N 2 1 339.527 3.989 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513234362 1019461532 /nfs/dbraw/zinc/46/15/32/1019461532.db2.gz WFLWOPMJFOQUBM-SFHLNBCPSA-N 2 1 339.527 3.989 20 0 EHADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c(C)n1 ZINC001279465124 1019667447 /nfs/dbraw/zinc/66/74/47/1019667447.db2.gz WSPMVJSITPAYMZ-UHFFFAOYSA-N 2 1 327.516 3.929 20 0 EHADMP FC(F)(F)CCCN1CCC[C@@]2(CCC[N@@H+](C[C@H]3CCCO3)C2)C1 ZINC001279467555 1019717922 /nfs/dbraw/zinc/71/79/22/1019717922.db2.gz OGTDNNCUFSVXQK-IAGOWNOFSA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCCO3)C2)C1 ZINC001279467555 1019717940 /nfs/dbraw/zinc/71/79/40/1019717940.db2.gz OGTDNNCUFSVXQK-IAGOWNOFSA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCCO3)C2)C1 ZINC001279467555 1019717955 /nfs/dbraw/zinc/71/79/55/1019717955.db2.gz OGTDNNCUFSVXQK-IAGOWNOFSA-N 2 1 348.453 3.686 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000513480166 1019729619 /nfs/dbraw/zinc/72/96/19/1019729619.db2.gz XVCZWANEMOHCEQ-LAUBAEHRSA-N 2 1 326.484 3.583 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)c3ccc(F)cc3C[C@@H]2C)CC1 ZINC000500982278 1019731606 /nfs/dbraw/zinc/73/16/06/1019731606.db2.gz YFHKFIICCUNPIC-ZWKOTPCHSA-N 2 1 347.522 3.549 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000894230296 1019789803 /nfs/dbraw/zinc/78/98/03/1019789803.db2.gz CPGFRJOKFOLHDP-UHFFFAOYSA-N 2 1 347.450 3.556 20 0 EHADMP FC(F)C1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000282074573 1032864728 /nfs/dbraw/zinc/86/47/28/1032864728.db2.gz XCAOHWKAHIMJFB-VIQWUECVSA-N 2 1 336.470 3.965 20 0 EHADMP Cc1cnc(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000580771557 1019995168 /nfs/dbraw/zinc/99/51/68/1019995168.db2.gz OSTARMUSUDNGCG-FQEVSTJZSA-N 2 1 329.532 3.685 20 0 EHADMP Cc1cnc(CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000580771557 1019995177 /nfs/dbraw/zinc/99/51/77/1019995177.db2.gz OSTARMUSUDNGCG-FQEVSTJZSA-N 2 1 329.532 3.685 20 0 EHADMP c1c[nH]c([C@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2cccnc2)n1 ZINC000280111048 1020091650 /nfs/dbraw/zinc/09/16/50/1020091650.db2.gz NQRBCGZGXIWGFO-LJQANCHMSA-N 2 1 341.503 3.530 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000311060552 1020295267 /nfs/dbraw/zinc/29/52/67/1020295267.db2.gz JVMLOADRJSYQKB-LLVKDONJSA-N 2 1 331.323 3.675 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071258 1020401439 /nfs/dbraw/zinc/40/14/39/1020401439.db2.gz JLVKKVXRYWPQJN-MJGOQNOKSA-N 2 1 330.516 3.977 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071258 1020401442 /nfs/dbraw/zinc/40/14/42/1020401442.db2.gz JLVKKVXRYWPQJN-MJGOQNOKSA-N 2 1 330.516 3.977 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000513702962 1020637123 /nfs/dbraw/zinc/63/71/23/1020637123.db2.gz OYNBAOWLMTVZFL-RCBQFDQVSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H]2CCC[C@H]21 ZINC000513702963 1020637165 /nfs/dbraw/zinc/63/71/65/1020637165.db2.gz OYNBAOWLMTVZFL-UHOFOFEASA-N 2 1 341.268 3.551 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000501144803 1020731517 /nfs/dbraw/zinc/73/15/17/1020731517.db2.gz WDNIKHYICIOMEC-UHFFFAOYSA-N 2 1 339.527 3.688 20 0 EHADMP CCOC(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)OCC ZINC000276253040 1020965104 /nfs/dbraw/zinc/96/51/04/1020965104.db2.gz SJZWGPATUTXGJB-UHFFFAOYSA-N 2 1 336.520 3.523 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]21 ZINC000261970290 1021168462 /nfs/dbraw/zinc/16/84/62/1021168462.db2.gz YYMSQHGLIPWZKN-CWRNSKLLSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]21 ZINC000261970290 1021168464 /nfs/dbraw/zinc/16/84/64/1021168464.db2.gz YYMSQHGLIPWZKN-CWRNSKLLSA-N 2 1 331.847 3.554 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2s1 ZINC000656783381 1021322183 /nfs/dbraw/zinc/32/21/83/1021322183.db2.gz QOTQLQUSPNOEIZ-KRWDZBQOSA-N 2 1 329.513 3.816 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656785986 1021334255 /nfs/dbraw/zinc/33/42/55/1021334255.db2.gz OWHMHBNGIZWVNH-IBGZPJMESA-N 2 1 338.499 3.597 20 0 EHADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)nc1 ZINC000656785622 1021336112 /nfs/dbraw/zinc/33/61/12/1021336112.db2.gz MYXIAYDCHRLILO-OAQYLSRUSA-N 2 1 335.495 3.960 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000581674714 1021441325 /nfs/dbraw/zinc/44/13/25/1021441325.db2.gz SHGFWSMYGOMZAU-QFBILLFUSA-N 2 1 340.467 3.586 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000581674714 1021441342 /nfs/dbraw/zinc/44/13/42/1021441342.db2.gz SHGFWSMYGOMZAU-QFBILLFUSA-N 2 1 340.467 3.586 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000164477638 1021448407 /nfs/dbraw/zinc/44/84/07/1021448407.db2.gz PBGOFXCXBUZHTG-QGZVFWFLSA-N 2 1 343.515 3.729 20 0 EHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479144 1021468326 /nfs/dbraw/zinc/46/83/26/1021468326.db2.gz GDYPDQSZPOQCCX-MSOLQXFVSA-N 2 1 345.531 3.991 20 0 EHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479144 1021468332 /nfs/dbraw/zinc/46/83/32/1021468332.db2.gz GDYPDQSZPOQCCX-MSOLQXFVSA-N 2 1 345.531 3.991 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(Br)s2)C1 ZINC000518764692 1021516384 /nfs/dbraw/zinc/51/63/84/1021516384.db2.gz ZMIOFNRIFHHWRD-STQMWFEESA-N 2 1 345.350 3.968 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426418689 1021532946 /nfs/dbraw/zinc/53/29/46/1021532946.db2.gz HWCIGQZQHWHCPD-DLBZAZTESA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426418689 1021532956 /nfs/dbraw/zinc/53/29/56/1021532956.db2.gz HWCIGQZQHWHCPD-DLBZAZTESA-N 2 1 348.531 3.822 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(n2)CCC3)C[N@H+]1Cc1ccccc1 ZINC000519689563 1021624956 /nfs/dbraw/zinc/62/49/56/1021624956.db2.gz GPPFBBNIVGCRNH-QUCCMNQESA-N 2 1 349.522 3.961 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC000155251326 1021650051 /nfs/dbraw/zinc/65/00/51/1021650051.db2.gz KPSGAWBCEYQDDT-UHFFFAOYSA-N 2 1 342.458 3.501 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C)o1 ZINC000156372091 1021664898 /nfs/dbraw/zinc/66/48/98/1021664898.db2.gz ZANDSCWHWFVWOS-LPHOPBHVSA-N 2 1 346.471 3.567 20 0 EHADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)C(=O)OC ZINC001279517447 1021699776 /nfs/dbraw/zinc/69/97/76/1021699776.db2.gz MJABWXRYHYSXJP-WJXKREEZSA-N 2 1 338.536 3.597 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000518978776 1021736997 /nfs/dbraw/zinc/73/69/97/1021736997.db2.gz BRPVYXGGHUCAFX-UHFFFAOYSA-N 2 1 349.478 3.993 20 0 EHADMP CC1(C)C[C@H](NC2CC([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000684425269 1021808911 /nfs/dbraw/zinc/80/89/11/1021808911.db2.gz JCOTVWBGOZTNAH-KBWCOIMZSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400658714 1021834649 /nfs/dbraw/zinc/83/46/49/1021834649.db2.gz VSBZJCZTGKKOOT-WOJBJXKFSA-N 2 1 330.516 3.693 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400658714 1021834664 /nfs/dbraw/zinc/83/46/64/1021834664.db2.gz VSBZJCZTGKKOOT-WOJBJXKFSA-N 2 1 330.516 3.693 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969894 1021901694 /nfs/dbraw/zinc/90/16/94/1021901694.db2.gz KWVQENYCRQGRDJ-PCCBWWKXSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969894 1021901700 /nfs/dbraw/zinc/90/17/00/1021901700.db2.gz KWVQENYCRQGRDJ-PCCBWWKXSA-N 2 1 341.543 3.646 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167965905 1021903326 /nfs/dbraw/zinc/90/33/26/1021903326.db2.gz PTPFAQIGXRTTAY-UMQXSMKFSA-N 2 1 340.511 3.548 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OCCC(C)C ZINC000471756586 1021995258 /nfs/dbraw/zinc/99/52/58/1021995258.db2.gz FMKUCJFPJFHKEW-INIZCTEOSA-N 2 1 345.487 3.747 20 0 EHADMP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276660866 1022059535 /nfs/dbraw/zinc/05/95/35/1022059535.db2.gz NWPNGIYVPLKEOU-STQMWFEESA-N 2 1 325.378 3.763 20 0 EHADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000520289625 1022101200 /nfs/dbraw/zinc/10/12/00/1022101200.db2.gz JBGLHGMFBYFVHN-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000119417516 1033037028 /nfs/dbraw/zinc/03/70/28/1033037028.db2.gz HZGGKKKTUZGLKN-FQEVSTJZSA-N 2 1 327.472 3.653 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000119417516 1033037041 /nfs/dbraw/zinc/03/70/41/1033037041.db2.gz HZGGKKKTUZGLKN-FQEVSTJZSA-N 2 1 327.472 3.653 20 0 EHADMP Clc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409429 1022219352 /nfs/dbraw/zinc/21/93/52/1022219352.db2.gz OCCQUVFKTXYYRP-BEFAXECRSA-N 2 1 334.891 3.668 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535002 1022305847 /nfs/dbraw/zinc/30/58/47/1022305847.db2.gz CZRVRKLUDDFSPZ-KNQAVFIVSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535002 1022305863 /nfs/dbraw/zinc/30/58/63/1022305863.db2.gz CZRVRKLUDDFSPZ-KNQAVFIVSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535002 1022305877 /nfs/dbraw/zinc/30/58/77/1022305877.db2.gz CZRVRKLUDDFSPZ-KNQAVFIVSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000519535002 1022305895 /nfs/dbraw/zinc/30/58/95/1022305895.db2.gz CZRVRKLUDDFSPZ-KNQAVFIVSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000127893754 1022397520 /nfs/dbraw/zinc/39/75/20/1022397520.db2.gz BXWBBZHIEUTNBH-HNNXBMFYSA-N 2 1 325.294 3.577 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000894568172 1022567716 /nfs/dbraw/zinc/56/77/16/1022567716.db2.gz ZYFYFBQPPNORPS-IBGZPJMESA-N 2 1 340.515 3.714 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000894568172 1022567724 /nfs/dbraw/zinc/56/77/24/1022567724.db2.gz ZYFYFBQPPNORPS-IBGZPJMESA-N 2 1 340.515 3.714 20 0 EHADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000414934854 1022775864 /nfs/dbraw/zinc/77/58/64/1022775864.db2.gz AMAOIOMZGGVDPM-JTQLQIEISA-N 2 1 325.275 3.614 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)[C@H](C)C1 ZINC000188560011 1022825714 /nfs/dbraw/zinc/82/57/14/1022825714.db2.gz FQCNXQLNDVEIGH-RDTXWAMCSA-N 2 1 333.907 3.694 20 0 EHADMP Fc1cc(Cl)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000189059372 1022941198 /nfs/dbraw/zinc/94/11/98/1022941198.db2.gz SMUOMYDXDOJZLO-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP Fc1ccc(Cl)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000189061366 1022942478 /nfs/dbraw/zinc/94/24/78/1022942478.db2.gz FGHVBFRVFIUBQV-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000341752852 1023251612 /nfs/dbraw/zinc/25/16/12/1023251612.db2.gz YRILYMCVIOYDIW-HNNXBMFYSA-N 2 1 333.501 3.671 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000090252131 1023257578 /nfs/dbraw/zinc/25/75/78/1023257578.db2.gz OSJUMMPHYBCINH-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cccc(Br)c1 ZINC000092253887 1023370187 /nfs/dbraw/zinc/37/01/87/1023370187.db2.gz AVARCEQBWVLJLU-LSDHHAIUSA-N 2 1 339.321 3.826 20 0 EHADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000092253887 1023370197 /nfs/dbraw/zinc/37/01/97/1023370197.db2.gz AVARCEQBWVLJLU-LSDHHAIUSA-N 2 1 339.321 3.826 20 0 EHADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000092253887 1023370204 /nfs/dbraw/zinc/37/02/04/1023370204.db2.gz AVARCEQBWVLJLU-LSDHHAIUSA-N 2 1 339.321 3.826 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449759256 1033153759 /nfs/dbraw/zinc/15/37/59/1033153759.db2.gz JFQGXWYJKMQPRZ-MJUUVYJYSA-N 2 1 330.516 3.977 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449759256 1033153766 /nfs/dbraw/zinc/15/37/66/1033153766.db2.gz JFQGXWYJKMQPRZ-MJUUVYJYSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897773087 1033161108 /nfs/dbraw/zinc/16/11/08/1033161108.db2.gz FXSONWRKDMFMCS-DWPMMYFKSA-N 2 1 340.511 3.902 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897773087 1033161116 /nfs/dbraw/zinc/16/11/16/1033161116.db2.gz FXSONWRKDMFMCS-DWPMMYFKSA-N 2 1 340.511 3.902 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776727 1033163160 /nfs/dbraw/zinc/16/31/60/1033163160.db2.gz VJUGNNUTCBIVFF-IDGBJLRDSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776727 1033163170 /nfs/dbraw/zinc/16/31/70/1033163170.db2.gz VJUGNNUTCBIVFF-IDGBJLRDSA-N 2 1 340.511 3.731 20 0 EHADMP Cc1cccc(N2CCC([NH2+]CCc3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000428278209 1023978922 /nfs/dbraw/zinc/97/89/22/1023978922.db2.gz COAXLSYDBBTJDE-UHFFFAOYSA-N 2 1 347.865 3.984 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168019223 1023989098 /nfs/dbraw/zinc/98/90/98/1023989098.db2.gz HNEUKGGQQFWRCS-UKBAYJJMSA-N 2 1 344.524 3.813 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019223 1023989105 /nfs/dbraw/zinc/98/91/05/1023989105.db2.gz HNEUKGGQQFWRCS-UKBAYJJMSA-N 2 1 344.524 3.813 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105526 1024138106 /nfs/dbraw/zinc/13/81/06/1024138106.db2.gz RPRHAYBBAOFUNH-CJNGLKHVSA-N 2 1 330.394 3.968 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434673638 1024289803 /nfs/dbraw/zinc/28/98/03/1024289803.db2.gz DXHSBDOYJWXJGG-UHFFFAOYSA-N 2 1 339.483 3.786 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000895353453 1024370480 /nfs/dbraw/zinc/37/04/80/1024370480.db2.gz UQWQIHUPSOWPCH-UHFFFAOYSA-N 2 1 327.497 3.510 20 0 EHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853114 1024402312 /nfs/dbraw/zinc/40/23/12/1024402312.db2.gz RVJGNNAHMWPGNG-DYVFJYSZSA-N 2 1 337.895 3.554 20 0 EHADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000434757510 1024407608 /nfs/dbraw/zinc/40/76/08/1024407608.db2.gz PXZZOLCZMVGLEZ-AHRSYUTCSA-N 2 1 330.516 3.558 20 0 EHADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CCCCC1 ZINC000414856764 1024464148 /nfs/dbraw/zinc/46/41/48/1024464148.db2.gz ZLTJXDNDPIZLON-NRFANRHFSA-N 2 1 339.483 3.658 20 0 EHADMP Fc1cccc(Cl)c1CCC[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414857298 1024481475 /nfs/dbraw/zinc/48/14/75/1024481475.db2.gz CNTWAPFHRIQPHB-UHFFFAOYSA-N 2 1 335.854 3.576 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000346175396 1024491063 /nfs/dbraw/zinc/49/10/63/1024491063.db2.gz RCQZTUDQMCTIHW-UHFFFAOYSA-N 2 1 338.377 3.740 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000247625301 1024505348 /nfs/dbraw/zinc/50/53/48/1024505348.db2.gz NMLHWUBWIJXEAU-BBRMVZONSA-N 2 1 325.294 3.577 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028523 1024508949 /nfs/dbraw/zinc/50/89/49/1024508949.db2.gz PEGMIWMOWACOBM-KOUHRCEDSA-N 2 1 346.515 3.561 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCCCC1 ZINC000414859545 1024518357 /nfs/dbraw/zinc/51/83/57/1024518357.db2.gz MYZYBRDFLOZKJI-NJDAHSKKSA-N 2 1 341.543 3.538 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137201158 1024554481 /nfs/dbraw/zinc/55/44/81/1024554481.db2.gz DULDRPMXGNLNFI-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000346219389 1024561857 /nfs/dbraw/zinc/56/18/57/1024561857.db2.gz MXEXCIDOFXSYQB-FQEVSTJZSA-N 2 1 347.466 3.652 20 0 EHADMP c1cc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)sn1 ZINC000895526406 1024585377 /nfs/dbraw/zinc/58/53/77/1024585377.db2.gz AJDGJEZZLGRVED-QFBILLFUSA-N 2 1 327.497 3.643 20 0 EHADMP c1cc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)sn1 ZINC000895526406 1024585382 /nfs/dbraw/zinc/58/53/82/1024585382.db2.gz AJDGJEZZLGRVED-QFBILLFUSA-N 2 1 327.497 3.643 20 0 EHADMP CC[C@@H]1C[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCO1 ZINC000435059382 1024587971 /nfs/dbraw/zinc/58/79/71/1024587971.db2.gz HRDXJBGNHYXLFO-VQIMIIECSA-N 2 1 331.504 3.604 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784630 1033222918 /nfs/dbraw/zinc/22/29/18/1033222918.db2.gz XSQKHIAMRZBIIV-QGZVFWFLSA-N 2 1 345.531 3.991 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784630 1033222930 /nfs/dbraw/zinc/22/29/30/1033222930.db2.gz XSQKHIAMRZBIIV-QGZVFWFLSA-N 2 1 345.531 3.991 20 0 EHADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccco3)s2)CCN1c1cc[nH+]cc1 ZINC000895556034 1024610043 /nfs/dbraw/zinc/61/00/43/1024610043.db2.gz FKWACOVXHOTGIB-AWEZNQCLSA-N 2 1 340.452 3.509 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccco3)s2)CCN1c1cc[nH+]cc1 ZINC000895556034 1024610053 /nfs/dbraw/zinc/61/00/53/1024610053.db2.gz FKWACOVXHOTGIB-AWEZNQCLSA-N 2 1 340.452 3.509 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000281098116 1024653979 /nfs/dbraw/zinc/65/39/79/1024653979.db2.gz VQELEAZLXHMCLF-UHFFFAOYSA-N 2 1 338.495 3.712 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000430122655 1024668386 /nfs/dbraw/zinc/66/83/86/1024668386.db2.gz KMXHJXDXKMXXEN-JOCHJYFZSA-N 2 1 346.478 3.553 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000430122655 1024668389 /nfs/dbraw/zinc/66/83/89/1024668389.db2.gz KMXHJXDXKMXXEN-JOCHJYFZSA-N 2 1 346.478 3.553 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000430122655 1024668394 /nfs/dbraw/zinc/66/83/94/1024668394.db2.gz KMXHJXDXKMXXEN-JOCHJYFZSA-N 2 1 346.478 3.553 20 0 EHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000514706293 1024683366 /nfs/dbraw/zinc/68/33/66/1024683366.db2.gz HABVLMHPWWAAQO-ARWYELJZSA-N 2 1 348.453 3.609 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000474019726 1024750121 /nfs/dbraw/zinc/75/01/21/1024750121.db2.gz CKUSKUCKMVHJHJ-QHAWAJNXSA-N 2 1 330.516 3.823 20 0 EHADMP Fc1ccc(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000469811086 1024782029 /nfs/dbraw/zinc/78/20/29/1024782029.db2.gz UEWIKTJXWAZUSD-ZWKOTPCHSA-N 2 1 334.454 3.846 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CCCC1 ZINC000665247902 1024854386 /nfs/dbraw/zinc/85/43/86/1024854386.db2.gz LLMCPTYXHDUJKA-AWEZNQCLSA-N 2 1 339.277 3.524 20 0 EHADMP COc1ccccc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420319 1024908503 /nfs/dbraw/zinc/90/85/03/1024908503.db2.gz COSRMYMNPBOATP-LJQANCHMSA-N 2 1 342.508 3.901 20 0 EHADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000665252485 1024949341 /nfs/dbraw/zinc/94/93/41/1024949341.db2.gz QRLWBUHMGFNPCM-QZRMGYTESA-N 2 1 342.527 3.992 20 0 EHADMP CCn1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000157624400 1024971600 /nfs/dbraw/zinc/97/16/00/1024971600.db2.gz DTKYJCNQGROLPA-ROUUACIJSA-N 2 1 340.515 3.986 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000474470595 1025002618 /nfs/dbraw/zinc/00/26/18/1025002618.db2.gz DZJPTPMJOFTPIU-FPOVZHCZSA-N 2 1 330.516 3.754 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157662710 1025006167 /nfs/dbraw/zinc/00/61/67/1025006167.db2.gz NBPQSVSYAXHWBD-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000346673650 1025010393 /nfs/dbraw/zinc/01/03/93/1025010393.db2.gz IJDJRGKJHUZSJM-HNNXBMFYSA-N 2 1 328.884 3.553 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000346673650 1025010405 /nfs/dbraw/zinc/01/04/05/1025010405.db2.gz IJDJRGKJHUZSJM-HNNXBMFYSA-N 2 1 328.884 3.553 20 0 EHADMP CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000474480869 1025029269 /nfs/dbraw/zinc/02/92/69/1025029269.db2.gz VBQIAUGFYOTBQG-SOLBZPMBSA-N 2 1 334.504 3.660 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435617707 1025036285 /nfs/dbraw/zinc/03/62/85/1025036285.db2.gz NZTIHRAOROGIJF-HLAWJBBLSA-N 2 1 345.531 3.621 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435617707 1025036296 /nfs/dbraw/zinc/03/62/96/1025036296.db2.gz NZTIHRAOROGIJF-HLAWJBBLSA-N 2 1 345.531 3.621 20 0 EHADMP CC(C)C[N@H+]1CC[C@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168037426 1025174694 /nfs/dbraw/zinc/17/46/94/1025174694.db2.gz YDVDORLTUDFZQE-SBHAEUEKSA-N 2 1 343.559 3.748 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000474608322 1025206700 /nfs/dbraw/zinc/20/67/00/1025206700.db2.gz UWWPDMKEDZCDEK-OQUMVOOASA-N 2 1 338.536 3.599 20 0 EHADMP COCC1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039014 1025223704 /nfs/dbraw/zinc/22/37/04/1025223704.db2.gz AXDFZUCDUBFBHI-RMFSNUHRSA-N 2 1 330.516 3.786 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453266076 1025304268 /nfs/dbraw/zinc/30/42/68/1025304268.db2.gz YNBMSTZWIPRGDB-BRWVUGGUSA-N 2 1 344.421 3.769 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453266076 1025304274 /nfs/dbraw/zinc/30/42/74/1025304274.db2.gz YNBMSTZWIPRGDB-BRWVUGGUSA-N 2 1 344.421 3.769 20 0 EHADMP COc1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960157 1025340704 /nfs/dbraw/zinc/34/07/04/1025340704.db2.gz WODRYASFHJOIBN-WVVQBRDUSA-N 2 1 340.511 3.548 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434824 1025389988 /nfs/dbraw/zinc/38/99/88/1025389988.db2.gz AVUQNAGXAZIPAO-VQTJNVASSA-N 2 1 342.527 3.978 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434824 1025390001 /nfs/dbraw/zinc/39/00/01/1025390001.db2.gz AVUQNAGXAZIPAO-VQTJNVASSA-N 2 1 342.527 3.978 20 0 EHADMP CCC[N@@H+](Cc1ccc(OC)c(OCC(C)C)c1)C1CC[NH2+]CC1 ZINC000347027945 1025422508 /nfs/dbraw/zinc/42/25/08/1025422508.db2.gz VGDOLKINQMMGGD-UHFFFAOYSA-N 2 1 334.504 3.694 20 0 EHADMP C[NH+](C)[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442721372 1025453097 /nfs/dbraw/zinc/45/30/97/1025453097.db2.gz UBQFAARVTQGAJR-IERDGZPVSA-N 2 1 325.500 3.735 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474796207 1025472358 /nfs/dbraw/zinc/47/23/58/1025472358.db2.gz STRIZJBOJIWWBC-OAQYLSRUSA-N 2 1 332.532 3.905 20 0 EHADMP CC[C@H](C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647244590 1025510915 /nfs/dbraw/zinc/51/09/15/1025510915.db2.gz CFISJEGULMEGPS-SXLOBPIMSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@H](C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647244590 1025510929 /nfs/dbraw/zinc/51/09/29/1025510929.db2.gz CFISJEGULMEGPS-SXLOBPIMSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1Cl ZINC000442890180 1025570543 /nfs/dbraw/zinc/57/05/43/1025570543.db2.gz NPWHBFRDGUGKGU-GOSISDBHSA-N 2 1 337.939 3.653 20 0 EHADMP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CCn1ccnc1C ZINC000425530172 1025648105 /nfs/dbraw/zinc/64/81/05/1025648105.db2.gz AILOENQWVTUPHB-UHFFFAOYSA-N 2 1 325.378 3.775 20 0 EHADMP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)CCn1cc[nH+]c1C ZINC000425530172 1025648112 /nfs/dbraw/zinc/64/81/12/1025648112.db2.gz AILOENQWVTUPHB-UHFFFAOYSA-N 2 1 325.378 3.775 20 0 EHADMP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CCn1cc[nH+]c1C ZINC000425530172 1025648120 /nfs/dbraw/zinc/64/81/20/1025648120.db2.gz AILOENQWVTUPHB-UHFFFAOYSA-N 2 1 325.378 3.775 20 0 EHADMP Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000443058118 1025692745 /nfs/dbraw/zinc/69/27/45/1025692745.db2.gz JIQPBWHUTYJMIX-AWEZNQCLSA-N 2 1 333.863 3.864 20 0 EHADMP COc1c(C)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1C ZINC000121770764 1025764673 /nfs/dbraw/zinc/76/46/73/1025764673.db2.gz MKJSXQMWCIJUIY-UHFFFAOYSA-N 2 1 327.472 3.500 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1)C(C)C ZINC000511097604 1025780099 /nfs/dbraw/zinc/78/00/99/1025780099.db2.gz GALWMIJJDAPELD-HXUWFJFHSA-N 2 1 347.547 3.623 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207285300 1025782277 /nfs/dbraw/zinc/78/22/77/1025782277.db2.gz FKLMNJBVWQUKKP-UHFFFAOYSA-N 2 1 331.548 3.561 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051814 1025909271 /nfs/dbraw/zinc/90/92/71/1025909271.db2.gz ISNLIUSLSZJSAQ-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051814 1025909287 /nfs/dbraw/zinc/90/92/87/1025909287.db2.gz ISNLIUSLSZJSAQ-KOUHRCEDSA-N 2 1 330.516 3.929 20 0 EHADMP CCN(CC[NH+]1CCCC1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168051825 1025912943 /nfs/dbraw/zinc/91/29/43/1025912943.db2.gz JCNVVQWWIULXRG-VTYHHJSWSA-N 2 1 343.559 3.846 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC[NH+]3CCC[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168052323 1025963413 /nfs/dbraw/zinc/96/34/13/1025963413.db2.gz KNZKOVLIOMNAQW-MXNKGDRCSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168052323 1025963423 /nfs/dbraw/zinc/96/34/23/1025963423.db2.gz KNZKOVLIOMNAQW-MXNKGDRCSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC[N@H+]3CCC[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168052323 1025963438 /nfs/dbraw/zinc/96/34/38/1025963438.db2.gz KNZKOVLIOMNAQW-MXNKGDRCSA-N 2 1 341.543 3.598 20 0 EHADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1CCC(C)C ZINC000444284463 1026008286 /nfs/dbraw/zinc/00/82/86/1026008286.db2.gz GKCXRGXCKJXHQM-UHFFFAOYSA-N 2 1 347.547 3.607 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121209301 1026057862 /nfs/dbraw/zinc/05/78/62/1026057862.db2.gz ZSFTYQPJRZHADO-UFYCRDLUSA-N 2 1 328.500 3.574 20 0 EHADMP CCCn1nccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657416569 1026140885 /nfs/dbraw/zinc/14/08/85/1026140885.db2.gz VIXSLANKCXYXBI-AZUAARDMSA-N 2 1 340.515 3.683 20 0 EHADMP C[C@@H]1CC([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058009 1026317130 /nfs/dbraw/zinc/31/71/30/1026317130.db2.gz AGNJEUHEPFIEPL-QQLLLHEWSA-N 2 1 340.511 3.537 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905629 1026391285 /nfs/dbraw/zinc/39/12/85/1026391285.db2.gz UIJAUHSOTRIPFG-CABCVRRESA-N 2 1 344.421 3.889 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905629 1026391292 /nfs/dbraw/zinc/39/12/92/1026391292.db2.gz UIJAUHSOTRIPFG-CABCVRRESA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905629 1026391305 /nfs/dbraw/zinc/39/13/05/1026391305.db2.gz UIJAUHSOTRIPFG-CABCVRRESA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000530905629 1026391323 /nfs/dbraw/zinc/39/13/23/1026391323.db2.gz UIJAUHSOTRIPFG-CABCVRRESA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000125203353 1026475955 /nfs/dbraw/zinc/47/59/55/1026475955.db2.gz JTXPPCTWNDJPLH-QZTJIDSGSA-N 3 1 329.532 3.532 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655711138 1026535256 /nfs/dbraw/zinc/53/52/56/1026535256.db2.gz HFFPQILRROBPMQ-DLBZAZTESA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655711138 1026535267 /nfs/dbraw/zinc/53/52/67/1026535267.db2.gz HFFPQILRROBPMQ-DLBZAZTESA-N 2 1 344.890 3.551 20 0 EHADMP COC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC(C)CC1 ZINC000475427281 1026608974 /nfs/dbraw/zinc/60/89/74/1026608974.db2.gz GHBIDUQNNGOZRL-UHFFFAOYSA-N 2 1 330.516 3.836 20 0 EHADMP C[NH2+]Cc1c(C)nn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001168064924 1026620308 /nfs/dbraw/zinc/62/03/08/1026620308.db2.gz SMCDCCWVDAMTMP-CWPLJXCYSA-N 2 1 340.515 3.833 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192921013 1026640486 /nfs/dbraw/zinc/64/04/86/1026640486.db2.gz DBEPZWHVYNYVNC-WIYYLYMNSA-N 2 1 338.495 3.738 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000657491460 1026751196 /nfs/dbraw/zinc/75/11/96/1026751196.db2.gz GHPTVJGGDDVVLC-KRWDZBQOSA-N 2 1 329.513 3.940 20 0 EHADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CC2)CC1 ZINC000301308908 1026757803 /nfs/dbraw/zinc/75/78/03/1026757803.db2.gz DJMSXNNSMWAJIJ-UHFFFAOYSA-N 2 1 346.272 3.529 20 0 EHADMP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301465018 1026815662 /nfs/dbraw/zinc/81/56/62/1026815662.db2.gz LFDLYDKEUQLUCJ-CQSZACIVSA-N 2 1 348.288 3.918 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378457 1026865672 /nfs/dbraw/zinc/86/56/72/1026865672.db2.gz NKYIKAYLFVPNFW-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378457 1026865678 /nfs/dbraw/zinc/86/56/78/1026865678.db2.gz NKYIKAYLFVPNFW-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1 ZINC000301735845 1026919955 /nfs/dbraw/zinc/91/99/55/1026919955.db2.gz RCQJMKHLNMDUKW-MRXNPFEDSA-N 2 1 339.487 3.529 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1 ZINC000301735845 1026919962 /nfs/dbraw/zinc/91/99/62/1026919962.db2.gz RCQJMKHLNMDUKW-MRXNPFEDSA-N 2 1 339.487 3.529 20 0 EHADMP CC[N@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066652 1026938545 /nfs/dbraw/zinc/93/85/45/1026938545.db2.gz QUKRRZPAJFNBFN-CEQLMSFQSA-N 2 1 343.559 3.844 20 0 EHADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066652 1026938552 /nfs/dbraw/zinc/93/85/52/1026938552.db2.gz QUKRRZPAJFNBFN-CEQLMSFQSA-N 2 1 343.559 3.844 20 0 EHADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066652 1026938560 /nfs/dbraw/zinc/93/85/60/1026938560.db2.gz QUKRRZPAJFNBFN-CEQLMSFQSA-N 2 1 343.559 3.844 20 0 EHADMP Cc1nccn1CCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125542150 1027091904 /nfs/dbraw/zinc/09/19/04/1027091904.db2.gz RJPMSDDGLBPZSP-HXUWFJFHSA-N 2 1 326.488 3.573 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125542150 1027091914 /nfs/dbraw/zinc/09/19/14/1027091914.db2.gz RJPMSDDGLBPZSP-HXUWFJFHSA-N 2 1 326.488 3.573 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000125542150 1027091925 /nfs/dbraw/zinc/09/19/25/1027091925.db2.gz RJPMSDDGLBPZSP-HXUWFJFHSA-N 2 1 326.488 3.573 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OCCC(C)C ZINC000531682998 1027206575 /nfs/dbraw/zinc/20/65/75/1027206575.db2.gz XYMIBBYHSJOCJG-YQVWRLOYSA-N 2 1 348.531 3.938 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OCCC(C)C ZINC000531682998 1027206593 /nfs/dbraw/zinc/20/65/93/1027206593.db2.gz XYMIBBYHSJOCJG-YQVWRLOYSA-N 2 1 348.531 3.938 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000501330945 1027208940 /nfs/dbraw/zinc/20/89/40/1027208940.db2.gz REVIBZQKXYCZBS-UHFFFAOYSA-N 2 1 344.421 3.889 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000501330945 1027208956 /nfs/dbraw/zinc/20/89/56/1027208956.db2.gz REVIBZQKXYCZBS-UHFFFAOYSA-N 2 1 344.421 3.889 20 0 EHADMP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126658799 1027226145 /nfs/dbraw/zinc/22/61/45/1027226145.db2.gz CTHGSEFOCXLYAY-HSZRJFAPSA-N 2 1 349.522 3.520 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562852 1027304732 /nfs/dbraw/zinc/30/47/32/1027304732.db2.gz JIUFNMOIMKLHQJ-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562852 1027304749 /nfs/dbraw/zinc/30/47/49/1027304749.db2.gz JIUFNMOIMKLHQJ-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453058032 1027307065 /nfs/dbraw/zinc/30/70/65/1027307065.db2.gz IOJAZKQDCMIEMA-RBUKOAKNSA-N 2 1 347.890 3.615 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000420304195 1027453646 /nfs/dbraw/zinc/45/36/46/1027453646.db2.gz LFEXQVWHTFMCGD-XLIONFOSSA-N 2 1 328.431 3.714 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000420304136 1027454239 /nfs/dbraw/zinc/45/42/39/1027454239.db2.gz KYJYVRGOBKFDOK-BBRMVZONSA-N 2 1 334.410 3.709 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000453171124 1027490203 /nfs/dbraw/zinc/49/02/03/1027490203.db2.gz VPVXLABPAJNWTL-QNDFHXLGSA-N 2 1 328.500 3.587 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000420366617 1027490735 /nfs/dbraw/zinc/49/07/35/1027490735.db2.gz GGCLCULKZDUCOB-ZBFHGGJFSA-N 2 1 344.421 3.648 20 0 EHADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420366599 1027491110 /nfs/dbraw/zinc/49/11/10/1027491110.db2.gz GFQDJDBYPCMEFB-SJORKVTESA-N 2 1 336.907 3.821 20 0 EHADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@H]1CCC[NH2+]C1 ZINC000420368189 1027495069 /nfs/dbraw/zinc/49/50/69/1027495069.db2.gz HODUVWNUNBOCRV-CVEARBPZSA-N 2 1 333.545 3.591 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420381597 1027501680 /nfs/dbraw/zinc/50/16/80/1027501680.db2.gz RUMHHDBMOMEETM-JOCHJYFZSA-N 2 1 349.478 3.514 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420381597 1027501695 /nfs/dbraw/zinc/50/16/95/1027501695.db2.gz RUMHHDBMOMEETM-JOCHJYFZSA-N 2 1 349.478 3.514 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000414659332 1027732280 /nfs/dbraw/zinc/73/22/80/1027732280.db2.gz LCOORZODZWUMCQ-IAGOWNOFSA-N 2 1 340.515 3.647 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657639434 1027745228 /nfs/dbraw/zinc/74/52/28/1027745228.db2.gz XNNSDQAHEBXSOY-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657639434 1027745247 /nfs/dbraw/zinc/74/52/47/1027745247.db2.gz XNNSDQAHEBXSOY-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP CC(C)OC1CC([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355135 1027884244 /nfs/dbraw/zinc/88/42/44/1027884244.db2.gz AYILBRVONLZGAB-ZGJBTBESSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355135 1027884264 /nfs/dbraw/zinc/88/42/64/1027884264.db2.gz AYILBRVONLZGAB-ZGJBTBESSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000459355135 1027884282 /nfs/dbraw/zinc/88/42/82/1027884282.db2.gz AYILBRVONLZGAB-ZGJBTBESSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000459355135 1027884303 /nfs/dbraw/zinc/88/43/03/1027884303.db2.gz AYILBRVONLZGAB-ZGJBTBESSA-N 2 1 342.527 3.929 20 0 EHADMP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000503559387 1027893033 /nfs/dbraw/zinc/89/30/33/1027893033.db2.gz GUEBSYJOEGEMDM-BAAYTWLHSA-N 2 1 326.406 3.992 20 0 EHADMP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000503559387 1027893056 /nfs/dbraw/zinc/89/30/56/1027893056.db2.gz GUEBSYJOEGEMDM-BAAYTWLHSA-N 2 1 326.406 3.992 20 0 EHADMP CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915427 1027902591 /nfs/dbraw/zinc/90/25/91/1027902591.db2.gz LPUOIEJWECCRDD-WOJBJXKFSA-N 2 1 348.556 3.625 20 0 EHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915427 1027902608 /nfs/dbraw/zinc/90/26/08/1027902608.db2.gz LPUOIEJWECCRDD-WOJBJXKFSA-N 2 1 348.556 3.625 20 0 EHADMP Cn1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000657661491 1027917098 /nfs/dbraw/zinc/91/70/98/1027917098.db2.gz QMUGIKFCPZOPIH-UHFFFAOYSA-N 2 1 347.506 3.975 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690478 1027933788 /nfs/dbraw/zinc/93/37/88/1027933788.db2.gz ICSWAIMCGQEKLV-XNJGSVPQSA-N 2 1 343.298 3.755 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690478 1027933802 /nfs/dbraw/zinc/93/38/02/1027933802.db2.gz ICSWAIMCGQEKLV-XNJGSVPQSA-N 2 1 343.298 3.755 20 0 EHADMP C[N@H+]1CCCC[C@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1 ZINC001167625398 1027951526 /nfs/dbraw/zinc/95/15/26/1027951526.db2.gz WWHVMKQZLDWNKG-KRWDZBQOSA-N 2 1 330.520 3.723 20 0 EHADMP CCC(CC)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000459362782 1027953870 /nfs/dbraw/zinc/95/38/70/1027953870.db2.gz HDUKXPJSLTYDJJ-NRFANRHFSA-N 2 1 344.547 3.541 20 0 EHADMP CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422827815 1027970797 /nfs/dbraw/zinc/97/07/97/1027970797.db2.gz NMSKGNUHHVTIDD-LPHOPBHVSA-N 2 1 342.483 3.532 20 0 EHADMP C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH+]ccc1N ZINC000422839661 1027981578 /nfs/dbraw/zinc/98/15/78/1027981578.db2.gz ABLIHTLBNRXRPP-LIRRHRJNSA-N 2 1 344.890 3.635 20 0 EHADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422883316 1028016226 /nfs/dbraw/zinc/01/62/26/1028016226.db2.gz QLEANGNFFTVSGR-SJORKVTESA-N 2 1 338.499 3.577 20 0 EHADMP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(O[C@@H]2CCOC2)c1 ZINC000422870456 1028028801 /nfs/dbraw/zinc/02/88/01/1028028801.db2.gz BSUSWHBNEJOIMC-MISYRCLQSA-N 2 1 346.515 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000422897778 1028034961 /nfs/dbraw/zinc/03/49/61/1028034961.db2.gz CUFHYKOLSNZFQO-MOPGFXCFSA-N 2 1 336.414 3.554 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422914254 1028045599 /nfs/dbraw/zinc/04/55/99/1028045599.db2.gz SMCMGYGLALMQHB-PQEBFOHHSA-N 2 1 342.512 3.776 20 0 EHADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414706091 1028089555 /nfs/dbraw/zinc/08/95/55/1028089555.db2.gz GFDMOYORONOVAT-GOSISDBHSA-N 2 1 346.519 3.556 20 0 EHADMP CC[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423001307 1028113595 /nfs/dbraw/zinc/11/35/95/1028113595.db2.gz DOQNNYHMRHQBBT-RTWAWAEBSA-N 2 1 341.499 3.532 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004394 1028118670 /nfs/dbraw/zinc/11/86/70/1028118670.db2.gz OWLOFJUNKRSGSL-CVEARBPZSA-N 2 1 330.394 3.515 20 0 EHADMP C[C@H]([NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]1 ZINC000423015500 1028126772 /nfs/dbraw/zinc/12/67/72/1028126772.db2.gz RGTVRTMWNIILSE-BLLLJJGKSA-N 2 1 335.904 3.736 20 0 EHADMP Fc1ccc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423030436 1028138634 /nfs/dbraw/zinc/13/86/34/1028138634.db2.gz JSPMKIFNCRHVQJ-MRYXYKOTSA-N 2 1 346.490 3.599 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2CC)[C@@H](C)C1 ZINC000444682787 1028153272 /nfs/dbraw/zinc/15/32/72/1028153272.db2.gz BWCWQFBYQPGOFF-RXVVDRJESA-N 2 1 332.532 3.518 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423119291 1028187521 /nfs/dbraw/zinc/18/75/21/1028187521.db2.gz DMFRQEKXHHWDIM-FRYIKTPZSA-N 2 1 338.499 3.834 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423111685 1028204211 /nfs/dbraw/zinc/20/42/11/1028204211.db2.gz JAJGVUCLUQPEOY-JLSDUUJJSA-N 2 1 338.442 3.903 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000423192753 1028263160 /nfs/dbraw/zinc/26/31/60/1028263160.db2.gz WCYRWQGBBBEMMY-NRFANRHFSA-N 2 1 325.500 3.727 20 0 EHADMP CC(C)[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000423244225 1028306939 /nfs/dbraw/zinc/30/69/39/1028306939.db2.gz NMBGEUIUABIFSM-QAPCUYQASA-N 2 1 325.412 3.520 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC(F)F ZINC000423267947 1028332312 /nfs/dbraw/zinc/33/23/12/1028332312.db2.gz UFWTUMFCPNCLMM-WFASDCNBSA-N 2 1 342.430 3.855 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000423276743 1028336708 /nfs/dbraw/zinc/33/67/08/1028336708.db2.gz OYCOFTHRRHLEKK-WDEREUQCSA-N 2 1 325.250 3.701 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337538 1028340976 /nfs/dbraw/zinc/34/09/76/1028340976.db2.gz OIBOSPMYCSUSAM-QZTJIDSGSA-N 2 1 349.588 3.984 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319075 1028348398 /nfs/dbraw/zinc/34/83/98/1028348398.db2.gz LOHBRNLKOIBLIA-JLTOFOAXSA-N 2 1 328.431 3.793 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423321601 1028350556 /nfs/dbraw/zinc/35/05/56/1028350556.db2.gz GOUVTWMBAVXHTR-DYESRHJHSA-N 2 1 340.515 3.838 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CCC1 ZINC000423320918 1028351026 /nfs/dbraw/zinc/35/10/26/1028351026.db2.gz GUWMECBRPUUVRP-CYBMUJFWSA-N 2 1 329.669 3.561 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000423321266 1028351647 /nfs/dbraw/zinc/35/16/47/1028351647.db2.gz FGJBDAKOPFIGMX-XOKHGSTOSA-N 2 1 344.421 3.851 20 0 EHADMP CCCCCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000414732006 1028356501 /nfs/dbraw/zinc/35/65/01/1028356501.db2.gz FPHNYACXTFQHRT-SFHVURJKSA-N 2 1 334.504 3.838 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423343075 1028359064 /nfs/dbraw/zinc/35/90/64/1028359064.db2.gz NLXSWUWNHAJCLB-ABAIWWIYSA-N 2 1 329.257 3.629 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000161961366 1028382341 /nfs/dbraw/zinc/38/23/41/1028382341.db2.gz IQCSKGOGAJBWKQ-RKVPGOIHSA-N 2 1 329.513 3.671 20 0 EHADMP COc1cccc([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000423364076 1028391621 /nfs/dbraw/zinc/39/16/21/1028391621.db2.gz JJQVCZYQTIHCDO-WSXQUGQNSA-N 2 1 346.421 3.770 20 0 EHADMP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000523559259 1028417321 /nfs/dbraw/zinc/41/73/21/1028417321.db2.gz NFEAEBYYTQAFGD-SFHVURJKSA-N 2 1 330.516 3.781 20 0 EHADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000523559259 1028417329 /nfs/dbraw/zinc/41/73/29/1028417329.db2.gz NFEAEBYYTQAFGD-SFHVURJKSA-N 2 1 330.516 3.781 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505907 1028469842 /nfs/dbraw/zinc/46/98/42/1028469842.db2.gz IBTCUAZEMNPLEY-AOCRQIFASA-N 2 1 341.499 3.608 20 0 EHADMP Clc1cccc2c1CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507024 1028472708 /nfs/dbraw/zinc/47/27/08/1028472708.db2.gz JKENABFNAVLRKF-PMTKGXAQSA-N 2 1 347.934 3.523 20 0 EHADMP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423488865 1028477864 /nfs/dbraw/zinc/47/78/64/1028477864.db2.gz FEIJHMHWCCWYOZ-IAGOWNOFSA-N 2 1 344.421 3.761 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194044461 1028484421 /nfs/dbraw/zinc/48/44/21/1028484421.db2.gz KIMRBLFHPKFDMV-NASSWSRMSA-N 2 1 340.511 3.759 20 0 EHADMP c1ccc(C([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423526642 1028498701 /nfs/dbraw/zinc/49/87/01/1028498701.db2.gz ZVIYIEIBHCOVCQ-UHFFFAOYSA-N 2 1 349.522 3.582 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000162223211 1028516114 /nfs/dbraw/zinc/51/61/14/1028516114.db2.gz QIZRVBOODRWOGC-AWEZNQCLSA-N 2 1 330.501 3.783 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000072974720 1028532201 /nfs/dbraw/zinc/53/22/01/1028532201.db2.gz PKAYYZLJICBIII-RTBURBONSA-N 2 1 343.515 3.602 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072974720 1028532212 /nfs/dbraw/zinc/53/22/12/1028532212.db2.gz PKAYYZLJICBIII-RTBURBONSA-N 2 1 343.515 3.602 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072974720 1028532220 /nfs/dbraw/zinc/53/22/20/1028532220.db2.gz PKAYYZLJICBIII-RTBURBONSA-N 2 1 343.515 3.602 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc(F)cc(F)c3)CC2)nc(C)[nH+]1 ZINC000162275645 1028548410 /nfs/dbraw/zinc/54/84/10/1028548410.db2.gz OLIUIAFSKKNPQP-CYBMUJFWSA-N 2 1 346.425 3.691 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccnc1Cl ZINC000122315622 1028612884 /nfs/dbraw/zinc/61/28/84/1028612884.db2.gz CZUJKXXHVKMQOR-CQSZACIVSA-N 2 1 333.863 3.526 20 0 EHADMP Cc1sc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000246549939 1028656306 /nfs/dbraw/zinc/65/63/06/1028656306.db2.gz WLTGSNDAKLHUAD-ROUUACIJSA-N 2 1 341.524 3.877 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246904452 1028711136 /nfs/dbraw/zinc/71/11/36/1028711136.db2.gz GBIMYECPFXMFHF-IAGOWNOFSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773638 1028792822 /nfs/dbraw/zinc/79/28/22/1028792822.db2.gz DQKCZOAIGJYXIP-OLZOCXBDSA-N 2 1 343.334 3.641 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000445436228 1028791740 /nfs/dbraw/zinc/79/17/40/1028791740.db2.gz PDOVBWYPQIHPPV-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000445436228 1028791747 /nfs/dbraw/zinc/79/17/47/1028791747.db2.gz PDOVBWYPQIHPPV-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436228 1028791756 /nfs/dbraw/zinc/79/17/56/1028791756.db2.gz PDOVBWYPQIHPPV-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436228 1028791764 /nfs/dbraw/zinc/79/17/64/1028791764.db2.gz PDOVBWYPQIHPPV-RXVVDRJESA-N 2 1 330.516 3.788 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000421828638 1028817445 /nfs/dbraw/zinc/81/74/45/1028817445.db2.gz DQMXWANKAIKEIF-CMKODMSKSA-N 2 1 330.516 3.977 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000421828638 1028817459 /nfs/dbraw/zinc/81/74/59/1028817459.db2.gz DQMXWANKAIKEIF-CMKODMSKSA-N 2 1 330.516 3.977 20 0 EHADMP CC[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N1CCCC1 ZINC000513760193 1028824151 /nfs/dbraw/zinc/82/41/51/1028824151.db2.gz IKSCHGSOWPMCKH-ATKRNPRHSA-N 3 1 343.559 3.894 20 0 EHADMP CC[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000513760193 1028824173 /nfs/dbraw/zinc/82/41/73/1028824173.db2.gz IKSCHGSOWPMCKH-ATKRNPRHSA-N 3 1 343.559 3.894 20 0 EHADMP CC[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000513760193 1028824195 /nfs/dbraw/zinc/82/41/95/1028824195.db2.gz IKSCHGSOWPMCKH-ATKRNPRHSA-N 3 1 343.559 3.894 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1NC(C)=O ZINC000247978944 1028835031 /nfs/dbraw/zinc/83/50/31/1028835031.db2.gz LYAIYNYRUWJHGQ-JKSUJKDBSA-N 2 1 347.503 3.569 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1NC(C)=O ZINC000247978944 1028835042 /nfs/dbraw/zinc/83/50/42/1028835042.db2.gz LYAIYNYRUWJHGQ-JKSUJKDBSA-N 2 1 347.503 3.569 20 0 EHADMP CC(C)n1cncc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424149128 1028836520 /nfs/dbraw/zinc/83/65/20/1028836520.db2.gz BBSOSFDWYRVJFA-UYAOXDASSA-N 2 1 340.515 3.854 20 0 EHADMP CC(C)n1cncc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424149125 1028837350 /nfs/dbraw/zinc/83/73/50/1028837350.db2.gz BBSOSFDWYRVJFA-AZUAARDMSA-N 2 1 340.515 3.854 20 0 EHADMP CC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000247978369 1028838048 /nfs/dbraw/zinc/83/80/48/1028838048.db2.gz IBISLHNQNSASJI-OGAVPMENSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000247978369 1028838064 /nfs/dbraw/zinc/83/80/64/1028838064.db2.gz IBISLHNQNSASJI-OGAVPMENSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000247978369 1028838081 /nfs/dbraw/zinc/83/80/81/1028838081.db2.gz IBISLHNQNSASJI-OGAVPMENSA-N 2 1 341.543 3.502 20 0 EHADMP c1csc(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000248402806 1028893733 /nfs/dbraw/zinc/89/37/33/1028893733.db2.gz NTYREDRZIDVDGO-FHWLQOOXSA-N 2 1 341.524 3.576 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288093 1028930866 /nfs/dbraw/zinc/93/08/66/1028930866.db2.gz KDBLWTNMLHRQTQ-OAHLLOKOSA-N 2 1 325.456 3.614 20 0 EHADMP COC(=O)CC1CC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000424290678 1028931959 /nfs/dbraw/zinc/93/19/59/1028931959.db2.gz BJPKUMQJVGIHAU-LRYGQEGESA-N 2 1 344.499 3.581 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424283278 1028955020 /nfs/dbraw/zinc/95/50/20/1028955020.db2.gz BEWSNXUXHHYABM-AWEZNQCLSA-N 2 1 345.487 3.913 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1c(Cl)ccc3cccnc31)CC[NH2+]CC2 ZINC000424284110 1028958396 /nfs/dbraw/zinc/95/83/96/1028958396.db2.gz CLEYQTUYZIYTHC-AWEZNQCLSA-N 2 1 329.875 3.852 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076433 1029030007 /nfs/dbraw/zinc/03/00/07/1029030007.db2.gz UNZWSAIRAGGUNH-DZGCQCFKSA-N 2 1 343.298 3.931 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076433 1029030023 /nfs/dbraw/zinc/03/00/23/1029030023.db2.gz UNZWSAIRAGGUNH-DZGCQCFKSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076433 1029030040 /nfs/dbraw/zinc/03/00/40/1029030040.db2.gz UNZWSAIRAGGUNH-DZGCQCFKSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076433 1029030057 /nfs/dbraw/zinc/03/00/57/1029030057.db2.gz UNZWSAIRAGGUNH-DZGCQCFKSA-N 2 1 343.298 3.931 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076434 1029031109 /nfs/dbraw/zinc/03/11/09/1029031109.db2.gz UNZWSAIRAGGUNH-HIFRSBDPSA-N 2 1 343.298 3.931 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076434 1029031125 /nfs/dbraw/zinc/03/11/25/1029031125.db2.gz UNZWSAIRAGGUNH-HIFRSBDPSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076434 1029031142 /nfs/dbraw/zinc/03/11/42/1029031142.db2.gz UNZWSAIRAGGUNH-HIFRSBDPSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076434 1029031148 /nfs/dbraw/zinc/03/11/48/1029031148.db2.gz UNZWSAIRAGGUNH-HIFRSBDPSA-N 2 1 343.298 3.931 20 0 EHADMP CSC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424373309 1029034895 /nfs/dbraw/zinc/03/48/95/1029034895.db2.gz JMYKJXMZWAGFSL-KFWWJZLASA-N 2 1 332.435 3.969 20 0 EHADMP Cc1cc(Br)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424372061 1029035119 /nfs/dbraw/zinc/03/51/19/1029035119.db2.gz FHLLMGDMKCXVML-NSHDSACASA-N 2 1 343.334 3.783 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(-c3cccs3)s1)CC[NH2+]CC2 ZINC000424379762 1029037676 /nfs/dbraw/zinc/03/76/76/1029037676.db2.gz PATPFIXOAOLGNG-ZDUSSCGKSA-N 2 1 333.526 3.836 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414803935 1029195698 /nfs/dbraw/zinc/19/56/98/1029195698.db2.gz DIBRJOLIGDFGOA-UHFFFAOYSA-N 2 1 325.703 3.771 20 0 EHADMP CCCC[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000154539778 1029219129 /nfs/dbraw/zinc/21/91/29/1029219129.db2.gz SUPVILKXNHTLHQ-KRWDZBQOSA-N 2 1 328.460 3.511 20 0 EHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000271918413 1029228443 /nfs/dbraw/zinc/22/84/43/1029228443.db2.gz ZKDHUILIBLQLIV-NSHDSACASA-N 2 1 330.806 3.854 20 0 EHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000271918411 1029230126 /nfs/dbraw/zinc/23/01/26/1029230126.db2.gz ZKDHUILIBLQLIV-LLVKDONJSA-N 2 1 330.806 3.854 20 0 EHADMP C[N@H+](Cc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285644356 1029303047 /nfs/dbraw/zinc/30/30/47/1029303047.db2.gz XXRUNDDIENKFCN-FUNVUKJBSA-N 2 1 329.307 3.568 20 0 EHADMP C[N@@H+](Cc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285644356 1029303063 /nfs/dbraw/zinc/30/30/63/1029303063.db2.gz XXRUNDDIENKFCN-FUNVUKJBSA-N 2 1 329.307 3.568 20 0 EHADMP C[NH+](Cc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285644356 1029303071 /nfs/dbraw/zinc/30/30/71/1029303071.db2.gz XXRUNDDIENKFCN-FUNVUKJBSA-N 2 1 329.307 3.568 20 0 EHADMP C[NH+](Cc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285644356 1029303085 /nfs/dbraw/zinc/30/30/85/1029303085.db2.gz XXRUNDDIENKFCN-FUNVUKJBSA-N 2 1 329.307 3.568 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000414813531 1029309478 /nfs/dbraw/zinc/30/94/78/1029309478.db2.gz TYHXYILCHBAZGY-WWMYMODYSA-N 3 1 329.532 3.839 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414816732 1029371505 /nfs/dbraw/zinc/37/15/05/1029371505.db2.gz QIJCTWVDVXATCW-FZMZJTMJSA-N 2 1 331.273 3.626 20 0 EHADMP C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000414823346 1029437661 /nfs/dbraw/zinc/43/76/61/1029437661.db2.gz OFFXDOKFBSWWKO-IUCAKERBSA-N 2 1 337.714 3.642 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCCO1 ZINC000272401584 1029448937 /nfs/dbraw/zinc/44/89/37/1029448937.db2.gz JGRNAJQJPPAKJH-RQUKQETFSA-N 2 1 328.500 3.729 20 0 EHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501145 1029487165 /nfs/dbraw/zinc/48/71/65/1029487165.db2.gz LKCXNRPDWBZKQG-YADHBBJMSA-N 2 1 348.490 3.724 20 0 EHADMP CCC(C)(C)c1ccc(CN2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000509685813 1029764313 /nfs/dbraw/zinc/76/43/13/1029764313.db2.gz PHUVWDVZVPYWEJ-UHFFFAOYSA-N 2 1 332.532 3.653 20 0 EHADMP CC(C)[NH+](CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508711411 1029783857 /nfs/dbraw/zinc/78/38/57/1029783857.db2.gz ASXUADNAIMNNJM-CTNGQTDRSA-N 2 1 331.548 3.605 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717344 1029798111 /nfs/dbraw/zinc/79/81/11/1029798111.db2.gz LOLOIOANCQULQB-ICSRJNTNSA-N 2 1 332.532 3.818 20 0 EHADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1O ZINC000080338284 1029814558 /nfs/dbraw/zinc/81/45/58/1029814558.db2.gz JYOMZCBMILJEMF-APWZRJJASA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1O ZINC000080338284 1029814566 /nfs/dbraw/zinc/81/45/66/1029814566.db2.gz JYOMZCBMILJEMF-APWZRJJASA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1O ZINC000080338284 1029814571 /nfs/dbraw/zinc/81/45/71/1029814571.db2.gz JYOMZCBMILJEMF-APWZRJJASA-N 2 1 340.467 3.544 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2COC)[C@H](C)C1 ZINC000508727223 1029835647 /nfs/dbraw/zinc/83/56/47/1029835647.db2.gz PBOKPVBYQLHPEF-LDQLGUEGSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2COC)[C@H](C)C1 ZINC000508727223 1029835653 /nfs/dbraw/zinc/83/56/53/1029835653.db2.gz PBOKPVBYQLHPEF-LDQLGUEGSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2COC)[C@H](C)C1 ZINC000508727223 1029835659 /nfs/dbraw/zinc/83/56/59/1029835659.db2.gz PBOKPVBYQLHPEF-LDQLGUEGSA-N 2 1 330.516 3.898 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000525484684 1029865577 /nfs/dbraw/zinc/86/55/77/1029865577.db2.gz KFPLOOFTCCJPEZ-OKZBNKHCSA-N 2 1 343.515 3.872 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000525484684 1029865582 /nfs/dbraw/zinc/86/55/82/1029865582.db2.gz KFPLOOFTCCJPEZ-OKZBNKHCSA-N 2 1 343.515 3.872 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000525484684 1029865589 /nfs/dbraw/zinc/86/55/89/1029865589.db2.gz KFPLOOFTCCJPEZ-OKZBNKHCSA-N 2 1 343.515 3.872 20 0 EHADMP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000481735937 1029895028 /nfs/dbraw/zinc/89/50/28/1029895028.db2.gz BEFBKUXQDAQRGB-ZFWWWQNUSA-N 2 1 325.294 3.638 20 0 EHADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCS1 ZINC000120432998 1029996761 /nfs/dbraw/zinc/99/67/61/1029996761.db2.gz JZUCLSDHGSRDRJ-LJQANCHMSA-N 2 1 336.520 3.708 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707651 1030003457 /nfs/dbraw/zinc/00/34/57/1030003457.db2.gz KHDZMSUYXQFBAT-IEZWGBDMSA-N 2 1 336.907 3.675 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707652 1030005779 /nfs/dbraw/zinc/00/57/79/1030005779.db2.gz KHDZMSUYXQFBAT-KVSKMBFKSA-N 2 1 336.907 3.675 20 0 EHADMP C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453276728 1030014777 /nfs/dbraw/zinc/01/47/77/1030014777.db2.gz MXXLEQLLEQGZGJ-FVTFTPSCSA-N 2 1 344.543 3.675 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525694118 1030038326 /nfs/dbraw/zinc/03/83/26/1030038326.db2.gz VYHNJMFNSKEJAJ-SQNIBIBYSA-N 2 1 335.561 3.595 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453323958 1030104836 /nfs/dbraw/zinc/10/48/36/1030104836.db2.gz KFSXCEVDNOIVIR-VSKRKVRLSA-N 2 1 335.495 3.923 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(C(C)(C)C)CC3)C2)CC1 ZINC000525779502 1030114827 /nfs/dbraw/zinc/11/48/27/1030114827.db2.gz XEDKHSSERNELIT-CBNMVNINSA-N 2 1 349.607 3.939 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1ccc(F)cc1 ZINC000453338382 1030121432 /nfs/dbraw/zinc/12/14/32/1030121432.db2.gz FWWXPEKVLWLPRE-ZEIDCXACSA-N 2 1 342.462 3.596 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1ccc(F)cc1 ZINC000453338382 1030121443 /nfs/dbraw/zinc/12/14/43/1030121443.db2.gz FWWXPEKVLWLPRE-ZEIDCXACSA-N 2 1 342.462 3.596 20 0 EHADMP Cc1cnccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771322 1030154618 /nfs/dbraw/zinc/15/46/18/1030154618.db2.gz BGCZWSHOPCJUEK-NRFANRHFSA-N 2 1 335.495 3.782 20 0 EHADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550797201 1030185879 /nfs/dbraw/zinc/18/58/79/1030185879.db2.gz OFYVRCIBELIXIP-UFYCRDLUSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550797201 1030185893 /nfs/dbraw/zinc/18/58/93/1030185893.db2.gz OFYVRCIBELIXIP-UFYCRDLUSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550797201 1030185903 /nfs/dbraw/zinc/18/59/03/1030185903.db2.gz OFYVRCIBELIXIP-UFYCRDLUSA-N 2 1 329.532 3.532 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000453406916 1030216380 /nfs/dbraw/zinc/21/63/80/1030216380.db2.gz DASSPAFTRYGPKW-YTFSRNRJSA-N 2 1 349.522 3.965 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C1CC1 ZINC000453405867 1030218779 /nfs/dbraw/zinc/21/87/79/1030218779.db2.gz QQAFSDRZXWJTBU-INIZCTEOSA-N 2 1 341.421 3.942 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000482159268 1030235120 /nfs/dbraw/zinc/23/51/20/1030235120.db2.gz VFSFBBGMBZHGJO-ICSRJNTNSA-N 2 1 345.531 3.732 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000453394798 1030244592 /nfs/dbraw/zinc/24/45/92/1030244592.db2.gz HDRRFMRRKOYMSP-QQFNCUIESA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000453394798 1030244597 /nfs/dbraw/zinc/24/45/97/1030244597.db2.gz HDRRFMRRKOYMSP-QQFNCUIESA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000453394798 1030244605 /nfs/dbraw/zinc/24/46/05/1030244605.db2.gz HDRRFMRRKOYMSP-QQFNCUIESA-N 3 1 341.543 3.646 20 0 EHADMP C[N@H+](CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000453394798 1030244618 /nfs/dbraw/zinc/24/46/18/1030244618.db2.gz HDRRFMRRKOYMSP-QQFNCUIESA-N 2 1 341.543 3.646 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000453394798 1030244627 /nfs/dbraw/zinc/24/46/27/1030244627.db2.gz HDRRFMRRKOYMSP-QQFNCUIESA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091281017 1030245119 /nfs/dbraw/zinc/24/51/19/1030245119.db2.gz XTHTXWSKHCDLCZ-KRWDZBQOSA-N 2 1 348.494 3.672 20 0 EHADMP C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091281017 1030245134 /nfs/dbraw/zinc/24/51/34/1030245134.db2.gz XTHTXWSKHCDLCZ-KRWDZBQOSA-N 2 1 348.494 3.672 20 0 EHADMP FC1(F)CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453422662 1030272688 /nfs/dbraw/zinc/27/26/88/1030272688.db2.gz MZLAGKJCHFCYPV-GBESFXJTSA-N 2 1 334.454 3.922 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447563658 1030307923 /nfs/dbraw/zinc/30/79/23/1030307923.db2.gz RIRZHRKEGWUYRJ-VXKWHMMOSA-N 2 1 343.559 3.734 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000121702021 1030349757 /nfs/dbraw/zinc/34/97/57/1030349757.db2.gz NOGOROSUIRDNBY-XLIONFOSSA-N 2 1 340.515 3.816 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000121702021 1030349772 /nfs/dbraw/zinc/34/97/72/1030349772.db2.gz NOGOROSUIRDNBY-XLIONFOSSA-N 2 1 340.515 3.816 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453596520 1030355782 /nfs/dbraw/zinc/35/57/82/1030355782.db2.gz LNTIUJQQDUNZPI-UHFFFAOYSA-N 2 1 331.287 3.966 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000129325749 1030426572 /nfs/dbraw/zinc/42/65/72/1030426572.db2.gz DIQCBAVMVVLVFK-CKEIUWERSA-N 2 1 344.421 3.584 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000092389216 1030444573 /nfs/dbraw/zinc/44/45/73/1030444573.db2.gz UCMLJPQVVVGXDB-HNNXBMFYSA-N 2 1 346.906 3.871 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187683 1030466966 /nfs/dbraw/zinc/46/69/66/1030466966.db2.gz XQCOCKWJGAXSFO-JKSUJKDBSA-N 2 1 349.569 3.757 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532198376 1030473742 /nfs/dbraw/zinc/47/37/42/1030473742.db2.gz YDWUCZIYTRERNG-INIZCTEOSA-N 2 1 343.515 3.877 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCCO2)CC3)cc1 ZINC000378301759 1030486590 /nfs/dbraw/zinc/48/65/90/1030486590.db2.gz PCKOXCYBBKMLEQ-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000532239380 1030505056 /nfs/dbraw/zinc/50/50/56/1030505056.db2.gz ITQXHWFDHMQAHN-CTNGQTDRSA-N 2 1 348.506 3.626 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482552745 1030521476 /nfs/dbraw/zinc/52/14/76/1030521476.db2.gz KCTPVGLHOVUSTC-NRFANRHFSA-N 2 1 344.543 3.878 20 0 EHADMP CCOC(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC000278389507 1030549088 /nfs/dbraw/zinc/54/90/88/1030549088.db2.gz DPHMDFLWTCEVCO-OWZKRDHZSA-N 2 1 346.515 3.561 20 0 EHADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1F)CC1CC[NH+](C)CC1 ZINC000093088677 1030559212 /nfs/dbraw/zinc/55/92/12/1030559212.db2.gz IXBLUVCVSCJCLT-UHFFFAOYSA-N 2 1 327.447 3.661 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CNc4ccccc4C2)C3)cc1 ZINC000650748964 1030588803 /nfs/dbraw/zinc/58/88/03/1030588803.db2.gz DEHRRYPMYIVRBH-MYGLTJDJSA-N 2 1 347.506 3.808 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccnn1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000447932200 1030609614 /nfs/dbraw/zinc/60/96/14/1030609614.db2.gz QEAZBKYTDLOCBF-IBGZPJMESA-N 2 1 348.494 3.873 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccnn1-c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000447932200 1030609625 /nfs/dbraw/zinc/60/96/25/1030609625.db2.gz QEAZBKYTDLOCBF-IBGZPJMESA-N 2 1 348.494 3.873 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563937 1030630866 /nfs/dbraw/zinc/63/08/66/1030630866.db2.gz VLHFNEJFZOABQS-IBGZPJMESA-N 2 1 342.462 3.666 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563937 1030630881 /nfs/dbraw/zinc/63/08/81/1030630881.db2.gz VLHFNEJFZOABQS-IBGZPJMESA-N 2 1 342.462 3.666 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000093638766 1030644904 /nfs/dbraw/zinc/64/49/04/1030644904.db2.gz YGDMCHNUPBECJQ-AEFFLSMTSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000093638766 1030644912 /nfs/dbraw/zinc/64/49/12/1030644912.db2.gz YGDMCHNUPBECJQ-AEFFLSMTSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@H](C)C1 ZINC000093638766 1030644917 /nfs/dbraw/zinc/64/49/17/1030644917.db2.gz YGDMCHNUPBECJQ-AEFFLSMTSA-N 2 1 334.504 3.645 20 0 EHADMP CSc1ccc([C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000550940186 1030811884 /nfs/dbraw/zinc/81/18/84/1030811884.db2.gz YQHMOSKWDXINKI-LJQANCHMSA-N 2 1 349.588 3.864 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc3c[nH]nc32)CC1)CC1CC1 ZINC000536141286 1030903117 /nfs/dbraw/zinc/90/31/17/1030903117.db2.gz PSUBEDBYLVIXDG-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000551087085 1031031097 /nfs/dbraw/zinc/03/10/97/1031031097.db2.gz MCSDLVXHCUXIEY-NJYVYQBISA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551087085 1031031112 /nfs/dbraw/zinc/03/11/12/1031031112.db2.gz MCSDLVXHCUXIEY-NJYVYQBISA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551087085 1031031123 /nfs/dbraw/zinc/03/11/23/1031031123.db2.gz MCSDLVXHCUXIEY-NJYVYQBISA-N 2 1 329.532 3.532 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000483280752 1031087216 /nfs/dbraw/zinc/08/72/16/1031087216.db2.gz QMCCOZMYWWUNCX-HXUWFJFHSA-N 2 1 328.500 3.783 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000483280752 1031087235 /nfs/dbraw/zinc/08/72/35/1031087235.db2.gz QMCCOZMYWWUNCX-HXUWFJFHSA-N 2 1 328.500 3.783 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000483423252 1031158548 /nfs/dbraw/zinc/15/85/48/1031158548.db2.gz SQEVRNVKBDPSGK-HSALFYBXSA-N 2 1 329.532 3.546 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483484069 1031192998 /nfs/dbraw/zinc/19/29/98/1031192998.db2.gz WQSSCIFDYASQDO-UNEWFSDZSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483484069 1031193007 /nfs/dbraw/zinc/19/30/07/1031193007.db2.gz WQSSCIFDYASQDO-UNEWFSDZSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483484069 1031193013 /nfs/dbraw/zinc/19/30/13/1031193013.db2.gz WQSSCIFDYASQDO-UNEWFSDZSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483484069 1031193018 /nfs/dbraw/zinc/19/30/18/1031193018.db2.gz WQSSCIFDYASQDO-UNEWFSDZSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732395 1031306982 /nfs/dbraw/zinc/30/69/82/1031306982.db2.gz QQVGYQXMHSGJFW-AXAPSJFSSA-N 2 1 328.378 3.645 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549340 1031335841 /nfs/dbraw/zinc/33/58/41/1031335841.db2.gz VQBAGFMWIMTFEO-NDXORKPFSA-N 2 1 342.458 3.502 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527851787 1031369769 /nfs/dbraw/zinc/36/97/69/1031369769.db2.gz BHFNKEHBRRNCQE-SECBINFHSA-N 2 1 344.203 3.583 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3c(OC)c2)CC1 ZINC000924789734 1031378116 /nfs/dbraw/zinc/37/81/16/1031378116.db2.gz ZQFYTWZMLQKJMJ-MRXNPFEDSA-N 2 1 342.483 3.610 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CCCO1 ZINC000527893282 1031386942 /nfs/dbraw/zinc/38/69/42/1031386942.db2.gz DKYFCLKJEGMUDN-ACJLOTCBSA-N 2 1 340.870 3.557 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CCCO1 ZINC000527893290 1031387201 /nfs/dbraw/zinc/38/72/01/1031387201.db2.gz DKYFCLKJEGMUDN-UGSOOPFHSA-N 2 1 340.870 3.557 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000527990934 1031548911 /nfs/dbraw/zinc/54/89/11/1031548911.db2.gz SKLCPHUJSXPHRI-KDXIVRHGSA-N 2 1 335.495 3.685 20 0 EHADMP C[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528010989 1031591747 /nfs/dbraw/zinc/59/17/47/1031591747.db2.gz KXJVHSNDMFWKMT-DWLFOUALSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010989 1031591753 /nfs/dbraw/zinc/59/17/53/1031591753.db2.gz KXJVHSNDMFWKMT-DWLFOUALSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010989 1031591760 /nfs/dbraw/zinc/59/17/60/1031591760.db2.gz KXJVHSNDMFWKMT-DWLFOUALSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010989 1031591765 /nfs/dbraw/zinc/59/17/65/1031591765.db2.gz KXJVHSNDMFWKMT-DWLFOUALSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010989 1031591772 /nfs/dbraw/zinc/59/17/72/1031591772.db2.gz KXJVHSNDMFWKMT-DWLFOUALSA-N 2 1 341.543 3.504 20 0 EHADMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)s2)cc1 ZINC000484486608 1031603813 /nfs/dbraw/zinc/60/38/13/1031603813.db2.gz CBOSWWCFGKOLAS-RDTXWAMCSA-N 2 1 330.497 3.854 20 0 EHADMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)s2)cc1 ZINC000484486608 1031603821 /nfs/dbraw/zinc/60/38/21/1031603821.db2.gz CBOSWWCFGKOLAS-RDTXWAMCSA-N 2 1 330.497 3.854 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073004 1031618820 /nfs/dbraw/zinc/61/88/20/1031618820.db2.gz CHRFQHGVUXLTJD-YLJYHZDGSA-N 2 1 348.494 3.657 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657824961 1031634214 /nfs/dbraw/zinc/63/42/14/1031634214.db2.gz XTPCROGVXPVXAX-INIZCTEOSA-N 2 1 343.284 3.969 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657826043 1031672678 /nfs/dbraw/zinc/67/26/78/1031672678.db2.gz QNFFGMXYQRXKGJ-OAHLLOKOSA-N 2 1 342.483 3.992 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC[N@@H+]1C ZINC000647321705 1031691014 /nfs/dbraw/zinc/69/10/14/1031691014.db2.gz GWGYWVSSEAGFAZ-SNPRPXQTSA-N 2 1 331.891 3.751 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC[N@H+]1C ZINC000647321705 1031691020 /nfs/dbraw/zinc/69/10/20/1031691020.db2.gz GWGYWVSSEAGFAZ-SNPRPXQTSA-N 2 1 331.891 3.751 20 0 EHADMP CCCOc1ccc(C[N@@H+](CCC)CC2CC[NH2+]CC2)cc1OC ZINC000178955579 1031724008 /nfs/dbraw/zinc/72/40/08/1031724008.db2.gz QKGUJORBWWDITB-UHFFFAOYSA-N 2 1 334.504 3.696 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376656 1032008033 /nfs/dbraw/zinc/00/80/33/1032008033.db2.gz WNUXHRUUUFODDM-KBRIMQKVSA-N 2 1 342.405 3.624 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376658 1032008307 /nfs/dbraw/zinc/00/83/07/1032008307.db2.gz WNUXHRUUUFODDM-XYPHTWIQSA-N 2 1 342.405 3.624 20 0 EHADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000584259464 1032022305 /nfs/dbraw/zinc/02/23/05/1032022305.db2.gz NYHWVNADBQVTCA-PZJWPPBQSA-N 2 1 343.559 3.703 20 0 EHADMP COCC(C)(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000426410380 1032031974 /nfs/dbraw/zinc/03/19/74/1032031974.db2.gz JAKFWTBBZPRMGL-UXHICEINSA-N 2 1 330.516 3.646 20 0 EHADMP CCn1c2ccccc2nc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652144 1032036445 /nfs/dbraw/zinc/03/64/45/1032036445.db2.gz SXMPBPKVQBSSPA-UHFFFAOYSA-N 2 1 328.504 3.608 20 0 EHADMP Cc1cccc(N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000459402525 1032042572 /nfs/dbraw/zinc/04/25/72/1032042572.db2.gz ADSOFOAJMVYONF-UHFFFAOYSA-N 2 1 329.875 3.845 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000685470888 1033375391 /nfs/dbraw/zinc/37/53/91/1033375391.db2.gz ZLHVUSLXGGXVNC-WDSOQIARSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000685470888 1033375411 /nfs/dbraw/zinc/37/54/11/1033375411.db2.gz ZLHVUSLXGGXVNC-WDSOQIARSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000685470888 1033375431 /nfs/dbraw/zinc/37/54/31/1033375431.db2.gz ZLHVUSLXGGXVNC-WDSOQIARSA-N 2 1 346.515 3.789 20 0 EHADMP Cc1ncccc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000898249741 1033407628 /nfs/dbraw/zinc/40/76/28/1033407628.db2.gz DLEDDKFNGTTYLH-BVSLBCMMSA-N 2 1 335.495 3.575 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1 ZINC000191614193 1033457474 /nfs/dbraw/zinc/45/74/74/1033457474.db2.gz SRKJXXNXPAHTHB-LAUBAEHRSA-N 2 1 349.478 3.743 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708584870 1033574264 /nfs/dbraw/zinc/57/42/64/1033574264.db2.gz FHJRUDGNZLZZNZ-BVOGOJNSSA-N 2 1 342.527 3.692 20 0 EHADMP Clc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000655765126 1033639397 /nfs/dbraw/zinc/63/93/97/1033639397.db2.gz ZDTKUQLHWJSFQS-VDGAXYAQSA-N 2 1 348.918 3.819 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657919978 1033650710 /nfs/dbraw/zinc/65/07/10/1033650710.db2.gz SPMNKPPRSXGFOJ-ZNMIVQPWSA-N 2 1 341.446 3.559 20 0 EHADMP C[C@H](CSCCF)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000595033775 1033656072 /nfs/dbraw/zinc/65/60/72/1033656072.db2.gz CUBPOTLVLUVVQQ-AOIWGVFYSA-N 2 1 338.536 3.968 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107370355 1033660506 /nfs/dbraw/zinc/66/05/06/1033660506.db2.gz DISFIJJQMQRLRQ-RXVVDRJESA-N 2 1 343.559 3.757 20 0 EHADMP CC(C)[C@@H]1C[NH+](CCCC[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577915 1033774453 /nfs/dbraw/zinc/77/44/53/1033774453.db2.gz UXVLSSZCABWIBI-HDICACEKSA-N 2 1 344.634 3.913 20 0 EHADMP CC(C)[C@@H]1C[N@H+](CCCC[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577915 1033774466 /nfs/dbraw/zinc/77/44/66/1033774466.db2.gz UXVLSSZCABWIBI-HDICACEKSA-N 2 1 344.634 3.913 20 0 EHADMP CC(C)[C@@H]1C[N@@H+](CCCC[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577915 1033774481 /nfs/dbraw/zinc/77/44/81/1033774481.db2.gz UXVLSSZCABWIBI-HDICACEKSA-N 2 1 344.634 3.913 20 0 EHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550644644 1033807538 /nfs/dbraw/zinc/80/75/38/1033807538.db2.gz WMSCCXJJWSHIKZ-JYRKZWEQSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550644644 1033807553 /nfs/dbraw/zinc/80/75/53/1033807553.db2.gz WMSCCXJJWSHIKZ-JYRKZWEQSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550644644 1033807569 /nfs/dbraw/zinc/80/75/69/1033807569.db2.gz WMSCCXJJWSHIKZ-JYRKZWEQSA-N 2 1 329.532 3.674 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000108429004 1033814834 /nfs/dbraw/zinc/81/48/34/1033814834.db2.gz HAVJXAFKFZRYAV-GFCCVEGCSA-N 2 1 341.282 3.701 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)[C@@H]1c1cccs1 ZINC000548858197 1033887730 /nfs/dbraw/zinc/88/77/30/1033887730.db2.gz WVKLYXCYRQJQBA-KBAYOESNSA-N 2 1 334.529 3.680 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)[C@@H]1c1cccs1 ZINC000548858197 1033887744 /nfs/dbraw/zinc/88/77/44/1033887744.db2.gz WVKLYXCYRQJQBA-KBAYOESNSA-N 2 1 334.529 3.680 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091710 1033921478 /nfs/dbraw/zinc/92/14/78/1033921478.db2.gz NKJKWOWJVUNDLX-IOMROCGXSA-N 2 1 330.516 3.692 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001168318750 1033996893 /nfs/dbraw/zinc/99/68/93/1033996893.db2.gz FGJIJZSCVDNPES-UHFFFAOYSA-N 2 1 337.305 3.680 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658138636 1034001231 /nfs/dbraw/zinc/00/12/31/1034001231.db2.gz JOFNXWHAEREJON-VGSWGCGISA-N 2 1 338.495 3.666 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2CCC([NH+](C)C)CC2)n1 ZINC001168327405 1034167060 /nfs/dbraw/zinc/16/70/60/1034167060.db2.gz MQXBSNOIYDTOIT-IPJUCJBFSA-N 2 1 326.488 3.779 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1)C(C)C ZINC000456160191 1034176287 /nfs/dbraw/zinc/17/62/87/1034176287.db2.gz BFRIRXWXCAXACC-UHFFFAOYSA-N 2 1 347.547 3.767 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC001168327865 1034180635 /nfs/dbraw/zinc/18/06/35/1034180635.db2.gz RPKLKDOFXABCNO-UHFFFAOYSA-N 2 1 326.406 3.936 20 0 EHADMP Cc1sc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000227805892 1034275138 /nfs/dbraw/zinc/27/51/38/1034275138.db2.gz QDGSIZNSGWMRDX-UHFFFAOYSA-N 2 1 329.307 3.535 20 0 EHADMP COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000450604842 1034556662 /nfs/dbraw/zinc/55/66/62/1034556662.db2.gz XUSXZJBIFXUIKI-YJBOKZPZSA-N 2 1 334.891 3.797 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cc1 ZINC000450676816 1034704772 /nfs/dbraw/zinc/70/47/72/1034704772.db2.gz FUJCRAPEEMYHAX-JLHGSKIFSA-N 2 1 349.478 3.996 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H](C)C1 ZINC000450763602 1034758058 /nfs/dbraw/zinc/75/80/58/1034758058.db2.gz UGXADPFBIMAVJK-QBSVUQLASA-N 2 1 330.516 3.817 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CCCC4)C2)cc1 ZINC000390646635 1034823394 /nfs/dbraw/zinc/82/33/94/1034823394.db2.gz MIZHMPCYUSFWMT-RTWAWAEBSA-N 2 1 342.527 3.980 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CCCC4)C2)cc1 ZINC000390646635 1034823407 /nfs/dbraw/zinc/82/34/07/1034823407.db2.gz MIZHMPCYUSFWMT-RTWAWAEBSA-N 2 1 342.527 3.980 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480608 1034918023 /nfs/dbraw/zinc/91/80/23/1034918023.db2.gz USAOYYCHDHCCIP-TZIWHRDSSA-N 2 1 339.458 3.852 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480608 1034918034 /nfs/dbraw/zinc/91/80/34/1034918034.db2.gz USAOYYCHDHCCIP-TZIWHRDSSA-N 2 1 339.458 3.852 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000279710703 1034956282 /nfs/dbraw/zinc/95/62/82/1034956282.db2.gz KQZGZWBDMYVFOG-UHFFFAOYSA-N 2 1 335.289 3.547 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000548931899 1034962836 /nfs/dbraw/zinc/96/28/36/1034962836.db2.gz GRAHLBZCZIAGSG-UXHICEINSA-N 2 1 330.516 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000548931899 1034962846 /nfs/dbraw/zinc/96/28/46/1034962846.db2.gz GRAHLBZCZIAGSG-UXHICEINSA-N 2 1 330.516 3.836 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000414057187 1035417075 /nfs/dbraw/zinc/41/70/75/1035417075.db2.gz FNULBGZJEFJOIK-QGZVFWFLSA-N 2 1 341.499 3.651 20 0 EHADMP COc1cccc(C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc2)c1 ZINC000540606590 1035496891 /nfs/dbraw/zinc/49/68/91/1035496891.db2.gz IXWBTMVGXNHVAN-QFIPXVFZSA-N 2 1 336.479 3.831 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@@H](CNC3(c4ccccc4)CC3)C2)cc1 ZINC000571540905 1035549965 /nfs/dbraw/zinc/54/99/65/1035549965.db2.gz VXXJUYAKZFCPQP-NRFANRHFSA-N 2 1 336.479 3.556 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@@H](CNC3(c4ccccc4)CC3)C2)cc1 ZINC000571540905 1035549985 /nfs/dbraw/zinc/54/99/85/1035549985.db2.gz VXXJUYAKZFCPQP-NRFANRHFSA-N 2 1 336.479 3.556 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000540660747 1035552219 /nfs/dbraw/zinc/55/22/19/1035552219.db2.gz WTALFPYDQZQHKN-UZLBHIALSA-N 2 1 342.527 3.987 20 0 EHADMP CCSc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000186220015 1035606759 /nfs/dbraw/zinc/60/67/59/1035606759.db2.gz ZDJKCNHVUIVGKP-UHFFFAOYSA-N 2 1 329.513 3.987 20 0 EHADMP C(OC1CC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2)C1CC1 ZINC001168380883 1035643749 /nfs/dbraw/zinc/64/37/49/1035643749.db2.gz VDBKMOUROGVXQC-UHFFFAOYSA-N 2 1 332.532 3.532 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000534869796 1035697091 /nfs/dbraw/zinc/69/70/91/1035697091.db2.gz LIUOHXWMLUWOBM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000534869796 1035697094 /nfs/dbraw/zinc/69/70/94/1035697094.db2.gz LIUOHXWMLUWOBM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000534869796 1035697095 /nfs/dbraw/zinc/69/70/95/1035697095.db2.gz LIUOHXWMLUWOBM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000534869796 1035697097 /nfs/dbraw/zinc/69/70/97/1035697097.db2.gz LIUOHXWMLUWOBM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000397291177 1035707309 /nfs/dbraw/zinc/70/73/09/1035707309.db2.gz AFNGXIHKCFQTKE-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000397291177 1035707325 /nfs/dbraw/zinc/70/73/25/1035707325.db2.gz AFNGXIHKCFQTKE-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152361522 1035760483 /nfs/dbraw/zinc/76/04/83/1035760483.db2.gz HUPQJOHQPJXQHS-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152361522 1035760495 /nfs/dbraw/zinc/76/04/95/1035760495.db2.gz HUPQJOHQPJXQHS-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152361522 1035760506 /nfs/dbraw/zinc/76/05/06/1035760506.db2.gz HUPQJOHQPJXQHS-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152361522 1035760518 /nfs/dbraw/zinc/76/05/18/1035760518.db2.gz HUPQJOHQPJXQHS-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187281694 1035803913 /nfs/dbraw/zinc/80/39/13/1035803913.db2.gz JKMGCKXITHJBME-PMACEKPBSA-N 2 1 339.483 3.720 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000282472010 1035809923 /nfs/dbraw/zinc/80/99/23/1035809923.db2.gz KUGACSLPGOCOQK-NRFANRHFSA-N 2 1 338.495 3.569 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000282472010 1035809944 /nfs/dbraw/zinc/80/99/44/1035809944.db2.gz KUGACSLPGOCOQK-NRFANRHFSA-N 2 1 338.495 3.569 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000414197542 1036007840 /nfs/dbraw/zinc/00/78/40/1036007840.db2.gz WPAIDVUKRLDJCR-STQMWFEESA-N 2 1 330.394 3.810 20 0 EHADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000572378033 1036089747 /nfs/dbraw/zinc/08/97/47/1036089747.db2.gz VOEKMPHAVCXYMM-GOSISDBHSA-N 2 1 348.494 3.958 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(C)(O)CC1 ZINC000892580488 1036284120 /nfs/dbraw/zinc/28/41/20/1036284120.db2.gz KTCILSUCTCEWFP-RPCJCACASA-N 2 1 330.516 3.844 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)cc1 ZINC000191060671 1036333764 /nfs/dbraw/zinc/33/37/64/1036333764.db2.gz WLYHQDGKPWUSOW-QRWLVFNGSA-N 2 1 327.472 3.773 20 0 EHADMP CCC[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000191199679 1036343914 /nfs/dbraw/zinc/34/39/14/1036343914.db2.gz RVAYJCPIYXYTDY-PMACEKPBSA-N 2 1 344.524 3.598 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526976 1036402239 /nfs/dbraw/zinc/40/22/39/1036402239.db2.gz RKVOWYANESTZTL-HIFRSBDPSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526976 1036402254 /nfs/dbraw/zinc/40/22/54/1036402254.db2.gz RKVOWYANESTZTL-HIFRSBDPSA-N 2 1 344.833 3.858 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526976 1036402269 /nfs/dbraw/zinc/40/22/69/1036402269.db2.gz RKVOWYANESTZTL-HIFRSBDPSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526976 1036402277 /nfs/dbraw/zinc/40/22/77/1036402277.db2.gz RKVOWYANESTZTL-HIFRSBDPSA-N 2 1 344.833 3.858 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000572526976 1036402285 /nfs/dbraw/zinc/40/22/85/1036402285.db2.gz RKVOWYANESTZTL-HIFRSBDPSA-N 2 1 344.833 3.858 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000414283856 1036435784 /nfs/dbraw/zinc/43/57/84/1036435784.db2.gz JVRBAJZRUMZXFO-QGZVFWFLSA-N 2 1 338.499 3.561 20 0 EHADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122339286 1036767041 /nfs/dbraw/zinc/76/70/41/1036767041.db2.gz ZPSJXBIFCPIVEL-KCXAZCMYSA-N 2 1 325.294 3.959 20 0 EHADMP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122339286 1036767053 /nfs/dbraw/zinc/76/70/53/1036767053.db2.gz ZPSJXBIFCPIVEL-KCXAZCMYSA-N 2 1 325.294 3.959 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000177051438 1036758636 /nfs/dbraw/zinc/75/86/36/1036758636.db2.gz ZIHYSWBQASEMNO-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000177051438 1036758672 /nfs/dbraw/zinc/75/86/72/1036758672.db2.gz ZIHYSWBQASEMNO-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000464772704 1036793525 /nfs/dbraw/zinc/79/35/25/1036793525.db2.gz GAGGCOZTQNFHBJ-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000464772704 1036793547 /nfs/dbraw/zinc/79/35/47/1036793547.db2.gz GAGGCOZTQNFHBJ-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP Cc1cccc(OCC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464837636 1036850047 /nfs/dbraw/zinc/85/00/47/1036850047.db2.gz MARYAIQAMKCUHZ-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1cccc(OCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464837636 1036850075 /nfs/dbraw/zinc/85/00/75/1036850075.db2.gz MARYAIQAMKCUHZ-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1cccc(OCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464837636 1036850099 /nfs/dbraw/zinc/85/00/99/1036850099.db2.gz MARYAIQAMKCUHZ-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310867243 1036918536 /nfs/dbraw/zinc/91/85/36/1036918536.db2.gz SPOJPQXMTKHHLC-AEFFLSMTSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310867243 1036918555 /nfs/dbraw/zinc/91/85/55/1036918555.db2.gz SPOJPQXMTKHHLC-AEFFLSMTSA-N 2 1 342.458 3.835 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc([S@](C)=O)cc3)CC2)C1 ZINC000090221549 1036952678 /nfs/dbraw/zinc/95/26/78/1036952678.db2.gz GLPHUHCXUXFYGV-SWWFSWNPSA-N 2 1 348.556 3.557 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000539625566 1037000160 /nfs/dbraw/zinc/00/01/60/1037000160.db2.gz LJJSZIVRPPFZJJ-UHFFFAOYSA-N 2 1 337.305 3.902 20 0 EHADMP CS[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](SC)C2)C1 ZINC000590749973 1037025298 /nfs/dbraw/zinc/02/52/98/1037025298.db2.gz IWEBDGYPIDSRCD-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CS[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](SC)C2)C1 ZINC000590749973 1037025312 /nfs/dbraw/zinc/02/53/12/1037025312.db2.gz IWEBDGYPIDSRCD-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CS[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](SC)C2)C1 ZINC000590749973 1037025334 /nfs/dbraw/zinc/02/53/34/1037025334.db2.gz IWEBDGYPIDSRCD-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)C[NH+]1CCCC1 ZINC000311730493 1037031385 /nfs/dbraw/zinc/03/13/85/1037031385.db2.gz QHJFDJMYZYNEPU-WCQYABFASA-N 2 1 343.334 3.819 20 0 EHADMP CC(C)n1ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000178390073 1037032257 /nfs/dbraw/zinc/03/22/57/1037032257.db2.gz FRWILVXMIGVIAL-GOSISDBHSA-N 2 1 332.536 3.941 20 0 EHADMP CC(C)n1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000178390073 1037032268 /nfs/dbraw/zinc/03/22/68/1037032268.db2.gz FRWILVXMIGVIAL-GOSISDBHSA-N 2 1 332.536 3.941 20 0 EHADMP CC(C)n1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000178390073 1037032283 /nfs/dbraw/zinc/03/22/83/1037032283.db2.gz FRWILVXMIGVIAL-GOSISDBHSA-N 2 1 332.536 3.941 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000590787286 1037049887 /nfs/dbraw/zinc/04/98/87/1037049887.db2.gz YKXVJVLUGTYTRT-MRXNPFEDSA-N 2 1 349.494 3.513 20 0 EHADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)nc1 ZINC000647543341 1037091714 /nfs/dbraw/zinc/09/17/14/1037091714.db2.gz LNOJVJLOZLZZSU-LEWJYISDSA-N 2 1 335.495 3.960 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442184 1037294379 /nfs/dbraw/zinc/29/43/79/1037294379.db2.gz FVSNMRFFLGXPRL-HOTGVXAUSA-N 2 1 349.569 3.757 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462783357 1037387338 /nfs/dbraw/zinc/38/73/38/1037387338.db2.gz NBYGHYFYUVSDMV-UHFFFAOYSA-N 2 1 343.559 3.852 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)Cc1ccccc1 ZINC000462796666 1037411064 /nfs/dbraw/zinc/41/10/64/1037411064.db2.gz USGKMUWTHCBOQH-NJDAHSKKSA-N 2 1 330.516 3.693 20 0 EHADMP c1ccc([C@@H](CC2CC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000532485006 1037524905 /nfs/dbraw/zinc/52/49/05/1037524905.db2.gz YYWFVUHIERZOPY-HXUWFJFHSA-N 2 1 328.500 3.762 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccn1 ZINC000532508863 1037535210 /nfs/dbraw/zinc/53/52/10/1037535210.db2.gz PATQVCXXTJTSKR-VUHPKUFZSA-N 2 1 333.520 3.713 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccn1 ZINC000532508863 1037535228 /nfs/dbraw/zinc/53/52/28/1037535228.db2.gz PATQVCXXTJTSKR-VUHPKUFZSA-N 2 1 333.520 3.713 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000532508861 1037535877 /nfs/dbraw/zinc/53/58/77/1037535877.db2.gz PATQVCXXTJTSKR-LSTDLKDCSA-N 2 1 333.520 3.713 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000532508861 1037535890 /nfs/dbraw/zinc/53/58/90/1037535890.db2.gz PATQVCXXTJTSKR-LSTDLKDCSA-N 2 1 333.520 3.713 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000462957217 1037581619 /nfs/dbraw/zinc/58/16/19/1037581619.db2.gz LNBFFXMRMRBTAW-LPHOPBHVSA-N 2 1 331.504 3.509 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000462957217 1037581636 /nfs/dbraw/zinc/58/16/36/1037581636.db2.gz LNBFFXMRMRBTAW-LPHOPBHVSA-N 2 1 331.504 3.509 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140992 1037595361 /nfs/dbraw/zinc/59/53/61/1037595361.db2.gz VBUIAJCUQGUKFJ-ABSDTBQOSA-N 2 1 340.515 3.680 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463113390 1037766474 /nfs/dbraw/zinc/76/64/74/1037766474.db2.gz CEDSUXXZDWOKIX-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463113390 1037766483 /nfs/dbraw/zinc/76/64/83/1037766483.db2.gz CEDSUXXZDWOKIX-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000463119592 1037785208 /nfs/dbraw/zinc/78/52/08/1037785208.db2.gz PJPLGISGYCYQMQ-TUNNFDKTSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000463136876 1037799990 /nfs/dbraw/zinc/79/99/90/1037799990.db2.gz HTAQXIUKMMIWCO-HLAWJBBLSA-N 2 1 331.548 3.605 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccccc3F)CC2)cc1 ZINC000463137502 1037801509 /nfs/dbraw/zinc/80/15/09/1037801509.db2.gz RHQGTXPVRTVBNL-UHFFFAOYSA-N 2 1 344.449 3.804 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccccc3)cc2)CC1 ZINC000173327120 1038035001 /nfs/dbraw/zinc/03/50/01/1038035001.db2.gz PVTRDIRFMRJBRC-IBGZPJMESA-N 2 1 337.511 3.675 20 0 EHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000173387994 1038067633 /nfs/dbraw/zinc/06/76/33/1038067633.db2.gz OQFBECUHJIOVMP-IBGZPJMESA-N 2 1 337.939 3.654 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125057573 1038274720 /nfs/dbraw/zinc/27/47/20/1038274720.db2.gz ATWAZKKFLAJQSE-GHTZIAJQSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000125057573 1038274732 /nfs/dbraw/zinc/27/47/32/1038274732.db2.gz ATWAZKKFLAJQSE-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000125057573 1038274746 /nfs/dbraw/zinc/27/47/46/1038274746.db2.gz ATWAZKKFLAJQSE-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125057573 1038274756 /nfs/dbraw/zinc/27/47/56/1038274756.db2.gz ATWAZKKFLAJQSE-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000125431257 1038326411 /nfs/dbraw/zinc/32/64/11/1038326411.db2.gz LTKIQCWPFFXXOW-IBGZPJMESA-N 2 1 343.471 3.826 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000125431257 1038326417 /nfs/dbraw/zinc/32/64/17/1038326417.db2.gz LTKIQCWPFFXXOW-IBGZPJMESA-N 2 1 343.471 3.826 20 0 EHADMP C[N@@H+](CCN1CC[NH+]([C@@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549425363 1038545652 /nfs/dbraw/zinc/54/56/52/1038545652.db2.gz JFCWDBGAVFHJLS-JOCHJYFZSA-N 2 1 341.543 3.625 20 0 EHADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000539042046 1038649123 /nfs/dbraw/zinc/64/91/23/1038649123.db2.gz BVPGONAFUHEOKC-BJLQDIEVSA-N 2 1 340.515 3.854 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090794 1038678804 /nfs/dbraw/zinc/67/88/04/1038678804.db2.gz NLDCUCHEGLICLH-UWJYYQICSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090794 1038678807 /nfs/dbraw/zinc/67/88/07/1038678807.db2.gz NLDCUCHEGLICLH-UWJYYQICSA-N 2 1 342.458 3.705 20 0 EHADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000552043773 1038907739 /nfs/dbraw/zinc/90/77/39/1038907739.db2.gz BFQCTQVSEWXXNM-RXVVDRJESA-N 2 1 332.532 3.773 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(OCC2CC2)c1 ZINC000552044291 1038911057 /nfs/dbraw/zinc/91/10/57/1038911057.db2.gz ZHRGQPZJVZJTKC-VAMGGRTRSA-N 2 1 328.500 3.746 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@H]2CCC[C@H]21 ZINC000552047279 1038913088 /nfs/dbraw/zinc/91/30/88/1038913088.db2.gz GLAOCFQGUOJDMG-HSALFYBXSA-N 2 1 343.515 3.756 20 0 EHADMP CCCn1nccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000667590156 1039010743 /nfs/dbraw/zinc/01/07/43/1039010743.db2.gz NIDPHCCYYANMTO-UHFFFAOYSA-N 2 1 340.515 3.637 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000429817884 1039019443 /nfs/dbraw/zinc/01/94/43/1039019443.db2.gz OLYAYVFPYHZALW-PXNSSMCTSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000429817884 1039019462 /nfs/dbraw/zinc/01/94/62/1039019462.db2.gz OLYAYVFPYHZALW-PXNSSMCTSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000429817884 1039019480 /nfs/dbraw/zinc/01/94/80/1039019480.db2.gz OLYAYVFPYHZALW-PXNSSMCTSA-N 2 1 326.484 3.881 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477923305 1039030929 /nfs/dbraw/zinc/03/09/29/1039030929.db2.gz UONXQHDUEZUSQG-FPOVZHCZSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923305 1039030953 /nfs/dbraw/zinc/03/09/53/1039030953.db2.gz UONXQHDUEZUSQG-FPOVZHCZSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923305 1039030973 /nfs/dbraw/zinc/03/09/73/1039030973.db2.gz UONXQHDUEZUSQG-FPOVZHCZSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923305 1039030992 /nfs/dbraw/zinc/03/09/92/1039030992.db2.gz UONXQHDUEZUSQG-FPOVZHCZSA-N 2 1 343.559 3.609 20 0 EHADMP c1csc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC001168360422 1039077399 /nfs/dbraw/zinc/07/73/99/1039077399.db2.gz PNMXBVKOKDXOTI-UHFFFAOYSA-N 2 1 327.497 3.774 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282538399 1039137196 /nfs/dbraw/zinc/13/71/96/1039137196.db2.gz WDZUWKHQNQMYTD-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP COCCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000552322141 1039174608 /nfs/dbraw/zinc/17/46/08/1039174608.db2.gz DWGDZOKYFZACLM-SUMDDJOVSA-N 2 1 338.923 3.780 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438337 1039182288 /nfs/dbraw/zinc/18/22/88/1039182288.db2.gz YBLCBUCJLNYHPA-AHRSYUTCSA-N 2 1 348.556 3.527 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438337 1039182297 /nfs/dbraw/zinc/18/22/97/1039182297.db2.gz YBLCBUCJLNYHPA-AHRSYUTCSA-N 2 1 348.556 3.527 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C[C@H]4CCC=CO4)CC[C@@H]3C2)cc1 ZINC000898518700 1039188900 /nfs/dbraw/zinc/18/89/00/1039188900.db2.gz JMSROPIHXFTHHA-PLACYPQZSA-N 2 1 326.484 3.569 20 0 EHADMP Fc1cnccc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519233 1039189988 /nfs/dbraw/zinc/18/99/88/1039189988.db2.gz NXVKOEVROYRIGU-AABGKKOBSA-N 2 1 339.458 3.611 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660115198 1039193338 /nfs/dbraw/zinc/19/33/38/1039193338.db2.gz MKFFLEORPRQEOD-KXBFYZLASA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115198 1039193349 /nfs/dbraw/zinc/19/33/49/1039193349.db2.gz MKFFLEORPRQEOD-KXBFYZLASA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000660115198 1039193352 /nfs/dbraw/zinc/19/33/52/1039193352.db2.gz MKFFLEORPRQEOD-KXBFYZLASA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4cnccc43)CC2)cc1 ZINC000236740633 1039249265 /nfs/dbraw/zinc/24/92/65/1039249265.db2.gz CSKPICRODCZQNM-UHFFFAOYSA-N 2 1 331.463 3.989 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000236829550 1039263359 /nfs/dbraw/zinc/26/33/59/1039263359.db2.gz BCRHNKWENUJORW-SJORKVTESA-N 2 1 340.471 3.511 20 0 EHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000480176504 1039265019 /nfs/dbraw/zinc/26/50/19/1039265019.db2.gz FETYNZBSCNOMDB-OMZCVMJRSA-N 2 1 330.516 3.546 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)CC[N@H+]1C ZINC000480218166 1039317824 /nfs/dbraw/zinc/31/78/24/1039317824.db2.gz NVNDOIPRVRIONW-PGRDOPGGSA-N 2 1 349.522 3.822 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488709276 1039350130 /nfs/dbraw/zinc/35/01/30/1039350130.db2.gz BMJZNSHTGOGEAF-AWEZNQCLSA-N 2 1 343.446 3.693 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCc3oc(C)nc32)c1 ZINC000924706776 1039461018 /nfs/dbraw/zinc/46/10/18/1039461018.db2.gz JPEOVUZYQIZCIF-SFHVURJKSA-N 2 1 327.472 3.992 20 0 EHADMP C[N@@H+](CCCCOc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000478546181 1039516389 /nfs/dbraw/zinc/51/63/89/1039516389.db2.gz DAIVBGJRRFJSSJ-HNNXBMFYSA-N 2 1 344.421 3.938 20 0 EHADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000478556785 1039535140 /nfs/dbraw/zinc/53/51/40/1039535140.db2.gz YVUUYWSXBVVFND-INIZCTEOSA-N 2 1 344.421 3.938 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000552922972 1039641270 /nfs/dbraw/zinc/64/12/70/1039641270.db2.gz CLYIBMJDGNRQNA-FVTFTPSCSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000552922972 1039641283 /nfs/dbraw/zinc/64/12/83/1039641283.db2.gz CLYIBMJDGNRQNA-FVTFTPSCSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000480609812 1039749751 /nfs/dbraw/zinc/74/97/51/1039749751.db2.gz KETWYJLHZXGBQB-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000480609812 1039749765 /nfs/dbraw/zinc/74/97/65/1039749765.db2.gz KETWYJLHZXGBQB-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000480609812 1039749785 /nfs/dbraw/zinc/74/97/85/1039749785.db2.gz KETWYJLHZXGBQB-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245989881 1039777344 /nfs/dbraw/zinc/77/73/44/1039777344.db2.gz QPTWHCBPUFAZSE-HZPDHXFCSA-N 2 1 326.488 3.943 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000554842256 1039796425 /nfs/dbraw/zinc/79/64/25/1039796425.db2.gz UKCZISUMEWAVCT-NHCUHLMSSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000554842256 1039796443 /nfs/dbraw/zinc/79/64/43/1039796443.db2.gz UKCZISUMEWAVCT-NHCUHLMSSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OCC2CC2)c(F)c1 ZINC000584789001 1039856034 /nfs/dbraw/zinc/85/60/34/1039856034.db2.gz SYILDZHRWHOSJW-AWEZNQCLSA-N 2 1 331.435 3.631 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000554881851 1039901308 /nfs/dbraw/zinc/90/13/08/1039901308.db2.gz FOLHEZQXQWLUOX-QZTJIDSGSA-N 2 1 345.531 3.847 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489611562 1040105783 /nfs/dbraw/zinc/10/57/83/1040105783.db2.gz PUILKFUQNSADGX-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP CN(CCOc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512562419 1040129217 /nfs/dbraw/zinc/12/92/17/1040129217.db2.gz VMMSXMOAUGISDN-PBWFPOADSA-N 2 1 343.298 3.929 20 0 EHADMP C[N@H+](CCOc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512562419 1040129224 /nfs/dbraw/zinc/12/92/24/1040129224.db2.gz VMMSXMOAUGISDN-PBWFPOADSA-N 2 1 343.298 3.929 20 0 EHADMP C[N@@H+](CCOc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512562419 1040129233 /nfs/dbraw/zinc/12/92/33/1040129233.db2.gz VMMSXMOAUGISDN-PBWFPOADSA-N 2 1 343.298 3.929 20 0 EHADMP C[C@@H]1CC2(CC([NH2+]CC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC000925615560 1040129714 /nfs/dbraw/zinc/12/97/14/1040129714.db2.gz OLAZUSAIWJLEBP-OWBWZAQCSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)(C[NH2+]Cc1ccc(OC(F)F)c(F)c1)C[NH+]1CCCC1 ZINC000480925725 1040179083 /nfs/dbraw/zinc/17/90/83/1040179083.db2.gz JYAOHWBKNUXSRI-UHFFFAOYSA-N 2 1 330.394 3.639 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000481025632 1040285353 /nfs/dbraw/zinc/28/53/53/1040285353.db2.gz QUABVFDDYWWQQB-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1 ZINC000246491654 1040344655 /nfs/dbraw/zinc/34/46/55/1040344655.db2.gz AAEHQFKWKXZATJ-FGTMMUONSA-N 2 1 339.483 3.542 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000512637450 1040361750 /nfs/dbraw/zinc/36/17/50/1040361750.db2.gz VYNKRZDHQPILDE-FDFHNCONSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1ccc2ncc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)n2c1 ZINC000479599537 1040417383 /nfs/dbraw/zinc/41/73/83/1040417383.db2.gz OCHPGTGBECHXQG-UHFFFAOYSA-N 2 1 328.504 3.777 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000569591491 1040521153 /nfs/dbraw/zinc/52/11/53/1040521153.db2.gz BXSDICMIRUCHCF-ZDUSSCGKSA-N 2 1 340.309 3.615 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3cc(-c4ccccc4Cl)on3)CC[C@H]21 ZINC000419226753 1040527854 /nfs/dbraw/zinc/52/78/54/1040527854.db2.gz DUORXZDCOVMOLI-KBXCAEBGSA-N 2 1 345.874 3.911 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC[C@@H]4CCCCO4)C3)CC2)cc1 ZINC000433119250 1040780501 /nfs/dbraw/zinc/78/05/01/1040780501.db2.gz FMNNHXJHZAZIII-NRFANRHFSA-N 2 1 342.527 3.934 20 0 EHADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924873091 1040846259 /nfs/dbraw/zinc/84/62/59/1040846259.db2.gz JSLOHMUPIRUESP-ZHALLVOQSA-N 2 1 338.561 3.879 20 0 EHADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924873091 1040846268 /nfs/dbraw/zinc/84/62/68/1040846268.db2.gz JSLOHMUPIRUESP-ZHALLVOQSA-N 2 1 338.561 3.879 20 0 EHADMP Cc1noc(C)c1[C@H](C)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924874108 1040882949 /nfs/dbraw/zinc/88/29/49/1040882949.db2.gz OFYPHHIGHKOTPP-XJKSGUPXSA-N 2 1 333.501 3.916 20 0 EHADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000924874108 1040882963 /nfs/dbraw/zinc/88/29/63/1040882963.db2.gz OFYPHHIGHKOTPP-XJKSGUPXSA-N 2 1 333.501 3.916 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000668785736 1041013665 /nfs/dbraw/zinc/01/36/65/1041013665.db2.gz WGLDLNRCPWIFNX-NJYVYQBISA-N 2 1 330.516 3.539 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)CC[N@H+]1C ZINC000481583383 1041115645 /nfs/dbraw/zinc/11/56/45/1041115645.db2.gz QRFOFLXLJKUYHK-AEFFLSMTSA-N 2 1 344.499 3.690 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000570944512 1041123353 /nfs/dbraw/zinc/12/33/53/1041123353.db2.gz QGNKCSWAYHQSAL-GHTZIAJQSA-N 2 1 342.527 3.967 20 0 EHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cccc(Cl)c1 ZINC000052005473 1041212021 /nfs/dbraw/zinc/21/20/21/1041212021.db2.gz KJIVDHBCRYYRNW-UHFFFAOYSA-N 2 1 349.906 3.619 20 0 EHADMP Clc1ccccc1CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000364438879 1041299787 /nfs/dbraw/zinc/29/97/87/1041299787.db2.gz CRRBGXGIHNGBJV-OALUTQOASA-N 2 1 347.934 3.521 20 0 EHADMP Cc1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000390725067 1041387291 /nfs/dbraw/zinc/38/72/91/1041387291.db2.gz LFUSVKZCBHZNHW-QFIPXVFZSA-N 2 1 338.495 3.684 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2ccccc2)CC1 ZINC000000019740 1041501206 /nfs/dbraw/zinc/50/12/06/1041501206.db2.gz OXWQFWCXAVAUSP-UHFFFAOYSA-N 2 1 338.495 3.909 20 0 EHADMP CO[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496368 1041574773 /nfs/dbraw/zinc/57/47/73/1041574773.db2.gz GIZUGBWGIGNJJC-VQIMIIECSA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496368 1041574778 /nfs/dbraw/zinc/57/47/78/1041574778.db2.gz GIZUGBWGIGNJJC-VQIMIIECSA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496368 1041574784 /nfs/dbraw/zinc/57/47/84/1041574784.db2.gz GIZUGBWGIGNJJC-VQIMIIECSA-N 2 1 336.545 3.625 20 0 EHADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000651699968 1041941998 /nfs/dbraw/zinc/94/19/98/1041941998.db2.gz NUKRMUWCOUVDQI-VQTJNVASSA-N 2 1 332.532 3.592 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cn1 ZINC000800223513 1041980535 /nfs/dbraw/zinc/98/05/35/1041980535.db2.gz FCVYIAYHQBMDJX-UYAOXDASSA-N 2 1 347.466 3.787 20 0 EHADMP COc1cccc([C@]2(C)CC[N@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000661709563 1042266443 /nfs/dbraw/zinc/26/64/43/1042266443.db2.gz QIRFNZPRQUTVFH-HXUWFJFHSA-N 2 1 327.472 3.644 20 0 EHADMP COc1cccc([C@]2(C)CC[N@@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000661709563 1042266448 /nfs/dbraw/zinc/26/64/48/1042266448.db2.gz QIRFNZPRQUTVFH-HXUWFJFHSA-N 2 1 327.472 3.644 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652208332 1042270627 /nfs/dbraw/zinc/27/06/27/1042270627.db2.gz BDZYOOVPSQARID-DYESRHJHSA-N 2 1 339.483 3.501 20 0 EHADMP CCC(O)(CC)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278847948 1042292785 /nfs/dbraw/zinc/29/27/85/1042292785.db2.gz VIKBQHBMYOAEDM-ACDBMABISA-N 2 1 330.516 3.713 20 0 EHADMP Cc1ccc(SCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652347585 1042407856 /nfs/dbraw/zinc/40/78/56/1042407856.db2.gz FHPUVYNLQBJZIJ-CMKODMSKSA-N 2 1 348.556 3.614 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)C1 ZINC000652348889 1042408710 /nfs/dbraw/zinc/40/87/10/1042408710.db2.gz UQSQSOFDUKTKLB-BHDDXSALSA-N 2 1 338.495 3.601 20 0 EHADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000249038744 1042532084 /nfs/dbraw/zinc/53/20/84/1042532084.db2.gz UBWYLSUCOSOPPM-CIAFKFPVSA-N 2 1 342.527 3.713 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000662201502 1042587169 /nfs/dbraw/zinc/58/71/69/1042587169.db2.gz MGFGKCBGIOYTEL-NRFANRHFSA-N 2 1 335.580 3.695 20 0 EHADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254286 1042638304 /nfs/dbraw/zinc/63/83/04/1042638304.db2.gz GVOPMWKEQUMEBW-CZUORRHYSA-N 2 1 342.405 3.609 20 0 EHADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291764 1042662279 /nfs/dbraw/zinc/66/22/79/1042662279.db2.gz KAZPSOVXHODVAJ-ZFWWWQNUSA-N 2 1 346.500 3.571 20 0 EHADMP c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)oc1-c1ccccc1 ZINC000662293808 1042663637 /nfs/dbraw/zinc/66/36/37/1042663637.db2.gz OCYHBLDBYLITAE-SFHVURJKSA-N 2 1 325.456 3.553 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1F ZINC000662307278 1042674840 /nfs/dbraw/zinc/67/48/40/1042674840.db2.gz YQGRJCUOGZXHDD-FQEVSTJZSA-N 2 1 340.442 3.817 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465233 1042884214 /nfs/dbraw/zinc/88/42/14/1042884214.db2.gz IRIXPZQMMJHNDS-VQIMIIECSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465233 1042884220 /nfs/dbraw/zinc/88/42/20/1042884220.db2.gz IRIXPZQMMJHNDS-VQIMIIECSA-N 2 1 336.907 3.739 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466502 1042888550 /nfs/dbraw/zinc/88/85/50/1042888550.db2.gz USSYUVFKVALGHP-HRAATJIYSA-N 2 1 346.490 3.997 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466502 1042888556 /nfs/dbraw/zinc/88/85/56/1042888556.db2.gz USSYUVFKVALGHP-HRAATJIYSA-N 2 1 346.490 3.997 20 0 EHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466541 1042893245 /nfs/dbraw/zinc/89/32/45/1042893245.db2.gz VESSZUWTRZKBIK-KXBFYZLASA-N 2 1 332.463 3.533 20 0 EHADMP Cc1ccc([C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CCC2)o1 ZINC000343950191 1042923725 /nfs/dbraw/zinc/92/37/25/1042923725.db2.gz ZCVIQZRBOOEJGJ-FQEVSTJZSA-N 2 1 343.471 3.554 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001167826919 1042962769 /nfs/dbraw/zinc/96/27/69/1042962769.db2.gz RXOKEDJGZHPOGG-HXUWFJFHSA-N 2 1 331.548 3.705 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432371258 1043017783 /nfs/dbraw/zinc/01/77/83/1043017783.db2.gz XUTYTXSTMIDLFA-CYBMUJFWSA-N 2 1 331.287 3.584 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001167834933 1043030056 /nfs/dbraw/zinc/03/00/56/1043030056.db2.gz NXEUVDGPKSGBDV-OALUTQOASA-N 2 1 333.520 3.744 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000432409964 1043111219 /nfs/dbraw/zinc/11/12/19/1043111219.db2.gz KPWKPJYFGXXBAK-ZIAGYGMSSA-N 2 1 330.925 3.943 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000432409964 1043111226 /nfs/dbraw/zinc/11/12/26/1043111226.db2.gz KPWKPJYFGXXBAK-ZIAGYGMSSA-N 2 1 330.925 3.943 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2c3ccccc3-c3ccccc32)CCCO1 ZINC000432412177 1043117573 /nfs/dbraw/zinc/11/75/73/1043117573.db2.gz FEAJMFBBUGPYFL-QGZVFWFLSA-N 2 1 336.479 3.847 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2c3ccccc3-c3ccccc32)CCCO1 ZINC000432412177 1043117583 /nfs/dbraw/zinc/11/75/83/1043117583.db2.gz FEAJMFBBUGPYFL-QGZVFWFLSA-N 2 1 336.479 3.847 20 0 EHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432425521 1043174914 /nfs/dbraw/zinc/17/49/14/1043174914.db2.gz NAOMOVPFDYKZCJ-QZTJIDSGSA-N 2 1 334.504 3.625 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587590 1043323208 /nfs/dbraw/zinc/32/32/08/1043323208.db2.gz YUPUZBYRPORLJF-LSDHHAIUSA-N 2 1 328.447 3.927 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587590 1043323213 /nfs/dbraw/zinc/32/32/13/1043323213.db2.gz YUPUZBYRPORLJF-LSDHHAIUSA-N 2 1 328.447 3.927 20 0 EHADMP CS[C@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)(C)C ZINC000344339592 1043686157 /nfs/dbraw/zinc/68/61/57/1043686157.db2.gz YLCHJLWHHLUJIF-OAHLLOKOSA-N 2 1 341.590 3.777 20 0 EHADMP CS[C@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)(C)C ZINC000344339592 1043686166 /nfs/dbraw/zinc/68/61/66/1043686166.db2.gz YLCHJLWHHLUJIF-OAHLLOKOSA-N 2 1 341.590 3.777 20 0 EHADMP O[C@@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269768 1044485385 /nfs/dbraw/zinc/48/53/85/1044485385.db2.gz MUSBVHSLWMEOCK-VXKWHMMOSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269768 1044485394 /nfs/dbraw/zinc/48/53/94/1044485394.db2.gz MUSBVHSLWMEOCK-VXKWHMMOSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269768 1044485401 /nfs/dbraw/zinc/48/54/01/1044485401.db2.gz MUSBVHSLWMEOCK-VXKWHMMOSA-N 2 1 342.527 3.526 20 0 EHADMP c1ccc(C[N@@H+](Cc2ccc3ncccc3c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261605868 1044572718 /nfs/dbraw/zinc/57/27/18/1044572718.db2.gz BFOBYYSYGJKJAR-OAQYLSRUSA-N 2 1 346.478 3.774 20 0 EHADMP c1ccc(C[N@H+](Cc2ccc3ncccc3c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261605868 1044572733 /nfs/dbraw/zinc/57/27/33/1044572733.db2.gz BFOBYYSYGJKJAR-OAQYLSRUSA-N 2 1 346.478 3.774 20 0 EHADMP COc1ccc(C[C@H](C)C[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000154380642 1125715488 /nfs/dbraw/zinc/71/54/88/1125715488.db2.gz YJABGUWGRRAYNN-KRWDZBQOSA-N 2 1 329.488 3.791 20 0 EHADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000154380642 1125715493 /nfs/dbraw/zinc/71/54/93/1125715493.db2.gz YJABGUWGRRAYNN-KRWDZBQOSA-N 2 1 329.488 3.791 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000154531390 1125727308 /nfs/dbraw/zinc/72/73/08/1125727308.db2.gz RKJJIRCXIXGYKP-IBGZPJMESA-N 2 1 343.559 3.634 20 0 EHADMP Cc1ncccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174452698 1126853342 /nfs/dbraw/zinc/85/33/42/1126853342.db2.gz FOFVRKRZCMCDBN-UHFFFAOYSA-N 2 1 335.451 3.905 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000174514527 1126854492 /nfs/dbraw/zinc/85/44/92/1126854492.db2.gz OIUPMOVOWLYOFS-APWZRJJASA-N 2 1 342.458 3.977 20 0 EHADMP CC(C)(C)c1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000671305089 1126898314 /nfs/dbraw/zinc/89/83/14/1126898314.db2.gz RWWGSKKUKAGZMU-UHFFFAOYSA-N 2 1 344.547 3.862 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000671312325 1126910554 /nfs/dbraw/zinc/91/05/54/1126910554.db2.gz ILQDDVJNHNXMQG-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000671312325 1126910558 /nfs/dbraw/zinc/91/05/58/1126910558.db2.gz ILQDDVJNHNXMQG-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671312325 1126910560 /nfs/dbraw/zinc/91/05/60/1126910560.db2.gz ILQDDVJNHNXMQG-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000671312325 1126910563 /nfs/dbraw/zinc/91/05/63/1126910563.db2.gz ILQDDVJNHNXMQG-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623375013 1126938389 /nfs/dbraw/zinc/93/83/89/1126938389.db2.gz YWERONFUVZCUBF-SFHVURJKSA-N 2 1 330.516 3.506 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)CC1(C)C ZINC000623405465 1126948598 /nfs/dbraw/zinc/94/85/98/1126948598.db2.gz IOSVCNYIUPKFAV-MLGOLLRUSA-N 2 1 337.305 3.899 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396399 1126943973 /nfs/dbraw/zinc/94/39/73/1126943973.db2.gz QZAVMMJZSFTUHH-FUHWJXTLSA-N 2 1 349.950 3.937 20 0 EHADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623423970 1126951375 /nfs/dbraw/zinc/95/13/75/1126951375.db2.gz YUKRTAFONIGUQF-ZWKOTPCHSA-N 2 1 333.495 3.565 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1(C)C ZINC000623432876 1126955011 /nfs/dbraw/zinc/95/50/11/1126955011.db2.gz OMLQQNYMKFKVOY-ZWNOBZJWSA-N 2 1 329.271 3.889 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000623657022 1127006839 /nfs/dbraw/zinc/00/68/39/1127006839.db2.gz IABVNNHVCIFNES-SFHVURJKSA-N 2 1 343.540 3.750 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000623657022 1127006841 /nfs/dbraw/zinc/00/68/41/1127006841.db2.gz IABVNNHVCIFNES-SFHVURJKSA-N 2 1 343.540 3.750 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000623656759 1127007118 /nfs/dbraw/zinc/00/71/18/1127007118.db2.gz BEJBUSPMWHCPSC-SFHVURJKSA-N 2 1 349.950 3.626 20 0 EHADMP CC[N@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100003 1127120866 /nfs/dbraw/zinc/12/08/66/1127120866.db2.gz GAGORSASNAMORB-HXUWFJFHSA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1ccc2c[nH]nc2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100003 1127120870 /nfs/dbraw/zinc/12/08/70/1127120870.db2.gz GAGORSASNAMORB-HXUWFJFHSA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1ccc2c[nH]nc2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100003 1127120872 /nfs/dbraw/zinc/12/08/72/1127120872.db2.gz GAGORSASNAMORB-HXUWFJFHSA-N 2 1 348.494 3.907 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623998119 1127229711 /nfs/dbraw/zinc/22/97/11/1127229711.db2.gz HMTAFGSMSQPGKD-INIZCTEOSA-N 2 1 326.488 3.612 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000624019602 1127234557 /nfs/dbraw/zinc/23/45/57/1127234557.db2.gz WIUCHWZVNLLQTI-RYQLBKOJSA-N 2 1 332.488 3.589 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000624019602 1127234558 /nfs/dbraw/zinc/23/45/58/1127234558.db2.gz WIUCHWZVNLLQTI-RYQLBKOJSA-N 2 1 332.488 3.589 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000624019483 1127234578 /nfs/dbraw/zinc/23/45/78/1127234578.db2.gz ROXDFIGKIINSDS-SJLPKXTDSA-N 2 1 334.504 3.692 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624222807 1127319827 /nfs/dbraw/zinc/31/98/27/1127319827.db2.gz FZMYWPZHUYOCGE-KOQKOIQBSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566027 1127416797 /nfs/dbraw/zinc/41/67/97/1127416797.db2.gz GPQNYCMGGOVJAU-YSIASYRMSA-N 2 1 336.479 3.663 20 0 EHADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)O1 ZINC000369214304 1127421474 /nfs/dbraw/zinc/42/14/74/1127421474.db2.gz KMYWPVOGDYJHHM-MBOZVWFJSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H](C)O1 ZINC000369214304 1127421475 /nfs/dbraw/zinc/42/14/75/1127421475.db2.gz KMYWPVOGDYJHHM-MBOZVWFJSA-N 2 1 330.516 3.833 20 0 EHADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000383765972 1127557006 /nfs/dbraw/zinc/55/70/06/1127557006.db2.gz FSLFBMBPQPRCHI-ZSYWTGECSA-N 2 1 334.454 3.922 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399221730 1127624285 /nfs/dbraw/zinc/62/42/85/1127624285.db2.gz YYTZBUAXYCCIFL-QGZVFWFLSA-N 2 1 345.512 3.544 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399221730 1127624287 /nfs/dbraw/zinc/62/42/87/1127624287.db2.gz YYTZBUAXYCCIFL-QGZVFWFLSA-N 2 1 345.512 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4Cc5ccccc54)C[C@@H]3C2)cc1 ZINC000386341538 1127665588 /nfs/dbraw/zinc/66/55/88/1127665588.db2.gz LSCYRADUGUXTOG-FSSWDIPSSA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc54)C[C@@H]3C2)cc1 ZINC000386341538 1127665590 /nfs/dbraw/zinc/66/55/90/1127665590.db2.gz LSCYRADUGUXTOG-FSSWDIPSSA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc54)C[C@@H]3C2)cc1 ZINC000386341538 1127665593 /nfs/dbraw/zinc/66/55/93/1127665593.db2.gz LSCYRADUGUXTOG-FSSWDIPSSA-N 2 1 332.491 3.780 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921619255 1127837858 /nfs/dbraw/zinc/83/78/58/1127837858.db2.gz NYMOQIIAUFXEBW-SFHVURJKSA-N 2 1 325.456 3.694 20 0 EHADMP CC(C)(C)OCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723292 1128131086 /nfs/dbraw/zinc/13/10/86/1128131086.db2.gz MBXZNIZIKNRWPF-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723292 1128131089 /nfs/dbraw/zinc/13/10/89/1128131089.db2.gz MBXZNIZIKNRWPF-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)(C)OCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723292 1128131092 /nfs/dbraw/zinc/13/10/92/1128131092.db2.gz MBXZNIZIKNRWPF-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000671740625 1128179190 /nfs/dbraw/zinc/17/91/90/1128179190.db2.gz RXXOOQMGQXYCFH-UFYCRDLUSA-N 2 1 337.467 3.836 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671746641 1128186358 /nfs/dbraw/zinc/18/63/58/1128186358.db2.gz ORJMVPNJGNFVTG-AWEZNQCLSA-N 2 1 339.439 3.836 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781909 1128366378 /nfs/dbraw/zinc/36/63/78/1128366378.db2.gz CTAHPQISKNYABJ-MSOLQXFVSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781909 1128366383 /nfs/dbraw/zinc/36/63/83/1128366383.db2.gz CTAHPQISKNYABJ-MSOLQXFVSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781909 1128366389 /nfs/dbraw/zinc/36/63/89/1128366389.db2.gz CTAHPQISKNYABJ-MSOLQXFVSA-N 2 1 326.488 3.643 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765792161 1128369317 /nfs/dbraw/zinc/36/93/17/1128369317.db2.gz OMFSXTKKZCIFPE-HDMKZQKVSA-N 2 1 342.508 3.732 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765792161 1128369320 /nfs/dbraw/zinc/36/93/20/1128369320.db2.gz OMFSXTKKZCIFPE-HDMKZQKVSA-N 2 1 342.508 3.732 20 0 EHADMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166396490 1128455966 /nfs/dbraw/zinc/45/59/66/1128455966.db2.gz LUHRBESSDOZPFQ-RKVPGOIHSA-N 2 1 336.426 3.882 20 0 EHADMP FC(F)Sc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843125210 1128510792 /nfs/dbraw/zinc/51/07/92/1128510792.db2.gz OCNLEZUKHFXDCZ-HUUCEWRRSA-N 2 1 326.456 3.823 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000227777327 1120181895 /nfs/dbraw/zinc/18/18/95/1120181895.db2.gz NSWAUUAZQMWRLN-UHFFFAOYSA-N 2 1 331.323 3.783 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000186879894 1120478559 /nfs/dbraw/zinc/47/85/59/1120478559.db2.gz IHKZVLRSQDJIIC-OAQYLSRUSA-N 2 1 343.559 3.750 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000494477150 1120568764 /nfs/dbraw/zinc/56/87/64/1120568764.db2.gz PYOODHWSWZPPCC-UHFFFAOYSA-N 2 1 330.794 3.658 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000189453203 1120587156 /nfs/dbraw/zinc/58/71/56/1120587156.db2.gz IUDLLLOEKHHCEJ-HNNXBMFYSA-N 2 1 342.314 3.646 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494608682 1120685977 /nfs/dbraw/zinc/68/59/77/1120685977.db2.gz LBTZEMKLWWGFKV-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494608682 1120685981 /nfs/dbraw/zinc/68/59/81/1120685981.db2.gz LBTZEMKLWWGFKV-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc(F)cc2)cc1 ZINC000494968954 1120921191 /nfs/dbraw/zinc/92/11/91/1120921191.db2.gz LYNXXSSSRHRYMY-NRFANRHFSA-N 2 1 340.442 3.775 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCCO2)CCN1Cc1ccccc1 ZINC000347441729 1120963929 /nfs/dbraw/zinc/96/39/29/1120963929.db2.gz PUYDATGPRLZYQR-NRSPTQNISA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000347441729 1120963930 /nfs/dbraw/zinc/96/39/30/1120963930.db2.gz PUYDATGPRLZYQR-NRSPTQNISA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000347441729 1120963931 /nfs/dbraw/zinc/96/39/31/1120963931.db2.gz PUYDATGPRLZYQR-NRSPTQNISA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441729 1120963932 /nfs/dbraw/zinc/96/39/32/1120963932.db2.gz PUYDATGPRLZYQR-NRSPTQNISA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441729 1120963933 /nfs/dbraw/zinc/96/39/33/1120963933.db2.gz PUYDATGPRLZYQR-NRSPTQNISA-N 2 1 330.516 3.931 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000232668431 1121138107 /nfs/dbraw/zinc/13/81/07/1121138107.db2.gz OMGZMEXTFNTWCX-GOEBONIOSA-N 2 1 339.321 3.700 20 0 EHADMP C[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000398017117 1121960467 /nfs/dbraw/zinc/96/04/67/1121960467.db2.gz RONUMQILCFAVEU-FNAHDJPLSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000398017117 1121960468 /nfs/dbraw/zinc/96/04/68/1121960468.db2.gz RONUMQILCFAVEU-FNAHDJPLSA-N 2 1 341.543 3.551 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496956930 1122218922 /nfs/dbraw/zinc/21/89/22/1122218922.db2.gz LYYNUZZGDKIVGB-NVXWUHKLSA-N 2 1 347.503 3.914 20 0 EHADMP Fc1ccccc1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282136880 1122270226 /nfs/dbraw/zinc/27/02/26/1122270226.db2.gz RRCFDLWRIWMVJG-QGZVFWFLSA-N 2 1 327.447 3.781 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000655788231 1122288082 /nfs/dbraw/zinc/28/80/82/1122288082.db2.gz FNBXUXHZACHWNJ-HLRQEUIKSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000655788231 1122288087 /nfs/dbraw/zinc/28/80/87/1122288087.db2.gz FNBXUXHZACHWNJ-HLRQEUIKSA-N 2 1 342.527 3.977 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccs1 ZINC000126690044 1122419200 /nfs/dbraw/zinc/41/92/00/1122419200.db2.gz JHPABLYDLDCKNQ-IBGZPJMESA-N 2 1 343.540 3.736 20 0 EHADMP C[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000127546893 1122492355 /nfs/dbraw/zinc/49/23/55/1122492355.db2.gz LMGSTGKDOXTVOH-QGZVFWFLSA-N 2 1 342.458 3.551 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000556052643 1122794486 /nfs/dbraw/zinc/79/44/86/1122794486.db2.gz JTOVSGUIAFMKPP-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556052643 1122794488 /nfs/dbraw/zinc/79/44/88/1122794488.db2.gz JTOVSGUIAFMKPP-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556052643 1122794493 /nfs/dbraw/zinc/79/44/93/1122794493.db2.gz JTOVSGUIAFMKPP-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000556105016 1122815890 /nfs/dbraw/zinc/81/58/90/1122815890.db2.gz PQOCJVOTJKCYKN-PKOBYXMFSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000556105016 1122815893 /nfs/dbraw/zinc/81/58/93/1122815893.db2.gz PQOCJVOTJKCYKN-PKOBYXMFSA-N 2 1 346.421 3.769 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000131196251 1123058499 /nfs/dbraw/zinc/05/84/99/1123058499.db2.gz IYEJNMJKTMWKFY-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000556887330 1123167940 /nfs/dbraw/zinc/16/79/40/1123167940.db2.gz URUZAMIVUUHKHL-PCCBWWKXSA-N 2 1 327.516 3.957 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131956938 1123192773 /nfs/dbraw/zinc/19/27/73/1123192773.db2.gz YAHFFORYKWPFQW-FPOVZHCZSA-N 2 1 330.516 3.802 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000556981893 1123254002 /nfs/dbraw/zinc/25/40/02/1123254002.db2.gz QZNGFCXIKAICMI-KRWDZBQOSA-N 2 1 348.288 3.782 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098425 1129154998 /nfs/dbraw/zinc/15/49/98/1129154998.db2.gz XUFDBHJGYSTUQX-BPQIPLTHSA-N 2 1 334.529 3.507 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098425 1129155002 /nfs/dbraw/zinc/15/50/02/1129155002.db2.gz XUFDBHJGYSTUQX-BPQIPLTHSA-N 2 1 334.529 3.507 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245903980 1123975350 /nfs/dbraw/zinc/97/53/50/1123975350.db2.gz OGIHFVWPGKEXDY-XUVXKRRUSA-N 2 1 330.516 3.820 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000246037817 1124004394 /nfs/dbraw/zinc/00/43/94/1124004394.db2.gz AWZTXPYGKKTDHI-BBRMVZONSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000246037817 1124004399 /nfs/dbraw/zinc/00/43/99/1124004399.db2.gz AWZTXPYGKKTDHI-BBRMVZONSA-N 2 1 340.895 3.567 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1nccn1C ZINC000246067318 1124011458 /nfs/dbraw/zinc/01/14/58/1124011458.db2.gz SBUYRLNQXAMMDX-KZNAEPCWSA-N 2 1 340.515 3.749 20 0 EHADMP CC(C)C[N@@H+](Cc1occc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552438 1124018750 /nfs/dbraw/zinc/01/87/50/1124018750.db2.gz QEDVICMAXBDBAR-JOCQHMNTSA-N 2 1 329.282 3.770 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(Oc3ccccc3)nc2)[C@@H](C)C1 ZINC000246845261 1124557693 /nfs/dbraw/zinc/55/76/93/1124557693.db2.gz BDBBQUOYTUTNLH-QFBILLFUSA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@@H](C)C1 ZINC000246845261 1124557716 /nfs/dbraw/zinc/55/77/16/1124557716.db2.gz BDBBQUOYTUTNLH-QFBILLFUSA-N 2 1 325.456 3.694 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569308 /nfs/dbraw/zinc/56/93/08/1124569308.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569317 /nfs/dbraw/zinc/56/93/17/1124569317.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569331 /nfs/dbraw/zinc/56/93/31/1124569331.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569339 /nfs/dbraw/zinc/56/93/39/1124569339.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569344 /nfs/dbraw/zinc/56/93/44/1124569344.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569348 /nfs/dbraw/zinc/56/93/48/1124569348.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569355 /nfs/dbraw/zinc/56/93/55/1124569355.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569362 /nfs/dbraw/zinc/56/93/62/1124569362.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000246939709 1124569365 /nfs/dbraw/zinc/56/93/65/1124569365.db2.gz HOMNUHQFZNXYKA-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247142367 1124590842 /nfs/dbraw/zinc/59/08/42/1124590842.db2.gz WHDVAPARHPNWBS-ZVDOUQERSA-N 2 1 332.532 3.907 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@@H](C)C1 ZINC000247188406 1124593569 /nfs/dbraw/zinc/59/35/69/1124593569.db2.gz ZTFNJHSVMSPTGB-KXBFYZLASA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@@H](C)C1 ZINC000247188406 1124593577 /nfs/dbraw/zinc/59/35/77/1124593577.db2.gz ZTFNJHSVMSPTGB-KXBFYZLASA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(C)cc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247220127 1124595874 /nfs/dbraw/zinc/59/58/74/1124595874.db2.gz WJCQPVPYWVHSLV-GOEBONIOSA-N 2 1 344.421 3.756 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247220127 1124595888 /nfs/dbraw/zinc/59/58/88/1124595888.db2.gz WJCQPVPYWVHSLV-GOEBONIOSA-N 2 1 344.421 3.756 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247231063 1124597579 /nfs/dbraw/zinc/59/75/79/1124597579.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247231063 1124597586 /nfs/dbraw/zinc/59/75/86/1124597586.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247231063 1124597592 /nfs/dbraw/zinc/59/75/92/1124597592.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247231063 1124597598 /nfs/dbraw/zinc/59/75/98/1124597598.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247231063 1124597603 /nfs/dbraw/zinc/59/76/03/1124597603.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247231063 1124597609 /nfs/dbraw/zinc/59/76/09/1124597609.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247231063 1124597616 /nfs/dbraw/zinc/59/76/16/1124597616.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)C1 ZINC000247231063 1124597625 /nfs/dbraw/zinc/59/76/25/1124597625.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)C1 ZINC000247231063 1124597629 /nfs/dbraw/zinc/59/76/29/1124597629.db2.gz YHPXBSVUWGTHMD-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP CC(=O)c1c(C)cc(C)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000248161674 1124643386 /nfs/dbraw/zinc/64/33/86/1124643386.db2.gz SGVPBKFRBZIIEZ-ICSRJNTNSA-N 2 1 328.500 3.731 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1C ZINC000248161674 1124643392 /nfs/dbraw/zinc/64/33/92/1124643392.db2.gz SGVPBKFRBZIIEZ-ICSRJNTNSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1csc(Cl)c1 ZINC000248726090 1124693575 /nfs/dbraw/zinc/69/35/75/1124693575.db2.gz URJXEBPKXDXIHM-HZSPNIEDSA-N 2 1 330.925 3.942 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249153098 1124741845 /nfs/dbraw/zinc/74/18/45/1124741845.db2.gz VNVDFDATWGHEIQ-NYUBLWNDSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089614282 1124826649 /nfs/dbraw/zinc/82/66/49/1124826649.db2.gz DJERIDGMNUWBRS-QFBILLFUSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089614282 1124826657 /nfs/dbraw/zinc/82/66/57/1124826657.db2.gz DJERIDGMNUWBRS-QFBILLFUSA-N 2 1 335.923 3.503 20 0 EHADMP CCc1ccc([C@H]([NH2+]CCCCN2CC[NH+](CC)CC2)C(C)C)cc1 ZINC000091285181 1124973651 /nfs/dbraw/zinc/97/36/51/1124973651.db2.gz WHYHVQUJUBCTBP-JOCHJYFZSA-N 2 1 345.575 3.953 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000091288705 1124974779 /nfs/dbraw/zinc/97/47/79/1124974779.db2.gz WGNCBAGPDBRWGG-HSZRJFAPSA-N 2 1 349.522 3.675 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000182914332 1125401138 /nfs/dbraw/zinc/40/11/38/1125401138.db2.gz TZOCFIUAMTVQLD-QZTJIDSGSA-N 3 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)ccc1OC ZINC000182914332 1125401140 /nfs/dbraw/zinc/40/11/40/1125401140.db2.gz TZOCFIUAMTVQLD-QZTJIDSGSA-N 2 1 347.547 3.529 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC[N@H+]1C ZINC000499708457 1129387052 /nfs/dbraw/zinc/38/70/52/1129387052.db2.gz UJTMQIYKJAEXPT-JXFKEZNVSA-N 2 1 342.458 3.977 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cnc2ccsc2c1 ZINC000765978092 1129388004 /nfs/dbraw/zinc/38/80/04/1129388004.db2.gz SIQOKXOPMZECEF-PBHICJAKSA-N 2 1 345.512 3.590 20 0 EHADMP CCCCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657753139 1129477170 /nfs/dbraw/zinc/47/71/70/1129477170.db2.gz ZCDJPIUOGOLZCF-FQEVSTJZSA-N 2 1 346.515 3.599 20 0 EHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C3CCC3)cc1)C2 ZINC000922388787 1129514818 /nfs/dbraw/zinc/51/48/18/1129514818.db2.gz FWFSEYSHSDVTRD-YUMYIRISSA-N 2 1 342.527 3.523 20 0 EHADMP C[NH+](C)CC[C@@H](N[C@H]1CCOC2(CCCCC2)C1)c1cccnc1 ZINC000922628862 1129604217 /nfs/dbraw/zinc/60/42/17/1129604217.db2.gz GWIYUBXURQMCIB-RBUKOAKNSA-N 2 1 331.504 3.546 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009309 1129693902 /nfs/dbraw/zinc/69/39/02/1129693902.db2.gz OLYWKBJLXYXDMF-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009309 1129693903 /nfs/dbraw/zinc/69/39/03/1129693903.db2.gz OLYWKBJLXYXDMF-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009309 1129693905 /nfs/dbraw/zinc/69/39/05/1129693905.db2.gz OLYWKBJLXYXDMF-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)s1 ZINC000347873812 1129953887 /nfs/dbraw/zinc/95/38/87/1129953887.db2.gz VUOXWYVDWSOMDD-IBGZPJMESA-N 2 1 329.513 3.758 20 0 EHADMP CN(C)Cc1cnc(CN2CCC[C@](C)(c3ccccc3)C2)s1 ZINC000347873812 1129953889 /nfs/dbraw/zinc/95/38/89/1129953889.db2.gz VUOXWYVDWSOMDD-IBGZPJMESA-N 2 1 329.513 3.758 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000785471585 1130010566 /nfs/dbraw/zinc/01/05/66/1130010566.db2.gz VYASGOOLBCNXBX-MRXNPFEDSA-N 2 1 327.447 3.844 20 0 EHADMP CCCN1CC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000658283284 1130341143 /nfs/dbraw/zinc/34/11/43/1130341143.db2.gz BIHCMAMMAOEVGW-KBWCOIMZSA-N 2 1 329.532 3.504 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000429251631 1130377233 /nfs/dbraw/zinc/37/72/33/1130377233.db2.gz ISXDNMRTIZHGAN-UHFFFAOYSA-N 2 1 335.879 3.890 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000429251631 1130377237 /nfs/dbraw/zinc/37/72/37/1130377237.db2.gz ISXDNMRTIZHGAN-UHFFFAOYSA-N 2 1 335.879 3.890 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000246791564 1130413446 /nfs/dbraw/zinc/41/34/46/1130413446.db2.gz HUPQJOHQPJXQHS-KBPBESRZSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246791564 1130413450 /nfs/dbraw/zinc/41/34/50/1130413450.db2.gz HUPQJOHQPJXQHS-KBPBESRZSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246791564 1130413460 /nfs/dbraw/zinc/41/34/60/1130413460.db2.gz HUPQJOHQPJXQHS-KBPBESRZSA-N 2 1 325.294 3.784 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)cc2C)[C@H](C)C1 ZINC000675732619 1130464277 /nfs/dbraw/zinc/46/42/77/1130464277.db2.gz ATGIHPGWAWMQEQ-IFMALSPDSA-N 2 1 346.559 3.963 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779834 1130472108 /nfs/dbraw/zinc/47/21/08/1130472108.db2.gz JOKWUIZTIWJHLV-XXBNENTESA-N 2 1 349.522 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779834 1130472114 /nfs/dbraw/zinc/47/21/14/1130472114.db2.gz JOKWUIZTIWJHLV-XXBNENTESA-N 2 1 349.522 3.502 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3C)[C@@H](C)C1 ZINC000675885288 1130502131 /nfs/dbraw/zinc/50/21/31/1130502131.db2.gz ONMYZAAVFMXRKJ-YYWHXJBOSA-N 2 1 330.516 3.709 20 0 EHADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000675902876 1130505802 /nfs/dbraw/zinc/50/58/02/1130505802.db2.gz KAJAQJPPZHFGPN-FQEVSTJZSA-N 2 1 344.499 3.906 20 0 EHADMP Cc1cc2ncn(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2cc1C ZINC000738272142 1131464975 /nfs/dbraw/zinc/46/49/75/1131464975.db2.gz PIIGIWVYQAMNEG-SFHVURJKSA-N 2 1 326.488 3.561 20 0 EHADMP Cc1cc2ncn(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2cc1C ZINC000738272142 1131464977 /nfs/dbraw/zinc/46/49/77/1131464977.db2.gz PIIGIWVYQAMNEG-SFHVURJKSA-N 2 1 326.488 3.561 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886386 1131554060 /nfs/dbraw/zinc/55/40/60/1131554060.db2.gz QBUJEDXZZYRMRT-YJBOKZPZSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886386 1131554064 /nfs/dbraw/zinc/55/40/64/1131554064.db2.gz QBUJEDXZZYRMRT-YJBOKZPZSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886386 1131554068 /nfs/dbraw/zinc/55/40/68/1131554068.db2.gz QBUJEDXZZYRMRT-YJBOKZPZSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886386 1131554072 /nfs/dbraw/zinc/55/40/72/1131554072.db2.gz QBUJEDXZZYRMRT-YJBOKZPZSA-N 2 1 342.483 3.660 20 0 EHADMP Cc1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)sc2nc(C)nc(C)c12 ZINC000742380118 1131718570 /nfs/dbraw/zinc/71/85/70/1131718570.db2.gz HXKNNCGIJWVTHL-MQVJKMGUSA-N 2 1 344.528 3.721 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(C)c1OC(F)F ZINC000742733846 1131781987 /nfs/dbraw/zinc/78/19/87/1131781987.db2.gz DMBUMWHCACXKSV-HNNXBMFYSA-N 2 1 326.431 3.725 20 0 EHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172544315 1131783259 /nfs/dbraw/zinc/78/32/59/1131783259.db2.gz STBNCMYWFJMBOO-UXHICEINSA-N 2 1 346.515 3.530 20 0 EHADMP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174781 1131821963 /nfs/dbraw/zinc/82/19/63/1131821963.db2.gz PLROGPQXWYLSML-RBUKOAKNSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174781 1131821974 /nfs/dbraw/zinc/82/19/74/1131821974.db2.gz PLROGPQXWYLSML-RBUKOAKNSA-N 2 1 328.431 3.623 20 0 EHADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172932793 1131910661 /nfs/dbraw/zinc/91/06/61/1131910661.db2.gz ZBIDCZKGFWFGAD-VJANTYMQSA-N 2 1 334.479 3.855 20 0 EHADMP CCCOC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001173097186 1131952711 /nfs/dbraw/zinc/95/27/11/1131952711.db2.gz IQBFEGUPKHFHGJ-YYZRRKBYSA-N 2 1 348.556 3.850 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001173078009 1131958604 /nfs/dbraw/zinc/95/86/04/1131958604.db2.gz HVHARURMWUOFRJ-ZDUSSCGKSA-N 2 1 342.405 3.733 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173082253 1131961828 /nfs/dbraw/zinc/96/18/28/1131961828.db2.gz FFHFCNFEENEIKZ-AWEZNQCLSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC(N)(c3ccc(F)cc3)CC2)CC1 ZINC001173105766 1131968019 /nfs/dbraw/zinc/96/80/19/1131968019.db2.gz DPZKKJSMMQYIIU-UHFFFAOYSA-N 2 1 347.522 3.729 20 0 EHADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C[C@H]1C ZINC001173117474 1131973162 /nfs/dbraw/zinc/97/31/62/1131973162.db2.gz MZXCZTHLDDHACR-SMVLHYPJSA-N 2 1 338.536 3.551 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001173117719 1131973401 /nfs/dbraw/zinc/97/34/01/1131973401.db2.gz UQGUDKQDEZWWLD-GUMHCPJTSA-N 2 1 339.543 3.538 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001173117719 1131973405 /nfs/dbraw/zinc/97/34/05/1131973405.db2.gz UQGUDKQDEZWWLD-GUMHCPJTSA-N 2 1 339.543 3.538 20 0 EHADMP C[N@H+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872823 1131998259 /nfs/dbraw/zinc/99/82/59/1131998259.db2.gz AQJASPQCWWOPFG-HOTGVXAUSA-N 2 1 327.299 3.634 20 0 EHADMP C[N@@H+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872823 1131998269 /nfs/dbraw/zinc/99/82/69/1131998269.db2.gz AQJASPQCWWOPFG-HOTGVXAUSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872823 1131998275 /nfs/dbraw/zinc/99/82/75/1131998275.db2.gz AQJASPQCWWOPFG-HOTGVXAUSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872823 1131998283 /nfs/dbraw/zinc/99/82/83/1131998283.db2.gz AQJASPQCWWOPFG-HOTGVXAUSA-N 2 1 327.299 3.634 20 0 EHADMP CCc1ccc(C[C@@H](C)[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)cc1 ZINC001173243989 1132015143 /nfs/dbraw/zinc/01/51/43/1132015143.db2.gz RAIBBWXSSYBTAV-GCJKJVERSA-N 2 1 344.543 3.755 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173665202 1132115862 /nfs/dbraw/zinc/11/58/62/1132115862.db2.gz DTGWWJCRWFHJIZ-KOMQPUFPSA-N 2 1 347.469 3.528 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001173782761 1132146636 /nfs/dbraw/zinc/14/66/36/1132146636.db2.gz LGAVYLANVGHQCK-SKINQDTJSA-N 2 1 344.499 3.712 20 0 EHADMP CC(C)c1cn(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(=S)n1C ZINC000766380726 1132522246 /nfs/dbraw/zinc/52/22/46/1132522246.db2.gz KHLNWLWQTOPUSA-UHFFFAOYSA-N 2 1 338.565 3.691 20 0 EHADMP Cc1ncn(-c2ccc([NH+]3CCCCC3)cc2C)c1CSCC[NH3+] ZINC001168797730 1132559853 /nfs/dbraw/zinc/55/98/53/1132559853.db2.gz PMTFXBWTSGJWTP-UHFFFAOYSA-N 2 1 344.528 3.671 20 0 EHADMP CC[C@]1(O)CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001175250247 1132609280 /nfs/dbraw/zinc/60/92/80/1132609280.db2.gz PRYLYUCWSOGQLS-QFIPXVFZSA-N 2 1 344.543 3.568 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169096907 1132653308 /nfs/dbraw/zinc/65/33/08/1132653308.db2.gz ZPWMVQROFUPZFV-NNZMDNLPSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169096907 1132653313 /nfs/dbraw/zinc/65/33/13/1132653313.db2.gz ZPWMVQROFUPZFV-NNZMDNLPSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Oc3ccccc3)nc1)C2 ZINC001169118620 1132663067 /nfs/dbraw/zinc/66/30/67/1132663067.db2.gz MBUALJMKUHKHTG-REPLKXPHSA-N 2 1 337.467 3.631 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119911 1132664513 /nfs/dbraw/zinc/66/45/13/1132664513.db2.gz YKRCXBANGJAMIU-BURNTYAHSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109325 1132671567 /nfs/dbraw/zinc/67/15/67/1132671567.db2.gz AUAAWMHZZRANQW-VWPFQQQWSA-N 2 1 339.405 3.766 20 0 EHADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@]1(C)c1cccc(O)c1 ZINC001169147707 1132676397 /nfs/dbraw/zinc/67/63/97/1132676397.db2.gz WAYRJRGCRNFUFD-DIJIZQCHSA-N 2 1 328.500 3.617 20 0 EHADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)c1cccc(O)c1 ZINC001169147707 1132676402 /nfs/dbraw/zinc/67/64/02/1132676402.db2.gz WAYRJRGCRNFUFD-DIJIZQCHSA-N 2 1 328.500 3.617 20 0 EHADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)c1cccc(O)c1 ZINC001169147707 1132676409 /nfs/dbraw/zinc/67/64/09/1132676409.db2.gz WAYRJRGCRNFUFD-DIJIZQCHSA-N 2 1 328.500 3.617 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000103143057 1132706223 /nfs/dbraw/zinc/70/62/23/1132706223.db2.gz QODKNUDGQSGFOF-QFIPXVFZSA-N 2 1 338.495 3.564 20 0 EHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccn(-c2ccccc2F)n1 ZINC001175687038 1132738815 /nfs/dbraw/zinc/73/88/15/1132738815.db2.gz HXDVHRCRNKYCPJ-UHFFFAOYSA-N 2 1 344.478 3.709 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccn(-c2ccccc2F)n1 ZINC001175687038 1132738823 /nfs/dbraw/zinc/73/88/23/1132738823.db2.gz HXDVHRCRNKYCPJ-UHFFFAOYSA-N 2 1 344.478 3.709 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CCC[C@@H]1C[NH3+] ZINC001206011905 1132757915 /nfs/dbraw/zinc/75/79/15/1132757915.db2.gz GZVJYGXSPKDNBY-SJLPKXTDSA-N 2 1 331.504 3.600 20 0 EHADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1ccc(C[NH3+])cc1 ZINC001175967848 1132803495 /nfs/dbraw/zinc/80/34/95/1132803495.db2.gz XXMLZNLMVHMXNE-UHFFFAOYSA-N 2 1 331.217 3.608 20 0 EHADMP CC(C)COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001176282578 1132889939 /nfs/dbraw/zinc/88/99/39/1132889939.db2.gz YSIZGHJCONKAKB-GOSISDBHSA-N 2 1 339.483 3.827 20 0 EHADMP C[NH+](C)Cc1ccc(Nc2c[nH+]c3ccc(Br)cn23)cc1 ZINC001176292725 1132893402 /nfs/dbraw/zinc/89/34/02/1132893402.db2.gz UFNNODRGXCXNPC-UHFFFAOYSA-N 2 1 345.244 3.902 20 0 EHADMP c1nn(CC[NH+]2CCCC2)cc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001176557959 1132966658 /nfs/dbraw/zinc/96/66/58/1132966658.db2.gz DSXHKBNVNGDONC-UHFFFAOYSA-N 2 1 333.439 3.785 20 0 EHADMP CCC[C@](C)([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891247 1133007745 /nfs/dbraw/zinc/00/77/45/1133007745.db2.gz CIABDTMUOXFJMM-VXKWHMMOSA-N 2 1 340.511 3.784 20 0 EHADMP CCC[C@](C)([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891247 1133007750 /nfs/dbraw/zinc/00/77/50/1133007750.db2.gz CIABDTMUOXFJMM-VXKWHMMOSA-N 2 1 340.511 3.784 20 0 EHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCC(C)(C)CC2)c2cccs2)CC1 ZINC001177103908 1133030913 /nfs/dbraw/zinc/03/09/13/1133030913.db2.gz DRROBPHIOJVCCM-ZWKOTPCHSA-N 2 1 349.588 3.985 20 0 EHADMP Cc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC001177222879 1133041909 /nfs/dbraw/zinc/04/19/09/1133041909.db2.gz SQIAWOSMVOOEMZ-FQEVSTJZSA-N 2 1 343.540 3.525 20 0 EHADMP c1ccc2c(c1)cncc2C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001177245217 1133044677 /nfs/dbraw/zinc/04/46/77/1133044677.db2.gz MXIDVBMPGSZJTC-UHFFFAOYSA-N 2 1 331.463 3.773 20 0 EHADMP c1ccc2c(c1)cncc2C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001177245217 1133044683 /nfs/dbraw/zinc/04/46/83/1133044683.db2.gz MXIDVBMPGSZJTC-UHFFFAOYSA-N 2 1 331.463 3.773 20 0 EHADMP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001177256421 1133046318 /nfs/dbraw/zinc/04/63/18/1133046318.db2.gz FVRBKCMEIPLXRA-HNNXBMFYSA-N 2 1 326.488 3.691 20 0 EHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483599 1133068713 /nfs/dbraw/zinc/06/87/13/1133068713.db2.gz ZFOSYHZIDGNLEC-SVFBPWRDSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483599 1133068720 /nfs/dbraw/zinc/06/87/20/1133068720.db2.gz ZFOSYHZIDGNLEC-SVFBPWRDSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177483599 1133068726 /nfs/dbraw/zinc/06/87/26/1133068726.db2.gz ZFOSYHZIDGNLEC-SVFBPWRDSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177483599 1133068731 /nfs/dbraw/zinc/06/87/31/1133068731.db2.gz ZFOSYHZIDGNLEC-SVFBPWRDSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC001178248541 1133145156 /nfs/dbraw/zinc/14/51/56/1133145156.db2.gz BNAZWIRNDSSVNO-MRXNPFEDSA-N 2 1 326.431 3.746 20 0 EHADMP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1OCc1ccccc1 ZINC001179266350 1133239910 /nfs/dbraw/zinc/23/99/10/1133239910.db2.gz MIFZFVNFNOTDAO-KRWDZBQOSA-N 2 1 342.483 3.704 20 0 EHADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1 ZINC000769381363 1133273344 /nfs/dbraw/zinc/27/33/44/1133273344.db2.gz NOBXSGBVKARFSQ-QFIPXVFZSA-N 2 1 349.522 3.565 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001180082440 1133327165 /nfs/dbraw/zinc/32/71/65/1133327165.db2.gz QAZHNMOIUUBGSD-OAHLLOKOSA-N 2 1 348.512 3.540 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCCCCCC1 ZINC001180311032 1133355687 /nfs/dbraw/zinc/35/56/87/1133355687.db2.gz WGRSAUXLYLDRQO-NRFANRHFSA-N 2 1 330.516 3.846 20 0 EHADMP c1nc(-c2ccccc2)sc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151330245 1133427529 /nfs/dbraw/zinc/42/75/29/1133427529.db2.gz TZCLQTCDVKUKCO-UHFFFAOYSA-N 2 1 336.464 3.527 20 0 EHADMP Cc1cc(C)cc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001181374600 1133481406 /nfs/dbraw/zinc/48/14/06/1133481406.db2.gz ZZMUMFVGSYMVDU-ZRZAMGCNSA-N 2 1 334.507 3.910 20 0 EHADMP Cc1cc(C)cc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001181374600 1133481410 /nfs/dbraw/zinc/48/14/10/1133481410.db2.gz ZZMUMFVGSYMVDU-ZRZAMGCNSA-N 2 1 334.507 3.910 20 0 EHADMP Cc1cc(C)cc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001181374600 1133481414 /nfs/dbraw/zinc/48/14/14/1133481414.db2.gz ZZMUMFVGSYMVDU-ZRZAMGCNSA-N 2 1 334.507 3.910 20 0 EHADMP CC1CC[NH+](Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000774270750 1133651291 /nfs/dbraw/zinc/65/12/91/1133651291.db2.gz HAHVBFJFEVLALC-SEJPIABJSA-N 2 1 327.516 3.956 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288332 1133887466 /nfs/dbraw/zinc/88/74/66/1133887466.db2.gz IVGYNKJTONSOJO-INIZCTEOSA-N 2 1 325.294 3.769 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288332 1133887470 /nfs/dbraw/zinc/88/74/70/1133887470.db2.gz IVGYNKJTONSOJO-INIZCTEOSA-N 2 1 325.294 3.769 20 0 EHADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787269024 1133987174 /nfs/dbraw/zinc/98/71/74/1133987174.db2.gz APRYXZIGCZXQRY-UHFFFAOYSA-N 2 1 346.784 3.781 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787269024 1133987176 /nfs/dbraw/zinc/98/71/76/1133987176.db2.gz APRYXZIGCZXQRY-UHFFFAOYSA-N 2 1 346.784 3.781 20 0 EHADMP Cc1nc(-c2ccccc2)sc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154789383 1134200356 /nfs/dbraw/zinc/20/03/56/1134200356.db2.gz VIDPCOXUTFUKLJ-UHFFFAOYSA-N 2 1 329.513 3.892 20 0 EHADMP CCc1nc(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC001186610702 1134236009 /nfs/dbraw/zinc/23/60/09/1134236009.db2.gz AHAAHNOMQUOLIE-GOSISDBHSA-N 2 1 342.487 3.849 20 0 EHADMP ClC1(Cl)C[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789358728 1134255035 /nfs/dbraw/zinc/25/50/35/1134255035.db2.gz ULRBYEDFBADNES-CYBMUJFWSA-N 2 1 328.287 3.593 20 0 EHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC001170135222 1134415076 /nfs/dbraw/zinc/41/50/76/1134415076.db2.gz GGZINCYIOGPXRT-CRAIPNDOSA-N 2 1 331.504 3.910 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001170206680 1134705665 /nfs/dbraw/zinc/70/56/65/1134705665.db2.gz ADBWLKKCMUJXGE-QZTJIDSGSA-N 2 1 348.556 3.994 20 0 EHADMP CC[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC001170217997 1134709308 /nfs/dbraw/zinc/70/93/08/1134709308.db2.gz DDUCZZDMZAWLQL-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)CC1 ZINC001190650737 1134732946 /nfs/dbraw/zinc/73/29/46/1134732946.db2.gz FZYYJGJFEBWVKS-PMACEKPBSA-N 2 1 334.548 3.922 20 0 EHADMP CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912403 1134769255 /nfs/dbraw/zinc/76/92/55/1134769255.db2.gz CGHMPOZIYZCOAJ-ROUUACIJSA-N 2 1 330.516 3.918 20 0 EHADMP CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912403 1134769262 /nfs/dbraw/zinc/76/92/62/1134769262.db2.gz CGHMPOZIYZCOAJ-ROUUACIJSA-N 2 1 330.516 3.918 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCN2CCc3ccccc32)C1 ZINC001191057540 1134784218 /nfs/dbraw/zinc/78/42/18/1134784218.db2.gz KHNWTYMUHUTXSN-VQTJNVASSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCN2CCc3ccccc32)C1 ZINC001191057540 1134784221 /nfs/dbraw/zinc/78/42/21/1134784221.db2.gz KHNWTYMUHUTXSN-VQTJNVASSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCN2CCc3ccccc32)C1 ZINC001191057540 1134784226 /nfs/dbraw/zinc/78/42/26/1134784226.db2.gz KHNWTYMUHUTXSN-VQTJNVASSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCN2CCc3ccccc32)C1 ZINC001191057538 1134784661 /nfs/dbraw/zinc/78/46/61/1134784661.db2.gz KHNWTYMUHUTXSN-PMACEKPBSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCN2CCc3ccccc32)C1 ZINC001191057538 1134784667 /nfs/dbraw/zinc/78/46/67/1134784667.db2.gz KHNWTYMUHUTXSN-PMACEKPBSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCN2CCc3ccccc32)C1 ZINC001191057538 1134784673 /nfs/dbraw/zinc/78/46/73/1134784673.db2.gz KHNWTYMUHUTXSN-PMACEKPBSA-N 2 1 341.543 3.636 20 0 EHADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001191134498 1134808753 /nfs/dbraw/zinc/80/87/53/1134808753.db2.gz YUPJPJAYONPDRE-NQIIRXRSSA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134498 1134808756 /nfs/dbraw/zinc/80/87/56/1134808756.db2.gz YUPJPJAYONPDRE-NQIIRXRSSA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134498 1134808763 /nfs/dbraw/zinc/80/87/63/1134808763.db2.gz YUPJPJAYONPDRE-NQIIRXRSSA-N 2 1 330.516 3.919 20 0 EHADMP CCC[C@@]1(C)CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254716 1134824680 /nfs/dbraw/zinc/82/46/80/1134824680.db2.gz BKQVSQISXHRHPV-LEWJYISDSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254716 1134824684 /nfs/dbraw/zinc/82/46/84/1134824684.db2.gz BKQVSQISXHRHPV-LEWJYISDSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@@]1(C)CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001191254716 1134824686 /nfs/dbraw/zinc/82/46/86/1134824686.db2.gz BKQVSQISXHRHPV-LEWJYISDSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@@]1(C)CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001191254716 1134824692 /nfs/dbraw/zinc/82/46/92/1134824692.db2.gz BKQVSQISXHRHPV-LEWJYISDSA-N 2 1 330.516 3.526 20 0 EHADMP C[N@@H+](CCOC1CCCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191233931 1134832997 /nfs/dbraw/zinc/83/29/97/1134832997.db2.gz RGFYHMJNMOTXKN-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP C[NH+](CCOC1CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191233931 1134833002 /nfs/dbraw/zinc/83/30/02/1134833002.db2.gz RGFYHMJNMOTXKN-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP C[NH+](CCOC1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191233931 1134833006 /nfs/dbraw/zinc/83/30/06/1134833006.db2.gz RGFYHMJNMOTXKN-HXUWFJFHSA-N 2 1 330.516 3.790 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445278 1134867959 /nfs/dbraw/zinc/86/79/59/1134867959.db2.gz SIRIGODJWFUQMT-UXHICEINSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445278 1134867968 /nfs/dbraw/zinc/86/79/68/1134867968.db2.gz SIRIGODJWFUQMT-UXHICEINSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445278 1134867975 /nfs/dbraw/zinc/86/79/75/1134867975.db2.gz SIRIGODJWFUQMT-UXHICEINSA-N 2 1 334.548 3.922 20 0 EHADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001192003858 1134950825 /nfs/dbraw/zinc/95/08/25/1134950825.db2.gz CSIQPTQQRALBGJ-NYLDSWQDSA-N 2 1 330.516 3.538 20 0 EHADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001192003858 1134950833 /nfs/dbraw/zinc/95/08/33/1134950833.db2.gz CSIQPTQQRALBGJ-NYLDSWQDSA-N 2 1 330.516 3.538 20 0 EHADMP Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531113 1134959704 /nfs/dbraw/zinc/95/97/04/1134959704.db2.gz CSBCSOITBADDLB-MPGHIAIKSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531113 1134959708 /nfs/dbraw/zinc/95/97/08/1134959708.db2.gz CSBCSOITBADDLB-MPGHIAIKSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531113 1134959712 /nfs/dbraw/zinc/95/97/12/1134959712.db2.gz CSBCSOITBADDLB-MPGHIAIKSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531113 1134959715 /nfs/dbraw/zinc/95/97/15/1134959715.db2.gz CSBCSOITBADDLB-MPGHIAIKSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205579174 1134968465 /nfs/dbraw/zinc/96/84/65/1134968465.db2.gz KZNFDMSOEDYKKU-HNNXBMFYSA-N 2 1 347.247 3.550 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC001192918894 1135073492 /nfs/dbraw/zinc/07/34/92/1135073492.db2.gz PRVJLYDVKQEFAN-IRXDYDNUSA-N 2 1 344.421 3.680 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205627071 1135121072 /nfs/dbraw/zinc/12/10/72/1135121072.db2.gz MJGXKPCPWJKFED-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205627071 1135121076 /nfs/dbraw/zinc/12/10/76/1135121076.db2.gz MJGXKPCPWJKFED-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205638101 1135153802 /nfs/dbraw/zinc/15/38/02/1135153802.db2.gz LJIJJTHKBBHRQE-QWRGUYRKSA-N 2 1 335.801 3.561 20 0 EHADMP c1cc(C[N@H+]2CCOC[C@H]2C2CCC2)ccc1C[NH+]1CCCCC1 ZINC001195438646 1135429677 /nfs/dbraw/zinc/42/96/77/1135429677.db2.gz FDXLUONMDJAARO-NRFANRHFSA-N 2 1 328.500 3.673 20 0 EHADMP Fc1cccc(Cl)c1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195535496 1135437729 /nfs/dbraw/zinc/43/77/29/1135437729.db2.gz KCGXUTGQNIFINA-UHFFFAOYSA-N 2 1 333.838 3.629 20 0 EHADMP CC(C)c1cn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=S)n1C ZINC000747456218 1135619559 /nfs/dbraw/zinc/61/95/59/1135619559.db2.gz FWJXUQAMNFTAFU-UHFFFAOYSA-N 2 1 338.565 3.689 20 0 EHADMP CC(C)c1cn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=S)n1C ZINC000747456218 1135619562 /nfs/dbraw/zinc/61/95/62/1135619562.db2.gz FWJXUQAMNFTAFU-UHFFFAOYSA-N 2 1 338.565 3.689 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000544579681 1135624150 /nfs/dbraw/zinc/62/41/50/1135624150.db2.gz AOAJPVXIFCGWEP-WIYYLYMNSA-N 2 1 338.499 3.810 20 0 EHADMP COc1ccc(COCC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC001197582097 1135710302 /nfs/dbraw/zinc/71/03/02/1135710302.db2.gz HMSMEULPXHTLBL-UHFFFAOYSA-N 2 1 346.515 3.552 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767966 1135880495 /nfs/dbraw/zinc/88/04/95/1135880495.db2.gz ZAZNHKXSEVDMMA-GOEBONIOSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767966 1135880496 /nfs/dbraw/zinc/88/04/96/1135880496.db2.gz ZAZNHKXSEVDMMA-GOEBONIOSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767966 1135880498 /nfs/dbraw/zinc/88/04/98/1135880498.db2.gz ZAZNHKXSEVDMMA-GOEBONIOSA-N 2 1 326.456 3.917 20 0 EHADMP COc1ccc([C@H](C)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809737116 1135882206 /nfs/dbraw/zinc/88/22/06/1135882206.db2.gz DQTIGBKUGJPACV-QGZVFWFLSA-N 2 1 326.484 3.992 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000809738771 1135883442 /nfs/dbraw/zinc/88/34/42/1135883442.db2.gz IYAZWXFASIXFKR-UHFFFAOYSA-N 2 1 340.496 3.832 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1F ZINC001199666540 1135918060 /nfs/dbraw/zinc/91/80/60/1135918060.db2.gz BZLCXLKUUJOFPO-QFBILLFUSA-N 2 1 331.435 3.613 20 0 EHADMP O[C@H](C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)c1ccco1 ZINC000776100778 1135956074 /nfs/dbraw/zinc/95/60/74/1135956074.db2.gz AIZIVFOKZQSUEF-HXUWFJFHSA-N 2 1 342.483 3.691 20 0 EHADMP O[C@H](C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)c1ccco1 ZINC000776100778 1135956077 /nfs/dbraw/zinc/95/60/77/1135956077.db2.gz AIZIVFOKZQSUEF-HXUWFJFHSA-N 2 1 342.483 3.691 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC001200924094 1135966268 /nfs/dbraw/zinc/96/62/68/1135966268.db2.gz ZUQYTJAONHQGLP-WIYYLYMNSA-N 2 1 341.543 3.819 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001201411746 1136016347 /nfs/dbraw/zinc/01/63/47/1136016347.db2.gz RUBNFQVMTAKBMR-RBUKOAKNSA-N 2 1 344.499 3.691 20 0 EHADMP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510104 1136030639 /nfs/dbraw/zinc/03/06/39/1136030639.db2.gz XPTWOVWISNYDAS-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@H](C)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510104 1136030643 /nfs/dbraw/zinc/03/06/43/1136030643.db2.gz XPTWOVWISNYDAS-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@H](C)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510104 1136030647 /nfs/dbraw/zinc/03/06/47/1136030647.db2.gz XPTWOVWISNYDAS-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@H](C)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510104 1136030650 /nfs/dbraw/zinc/03/06/50/1136030650.db2.gz XPTWOVWISNYDAS-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP CCC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201541097 1136033903 /nfs/dbraw/zinc/03/39/03/1136033903.db2.gz CFBCAPZCEJCULB-KRWDZBQOSA-N 2 1 336.545 3.851 20 0 EHADMP CCC(CC)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201526343 1136038548 /nfs/dbraw/zinc/03/85/48/1136038548.db2.gz YBFHSWBKTNEMLP-SFHVURJKSA-N 2 1 334.504 3.771 20 0 EHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CCCSC)CC3)c1 ZINC001201687736 1136056740 /nfs/dbraw/zinc/05/67/40/1136056740.db2.gz BHTAHCWPKFCSSG-UHFFFAOYSA-N 2 1 348.556 3.736 20 0 EHADMP FC(F)(F)CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202441386 1136144377 /nfs/dbraw/zinc/14/43/77/1136144377.db2.gz CMRCZAAKLUQAAA-SJORKVTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202441386 1136144379 /nfs/dbraw/zinc/14/43/79/1136144379.db2.gz CMRCZAAKLUQAAA-SJORKVTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202441386 1136144382 /nfs/dbraw/zinc/14/43/82/1136144382.db2.gz CMRCZAAKLUQAAA-SJORKVTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001202441383 1136144513 /nfs/dbraw/zinc/14/45/13/1136144513.db2.gz CMRCZAAKLUQAAA-DLBZAZTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202441383 1136144517 /nfs/dbraw/zinc/14/45/17/1136144517.db2.gz CMRCZAAKLUQAAA-DLBZAZTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202441383 1136144518 /nfs/dbraw/zinc/14/45/18/1136144518.db2.gz CMRCZAAKLUQAAA-DLBZAZTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001202433547 1136147825 /nfs/dbraw/zinc/14/78/25/1136147825.db2.gz RVVDBPMTNSRGHR-UHFFFAOYSA-N 2 1 326.406 3.852 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H](O)c4ccccc43)CC2)C1 ZINC000850529016 1136279507 /nfs/dbraw/zinc/27/95/07/1136279507.db2.gz MURBDSIYFBDOLT-UWGQAIRJSA-N 2 1 328.500 3.798 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000813631049 1136354542 /nfs/dbraw/zinc/35/45/42/1136354542.db2.gz USBOHAZASRAGOC-HNNXBMFYSA-N 2 1 325.456 3.554 20 0 EHADMP C[C@@H](C[C@H]1CCOC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813881845 1136371738 /nfs/dbraw/zinc/37/17/38/1136371738.db2.gz WGTWCASFOPHANS-PAMCTJKJSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCOC1 ZINC000813881651 1136371818 /nfs/dbraw/zinc/37/18/18/1136371818.db2.gz RKKWOUNRAUSCSN-FDKRGKGCSA-N 2 1 342.527 3.977 20 0 EHADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000851813206 1136410983 /nfs/dbraw/zinc/41/09/83/1136410983.db2.gz QOAINMPWLQPCJP-UWHLTILDSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000851813206 1136410986 /nfs/dbraw/zinc/41/09/86/1136410986.db2.gz QOAINMPWLQPCJP-UWHLTILDSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000851813206 1136410990 /nfs/dbraw/zinc/41/09/90/1136410990.db2.gz QOAINMPWLQPCJP-UWHLTILDSA-N 2 1 328.500 3.540 20 0 EHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170732321 1136417496 /nfs/dbraw/zinc/41/74/96/1136417496.db2.gz YHXXHIUPPHEDAU-NUZGMZIFSA-N 2 1 342.527 3.726 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000815022204 1136538783 /nfs/dbraw/zinc/53/87/83/1136538783.db2.gz ZYHHKEVWPFKGKG-LJQANCHMSA-N 2 1 344.499 3.910 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055028 1136540330 /nfs/dbraw/zinc/54/03/30/1136540330.db2.gz UOXNHSNESTWNFT-RXVVDRJESA-N 2 1 326.484 3.679 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055028 1136540332 /nfs/dbraw/zinc/54/03/32/1136540332.db2.gz UOXNHSNESTWNFT-RXVVDRJESA-N 2 1 326.484 3.679 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055028 1136540334 /nfs/dbraw/zinc/54/03/34/1136540334.db2.gz UOXNHSNESTWNFT-RXVVDRJESA-N 2 1 326.484 3.679 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc2ccccc21 ZINC000815055028 1136540338 /nfs/dbraw/zinc/54/03/38/1136540338.db2.gz UOXNHSNESTWNFT-RXVVDRJESA-N 2 1 326.484 3.679 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)C[C@H]1C ZINC000815057652 1136541965 /nfs/dbraw/zinc/54/19/65/1136541965.db2.gz WOAVSXFMGNTMGO-BLIXFSHQSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@H]1C ZINC000815057652 1136541967 /nfs/dbraw/zinc/54/19/67/1136541967.db2.gz WOAVSXFMGNTMGO-BLIXFSHQSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@H]1C ZINC000815057652 1136541969 /nfs/dbraw/zinc/54/19/69/1136541969.db2.gz WOAVSXFMGNTMGO-BLIXFSHQSA-N 2 1 326.484 3.678 20 0 EHADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000854222221 1136599075 /nfs/dbraw/zinc/59/90/75/1136599075.db2.gz DGNAATYWGRQZTC-HJWJTTGWSA-N 2 1 344.396 3.982 20 0 EHADMP [NH3+]C1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170798449 1136630860 /nfs/dbraw/zinc/63/08/60/1136630860.db2.gz ARFSTRMOEYMRDC-MRXNPFEDSA-N 2 1 342.405 3.524 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CCCOCC2)CC1 ZINC001170801155 1136635943 /nfs/dbraw/zinc/63/59/43/1136635943.db2.gz POCCTKYGBPMHIZ-FHWLQOOXSA-N 2 1 336.907 3.981 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(C(C)C)C(C)C)C2)ccn1 ZINC000856551789 1136794413 /nfs/dbraw/zinc/79/44/13/1136794413.db2.gz ZRPREQRSWUPDHY-HXUWFJFHSA-N 2 1 347.547 3.915 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(C(C)C)C(C)C)C2)ccn1 ZINC000856551789 1136794414 /nfs/dbraw/zinc/79/44/14/1136794414.db2.gz ZRPREQRSWUPDHY-HXUWFJFHSA-N 2 1 347.547 3.915 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(C(C)C)C(C)C)C2)ccn1 ZINC000856551789 1136794416 /nfs/dbraw/zinc/79/44/16/1136794416.db2.gz ZRPREQRSWUPDHY-HXUWFJFHSA-N 2 1 347.547 3.915 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccs3)C2)ccn1 ZINC000856560291 1136795720 /nfs/dbraw/zinc/79/57/20/1136795720.db2.gz HAONNLSIFYILSA-SFHVURJKSA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccs3)C2)ccn1 ZINC000856560291 1136795723 /nfs/dbraw/zinc/79/57/23/1136795723.db2.gz HAONNLSIFYILSA-SFHVURJKSA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000856560291 1136795725 /nfs/dbraw/zinc/79/57/25/1136795725.db2.gz HAONNLSIFYILSA-SFHVURJKSA-N 2 1 345.512 3.637 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000817906040 1136845169 /nfs/dbraw/zinc/84/51/69/1136845169.db2.gz XDHRECWUGLKJCS-IKGGRYGDSA-N 2 1 337.250 3.761 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](O)c1c(F)cccc1F ZINC000817916733 1136845853 /nfs/dbraw/zinc/84/58/53/1136845853.db2.gz BECYFHFESMKZAM-NTDBWNAOSA-N 2 1 332.394 3.511 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819078547 1136911312 /nfs/dbraw/zinc/91/13/12/1136911312.db2.gz JIQPICUSSUHCOI-IERDGZPVSA-N 2 1 342.458 3.674 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819183749 1136920423 /nfs/dbraw/zinc/92/04/23/1136920423.db2.gz YRXARTSXIQBUJZ-AVRDEDQJSA-N 2 1 340.511 3.831 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857909812 1136921140 /nfs/dbraw/zinc/92/11/40/1136921140.db2.gz BSRZXCIQEYMGIU-JLJPHGGASA-N 2 1 333.907 3.965 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857909812 1136921143 /nfs/dbraw/zinc/92/11/43/1136921143.db2.gz BSRZXCIQEYMGIU-JLJPHGGASA-N 2 1 333.907 3.965 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C[C@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189254 1136921564 /nfs/dbraw/zinc/92/15/64/1136921564.db2.gz FWPLWJNDQIDMOW-DWLFOUALSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C[C@@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189258 1136921874 /nfs/dbraw/zinc/92/18/74/1136921874.db2.gz FWPLWJNDQIDMOW-RCZSKKKRSA-N 2 1 338.495 3.610 20 0 EHADMP OCc1cc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000858347397 1136960373 /nfs/dbraw/zinc/96/03/73/1136960373.db2.gz XJAHCLOVFPTGFD-QGZVFWFLSA-N 2 1 349.837 3.615 20 0 EHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858394293 1136964315 /nfs/dbraw/zinc/96/43/15/1136964315.db2.gz KYPBWPYHOJXOML-GOSISDBHSA-N 2 1 344.547 3.502 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001170949842 1136997132 /nfs/dbraw/zinc/99/71/32/1136997132.db2.gz OZNBXZZVWTXGHE-ICSRJNTNSA-N 2 1 338.470 3.795 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170968290 1137032851 /nfs/dbraw/zinc/03/28/51/1137032851.db2.gz CODNODDXGHJSJY-LPHOPBHVSA-N 2 1 326.459 3.780 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(Cl)c(F)c1 ZINC000859996455 1137040120 /nfs/dbraw/zinc/04/01/20/1137040120.db2.gz BSCHYXCYKVEFKF-UHFFFAOYSA-N 2 1 335.854 3.958 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170986690 1137058596 /nfs/dbraw/zinc/05/85/96/1137058596.db2.gz NYWKMAGJACFJPH-QGZVFWFLSA-N 2 1 339.458 3.625 20 0 EHADMP CS[C@H]1CC[C@@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000822446317 1137060138 /nfs/dbraw/zinc/06/01/38/1137060138.db2.gz DQKYZURISVENQQ-OALUTQOASA-N 2 1 333.545 3.771 20 0 EHADMP Cc1c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862299615 1137137881 /nfs/dbraw/zinc/13/78/81/1137137881.db2.gz DRQAKKGBXPKPGQ-LPHOPBHVSA-N 2 1 327.447 3.529 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066022 1137152048 /nfs/dbraw/zinc/15/20/48/1137152048.db2.gz FRWWDIZBYMXRHA-GJZGRUSLSA-N 2 1 327.299 3.925 20 0 EHADMP CCOc1ccc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1F ZINC001143946122 1137217183 /nfs/dbraw/zinc/21/71/83/1137217183.db2.gz AMIOZBBEOUKEOJ-UHFFFAOYSA-N 2 1 338.442 3.671 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188376 1137251591 /nfs/dbraw/zinc/25/15/91/1137251591.db2.gz YIQKPSBWTMBOHQ-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188376 1137251593 /nfs/dbraw/zinc/25/15/93/1137251593.db2.gz YIQKPSBWTMBOHQ-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188376 1137251595 /nfs/dbraw/zinc/25/15/95/1137251595.db2.gz YIQKPSBWTMBOHQ-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144188376 1137251597 /nfs/dbraw/zinc/25/15/97/1137251597.db2.gz YIQKPSBWTMBOHQ-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP Clc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000866527501 1137361349 /nfs/dbraw/zinc/36/13/49/1137361349.db2.gz JGOZPZRTAWQRPC-IBGZPJMESA-N 2 1 348.918 3.605 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000846759149 1137363770 /nfs/dbraw/zinc/36/37/70/1137363770.db2.gz LDKLGYLXOQFSTR-QGZVFWFLSA-N 2 1 333.863 3.550 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000846759149 1137363772 /nfs/dbraw/zinc/36/37/72/1137363772.db2.gz LDKLGYLXOQFSTR-QGZVFWFLSA-N 2 1 333.863 3.550 20 0 EHADMP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000866707028 1137374862 /nfs/dbraw/zinc/37/48/62/1137374862.db2.gz GRAGXXKEGCDUNQ-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccccc1-c1nc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000866707028 1137374864 /nfs/dbraw/zinc/37/48/64/1137374864.db2.gz GRAGXXKEGCDUNQ-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121714176 1137382691 /nfs/dbraw/zinc/38/26/91/1137382691.db2.gz DLAPAYULIRKGFT-HXUWFJFHSA-N 2 1 343.559 3.548 20 0 EHADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(-c2cnn(C)c2)c1 ZINC000282758723 1137445985 /nfs/dbraw/zinc/44/59/85/1137445985.db2.gz VTXALDXRDUUKTB-IHWFROFDSA-N 2 1 338.499 3.500 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712501005 1137468208 /nfs/dbraw/zinc/46/82/08/1137468208.db2.gz FNMZEKBVJRVDPI-YSIASYRMSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220482 1137475922 /nfs/dbraw/zinc/47/59/22/1137475922.db2.gz SEOYUAAGXFZMIT-DWOCFRCJSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220482 1137475924 /nfs/dbraw/zinc/47/59/24/1137475924.db2.gz SEOYUAAGXFZMIT-DWOCFRCJSA-N 3 1 343.559 3.750 20 0 EHADMP Clc1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)s1 ZINC000716627620 1137488011 /nfs/dbraw/zinc/48/80/11/1137488011.db2.gz SAARTAIPJHXYNX-JYJNAYRXSA-N 2 1 347.915 3.939 20 0 EHADMP Clc1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716627620 1137488012 /nfs/dbraw/zinc/48/80/12/1137488012.db2.gz SAARTAIPJHXYNX-JYJNAYRXSA-N 2 1 347.915 3.939 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CCO2 ZINC001171624348 1137501261 /nfs/dbraw/zinc/50/12/61/1137501261.db2.gz RJWFKNITTFMWED-KRWDZBQOSA-N 2 1 332.488 3.760 20 0 EHADMP COc1ncccc1[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C1CC1 ZINC001171627009 1137501474 /nfs/dbraw/zinc/50/14/74/1137501474.db2.gz ISNZBRLOKZMVOX-KRWDZBQOSA-N 2 1 331.504 3.782 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C2CC2)nc1 ZINC001171627118 1137501504 /nfs/dbraw/zinc/50/15/04/1137501504.db2.gz KRCVIUWOWGAZHG-SFHVURJKSA-N 2 1 331.504 3.782 20 0 EHADMP COC(=O)CC[N@@H+](Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637378 1137504270 /nfs/dbraw/zinc/50/42/70/1137504270.db2.gz LPISHXPCZIKNIG-UHFFFAOYSA-N 2 1 346.515 3.703 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC1(C)C ZINC001171639424 1137504903 /nfs/dbraw/zinc/50/49/03/1137504903.db2.gz JOFKATTVFMSLAK-UHFFFAOYSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC1(C)C ZINC001171639424 1137504904 /nfs/dbraw/zinc/50/49/04/1137504904.db2.gz JOFKATTVFMSLAK-UHFFFAOYSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@H]1CN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001171643936 1137505077 /nfs/dbraw/zinc/50/50/77/1137505077.db2.gz YNTWTYAOUUFISR-SFHVURJKSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC001171643936 1137505079 /nfs/dbraw/zinc/50/50/79/1137505079.db2.gz YNTWTYAOUUFISR-SFHVURJKSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC001171643936 1137505081 /nfs/dbraw/zinc/50/50/81/1137505081.db2.gz YNTWTYAOUUFISR-SFHVURJKSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@@H]1C[C@H](n2ccc3cc(CC[NH3+])ccc32)C[N@H+]1Cc1ccccc1 ZINC001171733723 1137507192 /nfs/dbraw/zinc/50/71/92/1137507192.db2.gz YGRSKECQCBOIDA-UTKZUKDTSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746427 1137508274 /nfs/dbraw/zinc/50/82/74/1137508274.db2.gz NLTHGHNOOGMFCN-KNQAVFIVSA-N 2 1 341.543 3.600 20 0 EHADMP CCCC[NH+]1CCC(N(C)[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171768242 1137509234 /nfs/dbraw/zinc/50/92/34/1137509234.db2.gz SVPRUMNZENCMRB-UGKGYDQZSA-N 2 1 343.559 3.846 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](CC(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738185 1137510745 /nfs/dbraw/zinc/51/07/45/1137510745.db2.gz GTUCZOHCRMQGDA-NQIIRXRSSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]([C@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171738379 1137510840 /nfs/dbraw/zinc/51/08/40/1137510840.db2.gz IOICFCICXNVHBX-VMXMFDLUSA-N 2 1 329.532 3.630 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870868387 1137513663 /nfs/dbraw/zinc/51/36/63/1137513663.db2.gz FOGAVTJKTGIXAP-QAQDUYKDSA-N 2 1 340.471 3.511 20 0 EHADMP O[C@]1(C[NH+]2CCC3(CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001171835398 1137515364 /nfs/dbraw/zinc/51/53/64/1137515364.db2.gz XHGHVRVWBIUXRC-QFIPXVFZSA-N 2 1 342.527 3.670 20 0 EHADMP O[C@]1(C[NH+]2CCC3(CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001171835398 1137515365 /nfs/dbraw/zinc/51/53/65/1137515365.db2.gz XHGHVRVWBIUXRC-QFIPXVFZSA-N 2 1 342.527 3.670 20 0 EHADMP CC1(C)C[C@@H](NCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966255 1137520307 /nfs/dbraw/zinc/52/03/07/1137520307.db2.gz UJNJOEHNDBOJAK-FQEVSTJZSA-N 2 1 329.532 3.505 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171966255 1137520309 /nfs/dbraw/zinc/52/03/09/1137520309.db2.gz UJNJOEHNDBOJAK-FQEVSTJZSA-N 2 1 329.532 3.505 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966255 1137520311 /nfs/dbraw/zinc/52/03/11/1137520311.db2.gz UJNJOEHNDBOJAK-FQEVSTJZSA-N 2 1 329.532 3.505 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967497 1137520908 /nfs/dbraw/zinc/52/09/08/1137520908.db2.gz ANGJQABVFMCXHQ-VQTJNVASSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967497 1137520909 /nfs/dbraw/zinc/52/09/09/1137520909.db2.gz ANGJQABVFMCXHQ-VQTJNVASSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967497 1137520910 /nfs/dbraw/zinc/52/09/10/1137520910.db2.gz ANGJQABVFMCXHQ-VQTJNVASSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970273 1137523683 /nfs/dbraw/zinc/52/36/83/1137523683.db2.gz ZXDRLRXODLDTMD-IBGZPJMESA-N 2 1 340.515 3.570 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970273 1137523685 /nfs/dbraw/zinc/52/36/85/1137523685.db2.gz ZXDRLRXODLDTMD-IBGZPJMESA-N 2 1 340.515 3.570 20 0 EHADMP CC1(C)C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974749 1137524581 /nfs/dbraw/zinc/52/45/81/1137524581.db2.gz AGJYBVDPGSQMLR-DENIHFKCSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974749 1137524582 /nfs/dbraw/zinc/52/45/82/1137524582.db2.gz AGJYBVDPGSQMLR-DENIHFKCSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974749 1137524583 /nfs/dbraw/zinc/52/45/83/1137524583.db2.gz AGJYBVDPGSQMLR-DENIHFKCSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974749 1137524584 /nfs/dbraw/zinc/52/45/84/1137524584.db2.gz AGJYBVDPGSQMLR-DENIHFKCSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974583 1137524750 /nfs/dbraw/zinc/52/47/50/1137524750.db2.gz HZXVFQBGZVEYLQ-UXHICEINSA-N 2 1 349.522 3.992 20 0 EHADMP CC1(C)C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974765 1137524775 /nfs/dbraw/zinc/52/47/75/1137524775.db2.gz AGJYBVDPGSQMLR-UGKGYDQZSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974765 1137524777 /nfs/dbraw/zinc/52/47/77/1137524777.db2.gz AGJYBVDPGSQMLR-UGKGYDQZSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974765 1137524779 /nfs/dbraw/zinc/52/47/79/1137524779.db2.gz AGJYBVDPGSQMLR-UGKGYDQZSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974765 1137524781 /nfs/dbraw/zinc/52/47/81/1137524781.db2.gz AGJYBVDPGSQMLR-UGKGYDQZSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@H](N2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976355 1137525372 /nfs/dbraw/zinc/52/53/72/1137525372.db2.gz KIJYHFVFVMWFBC-OAQYLSRUSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H](CO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC001171982772 1137526802 /nfs/dbraw/zinc/52/68/02/1137526802.db2.gz LBQPBDYDCQEDGV-MSOLQXFVSA-N 2 1 344.524 3.814 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H](CO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC001171982772 1137526804 /nfs/dbraw/zinc/52/68/04/1137526804.db2.gz LBQPBDYDCQEDGV-MSOLQXFVSA-N 2 1 344.524 3.814 20 0 EHADMP C[NH+](C)CCC(C)(C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983969 1137527019 /nfs/dbraw/zinc/52/70/19/1137527019.db2.gz RBOXLJHNWRVNPO-LJQANCHMSA-N 2 1 331.548 3.750 20 0 EHADMP CN(CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984136 1137527179 /nfs/dbraw/zinc/52/71/79/1137527179.db2.gz IHVXWJMBGCCREM-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP C[N@@H+](CC1(C)COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075141 1137530606 /nfs/dbraw/zinc/53/06/06/1137530606.db2.gz ODAXHBHINNWJLR-ACDBMABISA-N 2 1 328.500 3.540 20 0 EHADMP C[NH+](CC1(C)COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075141 1137530607 /nfs/dbraw/zinc/53/06/07/1137530607.db2.gz ODAXHBHINNWJLR-ACDBMABISA-N 2 1 328.500 3.540 20 0 EHADMP C[NH+](CC1(C)COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075141 1137530609 /nfs/dbraw/zinc/53/06/09/1137530609.db2.gz ODAXHBHINNWJLR-ACDBMABISA-N 2 1 328.500 3.540 20 0 EHADMP C[N@H+]1CCC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172063082 1137532782 /nfs/dbraw/zinc/53/27/82/1137532782.db2.gz WDVNLDHBDOIGRD-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063082 1137532784 /nfs/dbraw/zinc/53/27/84/1137532784.db2.gz WDVNLDHBDOIGRD-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063082 1137532786 /nfs/dbraw/zinc/53/27/86/1137532786.db2.gz WDVNLDHBDOIGRD-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(Br)cc1)C2 ZINC001172100737 1137533072 /nfs/dbraw/zinc/53/30/72/1137533072.db2.gz SFHUMLPKFUKPCL-OSYLJGHBSA-N 2 1 337.305 3.597 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067094 1137533472 /nfs/dbraw/zinc/53/34/72/1137533472.db2.gz ALRGGTRXQRCGFK-YYDGMXKLSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067094 1137533473 /nfs/dbraw/zinc/53/34/73/1137533473.db2.gz ALRGGTRXQRCGFK-YYDGMXKLSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067094 1137533474 /nfs/dbraw/zinc/53/34/74/1137533474.db2.gz ALRGGTRXQRCGFK-YYDGMXKLSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067094 1137533475 /nfs/dbraw/zinc/53/34/75/1137533475.db2.gz ALRGGTRXQRCGFK-YYDGMXKLSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1CO ZINC001172067502 1137533482 /nfs/dbraw/zinc/53/34/82/1137533482.db2.gz CPQXIHRBLROCOA-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1CO ZINC001172067502 1137533483 /nfs/dbraw/zinc/53/34/83/1137533483.db2.gz CPQXIHRBLROCOA-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1CO ZINC001172067502 1137533484 /nfs/dbraw/zinc/53/34/84/1137533484.db2.gz CPQXIHRBLROCOA-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1CO ZINC001172067502 1137533485 /nfs/dbraw/zinc/53/34/85/1137533485.db2.gz CPQXIHRBLROCOA-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065917 1137533616 /nfs/dbraw/zinc/53/36/16/1137533616.db2.gz BMMRWGOCTBRYKK-NUZGMZIFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065917 1137533618 /nfs/dbraw/zinc/53/36/18/1137533618.db2.gz BMMRWGOCTBRYKK-NUZGMZIFSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067091 1137533720 /nfs/dbraw/zinc/53/37/20/1137533720.db2.gz ALRGGTRXQRCGFK-KMKNWIINSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067091 1137533722 /nfs/dbraw/zinc/53/37/22/1137533722.db2.gz ALRGGTRXQRCGFK-KMKNWIINSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067091 1137533724 /nfs/dbraw/zinc/53/37/24/1137533724.db2.gz ALRGGTRXQRCGFK-KMKNWIINSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067091 1137533726 /nfs/dbraw/zinc/53/37/26/1137533726.db2.gz ALRGGTRXQRCGFK-KMKNWIINSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067563 1137534172 /nfs/dbraw/zinc/53/41/72/1137534172.db2.gz GRNKLOFTNOWMLJ-MLZLACJZSA-N 2 1 328.500 3.729 20 0 EHADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067776 1137534340 /nfs/dbraw/zinc/53/43/40/1137534340.db2.gz NUBXQHBCRMUZBS-KOUNCHBCSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172067776 1137534342 /nfs/dbraw/zinc/53/43/42/1137534342.db2.gz NUBXQHBCRMUZBS-KOUNCHBCSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067895 1137534376 /nfs/dbraw/zinc/53/43/76/1137534376.db2.gz GIIPOOIHMVNGBL-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067895 1137534378 /nfs/dbraw/zinc/53/43/78/1137534378.db2.gz GIIPOOIHMVNGBL-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067895 1137534380 /nfs/dbraw/zinc/53/43/80/1137534380.db2.gz GIIPOOIHMVNGBL-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172067895 1137534382 /nfs/dbraw/zinc/53/43/82/1137534382.db2.gz GIIPOOIHMVNGBL-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP OC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172067588 1137534578 /nfs/dbraw/zinc/53/45/78/1137534578.db2.gz HFCBHBPECPESHZ-MZADTFQBSA-N 2 1 342.527 3.857 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129077 1137535356 /nfs/dbraw/zinc/53/53/56/1137535356.db2.gz VYVJGOPZCQQGMI-FUMNGEBKSA-N 2 1 348.918 3.903 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129077 1137535358 /nfs/dbraw/zinc/53/53/58/1137535358.db2.gz VYVJGOPZCQQGMI-FUMNGEBKSA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129077 1137535360 /nfs/dbraw/zinc/53/53/60/1137535360.db2.gz VYVJGOPZCQQGMI-FUMNGEBKSA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129077 1137535361 /nfs/dbraw/zinc/53/53/61/1137535361.db2.gz VYVJGOPZCQQGMI-FUMNGEBKSA-N 2 1 348.918 3.903 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001172107408 1137536975 /nfs/dbraw/zinc/53/69/75/1137536975.db2.gz XCMFGZBWPZBIOY-MUJYYYPQSA-N 2 1 342.405 3.733 20 0 EHADMP COc1ccc([C@H]2CSCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172121233 1137538330 /nfs/dbraw/zinc/53/83/30/1137538330.db2.gz CSNGTBWOZWSVAZ-DOADOZAASA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172121233 1137538332 /nfs/dbraw/zinc/53/83/32/1137538332.db2.gz CSNGTBWOZWSVAZ-DOADOZAASA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172121233 1137538333 /nfs/dbraw/zinc/53/83/33/1137538333.db2.gz CSNGTBWOZWSVAZ-DOADOZAASA-N 2 1 346.540 3.800 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172223521 1137542150 /nfs/dbraw/zinc/54/21/50/1137542150.db2.gz ZHDUFLVOPGVWGE-LJRDSGNISA-N 2 1 332.463 3.608 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C[C@H]1C ZINC001172367779 1137555091 /nfs/dbraw/zinc/55/50/91/1137555091.db2.gz NEGTUOLWDHUESY-FTSHXLFYSA-N 2 1 347.591 3.740 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCC2 ZINC000872017689 1137564755 /nfs/dbraw/zinc/56/47/55/1137564755.db2.gz DBUNGEFZCSDGQG-LJQANCHMSA-N 2 1 344.499 3.688 20 0 EHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000872155152 1137574020 /nfs/dbraw/zinc/57/40/20/1137574020.db2.gz MWCBSAITIKGBSS-UHFFFAOYSA-N 2 1 339.483 3.890 20 0 EHADMP c1c(C[N@H+]2CCS[C@H](c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873204456 1137594006 /nfs/dbraw/zinc/59/40/06/1137594006.db2.gz CCWWNJGBLYDPKK-SFHVURJKSA-N 2 1 330.522 3.684 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762904 1137660690 /nfs/dbraw/zinc/66/06/90/1137660690.db2.gz BMQGFEQSSUFANP-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762904 1137660691 /nfs/dbraw/zinc/66/06/91/1137660691.db2.gz BMQGFEQSSUFANP-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762904 1137660692 /nfs/dbraw/zinc/66/06/92/1137660692.db2.gz BMQGFEQSSUFANP-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762904 1137660693 /nfs/dbraw/zinc/66/06/93/1137660693.db2.gz BMQGFEQSSUFANP-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762904 1137660694 /nfs/dbraw/zinc/66/06/94/1137660694.db2.gz BMQGFEQSSUFANP-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762904 1137660695 /nfs/dbraw/zinc/66/06/95/1137660695.db2.gz BMQGFEQSSUFANP-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000876766048 1137660894 /nfs/dbraw/zinc/66/08/94/1137660894.db2.gz ZZGBJVDJYXFIPV-DGCLKSJQSA-N 2 1 334.357 3.639 20 0 EHADMP CC[N@@H+](c1ccc(NC2CC[NH+](CC(C)(C)O)CC2)cc1)C(C)C ZINC000876820145 1137662683 /nfs/dbraw/zinc/66/26/83/1137662683.db2.gz KVKQCDQGLFINIK-UHFFFAOYSA-N 2 1 333.520 3.569 20 0 EHADMP CC[N@H+](c1ccc(NC2CC[NH+](CC(C)(C)O)CC2)cc1)C(C)C ZINC000876820145 1137662684 /nfs/dbraw/zinc/66/26/84/1137662684.db2.gz KVKQCDQGLFINIK-UHFFFAOYSA-N 2 1 333.520 3.569 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000876969452 1137666513 /nfs/dbraw/zinc/66/65/13/1137666513.db2.gz PVCDSQZDMMNHBM-NZYYMUPHSA-N 2 1 332.469 3.665 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007565 1137667489 /nfs/dbraw/zinc/66/74/89/1137667489.db2.gz WFFAIJNOBOMNGD-QGZVFWFLSA-N 2 1 343.902 3.576 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007565 1137667490 /nfs/dbraw/zinc/66/74/90/1137667490.db2.gz WFFAIJNOBOMNGD-QGZVFWFLSA-N 2 1 343.902 3.576 20 0 EHADMP Fc1cccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000877114975 1137670376 /nfs/dbraw/zinc/67/03/76/1137670376.db2.gz FYQZVFJKFIBVQP-APWZRJJASA-N 2 1 325.431 3.678 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)cn1 ZINC000126516761 1137675707 /nfs/dbraw/zinc/67/57/07/1137675707.db2.gz UBDDASDVTQWEKF-NRFANRHFSA-N 2 1 346.478 3.995 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COC4(CCC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000877628675 1137683556 /nfs/dbraw/zinc/68/35/56/1137683556.db2.gz LTOZQBOQSGSJDQ-GGPKGHCWSA-N 2 1 326.484 3.656 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COC4(CCC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000877628675 1137683557 /nfs/dbraw/zinc/68/35/57/1137683557.db2.gz LTOZQBOQSGSJDQ-GGPKGHCWSA-N 2 1 326.484 3.656 20 0 EHADMP CC(C)C[N@H+](Cc1c(Cl)nc(Cl)n1C)CC1CC[NH+](C)CC1 ZINC000877767367 1137688964 /nfs/dbraw/zinc/68/89/64/1137688964.db2.gz GISVSXLMOJZURD-UHFFFAOYSA-N 2 1 347.334 3.527 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878159421 1137705095 /nfs/dbraw/zinc/70/50/95/1137705095.db2.gz LQYZKMRCTCCQSH-JBACZVJFSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878159421 1137705096 /nfs/dbraw/zinc/70/50/96/1137705096.db2.gz LQYZKMRCTCCQSH-JBACZVJFSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878159421 1137705097 /nfs/dbraw/zinc/70/50/97/1137705097.db2.gz LQYZKMRCTCCQSH-JBACZVJFSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CC[C@H](c4ccccc4)O3)C2)CC1 ZINC000878549794 1137719945 /nfs/dbraw/zinc/71/99/45/1137719945.db2.gz PIYNAXKSCCXKBV-WOJBJXKFSA-N 2 1 328.500 3.715 20 0 EHADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573715 1137751665 /nfs/dbraw/zinc/75/16/65/1137751665.db2.gz QAMCEQONTCRNMF-RDJZCZTQSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573715 1137751666 /nfs/dbraw/zinc/75/16/66/1137751666.db2.gz QAMCEQONTCRNMF-RDJZCZTQSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573715 1137751667 /nfs/dbraw/zinc/75/16/67/1137751667.db2.gz QAMCEQONTCRNMF-RDJZCZTQSA-N 2 1 326.406 3.664 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879674609 1137754733 /nfs/dbraw/zinc/75/47/33/1137754733.db2.gz NVTGUKWLVINFET-HXUWFJFHSA-N 2 1 326.488 3.758 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277485 1137772822 /nfs/dbraw/zinc/77/28/22/1137772822.db2.gz MZSNPFYKBZZPOT-IBGZPJMESA-N 2 1 349.482 3.851 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277485 1137772823 /nfs/dbraw/zinc/77/28/23/1137772823.db2.gz MZSNPFYKBZZPOT-IBGZPJMESA-N 2 1 349.482 3.851 20 0 EHADMP Cc1nc2ccccc2nc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516482 1137780405 /nfs/dbraw/zinc/78/04/05/1137780405.db2.gz MQOIXTLPZSBXMW-UHFFFAOYSA-N 2 1 326.488 3.636 20 0 EHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2cccc(F)c2)o1 ZINC000880517780 1137780471 /nfs/dbraw/zinc/78/04/71/1137780471.db2.gz WSBPZNCYUOVYCU-UHFFFAOYSA-N 2 1 346.450 3.574 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2cccc(F)c2)o1 ZINC000880517780 1137780472 /nfs/dbraw/zinc/78/04/72/1137780472.db2.gz WSBPZNCYUOVYCU-UHFFFAOYSA-N 2 1 346.450 3.574 20 0 EHADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882949062 1137839430 /nfs/dbraw/zinc/83/94/30/1137839430.db2.gz YGCBRZOWTABWCF-UHFFFAOYSA-N 2 1 340.471 3.596 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176309 1137847383 /nfs/dbraw/zinc/84/73/83/1137847383.db2.gz ZYRDCSPYTOCCOS-OXQOHEQNSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239014 1137850050 /nfs/dbraw/zinc/85/00/50/1137850050.db2.gz TYVWPGXWNUFWCJ-OXQOHEQNSA-N 2 1 334.479 3.615 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC000883351387 1137856862 /nfs/dbraw/zinc/85/68/62/1137856862.db2.gz DXMBEYVECDFRBS-KGWSWXIGSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCC[C@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434426 1137860532 /nfs/dbraw/zinc/86/05/32/1137860532.db2.gz QXTOOFYMLRNNHP-YZGWKJHDSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1ncc(CN(C)C)s1 ZINC000348291137 1137903956 /nfs/dbraw/zinc/90/39/56/1137903956.db2.gz STMUCBTWZDLVEU-RDJZCZTQSA-N 2 1 329.513 3.973 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000113335780 1137912778 /nfs/dbraw/zinc/91/27/78/1137912778.db2.gz ANOVGCYBXPIFEG-LLVKDONJSA-N 2 1 329.341 3.775 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000885922561 1138024966 /nfs/dbraw/zinc/02/49/66/1138024966.db2.gz DWQWDRRGARKSOQ-OAHLLOKOSA-N 2 1 326.488 3.548 20 0 EHADMP Cc1cc(N2CCC([NH2+]C/C=C/c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000886009874 1138032040 /nfs/dbraw/zinc/03/20/40/1138032040.db2.gz AJDTXNDYADOAHQ-GQCTYLIASA-N 2 1 340.446 3.504 20 0 EHADMP Cc1noc(C)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843717 1138060693 /nfs/dbraw/zinc/06/06/93/1138060693.db2.gz JFOSARMKDVKDSR-UHFFFAOYSA-N 2 1 327.472 3.635 20 0 EHADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000886515523 1138087944 /nfs/dbraw/zinc/08/79/44/1138087944.db2.gz KTERDPKZEVKZNH-FQEVSTJZSA-N 2 1 328.504 3.747 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000886528605 1138090718 /nfs/dbraw/zinc/09/07/18/1138090718.db2.gz OSQUGTBMLPXPHG-DYESRHJHSA-N 2 1 340.515 3.932 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886534135 1138091431 /nfs/dbraw/zinc/09/14/31/1138091431.db2.gz BJFDGBGYJFBYAY-MLNNCEHLSA-N 2 1 344.543 3.674 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886536213 1138092686 /nfs/dbraw/zinc/09/26/86/1138092686.db2.gz CYYCIJOLGOVIQK-FNIBFVLLSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605389 1138100962 /nfs/dbraw/zinc/10/09/62/1138100962.db2.gz PNSJCWZPQDFVJY-NHCUHLMSSA-N 2 1 340.515 3.619 20 0 EHADMP Cc1cnn(CCCCC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886666339 1138111554 /nfs/dbraw/zinc/11/15/54/1138111554.db2.gz RIQBWJYNVGAIAU-UHFFFAOYSA-N 2 1 329.492 3.581 20 0 EHADMP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089686732 1138203863 /nfs/dbraw/zinc/20/38/63/1138203863.db2.gz UTUXBRHMMFPXGB-SBHAEUEKSA-N 2 1 328.500 3.687 20 0 EHADMP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000090112729 1138209275 /nfs/dbraw/zinc/20/92/75/1138209275.db2.gz FVJAJWMMGNSTRR-HNNXBMFYSA-N 2 1 345.512 3.744 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091286493 1138218123 /nfs/dbraw/zinc/21/81/23/1138218123.db2.gz SVTSTCZOIRSWSE-SJORKVTESA-N 2 1 328.504 3.736 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136616 1138220688 /nfs/dbraw/zinc/22/06/88/1138220688.db2.gz XQSNVFJXLZOWAS-MRXNPFEDSA-N 2 1 348.450 3.756 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253353 1138226393 /nfs/dbraw/zinc/22/63/93/1138226393.db2.gz FIMMAFUCTLHRIG-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253353 1138226391 /nfs/dbraw/zinc/22/63/91/1138226391.db2.gz FIMMAFUCTLHRIG-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000092253353 1138226394 /nfs/dbraw/zinc/22/63/94/1138226394.db2.gz FIMMAFUCTLHRIG-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000092253353 1138226396 /nfs/dbraw/zinc/22/63/96/1138226396.db2.gz FIMMAFUCTLHRIG-CQSZACIVSA-N 2 1 340.895 3.521 20 0 EHADMP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564195 1138238788 /nfs/dbraw/zinc/23/87/88/1138238788.db2.gz CTSSIBMBARXZMF-FQEVSTJZSA-N 2 1 346.515 3.552 20 0 EHADMP COCCCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564195 1138238789 /nfs/dbraw/zinc/23/87/89/1138238789.db2.gz CTSSIBMBARXZMF-FQEVSTJZSA-N 2 1 346.515 3.552 20 0 EHADMP COc1ccc2[nH]cc(C3CC[NH+](CC[C@H]4CCC[N@H+]4C)CC3)c2c1 ZINC000125000580 1138298795 /nfs/dbraw/zinc/29/87/95/1138298795.db2.gz MGNIFOHAAYUAPO-QGZVFWFLSA-N 2 1 341.499 3.840 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CCCO2 ZINC000131161685 1138499569 /nfs/dbraw/zinc/49/95/69/1138499569.db2.gz BPZKBQJDTXVYEF-LJQANCHMSA-N 2 1 332.488 3.619 20 0 EHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000337254706 1138510338 /nfs/dbraw/zinc/51/03/38/1138510338.db2.gz QIJOHPLWQBVJMR-CQSZACIVSA-N 2 1 337.895 3.605 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)c(C)c1 ZINC000337310463 1138528026 /nfs/dbraw/zinc/52/80/26/1138528026.db2.gz AYUWGKJCXSGBKF-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)c(C)c1 ZINC000337310463 1138528028 /nfs/dbraw/zinc/52/80/28/1138528028.db2.gz AYUWGKJCXSGBKF-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)oc1C ZINC000337490001 1138584584 /nfs/dbraw/zinc/58/45/84/1138584584.db2.gz VKXGXGHLESWIDD-INIZCTEOSA-N 2 1 342.483 3.704 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H]3CCCF)CCCC2)CC1 ZINC000337984680 1138716483 /nfs/dbraw/zinc/71/64/83/1138716483.db2.gz CALHYJTXEZAMBC-IEBWSBKVSA-N 2 1 340.527 3.918 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000151120880 1139009735 /nfs/dbraw/zinc/00/97/35/1139009735.db2.gz ADUNIJYXSCSKPK-SFHVURJKSA-N 2 1 349.950 3.626 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)CCO1 ZINC000153465871 1139137678 /nfs/dbraw/zinc/13/76/78/1139137678.db2.gz PDNNLUWVRVRVJB-VGOFRKELSA-N 2 1 336.479 3.684 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)CCO1 ZINC000153465871 1139137681 /nfs/dbraw/zinc/13/76/81/1139137681.db2.gz PDNNLUWVRVRVJB-VGOFRKELSA-N 2 1 336.479 3.684 20 0 EHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177067018 1139595725 /nfs/dbraw/zinc/59/57/25/1139595725.db2.gz UMRDQLARGPPHQX-GOSISDBHSA-N 2 1 343.515 3.650 20 0 EHADMP C[C@H](c1ccccn1)[N@@H+](C)CCCC[NH+](C)[C@@H](C)c1ccccn1 ZINC000177201944 1139603521 /nfs/dbraw/zinc/60/35/21/1139603521.db2.gz QIQPDGFEAHRUHP-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H](c1ccccn1)[NH+](C)CCCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000177201944 1139603523 /nfs/dbraw/zinc/60/35/23/1139603523.db2.gz QIQPDGFEAHRUHP-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H](c1ccccn1)[NH+](C)CCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000177201944 1139603529 /nfs/dbraw/zinc/60/35/29/1139603529.db2.gz QIQPDGFEAHRUHP-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299441 1139684860 /nfs/dbraw/zinc/68/48/60/1139684860.db2.gz PBKYZBIGWSJEPQ-JTDSTZFVSA-N 2 1 325.456 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299441 1139684863 /nfs/dbraw/zinc/68/48/63/1139684863.db2.gz PBKYZBIGWSJEPQ-JTDSTZFVSA-N 2 1 325.456 3.692 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC000181921806 1139940106 /nfs/dbraw/zinc/94/01/06/1139940106.db2.gz XTUCPVRQHXYZCD-UHFFFAOYSA-N 2 1 330.516 3.624 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nccn1C ZINC000182243728 1139960471 /nfs/dbraw/zinc/96/04/71/1139960471.db2.gz KQVYZQWKKQIZOL-LJQANCHMSA-N 2 1 326.488 3.647 20 0 EHADMP C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100574 1140013947 /nfs/dbraw/zinc/01/39/47/1140013947.db2.gz VCSLNYKLPRWMNI-APWZRJJASA-N 2 1 326.484 3.705 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183238068 1140022780 /nfs/dbraw/zinc/02/27/80/1140022780.db2.gz ITRYZTOMMIDOOI-IBGZPJMESA-N 2 1 326.488 3.503 20 0 EHADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000184581428 1140109871 /nfs/dbraw/zinc/10/98/71/1140109871.db2.gz ZORXLVBPGLUJAU-BDTNDASRSA-N 2 1 336.479 3.603 20 0 EHADMP C[C@@H]([NH2+]CCCOCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744096 1140167705 /nfs/dbraw/zinc/16/77/05/1140167705.db2.gz HRGNDFMYODXMCA-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371141 1140199935 /nfs/dbraw/zinc/19/99/35/1140199935.db2.gz KQNFIOBSDAQCRF-WSTZPKSXSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000186620338 1140213568 /nfs/dbraw/zinc/21/35/68/1140213568.db2.gz PAIJCRQUWMSSAF-UHFFFAOYSA-N 2 1 330.516 3.801 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000191473997 1140466067 /nfs/dbraw/zinc/46/60/67/1140466067.db2.gz OVKUXKASORUROM-KRWDZBQOSA-N 2 1 335.879 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000191473997 1140466070 /nfs/dbraw/zinc/46/60/70/1140466070.db2.gz OVKUXKASORUROM-KRWDZBQOSA-N 2 1 335.879 3.545 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000193107392 1140564324 /nfs/dbraw/zinc/56/43/24/1140564324.db2.gz RGFWSNZJQOBYFC-CZUORRHYSA-N 2 1 330.925 3.628 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000193107392 1140564328 /nfs/dbraw/zinc/56/43/28/1140564328.db2.gz RGFWSNZJQOBYFC-CZUORRHYSA-N 2 1 330.925 3.628 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000194070748 1140595854 /nfs/dbraw/zinc/59/58/54/1140595854.db2.gz PRVXTTINIIMTKY-OUJGAGHGSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000194070748 1140595859 /nfs/dbraw/zinc/59/58/59/1140595859.db2.gz PRVXTTINIIMTKY-OUJGAGHGSA-N 2 1 340.511 3.587 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H]3CCC=CO3)cc2)CC1 ZINC000194164794 1140599848 /nfs/dbraw/zinc/59/98/48/1140599848.db2.gz JZGQTRMGEIHHEK-HXUWFJFHSA-N 2 1 329.488 3.569 20 0 EHADMP C[NH+](C)CCCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268799816 1140994655 /nfs/dbraw/zinc/99/46/55/1140994655.db2.gz KAJQEXDPTXKAFK-UHFFFAOYSA-N 3 1 345.575 3.795 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000268837695 1141003874 /nfs/dbraw/zinc/00/38/74/1141003874.db2.gz HBUGTFYWWSNABT-ZDUSSCGKSA-N 2 1 325.378 3.821 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000268841150 1141005849 /nfs/dbraw/zinc/00/58/49/1141005849.db2.gz ICRBNFRTDRJQLJ-GFCCVEGCSA-N 2 1 327.350 3.831 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000270550890 1141237754 /nfs/dbraw/zinc/23/77/54/1141237754.db2.gz ZSFTYQPJRZHADO-AQNXPRMDSA-N 2 1 328.500 3.574 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000270915271 1141283214 /nfs/dbraw/zinc/28/32/14/1141283214.db2.gz UFAHPOIWGADHBM-UHFFFAOYSA-N 2 1 336.277 3.565 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520774 1141386469 /nfs/dbraw/zinc/38/64/69/1141386469.db2.gz PMKGWWNPXBKELU-VLCRHTCISA-N 2 1 338.495 3.671 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520774 1141386477 /nfs/dbraw/zinc/38/64/77/1141386477.db2.gz PMKGWWNPXBKELU-VLCRHTCISA-N 2 1 338.495 3.671 20 0 EHADMP CCn1nc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)c2ccccc21 ZINC000274445333 1141530377 /nfs/dbraw/zinc/53/03/77/1141530377.db2.gz PPIZPCIBJPZALR-UHFFFAOYSA-N 2 1 336.483 3.798 20 0 EHADMP CCn1nc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)c2ccccc21 ZINC000274445333 1141530380 /nfs/dbraw/zinc/53/03/80/1141530380.db2.gz PPIZPCIBJPZALR-UHFFFAOYSA-N 2 1 336.483 3.798 20 0 EHADMP c1cc2c(cc[nH+]c2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC001164626440 719057148 /nfs/dbraw/zinc/05/71/48/719057148.db2.gz RBNBMZZDAPVOMW-FXAWDEMLSA-N 2 1 332.451 3.664 20 0 EHADMP Cc1[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc2[nH]ccc21 ZINC001164627967 719092865 /nfs/dbraw/zinc/09/28/65/719092865.db2.gz LNRSFIBQAQCMAN-GHTZIAJQSA-N 2 1 346.478 3.972 20 0 EHADMP CC(C)C[NH+]1CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)CC1 ZINC001164657276 719337754 /nfs/dbraw/zinc/33/77/54/719337754.db2.gz HUDMXQMWLCJTSU-UHFFFAOYSA-N 2 1 338.499 3.613 20 0 EHADMP C[C@]1(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000904471368 1032068978 /nfs/dbraw/zinc/06/89/78/1032068978.db2.gz ADCYLTJRMSXYTF-IBGZPJMESA-N 2 1 334.891 3.624 20 0 EHADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000339415753 1014379595 /nfs/dbraw/zinc/37/95/95/1014379595.db2.gz ULZXCRUVFGNZJX-PZJWPPBQSA-N 2 1 340.515 3.636 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccnn3C3CCCC3)C2)[nH+]1 ZINC000449021535 1032093737 /nfs/dbraw/zinc/09/37/37/1032093737.db2.gz ZTKOTIQGEGJJAQ-QGZVFWFLSA-N 2 1 339.487 3.636 20 0 EHADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530460204 1014588889 /nfs/dbraw/zinc/58/88/89/1014588889.db2.gz VDVVDGVTJOZDRN-LBPRGKRZSA-N 2 1 344.459 3.884 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)sc2C1 ZINC000339514317 1014632130 /nfs/dbraw/zinc/63/21/30/1014632130.db2.gz ZHBUMTUQKXEPQT-IRXDYDNUSA-N 2 1 341.524 3.803 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)sc2C1 ZINC000339514317 1014632134 /nfs/dbraw/zinc/63/21/34/1014632134.db2.gz ZHBUMTUQKXEPQT-IRXDYDNUSA-N 2 1 341.524 3.803 20 0 EHADMP CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423288 1032104346 /nfs/dbraw/zinc/10/43/46/1032104346.db2.gz HBTKLZGLGDKSHF-IBGZPJMESA-N 2 1 334.479 3.836 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000459427105 1032112148 /nfs/dbraw/zinc/11/21/48/1032112148.db2.gz VAKJOLOKXWEVGR-UHFFFAOYSA-N 2 1 343.780 3.914 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000154541076 1015541186 /nfs/dbraw/zinc/54/11/86/1015541186.db2.gz PDLDEJSNYBZJKE-KRWDZBQOSA-N 2 1 329.488 3.501 20 0 EHADMP CCc1nc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274882435 1015567397 /nfs/dbraw/zinc/56/73/97/1015567397.db2.gz HVEYJGBEAVPTNF-SJLPKXTDSA-N 2 1 343.540 3.748 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180242136 1015886728 /nfs/dbraw/zinc/88/67/28/1015886728.db2.gz SESRABSDNGRKTP-IBGZPJMESA-N 2 1 336.545 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)CC[N@H+]1C ZINC000155031783 1016062383 /nfs/dbraw/zinc/06/23/83/1016062383.db2.gz RBLJGMZQWJOGJZ-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000086279290 1016211529 /nfs/dbraw/zinc/21/15/29/1016211529.db2.gz XZQAWXYJIVFQQT-HNNXBMFYSA-N 2 1 349.434 3.803 20 0 EHADMP O[C@@]1(C[NH2+]CCC2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000705726113 1016220936 /nfs/dbraw/zinc/22/09/36/1016220936.db2.gz AAOMHCQJFMSUFW-OAQYLSRUSA-N 2 1 330.516 3.574 20 0 EHADMP O[C@@]1(C[NH2+]CCC2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000705726113 1016220940 /nfs/dbraw/zinc/22/09/40/1016220940.db2.gz AAOMHCQJFMSUFW-OAQYLSRUSA-N 2 1 330.516 3.574 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)CC[N@H+]1C ZINC000177891800 1016486121 /nfs/dbraw/zinc/48/61/21/1016486121.db2.gz DIZMEUHNYQUFMK-RXVVDRJESA-N 2 1 338.495 3.880 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000579891397 1016491945 /nfs/dbraw/zinc/49/19/45/1016491945.db2.gz PQSIKRAVMRSSMG-MUIFIZLQSA-N 2 1 328.422 3.726 20 0 EHADMP CCOCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000782963506 1016877557 /nfs/dbraw/zinc/87/75/57/1016877557.db2.gz LNVAQCKNJPSVIM-IBGZPJMESA-N 2 1 334.504 3.517 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000536696637 1032151410 /nfs/dbraw/zinc/15/14/10/1032151410.db2.gz ANTASIFQTZXKJO-SFHVURJKSA-N 2 1 330.516 3.954 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000536696637 1032151399 /nfs/dbraw/zinc/15/13/99/1032151399.db2.gz ANTASIFQTZXKJO-SFHVURJKSA-N 2 1 330.516 3.954 20 0 EHADMP c1cc(CNCc2cccc(Cn3ccnc3)c2)n(C2CCCC2)n1 ZINC000449071628 1032157647 /nfs/dbraw/zinc/15/76/47/1032157647.db2.gz BSTJPSFCZSAXDC-UHFFFAOYSA-N 2 1 335.455 3.533 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000449081441 1032171125 /nfs/dbraw/zinc/17/11/25/1032171125.db2.gz FGWHXSQHXVUHPG-OALUTQOASA-N 2 1 335.580 3.882 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108983 1032190719 /nfs/dbraw/zinc/19/07/19/1032190719.db2.gz WMNMOYMCJSEQNW-SJORKVTESA-N 2 1 334.529 3.651 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108983 1032190730 /nfs/dbraw/zinc/19/07/30/1032190730.db2.gz WMNMOYMCJSEQNW-SJORKVTESA-N 2 1 334.529 3.651 20 0 EHADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449108906 1032190811 /nfs/dbraw/zinc/19/08/11/1032190811.db2.gz TVTFHJOUOQDPGT-KURKYZTESA-N 2 1 342.483 3.610 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449090342 1032194617 /nfs/dbraw/zinc/19/46/17/1032194617.db2.gz NEKIBCKWLFSFAI-UHFFFAOYSA-N 3 1 334.552 3.850 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+](C)C2CCCC2)CC1 ZINC000449127721 1032222114 /nfs/dbraw/zinc/22/21/14/1032222114.db2.gz QAOBTXULEOSRQO-IBGZPJMESA-N 2 1 343.559 3.546 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)CC[C@H]3C)CC2)oc1C ZINC000449126624 1032220201 /nfs/dbraw/zinc/22/02/01/1032220201.db2.gz UTKIEBXEMIPEHE-QMTMVMCOSA-N 2 1 333.520 3.918 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449146745 1032249572 /nfs/dbraw/zinc/24/95/72/1032249572.db2.gz DGYWXBYNTVDADV-FXAWDEMLSA-N 2 1 328.500 3.903 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449146746 1032249817 /nfs/dbraw/zinc/24/98/17/1032249817.db2.gz DGYWXBYNTVDADV-PXNSSMCTSA-N 2 1 328.500 3.903 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924660431 1032274549 /nfs/dbraw/zinc/27/45/49/1032274549.db2.gz YSCCKZLQVLRRAG-NHCUHLMSSA-N 2 1 330.516 3.822 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(CO)ccc2F)cc1 ZINC000528440044 1032300263 /nfs/dbraw/zinc/30/02/63/1032300263.db2.gz SUPKUJHZAGCQCL-AWEZNQCLSA-N 2 1 339.414 3.663 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000449207655 1032310892 /nfs/dbraw/zinc/31/08/92/1032310892.db2.gz CGXCQYYYRXSMSL-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000536844283 1032339249 /nfs/dbraw/zinc/33/92/49/1032339249.db2.gz GMTOKEJZPFKFJK-FVQBIDKESA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000536844283 1032339261 /nfs/dbraw/zinc/33/92/61/1032339261.db2.gz GMTOKEJZPFKFJK-FVQBIDKESA-N 2 1 339.321 3.843 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000536857455 1032354880 /nfs/dbraw/zinc/35/48/80/1032354880.db2.gz LPYJSTFGNUVCFY-QKLQHJQFSA-N 2 1 330.516 3.888 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000536883422 1032389806 /nfs/dbraw/zinc/38/98/06/1032389806.db2.gz WKKBJWTXIOUFQR-GPMSIDNRSA-N 2 1 346.515 3.835 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000536883422 1032389819 /nfs/dbraw/zinc/38/98/19/1032389819.db2.gz WKKBJWTXIOUFQR-GPMSIDNRSA-N 2 1 346.515 3.835 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459731503 1032436558 /nfs/dbraw/zinc/43/65/58/1032436558.db2.gz FEUDLTCRFRHCFB-GSEOLPGOSA-N 2 1 348.556 3.646 20 0 EHADMP c1c2cccnc2oc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000449335288 1032471589 /nfs/dbraw/zinc/47/15/89/1032471589.db2.gz KSMWYFHDDLRPST-WOJBJXKFSA-N 2 1 347.462 3.782 20 0 EHADMP c1c2cccnc2oc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000449335288 1032471590 /nfs/dbraw/zinc/47/15/90/1032471590.db2.gz KSMWYFHDDLRPST-WOJBJXKFSA-N 2 1 347.462 3.782 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000537324389 1032632800 /nfs/dbraw/zinc/63/28/00/1032632800.db2.gz ZMHKBQBRTLHRQM-APWZRJJASA-N 2 1 334.552 3.535 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449486334 1032641728 /nfs/dbraw/zinc/64/17/28/1032641728.db2.gz UCHDWZDPOMKTTG-QNWVGRARSA-N 2 1 349.522 3.823 20 0 EHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000606432114 1032678416 /nfs/dbraw/zinc/67/84/16/1032678416.db2.gz RQSUZTWIPJXYHA-DBXWQHBBSA-N 2 1 347.522 3.767 20 0 EHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000317231789 1017405497 /nfs/dbraw/zinc/40/54/97/1017405497.db2.gz LHKZDOMQAWAUTN-AWEZNQCLSA-N 2 1 346.302 3.627 20 0 EHADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000415020771 1017407156 /nfs/dbraw/zinc/40/71/56/1017407156.db2.gz UERAACXDSVTKJN-CABCVRRESA-N 2 1 338.430 3.504 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000655703096 1017429093 /nfs/dbraw/zinc/42/90/93/1017429093.db2.gz LURBSIVGZZEHAI-MJGOQNOKSA-N 2 1 339.483 3.653 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000655712273 1017433419 /nfs/dbraw/zinc/43/34/19/1017433419.db2.gz PZSKUSFEKIDNAL-UHFFFAOYSA-N 2 1 343.862 3.519 20 0 EHADMP Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415039944 1017444896 /nfs/dbraw/zinc/44/48/96/1017444896.db2.gz NOERVYGZKKGIEU-HNNXBMFYSA-N 2 1 336.888 3.537 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415036683 1017451975 /nfs/dbraw/zinc/45/19/75/1017451975.db2.gz GAHUYLIKFJOKRO-MOPGFXCFSA-N 2 1 346.515 3.838 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415061270 1017488486 /nfs/dbraw/zinc/48/84/86/1017488486.db2.gz ZXENTIAURJRYDG-ZBFHGGJFSA-N 2 1 328.378 3.549 20 0 EHADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Br)c1 ZINC000415063317 1017491936 /nfs/dbraw/zinc/49/19/36/1017491936.db2.gz HVHREYFYTNWHPI-MLGOLLRUSA-N 2 1 325.294 3.660 20 0 EHADMP Clc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655736588 1017492418 /nfs/dbraw/zinc/49/24/18/1017492418.db2.gz HUJRZPOCCRWISH-KRWDZBQOSA-N 2 1 348.918 3.605 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415076589 1017509640 /nfs/dbraw/zinc/50/96/40/1017509640.db2.gz DAACQZVYOLTTJL-CBQOVEMMSA-N 2 1 335.495 3.596 20 0 EHADMP COc1cccc(Oc2ncccc2C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415079659 1017521250 /nfs/dbraw/zinc/52/12/50/1017521250.db2.gz IFFGGXNSEVLTFY-NVXWUHKLSA-N 2 1 341.455 3.503 20 0 EHADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000415096029 1017542209 /nfs/dbraw/zinc/54/22/09/1017542209.db2.gz ANXCUOSWJLYGBR-AEFFLSMTSA-N 2 1 329.513 3.892 20 0 EHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415111525 1017557977 /nfs/dbraw/zinc/55/79/77/1017557977.db2.gz RBMIQCHFVOHVNU-QFBILLFUSA-N 2 1 343.515 3.826 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655764919 1017563274 /nfs/dbraw/zinc/56/32/74/1017563274.db2.gz VFSVSKFVUDNBCY-JLMWRMLUSA-N 2 1 342.527 3.756 20 0 EHADMP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)c1 ZINC000415120202 1017580277 /nfs/dbraw/zinc/58/02/77/1017580277.db2.gz KXOYJSUNPIVAKZ-VXKWHMMOSA-N 2 1 346.478 3.514 20 0 EHADMP C[NH+]1CCC([NH2+]CC2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 ZINC000655821348 1017701021 /nfs/dbraw/zinc/70/10/21/1017701021.db2.gz WOWDEYKFPNWPQS-UHFFFAOYSA-N 2 1 342.405 3.691 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCc4c(O)cccc43)CC2)[nH+]1 ZINC000340477248 1018028459 /nfs/dbraw/zinc/02/84/59/1018028459.db2.gz LDHIGGBPODXNPH-LJQANCHMSA-N 2 1 337.467 3.732 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@]1(C)CCCO1 ZINC000340484732 1018058456 /nfs/dbraw/zinc/05/84/56/1018058456.db2.gz DTEFINCOEFKYTK-DYESRHJHSA-N 2 1 342.483 3.959 20 0 EHADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000574226270 1032748675 /nfs/dbraw/zinc/74/86/75/1032748675.db2.gz WKXFNFMLAJRGLB-FFGOWVMKSA-N 2 1 329.532 3.578 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340516979 1018201515 /nfs/dbraw/zinc/20/15/15/1018201515.db2.gz YAQRFARWQSZGTR-SQGPQFPESA-N 2 1 339.483 3.651 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000340533512 1018262133 /nfs/dbraw/zinc/26/21/33/1018262133.db2.gz YIKMHSLILLYJJF-MAKTXDPSSA-N 2 1 341.543 3.644 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cc1 ZINC000377751446 1018320195 /nfs/dbraw/zinc/32/01/95/1018320195.db2.gz XQFKMEOVHNLFFI-SJORKVTESA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)s2)cc1 ZINC000377751446 1018320205 /nfs/dbraw/zinc/32/02/05/1018320205.db2.gz XQFKMEOVHNLFFI-SJORKVTESA-N 2 1 327.497 3.835 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc4ccccc34)C2)CC1 ZINC000377832250 1018441124 /nfs/dbraw/zinc/44/11/24/1018441124.db2.gz QPRXPXZJIYLVJY-GOSISDBHSA-N 2 1 343.540 3.502 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000610371072 1018545853 /nfs/dbraw/zinc/54/58/53/1018545853.db2.gz LNBRXZHQZGYQQG-NRFANRHFSA-N 2 1 343.559 3.584 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513072195 1018896150 /nfs/dbraw/zinc/89/61/50/1018896150.db2.gz ZEFRBOGFTBYLBP-UIFIKXQLSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513072195 1018896166 /nfs/dbraw/zinc/89/61/66/1018896166.db2.gz ZEFRBOGFTBYLBP-UIFIKXQLSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398014174 1018952137 /nfs/dbraw/zinc/95/21/37/1018952137.db2.gz FJVFTCNDHTVAQQ-PGRDOPGGSA-N 2 1 333.479 3.867 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261774028 1019059321 /nfs/dbraw/zinc/05/93/21/1019059321.db2.gz XGJKDNILKWMBSY-DOIPELPJSA-N 2 1 329.532 3.580 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557358 1019330476 /nfs/dbraw/zinc/33/04/76/1019330476.db2.gz OKVBXAZPYMDYPG-WWMYMODYSA-N 2 1 348.494 3.844 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430430 1019350824 /nfs/dbraw/zinc/35/08/24/1019350824.db2.gz DZYGDWKVYVKYNW-UIFIKXQLSA-N 2 1 342.527 3.977 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430430 1019350840 /nfs/dbraw/zinc/35/08/40/1019350840.db2.gz DZYGDWKVYVKYNW-UIFIKXQLSA-N 2 1 342.527 3.977 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000580501560 1019512499 /nfs/dbraw/zinc/51/24/99/1019512499.db2.gz KBAPVLHNNLDMJW-ZVDOUQERSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000580501560 1019512508 /nfs/dbraw/zinc/51/25/08/1019512508.db2.gz KBAPVLHNNLDMJW-ZVDOUQERSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000580501560 1019512526 /nfs/dbraw/zinc/51/25/26/1019512526.db2.gz KBAPVLHNNLDMJW-ZVDOUQERSA-N 2 1 331.548 3.607 20 0 EHADMP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCC[NH+](C[C@H]3CCCO3)C2)C1 ZINC001279467557 1019723936 /nfs/dbraw/zinc/72/39/36/1019723936.db2.gz OGTDNNCUFSVXQK-SJORKVTESA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[N@H+]1CCC[C@]2(CCC[NH+](C[C@H]3CCCO3)C2)C1 ZINC001279467557 1019723951 /nfs/dbraw/zinc/72/39/51/1019723951.db2.gz OGTDNNCUFSVXQK-SJORKVTESA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@H+](C[C@H]3CCCO3)C2)C1 ZINC001279467557 1019723969 /nfs/dbraw/zinc/72/39/69/1019723969.db2.gz OGTDNNCUFSVXQK-SJORKVTESA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@@H+](C[C@H]3CCCO3)C2)C1 ZINC001279467557 1019723984 /nfs/dbraw/zinc/72/39/84/1019723984.db2.gz OGTDNNCUFSVXQK-SJORKVTESA-N 2 1 348.453 3.686 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544433 1019810370 /nfs/dbraw/zinc/81/03/70/1019810370.db2.gz HYDRJLGBSYHFFR-AZUAARDMSA-N 2 1 348.494 3.725 20 0 EHADMP CC[N@@H+](CCOc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000345190389 1020011760 /nfs/dbraw/zinc/01/17/60/1020011760.db2.gz PBSUPSBKDGMSEE-AWEZNQCLSA-N 2 1 330.394 3.548 20 0 EHADMP CC[N@H+](Cc1ccnn1C(C)C)CC1CCN(c2ccccn2)CC1 ZINC000280099239 1020080116 /nfs/dbraw/zinc/08/01/16/1020080116.db2.gz BGQUVUMWORHHRO-UHFFFAOYSA-N 2 1 341.503 3.598 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000580889666 1020194999 /nfs/dbraw/zinc/19/49/99/1020194999.db2.gz ABYDOIBHZHBNOM-KPFFTGBYSA-N 2 1 343.515 3.907 20 0 EHADMP CC(C)n1nccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000280222919 1020206241 /nfs/dbraw/zinc/20/62/41/1020206241.db2.gz JAYCCEJOZUJTHU-ROUUACIJSA-N 2 1 340.515 3.710 20 0 EHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398320334 1020277974 /nfs/dbraw/zinc/27/79/74/1020277974.db2.gz YYOIDUSYCVHOML-IDCXYZFESA-N 2 1 340.898 3.991 20 0 EHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398320334 1020277981 /nfs/dbraw/zinc/27/79/81/1020277981.db2.gz YYOIDUSYCVHOML-IDCXYZFESA-N 2 1 340.898 3.991 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@H]1CC[NH2+]C1 ZINC000647884004 1020388065 /nfs/dbraw/zinc/38/80/65/1020388065.db2.gz UENCFWMOFGYZAM-KRWDZBQOSA-N 2 1 327.472 3.596 20 0 EHADMP CC[N@@H+](Cc1ccc(COC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818721 1032911791 /nfs/dbraw/zinc/91/17/91/1032911791.db2.gz HOOUCGHTLIALDY-LJQANCHMSA-N 2 1 342.483 3.770 20 0 EHADMP CC[N@H+](Cc1ccc(COC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818721 1032911803 /nfs/dbraw/zinc/91/18/03/1032911803.db2.gz HOOUCGHTLIALDY-LJQANCHMSA-N 2 1 342.483 3.770 20 0 EHADMP CC[NH+](Cc1ccc(COC)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818721 1032911821 /nfs/dbraw/zinc/91/18/21/1032911821.db2.gz HOOUCGHTLIALDY-LJQANCHMSA-N 2 1 342.483 3.770 20 0 EHADMP CC[NH+](Cc1ccc(COC)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818721 1032911829 /nfs/dbraw/zinc/91/18/29/1032911829.db2.gz HOOUCGHTLIALDY-LJQANCHMSA-N 2 1 342.483 3.770 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000349380899 1020654078 /nfs/dbraw/zinc/65/40/78/1020654078.db2.gz FYUCIZZNLGUYQQ-UHFFFAOYSA-N 2 1 329.341 3.872 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000349380899 1020654081 /nfs/dbraw/zinc/65/40/81/1020654081.db2.gz FYUCIZZNLGUYQQ-UHFFFAOYSA-N 2 1 329.341 3.872 20 0 EHADMP Cc1ccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1C ZINC000501134201 1020726823 /nfs/dbraw/zinc/72/68/23/1020726823.db2.gz YDBGSJRSIKIXCR-JOCHJYFZSA-N 2 1 343.559 3.856 20 0 EHADMP C[C@@](C[NH3+])([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000430566269 1020731101 /nfs/dbraw/zinc/73/11/01/1020731101.db2.gz GZEJTNUCKHIBLO-QFIPXVFZSA-N 2 1 346.478 3.756 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000223025399 1020752860 /nfs/dbraw/zinc/75/28/60/1020752860.db2.gz KTNNNQRMZJYOBD-INIZCTEOSA-N 2 1 325.294 3.756 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000341024077 1020876103 /nfs/dbraw/zinc/87/61/03/1020876103.db2.gz YMQRFYYQZKSEDU-NSHDSACASA-N 2 1 345.340 3.655 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507498157 1021296214 /nfs/dbraw/zinc/29/62/14/1021296214.db2.gz UNSXVJDQEFCUSN-YSFYHYPLSA-N 2 1 344.543 3.674 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)s1 ZINC000090404679 1021672567 /nfs/dbraw/zinc/67/25/67/1021672567.db2.gz FBBKRSGTCWQGQM-CABCVRRESA-N 2 1 345.512 3.523 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)s1 ZINC000090404679 1021672580 /nfs/dbraw/zinc/67/25/80/1021672580.db2.gz FBBKRSGTCWQGQM-CABCVRRESA-N 2 1 345.512 3.523 20 0 EHADMP OCc1ccccc1CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417354 1022031674 /nfs/dbraw/zinc/03/16/74/1022031674.db2.gz ZIQJPPNFGYUOID-IRLDBZIGSA-N 2 1 336.479 3.637 20 0 EHADMP OCc1ccccc1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417354 1022031689 /nfs/dbraw/zinc/03/16/89/1022031689.db2.gz ZIQJPPNFGYUOID-IRLDBZIGSA-N 2 1 336.479 3.637 20 0 EHADMP OCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417354 1022031706 /nfs/dbraw/zinc/03/17/06/1022031706.db2.gz ZIQJPPNFGYUOID-IRLDBZIGSA-N 2 1 336.479 3.637 20 0 EHADMP OCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417354 1022031725 /nfs/dbraw/zinc/03/17/25/1022031725.db2.gz ZIQJPPNFGYUOID-IRLDBZIGSA-N 2 1 336.479 3.637 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H](C)c1ccccc1C(F)(F)F ZINC000276660863 1022060457 /nfs/dbraw/zinc/06/04/57/1022060457.db2.gz NWPNGIYVPLKEOU-QWHCGFSZSA-N 2 1 325.378 3.763 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919692 1022203459 /nfs/dbraw/zinc/20/34/59/1022203459.db2.gz GNYQCMKYBCZZBU-YLJYHZDGSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000163935779 1022206738 /nfs/dbraw/zinc/20/67/38/1022206738.db2.gz RMJWMABTHAKTEV-IBGZPJMESA-N 2 1 341.499 3.528 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCc2ccncc2C)CC1)CC1CC1 ZINC000574316456 1033037633 /nfs/dbraw/zinc/03/76/33/1033037633.db2.gz GVKQZLPKVODNCZ-UHFFFAOYSA-N 2 1 329.532 3.767 20 0 EHADMP c1ccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995359 1022423265 /nfs/dbraw/zinc/42/32/65/1022423265.db2.gz CEMGVMLCVQHNBL-VHRCFOOQSA-N 2 1 326.484 3.545 20 0 EHADMP c1ccc(O[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995359 1022423270 /nfs/dbraw/zinc/42/32/70/1022423270.db2.gz CEMGVMLCVQHNBL-VHRCFOOQSA-N 2 1 326.484 3.545 20 0 EHADMP c1ccc(O[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995359 1022423274 /nfs/dbraw/zinc/42/32/74/1022423274.db2.gz CEMGVMLCVQHNBL-VHRCFOOQSA-N 2 1 326.484 3.545 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000471852280 1022582291 /nfs/dbraw/zinc/58/22/91/1022582291.db2.gz LPKHAYBZRYXOPD-ICSRJNTNSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000471852280 1022582297 /nfs/dbraw/zinc/58/22/97/1022582297.db2.gz LPKHAYBZRYXOPD-ICSRJNTNSA-N 2 1 343.902 3.907 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000550200893 1022721530 /nfs/dbraw/zinc/72/15/30/1022721530.db2.gz ZDEWNDQVPCHMNL-MRXNPFEDSA-N 2 1 337.305 3.613 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414941920 1022932864 /nfs/dbraw/zinc/93/28/64/1022932864.db2.gz CWLBWYYTRQMGSF-DZGCQCFKSA-N 2 1 340.895 3.758 20 0 EHADMP C[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430963258 1022980951 /nfs/dbraw/zinc/98/09/51/1022980951.db2.gz TUYXPNVZFCKVRX-OXJNMPFZSA-N 2 1 326.440 3.527 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506929107 1023020581 /nfs/dbraw/zinc/02/05/81/1023020581.db2.gz LCJYCUNNOWDRSX-UHFFFAOYSA-N 2 1 331.287 3.776 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000089907957 1023043182 /nfs/dbraw/zinc/04/31/82/1023043182.db2.gz WFEPJQHDGOCVEN-UHFFFAOYSA-N 2 1 347.503 3.950 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000089907957 1023043187 /nfs/dbraw/zinc/04/31/87/1023043187.db2.gz WFEPJQHDGOCVEN-UHFFFAOYSA-N 2 1 347.503 3.950 20 0 EHADMP Fc1ccc(Br)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197629 1033103302 /nfs/dbraw/zinc/10/33/02/1033103302.db2.gz IOMANBRURKDVEJ-INIZCTEOSA-N 2 1 341.268 3.552 20 0 EHADMP C[N@@H+](CCCOc1ccc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358141 1033103567 /nfs/dbraw/zinc/10/35/67/1033103567.db2.gz FDLWGWVIEKRBTQ-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1ccc2ccccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358141 1033103575 /nfs/dbraw/zinc/10/35/75/1033103575.db2.gz FDLWGWVIEKRBTQ-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1ccc2ccccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358141 1033103586 /nfs/dbraw/zinc/10/35/86/1033103586.db2.gz FDLWGWVIEKRBTQ-GOSISDBHSA-N 2 1 326.484 3.882 20 0 EHADMP COCc1ccccc1/C=C(/C)CN[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000510809563 1023199365 /nfs/dbraw/zinc/19/93/65/1023199365.db2.gz HKGUWRVYOCXMON-MBGNVJMVSA-N 2 1 328.500 3.843 20 0 EHADMP FC[C@]1(C(F)(F)F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985140 1023227846 /nfs/dbraw/zinc/22/78/46/1023227846.db2.gz VZVFPEYJIFKSCO-VFSICIBPSA-N 2 1 334.401 3.616 20 0 EHADMP FC[C@]1(C(F)(F)F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985140 1023227858 /nfs/dbraw/zinc/22/78/58/1023227858.db2.gz VZVFPEYJIFKSCO-VFSICIBPSA-N 2 1 334.401 3.616 20 0 EHADMP FC[C@]1(C(F)(F)F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985140 1023227864 /nfs/dbraw/zinc/22/78/64/1023227864.db2.gz VZVFPEYJIFKSCO-VFSICIBPSA-N 2 1 334.401 3.616 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000439090366 1023266214 /nfs/dbraw/zinc/26/62/14/1023266214.db2.gz WQLJWHQVNIEDKX-CYBMUJFWSA-N 2 1 347.503 3.613 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1nccn1C ZINC000341758523 1023270758 /nfs/dbraw/zinc/27/07/58/1023270758.db2.gz QRHGAHCAYURVFD-IBGZPJMESA-N 2 1 326.488 3.647 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092559962 1023450324 /nfs/dbraw/zinc/45/03/24/1023450324.db2.gz LTONBXMAPDHVDS-AOCRQIFASA-N 2 1 338.536 3.741 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000236261901 1023585765 /nfs/dbraw/zinc/58/57/65/1023585765.db2.gz TXSQPRCUQMPPKC-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427109304 1023655959 /nfs/dbraw/zinc/65/59/59/1023655959.db2.gz GMAWEZQHOVZEBS-WIYYLYMNSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427109304 1023655964 /nfs/dbraw/zinc/65/59/64/1023655964.db2.gz GMAWEZQHOVZEBS-WIYYLYMNSA-N 2 1 340.442 3.589 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000093643981 1023984590 /nfs/dbraw/zinc/98/45/90/1023984590.db2.gz ALGCRXDWVMAWIL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Br ZINC000093643981 1023984597 /nfs/dbraw/zinc/98/45/97/1023984597.db2.gz ALGCRXDWVMAWIL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1Br ZINC000093643981 1023984609 /nfs/dbraw/zinc/98/46/09/1023984609.db2.gz ALGCRXDWVMAWIL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1Br ZINC000093643981 1023984623 /nfs/dbraw/zinc/98/46/23/1023984623.db2.gz ALGCRXDWVMAWIL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]21 ZINC000342101535 1024004944 /nfs/dbraw/zinc/00/49/44/1024004944.db2.gz LGOWEICUDNQEBJ-CEXWTWQISA-N 2 1 346.478 3.561 20 0 EHADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C2 ZINC000192445914 1024013267 /nfs/dbraw/zinc/01/32/67/1024013267.db2.gz FKCWCRDXHVMPOW-IEBWSBKVSA-N 2 1 330.516 3.510 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)OC ZINC000520580693 1024139020 /nfs/dbraw/zinc/13/90/20/1024139020.db2.gz HQUUWXQZGLVUMG-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)OC ZINC000520580693 1024139029 /nfs/dbraw/zinc/13/90/29/1024139029.db2.gz HQUUWXQZGLVUMG-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342146766 1024240521 /nfs/dbraw/zinc/24/05/21/1024240521.db2.gz YQSDAJWBWUPFDY-WXYCVUISSA-N 2 1 346.862 3.510 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342146766 1024240540 /nfs/dbraw/zinc/24/05/40/1024240540.db2.gz YQSDAJWBWUPFDY-WXYCVUISSA-N 2 1 346.862 3.510 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cnccc3o2)[C@H](C)C1 ZINC000657884105 1033200157 /nfs/dbraw/zinc/20/01/57/1033200157.db2.gz KAFBIRYFVXBHAD-NUJGCVRESA-N 2 1 345.487 3.615 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cnccc3o2)[C@H](C)C1 ZINC000657884105 1033200166 /nfs/dbraw/zinc/20/01/66/1033200166.db2.gz KAFBIRYFVXBHAD-NUJGCVRESA-N 2 1 345.487 3.615 20 0 EHADMP CC(C)(C)OCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689361 1024301527 /nfs/dbraw/zinc/30/15/27/1024301527.db2.gz AVGQWCZDQYJMAQ-UHFFFAOYSA-N 2 1 333.520 3.994 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000280833068 1024321860 /nfs/dbraw/zinc/32/18/60/1024321860.db2.gz LGMUKPZJAFBTOV-KBPBESRZSA-N 2 1 337.389 3.685 20 0 EHADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000366595291 1024346905 /nfs/dbraw/zinc/34/69/05/1024346905.db2.gz VPPNHFORPPIYRK-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999294 1024373626 /nfs/dbraw/zinc/37/36/26/1024373626.db2.gz FGBHJGMVUWUHBU-IAGOWNOFSA-N 2 1 332.488 3.763 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999294 1024373641 /nfs/dbraw/zinc/37/36/41/1024373641.db2.gz FGBHJGMVUWUHBU-IAGOWNOFSA-N 2 1 332.488 3.763 20 0 EHADMP CC[N@H+]1CCC[C@H]1CNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168005893 1024376232 /nfs/dbraw/zinc/37/62/32/1024376232.db2.gz KTMIFNRMNNCBHQ-OPYAIIAOSA-N 2 1 329.532 3.502 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000474155505 1024446748 /nfs/dbraw/zinc/44/67/48/1024446748.db2.gz BZJFWRZMIPAUPF-MRXNPFEDSA-N 2 1 347.890 3.825 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000346189386 1024472317 /nfs/dbraw/zinc/47/23/17/1024472317.db2.gz CWLJYKFYZUAMEK-OAQYLSRUSA-N 2 1 332.451 3.565 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccs2)CC1 ZINC000505575360 1024515403 /nfs/dbraw/zinc/51/54/03/1024515403.db2.gz AGNFOCMYUIVXEP-UHFFFAOYSA-N 2 1 329.513 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccnn32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168029057 1024528800 /nfs/dbraw/zinc/52/88/00/1024528800.db2.gz SDWYUMDEQLMYJB-OPVJXMOQSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccnn32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029057 1024528807 /nfs/dbraw/zinc/52/88/07/1024528807.db2.gz SDWYUMDEQLMYJB-OPVJXMOQSA-N 2 1 348.494 3.866 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000346223694 1024536251 /nfs/dbraw/zinc/53/62/51/1024536251.db2.gz PXTXDHJQZZLWNA-KRWDZBQOSA-N 2 1 336.414 3.704 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000487439190 1024604621 /nfs/dbraw/zinc/60/46/21/1024604621.db2.gz MNSSMNRVPRAGRC-VQTJNVASSA-N 2 1 345.531 3.521 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2cnc3ccccn23)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008788 1024622963 /nfs/dbraw/zinc/62/29/63/1024622963.db2.gz YAYUSEMAPFJSCT-QZTJIDSGSA-N 2 1 348.494 3.866 20 0 EHADMP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc21 ZINC000657292707 1024650893 /nfs/dbraw/zinc/65/08/93/1024650893.db2.gz DPJBTYSKPKHLBS-UHFFFAOYSA-N 2 1 349.478 3.598 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000474277703 1024681258 /nfs/dbraw/zinc/68/12/58/1024681258.db2.gz RPUUZKVFVUETGX-DOTOQJQBSA-N 2 1 326.406 3.712 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000474277703 1024681264 /nfs/dbraw/zinc/68/12/64/1024681264.db2.gz RPUUZKVFVUETGX-DOTOQJQBSA-N 2 1 326.406 3.712 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nccn3c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168031842 1024701686 /nfs/dbraw/zinc/70/16/86/1024701686.db2.gz CQVOVMZVLCRBLF-RMFSNUHRSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nccn3c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031842 1024701696 /nfs/dbraw/zinc/70/16/96/1024701696.db2.gz CQVOVMZVLCRBLF-RMFSNUHRSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032819 1024709266 /nfs/dbraw/zinc/70/92/66/1024709266.db2.gz HYIHVZIJCJSQHY-WKASQICBSA-N 2 1 330.516 3.711 20 0 EHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000427721682 1024754236 /nfs/dbraw/zinc/75/42/36/1024754236.db2.gz IZUWMYMPTPKNFV-NRFANRHFSA-N 2 1 344.543 3.878 20 0 EHADMP CC(C)n1cncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000425338446 1024784005 /nfs/dbraw/zinc/78/40/05/1024784005.db2.gz PPXPYFFOPPNNDG-SFHVURJKSA-N 2 1 332.536 3.941 20 0 EHADMP Fc1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cccc1OC1CC1 ZINC000665244446 1024806081 /nfs/dbraw/zinc/80/60/81/1024806081.db2.gz NGIYEXNCQWKXCG-OKZBNKHCSA-N 2 1 332.463 3.767 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OCc2ccccn2)c1 ZINC000281244266 1024807999 /nfs/dbraw/zinc/80/79/99/1024807999.db2.gz MBUQCBAWFKRWMD-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OCc2ccccn2)c1 ZINC000281244266 1024808024 /nfs/dbraw/zinc/80/80/24/1024808024.db2.gz MBUQCBAWFKRWMD-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435378851 1024859772 /nfs/dbraw/zinc/85/97/72/1024859772.db2.gz KFAOFOFPWXQOBQ-CJNGLKHVSA-N 2 1 346.906 3.702 20 0 EHADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)CCC3)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435388324 1024874119 /nfs/dbraw/zinc/87/41/19/1024874119.db2.gz FEEMFXDLZUTNII-QFIPXVFZSA-N 2 1 335.495 3.715 20 0 EHADMP c1ccc(C[N@H+](Cc2ccc3c(c2)CCC3)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435388324 1024874128 /nfs/dbraw/zinc/87/41/28/1024874128.db2.gz FEEMFXDLZUTNII-QFIPXVFZSA-N 2 1 335.495 3.715 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435389576 1024874814 /nfs/dbraw/zinc/87/48/14/1024874814.db2.gz LTBCBRUSQRUVNS-HNNXBMFYSA-N 2 1 340.895 3.711 20 0 EHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435390038 1024878683 /nfs/dbraw/zinc/87/86/83/1024878683.db2.gz PXTPCYZADDVLFK-MRXNPFEDSA-N 2 1 346.496 3.506 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435390038 1024878702 /nfs/dbraw/zinc/87/87/02/1024878702.db2.gz PXTPCYZADDVLFK-MRXNPFEDSA-N 2 1 346.496 3.506 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000657307651 1024897507 /nfs/dbraw/zinc/89/75/07/1024897507.db2.gz SIUZCJAVHCZNNH-MRXNPFEDSA-N 2 1 341.430 3.587 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1ccc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000435430247 1024918317 /nfs/dbraw/zinc/91/83/17/1024918317.db2.gz ZNIXBWFLRGJTMS-QGZVFWFLSA-N 2 1 329.513 3.680 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1ccc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000435430247 1024918329 /nfs/dbraw/zinc/91/83/29/1024918329.db2.gz ZNIXBWFLRGJTMS-QGZVFWFLSA-N 2 1 329.513 3.680 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H](C)Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435438432 1024926341 /nfs/dbraw/zinc/92/63/41/1024926341.db2.gz PUQVGHUFYOKSHC-QFBILLFUSA-N 2 1 343.540 3.742 20 0 EHADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060107 1024993213 /nfs/dbraw/zinc/99/32/13/1024993213.db2.gz VQYKEAUASDRGQH-RTWAWAEBSA-N 2 1 342.527 3.714 20 0 EHADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060107 1024993222 /nfs/dbraw/zinc/99/32/22/1024993222.db2.gz VQYKEAUASDRGQH-RTWAWAEBSA-N 2 1 342.527 3.714 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657313077 1025002668 /nfs/dbraw/zinc/00/26/68/1025002668.db2.gz HEVSMPMBZKDQIF-ROUUACIJSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657313077 1025002679 /nfs/dbraw/zinc/00/26/79/1025002679.db2.gz HEVSMPMBZKDQIF-ROUUACIJSA-N 2 1 327.497 3.835 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435617709 1025036581 /nfs/dbraw/zinc/03/65/81/1025036581.db2.gz NZTIHRAOROGIJF-NRSPTQNISA-N 2 1 345.531 3.621 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435617709 1025036595 /nfs/dbraw/zinc/03/65/95/1025036595.db2.gz NZTIHRAOROGIJF-NRSPTQNISA-N 2 1 345.531 3.621 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)C[NH+]1CCCC1 ZINC000657319066 1025122509 /nfs/dbraw/zinc/12/25/09/1025122509.db2.gz QOLSPRKCHMSHDX-MRXNPFEDSA-N 2 1 343.446 3.835 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000157854551 1025173792 /nfs/dbraw/zinc/17/37/92/1025173792.db2.gz MYJMRROPDYPLKB-IRXDYDNUSA-N 2 1 331.504 3.950 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276378 1025223546 /nfs/dbraw/zinc/22/35/46/1025223546.db2.gz BCSXQQFSLSXMHN-NJYVYQBISA-N 2 1 341.543 3.538 20 0 EHADMP C[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001168040370 1025316506 /nfs/dbraw/zinc/31/65/06/1025316506.db2.gz LUAOHKBFLPEEDG-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001168040370 1025316516 /nfs/dbraw/zinc/31/65/16/1025316516.db2.gz LUAOHKBFLPEEDG-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP CCCCCc1ccc([C@H](CC)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290686 1025430425 /nfs/dbraw/zinc/43/04/25/1025430425.db2.gz HFALTNUNROPEHN-SFHVURJKSA-N 2 1 342.487 3.615 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442710499 1025436867 /nfs/dbraw/zinc/43/68/67/1025436867.db2.gz QAYDLXKMRLGCEN-SJORKVTESA-N 2 1 325.500 3.879 20 0 EHADMP CC(C)Cn1nccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000648001867 1025451292 /nfs/dbraw/zinc/45/12/92/1025451292.db2.gz PNYMCZGCDRANBZ-UHFFFAOYSA-N 2 1 332.536 3.627 20 0 EHADMP C[NH+](C)[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442721373 1025453005 /nfs/dbraw/zinc/45/30/05/1025453005.db2.gz UBQFAARVTQGAJR-IIBYNOLFSA-N 2 1 325.500 3.735 20 0 EHADMP CC[C@H](C)[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000442752730 1025466126 /nfs/dbraw/zinc/46/61/26/1025466126.db2.gz TYNXVSAVTZHXES-YOEHRIQHSA-N 2 1 328.460 3.768 20 0 EHADMP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442787574 1025484681 /nfs/dbraw/zinc/48/46/81/1025484681.db2.gz XDTBWIOMOVWMQX-WCRBZPEASA-N 2 1 349.478 3.654 20 0 EHADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442787574 1025484690 /nfs/dbraw/zinc/48/46/90/1025484690.db2.gz XDTBWIOMOVWMQX-WCRBZPEASA-N 2 1 349.478 3.654 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436246182 1025494773 /nfs/dbraw/zinc/49/47/73/1025494773.db2.gz YAKKMCBCPNBTSM-YUVXSKOASA-N 2 1 344.543 3.877 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000474804465 1025502834 /nfs/dbraw/zinc/50/28/34/1025502834.db2.gz OYAOPPMQTQNOTD-DFEOGRTESA-N 2 1 336.545 3.926 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000474804465 1025502843 /nfs/dbraw/zinc/50/28/43/1025502843.db2.gz OYAOPPMQTQNOTD-DFEOGRTESA-N 2 1 336.545 3.926 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436268667 1025507978 /nfs/dbraw/zinc/50/79/78/1025507978.db2.gz HUQIAHXJAGDMSG-OAHLLOKOSA-N 2 1 332.517 3.882 20 0 EHADMP C[N@@H+](Cc1cccc(OCc2ccccc2F)c1)C1CC[NH2+]CC1 ZINC000347106970 1025511207 /nfs/dbraw/zinc/51/12/07/1025511207.db2.gz OBSLQTMZNVVGMU-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1(C)C ZINC000442873404 1025547439 /nfs/dbraw/zinc/54/74/39/1025547439.db2.gz KPMSZPLQTIVQSC-OAQYLSRUSA-N 2 1 343.559 3.924 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436292568 1025555980 /nfs/dbraw/zinc/55/59/80/1025555980.db2.gz SNVHFXHQRGSRAI-FQEVSTJZSA-N 2 1 330.516 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000436292628 1025556764 /nfs/dbraw/zinc/55/67/64/1025556764.db2.gz BMJNQCRMKHYXDI-GIUOSPMZSA-N 2 1 348.506 3.798 20 0 EHADMP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000521695004 1025595993 /nfs/dbraw/zinc/59/59/93/1025595993.db2.gz GYHFOFJQFCXGIW-UTKZUKDTSA-N 2 1 328.500 3.601 20 0 EHADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c(-c2ccccc2Cl)n1 ZINC000414881800 1025604175 /nfs/dbraw/zinc/60/41/75/1025604175.db2.gz AVWABWQUBVVGTA-QGZVFWFLSA-N 2 1 346.906 3.785 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)[C@@H]1c1cccs1 ZINC000657375274 1025663621 /nfs/dbraw/zinc/66/36/21/1025663621.db2.gz XEDOVEOMTMJRMT-QFBILLFUSA-N 2 1 344.528 3.527 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)[C@@H]1c1cccs1 ZINC000657375274 1025663636 /nfs/dbraw/zinc/66/36/36/1025663636.db2.gz XEDOVEOMTMJRMT-QFBILLFUSA-N 2 1 344.528 3.527 20 0 EHADMP COc1ccc2cc(C[NH2+]CCC[NH2+]Cc3cccnc3)ccc2c1 ZINC000414884118 1025703376 /nfs/dbraw/zinc/70/33/76/1025703376.db2.gz UQISLBXDPFOMKY-UHFFFAOYSA-N 2 1 335.451 3.513 20 0 EHADMP c1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)noc1-c1ccccc1 ZINC000367022673 1025731709 /nfs/dbraw/zinc/73/17/09/1025731709.db2.gz QKFBSAMYTLNKEB-UHFFFAOYSA-N 2 1 325.456 3.649 20 0 EHADMP CSC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000530407414 1025780602 /nfs/dbraw/zinc/78/06/02/1025780602.db2.gz XJSXWZMDSGKZPO-OAHLLOKOSA-N 2 1 343.418 3.675 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@]3(CCOC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044102 1025815448 /nfs/dbraw/zinc/81/54/48/1025815448.db2.gz FHXDLOPUEFQTSV-OPYAIIAOSA-N 2 1 328.500 3.540 20 0 EHADMP COc1ccc2nc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)sc2c1 ZINC000530447243 1025817063 /nfs/dbraw/zinc/81/70/63/1025817063.db2.gz CCVRAYLDAASYNU-UHFFFAOYSA-N 2 1 347.528 3.857 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000582328438 1025857707 /nfs/dbraw/zinc/85/77/07/1025857707.db2.gz YHNYBJAUWBWMAC-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000582328438 1025857734 /nfs/dbraw/zinc/85/77/34/1025857734.db2.gz YHNYBJAUWBWMAC-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000582328438 1025857761 /nfs/dbraw/zinc/85/77/61/1025857761.db2.gz YHNYBJAUWBWMAC-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000657396601 1025920826 /nfs/dbraw/zinc/92/08/26/1025920826.db2.gz NWMPQKFACRNMFI-OAHLLOKOSA-N 2 1 335.455 3.638 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000103142995 1026068540 /nfs/dbraw/zinc/06/85/40/1026068540.db2.gz KIVAVFKCEPBBHG-UHFFFAOYSA-N 2 1 348.494 3.678 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC3(C2)CCOCC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054739 1026085747 /nfs/dbraw/zinc/08/57/47/1026085747.db2.gz TXENLUDLDLRHHN-RTBURBONSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C2)CCOCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054735 1026085832 /nfs/dbraw/zinc/08/58/32/1026085832.db2.gz TXENLUDLDLRHHN-CEQLMSFQSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054735 1026085851 /nfs/dbraw/zinc/08/58/51/1026085851.db2.gz TXENLUDLDLRHHN-CEQLMSFQSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CCOCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054735 1026085868 /nfs/dbraw/zinc/08/58/68/1026085868.db2.gz TXENLUDLDLRHHN-CEQLMSFQSA-N 2 1 342.527 3.931 20 0 EHADMP CC[N@@H+](C)C1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056253 1026171431 /nfs/dbraw/zinc/17/14/31/1026171431.db2.gz DWXUAVWRIDHIPG-RTBURBONSA-N 2 1 343.559 3.844 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(Br)c1 ZINC000475136826 1026227202 /nfs/dbraw/zinc/22/72/02/1026227202.db2.gz PYHVQUUYOAGLIA-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(Br)c1 ZINC000475136826 1026227212 /nfs/dbraw/zinc/22/72/12/1026227212.db2.gz PYHVQUUYOAGLIA-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056541 1026229010 /nfs/dbraw/zinc/22/90/10/1026229010.db2.gz FXRMGKZPLFQUQN-WQIFRTTPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056541 1026229022 /nfs/dbraw/zinc/22/90/22/1026229022.db2.gz FXRMGKZPLFQUQN-WQIFRTTPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056541 1026229036 /nfs/dbraw/zinc/22/90/36/1026229036.db2.gz FXRMGKZPLFQUQN-WQIFRTTPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000530701279 1026229440 /nfs/dbraw/zinc/22/94/40/1026229440.db2.gz CECNZFWJODJABK-CALCHBBNSA-N 2 1 334.479 3.537 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000657433201 1026293539 /nfs/dbraw/zinc/29/35/39/1026293539.db2.gz OYIIYTKKBRENFB-ZDUSSCGKSA-N 2 1 340.309 3.507 20 0 EHADMP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000475278359 1026428913 /nfs/dbraw/zinc/42/89/13/1026428913.db2.gz VJGBWMFPEZUJDA-WIYYLYMNSA-N 2 1 330.516 3.551 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@]3(C2)CCCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062140 1026518787 /nfs/dbraw/zinc/51/87/87/1026518787.db2.gz JCNFAALIKSXLEM-KNKQGSTJSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000531143619 1026626961 /nfs/dbraw/zinc/62/69/61/1026626961.db2.gz BBINMXCDKSCVSB-GDBMZVCRSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000531143619 1026626966 /nfs/dbraw/zinc/62/69/66/1026626966.db2.gz BBINMXCDKSCVSB-GDBMZVCRSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143619 1026626975 /nfs/dbraw/zinc/62/69/75/1026626975.db2.gz BBINMXCDKSCVSB-GDBMZVCRSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000531143619 1026626980 /nfs/dbraw/zinc/62/69/80/1026626980.db2.gz BBINMXCDKSCVSB-GDBMZVCRSA-N 2 1 344.421 3.889 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CC=CCC3)CC2)cs1 ZINC000122672570 1026640650 /nfs/dbraw/zinc/64/06/50/1026640650.db2.gz PUSQZPROQXMTPZ-INIZCTEOSA-N 2 1 333.545 3.863 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000342678431 1026691136 /nfs/dbraw/zinc/69/11/36/1026691136.db2.gz YODMXOPKVUZTLF-UONOGXRCSA-N 2 1 325.884 3.659 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000342678431 1026691137 /nfs/dbraw/zinc/69/11/37/1026691137.db2.gz YODMXOPKVUZTLF-UONOGXRCSA-N 2 1 325.884 3.659 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)o1 ZINC000894267834 1027152065 /nfs/dbraw/zinc/15/20/65/1027152065.db2.gz DPPCZGDADBJTBM-SFHVURJKSA-N 2 1 328.456 3.679 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000513712659 1027215712 /nfs/dbraw/zinc/21/57/12/1027215712.db2.gz DZLOYSQYAZKEBW-CWRNSKLLSA-N 2 1 327.299 3.998 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000126667537 1027226983 /nfs/dbraw/zinc/22/69/83/1027226983.db2.gz LMQVQBSYHKYAIC-QFIPXVFZSA-N 2 1 337.511 3.675 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000273150849 1027284470 /nfs/dbraw/zinc/28/44/70/1027284470.db2.gz HQGVNGCWMBVJJN-HKUYNNGSSA-N 2 1 348.506 3.627 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncn1 ZINC000453127630 1027427783 /nfs/dbraw/zinc/42/77/83/1027427783.db2.gz PUQZGWZMKJBKSV-MRXNPFEDSA-N 2 1 336.439 3.552 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C12CCC2 ZINC000453131664 1027435157 /nfs/dbraw/zinc/43/51/57/1027435157.db2.gz PIPLLWUOMJIJPK-ZOCIIQOWSA-N 2 1 325.456 3.789 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453138808 1027447771 /nfs/dbraw/zinc/44/77/71/1027447771.db2.gz DTOHYTPCGMEYAQ-NJYVYQBISA-N 2 1 342.527 3.836 20 0 EHADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420328294 1027479647 /nfs/dbraw/zinc/47/96/47/1027479647.db2.gz ZCESDPWZJADMNY-HUUCEWRRSA-N 2 1 344.421 3.714 20 0 EHADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000420361989 1027488064 /nfs/dbraw/zinc/48/80/64/1027488064.db2.gz AAKBHXITNWIXBW-HOCLYGCPSA-N 2 1 326.406 3.884 20 0 EHADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)C1CC[NH2+]CC1 ZINC000420369407 1027493742 /nfs/dbraw/zinc/49/37/42/1027493742.db2.gz IXBKYNJIYDQCSM-INIZCTEOSA-N 2 1 333.545 3.591 20 0 EHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000420370452 1027494590 /nfs/dbraw/zinc/49/45/90/1027494590.db2.gz VTBPMJDXEDTRHP-OAHLLOKOSA-N 2 1 332.410 3.827 20 0 EHADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000420409203 1027525899 /nfs/dbraw/zinc/52/58/99/1027525899.db2.gz WSPGSZBDEACXAQ-KBXCAEBGSA-N 2 1 329.875 3.852 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261795135 1027673389 /nfs/dbraw/zinc/67/33/89/1027673389.db2.gz ZHRYEBWHQRBBQP-PWRODBHTSA-N 2 1 329.532 3.539 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)nc1 ZINC000179100079 1027689613 /nfs/dbraw/zinc/68/96/13/1027689613.db2.gz PYEXMVBTILFZLC-OAHLLOKOSA-N 2 1 329.875 3.834 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)nc1 ZINC000179100079 1027689630 /nfs/dbraw/zinc/68/96/30/1027689630.db2.gz PYEXMVBTILFZLC-OAHLLOKOSA-N 2 1 329.875 3.834 20 0 EHADMP CCC[N@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000342858870 1027698828 /nfs/dbraw/zinc/69/88/28/1027698828.db2.gz HHNNOMZEXIXCQI-UHFFFAOYSA-N 2 1 348.878 3.586 20 0 EHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000342858870 1027698840 /nfs/dbraw/zinc/69/88/40/1027698840.db2.gz HHNNOMZEXIXCQI-UHFFFAOYSA-N 2 1 348.878 3.586 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000342861532 1027707115 /nfs/dbraw/zinc/70/71/15/1027707115.db2.gz XRPVMWBOPYWREJ-UHFFFAOYSA-N 2 1 339.483 3.961 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000342861532 1027707131 /nfs/dbraw/zinc/70/71/31/1027707131.db2.gz XRPVMWBOPYWREJ-UHFFFAOYSA-N 2 1 339.483 3.961 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607472 1027791464 /nfs/dbraw/zinc/79/14/64/1027791464.db2.gz GTCBJVHUXQOZIE-HZPDHXFCSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607472 1027791481 /nfs/dbraw/zinc/79/14/81/1027791481.db2.gz GTCBJVHUXQOZIE-HZPDHXFCSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607472 1027791500 /nfs/dbraw/zinc/79/15/00/1027791500.db2.gz GTCBJVHUXQOZIE-HZPDHXFCSA-N 2 1 329.513 3.960 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@@H]1C[NH3+] ZINC000422631449 1027829768 /nfs/dbraw/zinc/82/97/68/1027829768.db2.gz FNULXOFWXMARDO-NUJGCVRESA-N 2 1 325.456 3.679 20 0 EHADMP Cc1ccsc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909987 1027852479 /nfs/dbraw/zinc/85/24/79/1027852479.db2.gz ZAQFIEZCUAZBFB-UHFFFAOYSA-N 2 1 330.497 3.521 20 0 EHADMP Cc1ccsc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909987 1027852484 /nfs/dbraw/zinc/85/24/84/1027852484.db2.gz ZAQFIEZCUAZBFB-UHFFFAOYSA-N 2 1 330.497 3.521 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066411 1027896102 /nfs/dbraw/zinc/89/61/02/1027896102.db2.gz CFMKCRLBKOPELD-YADHBBJMSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339066411 1027896122 /nfs/dbraw/zinc/89/61/22/1027896122.db2.gz CFMKCRLBKOPELD-YADHBBJMSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066411 1027896135 /nfs/dbraw/zinc/89/61/35/1027896135.db2.gz CFMKCRLBKOPELD-YADHBBJMSA-N 2 1 341.543 3.779 20 0 EHADMP FC(F)Oc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422760728 1027901093 /nfs/dbraw/zinc/90/10/93/1027901093.db2.gz HARYZTSGKNPORC-SFHVURJKSA-N 2 1 332.394 3.719 20 0 EHADMP CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915424 1027901955 /nfs/dbraw/zinc/90/19/55/1027901955.db2.gz LPUOIEJWECCRDD-PMACEKPBSA-N 2 1 348.556 3.625 20 0 EHADMP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915424 1027901965 /nfs/dbraw/zinc/90/19/65/1027901965.db2.gz LPUOIEJWECCRDD-PMACEKPBSA-N 2 1 348.556 3.625 20 0 EHADMP Cc1cccc(C(C)(C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420954092 1027917158 /nfs/dbraw/zinc/91/71/58/1027917158.db2.gz VUOUXMBSSOOTJM-UHFFFAOYSA-N 2 1 338.495 3.852 20 0 EHADMP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422787838 1027942443 /nfs/dbraw/zinc/94/24/43/1027942443.db2.gz QOGFVPUURHVYNG-ZOCIIQOWSA-N 2 1 332.875 3.576 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000422808062 1027956852 /nfs/dbraw/zinc/95/68/52/1027956852.db2.gz PZTXFGHAQKNRHD-QTJFZDIUSA-N 2 1 335.451 3.831 20 0 EHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414697403 1027980801 /nfs/dbraw/zinc/98/08/01/1027980801.db2.gz WKZAQLGVLYXRCD-RCLSDMTESA-N 2 1 329.532 3.532 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])c[nH]c21 ZINC000422912204 1028046102 /nfs/dbraw/zinc/04/61/02/1028046102.db2.gz MOYHTASAOAQLJP-KKSFZXQISA-N 2 1 335.495 3.821 20 0 EHADMP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422922414 1028055251 /nfs/dbraw/zinc/05/52/51/1028055251.db2.gz SQIMGIOAMKAPMK-ZOCIIQOWSA-N 2 1 332.875 3.576 20 0 EHADMP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657677651 1028061245 /nfs/dbraw/zinc/06/12/45/1028061245.db2.gz GBICYBJMNVZSAF-IBGZPJMESA-N 2 1 327.516 3.652 20 0 EHADMP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657677651 1028061262 /nfs/dbraw/zinc/06/12/62/1028061262.db2.gz GBICYBJMNVZSAF-IBGZPJMESA-N 2 1 327.516 3.652 20 0 EHADMP C[C@H](CC1CCCC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533548923 1028064692 /nfs/dbraw/zinc/06/46/92/1028064692.db2.gz IZJFUSPEMGNZTI-SJLPKXTDSA-N 2 1 335.561 3.595 20 0 EHADMP COc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000422935436 1028065657 /nfs/dbraw/zinc/06/56/57/1028065657.db2.gz AKHOZOLAWCCGFJ-AZUAARDMSA-N 2 1 328.431 3.655 20 0 EHADMP [NH3+][C@H]1CCC[C@H]1NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963996 1028076203 /nfs/dbraw/zinc/07/62/03/1028076203.db2.gz KDMKEAAINSRZEL-XZOQPEGZSA-N 2 1 349.522 3.919 20 0 EHADMP N[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963996 1028076223 /nfs/dbraw/zinc/07/62/23/1028076223.db2.gz KDMKEAAINSRZEL-XZOQPEGZSA-N 2 1 349.522 3.919 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967715 1028080498 /nfs/dbraw/zinc/08/04/98/1028080498.db2.gz CGXCZTRMNNMVHU-INDMIFKZSA-N 2 1 333.520 3.563 20 0 EHADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)o2)cs1 ZINC000422949119 1028086190 /nfs/dbraw/zinc/08/61/90/1028086190.db2.gz SWCQGQVOXNJAOX-ARFHVFGLSA-N 2 1 331.485 3.722 20 0 EHADMP C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970221 1028102039 /nfs/dbraw/zinc/10/20/39/1028102039.db2.gz VWJIANNARRELOS-VGOFRKELSA-N 3 1 337.511 3.503 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006342 1028119443 /nfs/dbraw/zinc/11/94/43/1028119443.db2.gz VGEJGGPUFSKUOD-GFOJFJKKSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCCC[C@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006342 1028119458 /nfs/dbraw/zinc/11/94/58/1028119458.db2.gz VGEJGGPUFSKUOD-GFOJFJKKSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCCC[C@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006342 1028119472 /nfs/dbraw/zinc/11/94/72/1028119472.db2.gz VGEJGGPUFSKUOD-GFOJFJKKSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1F ZINC000423015620 1028126855 /nfs/dbraw/zinc/12/68/55/1028126855.db2.gz AHNHSFHONXLWQC-QKMWGZLOSA-N 2 1 344.405 3.871 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)CC1([NH3+])CCC1)C1CCCCC1 ZINC000237166454 1028143374 /nfs/dbraw/zinc/14/33/74/1028143374.db2.gz ITLJQEHQWGOGJC-UHFFFAOYSA-N 2 1 329.488 3.661 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423065425 1028155758 /nfs/dbraw/zinc/15/57/58/1028155758.db2.gz UKLPOSPWXCGMEA-JCGIZDLHSA-N 2 1 336.401 3.881 20 0 EHADMP C[C@H]1C[C@H](NCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000135200480 1028174086 /nfs/dbraw/zinc/17/40/86/1028174086.db2.gz RTBRINPXVILTDQ-GXFFZTMASA-N 2 1 331.685 3.675 20 0 EHADMP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098212 1028180641 /nfs/dbraw/zinc/18/06/41/1028180641.db2.gz COSSIZFZFIANKW-XMMBUWISSA-N 3 1 349.950 3.971 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421339 1028207294 /nfs/dbraw/zinc/20/72/94/1028207294.db2.gz XVEVZQMDZJHGBB-WSTZPKSXSA-N 2 1 340.515 3.680 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423298136 1028355900 /nfs/dbraw/zinc/35/59/00/1028355900.db2.gz NHJFUQNXNGUYHG-QAPCUYQASA-N 2 1 334.508 3.728 20 0 EHADMP CC(C)N1CCc2nc(C[N@H+]3CC[C@@H](C4CCCC4)C3)sc2C1 ZINC000421388877 1028364230 /nfs/dbraw/zinc/36/42/30/1028364230.db2.gz KZSBRTYNHWTAMR-MRXNPFEDSA-N 2 1 333.545 3.922 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C4CCCC4)C3)sc2C1 ZINC000421388877 1028364246 /nfs/dbraw/zinc/36/42/46/1028364246.db2.gz KZSBRTYNHWTAMR-MRXNPFEDSA-N 2 1 333.545 3.922 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C4CCCC4)C3)sc2C1 ZINC000421388877 1028364277 /nfs/dbraw/zinc/36/42/77/1028364277.db2.gz KZSBRTYNHWTAMR-MRXNPFEDSA-N 2 1 333.545 3.922 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C4CCCC4)C3)sc2C1 ZINC000421388877 1028364294 /nfs/dbraw/zinc/36/42/94/1028364294.db2.gz KZSBRTYNHWTAMR-MRXNPFEDSA-N 2 1 333.545 3.922 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423333681 1028371508 /nfs/dbraw/zinc/37/15/08/1028371508.db2.gz QFBWZYKNZWQQNZ-ZBEGNZNMSA-N 2 1 332.822 3.982 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423336116 1028371376 /nfs/dbraw/zinc/37/13/76/1028371376.db2.gz JHHNFGRMANLMSL-RTWAWAEBSA-N 2 1 342.458 3.903 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423406875 1028422857 /nfs/dbraw/zinc/42/28/57/1028422857.db2.gz VFOLURCHUOQRNL-SWHYSGLUSA-N 2 1 329.271 3.795 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc(-c2ccccc2)n1C ZINC000423406071 1028422927 /nfs/dbraw/zinc/42/29/27/1028422927.db2.gz YJEKTUHKGXRBKN-OAHLLOKOSA-N 2 1 332.451 3.541 20 0 EHADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168265265 1028424856 /nfs/dbraw/zinc/42/48/56/1028424856.db2.gz QDQQDNHGXWCBAS-RCZSKKKRSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168265265 1028424867 /nfs/dbraw/zinc/42/48/67/1028424867.db2.gz QDQQDNHGXWCBAS-RCZSKKKRSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168265265 1028424873 /nfs/dbraw/zinc/42/48/73/1028424873.db2.gz QDQQDNHGXWCBAS-RCZSKKKRSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1 ZINC000423522586 1028496441 /nfs/dbraw/zinc/49/64/41/1028496441.db2.gz UZFFKSXVWJXATD-ACBHZAAOSA-N 2 1 335.923 3.597 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4sccc43)CC2)nc(C)[nH+]1 ZINC000162290011 1028546638 /nfs/dbraw/zinc/54/66/38/1028546638.db2.gz TZSQDGGFFDNNMG-QGZVFWFLSA-N 2 1 342.512 3.791 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1F ZINC000153728064 1028664425 /nfs/dbraw/zinc/66/44/25/1028664425.db2.gz XTFZHLRJVOTFKE-KRWDZBQOSA-N 2 1 331.435 3.756 20 0 EHADMP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168266026 1028688716 /nfs/dbraw/zinc/68/87/16/1028688716.db2.gz ZZWVVGCKTMRHKU-NRSPTQNISA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168266026 1028688726 /nfs/dbraw/zinc/68/87/26/1028688726.db2.gz ZZWVVGCKTMRHKU-NRSPTQNISA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168266026 1028688733 /nfs/dbraw/zinc/68/87/33/1028688733.db2.gz ZZWVVGCKTMRHKU-NRSPTQNISA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168266026 1028688739 /nfs/dbraw/zinc/68/87/39/1028688739.db2.gz ZZWVVGCKTMRHKU-NRSPTQNISA-N 2 1 328.500 3.713 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000153783014 1028734487 /nfs/dbraw/zinc/73/44/87/1028734487.db2.gz LHRNZNMHGAFBRG-MRXNPFEDSA-N 2 1 328.431 3.509 20 0 EHADMP Cc1ccc(C(C)(C)NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cn1 ZINC000353171851 1028779424 /nfs/dbraw/zinc/77/94/24/1028779424.db2.gz BGZNQRFEKTUTAB-UHFFFAOYSA-N 2 1 344.528 3.638 20 0 EHADMP Cc1ccc(C(C)(C)NCc2nc3c(s2)CN(C(C)C)CC3)cn1 ZINC000353171851 1028779435 /nfs/dbraw/zinc/77/94/35/1028779435.db2.gz BGZNQRFEKTUTAB-UHFFFAOYSA-N 2 1 344.528 3.638 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421826355 1028815667 /nfs/dbraw/zinc/81/56/67/1028815667.db2.gz RYQVSYGFDBJRNW-YJYMSZOUSA-N 2 1 331.435 3.716 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Oc1cccnc1 ZINC000508530183 1028816186 /nfs/dbraw/zinc/81/61/86/1028816186.db2.gz GAICPQUGTOTQTH-LJQANCHMSA-N 2 1 339.483 3.956 20 0 EHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1Oc1cccnc1 ZINC000508530183 1028816192 /nfs/dbraw/zinc/81/61/92/1028816192.db2.gz GAICPQUGTOTQTH-LJQANCHMSA-N 2 1 339.483 3.956 20 0 EHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Oc1cccnc1 ZINC000508530183 1028816206 /nfs/dbraw/zinc/81/62/06/1028816206.db2.gz GAICPQUGTOTQTH-LJQANCHMSA-N 2 1 339.483 3.956 20 0 EHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000421862027 1028855854 /nfs/dbraw/zinc/85/58/54/1028855854.db2.gz WQVUWZDMFZOGJW-LSDHHAIUSA-N 2 1 340.895 3.500 20 0 EHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000421862027 1028855874 /nfs/dbraw/zinc/85/58/74/1028855874.db2.gz WQVUWZDMFZOGJW-LSDHHAIUSA-N 2 1 340.895 3.500 20 0 EHADMP CC[N@H+]1CC[C@H](NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000248172022 1028857056 /nfs/dbraw/zinc/85/70/56/1028857056.db2.gz UYBVQXMIHZDDCZ-OPYAIIAOSA-N 2 1 329.532 3.532 20 0 EHADMP CC[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000421863421 1028858241 /nfs/dbraw/zinc/85/82/41/1028858241.db2.gz WMHMHXAHJDPBHH-KOQKOIQBSA-N 2 1 330.516 3.977 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000421849292 1028875093 /nfs/dbraw/zinc/87/50/93/1028875093.db2.gz BNDDCEKFQGQFBD-ZGJYDULXSA-N 2 1 342.527 3.977 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248440774 1028902737 /nfs/dbraw/zinc/90/27/37/1028902737.db2.gz JSKAVYZWUASZOO-IAGOWNOFSA-N 2 1 331.504 3.808 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248442215 1028904355 /nfs/dbraw/zinc/90/43/55/1028904355.db2.gz KRHRYEMUEDAYBY-FOIQADDNSA-N 2 1 344.886 3.757 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000248459778 1028914101 /nfs/dbraw/zinc/91/41/01/1028914101.db2.gz VZBVQSNOKJWPJZ-IXDOHACOSA-N 2 1 331.504 3.664 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248461603 1028915196 /nfs/dbraw/zinc/91/51/96/1028915196.db2.gz XPYFMKODGGIAFY-IERDGZPVSA-N 2 1 342.458 3.633 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[C@@H](C4CC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000897500353 1028920459 /nfs/dbraw/zinc/92/04/59/1028920459.db2.gz FYXHLIUDESZNIG-GBAJDQEWSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[C@@H](C4CC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000897500353 1028920476 /nfs/dbraw/zinc/92/04/76/1028920476.db2.gz FYXHLIUDESZNIG-GBAJDQEWSA-N 2 1 340.511 3.902 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1OCC(F)(F)F)CC[NH2+]CC2 ZINC000424288662 1028928010 /nfs/dbraw/zinc/92/80/10/1028928010.db2.gz KWSXCLZJNFISGD-CQSZACIVSA-N 2 1 342.405 3.592 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000248883137 1028961949 /nfs/dbraw/zinc/96/19/49/1028961949.db2.gz LHJQFYMAEHIRJY-QNXAMLQOSA-N 2 1 328.500 3.678 20 0 EHADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000249125274 1028990782 /nfs/dbraw/zinc/99/07/82/1028990782.db2.gz UBUGZQXTSMDJLF-GFOJFJKKSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000249125274 1028990799 /nfs/dbraw/zinc/99/07/99/1028990799.db2.gz UBUGZQXTSMDJLF-GFOJFJKKSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000249125274 1028990809 /nfs/dbraw/zinc/99/08/09/1028990809.db2.gz UBUGZQXTSMDJLF-GFOJFJKKSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368516 1029032417 /nfs/dbraw/zinc/03/24/17/1029032417.db2.gz AFJPEPIXZUCASS-LBPRGKRZSA-N 2 1 330.369 3.809 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000154137011 1029033320 /nfs/dbraw/zinc/03/33/20/1029033320.db2.gz GBIDRPRBJLQPTB-NEWSRXKRSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000154137011 1029033335 /nfs/dbraw/zinc/03/33/35/1029033335.db2.gz GBIDRPRBJLQPTB-NEWSRXKRSA-N 2 1 333.520 3.515 20 0 EHADMP CC[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936727 1029090322 /nfs/dbraw/zinc/09/03/22/1029090322.db2.gz KILFXNOPNAAYNC-XJKSGUPXSA-N 2 1 330.394 3.534 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000261624265 1029118501 /nfs/dbraw/zinc/11/85/01/1029118501.db2.gz CKARQJWFHIUNDH-JQHSSLGASA-N 2 1 327.497 3.678 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000261624265 1029118510 /nfs/dbraw/zinc/11/85/10/1029118510.db2.gz CKARQJWFHIUNDH-JQHSSLGASA-N 2 1 327.497 3.678 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000271712486 1029133059 /nfs/dbraw/zinc/13/30/59/1029133059.db2.gz MUEZDSIJBURUSQ-VQIMIIECSA-N 2 1 328.456 3.569 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271759832 1029157943 /nfs/dbraw/zinc/15/79/43/1029157943.db2.gz ZJFMSVDTMDTNCH-PXAZEXFGSA-N 2 1 345.314 3.879 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271803113 1029178625 /nfs/dbraw/zinc/17/86/25/1029178625.db2.gz SHARGJPGSJOTHE-KXBFYZLASA-N 2 1 329.488 3.560 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000237410857 1029183206 /nfs/dbraw/zinc/18/32/06/1029183206.db2.gz JQMAPAAASAVJDI-MRXNPFEDSA-N 2 1 338.451 3.731 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743513 1029226441 /nfs/dbraw/zinc/22/64/41/1029226441.db2.gz SAXCSTNEKRGNMT-ITBHCLRTSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245743513 1029226454 /nfs/dbraw/zinc/22/64/54/1029226454.db2.gz SAXCSTNEKRGNMT-ITBHCLRTSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743513 1029226471 /nfs/dbraw/zinc/22/64/71/1029226471.db2.gz SAXCSTNEKRGNMT-ITBHCLRTSA-N 3 1 341.543 3.644 20 0 EHADMP Brc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075694 1029274929 /nfs/dbraw/zinc/27/49/29/1029274929.db2.gz BLTUOQMILIVULC-MAUKXSAKSA-N 2 1 349.316 3.898 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272197903 1029354407 /nfs/dbraw/zinc/35/44/07/1029354407.db2.gz NVNWABGEEAFLAL-YJBOKZPZSA-N 2 1 329.875 3.735 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000245908811 1029460895 /nfs/dbraw/zinc/46/08/95/1029460895.db2.gz FRDXYWLEKRHORI-RBUKOAKNSA-N 2 1 340.515 3.683 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261688518 1029483024 /nfs/dbraw/zinc/48/30/24/1029483024.db2.gz ASZUCTSZUMFSPU-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261688518 1029483031 /nfs/dbraw/zinc/48/30/31/1029483031.db2.gz ASZUCTSZUMFSPU-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000193159600 1029546081 /nfs/dbraw/zinc/54/60/81/1029546081.db2.gz IZJGUQXFGXWEHL-QGZVFWFLSA-N 2 1 335.289 3.653 20 0 EHADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703437 1029759841 /nfs/dbraw/zinc/75/98/41/1029759841.db2.gz YDRBMWLMLUTAMT-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](NCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703437 1029759847 /nfs/dbraw/zinc/75/98/47/1029759847.db2.gz YDRBMWLMLUTAMT-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](NCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703437 1029759856 /nfs/dbraw/zinc/75/98/56/1029759856.db2.gz YDRBMWLMLUTAMT-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709583 1029771211 /nfs/dbraw/zinc/77/12/11/1029771211.db2.gz IEOQKCBVMBFQMD-PXNSSMCTSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714447 1029775512 /nfs/dbraw/zinc/77/55/12/1029775512.db2.gz HDLSUOMUYGRAFK-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]([NH2+]CCc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714921 1029776154 /nfs/dbraw/zinc/77/61/54/1029776154.db2.gz HVDVDAGUBUXOHD-YLJYHZDGSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716227 1029797592 /nfs/dbraw/zinc/79/75/92/1029797592.db2.gz KJUGZDBCOUBZET-SFHLNBCPSA-N 2 1 338.495 3.954 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccco2)CC1 ZINC000127269757 1029858030 /nfs/dbraw/zinc/85/80/30/1029858030.db2.gz FMXWTZMCFIZTKH-HZPDHXFCSA-N 2 1 345.462 3.972 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccco2)CC1 ZINC000127269994 1029858347 /nfs/dbraw/zinc/85/83/47/1029858347.db2.gz FMXWTZMCFIZTKH-JKSUJKDBSA-N 2 1 345.462 3.972 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002530 1029935908 /nfs/dbraw/zinc/93/59/08/1029935908.db2.gz UAUIRQXJAZOCJN-FDQGKXFDSA-N 2 1 337.423 3.677 20 0 EHADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224326 1029939772 /nfs/dbraw/zinc/93/97/72/1029939772.db2.gz SFSUOWPSJBEDKG-KNQAVFIVSA-N 2 1 337.511 3.905 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC[C@H]1CCC[NH+]1C ZINC000120368039 1029972235 /nfs/dbraw/zinc/97/22/35/1029972235.db2.gz KDDNPIODPQZJCB-GOSISDBHSA-N 2 1 327.472 3.690 20 0 EHADMP C[NH+](CCCc1cc(-c2ccccc2)no1)CC[C@H]1CCC[N@@H+]1C ZINC000120368039 1029972260 /nfs/dbraw/zinc/97/22/60/1029972260.db2.gz KDDNPIODPQZJCB-GOSISDBHSA-N 2 1 327.472 3.690 20 0 EHADMP C[NH+](CCCc1cc(-c2ccccc2)no1)CC[C@H]1CCC[N@H+]1C ZINC000120368039 1029972268 /nfs/dbraw/zinc/97/22/68/1029972268.db2.gz KDDNPIODPQZJCB-GOSISDBHSA-N 2 1 327.472 3.690 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525625914 1029995975 /nfs/dbraw/zinc/99/59/75/1029995975.db2.gz SEHWRPWIKRTACY-XVAXZDLZSA-N 2 1 349.607 3.941 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000453264563 1029996633 /nfs/dbraw/zinc/99/66/33/1029996633.db2.gz AEXKXJMWFXBCGH-IZBJGVDFSA-N 2 1 346.515 3.625 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000453264563 1029996651 /nfs/dbraw/zinc/99/66/51/1029996651.db2.gz AEXKXJMWFXBCGH-IZBJGVDFSA-N 2 1 346.515 3.625 20 0 EHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000650708593 1030031427 /nfs/dbraw/zinc/03/14/27/1030031427.db2.gz GHTONCBSLRVKBY-ZONLJJFTSA-N 2 1 342.527 3.715 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712149 1030068037 /nfs/dbraw/zinc/06/80/37/1030068037.db2.gz SJUHPCCLYCDJBT-OXQOHEQNSA-N 2 1 339.483 3.707 20 0 EHADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c(F)c1 ZINC000650718040 1030138255 /nfs/dbraw/zinc/13/82/55/1030138255.db2.gz VVUDHOSLKHJVCR-UHFFFAOYSA-N 2 1 330.300 3.732 20 0 EHADMP [NH3+]Cc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)c(F)c1 ZINC000650718450 1030144305 /nfs/dbraw/zinc/14/43/05/1030144305.db2.gz NECNRZLPCGAPJM-UHFFFAOYSA-N 2 1 328.431 3.896 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCOc3ccccc3)CC23CC3)cc1 ZINC000567851469 1030146871 /nfs/dbraw/zinc/14/68/71/1030146871.db2.gz JTENKMNUZSVYKT-HXUWFJFHSA-N 2 1 336.479 3.852 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3ccccc3)CC23CC3)cc1 ZINC000567851469 1030146877 /nfs/dbraw/zinc/14/68/77/1030146877.db2.gz JTENKMNUZSVYKT-HXUWFJFHSA-N 2 1 336.479 3.852 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)[C@@H](C)C1 ZINC000531966814 1030153269 /nfs/dbraw/zinc/15/32/69/1030153269.db2.gz FOLMCEDZUKHHOY-BJLQDIEVSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)[C@@H](C)C1 ZINC000531966814 1030153273 /nfs/dbraw/zinc/15/32/73/1030153273.db2.gz FOLMCEDZUKHHOY-BJLQDIEVSA-N 2 1 348.531 3.791 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453359177 1030154645 /nfs/dbraw/zinc/15/46/45/1030154645.db2.gz JXGDACLKKLEXAX-HRTMPFAESA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453359177 1030154657 /nfs/dbraw/zinc/15/46/57/1030154657.db2.gz JXGDACLKKLEXAX-HRTMPFAESA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453359177 1030154665 /nfs/dbraw/zinc/15/46/65/1030154665.db2.gz JXGDACLKKLEXAX-HRTMPFAESA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CCC[N@H+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000453387555 1030168879 /nfs/dbraw/zinc/16/88/79/1030168879.db2.gz FKEKTXSNRBRZBR-MZADTFQBSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453387555 1030168887 /nfs/dbraw/zinc/16/88/87/1030168887.db2.gz FKEKTXSNRBRZBR-MZADTFQBSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453387555 1030168898 /nfs/dbraw/zinc/16/88/98/1030168898.db2.gz FKEKTXSNRBRZBR-MZADTFQBSA-N 2 1 341.543 3.646 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000650722135 1030207622 /nfs/dbraw/zinc/20/76/22/1030207622.db2.gz LZDRQPPCBNGMLD-HYVNUMGLSA-N 2 1 343.298 3.854 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650724175 1030219686 /nfs/dbraw/zinc/21/96/86/1030219686.db2.gz ZLQJOTYAYGWSIU-CEWLAPEOSA-N 2 1 346.515 3.582 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000157069789 1030238120 /nfs/dbraw/zinc/23/81/20/1030238120.db2.gz ROPZGWKVXHPWGA-NVXWUHKLSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000157069789 1030238125 /nfs/dbraw/zinc/23/81/25/1030238125.db2.gz ROPZGWKVXHPWGA-NVXWUHKLSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157069789 1030238129 /nfs/dbraw/zinc/23/81/29/1030238129.db2.gz ROPZGWKVXHPWGA-NVXWUHKLSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157069789 1030238136 /nfs/dbraw/zinc/23/81/36/1030238136.db2.gz ROPZGWKVXHPWGA-NVXWUHKLSA-N 2 1 344.421 3.550 20 0 EHADMP CCC[N@@H+](CCc1cccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667994173 1030303737 /nfs/dbraw/zinc/30/37/37/1030303737.db2.gz XIBNRSOFWNOLNI-UHFFFAOYSA-N 2 1 326.469 3.784 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000467521020 1030325256 /nfs/dbraw/zinc/32/52/56/1030325256.db2.gz OREQXFWRLXILPC-UHFFFAOYSA-N 2 1 332.822 3.859 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000467521020 1030325273 /nfs/dbraw/zinc/32/52/73/1030325273.db2.gz OREQXFWRLXILPC-UHFFFAOYSA-N 2 1 332.822 3.859 20 0 EHADMP CCC[N@H+](C)[C@@H](CNCc1cnc(C)n1C)c1ccc(Cl)cc1 ZINC000583642117 1030330073 /nfs/dbraw/zinc/33/00/73/1030330073.db2.gz PJRXPVNTKBQUCH-SFHVURJKSA-N 2 1 334.895 3.555 20 0 EHADMP CCC[N@@H+](C)[C@@H](CNCc1cnc(C)n1C)c1ccc(Cl)cc1 ZINC000583642117 1030330089 /nfs/dbraw/zinc/33/00/89/1030330089.db2.gz PJRXPVNTKBQUCH-SFHVURJKSA-N 2 1 334.895 3.555 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187674 1030466106 /nfs/dbraw/zinc/46/61/06/1030466106.db2.gz XQCOCKWJGAXSFO-HZPDHXFCSA-N 2 1 349.569 3.757 20 0 EHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000532188658 1030467123 /nfs/dbraw/zinc/46/71/23/1030467123.db2.gz YGMZKVOZUZNBNA-WMZOPIPTSA-N 2 1 335.561 3.595 20 0 EHADMP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000532239383 1030504788 /nfs/dbraw/zinc/50/47/88/1030504788.db2.gz ITQXHWFDHMQAHN-TZIWHRDSSA-N 2 1 348.506 3.626 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000532273585 1030519346 /nfs/dbraw/zinc/51/93/46/1030519346.db2.gz BLRBWDAGSFCZMK-JXFKEZNVSA-N 2 1 328.500 3.711 20 0 EHADMP C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)CC1CC[NH+](C)CC1 ZINC000482686010 1030638269 /nfs/dbraw/zinc/63/82/69/1030638269.db2.gz ZRJABRVOYQQLPU-UHFFFAOYSA-N 2 1 336.907 3.902 20 0 EHADMP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H]21 ZINC000657791475 1030670733 /nfs/dbraw/zinc/67/07/33/1030670733.db2.gz SWZKJPFVGGJSSY-BHDDXSALSA-N 2 1 336.454 3.718 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000448027627 1030684142 /nfs/dbraw/zinc/68/41/42/1030684142.db2.gz NSPOHTSIIUIQLA-HMXCVIKNSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448027627 1030684155 /nfs/dbraw/zinc/68/41/55/1030684155.db2.gz NSPOHTSIIUIQLA-HMXCVIKNSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448027627 1030684166 /nfs/dbraw/zinc/68/41/66/1030684166.db2.gz NSPOHTSIIUIQLA-HMXCVIKNSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448027627 1030684174 /nfs/dbraw/zinc/68/41/74/1030684174.db2.gz NSPOHTSIIUIQLA-HMXCVIKNSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000448027622 1030684565 /nfs/dbraw/zinc/68/45/65/1030684565.db2.gz NSPOHTSIIUIQLA-GIVPXCGWSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448027622 1030684579 /nfs/dbraw/zinc/68/45/79/1030684579.db2.gz NSPOHTSIIUIQLA-GIVPXCGWSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448027622 1030684583 /nfs/dbraw/zinc/68/45/83/1030684583.db2.gz NSPOHTSIIUIQLA-GIVPXCGWSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448027622 1030684591 /nfs/dbraw/zinc/68/45/91/1030684591.db2.gz NSPOHTSIIUIQLA-GIVPXCGWSA-N 2 1 343.559 3.607 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000080516282 1030709677 /nfs/dbraw/zinc/70/96/77/1030709677.db2.gz MEHZKWANGVJIRS-UHFFFAOYSA-N 2 1 342.668 3.787 20 0 EHADMP CC(C)[N@H+]1CC[C@H](CNCc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000568067819 1030718170 /nfs/dbraw/zinc/71/81/70/1030718170.db2.gz KXXWPKJLHXMEFD-LJQANCHMSA-N 2 1 338.499 3.669 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000568067819 1030718173 /nfs/dbraw/zinc/71/81/73/1030718173.db2.gz KXXWPKJLHXMEFD-LJQANCHMSA-N 2 1 338.499 3.669 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000568067819 1030718178 /nfs/dbraw/zinc/71/81/78/1030718178.db2.gz KXXWPKJLHXMEFD-LJQANCHMSA-N 2 1 338.499 3.669 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647901 1030771903 /nfs/dbraw/zinc/77/19/03/1030771903.db2.gz KJUXFOARHACTRW-GOSISDBHSA-N 2 1 328.500 3.564 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647901 1030771922 /nfs/dbraw/zinc/77/19/22/1030771922.db2.gz KJUXFOARHACTRW-GOSISDBHSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647901 1030771940 /nfs/dbraw/zinc/77/19/40/1030771940.db2.gz KJUXFOARHACTRW-GOSISDBHSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647901 1030771954 /nfs/dbraw/zinc/77/19/54/1030771954.db2.gz KJUXFOARHACTRW-GOSISDBHSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000650756717 1030775822 /nfs/dbraw/zinc/77/58/22/1030775822.db2.gz IJHRBQNADVDSIO-NUNAXRQHSA-N 3 1 349.522 3.691 20 0 EHADMP C[NH2+]Cc1ccccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000650756717 1030775834 /nfs/dbraw/zinc/77/58/34/1030775834.db2.gz IJHRBQNADVDSIO-NUNAXRQHSA-N 2 1 349.522 3.691 20 0 EHADMP C[NH2+]Cc1ccccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000650756717 1030775848 /nfs/dbraw/zinc/77/58/48/1030775848.db2.gz IJHRBQNADVDSIO-NUNAXRQHSA-N 2 1 349.522 3.691 20 0 EHADMP C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550895935 1030776704 /nfs/dbraw/zinc/77/67/04/1030776704.db2.gz YVSMCAAOBDVFBF-NYVOZVTQSA-N 2 1 344.543 3.675 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227908649 1030854941 /nfs/dbraw/zinc/85/49/41/1030854941.db2.gz JQGZKVFXUAHTJL-SECBINFHSA-N 2 1 337.714 3.725 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227908649 1030854955 /nfs/dbraw/zinc/85/49/55/1030854955.db2.gz JQGZKVFXUAHTJL-SECBINFHSA-N 2 1 337.714 3.725 20 0 EHADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)on2)cc1 ZINC000866709716 1030906302 /nfs/dbraw/zinc/90/63/02/1030906302.db2.gz ZHHNKVJIYXHIHG-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094148 1030984371 /nfs/dbraw/zinc/98/43/71/1030984371.db2.gz SCAIERHJYPMIHY-KGLIPLIRSA-N 2 1 342.405 3.523 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000172799894 1031000652 /nfs/dbraw/zinc/00/06/52/1031000652.db2.gz ZXOLCFVCXUMMBD-UHFFFAOYSA-N 2 1 344.455 3.526 20 0 EHADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000668227215 1031061777 /nfs/dbraw/zinc/06/17/77/1031061777.db2.gz DTPSEOHWYWITMI-IRJFHVNHSA-N 2 1 348.450 3.654 20 0 EHADMP COC1(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483266608 1031078792 /nfs/dbraw/zinc/07/87/92/1031078792.db2.gz BDVOHRIBHZINHD-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483266608 1031078808 /nfs/dbraw/zinc/07/88/08/1031078808.db2.gz BDVOHRIBHZINHD-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483266608 1031078823 /nfs/dbraw/zinc/07/88/23/1031078823.db2.gz BDVOHRIBHZINHD-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483266608 1031078838 /nfs/dbraw/zinc/07/88/38/1031078838.db2.gz BDVOHRIBHZINHD-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173386028 1031085183 /nfs/dbraw/zinc/08/51/83/1031085183.db2.gz JOOXEVDTAJILSS-CHWSQXEVSA-N 2 1 336.277 3.941 20 0 EHADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000527751076 1031205597 /nfs/dbraw/zinc/20/55/97/1031205597.db2.gz GOQVRBMVUJCQQV-QFIPXVFZSA-N 2 1 341.543 3.648 20 0 EHADMP Clc1cccc(-c2n[nH]cc2CNC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805755 1031277726 /nfs/dbraw/zinc/27/77/26/1031277726.db2.gz HSTHJYLTQQGWGQ-GOSISDBHSA-N 2 1 344.890 3.837 20 0 EHADMP Clc1cccc(-c2n[nH]cc2CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805755 1031277737 /nfs/dbraw/zinc/27/77/37/1031277737.db2.gz HSTHJYLTQQGWGQ-GOSISDBHSA-N 2 1 344.890 3.837 20 0 EHADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000584002202 1031372662 /nfs/dbraw/zinc/37/26/62/1031372662.db2.gz PIZSXVHMBHUSMW-NVXWUHKLSA-N 2 1 346.446 3.581 20 0 EHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527876468 1031405217 /nfs/dbraw/zinc/40/52/17/1031405217.db2.gz OLXCITDNMXVMQY-SNVBAGLBSA-N 2 1 345.231 3.640 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cc(F)c(Br)cc1F ZINC000527982271 1031519823 /nfs/dbraw/zinc/51/98/23/1031519823.db2.gz RYVMFQWFEBBUNY-IQMDTDKHSA-N 2 1 347.247 3.546 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960665 1031525348 /nfs/dbraw/zinc/52/53/48/1031525348.db2.gz CWLWKHDRRIIUJG-UWJYYQICSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960665 1031525356 /nfs/dbraw/zinc/52/53/56/1031525356.db2.gz CWLWKHDRRIIUJG-UWJYYQICSA-N 2 1 348.494 3.574 20 0 EHADMP COc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1C(F)(F)F ZINC001168357500 1031607901 /nfs/dbraw/zinc/60/79/01/1031607901.db2.gz CQJVETWMFFIIBF-UHFFFAOYSA-N 2 1 342.405 3.678 20 0 EHADMP Clc1c[nH+]ccc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343634165 1031720237 /nfs/dbraw/zinc/72/02/37/1031720237.db2.gz ULPXFCKOEDERII-LJQANCHMSA-N 2 1 327.859 3.837 20 0 EHADMP Clc1c[nH+]ccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343634165 1031720249 /nfs/dbraw/zinc/72/02/49/1031720249.db2.gz ULPXFCKOEDERII-LJQANCHMSA-N 2 1 327.859 3.837 20 0 EHADMP Cc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000584144878 1031809842 /nfs/dbraw/zinc/80/98/42/1031809842.db2.gz SQQNZXCJLWOXMV-DHIUTWEWSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000584144878 1031809858 /nfs/dbraw/zinc/80/98/58/1031809858.db2.gz SQQNZXCJLWOXMV-DHIUTWEWSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000584144878 1031809875 /nfs/dbraw/zinc/80/98/75/1031809875.db2.gz SQQNZXCJLWOXMV-DHIUTWEWSA-N 2 1 349.522 3.777 20 0 EHADMP C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)CC[C@@H]1C[NH3+] ZINC000904410862 1032023350 /nfs/dbraw/zinc/02/33/50/1032023350.db2.gz QYKDOQOTMBUIPX-DTWKUNHWSA-N 2 1 337.714 3.581 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)CC[C@@H]1C[NH3+] ZINC000904410862 1032023365 /nfs/dbraw/zinc/02/33/65/1032023365.db2.gz QYKDOQOTMBUIPX-DTWKUNHWSA-N 2 1 337.714 3.581 20 0 EHADMP COc1cc2c(c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)c1)O[C@H](C)C2 ZINC000536652565 1032034701 /nfs/dbraw/zinc/03/47/01/1032034701.db2.gz XSUQIQVGQXEJFP-MRXNPFEDSA-N 2 1 346.515 3.571 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000537953137 1032038851 /nfs/dbraw/zinc/03/88/51/1032038851.db2.gz HPBUSOQWIVEULB-DYVFJYSZSA-N 2 1 349.931 3.936 20 0 EHADMP Cc1cccc(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)[nH+]1 ZINC000459404558 1032047778 /nfs/dbraw/zinc/04/77/78/1032047778.db2.gz DIGDHQAEXBDKHG-UHFFFAOYSA-N 2 1 329.875 3.845 20 0 EHADMP C[N@H+]1CCN(CC[NH2+]CC2CCC(c3ccccc3)CC2)CC1(C)C ZINC000685431142 1033320028 /nfs/dbraw/zinc/32/00/28/1033320028.db2.gz CDWYKTFYDIZECF-UHFFFAOYSA-N 2 1 343.559 3.576 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000574670959 1033331352 /nfs/dbraw/zinc/33/13/52/1033331352.db2.gz KEJHTTPSHYUNKU-CABCVRRESA-N 2 1 339.911 3.762 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000574670959 1033331371 /nfs/dbraw/zinc/33/13/71/1033331371.db2.gz KEJHTTPSHYUNKU-CABCVRRESA-N 2 1 339.911 3.762 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1)CC(C)C ZINC000685462631 1033357062 /nfs/dbraw/zinc/35/70/62/1033357062.db2.gz LBMQCMWUCIAZME-UHFFFAOYSA-N 2 1 346.563 3.728 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccncc3)C3CC3)CC2)cc1 ZINC000898322819 1033434316 /nfs/dbraw/zinc/43/43/16/1033434316.db2.gz RYHBTJQYCBELAH-JOCHJYFZSA-N 2 1 335.495 3.829 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@H]1c1cccs1 ZINC000608059988 1033453096 /nfs/dbraw/zinc/45/30/96/1033453096.db2.gz UHTLKYYYMXFJTF-LIRRHRJNSA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@H]1c1cccs1 ZINC000608059988 1033453103 /nfs/dbraw/zinc/45/31/03/1033453103.db2.gz UHTLKYYYMXFJTF-LIRRHRJNSA-N 2 1 340.496 3.797 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000044532849 1033507957 /nfs/dbraw/zinc/50/79/57/1033507957.db2.gz UIUXHUNHOMSXHM-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289563343 1033563826 /nfs/dbraw/zinc/56/38/26/1033563826.db2.gz LFJFDOSPPIOUSE-HXUWFJFHSA-N 2 1 340.515 3.856 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289563343 1033563829 /nfs/dbraw/zinc/56/38/29/1033563829.db2.gz LFJFDOSPPIOUSE-HXUWFJFHSA-N 2 1 340.515 3.856 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168414055 1033565218 /nfs/dbraw/zinc/56/52/18/1033565218.db2.gz BYMISBOARUQTLT-HRAATJIYSA-N 2 1 326.459 3.780 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000595026462 1033617265 /nfs/dbraw/zinc/61/72/65/1033617265.db2.gz NYKOGTJMRJCZAP-IJEWVQPXSA-N 2 1 330.538 3.812 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000595026462 1033617272 /nfs/dbraw/zinc/61/72/72/1033617272.db2.gz NYKOGTJMRJCZAP-IJEWVQPXSA-N 2 1 330.538 3.812 20 0 EHADMP c1nc2ccccn2c1CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632373 1033644218 /nfs/dbraw/zinc/64/42/18/1033644218.db2.gz IKLRYKSRNNNCPX-HXUWFJFHSA-N 2 1 348.494 3.726 20 0 EHADMP c1nc2ccccn2c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685632373 1033644226 /nfs/dbraw/zinc/64/42/26/1033644226.db2.gz IKLRYKSRNNNCPX-HXUWFJFHSA-N 2 1 348.494 3.726 20 0 EHADMP c1nc2ccccn2c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632373 1033644229 /nfs/dbraw/zinc/64/42/29/1033644229.db2.gz IKLRYKSRNNNCPX-HXUWFJFHSA-N 2 1 348.494 3.726 20 0 EHADMP CC(C)c1[nH+]c(CNC2CC([NH+]3CCCCC3)C2)c2ccccn21 ZINC000574882409 1033672524 /nfs/dbraw/zinc/67/25/24/1033672524.db2.gz XZTNNDQMPPFHET-UHFFFAOYSA-N 2 1 326.488 3.564 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685665192 1033715441 /nfs/dbraw/zinc/71/54/41/1033715441.db2.gz IRXDFGXAPAWTQF-QFBILLFUSA-N 2 1 326.488 3.671 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665192 1033715457 /nfs/dbraw/zinc/71/54/57/1033715457.db2.gz IRXDFGXAPAWTQF-QFBILLFUSA-N 2 1 326.488 3.671 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)[C@@H]1c1cccs1 ZINC000550666163 1033834845 /nfs/dbraw/zinc/83/48/45/1033834845.db2.gz WZVUNAQQVPDYHX-FUHIMQAGSA-N 2 1 342.508 3.724 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)[C@@H]1c1cccs1 ZINC000550666163 1033834861 /nfs/dbraw/zinc/83/48/61/1033834861.db2.gz WZVUNAQQVPDYHX-FUHIMQAGSA-N 2 1 342.508 3.724 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)O1 ZINC000575122767 1033867240 /nfs/dbraw/zinc/86/72/40/1033867240.db2.gz CDAHAKMQPDCOCX-HNBVOPMISA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)O1 ZINC000575122767 1033867256 /nfs/dbraw/zinc/86/72/56/1033867256.db2.gz CDAHAKMQPDCOCX-HNBVOPMISA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550699282 1033889374 /nfs/dbraw/zinc/88/93/74/1033889374.db2.gz HIAPDGLPJKYFRJ-BHDDXSALSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550699282 1033889387 /nfs/dbraw/zinc/88/93/87/1033889387.db2.gz HIAPDGLPJKYFRJ-BHDDXSALSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550699282 1033889396 /nfs/dbraw/zinc/88/93/96/1033889396.db2.gz HIAPDGLPJKYFRJ-BHDDXSALSA-N 2 1 343.559 3.922 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@@H]1c1ccccc1 ZINC000550702771 1033892971 /nfs/dbraw/zinc/89/29/71/1033892971.db2.gz CDPNNQBBVGOLSG-ZWKOTPCHSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@@H]1c1ccccc1 ZINC000550702771 1033892977 /nfs/dbraw/zinc/89/29/77/1033892977.db2.gz CDPNNQBBVGOLSG-ZWKOTPCHSA-N 2 1 345.874 3.539 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001168322166 1034082512 /nfs/dbraw/zinc/08/25/12/1034082512.db2.gz OLZPYSOUKMAQRR-XBCQCDMNSA-N 2 1 342.527 3.898 20 0 EHADMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000534058797 1034085289 /nfs/dbraw/zinc/08/52/89/1034085289.db2.gz FRMDITYUSUKVAA-AWEZNQCLSA-N 2 1 331.685 3.631 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324063 1034134400 /nfs/dbraw/zinc/13/44/00/1034134400.db2.gz MGDGDTZPKRWNDG-LEWJYISDSA-N 2 1 335.580 3.693 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2ccsc2Br)CC1 ZINC000529525875 1034138250 /nfs/dbraw/zinc/13/82/50/1034138250.db2.gz DWFHEXLUCIJNNT-UHFFFAOYSA-N 2 1 331.323 3.674 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000658316595 1034191576 /nfs/dbraw/zinc/19/15/76/1034191576.db2.gz GALGAMPBOFRXFD-GOSISDBHSA-N 2 1 348.481 3.966 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCOC1 ZINC000658319656 1034196884 /nfs/dbraw/zinc/19/68/84/1034196884.db2.gz GPIVEJRDVAJGOB-TYPHKJRUSA-N 2 1 342.527 3.693 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000658332115 1034222741 /nfs/dbraw/zinc/22/27/41/1034222741.db2.gz RLLFXPLKKVXNQD-HDYDNRTBSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000421826016 1034230029 /nfs/dbraw/zinc/23/00/29/1034230029.db2.gz QOSUGYNCJIIAGU-OAQYLSRUSA-N 2 1 337.511 3.959 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(C2CCOCC2)C1 ZINC000669716239 1034409867 /nfs/dbraw/zinc/40/98/67/1034409867.db2.gz ZJVADBRHZBKIOT-UHFFFAOYSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000375852018 1034721617 /nfs/dbraw/zinc/72/16/17/1034721617.db2.gz MXUHHXUQVLQLJD-NRSPTQNISA-N 2 1 342.527 3.506 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000308355120 1034805920 /nfs/dbraw/zinc/80/59/20/1034805920.db2.gz YIIWYQSZVJXHBQ-JAGQDSLRSA-N 2 1 340.511 3.729 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]21 ZINC000322843813 1034854327 /nfs/dbraw/zinc/85/43/27/1034854327.db2.gz MPKBMVZFZQEMKO-VNQPRFMTSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]21 ZINC000322843813 1034854338 /nfs/dbraw/zinc/85/43/38/1034854338.db2.gz MPKBMVZFZQEMKO-VNQPRFMTSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]21 ZINC000322843810 1034854600 /nfs/dbraw/zinc/85/46/00/1034854600.db2.gz MPKBMVZFZQEMKO-CWRNSKLLSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]21 ZINC000322843810 1034854612 /nfs/dbraw/zinc/85/46/12/1034854612.db2.gz MPKBMVZFZQEMKO-CWRNSKLLSA-N 2 1 331.847 3.554 20 0 EHADMP CC1(C)CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570278920 1035175727 /nfs/dbraw/zinc/17/57/27/1035175727.db2.gz AOBOFVATADKVNS-DENIHFKCSA-N 2 1 342.527 3.714 20 0 EHADMP CC1(C)CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570278920 1035175733 /nfs/dbraw/zinc/17/57/33/1035175733.db2.gz AOBOFVATADKVNS-DENIHFKCSA-N 2 1 342.527 3.714 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431737986 1035399145 /nfs/dbraw/zinc/39/91/45/1035399145.db2.gz HQVWOTMCBMXRTI-ICSRJNTNSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431737986 1035399149 /nfs/dbraw/zinc/39/91/49/1035399149.db2.gz HQVWOTMCBMXRTI-ICSRJNTNSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431737986 1035399156 /nfs/dbraw/zinc/39/91/56/1035399156.db2.gz HQVWOTMCBMXRTI-ICSRJNTNSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1csc(-c2ccccc2)n1 ZINC000414069453 1035439037 /nfs/dbraw/zinc/43/90/37/1035439037.db2.gz RQEFYIMBBJTVMF-LSDHHAIUSA-N 2 1 327.497 3.945 20 0 EHADMP Brc1cccc(C2(NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000414098884 1035500344 /nfs/dbraw/zinc/50/03/44/1035500344.db2.gz PNSKXRLYOBRTKR-UHFFFAOYSA-N 2 1 335.289 3.655 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000471032786 1035520887 /nfs/dbraw/zinc/52/08/87/1035520887.db2.gz LWXPTFWEDCSOEO-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000471032786 1035520897 /nfs/dbraw/zinc/52/08/97/1035520897.db2.gz LWXPTFWEDCSOEO-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000471032786 1035520902 /nfs/dbraw/zinc/52/09/02/1035520902.db2.gz LWXPTFWEDCSOEO-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000471032786 1035520908 /nfs/dbraw/zinc/52/09/08/1035520908.db2.gz LWXPTFWEDCSOEO-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696892 1035595612 /nfs/dbraw/zinc/59/56/12/1035595612.db2.gz YQDHBNXIVCBBGX-DZGCQCFKSA-N 2 1 330.394 3.676 20 0 EHADMP C[C@@H](CC[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282287444 1035604635 /nfs/dbraw/zinc/60/46/35/1035604635.db2.gz RXZJAMIVBDUOIW-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372018 1035718786 /nfs/dbraw/zinc/71/87/86/1035718786.db2.gz FKFZKJCHICWUBT-IEBWSBKVSA-N 2 1 342.458 3.705 20 0 EHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C\c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000588177538 1035802652 /nfs/dbraw/zinc/80/26/52/1035802652.db2.gz ANJYWMZVERTFDW-GKBVLGDDSA-N 2 1 349.522 3.668 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCSc2ccncc2)C1 ZINC000929646478 1035846536 /nfs/dbraw/zinc/84/65/36/1035846536.db2.gz LZZAKXCYIDRSHO-ROUUACIJSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCSc2ccncc2)C1 ZINC000929646478 1035846552 /nfs/dbraw/zinc/84/65/52/1035846552.db2.gz LZZAKXCYIDRSHO-ROUUACIJSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCSc2ccncc2)C1 ZINC000929646478 1035846567 /nfs/dbraw/zinc/84/65/67/1035846567.db2.gz LZZAKXCYIDRSHO-ROUUACIJSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCSc2ccncc2)C1 ZINC000929646478 1035846579 /nfs/dbraw/zinc/84/65/79/1035846579.db2.gz LZZAKXCYIDRSHO-ROUUACIJSA-N 2 1 333.545 3.760 20 0 EHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000668817847 1035862071 /nfs/dbraw/zinc/86/20/71/1035862071.db2.gz AWBAVPKUYWCROT-APWZRJJASA-N 2 1 348.506 3.725 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171280 1035873994 /nfs/dbraw/zinc/87/39/94/1035873994.db2.gz DBXMHRUHRNVYLF-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000190723345 1036265159 /nfs/dbraw/zinc/26/51/59/1036265159.db2.gz UBUGZQXTSMDJLF-FYZZASKESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1CC[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000190723345 1036265181 /nfs/dbraw/zinc/26/51/81/1036265181.db2.gz UBUGZQXTSMDJLF-FYZZASKESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1CC[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000190723345 1036265201 /nfs/dbraw/zinc/26/52/01/1036265201.db2.gz UBUGZQXTSMDJLF-FYZZASKESA-N 2 1 328.500 3.540 20 0 EHADMP c1ccc(C[N@@H+](C2CCOCC2)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168390028 1036381064 /nfs/dbraw/zinc/38/10/64/1036381064.db2.gz DQSVNSGMMJHGCQ-UHFFFAOYSA-N 2 1 328.500 3.542 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCCS3)CC2)cc1 ZINC000541556498 1036450152 /nfs/dbraw/zinc/45/01/52/1036450152.db2.gz KPAHTGDBWPMOLZ-IBGZPJMESA-N 2 1 336.520 3.708 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CC1(F)F ZINC000666229569 1036522158 /nfs/dbraw/zinc/52/21/58/1036522158.db2.gz RLULLAXBQKLBHS-AIHBUXEESA-N 2 1 334.454 3.920 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000541744636 1036612850 /nfs/dbraw/zinc/61/28/50/1036612850.db2.gz UKWGFNVUFUWSHF-UYAOXDASSA-N 2 1 349.950 3.593 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccsc2C(=O)OC)c1 ZINC000892611829 1036643898 /nfs/dbraw/zinc/64/38/98/1036643898.db2.gz BFPLBIYEAGTHKF-UHFFFAOYSA-N 2 1 346.496 3.666 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000148047289 1036691519 /nfs/dbraw/zinc/69/15/19/1036691519.db2.gz FRWCQPTVBWFGQN-KGYLQXTDSA-N 2 1 329.307 3.521 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805250 1036740940 /nfs/dbraw/zinc/74/09/40/1036740940.db2.gz HXHKCJXKZHXIRY-UHFFFAOYSA-N 2 1 326.488 3.541 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000539499593 1036817469 /nfs/dbraw/zinc/81/74/69/1036817469.db2.gz IMRHDHWHFXFZAK-SFTDATJTSA-N 2 1 342.527 3.897 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000539509711 1036851624 /nfs/dbraw/zinc/85/16/24/1036851624.db2.gz YYLZLGOERSDFJA-NJYVYQBISA-N 2 1 342.527 3.964 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000462357445 1036867618 /nfs/dbraw/zinc/86/76/18/1036867618.db2.gz HPSXNYBMPGMYPX-DBXWQHBBSA-N 2 1 330.516 3.966 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000462357445 1036867634 /nfs/dbraw/zinc/86/76/34/1036867634.db2.gz HPSXNYBMPGMYPX-DBXWQHBBSA-N 2 1 330.516 3.966 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000539545351 1036896383 /nfs/dbraw/zinc/89/63/83/1036896383.db2.gz TYENIAQVUCSMTO-UHFFFAOYSA-N 2 1 332.394 3.793 20 0 EHADMP Fc1cccc(COc2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000647538751 1037012227 /nfs/dbraw/zinc/01/22/27/1037012227.db2.gz GGBXSGFCLQQNHF-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1cccc(COc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000647538751 1037012244 /nfs/dbraw/zinc/01/22/44/1037012244.db2.gz GGBXSGFCLQQNHF-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000178255683 1037013434 /nfs/dbraw/zinc/01/34/34/1037013434.db2.gz SKHZPGHFDYTHCD-LJQANCHMSA-N 2 1 336.907 3.806 20 0 EHADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000347420878 1037016361 /nfs/dbraw/zinc/01/63/61/1037016361.db2.gz URGCRQHYNBNVLN-KBRMVUAJSA-N 2 1 336.479 3.505 20 0 EHADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000347420878 1037016377 /nfs/dbraw/zinc/01/63/77/1037016377.db2.gz URGCRQHYNBNVLN-KBRMVUAJSA-N 2 1 336.479 3.505 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000532420124 1037066301 /nfs/dbraw/zinc/06/63/01/1037066301.db2.gz SENVPXCWDWFOTD-MRXNPFEDSA-N 2 1 348.487 3.543 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2ncccc12 ZINC000647543593 1037093598 /nfs/dbraw/zinc/09/35/98/1037093598.db2.gz PXUKHZDKPHCJJD-CVEARBPZSA-N 2 1 327.447 3.586 20 0 EHADMP FC(F)Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545674 1037116660 /nfs/dbraw/zinc/11/66/60/1037116660.db2.gz BPQMESXPUGYHEM-OLZOCXBDSA-N 2 1 344.833 3.763 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461385 1037349037 /nfs/dbraw/zinc/34/90/37/1037349037.db2.gz MTQNVQQRCQVSBN-XNFNUYLZSA-N 2 1 349.950 3.795 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000462783613 1037382862 /nfs/dbraw/zinc/38/28/62/1037382862.db2.gz RZOHZPHOTFHUKS-TUNNFDKTSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000462783611 1037383099 /nfs/dbraw/zinc/38/30/99/1037383099.db2.gz RZOHZPHOTFHUKS-KCZVDYSFSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000462797243 1037391267 /nfs/dbraw/zinc/39/12/67/1037391267.db2.gz CGXLVNLJPUIZGB-QGLKVJOYSA-N 2 1 336.564 3.929 20 0 EHADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311118925 1037409924 /nfs/dbraw/zinc/40/99/24/1037409924.db2.gz GQRZDMQGWVFREB-IFMALSPDSA-N 2 1 338.495 3.612 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)Cc1ccccc1 ZINC000462796668 1037410486 /nfs/dbraw/zinc/41/04/86/1037410486.db2.gz USGKMUWTHCBOQH-PWRODBHTSA-N 2 1 330.516 3.693 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796784 1037411491 /nfs/dbraw/zinc/41/14/91/1037411491.db2.gz WTVFLIOGCHJRBE-SFHVURJKSA-N 2 1 346.515 3.806 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796784 1037411506 /nfs/dbraw/zinc/41/15/06/1037411506.db2.gz WTVFLIOGCHJRBE-SFHVURJKSA-N 2 1 346.515 3.806 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796784 1037411517 /nfs/dbraw/zinc/41/15/17/1037411517.db2.gz WTVFLIOGCHJRBE-SFHVURJKSA-N 2 1 346.515 3.806 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796784 1037411529 /nfs/dbraw/zinc/41/15/29/1037411529.db2.gz WTVFLIOGCHJRBE-SFHVURJKSA-N 2 1 346.515 3.806 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)C2 ZINC000462796685 1037411891 /nfs/dbraw/zinc/41/18/91/1037411891.db2.gz UYCMCEIRWJOWLX-ILWGZMRPSA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)C2 ZINC000462796685 1037411899 /nfs/dbraw/zinc/41/18/99/1037411899.db2.gz UYCMCEIRWJOWLX-ILWGZMRPSA-N 2 1 342.527 3.620 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2C(C)C)CC1 ZINC000462839169 1037461179 /nfs/dbraw/zinc/46/11/79/1037461179.db2.gz HDFWWGOMLILUGL-FPOVZHCZSA-N 2 1 330.516 3.647 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423475350 1037495894 /nfs/dbraw/zinc/49/58/94/1037495894.db2.gz KEQUTFVUANMBPK-XVSSEFHLSA-N 2 1 328.369 3.578 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000540160943 1037617912 /nfs/dbraw/zinc/61/79/12/1037617912.db2.gz RZSFZRJDGVQCDJ-RYFAJOAYSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000540160943 1037617927 /nfs/dbraw/zinc/61/79/27/1037617927.db2.gz RZSFZRJDGVQCDJ-RYFAJOAYSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)C1 ZINC000540165821 1037650407 /nfs/dbraw/zinc/65/04/07/1037650407.db2.gz WYTVXNFBZGRRFP-IERDGZPVSA-N 2 1 328.500 3.850 20 0 EHADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000540219819 1037720718 /nfs/dbraw/zinc/72/07/18/1037720718.db2.gz OFOKZAKLBCBCNB-FMKPAKJESA-N 2 1 344.421 3.793 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315223 1037805420 /nfs/dbraw/zinc/80/54/20/1037805420.db2.gz GPJDFCQTLCOHOT-VXKWHMMOSA-N 2 1 338.495 3.610 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315223 1037805428 /nfs/dbraw/zinc/80/54/28/1037805428.db2.gz GPJDFCQTLCOHOT-VXKWHMMOSA-N 2 1 338.495 3.610 20 0 EHADMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000310937175 1037815808 /nfs/dbraw/zinc/81/58/08/1037815808.db2.gz VUYZJWVHCPYKCJ-IBGZPJMESA-N 2 1 336.483 3.925 20 0 EHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463193311 1037857791 /nfs/dbraw/zinc/85/77/91/1037857791.db2.gz RSFUOZLMALWMHI-OAQYLSRUSA-N 2 1 329.532 3.756 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463193311 1037857814 /nfs/dbraw/zinc/85/78/14/1037857814.db2.gz RSFUOZLMALWMHI-OAQYLSRUSA-N 2 1 329.532 3.756 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463237982 1037923367 /nfs/dbraw/zinc/92/33/67/1037923367.db2.gz SIRZWFHKELCPLA-BVYCBKJFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463237982 1037923382 /nfs/dbraw/zinc/92/33/82/1037923382.db2.gz SIRZWFHKELCPLA-BVYCBKJFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245065 1037931423 /nfs/dbraw/zinc/93/14/23/1037931423.db2.gz AQNLNVYMKXYFJW-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245065 1037931433 /nfs/dbraw/zinc/93/14/33/1037931433.db2.gz AQNLNVYMKXYFJW-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245065 1037931448 /nfs/dbraw/zinc/93/14/48/1037931448.db2.gz AQNLNVYMKXYFJW-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463245065 1037931486 /nfs/dbraw/zinc/93/14/86/1037931486.db2.gz AQNLNVYMKXYFJW-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245065 1037931493 /nfs/dbraw/zinc/93/14/93/1037931493.db2.gz AQNLNVYMKXYFJW-UZKOGDIHSA-N 2 1 341.543 3.646 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168253394 1038203906 /nfs/dbraw/zinc/20/39/06/1038203906.db2.gz YZUMMZWHFGLBIW-FHWLQOOXSA-N 2 1 330.516 3.780 20 0 EHADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538797859 1038536019 /nfs/dbraw/zinc/53/60/19/1038536019.db2.gz BUOQPVUNILOVBP-NQIIRXRSSA-N 2 1 328.500 3.923 20 0 EHADMP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538797859 1038536032 /nfs/dbraw/zinc/53/60/32/1038536032.db2.gz BUOQPVUNILOVBP-NQIIRXRSSA-N 2 1 328.500 3.923 20 0 EHADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000093412921 1038755136 /nfs/dbraw/zinc/75/51/36/1038755136.db2.gz LZZRSXWCHVDHSY-UHFFFAOYSA-N 2 1 338.495 3.632 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000093412921 1038755144 /nfs/dbraw/zinc/75/51/44/1038755144.db2.gz LZZRSXWCHVDHSY-UHFFFAOYSA-N 2 1 338.495 3.632 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048494 1038915681 /nfs/dbraw/zinc/91/56/81/1038915681.db2.gz UYUSEIAYYGPZEB-OEXSPLCWSA-N 3 1 343.559 3.892 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898388887 1038938761 /nfs/dbraw/zinc/93/87/61/1038938761.db2.gz WKHINWXRDQNWPE-IITNATTFSA-N 2 1 348.490 3.602 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898388887 1038938786 /nfs/dbraw/zinc/93/87/86/1038938786.db2.gz WKHINWXRDQNWPE-IITNATTFSA-N 2 1 348.490 3.602 20 0 EHADMP C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1n1ccnc1 ZINC000432732968 1038952803 /nfs/dbraw/zinc/95/28/03/1038952803.db2.gz YLVVHHWBTBQSGX-WFASDCNBSA-N 2 1 330.432 3.715 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1n1ccnc1 ZINC000432732968 1038952812 /nfs/dbraw/zinc/95/28/12/1038952812.db2.gz YLVVHHWBTBQSGX-WFASDCNBSA-N 2 1 330.432 3.715 20 0 EHADMP CCCOc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1OC ZINC000061558298 1039039254 /nfs/dbraw/zinc/03/92/54/1039039254.db2.gz LIQKTAGLHGQSPM-UHFFFAOYSA-N 2 1 334.504 3.696 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480050539 1039089019 /nfs/dbraw/zinc/08/90/19/1039089019.db2.gz WGXRPKLURFEYQC-PKOBYXMFSA-N 2 1 334.479 3.934 20 0 EHADMP CC(C)C[C@@H](C)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512425982 1039094822 /nfs/dbraw/zinc/09/48/22/1039094822.db2.gz DLUSBPHMQHZTDF-IFMALSPDSA-N 2 1 343.559 3.561 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552283900 1039136732 /nfs/dbraw/zinc/13/67/32/1039136732.db2.gz MCYNKCAPQAEIFL-MBDNFAEBSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000480093326 1039145733 /nfs/dbraw/zinc/14/57/33/1039145733.db2.gz NRBUYUDZCAOQLS-KDOFPFPSSA-N 2 1 333.838 3.709 20 0 EHADMP CCc1[nH+]c2ccccc2c(N2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000554284802 1039162593 /nfs/dbraw/zinc/16/25/93/1039162593.db2.gz WVYJTVPJKJYWPY-UHFFFAOYSA-N 2 1 346.478 3.823 20 0 EHADMP COCc1csc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667620931 1039174804 /nfs/dbraw/zinc/17/48/04/1039174804.db2.gz VBGLFFFYKRSCLW-GOSISDBHSA-N 2 1 344.524 3.848 20 0 EHADMP COCc1csc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000667620931 1039174847 /nfs/dbraw/zinc/17/48/47/1039174847.db2.gz VBGLFFFYKRSCLW-GOSISDBHSA-N 2 1 344.524 3.848 20 0 EHADMP COCc1csc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667620931 1039174863 /nfs/dbraw/zinc/17/48/63/1039174863.db2.gz VBGLFFFYKRSCLW-GOSISDBHSA-N 2 1 344.524 3.848 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COC5(CCC5)C4)C[C@@H]3C2)cc1 ZINC000898517855 1039186076 /nfs/dbraw/zinc/18/60/76/1039186076.db2.gz UVKABILRNFDJIS-JSXRDJHFSA-N 2 1 340.511 3.588 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C[C@@H]4CCC=CO4)CC[C@@H]3C2)cc1 ZINC000898518697 1039188369 /nfs/dbraw/zinc/18/83/69/1039188369.db2.gz JMSROPIHXFTHHA-ANULTFPQSA-N 2 1 326.484 3.569 20 0 EHADMP Cc1ncc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898522002 1039197788 /nfs/dbraw/zinc/19/77/88/1039197788.db2.gz HTUZKJMZSVNOJV-QYZOEREBSA-N 2 1 341.524 3.842 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000552318914 1039200875 /nfs/dbraw/zinc/20/08/75/1039200875.db2.gz ARASJHOKZACSST-MDASCCDHSA-N 2 1 336.907 3.880 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000660119179 1039225197 /nfs/dbraw/zinc/22/51/97/1039225197.db2.gz YSXIYSNJZQVDLU-FYKMYLNBSA-N 2 1 342.527 3.754 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310146824 1039414842 /nfs/dbraw/zinc/41/48/42/1039414842.db2.gz LPQSHERNWSZKPK-LJQANCHMSA-N 2 1 327.472 3.683 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310146824 1039414848 /nfs/dbraw/zinc/41/48/48/1039414848.db2.gz LPQSHERNWSZKPK-LJQANCHMSA-N 2 1 327.472 3.683 20 0 EHADMP COC1(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000480311811 1039418243 /nfs/dbraw/zinc/41/82/43/1039418243.db2.gz XALRXXRFFBLVAH-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000552779009 1039522007 /nfs/dbraw/zinc/52/20/07/1039522007.db2.gz BXESHVHGLOVKHX-MAUKXSAKSA-N 2 1 347.503 3.527 20 0 EHADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417308711 1039660903 /nfs/dbraw/zinc/66/09/03/1039660903.db2.gz IDBFBFRYTHOTPD-OKZBNKHCSA-N 2 1 348.556 3.865 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000480565608 1039704723 /nfs/dbraw/zinc/70/47/23/1039704723.db2.gz WDXWCYOIWVSPNE-NJDAHSKKSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000480565608 1039704737 /nfs/dbraw/zinc/70/47/37/1039704737.db2.gz WDXWCYOIWVSPNE-NJDAHSKKSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000480565608 1039704751 /nfs/dbraw/zinc/70/47/51/1039704751.db2.gz WDXWCYOIWVSPNE-NJDAHSKKSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000480615550 1039759794 /nfs/dbraw/zinc/75/97/94/1039759794.db2.gz POVGBBMPZRCUCT-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCCC[C@@H]1C ZINC000480615550 1039759800 /nfs/dbraw/zinc/75/98/00/1039759800.db2.gz POVGBBMPZRCUCT-OTWHNJEPSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480642199 1039798421 /nfs/dbraw/zinc/79/84/21/1039798421.db2.gz QVOLCZMHIFHCIV-IXDOHACOSA-N 2 1 332.488 3.824 20 0 EHADMP CCn1cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c(-c2ccccc2)n1 ZINC000894057924 1040024153 /nfs/dbraw/zinc/02/41/53/1040024153.db2.gz PCVWDQJGJADPIP-SFHVURJKSA-N 2 1 340.515 3.734 20 0 EHADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c(-c2ccccc2)n1 ZINC000894057924 1040024170 /nfs/dbraw/zinc/02/41/70/1040024170.db2.gz PCVWDQJGJADPIP-SFHVURJKSA-N 2 1 340.515 3.734 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@@H+]1C ZINC000489518722 1040041384 /nfs/dbraw/zinc/04/13/84/1040041384.db2.gz SLBMNWMXKREAMJ-BPAFIMBUSA-N 2 1 328.500 3.851 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@H+]1C ZINC000489518722 1040041398 /nfs/dbraw/zinc/04/13/98/1040041398.db2.gz SLBMNWMXKREAMJ-BPAFIMBUSA-N 2 1 328.500 3.851 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489611563 1040104731 /nfs/dbraw/zinc/10/47/31/1040104731.db2.gz PUILKFUQNSADGX-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(C(C)(C)C)cc1 ZINC000555092580 1040135251 /nfs/dbraw/zinc/13/52/51/1040135251.db2.gz JPJNPNCSSWEMPC-NJYVYQBISA-N 2 1 344.543 3.710 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCCC1 ZINC000480904726 1040137708 /nfs/dbraw/zinc/13/77/08/1040137708.db2.gz CBOIFTOGBOEXFH-MOPGFXCFSA-N 2 1 340.515 3.704 20 0 EHADMP CC1CC[NH+](CCN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000489998062 1040278372 /nfs/dbraw/zinc/27/83/72/1040278372.db2.gz IOOGGECRUUUYBI-FQEVSTJZSA-N 2 1 335.580 3.695 20 0 EHADMP CC1CCN(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000489998062 1040278384 /nfs/dbraw/zinc/27/83/84/1040278384.db2.gz IOOGGECRUUUYBI-FQEVSTJZSA-N 2 1 335.580 3.695 20 0 EHADMP CC1CCN(CC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000489998062 1040278401 /nfs/dbraw/zinc/27/84/01/1040278401.db2.gz IOOGGECRUUUYBI-FQEVSTJZSA-N 2 1 335.580 3.695 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000481027576 1040288868 /nfs/dbraw/zinc/28/88/68/1040288868.db2.gz WCOCGHZZJFSKFM-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039492 1040305942 /nfs/dbraw/zinc/30/59/42/1040305942.db2.gz RMSPVBPBSFOILH-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039492 1040305958 /nfs/dbraw/zinc/30/59/58/1040305958.db2.gz RMSPVBPBSFOILH-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479517427 1040337047 /nfs/dbraw/zinc/33/70/47/1040337047.db2.gz OQNGZZCTNVLVFB-IBGZPJMESA-N 2 1 336.907 3.806 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152153856 1040442956 /nfs/dbraw/zinc/44/29/56/1040442956.db2.gz CRTNVNPZBZVXRO-QFBILLFUSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152153856 1040442967 /nfs/dbraw/zinc/44/29/67/1040442967.db2.gz CRTNVNPZBZVXRO-QFBILLFUSA-N 2 1 339.483 3.921 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000481309009 1040654082 /nfs/dbraw/zinc/65/40/82/1040654082.db2.gz RAANLKOENWHDJA-BZNIZROVSA-N 2 1 341.268 3.507 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000481326722 1040690477 /nfs/dbraw/zinc/69/04/77/1040690477.db2.gz ZDGLWDQBYJGYFO-HUUCEWRRSA-N 2 1 326.431 3.979 20 0 EHADMP COCCC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925664400 1040823660 /nfs/dbraw/zinc/82/36/60/1040823660.db2.gz DIFRLPMRGIMBGY-AEFFLSMTSA-N 2 1 336.907 3.724 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491059846 1040898745 /nfs/dbraw/zinc/89/87/45/1040898745.db2.gz JQBHLQGBXMJQSD-LJQANCHMSA-N 2 1 344.499 3.561 20 0 EHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491059846 1040898753 /nfs/dbraw/zinc/89/87/53/1040898753.db2.gz JQBHLQGBXMJQSD-LJQANCHMSA-N 2 1 344.499 3.561 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924874929 1040921667 /nfs/dbraw/zinc/92/16/67/1040921667.db2.gz XCFINGBSBQFYPN-UHFFFAOYSA-N 2 1 331.304 3.835 20 0 EHADMP COc1ccnc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000924875740 1041003338 /nfs/dbraw/zinc/00/33/38/1041003338.db2.gz XJBJYJRPMXUTHI-JKSUJKDBSA-N 2 1 345.512 3.715 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nn(C)c2ccccc12 ZINC000398147866 1041093350 /nfs/dbraw/zinc/09/33/50/1041093350.db2.gz ONSBHULYXWJWEB-PXNSSMCTSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@H]1[C@@H](Nc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC[N@H+]1C ZINC000899874389 1041259114 /nfs/dbraw/zinc/25/91/14/1041259114.db2.gz BAUVDGQSVAFYBU-GWCFXTLKSA-N 2 1 325.334 3.638 20 0 EHADMP CO[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000660433997 1041323797 /nfs/dbraw/zinc/32/37/97/1041323797.db2.gz DERMFWFGFKGVGA-FQEVSTJZSA-N 2 1 345.531 3.994 20 0 EHADMP CC[N@H+]1CC[C@H](NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)[C@@H](C)C1 ZINC000468805045 1041599485 /nfs/dbraw/zinc/59/94/85/1041599485.db2.gz CRKAVETZKSLLET-ZVDOUQERSA-N 2 1 343.559 3.970 20 0 EHADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000651699967 1041941353 /nfs/dbraw/zinc/94/13/53/1041941353.db2.gz NUKRMUWCOUVDQI-UXHICEINSA-N 2 1 332.532 3.592 20 0 EHADMP C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786345 1042032605 /nfs/dbraw/zinc/03/26/05/1042032605.db2.gz SZGMTJWFCQMKPN-CJNGLKHVSA-N 2 1 340.870 3.557 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661645424 1042234542 /nfs/dbraw/zinc/23/45/42/1042234542.db2.gz XVSXNOMSYUKXQD-HNNXBMFYSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661645424 1042234547 /nfs/dbraw/zinc/23/45/47/1042234547.db2.gz XVSXNOMSYUKXQD-HNNXBMFYSA-N 2 1 342.270 3.554 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000652222872 1042279592 /nfs/dbraw/zinc/27/95/92/1042279592.db2.gz ZLAILWXHHFDLEK-QGZVFWFLSA-N 2 1 348.535 3.845 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H](C)O1 ZINC000245866550 1042501142 /nfs/dbraw/zinc/50/11/42/1042501142.db2.gz IPSPNUSLIRXPPY-XEMDLRDOSA-N 2 1 342.483 3.957 20 0 EHADMP Clc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000161624114 1042674187 /nfs/dbraw/zinc/67/41/87/1042674187.db2.gz FOYROGGEXDHHTG-VQTJNVASSA-N 2 1 347.934 3.521 20 0 EHADMP FC(F)(F)c1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343948 1042726463 /nfs/dbraw/zinc/72/64/63/1042726463.db2.gz KNWNCUGHGSLVMY-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343948 1042726467 /nfs/dbraw/zinc/72/64/67/1042726467.db2.gz KNWNCUGHGSLVMY-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343948 1042726472 /nfs/dbraw/zinc/72/64/72/1042726472.db2.gz KNWNCUGHGSLVMY-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP Brc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347773 1042736936 /nfs/dbraw/zinc/73/69/36/1042736936.db2.gz UZIXWUKCQSXRQJ-INIZCTEOSA-N 2 1 337.305 3.661 20 0 EHADMP CCCc1noc([C@H]2CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167836586 1043042407 /nfs/dbraw/zinc/04/24/07/1043042407.db2.gz FJKAOKHXGMMHHT-IRXDYDNUSA-N 2 1 336.524 3.712 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[N@H+]1C1CC1 ZINC000390901557 1043046773 /nfs/dbraw/zinc/04/67/73/1043046773.db2.gz HZYRROVNBRBFPE-QFUCXCTJSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901557 1043046779 /nfs/dbraw/zinc/04/67/79/1043046779.db2.gz HZYRROVNBRBFPE-QFUCXCTJSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901557 1043046787 /nfs/dbraw/zinc/04/67/87/1043046787.db2.gz HZYRROVNBRBFPE-QFUCXCTJSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408889 1043106474 /nfs/dbraw/zinc/10/64/74/1043106474.db2.gz WIUODYYPZYWZIM-RBUKOAKNSA-N 2 1 348.531 3.873 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccsc2S1 ZINC000432414495 1043131105 /nfs/dbraw/zinc/13/11/05/1043131105.db2.gz LFYXMBZCSXRCRE-DZKIICNBSA-N 2 1 340.558 3.764 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccsc2S1 ZINC000432414495 1043131109 /nfs/dbraw/zinc/13/11/09/1043131109.db2.gz LFYXMBZCSXRCRE-DZKIICNBSA-N 2 1 340.558 3.764 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419056 1043145087 /nfs/dbraw/zinc/14/50/87/1043145087.db2.gz YOMZVRKHBMWMAV-QUCCMNQESA-N 2 1 330.516 3.771 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3N(C)C)C2)CC1 ZINC000512169791 1043572289 /nfs/dbraw/zinc/57/22/89/1043572289.db2.gz PZIVNKJYPVXFCT-IBGZPJMESA-N 2 1 329.532 3.697 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3N(C)C)C2)CC1 ZINC000512169791 1043572299 /nfs/dbraw/zinc/57/22/99/1043572299.db2.gz PZIVNKJYPVXFCT-IBGZPJMESA-N 2 1 329.532 3.697 20 0 EHADMP CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163318053 1043936311 /nfs/dbraw/zinc/93/63/11/1043936311.db2.gz WICGAFVJNYLSSD-XJKSGUPXSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccccc1Br ZINC000163318053 1043936321 /nfs/dbraw/zinc/93/63/21/1043936321.db2.gz WICGAFVJNYLSSD-XJKSGUPXSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163318053 1043936330 /nfs/dbraw/zinc/93/63/30/1043936330.db2.gz WICGAFVJNYLSSD-XJKSGUPXSA-N 2 1 325.294 3.832 20 0 EHADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000344454194 1044020358 /nfs/dbraw/zinc/02/03/58/1044020358.db2.gz HBOQMBHQSVILNY-BDUNBXCCSA-N 2 1 327.472 3.757 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N2CCC(CCC[NH+](C)C)CC2)[nH+]1 ZINC000663759601 1044113606 /nfs/dbraw/zinc/11/36/06/1044113606.db2.gz WCTKVZCARALOIX-UHFFFAOYSA-N 2 1 329.410 3.967 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNCc1ccccc1OC(F)(F)F ZINC000320236961 1044439256 /nfs/dbraw/zinc/43/92/56/1044439256.db2.gz XZXXTOYIAROQLS-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000320236961 1044439264 /nfs/dbraw/zinc/43/92/64/1044439264.db2.gz XZXXTOYIAROQLS-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000320236961 1044439278 /nfs/dbraw/zinc/43/92/78/1044439278.db2.gz XZXXTOYIAROQLS-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000307968371 1125676757 /nfs/dbraw/zinc/67/67/57/1125676757.db2.gz VTPDVWRAMVKBRA-OXQOHEQNSA-N 2 1 340.515 3.520 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000671295905 1126872735 /nfs/dbraw/zinc/87/27/35/1126872735.db2.gz HMOZRCCGWDUFCO-MNEFBYGVSA-N 2 1 327.472 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000671301846 1126888436 /nfs/dbraw/zinc/88/84/36/1126888436.db2.gz QKUFZULGKSMFOJ-UTKZUKDTSA-N 2 1 348.494 3.748 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000671301846 1126888438 /nfs/dbraw/zinc/88/84/38/1126888438.db2.gz QKUFZULGKSMFOJ-UTKZUKDTSA-N 2 1 348.494 3.748 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)CC1(C)C ZINC000623342812 1126923071 /nfs/dbraw/zinc/92/30/71/1126923071.db2.gz POMJODAJXYGITH-MRXNPFEDSA-N 2 1 329.513 3.815 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1(C)C ZINC000623470625 1126962699 /nfs/dbraw/zinc/96/26/99/1126962699.db2.gz TXSJZHWFUVPOCC-INIZCTEOSA-N 2 1 344.421 3.728 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC3 ZINC000623487432 1126965362 /nfs/dbraw/zinc/96/53/62/1126965362.db2.gz BCAVDBVWLACJEF-JKSUJKDBSA-N 2 1 325.500 3.796 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1Br ZINC000623546908 1126978603 /nfs/dbraw/zinc/97/86/03/1126978603.db2.gz ZMTWSLILMWKLDW-AWEZNQCLSA-N 2 1 325.294 3.720 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1Br ZINC000623546908 1126978607 /nfs/dbraw/zinc/97/86/07/1126978607.db2.gz ZMTWSLILMWKLDW-AWEZNQCLSA-N 2 1 325.294 3.720 20 0 EHADMP CCCCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623654575 1127005159 /nfs/dbraw/zinc/00/51/59/1127005159.db2.gz CSFOJONDLBFWDE-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP CCOc1cccc(CNC[C@@H]2CCCC[N@@H+](C)C2)c1OC(F)F ZINC000623655332 1127006011 /nfs/dbraw/zinc/00/60/11/1127006011.db2.gz UZNOBAGCBTVBDC-AWEZNQCLSA-N 2 1 342.430 3.508 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1OC(F)F ZINC000623655332 1127006014 /nfs/dbraw/zinc/00/60/14/1127006014.db2.gz UZNOBAGCBTVBDC-AWEZNQCLSA-N 2 1 342.430 3.508 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1OC(F)F ZINC000623655332 1127006017 /nfs/dbraw/zinc/00/60/17/1127006017.db2.gz UZNOBAGCBTVBDC-AWEZNQCLSA-N 2 1 342.430 3.508 20 0 EHADMP c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000623853695 1127202458 /nfs/dbraw/zinc/20/24/58/1127202458.db2.gz DTPZLFJFJRMHMY-QGZVFWFLSA-N 2 1 327.497 3.906 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000623963375 1127223284 /nfs/dbraw/zinc/22/32/84/1127223284.db2.gz GEVRPCCOHISTKG-ZWKOTPCHSA-N 2 1 333.476 3.795 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000624018887 1127233948 /nfs/dbraw/zinc/23/39/48/1127233948.db2.gz ACSIWCNAABXKSA-OAHLLOKOSA-N 2 1 331.460 3.557 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000624019482 1127234853 /nfs/dbraw/zinc/23/48/53/1127234853.db2.gz ROXDFIGKIINSDS-FUHWJXTLSA-N 2 1 334.504 3.692 20 0 EHADMP Cc1c([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120564 1127255976 /nfs/dbraw/zinc/25/59/76/1127255976.db2.gz BRLAEMVWGUUUDP-RDJZCZTQSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120564 1127255979 /nfs/dbraw/zinc/25/59/79/1127255979.db2.gz BRLAEMVWGUUUDP-RDJZCZTQSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120564 1127255982 /nfs/dbraw/zinc/25/59/82/1127255982.db2.gz BRLAEMVWGUUUDP-RDJZCZTQSA-N 2 1 344.478 3.702 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121290 1127256459 /nfs/dbraw/zinc/25/64/59/1127256459.db2.gz SIUGMNPPAMOSMB-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121290 1127256461 /nfs/dbraw/zinc/25/64/61/1127256461.db2.gz SIUGMNPPAMOSMB-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123538 1127256652 /nfs/dbraw/zinc/25/66/52/1127256652.db2.gz NTPZFLAYBCJYQJ-HUUCEWRRSA-N 2 1 328.422 3.958 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624124219 1127257467 /nfs/dbraw/zinc/25/74/67/1127257467.db2.gz ZYUGVVNMAAHMAR-ZBFHGGJFSA-N 2 1 339.321 3.702 20 0 EHADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360874909 1127344528 /nfs/dbraw/zinc/34/45/28/1127344528.db2.gz UXORSNKOQBXTBN-JAGQDSLRSA-N 2 1 328.500 3.729 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000183237897 1127368847 /nfs/dbraw/zinc/36/88/47/1127368847.db2.gz JTNQBNMYEOLHPF-IBGZPJMESA-N 2 1 326.488 3.503 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000368062183 1127412955 /nfs/dbraw/zinc/41/29/55/1127412955.db2.gz RCQCBLOPFVIOCJ-WJMWBRGCSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000193982915 1127449168 /nfs/dbraw/zinc/44/91/68/1127449168.db2.gz NHMPXYPKGFPXRW-GDBMZVCRSA-N 2 1 328.422 3.958 20 0 EHADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299836 1127481895 /nfs/dbraw/zinc/48/18/95/1127481895.db2.gz ZVNZNLJCPWEMBM-VQIMIIECSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299836 1127481897 /nfs/dbraw/zinc/48/18/97/1127481897.db2.gz ZVNZNLJCPWEMBM-VQIMIIECSA-N 2 1 342.458 3.835 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000325382663 1127503652 /nfs/dbraw/zinc/50/36/52/1127503652.db2.gz XFMWUSKDPAWAJM-QGZVFWFLSA-N 2 1 326.488 3.787 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000765324907 1127597951 /nfs/dbraw/zinc/59/79/51/1127597951.db2.gz KNKMFYXUVNSHBT-UHFFFAOYSA-N 2 1 340.515 3.762 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4Cc5ccccc54)C[C@H]3C2)cc1 ZINC000386341544 1127665450 /nfs/dbraw/zinc/66/54/50/1127665450.db2.gz LSCYRADUGUXTOG-YPAWHYETSA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4Cc5ccccc54)C[C@H]3C2)cc1 ZINC000386341544 1127665452 /nfs/dbraw/zinc/66/54/52/1127665452.db2.gz LSCYRADUGUXTOG-YPAWHYETSA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4Cc5ccccc54)C[C@H]3C2)cc1 ZINC000386341544 1127665453 /nfs/dbraw/zinc/66/54/53/1127665453.db2.gz LSCYRADUGUXTOG-YPAWHYETSA-N 2 1 332.491 3.780 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921528464 1127669852 /nfs/dbraw/zinc/66/98/52/1127669852.db2.gz UWPUBYQYKKISRN-DUXKGJEZSA-N 2 1 330.516 3.822 20 0 EHADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000921619780 1127851528 /nfs/dbraw/zinc/85/15/28/1127851528.db2.gz PDXWQPMGZZHWQM-LJQANCHMSA-N 2 1 338.499 3.610 20 0 EHADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000921619780 1127851534 /nfs/dbraw/zinc/85/15/34/1127851534.db2.gz PDXWQPMGZZHWQM-LJQANCHMSA-N 2 1 338.499 3.610 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000765760079 1127907407 /nfs/dbraw/zinc/90/74/07/1127907407.db2.gz ZJKKPUUZFKKEDQ-JKSUJKDBSA-N 2 1 337.471 3.673 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000061070197 1128119138 /nfs/dbraw/zinc/11/91/38/1128119138.db2.gz KXZFYSBSZBLQPA-UHFFFAOYSA-N 2 1 329.532 3.637 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741445 1128177870 /nfs/dbraw/zinc/17/78/70/1128177870.db2.gz SAJHFOSXGFERSX-CABCVRRESA-N 2 1 331.460 3.839 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671746642 1128186440 /nfs/dbraw/zinc/18/64/40/1128186440.db2.gz ORJMVPNJGNFVTG-CQSZACIVSA-N 2 1 339.439 3.836 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000067120983 1128234574 /nfs/dbraw/zinc/23/45/74/1128234574.db2.gz AJZYZILONWDNJR-UHFFFAOYSA-N 2 1 329.778 3.626 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000067214562 1128236512 /nfs/dbraw/zinc/23/65/12/1128236512.db2.gz JFUYNPRNRYAIHH-UHFFFAOYSA-N 2 1 349.438 3.518 20 0 EHADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-c2ccccc2)c1 ZINC000765793223 1128370173 /nfs/dbraw/zinc/37/01/73/1128370173.db2.gz WMSCBPWMSGZTAI-WTOYTKOKSA-N 2 1 336.479 3.867 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655836305 1128492696 /nfs/dbraw/zinc/49/26/96/1128492696.db2.gz HSQFJGMLJMTLMO-AMZGXZFVSA-N 2 1 335.495 3.798 20 0 EHADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1 ZINC000428840022 1128705553 /nfs/dbraw/zinc/70/55/53/1128705553.db2.gz NFMHVHYRZHDWJG-HXUWFJFHSA-N 2 1 331.548 3.874 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815815 1128785439 /nfs/dbraw/zinc/78/54/39/1128785439.db2.gz JSVROZZROPRQOC-UTKZUKDTSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815815 1128785442 /nfs/dbraw/zinc/78/54/42/1128785442.db2.gz JSVROZZROPRQOC-UTKZUKDTSA-N 2 1 338.499 3.608 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC001648792941 1120035524 /nfs/dbraw/zinc/03/55/24/1120035524.db2.gz XNNXQIGMTPEPAS-UNMCSNQZSA-N 2 1 344.543 3.899 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000109443400 1120112762 /nfs/dbraw/zinc/11/27/62/1120112762.db2.gz JHTOTLXOLZQKEX-HXUWFJFHSA-N 2 1 343.515 3.876 20 0 EHADMP Cc1sc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000227817240 1120183621 /nfs/dbraw/zinc/18/36/21/1120183621.db2.gz NHDAIGLIWZNNAF-LBPRGKRZSA-N 2 1 331.323 3.639 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2cccc3c2OCC3)c(C)c1 ZINC000921920277 1128918075 /nfs/dbraw/zinc/91/80/75/1128918075.db2.gz KFBHSTYJJJWPSW-NRFANRHFSA-N 2 1 347.462 3.966 20 0 EHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnn1-c1ccccc1 ZINC000467358336 1120551900 /nfs/dbraw/zinc/55/19/00/1120551900.db2.gz JHXLISINBJABHC-KRWDZBQOSA-N 2 1 326.488 3.645 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCCS4)[C@@H]3C2)cc1 ZINC000542484393 1120572526 /nfs/dbraw/zinc/57/25/26/1120572526.db2.gz YPFSXSRWMNUEEG-NMLBUPMWSA-N 2 1 330.541 3.772 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCCS4)[C@@H]3C2)cc1 ZINC000542484391 1120572552 /nfs/dbraw/zinc/57/25/52/1120572552.db2.gz YPFSXSRWMNUEEG-HAGHYFMRSA-N 2 1 330.541 3.772 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)cc2)[C@H](C)C1 ZINC000189996970 1120620451 /nfs/dbraw/zinc/62/04/51/1120620451.db2.gz XMODMEJAUDARKK-TZIWHRDSSA-N 2 1 332.532 3.654 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116322 1120664850 /nfs/dbraw/zinc/66/48/50/1120664850.db2.gz MHAPPKNREAZMQB-RCBQFDQVSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116322 1120664851 /nfs/dbraw/zinc/66/48/51/1120664851.db2.gz MHAPPKNREAZMQB-RCBQFDQVSA-N 2 1 325.294 3.973 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000193977521 1120813689 /nfs/dbraw/zinc/81/36/89/1120813689.db2.gz ARSCURBIIHEWPM-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168474610 1120921548 /nfs/dbraw/zinc/92/15/48/1120921548.db2.gz SMNVWNYSDXFLGO-ATZDWAIDSA-N 2 1 334.479 3.508 20 0 EHADMP COCC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000433130282 1120929923 /nfs/dbraw/zinc/92/99/23/1120929923.db2.gz RFSUSOSOABKKMX-UHFFFAOYSA-N 2 1 342.527 3.791 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@H+]3CC(C)C)CC2)n1 ZINC000495092051 1120949710 /nfs/dbraw/zinc/94/97/10/1120949710.db2.gz LIKSXJLUIPPJEI-DAWZGUTISA-N 2 1 334.508 3.504 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+]3CC(C)C)CC2)n1 ZINC000495092051 1120949714 /nfs/dbraw/zinc/94/97/14/1120949714.db2.gz LIKSXJLUIPPJEI-DAWZGUTISA-N 2 1 334.508 3.504 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCS2 ZINC000250051275 1120952551 /nfs/dbraw/zinc/95/25/51/1120952551.db2.gz LWYDUEQLYJOHQK-PKOBYXMFSA-N 2 1 348.556 3.667 20 0 EHADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000495427883 1121193292 /nfs/dbraw/zinc/19/32/92/1121193292.db2.gz UHGNYVJMTNTRBV-YYWHXJBOSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)cc1Br ZINC001235717459 1121667315 /nfs/dbraw/zinc/66/73/15/1121667315.db2.gz FZLZFWUSUYFHGO-UHFFFAOYSA-N 2 1 339.321 3.887 20 0 EHADMP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763210001 1121882423 /nfs/dbraw/zinc/88/24/23/1121882423.db2.gz JBSGBFYVUDENQI-UYAOXDASSA-N 2 1 349.563 3.569 20 0 EHADMP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763210001 1121882430 /nfs/dbraw/zinc/88/24/30/1121882430.db2.gz JBSGBFYVUDENQI-UYAOXDASSA-N 2 1 349.563 3.569 20 0 EHADMP CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000672623374 1129028240 /nfs/dbraw/zinc/02/82/40/1129028240.db2.gz SLDVHHHKULVNSS-FKBYEOEOSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623374 1129028241 /nfs/dbraw/zinc/02/82/41/1129028241.db2.gz SLDVHHHKULVNSS-FKBYEOEOSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623374 1129028244 /nfs/dbraw/zinc/02/82/44/1129028244.db2.gz SLDVHHHKULVNSS-FKBYEOEOSA-N 2 1 343.559 3.704 20 0 EHADMP Clc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1Br ZINC000124266705 1122279793 /nfs/dbraw/zinc/27/97/93/1122279793.db2.gz APZZHAUZQGJKQY-UHFFFAOYSA-N 2 1 331.685 3.678 20 0 EHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000124518673 1122287430 /nfs/dbraw/zinc/28/74/30/1122287430.db2.gz KTDORXMUKMWEQO-OAHLLOKOSA-N 2 1 343.968 3.716 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125183287 1122307964 /nfs/dbraw/zinc/30/79/64/1122307964.db2.gz DADBBDSIEWBAKB-XLIONFOSSA-N 2 1 348.494 3.514 20 0 EHADMP CC[N@@H+](CC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1)C1CC1 ZINC000126143540 1122387212 /nfs/dbraw/zinc/38/72/12/1122387212.db2.gz QJEVCMGEMXNJIB-UHFFFAOYSA-N 2 1 343.515 3.874 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063961 1122799478 /nfs/dbraw/zinc/79/94/78/1122799478.db2.gz SGDMIEJKPYPRKZ-JZWVFAODSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063961 1122799483 /nfs/dbraw/zinc/79/94/83/1122799483.db2.gz SGDMIEJKPYPRKZ-JZWVFAODSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063958 1122799696 /nfs/dbraw/zinc/79/96/96/1122799696.db2.gz SGDMIEJKPYPRKZ-JMUQELJHSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063958 1122799697 /nfs/dbraw/zinc/79/96/97/1122799697.db2.gz SGDMIEJKPYPRKZ-JMUQELJHSA-N 2 1 349.522 3.863 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556092979 1122808719 /nfs/dbraw/zinc/80/87/19/1122808719.db2.gz CIVTWMBKSOFQES-NHCUHLMSSA-N 3 1 329.532 3.534 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556092979 1122808723 /nfs/dbraw/zinc/80/87/23/1122808723.db2.gz CIVTWMBKSOFQES-NHCUHLMSSA-N 3 1 329.532 3.534 20 0 EHADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC000556104170 1122815408 /nfs/dbraw/zinc/81/54/08/1122815408.db2.gz MSHXUKADVGVEMG-UXHICEINSA-N 2 1 329.532 3.674 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556119215 1122827576 /nfs/dbraw/zinc/82/75/76/1122827576.db2.gz RWDIHLRQJKINHC-OXQOHEQNSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556119215 1122827581 /nfs/dbraw/zinc/82/75/81/1122827581.db2.gz RWDIHLRQJKINHC-OXQOHEQNSA-N 2 1 346.421 3.769 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000255368963 1129082694 /nfs/dbraw/zinc/08/26/94/1129082694.db2.gz QFNAYPVGAPUETC-KJQSLDHJSA-N 2 1 328.500 3.521 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556177639 1122860742 /nfs/dbraw/zinc/86/07/42/1122860742.db2.gz FPAQQTPLLPPABS-PXNSSMCTSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556177639 1122860749 /nfs/dbraw/zinc/86/07/49/1122860749.db2.gz FPAQQTPLLPPABS-PXNSSMCTSA-N 2 1 330.422 3.932 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498882991 1123097642 /nfs/dbraw/zinc/09/76/42/1123097642.db2.gz ZSOMJOLMOLTZOT-IBGZPJMESA-N 2 1 346.515 3.518 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498882991 1123097645 /nfs/dbraw/zinc/09/76/45/1123097645.db2.gz ZSOMJOLMOLTZOT-IBGZPJMESA-N 2 1 346.515 3.518 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000556887371 1123168394 /nfs/dbraw/zinc/16/83/94/1123168394.db2.gz VYWMOZIFESLZMP-PMPSAXMXSA-N 2 1 342.405 3.590 20 0 EHADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000556922688 1123210197 /nfs/dbraw/zinc/21/01/97/1123210197.db2.gz FTPLRWWSOBJIDR-IXDOHACOSA-N 2 1 338.417 3.829 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245424141 1123822413 /nfs/dbraw/zinc/82/24/13/1123822413.db2.gz JXRJUNPWYFGYBM-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245424141 1123822417 /nfs/dbraw/zinc/82/24/17/1123822417.db2.gz JXRJUNPWYFGYBM-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245424141 1123822423 /nfs/dbraw/zinc/82/24/23/1123822423.db2.gz JXRJUNPWYFGYBM-YOEHRIQHSA-N 2 1 344.421 3.790 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(F)c2F)[C@H](C)C1 ZINC000245602157 1123892842 /nfs/dbraw/zinc/89/28/42/1123892842.db2.gz PHQPWZPSJRFLKF-RKVPGOIHSA-N 2 1 340.458 3.752 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000245787254 1123951569 /nfs/dbraw/zinc/95/15/69/1123951569.db2.gz VMKONXHPUFRSGS-HOCLYGCPSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000245787254 1123951572 /nfs/dbraw/zinc/95/15/72/1123951572.db2.gz VMKONXHPUFRSGS-HOCLYGCPSA-N 2 1 326.431 3.819 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000246155556 1124034002 /nfs/dbraw/zinc/03/40/02/1124034002.db2.gz TZTKBZOIGBQTAW-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C12CCC2 ZINC000453122389 1129164583 /nfs/dbraw/zinc/16/45/83/1129164583.db2.gz MTKRDHAFQJXCJW-FFZOFVMBSA-N 2 1 328.500 3.759 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246485194 1124483382 /nfs/dbraw/zinc/48/33/82/1124483382.db2.gz RNNXIYPBLUFQHK-ZIFCJYIRSA-N 2 1 346.515 3.749 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246485194 1124483385 /nfs/dbraw/zinc/48/33/85/1124483385.db2.gz RNNXIYPBLUFQHK-ZIFCJYIRSA-N 2 1 346.515 3.749 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893486 1124564541 /nfs/dbraw/zinc/56/45/41/1124564541.db2.gz DXAZWLZBBKCKBA-QUCCMNQESA-N 2 1 340.515 3.702 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893486 1124564548 /nfs/dbraw/zinc/56/45/48/1124564548.db2.gz DXAZWLZBBKCKBA-QUCCMNQESA-N 2 1 340.515 3.702 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000248008029 1124634774 /nfs/dbraw/zinc/63/47/74/1124634774.db2.gz KZPYSVKFAYJWIJ-ZFWWWQNUSA-N 2 1 345.314 3.881 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520552088 1124653880 /nfs/dbraw/zinc/65/38/80/1124653880.db2.gz SHMLQMZNHKQJNI-HMXCVIKNSA-N 2 1 329.532 3.532 20 0 EHADMP c1ccc(CSCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000248777352 1124699393 /nfs/dbraw/zinc/69/93/93/1124699393.db2.gz UNGJOFKYAYZJBX-AZUAARDMSA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000248777352 1124699402 /nfs/dbraw/zinc/69/94/02/1124699402.db2.gz UNGJOFKYAYZJBX-AZUAARDMSA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000248777352 1124699405 /nfs/dbraw/zinc/69/94/05/1124699405.db2.gz UNGJOFKYAYZJBX-AZUAARDMSA-N 2 1 330.541 3.869 20 0 EHADMP CN(CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000522017927 1124721028 /nfs/dbraw/zinc/72/10/28/1124721028.db2.gz MTXQTBNHWZIRJC-UNMCSNQZSA-N 2 1 337.511 3.938 20 0 EHADMP CN(CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000522017927 1124721029 /nfs/dbraw/zinc/72/10/29/1124721029.db2.gz MTXQTBNHWZIRJC-UNMCSNQZSA-N 2 1 337.511 3.938 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000089694283 1124838424 /nfs/dbraw/zinc/83/84/24/1124838424.db2.gz DGIJVVRWRXYXHN-HNNXBMFYSA-N 2 1 343.696 3.774 20 0 EHADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccn1 ZINC000572547501 1125183338 /nfs/dbraw/zinc/18/33/38/1125183338.db2.gz PFMUTXGCBISDBL-INIZCTEOSA-N 2 1 327.472 3.781 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nccs2)ccc1OC ZINC000182526725 1125325867 /nfs/dbraw/zinc/32/58/67/1125325867.db2.gz RBWYHPRPDVJXJC-CQSZACIVSA-N 2 1 333.501 3.844 20 0 EHADMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000765973135 1129223797 /nfs/dbraw/zinc/22/37/97/1129223797.db2.gz CXFCZNVVBIDMFA-UYAOXDASSA-N 2 1 330.516 3.906 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(C)c1F ZINC000765974979 1129346540 /nfs/dbraw/zinc/34/65/40/1129346540.db2.gz JUPMKEDVRRKBRF-VQIMIIECSA-N 2 1 334.479 3.737 20 0 EHADMP Cc1cccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000765976351 1129358971 /nfs/dbraw/zinc/35/89/71/1129358971.db2.gz NOXWWMGFZLVFRY-VXKWHMMOSA-N 2 1 342.527 3.549 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000178521428 1131389355 /nfs/dbraw/zinc/38/93/55/1131389355.db2.gz TXWBNXQVNTVGNV-QFIPXVFZSA-N 2 1 344.543 3.614 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999191 1129683443 /nfs/dbraw/zinc/68/34/43/1129683443.db2.gz DZDULGMITXKUMM-JOCHJYFZSA-N 2 1 346.478 3.529 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999191 1129683446 /nfs/dbraw/zinc/68/34/46/1129683446.db2.gz DZDULGMITXKUMM-JOCHJYFZSA-N 2 1 346.478 3.529 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999191 1129683448 /nfs/dbraw/zinc/68/34/48/1129683448.db2.gz DZDULGMITXKUMM-JOCHJYFZSA-N 2 1 346.478 3.529 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2CC)cc1 ZINC000347778096 1129743726 /nfs/dbraw/zinc/74/37/26/1129743726.db2.gz NKLBCYAEQJDTPW-HXUWFJFHSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000347778096 1129743729 /nfs/dbraw/zinc/74/37/29/1129743729.db2.gz NKLBCYAEQJDTPW-HXUWFJFHSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1 ZINC000347778096 1129743732 /nfs/dbraw/zinc/74/37/32/1129743732.db2.gz NKLBCYAEQJDTPW-HXUWFJFHSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000785471582 1130009826 /nfs/dbraw/zinc/00/98/26/1130009826.db2.gz VYASGOOLBCNXBX-INIZCTEOSA-N 2 1 327.447 3.844 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000658059261 1130100309 /nfs/dbraw/zinc/10/03/09/1130100309.db2.gz WQNPXZPXUFFZNY-PLACYPQZSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059261 1130100311 /nfs/dbraw/zinc/10/03/11/1130100311.db2.gz WQNPXZPXUFFZNY-PLACYPQZSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059261 1130100313 /nfs/dbraw/zinc/10/03/13/1130100313.db2.gz WQNPXZPXUFFZNY-PLACYPQZSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059261 1130100315 /nfs/dbraw/zinc/10/03/15/1130100315.db2.gz WQNPXZPXUFFZNY-PLACYPQZSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059261 1130100316 /nfs/dbraw/zinc/10/03/16/1130100316.db2.gz WQNPXZPXUFFZNY-PLACYPQZSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172351242 1130126213 /nfs/dbraw/zinc/12/62/13/1130126213.db2.gz BTUDGAVORZOMIG-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172351242 1130126217 /nfs/dbraw/zinc/12/62/17/1130126217.db2.gz BTUDGAVORZOMIG-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172351242 1130126218 /nfs/dbraw/zinc/12/62/18/1130126218.db2.gz BTUDGAVORZOMIG-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172351242 1130126222 /nfs/dbraw/zinc/12/62/22/1130126222.db2.gz BTUDGAVORZOMIG-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658143606 1130195848 /nfs/dbraw/zinc/19/58/48/1130195848.db2.gz ZODQVDXQZGIHLZ-FCHUYYIVSA-N 2 1 338.495 3.740 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@H](C)C1 ZINC000675743806 1130469181 /nfs/dbraw/zinc/46/91/81/1130469181.db2.gz VMGAQOJMPFYFSZ-VQIMIIECSA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@H](C)C1 ZINC000675743806 1130469186 /nfs/dbraw/zinc/46/91/86/1130469186.db2.gz VMGAQOJMPFYFSZ-VQIMIIECSA-N 2 1 325.456 3.694 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000348040405 1131135222 /nfs/dbraw/zinc/13/52/22/1131135222.db2.gz WKMAPAONFODVRA-KRWDZBQOSA-N 2 1 326.431 3.557 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832690 1131211663 /nfs/dbraw/zinc/21/16/63/1131211663.db2.gz ZRMYLZLHCJLTBO-MRXNPFEDSA-N 2 1 328.422 3.912 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832690 1131211668 /nfs/dbraw/zinc/21/16/68/1131211668.db2.gz ZRMYLZLHCJLTBO-MRXNPFEDSA-N 2 1 328.422 3.912 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832690 1131211672 /nfs/dbraw/zinc/21/16/72/1131211672.db2.gz ZRMYLZLHCJLTBO-MRXNPFEDSA-N 2 1 328.422 3.912 20 0 EHADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172433719 1131727301 /nfs/dbraw/zinc/72/73/01/1131727301.db2.gz ALTLECBNYCCUCJ-ZIBCJSCZSA-N 2 1 330.516 3.975 20 0 EHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](CC)CC(C)C)CC2)C1 ZINC001172394885 1131730526 /nfs/dbraw/zinc/73/05/26/1131730526.db2.gz AARBDECLIPPKHS-QZTJIDSGSA-N 2 1 338.536 3.551 20 0 EHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](CC)CC(C)C)CC2)C1 ZINC001172394885 1131730531 /nfs/dbraw/zinc/73/05/31/1131730531.db2.gz AARBDECLIPPKHS-QZTJIDSGSA-N 2 1 338.536 3.551 20 0 EHADMP CC(C)COCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172470091 1131733768 /nfs/dbraw/zinc/73/37/68/1131733768.db2.gz CDLKRJXMKVBKTB-MISYRCLQSA-N 2 1 333.520 3.605 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576706 1131770657 /nfs/dbraw/zinc/77/06/57/1131770657.db2.gz OVLZRMCSMRUHPH-NSHDSACASA-N 2 1 327.806 3.734 20 0 EHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172606299 1131788425 /nfs/dbraw/zinc/78/84/25/1131788425.db2.gz UAMNLPJRYXQINA-PSBWJHGTSA-N 2 1 336.520 3.623 20 0 EHADMP CC1(C)CC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC(C)(C)O1 ZINC001172654041 1131800904 /nfs/dbraw/zinc/80/09/04/1131800904.db2.gz UGNCFVUABTZBGO-UHFFFAOYSA-N 2 1 334.479 3.812 20 0 EHADMP CC1(C)CC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172658074 1131804285 /nfs/dbraw/zinc/80/42/85/1131804285.db2.gz JGPJLUCRLVBKFZ-KDURUIRLSA-N 2 1 342.527 3.786 20 0 EHADMP CC1(C)CC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172658074 1131804289 /nfs/dbraw/zinc/80/42/89/1131804289.db2.gz JGPJLUCRLVBKFZ-KDURUIRLSA-N 2 1 342.527 3.786 20 0 EHADMP CC1(C)CC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172658074 1131804293 /nfs/dbraw/zinc/80/42/93/1131804293.db2.gz JGPJLUCRLVBKFZ-KDURUIRLSA-N 2 1 342.527 3.786 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172751367 1131831502 /nfs/dbraw/zinc/83/15/02/1131831502.db2.gz WCORNQYNWSSTCN-NLWGTHIKSA-N 2 1 346.515 3.607 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172751367 1131831506 /nfs/dbraw/zinc/83/15/06/1131831506.db2.gz WCORNQYNWSSTCN-NLWGTHIKSA-N 2 1 346.515 3.607 20 0 EHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779494 1131844843 /nfs/dbraw/zinc/84/48/43/1131844843.db2.gz GGROYVXAANJKTP-DKKFBQAASA-N 2 1 336.520 3.623 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC001173035545 1131938275 /nfs/dbraw/zinc/93/82/75/1131938275.db2.gz GYBRRXWYSPMLKX-UHFFFAOYSA-N 2 1 342.527 3.980 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173088178 1131948165 /nfs/dbraw/zinc/94/81/65/1131948165.db2.gz YLTOGSCGKPIFOP-DMRZNYOFSA-N 2 1 342.405 3.731 20 0 EHADMP CCc1ccc(C[C@H](C)[N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173248330 1132017366 /nfs/dbraw/zinc/01/73/66/1132017366.db2.gz GBZXGCMSYDFOES-YYWHXJBOSA-N 2 1 344.543 3.931 20 0 EHADMP CN(c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1)c1ccccc1F ZINC001206201257 1132084450 /nfs/dbraw/zinc/08/44/50/1132084450.db2.gz WMPQDENDNWWHBT-HKUYNNGSSA-N 2 1 345.437 3.855 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173636334 1132111917 /nfs/dbraw/zinc/11/19/17/1132111917.db2.gz YOOYZABYNBQPJR-PBWTXFEYSA-N 2 1 338.536 3.869 20 0 EHADMP CCC1([NH+]2CCCC2)CC[NH+](CCCN(C)c2ccccc2)CC1 ZINC001175155928 1132569811 /nfs/dbraw/zinc/56/98/11/1132569811.db2.gz HUHCIMGJBUUFGK-UHFFFAOYSA-N 2 1 329.532 3.853 20 0 EHADMP C[N@@H+](CCOC1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001168825711 1132572221 /nfs/dbraw/zinc/57/22/21/1132572221.db2.gz KXGBECFYYKGGEQ-UHFFFAOYSA-N 2 1 345.531 3.969 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001175351443 1132645494 /nfs/dbraw/zinc/64/54/94/1132645494.db2.gz MCKHEWUXJWFEKJ-OAQYLSRUSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001175351441 1132646204 /nfs/dbraw/zinc/64/62/04/1132646204.db2.gz MCKHEWUXJWFEKJ-NRFANRHFSA-N 2 1 346.563 3.948 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](OCc3ccccc3)CC1)C2 ZINC001169118079 1132662280 /nfs/dbraw/zinc/66/22/80/1132662280.db2.gz DICNANPBLKNOOZ-CMMDMPAISA-N 2 1 328.500 3.729 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119516 1132664409 /nfs/dbraw/zinc/66/44/09/1132664409.db2.gz SXDRFQIBFFWXBG-YXOJAJARSA-N 2 1 345.506 3.523 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119516 1132664412 /nfs/dbraw/zinc/66/44/12/1132664412.db2.gz SXDRFQIBFFWXBG-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119516 1132664416 /nfs/dbraw/zinc/66/44/16/1132664416.db2.gz SXDRFQIBFFWXBG-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119516 1132664422 /nfs/dbraw/zinc/66/44/22/1132664422.db2.gz SXDRFQIBFFWXBG-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119516 1132664425 /nfs/dbraw/zinc/66/44/25/1132664425.db2.gz SXDRFQIBFFWXBG-YXOJAJARSA-N 3 1 345.506 3.523 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169156441 1132680753 /nfs/dbraw/zinc/68/07/53/1132680753.db2.gz YIULAWMKTUBSNE-HAGHYFMRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169156441 1132680758 /nfs/dbraw/zinc/68/07/58/1132680758.db2.gz YIULAWMKTUBSNE-HAGHYFMRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169156441 1132680762 /nfs/dbraw/zinc/68/07/62/1132680762.db2.gz YIULAWMKTUBSNE-HAGHYFMRSA-N 2 1 328.500 3.575 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)C2CC[NH+](CC)CC2)CC1 ZINC001169261532 1132704579 /nfs/dbraw/zinc/70/45/79/1132704579.db2.gz JOIUZIHMHCIGAZ-IYARVYRRSA-N 2 1 338.536 3.552 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C2CC[NH+](CC)CC2)CC1 ZINC001169261532 1132704584 /nfs/dbraw/zinc/70/45/84/1132704584.db2.gz JOIUZIHMHCIGAZ-IYARVYRRSA-N 2 1 338.536 3.552 20 0 EHADMP COc1cccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001177062069 1133026984 /nfs/dbraw/zinc/02/69/84/1133026984.db2.gz ZVDWBSIQGXYJFZ-UHFFFAOYSA-N 2 1 326.484 3.943 20 0 EHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC001177104489 1133030837 /nfs/dbraw/zinc/03/08/37/1133030837.db2.gz UHMHMNSMUYUXRQ-GUDVDZBRSA-N 2 1 349.588 3.841 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(OCCC)c1 ZINC001177794807 1133103281 /nfs/dbraw/zinc/10/32/81/1133103281.db2.gz HTKHRZBCYZVXDV-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(OCCC)c1 ZINC001177794807 1133103285 /nfs/dbraw/zinc/10/32/85/1133103285.db2.gz HTKHRZBCYZVXDV-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC001177843634 1133106812 /nfs/dbraw/zinc/10/68/12/1133106812.db2.gz CNUMTRBMIIMXIT-APWZRJJASA-N 2 1 338.923 3.875 20 0 EHADMP c1ccc2[nH]c(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)nc2c1 ZINC000768301803 1133122721 /nfs/dbraw/zinc/12/27/21/1133122721.db2.gz BMVOMOCJGXNDFF-UHFFFAOYSA-N 2 1 326.488 3.651 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC001179228484 1133236903 /nfs/dbraw/zinc/23/69/03/1133236903.db2.gz KCIBMOGHSSIDOS-CEXWTWQISA-N 2 1 330.491 3.858 20 0 EHADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001179259664 1133240268 /nfs/dbraw/zinc/24/02/68/1133240268.db2.gz WRCJNQBYACMAQT-INIZCTEOSA-N 2 1 342.405 3.797 20 0 EHADMP CC[NH+]1CCC(C[N@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001180068589 1133324518 /nfs/dbraw/zinc/32/45/18/1133324518.db2.gz QMLIVKNAYYOFQQ-UHFFFAOYSA-N 2 1 337.305 3.539 20 0 EHADMP Cn1cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001203260652 1133355101 /nfs/dbraw/zinc/35/51/01/1133355101.db2.gz ZPPXREJJFBQPIK-FFZOFVMBSA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001203260652 1133355107 /nfs/dbraw/zinc/35/51/07/1133355107.db2.gz ZPPXREJJFBQPIK-FFZOFVMBSA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001203260652 1133355111 /nfs/dbraw/zinc/35/51/11/1133355111.db2.gz ZPPXREJJFBQPIK-FFZOFVMBSA-N 2 1 343.540 3.819 20 0 EHADMP COC(=O)c1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c(C)o1 ZINC001181043164 1133443624 /nfs/dbraw/zinc/44/36/24/1133443624.db2.gz KFWMVOUFYYYCNF-UHFFFAOYSA-N 2 1 336.476 3.509 20 0 EHADMP C[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001181505425 1133495107 /nfs/dbraw/zinc/49/51/07/1133495107.db2.gz GRIARWNCUKFVIJ-SYYKKAFVSA-N 2 1 344.543 3.628 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774142711 1133614037 /nfs/dbraw/zinc/61/40/37/1133614037.db2.gz ZHGYEFKZVSHQDZ-YQQQUEKLSA-N 2 1 338.499 3.512 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774142711 1133614040 /nfs/dbraw/zinc/61/40/40/1133614040.db2.gz ZHGYEFKZVSHQDZ-YQQQUEKLSA-N 2 1 338.499 3.512 20 0 EHADMP C[C@@H]1CC[C@H](NCC[NH+]2CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC001182310331 1133626651 /nfs/dbraw/zinc/62/66/51/1133626651.db2.gz XNZXMNSCAGXRQL-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[C@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001182310331 1133626652 /nfs/dbraw/zinc/62/66/52/1133626652.db2.gz XNZXMNSCAGXRQL-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310331 1133626657 /nfs/dbraw/zinc/62/66/57/1133626657.db2.gz XNZXMNSCAGXRQL-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[C@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310331 1133626659 /nfs/dbraw/zinc/62/66/59/1133626659.db2.gz XNZXMNSCAGXRQL-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205265712 1133794962 /nfs/dbraw/zinc/79/49/62/1133794962.db2.gz QUSIMLLVRHLCHH-INIZCTEOSA-N 2 1 336.277 3.634 20 0 EHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205265712 1133794966 /nfs/dbraw/zinc/79/49/66/1133794966.db2.gz QUSIMLLVRHLCHH-INIZCTEOSA-N 2 1 336.277 3.634 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001184300873 1133918583 /nfs/dbraw/zinc/91/85/83/1133918583.db2.gz DMAVUBGRKCLWPP-XOQUEBTOSA-N 2 1 342.527 3.898 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC001205314855 1133993265 /nfs/dbraw/zinc/99/32/65/1133993265.db2.gz CTEOYGWTMRVUHZ-ZYHUDNBSSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC001205314855 1133993270 /nfs/dbraw/zinc/99/32/70/1133993270.db2.gz CTEOYGWTMRVUHZ-ZYHUDNBSSA-N 2 1 336.785 3.655 20 0 EHADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000788801070 1134171288 /nfs/dbraw/zinc/17/12/88/1134171288.db2.gz YCVXCMQRJSULED-AEFFLSMTSA-N 2 1 341.886 3.834 20 0 EHADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000788801070 1134171294 /nfs/dbraw/zinc/17/12/94/1134171294.db2.gz YCVXCMQRJSULED-AEFFLSMTSA-N 2 1 341.886 3.834 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821777 1134177649 /nfs/dbraw/zinc/17/76/49/1134177649.db2.gz ZKLSYCSFFGEKQE-LPHOPBHVSA-N 2 1 339.483 3.739 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821777 1134177652 /nfs/dbraw/zinc/17/76/52/1134177652.db2.gz ZKLSYCSFFGEKQE-LPHOPBHVSA-N 2 1 339.483 3.739 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000788815433 1134183567 /nfs/dbraw/zinc/18/35/67/1134183567.db2.gz OEKBXSYVPRAXOS-UWJYYQICSA-N 2 1 339.483 3.653 20 0 EHADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206037024 1134302183 /nfs/dbraw/zinc/30/21/83/1134302183.db2.gz SKNFDIMONAIDSD-KGLIPLIRSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001170141660 1134447211 /nfs/dbraw/zinc/44/72/11/1134447211.db2.gz ZFBSTLGDZALHST-DLBZAZTESA-N 2 1 334.529 3.604 20 0 EHADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190037 1134703177 /nfs/dbraw/zinc/70/31/77/1134703177.db2.gz DNPNSRXGDTZNED-WTGUMLROSA-N 2 1 346.515 3.725 20 0 EHADMP c1[nH+]cn2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c12 ZINC001170337324 1134747698 /nfs/dbraw/zinc/74/76/98/1134747698.db2.gz QHGMZHOIKMZFPR-LDLYASANSA-N 2 1 332.451 3.942 20 0 EHADMP c1[nH+]cn2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c12 ZINC001170337324 1134747704 /nfs/dbraw/zinc/74/77/04/1134747704.db2.gz QHGMZHOIKMZFPR-LDLYASANSA-N 2 1 332.451 3.942 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cccc4c2C[NH2+]CC4)C3)cc1 ZINC001170333705 1134751748 /nfs/dbraw/zinc/75/17/48/1134751748.db2.gz TXNLAYULYCMRJM-MZADTFQBSA-N 2 1 347.506 3.940 20 0 EHADMP CCC[C@]1(C)CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254717 1134825281 /nfs/dbraw/zinc/82/52/81/1134825281.db2.gz BKQVSQISXHRHPV-NHCUHLMSSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@]1(C)CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254717 1134825288 /nfs/dbraw/zinc/82/52/88/1134825288.db2.gz BKQVSQISXHRHPV-NHCUHLMSSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@]1(C)CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001191254717 1134825294 /nfs/dbraw/zinc/82/52/94/1134825294.db2.gz BKQVSQISXHRHPV-NHCUHLMSSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@]1(C)CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001191254717 1134825301 /nfs/dbraw/zinc/82/53/01/1134825301.db2.gz BKQVSQISXHRHPV-NHCUHLMSSA-N 2 1 330.516 3.526 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600265 1134894949 /nfs/dbraw/zinc/89/49/49/1134894949.db2.gz DMHAEPOPJUQWII-PBHICJAKSA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600265 1134894954 /nfs/dbraw/zinc/89/49/54/1134894954.db2.gz DMHAEPOPJUQWII-PBHICJAKSA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600265 1134894960 /nfs/dbraw/zinc/89/49/60/1134894960.db2.gz DMHAEPOPJUQWII-PBHICJAKSA-N 2 1 339.321 3.654 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1Br ZINC001205592823 1135002029 /nfs/dbraw/zinc/00/20/29/1135002029.db2.gz ZGPIBTQTKFMOTG-HNNXBMFYSA-N 2 1 347.247 3.550 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1Br ZINC001205592823 1135002035 /nfs/dbraw/zinc/00/20/35/1135002035.db2.gz ZGPIBTQTKFMOTG-HNNXBMFYSA-N 2 1 347.247 3.550 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC001205618144 1135083669 /nfs/dbraw/zinc/08/36/69/1135083669.db2.gz SBKSJIMFVVMGHS-RYUDHWBXSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205639076 1135168976 /nfs/dbraw/zinc/16/89/76/1135168976.db2.gz VLXJVUCXPXQJGS-CHWSQXEVSA-N 2 1 343.284 3.703 20 0 EHADMP Cc1cc(F)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Br)c1 ZINC001205639079 1135169307 /nfs/dbraw/zinc/16/93/07/1135169307.db2.gz VLXJVUCXPXQJGS-STQMWFEESA-N 2 1 343.284 3.703 20 0 EHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H](CO)CC(C)(C)C ZINC001194383441 1135261818 /nfs/dbraw/zinc/26/18/18/1135261818.db2.gz CUYUJQGDLGHRBV-HXUWFJFHSA-N 2 1 332.532 3.901 20 0 EHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCCc1cccnc1)C2 ZINC001196962942 1135634841 /nfs/dbraw/zinc/63/48/41/1135634841.db2.gz VVAZWRNGNLFQBQ-ZRZAMGCNSA-N 2 1 349.522 3.858 20 0 EHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCCc1cccnc1)C2 ZINC001196962942 1135634844 /nfs/dbraw/zinc/63/48/44/1135634844.db2.gz VVAZWRNGNLFQBQ-ZRZAMGCNSA-N 2 1 349.522 3.858 20 0 EHADMP C[C@]12C[NH+](CCCc3cccnc3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001196962942 1135634848 /nfs/dbraw/zinc/63/48/48/1135634848.db2.gz VVAZWRNGNLFQBQ-ZRZAMGCNSA-N 2 1 349.522 3.858 20 0 EHADMP C[C@]12C[NH+](CCCc3cccnc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001196962942 1135634855 /nfs/dbraw/zinc/63/48/55/1135634855.db2.gz VVAZWRNGNLFQBQ-ZRZAMGCNSA-N 2 1 349.522 3.858 20 0 EHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000808454520 1135670808 /nfs/dbraw/zinc/67/08/08/1135670808.db2.gz KVWIOLPHRHHOFR-GTPINHCMSA-N 2 1 341.540 3.532 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000808454520 1135670812 /nfs/dbraw/zinc/67/08/12/1135670812.db2.gz KVWIOLPHRHHOFR-GTPINHCMSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC001197587265 1135711240 /nfs/dbraw/zinc/71/12/40/1135711240.db2.gz APPANEIPRSIGTI-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP C[C@]12C[NH+](C[C@H]3CCC(F)(F)C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001197587265 1135711243 /nfs/dbraw/zinc/71/12/43/1135711243.db2.gz APPANEIPRSIGTI-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP C[C@]12C[NH+](C[C@H]3CCC(F)(F)C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001197587265 1135711246 /nfs/dbraw/zinc/71/12/46/1135711246.db2.gz APPANEIPRSIGTI-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H](O)c2ccccc2)C1 ZINC000808727052 1135723455 /nfs/dbraw/zinc/72/34/55/1135723455.db2.gz CFLDRNVLVZQLIF-ZJOUEHCJSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727052 1135723458 /nfs/dbraw/zinc/72/34/58/1135723458.db2.gz CFLDRNVLVZQLIF-ZJOUEHCJSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727052 1135723463 /nfs/dbraw/zinc/72/34/63/1135723463.db2.gz CFLDRNVLVZQLIF-ZJOUEHCJSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160466630 1135738084 /nfs/dbraw/zinc/73/80/84/1135738084.db2.gz WAAQZTUVQHMKOW-NQIIRXRSSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000160466630 1135738088 /nfs/dbraw/zinc/73/80/88/1135738088.db2.gz WAAQZTUVQHMKOW-NQIIRXRSSA-N 2 1 341.543 3.646 20 0 EHADMP OC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCCCC1 ZINC000747531217 1135744087 /nfs/dbraw/zinc/74/40/87/1135744087.db2.gz GBWZJRTXBPULAE-OAQYLSRUSA-N 2 1 342.527 3.670 20 0 EHADMP OC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCCC1 ZINC000747531217 1135744089 /nfs/dbraw/zinc/74/40/89/1135744089.db2.gz GBWZJRTXBPULAE-OAQYLSRUSA-N 2 1 342.527 3.670 20 0 EHADMP OC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCCC1 ZINC000747531217 1135744090 /nfs/dbraw/zinc/74/40/90/1135744090.db2.gz GBWZJRTXBPULAE-OAQYLSRUSA-N 2 1 342.527 3.670 20 0 EHADMP CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000809739025 1135883599 /nfs/dbraw/zinc/88/35/99/1135883599.db2.gz URIULCQJXDFVHY-UHFFFAOYSA-N 2 1 330.447 3.918 20 0 EHADMP COc1cccc2cc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)oc21 ZINC000809754786 1135887115 /nfs/dbraw/zinc/88/71/15/1135887115.db2.gz AXMZQZDWZVHAHO-QGZVFWFLSA-N 2 1 328.456 3.605 20 0 EHADMP Cc1ccc(Br)c(F)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001199403010 1135903650 /nfs/dbraw/zinc/90/36/50/1135903650.db2.gz CJYCFLOVEJXOHJ-LBPRGKRZSA-N 2 1 343.284 3.718 20 0 EHADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201541098 1136033788 /nfs/dbraw/zinc/03/37/88/1136033788.db2.gz CFBCAPZCEJCULB-QGZVFWFLSA-N 2 1 336.545 3.851 20 0 EHADMP Fc1ccc(COc2cccc(C[NH2+]CCC[NH+]3CCC3)c2)cc1 ZINC001201832998 1136068446 /nfs/dbraw/zinc/06/84/46/1136068446.db2.gz JJMXHYNNKYHFLY-UHFFFAOYSA-N 2 1 328.431 3.590 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000850029592 1136200604 /nfs/dbraw/zinc/20/06/04/1136200604.db2.gz CRKSXLANKKMAAW-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372938 1136244266 /nfs/dbraw/zinc/24/42/66/1136244266.db2.gz BLIRFOWHINPZAN-VLCRHTCISA-N 2 1 348.490 3.952 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372938 1136244269 /nfs/dbraw/zinc/24/42/69/1136244269.db2.gz BLIRFOWHINPZAN-VLCRHTCISA-N 2 1 348.490 3.952 20 0 EHADMP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000850402439 1136250329 /nfs/dbraw/zinc/25/03/29/1136250329.db2.gz KNLYDOCDNRYOCQ-IBGZPJMESA-N 2 1 339.458 3.613 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850414070 1136254156 /nfs/dbraw/zinc/25/41/56/1136254156.db2.gz UKCZAXGVRGJVMY-YDZRNGNQSA-N 2 1 336.907 3.614 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850529935 1136279107 /nfs/dbraw/zinc/27/91/07/1136279107.db2.gz UPGGNFXQGVNHME-IDCXYZFESA-N 2 1 328.500 3.798 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850528701 1136279527 /nfs/dbraw/zinc/27/95/27/1136279527.db2.gz MNFCKVIDGDFTIA-PZKPASOESA-N 2 1 336.479 3.665 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)ccc1OC ZINC000850572678 1136289621 /nfs/dbraw/zinc/28/96/21/1136289621.db2.gz NPDOGILAVDOMRV-CVEARBPZSA-N 2 1 344.503 3.682 20 0 EHADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3[NH3+])C[C@@H]21 ZINC001170730176 1136410811 /nfs/dbraw/zinc/41/08/11/1136410811.db2.gz IMZWEETUCUHJQG-PKRCTNRZSA-N 2 1 344.502 3.998 20 0 EHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1CCC[NH3+] ZINC000852758680 1136483519 /nfs/dbraw/zinc/48/35/19/1136483519.db2.gz DCXPSUNAUUBLGV-OXQOHEQNSA-N 2 1 339.483 3.618 20 0 EHADMP CCc1ccc2c(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc(=O)oc2c1 ZINC000852758993 1136483674 /nfs/dbraw/zinc/48/36/74/1136483674.db2.gz IOOMGSQVLXSTGA-DNVCBOLYSA-N 2 1 342.483 3.695 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000815071813 1136546511 /nfs/dbraw/zinc/54/65/11/1136546511.db2.gz WIVKBQZHPZEQIX-CZAAIQMYSA-N 2 1 326.484 3.535 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C)CC(C)C)C2)ccn1 ZINC000856551240 1136793852 /nfs/dbraw/zinc/79/38/52/1136793852.db2.gz NRGKPGXPDSVMEG-FXAWDEMLSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)ccn1 ZINC000856551240 1136793855 /nfs/dbraw/zinc/79/38/55/1136793855.db2.gz NRGKPGXPDSVMEG-FXAWDEMLSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)ccn1 ZINC000856551240 1136793857 /nfs/dbraw/zinc/79/38/57/1136793857.db2.gz NRGKPGXPDSVMEG-FXAWDEMLSA-N 2 1 333.520 3.669 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(C)c3)C2)ccn1 ZINC000856548086 1136794127 /nfs/dbraw/zinc/79/41/27/1136794127.db2.gz GRQXEBFYLUNBPF-LJQANCHMSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3csc(C)c3)C2)ccn1 ZINC000856548086 1136794129 /nfs/dbraw/zinc/79/41/29/1136794129.db2.gz GRQXEBFYLUNBPF-LJQANCHMSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3csc(C)c3)C2)ccn1 ZINC000856548086 1136794131 /nfs/dbraw/zinc/79/41/31/1136794131.db2.gz GRQXEBFYLUNBPF-LJQANCHMSA-N 2 1 345.512 3.557 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3=CCCCC3)C2)ccn1 ZINC000856584881 1136797551 /nfs/dbraw/zinc/79/75/51/1136797551.db2.gz UCQWPSLLDHMBOE-OAQYLSRUSA-N 2 1 343.515 3.877 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)ccn1 ZINC000856584881 1136797552 /nfs/dbraw/zinc/79/75/52/1136797552.db2.gz UCQWPSLLDHMBOE-OAQYLSRUSA-N 2 1 343.515 3.877 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)ccn1 ZINC000856584881 1136797555 /nfs/dbraw/zinc/79/75/55/1136797555.db2.gz UCQWPSLLDHMBOE-OAQYLSRUSA-N 2 1 343.515 3.877 20 0 EHADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817892339 1136843399 /nfs/dbraw/zinc/84/33/99/1136843399.db2.gz SVHKRRLAORRVQK-CWRNSKLLSA-N 2 1 341.268 3.599 20 0 EHADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000817959133 1136852013 /nfs/dbraw/zinc/85/20/13/1136852013.db2.gz PNFCJCWQSJAKLE-NYLDSWQDSA-N 2 1 332.532 3.903 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000857847767 1136911470 /nfs/dbraw/zinc/91/14/70/1136911470.db2.gz XUTIUONMXPWFDZ-JXFKEZNVSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857847767 1136911478 /nfs/dbraw/zinc/91/14/78/1136911478.db2.gz XUTIUONMXPWFDZ-JXFKEZNVSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857847767 1136911480 /nfs/dbraw/zinc/91/14/80/1136911480.db2.gz XUTIUONMXPWFDZ-JXFKEZNVSA-N 2 1 338.499 3.951 20 0 EHADMP CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000858258385 1136953422 /nfs/dbraw/zinc/95/34/22/1136953422.db2.gz HJGBFNGUEURIJF-WKILWMFISA-N 2 1 339.549 3.668 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccns1 ZINC000858576511 1136980209 /nfs/dbraw/zinc/98/02/09/1136980209.db2.gz LUUVOKFQPQQROY-MIGBEJBISA-N 2 1 327.497 3.989 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccns1 ZINC000858576511 1136980210 /nfs/dbraw/zinc/98/02/10/1136980210.db2.gz LUUVOKFQPQQROY-MIGBEJBISA-N 2 1 327.497 3.989 20 0 EHADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccnc1F ZINC000862278122 1137136751 /nfs/dbraw/zinc/13/67/51/1137136751.db2.gz AAKABJPQYWSOJQ-IHWFROFDSA-N 2 1 339.458 3.814 20 0 EHADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccnc1F ZINC000862278122 1137136753 /nfs/dbraw/zinc/13/67/53/1137136753.db2.gz AAKABJPQYWSOJQ-IHWFROFDSA-N 2 1 339.458 3.814 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171063690 1137150212 /nfs/dbraw/zinc/15/02/12/1137150212.db2.gz OQAZSXPNRKXMNN-IUODEOHRSA-N 2 1 327.299 3.782 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000429551683 1137162623 /nfs/dbraw/zinc/16/26/23/1137162623.db2.gz VOIULADXDDWEKA-HNNXBMFYSA-N 2 1 330.394 3.544 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794560851 1137204055 /nfs/dbraw/zinc/20/40/55/1137204055.db2.gz PRLZYIYPVFFSAL-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794560851 1137204057 /nfs/dbraw/zinc/20/40/57/1137204057.db2.gz PRLZYIYPVFFSAL-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP COCC[N@@H+](Cc1cccc(C(F)(F)F)c1C)C1CCN(C)CC1 ZINC001143924648 1137215560 /nfs/dbraw/zinc/21/55/60/1137215560.db2.gz LNXCTIHAZKUOJS-UHFFFAOYSA-N 2 1 344.421 3.556 20 0 EHADMP COCCN(Cc1cccc(C(F)(F)F)c1C)C1CC[NH+](C)CC1 ZINC001143924648 1137215561 /nfs/dbraw/zinc/21/55/61/1137215561.db2.gz LNXCTIHAZKUOJS-UHFFFAOYSA-N 2 1 344.421 3.556 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000339069676 1137234167 /nfs/dbraw/zinc/23/41/67/1137234167.db2.gz KKRIEPRIQCCWLW-UEXGIBASSA-N 2 1 330.516 3.851 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865414203 1137281457 /nfs/dbraw/zinc/28/14/57/1137281457.db2.gz MSSAFAOTGIGNFN-KRWDZBQOSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865414203 1137281459 /nfs/dbraw/zinc/28/14/59/1137281459.db2.gz MSSAFAOTGIGNFN-KRWDZBQOSA-N 2 1 338.499 3.882 20 0 EHADMP Fc1cccc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000865635859 1137300695 /nfs/dbraw/zinc/30/06/95/1137300695.db2.gz HWJADJMKJULFOT-MRXNPFEDSA-N 2 1 327.447 3.586 20 0 EHADMP CC(C)[C@](C)(Cc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000865708917 1137305661 /nfs/dbraw/zinc/30/56/61/1137305661.db2.gz GFZLBBSJDGOKKJ-IBGZPJMESA-N 2 1 331.529 3.952 20 0 EHADMP CN1Cc2ccccc2[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865805626 1137313159 /nfs/dbraw/zinc/31/31/59/1137313159.db2.gz HGACIUJKIRVKEU-OAQYLSRUSA-N 2 1 327.516 3.560 20 0 EHADMP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865831145 1137314775 /nfs/dbraw/zinc/31/47/75/1137314775.db2.gz SYVDPCDFKMSISG-MKXGPGLRSA-N 2 1 334.891 3.777 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000846220085 1137342234 /nfs/dbraw/zinc/34/22/34/1137342234.db2.gz AYSPYMFFRDKALW-LBPRGKRZSA-N 2 1 335.439 3.860 20 0 EHADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000866290122 1137343063 /nfs/dbraw/zinc/34/30/63/1137343063.db2.gz ORQFXXSYNKAYOI-KRWDZBQOSA-N 2 1 332.488 3.761 20 0 EHADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000866373639 1137350355 /nfs/dbraw/zinc/35/03/55/1137350355.db2.gz OTYYTQYFOUBKFC-ROUUACIJSA-N 2 1 325.500 3.877 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC2(Br)CC2)CC1)CC1CC1 ZINC000846842109 1137371330 /nfs/dbraw/zinc/37/13/30/1137371330.db2.gz RBPIJUKUPORYQE-UHFFFAOYSA-N 2 1 343.353 3.748 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCC3CCCCC3)CC2)CC1 ZINC001171275931 1137388146 /nfs/dbraw/zinc/38/81/46/1137388146.db2.gz GAXAQRRTYDKDKI-UHFFFAOYSA-N 2 1 335.580 3.839 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001171300059 1137401898 /nfs/dbraw/zinc/40/18/98/1137401898.db2.gz VUHWAWWCEAURDK-JONQDZQNSA-N 2 1 348.918 3.811 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001171300059 1137401900 /nfs/dbraw/zinc/40/19/00/1137401900.db2.gz VUHWAWWCEAURDK-JONQDZQNSA-N 2 1 348.918 3.811 20 0 EHADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001247015292 1137417467 /nfs/dbraw/zinc/41/74/67/1137417467.db2.gz HDIOGAZHIUWLJL-WFASDCNBSA-N 2 1 325.294 3.973 20 0 EHADMP C[C@@H]1C[C@H](N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171747078 1137508033 /nfs/dbraw/zinc/50/80/33/1137508033.db2.gz WMNORISLCXSXMX-KNQAVFIVSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962183 1137519678 /nfs/dbraw/zinc/51/96/78/1137519678.db2.gz BUHZPGLDYBMPIC-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001171962605 1137519964 /nfs/dbraw/zinc/51/99/64/1137519964.db2.gz FDLBVLHAZCJTPS-CQSZACIVSA-N 2 1 326.406 3.807 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171975474 1137524869 /nfs/dbraw/zinc/52/48/69/1137524869.db2.gz DEYZKEKYNVKUTB-KAGYGMCKSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171975474 1137524870 /nfs/dbraw/zinc/52/48/70/1137524870.db2.gz DEYZKEKYNVKUTB-KAGYGMCKSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171975474 1137524871 /nfs/dbraw/zinc/52/48/71/1137524871.db2.gz DEYZKEKYNVKUTB-KAGYGMCKSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976091 1137525555 /nfs/dbraw/zinc/52/55/55/1137525555.db2.gz HZQGGNXPNBBEBL-VQTJNVASSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976091 1137525557 /nfs/dbraw/zinc/52/55/57/1137525557.db2.gz HZQGGNXPNBBEBL-VQTJNVASSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976091 1137525559 /nfs/dbraw/zinc/52/55/59/1137525559.db2.gz HZQGGNXPNBBEBL-VQTJNVASSA-N 2 1 330.516 3.524 20 0 EHADMP CCO[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985568 1137527030 /nfs/dbraw/zinc/52/70/30/1137527030.db2.gz YBUSZAFXVPLIHH-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985568 1137527031 /nfs/dbraw/zinc/52/70/31/1137527031.db2.gz YBUSZAFXVPLIHH-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985568 1137527032 /nfs/dbraw/zinc/52/70/32/1137527032.db2.gz YBUSZAFXVPLIHH-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP FC[C@H]1[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001172084304 1137531387 /nfs/dbraw/zinc/53/13/87/1137531387.db2.gz WCMHONNYZFMXKI-MIDBNGEMSA-N 2 1 328.475 3.719 20 0 EHADMP FC[C@H]1[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001172084304 1137531389 /nfs/dbraw/zinc/53/13/89/1137531389.db2.gz WCMHONNYZFMXKI-MIDBNGEMSA-N 2 1 328.475 3.719 20 0 EHADMP FC[C@H]1[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001172084304 1137531391 /nfs/dbraw/zinc/53/13/91/1137531391.db2.gz WCMHONNYZFMXKI-MIDBNGEMSA-N 2 1 328.475 3.719 20 0 EHADMP CCN(CCC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172089047 1137532119 /nfs/dbraw/zinc/53/21/19/1137532119.db2.gz PKWQUYLYYPPXGA-ZBYYUNFXSA-N 2 1 343.559 3.846 20 0 EHADMP C[C@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067611 1137534147 /nfs/dbraw/zinc/53/41/47/1137534147.db2.gz DWLYLJKSAPOXGB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067611 1137534148 /nfs/dbraw/zinc/53/41/48/1137534148.db2.gz DWLYLJKSAPOXGB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067611 1137534150 /nfs/dbraw/zinc/53/41/50/1137534150.db2.gz DWLYLJKSAPOXGB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067611 1137534152 /nfs/dbraw/zinc/53/41/52/1137534152.db2.gz DWLYLJKSAPOXGB-LRSLUSHPSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@H]1COCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068844 1137534457 /nfs/dbraw/zinc/53/44/57/1137534457.db2.gz LMAMPZXVOHELGL-AYWYSENESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1COCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068844 1137534459 /nfs/dbraw/zinc/53/44/59/1137534459.db2.gz LMAMPZXVOHELGL-AYWYSENESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1COCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068844 1137534461 /nfs/dbraw/zinc/53/44/61/1137534461.db2.gz LMAMPZXVOHELGL-AYWYSENESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1COCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068844 1137534462 /nfs/dbraw/zinc/53/44/62/1137534462.db2.gz LMAMPZXVOHELGL-AYWYSENESA-N 2 1 328.500 3.540 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127521 1137534786 /nfs/dbraw/zinc/53/47/86/1137534786.db2.gz JFULAIVDVWGISK-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127521 1137534788 /nfs/dbraw/zinc/53/47/88/1137534788.db2.gz JFULAIVDVWGISK-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172127521 1137534790 /nfs/dbraw/zinc/53/47/90/1137534790.db2.gz JFULAIVDVWGISK-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172127521 1137534792 /nfs/dbraw/zinc/53/47/92/1137534792.db2.gz JFULAIVDVWGISK-CGXNFDGLSA-N 2 1 342.527 3.965 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129079 1137535593 /nfs/dbraw/zinc/53/55/93/1137535593.db2.gz VYVJGOPZCQQGMI-NMLBUPMWSA-N 2 1 348.918 3.903 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129079 1137535594 /nfs/dbraw/zinc/53/55/94/1137535594.db2.gz VYVJGOPZCQQGMI-NMLBUPMWSA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129079 1137535595 /nfs/dbraw/zinc/53/55/95/1137535595.db2.gz VYVJGOPZCQQGMI-NMLBUPMWSA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129079 1137535596 /nfs/dbraw/zinc/53/55/96/1137535596.db2.gz VYVJGOPZCQQGMI-NMLBUPMWSA-N 2 1 348.918 3.903 20 0 EHADMP COc1cccc(CC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172128817 1137535682 /nfs/dbraw/zinc/53/56/82/1137535682.db2.gz UPBVIFQSPHWYQO-AERCQKQUSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(CC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172128817 1137535684 /nfs/dbraw/zinc/53/56/84/1137535684.db2.gz UPBVIFQSPHWYQO-AERCQKQUSA-N 2 1 342.527 3.965 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104298 1137536308 /nfs/dbraw/zinc/53/63/08/1137536308.db2.gz BJKTVXLYSUOWKK-PLACYPQZSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104298 1137536310 /nfs/dbraw/zinc/53/63/10/1137536310.db2.gz BJKTVXLYSUOWKK-PLACYPQZSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1c(F)cccc1C(F)(F)F)C2 ZINC001172105061 1137536328 /nfs/dbraw/zinc/53/63/28/1137536328.db2.gz FVBAWJVXCGIXBN-CLLJXQQHSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001172105061 1137536329 /nfs/dbraw/zinc/53/63/29/1137536329.db2.gz FVBAWJVXCGIXBN-CLLJXQQHSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001172105061 1137536330 /nfs/dbraw/zinc/53/63/30/1137536330.db2.gz FVBAWJVXCGIXBN-CLLJXQQHSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001172109855 1137537186 /nfs/dbraw/zinc/53/71/86/1137537186.db2.gz FNMVIVKSVCGXFV-REPLKXPHSA-N 2 1 348.918 3.951 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001172109855 1137537188 /nfs/dbraw/zinc/53/71/88/1137537188.db2.gz FNMVIVKSVCGXFV-REPLKXPHSA-N 2 1 348.918 3.951 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112965 1137537492 /nfs/dbraw/zinc/53/74/92/1137537492.db2.gz HEHLHXKRDUXSJP-HIUFNZKISA-N 2 1 335.495 3.908 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112965 1137537494 /nfs/dbraw/zinc/53/74/94/1137537494.db2.gz HEHLHXKRDUXSJP-HIUFNZKISA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112965 1137537495 /nfs/dbraw/zinc/53/74/95/1137537495.db2.gz HEHLHXKRDUXSJP-HIUFNZKISA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112965 1137537497 /nfs/dbraw/zinc/53/74/97/1137537497.db2.gz HEHLHXKRDUXSJP-HIUFNZKISA-N 2 1 335.495 3.908 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001172115215 1137538094 /nfs/dbraw/zinc/53/80/94/1137538094.db2.gz SDHHGICMYKUACV-BWTSREIZSA-N 2 1 347.934 3.605 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CSc4ccccc4C3)C2)cc1 ZINC001172190068 1137539619 /nfs/dbraw/zinc/53/96/19/1137539619.db2.gz IXAROKQYCPHYGA-ICSRJNTNSA-N 2 1 338.520 3.815 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(F)cc(F)c1 ZINC001172248610 1137544684 /nfs/dbraw/zinc/54/46/84/1137544684.db2.gz CILZSLBXZYGWJM-GOSISDBHSA-N 2 1 326.431 3.506 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001172255547 1137544731 /nfs/dbraw/zinc/54/47/31/1137544731.db2.gz VQNKXLHQQINFJC-FQEVSTJZSA-N 2 1 334.479 3.854 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001172255547 1137544732 /nfs/dbraw/zinc/54/47/32/1137544732.db2.gz VQNKXLHQQINFJC-FQEVSTJZSA-N 2 1 334.479 3.854 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2F)CC1 ZINC001172249253 1137544797 /nfs/dbraw/zinc/54/47/97/1137544797.db2.gz ZXCCVJVTNHDZGR-FQEVSTJZSA-N 2 1 334.479 3.757 20 0 EHADMP CCOc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CCCOC)CC2)cc1 ZINC001172255700 1137544949 /nfs/dbraw/zinc/54/49/49/1137544949.db2.gz KWFMLWPJMXUNDM-NRFANRHFSA-N 2 1 346.515 3.723 20 0 EHADMP CCOc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](CCCOC)CC2)cc1 ZINC001172255700 1137544951 /nfs/dbraw/zinc/54/49/51/1137544951.db2.gz KWFMLWPJMXUNDM-NRFANRHFSA-N 2 1 346.515 3.723 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C[C@H]1C ZINC001172373532 1137549489 /nfs/dbraw/zinc/54/94/89/1137549489.db2.gz AHYSHJZFRGRGAC-QWFCFKBJSA-N 2 1 344.547 3.675 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172421275 1137556618 /nfs/dbraw/zinc/55/66/18/1137556618.db2.gz RNICTUQQLMZGHY-MJGOQNOKSA-N 2 1 334.504 3.771 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCOC1 ZINC000872090666 1137570741 /nfs/dbraw/zinc/57/07/41/1137570741.db2.gz DRGGZFSTDJPJMU-KCLUMXDGSA-N 2 1 330.516 3.549 20 0 EHADMP CCCCc1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158667 1137574606 /nfs/dbraw/zinc/57/46/06/1137574606.db2.gz WVOTZQJSTGMNOX-RDJZCZTQSA-N 2 1 334.508 3.532 20 0 EHADMP CCCCc1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158667 1137574607 /nfs/dbraw/zinc/57/46/07/1137574607.db2.gz WVOTZQJSTGMNOX-RDJZCZTQSA-N 2 1 334.508 3.532 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000876719071 1137659549 /nfs/dbraw/zinc/65/95/49/1137659549.db2.gz CHVPCQDCQAGZQR-KQSNUMSTSA-N 2 1 341.499 3.555 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CSCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877086674 1137669839 /nfs/dbraw/zinc/66/98/39/1137669839.db2.gz QSIRCWZGMLKWEF-UHOSZYNNSA-N 2 1 348.581 3.793 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CSCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877086674 1137669840 /nfs/dbraw/zinc/66/98/40/1137669840.db2.gz QSIRCWZGMLKWEF-UHOSZYNNSA-N 2 1 348.581 3.793 20 0 EHADMP COc1c(C)cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1C ZINC000877145561 1137671469 /nfs/dbraw/zinc/67/14/69/1137671469.db2.gz LCBMQLQWMVYODN-UHFFFAOYSA-N 2 1 341.499 3.837 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(ccnc4Cl)o3)C2)CC1 ZINC000877528758 1137679745 /nfs/dbraw/zinc/67/97/45/1137679745.db2.gz JTLQIFAJGBIEKO-AWEZNQCLSA-N 2 1 333.863 3.645 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878048632 1137700707 /nfs/dbraw/zinc/70/07/07/1137700707.db2.gz TXBUUZSGBNVZAB-SFTDATJTSA-N 2 1 330.516 3.959 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)O2)cc1 ZINC000878122171 1137703510 /nfs/dbraw/zinc/70/35/10/1137703510.db2.gz XIHAKIYFHLTPIR-HKBOAZHASA-N 2 1 328.500 3.857 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878148617 1137704395 /nfs/dbraw/zinc/70/43/95/1137704395.db2.gz QMBXFNRCVMUTCW-SESVDKBCSA-N 2 1 330.516 3.961 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000879203765 1137741106 /nfs/dbraw/zinc/74/11/06/1137741106.db2.gz VLGWREVWQYAPJV-UXHICEINSA-N 2 1 328.500 3.857 20 0 EHADMP Cc1cccc2c(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149452 1137766519 /nfs/dbraw/zinc/76/65/19/1137766519.db2.gz USXUCRNOLBKVGB-LJQANCHMSA-N 2 1 348.494 3.825 20 0 EHADMP Cc1cccc2c(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149452 1137766520 /nfs/dbraw/zinc/76/65/20/1137766520.db2.gz USXUCRNOLBKVGB-LJQANCHMSA-N 2 1 348.494 3.825 20 0 EHADMP Cc1cccc2c(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149452 1137766521 /nfs/dbraw/zinc/76/65/21/1137766521.db2.gz USXUCRNOLBKVGB-LJQANCHMSA-N 2 1 348.494 3.825 20 0 EHADMP Cc1cccc2c(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149452 1137766522 /nfs/dbraw/zinc/76/65/22/1137766522.db2.gz USXUCRNOLBKVGB-LJQANCHMSA-N 2 1 348.494 3.825 20 0 EHADMP Cc1csc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001137156280 1137780383 /nfs/dbraw/zinc/78/03/83/1137780383.db2.gz ZTWRPUQPWGOLCK-UHFFFAOYSA-N 2 1 341.524 3.940 20 0 EHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000881628459 1137812035 /nfs/dbraw/zinc/81/20/35/1137812035.db2.gz RLWIDHIESWWCID-LJQANCHMSA-N 2 1 349.563 3.508 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCC[C@]24CCCO4)C3)cc1 ZINC000883367962 1137857829 /nfs/dbraw/zinc/85/78/29/1137857829.db2.gz BTKCZUSPTBSKAM-BDHVOXNPSA-N 2 1 340.511 3.873 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)O2)cc1 ZINC000883429153 1137860427 /nfs/dbraw/zinc/86/04/27/1137860427.db2.gz NCZVYOQHUJNAPL-BURNTYAHSA-N 2 1 328.500 3.618 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CCCC2)CC1 ZINC000348238842 1137872299 /nfs/dbraw/zinc/87/22/99/1137872299.db2.gz GDKKKQGWJRCCHN-PZJWPPBQSA-N 2 1 342.527 3.803 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1 ZINC000112524934 1137908246 /nfs/dbraw/zinc/90/82/46/1137908246.db2.gz AAEHQFKWKXZATJ-KSZLIROESA-N 2 1 339.483 3.542 20 0 EHADMP Oc1ccccc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886521258 1138089467 /nfs/dbraw/zinc/08/94/67/1138089467.db2.gz XLYSOKAOQYLRBJ-TYPHKJRUSA-N 2 1 336.479 3.577 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886534133 1138091551 /nfs/dbraw/zinc/09/15/51/1138091551.db2.gz BJFDGBGYJFBYAY-KJJMTIBFSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886542942 1138094094 /nfs/dbraw/zinc/09/40/94/1138094094.db2.gz IHFFVGMBESPXTJ-MNVIUDHYSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCc3cccnc32)C[N@H+]1Cc1ccccc1 ZINC000886554768 1138095445 /nfs/dbraw/zinc/09/54/45/1138095445.db2.gz BPKUPAUYFLDKHC-YFVAEKQCSA-N 2 1 335.495 3.959 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886587898 1138099928 /nfs/dbraw/zinc/09/99/28/1138099928.db2.gz IALSKOJWVRFCGC-BJKUESEOSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)[nH+]c1C ZINC000886665870 1138111390 /nfs/dbraw/zinc/11/13/90/1138111390.db2.gz IMMISPAZBJWGMO-UHFFFAOYSA-N 2 1 336.439 3.660 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000886709472 1138121580 /nfs/dbraw/zinc/12/15/80/1138121580.db2.gz RKYNMLCGOYKTAN-UHFFFAOYSA-N 2 1 349.906 3.619 20 0 EHADMP COc1ccccc1SC[C@@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089515525 1138200695 /nfs/dbraw/zinc/20/06/95/1138200695.db2.gz UAFKZODMZLAYMN-GVDBMIGSSA-N 2 1 334.529 3.640 20 0 EHADMP Clc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000089551954 1138201376 /nfs/dbraw/zinc/20/13/76/1138201376.db2.gz DJUDZVQCDSBOJK-DLBZAZTESA-N 2 1 348.918 3.605 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648756 1138230276 /nfs/dbraw/zinc/23/02/76/1138230276.db2.gz RXZZSRAVGPISGN-UHFFFAOYSA-N 2 1 340.515 3.678 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741902 1138240135 /nfs/dbraw/zinc/24/01/35/1138240135.db2.gz CKVNQQXNAUCWMH-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741902 1138240138 /nfs/dbraw/zinc/24/01/38/1138240138.db2.gz CKVNQQXNAUCWMH-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741902 1138240140 /nfs/dbraw/zinc/24/01/40/1138240140.db2.gz CKVNQQXNAUCWMH-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093741902 1138240141 /nfs/dbraw/zinc/24/01/41/1138240141.db2.gz CKVNQQXNAUCWMH-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000124001376 1138277390 /nfs/dbraw/zinc/27/73/90/1138277390.db2.gz NMXSYNPZHAFWAR-HNNXBMFYSA-N 2 1 326.440 3.718 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000124990364 1138298838 /nfs/dbraw/zinc/29/88/38/1138298838.db2.gz JCWPCXWXUVALFD-UHFFFAOYSA-N 2 1 345.874 3.830 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126695452 1138336150 /nfs/dbraw/zinc/33/61/50/1138336150.db2.gz CZCLQBASZRYKFP-KRWDZBQOSA-N 2 1 343.540 3.655 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CCCO2 ZINC000131161925 1138499668 /nfs/dbraw/zinc/49/96/68/1138499668.db2.gz BPZKBQJDTXVYEF-IBGZPJMESA-N 2 1 332.488 3.619 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C[C@H](C)O1 ZINC000337376067 1138549410 /nfs/dbraw/zinc/54/94/10/1138549410.db2.gz AJFMGCBMTVPEMM-FUHIMQAGSA-N 2 1 328.500 3.718 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337453697 1138573791 /nfs/dbraw/zinc/57/37/91/1138573791.db2.gz VOMKGTSKUQZWKG-QGZVFWFLSA-N 2 1 347.503 3.522 20 0 EHADMP C[NH+](C)C/C=C/C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000264649508 1138590805 /nfs/dbraw/zinc/59/08/05/1138590805.db2.gz RZULEUZOLVZVHD-NTEUORMPSA-N 2 1 329.488 3.507 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000338006942 1138721919 /nfs/dbraw/zinc/72/19/19/1138721919.db2.gz DPNPPWPRGQKPQX-JTQLQIEISA-N 2 1 328.279 3.756 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCCC2)cc1 ZINC000338010547 1138723165 /nfs/dbraw/zinc/72/31/65/1138723165.db2.gz YVWDBQLNTLDMMR-HNAYVOBHSA-N 2 1 327.472 3.773 20 0 EHADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000338011971 1138723846 /nfs/dbraw/zinc/72/38/46/1138723846.db2.gz KUUUQEHEFGMJCW-MRXNPFEDSA-N 2 1 341.377 3.578 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCO[C@H]2CCCCO2)cc1 ZINC000338279841 1138813570 /nfs/dbraw/zinc/81/35/70/1138813570.db2.gz GRWIOBHVMWJAHI-UZLBHIALSA-N 2 1 343.471 3.765 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000152069670 1139071383 /nfs/dbraw/zinc/07/13/83/1139071383.db2.gz XPHAALIANWLLMJ-CQSZACIVSA-N 2 1 335.407 3.760 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC(F)F ZINC000174628341 1139431578 /nfs/dbraw/zinc/43/15/78/1139431578.db2.gz PCZRXNUUQCXVQT-HIFRSBDPSA-N 2 1 342.430 3.507 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC(F)F ZINC000174628341 1139431584 /nfs/dbraw/zinc/43/15/84/1139431584.db2.gz PCZRXNUUQCXVQT-HIFRSBDPSA-N 2 1 342.430 3.507 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000177954417 1139658300 /nfs/dbraw/zinc/65/83/00/1139658300.db2.gz KFBOKTHFIUWGNK-KUHUBIRLSA-N 2 1 335.455 3.642 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179632020 1139770362 /nfs/dbraw/zinc/77/03/62/1139770362.db2.gz FKYDYRRFKXXBJT-MRXNPFEDSA-N 2 1 346.906 3.526 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179632020 1139770368 /nfs/dbraw/zinc/77/03/68/1139770368.db2.gz FKYDYRRFKXXBJT-MRXNPFEDSA-N 2 1 346.906 3.526 20 0 EHADMP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180164543 1139815492 /nfs/dbraw/zinc/81/54/92/1139815492.db2.gz VVSUDPZSWVFDNO-SEJPIABJSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1nccn1C ZINC000182266520 1139961585 /nfs/dbraw/zinc/96/15/85/1139961585.db2.gz FNVIUKAYCQASDL-HXUWFJFHSA-N 2 1 340.515 3.893 20 0 EHADMP Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715675 1140165592 /nfs/dbraw/zinc/16/55/92/1140165592.db2.gz QEGMBZVHYNFPFI-ROUUACIJSA-N 2 1 343.515 3.566 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000187766514 1140270330 /nfs/dbraw/zinc/27/03/30/1140270330.db2.gz OCSDYYJUVALYNV-KRWDZBQOSA-N 2 1 345.556 3.970 20 0 EHADMP Fc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ncc[nH]2)cc1 ZINC000188007057 1140279346 /nfs/dbraw/zinc/27/93/46/1140279346.db2.gz WNZQVVHZTNSIGF-IBGZPJMESA-N 2 1 344.478 3.884 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000266958296 1140743376 /nfs/dbraw/zinc/74/33/76/1140743376.db2.gz HDXOBUVEDZBGCE-UHFFFAOYSA-N 2 1 334.467 3.575 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268774524 1140989645 /nfs/dbraw/zinc/98/96/45/1140989645.db2.gz GISHMDZYDCBAHI-BVYCBKJFSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000268844856 1141006460 /nfs/dbraw/zinc/00/64/60/1141006460.db2.gz ISSSFDWKPPDQJP-CQSZACIVSA-N 2 1 337.414 3.794 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009830 /nfs/dbraw/zinc/00/98/30/1141009830.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009841 /nfs/dbraw/zinc/00/98/41/1141009841.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009847 /nfs/dbraw/zinc/00/98/47/1141009847.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009855 /nfs/dbraw/zinc/00/98/55/1141009855.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009864 /nfs/dbraw/zinc/00/98/64/1141009864.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009871 /nfs/dbraw/zinc/00/98/71/1141009871.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855619 1141009880 /nfs/dbraw/zinc/00/98/80/1141009880.db2.gz GSFLSRRFZZKZQL-CEMLEFRQSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013822 /nfs/dbraw/zinc/01/38/22/1141013822.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013828 /nfs/dbraw/zinc/01/38/28/1141013828.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013835 /nfs/dbraw/zinc/01/38/35/1141013835.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013843 /nfs/dbraw/zinc/01/38/43/1141013843.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013850 /nfs/dbraw/zinc/01/38/50/1141013850.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013857 /nfs/dbraw/zinc/01/38/57/1141013857.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013865 /nfs/dbraw/zinc/01/38/65/1141013865.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013868 /nfs/dbraw/zinc/01/38/68/1141013868.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869461 1141013875 /nfs/dbraw/zinc/01/38/75/1141013875.db2.gz JVJWTQPYKMBHOI-CEMLEFRQSA-N 3 1 343.559 3.750 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000268896468 1141020347 /nfs/dbraw/zinc/02/03/47/1141020347.db2.gz KGZRIRFTGJEUKY-IRXDYDNUSA-N 2 1 330.472 3.629 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269015482 1141046417 /nfs/dbraw/zinc/04/64/17/1141046417.db2.gz YEZRXWCWEYZJAE-QUCCMNQESA-N 2 1 332.532 3.818 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269015482 1141046424 /nfs/dbraw/zinc/04/64/24/1141046424.db2.gz YEZRXWCWEYZJAE-QUCCMNQESA-N 2 1 332.532 3.818 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000269045896 1141054740 /nfs/dbraw/zinc/05/47/40/1141054740.db2.gz YKMODVNGPCKPOG-DNVCBOLYSA-N 2 1 343.540 3.803 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH2+]C)c2)cc1)C(C)C ZINC000269126914 1141069136 /nfs/dbraw/zinc/06/91/36/1141069136.db2.gz GDJKXWHISRBHFA-UHFFFAOYSA-N 2 1 339.483 3.889 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000269682486 1141135071 /nfs/dbraw/zinc/13/50/71/1141135071.db2.gz FHYBVMCONGHPLQ-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000269682486 1141135075 /nfs/dbraw/zinc/13/50/75/1141135075.db2.gz FHYBVMCONGHPLQ-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698328 1141135929 /nfs/dbraw/zinc/13/59/29/1141135929.db2.gz XUSPBSREHCHNNW-UWJYYQICSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698328 1141135934 /nfs/dbraw/zinc/13/59/34/1141135934.db2.gz XUSPBSREHCHNNW-UWJYYQICSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698328 1141135937 /nfs/dbraw/zinc/13/59/37/1141135937.db2.gz XUSPBSREHCHNNW-UWJYYQICSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698328 1141135942 /nfs/dbraw/zinc/13/59/42/1141135942.db2.gz XUSPBSREHCHNNW-UWJYYQICSA-N 2 1 337.467 3.790 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271511752 1141385346 /nfs/dbraw/zinc/38/53/46/1141385346.db2.gz NVZOXWLMXFTEKW-SNRMKQJTSA-N 2 1 342.483 3.770 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000271562290 1141398049 /nfs/dbraw/zinc/39/80/49/1141398049.db2.gz XWXTUPAVWSNVCH-WMZOPIPTSA-N 2 1 329.513 3.576 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000271562290 1141398056 /nfs/dbraw/zinc/39/80/56/1141398056.db2.gz XWXTUPAVWSNVCH-WMZOPIPTSA-N 2 1 329.513 3.576 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000271670358 1141416034 /nfs/dbraw/zinc/41/60/34/1141416034.db2.gz IFBAJLVHXNPLPT-MRXNPFEDSA-N 2 1 334.261 3.695 20 0 EHADMP Cc1ccc2c(C)cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]c2c1 ZINC000274008083 1141461647 /nfs/dbraw/zinc/46/16/47/1141461647.db2.gz BBOATDSSALPKSM-QGZVFWFLSA-N 2 1 339.483 3.764 20 0 EHADMP Cc1sccc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000339182093 1141520264 /nfs/dbraw/zinc/52/02/64/1141520264.db2.gz QGXPBAYGHJHCJC-FQEVSTJZSA-N 2 1 343.540 3.525 20 0 EHADMP c1cc2c(cc[nH+]c2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC001164626443 719056813 /nfs/dbraw/zinc/05/68/13/719056813.db2.gz RBNBMZZDAPVOMW-YLJYHZDGSA-N 2 1 332.451 3.664 20 0 EHADMP C[N@@H+](Cc1cc2cccnc2o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449028076 1032061409 /nfs/dbraw/zinc/06/14/09/1032061409.db2.gz NQYHUUWMVBMCAT-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP C[N@H+](Cc1cc2cccnc2o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449028076 1032061428 /nfs/dbraw/zinc/06/14/28/1032061428.db2.gz NQYHUUWMVBMCAT-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cccnc2o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449028076 1032061444 /nfs/dbraw/zinc/06/14/44/1032061444.db2.gz NQYHUUWMVBMCAT-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cccnc2o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449028076 1032061464 /nfs/dbraw/zinc/06/14/64/1032061464.db2.gz NQYHUUWMVBMCAT-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ccn(C)n1 ZINC000579764151 1014410156 /nfs/dbraw/zinc/41/01/56/1014410156.db2.gz CITRBIXWFOJYPQ-HXUWFJFHSA-N 2 1 340.515 3.893 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H]1C ZINC000449024885 1032100079 /nfs/dbraw/zinc/10/00/79/1032100079.db2.gz AAJAANCCXNRBOC-KXBFYZLASA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H]1C ZINC000449024885 1032100090 /nfs/dbraw/zinc/10/00/90/1032100090.db2.gz AAJAANCCXNRBOC-KXBFYZLASA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H]1C ZINC000449024885 1032100104 /nfs/dbraw/zinc/10/01/04/1032100104.db2.gz AAJAANCCXNRBOC-KXBFYZLASA-N 2 1 344.478 3.531 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(SCC(F)F)cc1 ZINC000530513220 1015074720 /nfs/dbraw/zinc/07/47/20/1015074720.db2.gz UERAHXCHCNCTSN-GFCCVEGCSA-N 2 1 325.428 3.671 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000579863729 1015460290 /nfs/dbraw/zinc/46/02/90/1015460290.db2.gz MOWFADBLGSMQPC-CQSZACIVSA-N 2 1 334.410 3.825 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000579863729 1015460295 /nfs/dbraw/zinc/46/02/95/1015460295.db2.gz MOWFADBLGSMQPC-CQSZACIVSA-N 2 1 334.410 3.825 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000647328353 1032117063 /nfs/dbraw/zinc/11/70/63/1032117063.db2.gz RJSHDULFTUIJID-JXFKEZNVSA-N 2 1 342.458 3.977 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001208920332 1015596391 /nfs/dbraw/zinc/59/63/91/1015596391.db2.gz FYMSFDQFMDJMTO-PMACEKPBSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001208920332 1015596401 /nfs/dbraw/zinc/59/64/01/1015596401.db2.gz FYMSFDQFMDJMTO-PMACEKPBSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001208920332 1015596411 /nfs/dbraw/zinc/59/64/11/1015596411.db2.gz FYMSFDQFMDJMTO-PMACEKPBSA-N 2 1 342.527 3.836 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000232666082 1015662691 /nfs/dbraw/zinc/66/26/91/1015662691.db2.gz ANYPJPWABYJEGA-CYBMUJFWSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000232666082 1015662697 /nfs/dbraw/zinc/66/26/97/1015662697.db2.gz ANYPJPWABYJEGA-CYBMUJFWSA-N 2 1 345.712 3.922 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000182739023 1032126139 /nfs/dbraw/zinc/12/61/39/1032126139.db2.gz IQUIMAUKXOFJCH-UHFFFAOYSA-N 2 1 346.475 3.664 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)cc1 ZINC000183137322 1032136421 /nfs/dbraw/zinc/13/64/21/1032136421.db2.gz FZIBJXKUIBQQRS-INIZCTEOSA-N 2 1 348.450 3.778 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904573602 1032140411 /nfs/dbraw/zinc/14/04/11/1032140411.db2.gz YZYFARJCWHAWLS-OAHLLOKOSA-N 2 1 346.519 3.512 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449086490 1032142120 /nfs/dbraw/zinc/14/21/20/1032142120.db2.gz BRBQDQVWWTYMIK-GFCCVEGCSA-N 2 1 337.439 3.520 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449086490 1032142128 /nfs/dbraw/zinc/14/21/28/1032142128.db2.gz BRBQDQVWWTYMIK-GFCCVEGCSA-N 2 1 337.439 3.520 20 0 EHADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209453159 1016313060 /nfs/dbraw/zinc/31/30/60/1016313060.db2.gz ZIHAZUXPDGZSCJ-UHFFFAOYSA-N 2 1 347.522 3.598 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119329 1016465993 /nfs/dbraw/zinc/46/59/93/1016465993.db2.gz AABQQRJNIJYOPD-GJZGRUSLSA-N 2 1 326.431 3.979 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119329 1016466006 /nfs/dbraw/zinc/46/60/06/1016466006.db2.gz AABQQRJNIJYOPD-GJZGRUSLSA-N 2 1 326.431 3.979 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)CC[N@H+]1C ZINC000177891759 1016485126 /nfs/dbraw/zinc/48/51/26/1016485126.db2.gz DIZMEUHNYQUFMK-WIYYLYMNSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)CC[N@H+]1C ZINC000177891775 1016486205 /nfs/dbraw/zinc/48/62/05/1016486205.db2.gz DIZMEUHNYQUFMK-GHTZIAJQSA-N 2 1 338.495 3.880 20 0 EHADMP COCC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000361317687 1016498842 /nfs/dbraw/zinc/49/88/42/1016498842.db2.gz BLLBQVINIFRPMW-SFTDATJTSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317687 1016498853 /nfs/dbraw/zinc/49/88/53/1016498853.db2.gz BLLBQVINIFRPMW-SFTDATJTSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317687 1016498862 /nfs/dbraw/zinc/49/88/62/1016498862.db2.gz BLLBQVINIFRPMW-SFTDATJTSA-N 2 1 342.527 3.790 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340250924 1016780966 /nfs/dbraw/zinc/78/09/66/1016780966.db2.gz QBSILMCSTBTQBZ-QZTJIDSGSA-N 2 1 332.488 3.533 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340250924 1016780979 /nfs/dbraw/zinc/78/09/79/1016780979.db2.gz QBSILMCSTBTQBZ-QZTJIDSGSA-N 2 1 332.488 3.533 20 0 EHADMP CCOCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000782967992 1016893707 /nfs/dbraw/zinc/89/37/07/1016893707.db2.gz CSBUEXAQQCEJHA-MJGOQNOKSA-N 2 1 346.515 3.802 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000459466322 1032166518 /nfs/dbraw/zinc/16/65/18/1032166518.db2.gz OHTAWFATASGGER-UHFFFAOYSA-N 2 1 349.272 3.506 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449109112 1032190390 /nfs/dbraw/zinc/19/03/90/1032190390.db2.gz UWQSZYTZZDJPNK-LLVKDONJSA-N 2 1 325.428 3.518 20 0 EHADMP C[C@H](Cc1coc2ccccc12)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449132140 1032225539 /nfs/dbraw/zinc/22/55/39/1032225539.db2.gz SEHGLLGRQSMCDT-QGZVFWFLSA-N 2 1 342.483 3.598 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175137 1032269822 /nfs/dbraw/zinc/26/98/22/1032269822.db2.gz QJMVUOXFDOJVMF-JSGCOSHPSA-N 2 1 348.288 3.570 20 0 EHADMP Brc1ccc(/C=C/C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459582402 1032281102 /nfs/dbraw/zinc/28/11/02/1032281102.db2.gz RCEBTMVKLLFUJW-OWOJBTEDSA-N 2 1 335.289 3.679 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000905075074 1032344332 /nfs/dbraw/zinc/34/43/32/1032344332.db2.gz IQBXOYPECYITPD-YLJYHZDGSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000905075074 1032344342 /nfs/dbraw/zinc/34/43/42/1032344342.db2.gz IQBXOYPECYITPD-YLJYHZDGSA-N 2 1 344.524 3.592 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000037210941 1122180791 /nfs/dbraw/zinc/18/07/91/1122180791.db2.gz MMXBWDMPXVWWRO-CYBMUJFWSA-N 2 1 343.309 3.840 20 0 EHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449253961 1032362704 /nfs/dbraw/zinc/36/27/04/1032362704.db2.gz VKGFAYCOAUETQI-LBPRGKRZSA-N 2 1 329.271 3.612 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000459735784 1032438238 /nfs/dbraw/zinc/43/82/38/1032438238.db2.gz PQGDFZLOEPMADH-QGZVFWFLSA-N 2 1 349.950 3.626 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000090953716 1032580957 /nfs/dbraw/zinc/58/09/57/1032580957.db2.gz IFVLTHPQEIARIH-AVRDEDQJSA-N 2 1 338.495 3.738 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000449463882 1032612549 /nfs/dbraw/zinc/61/25/49/1032612549.db2.gz XBDMEDADCJSWQK-SWLSCSKDSA-N 2 1 338.377 3.739 20 0 EHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCn1cc[nH+]c1C ZINC000657862386 1032651815 /nfs/dbraw/zinc/65/18/15/1032651815.db2.gz DCCNKUDDRBEXFV-INIZCTEOSA-N 2 1 336.277 3.565 20 0 EHADMP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000449495624 1032661514 /nfs/dbraw/zinc/66/15/14/1032661514.db2.gz OSMUAKVEJPCPPR-PZJWPPBQSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000091286477 1032682386 /nfs/dbraw/zinc/68/23/86/1032682386.db2.gz AKZAFRARYMHYRB-IRXDYDNUSA-N 2 1 328.504 3.879 20 0 EHADMP c1nc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000377198414 1017420510 /nfs/dbraw/zinc/42/05/10/1017420510.db2.gz PDKXADFNRCDXJA-UHFFFAOYSA-N 2 1 327.497 3.631 20 0 EHADMP c1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000377198414 1017420518 /nfs/dbraw/zinc/42/05/18/1017420518.db2.gz PDKXADFNRCDXJA-UHFFFAOYSA-N 2 1 327.497 3.631 20 0 EHADMP c1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000377198414 1017420527 /nfs/dbraw/zinc/42/05/27/1017420527.db2.gz PDKXADFNRCDXJA-UHFFFAOYSA-N 2 1 327.497 3.631 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655707966 1017442069 /nfs/dbraw/zinc/44/20/69/1017442069.db2.gz BWAWOTQNFIILLN-LEWJYISDSA-N 2 1 346.490 3.900 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053187 1017462245 /nfs/dbraw/zinc/46/22/45/1017462245.db2.gz OMBHYEJTLBUGKD-SJLPKXTDSA-N 2 1 327.497 3.774 20 0 EHADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000111391970 1017474720 /nfs/dbraw/zinc/47/47/20/1017474720.db2.gz DBOZLCIKJLCQAO-AYHJJNSGSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000111391970 1017474732 /nfs/dbraw/zinc/47/47/32/1017474732.db2.gz DBOZLCIKJLCQAO-AYHJJNSGSA-N 2 1 327.497 3.737 20 0 EHADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000415108082 1017564829 /nfs/dbraw/zinc/56/48/29/1017564829.db2.gz OQCLFHDRUHOYFT-RHSMWYFYSA-N 2 1 329.419 3.633 20 0 EHADMP Clc1cccc(CC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000655775312 1017570049 /nfs/dbraw/zinc/57/00/49/1017570049.db2.gz VVTFSFFGJNKKRV-LJQANCHMSA-N 2 1 348.918 3.506 20 0 EHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C1 ZINC000415118508 1017574934 /nfs/dbraw/zinc/57/49/34/1017574934.db2.gz DHVFYCMFBWXAMM-DYVFJYSZSA-N 2 1 343.298 3.712 20 0 EHADMP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275609916 1017711492 /nfs/dbraw/zinc/71/14/92/1017711492.db2.gz RAWCHKMRQILUAQ-NHCUHLMSSA-N 2 1 342.527 3.632 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCCO1 ZINC000655850547 1017773366 /nfs/dbraw/zinc/77/33/66/1017773366.db2.gz WUVPRFBAJBKMMC-LEWJYISDSA-N 2 1 348.506 3.770 20 0 EHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(-c2ccnn2C)c1 ZINC000549249674 1017865872 /nfs/dbraw/zinc/86/58/72/1017865872.db2.gz YTIMDUMLJPGPGU-GOSISDBHSA-N 2 1 340.515 3.750 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000275644298 1017877682 /nfs/dbraw/zinc/87/76/82/1017877682.db2.gz TYZVFKUPIICXGB-STQMWFEESA-N 2 1 334.261 3.559 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000721642167 1018009317 /nfs/dbraw/zinc/00/93/17/1018009317.db2.gz QWNUCYKGSIYTHH-AABGKKOBSA-N 2 1 330.516 3.692 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340516982 1018202513 /nfs/dbraw/zinc/20/25/13/1018202513.db2.gz YAQRFARWQSZGTR-ZWOKBUDYSA-N 2 1 339.483 3.651 20 0 EHADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000177724435 1018460453 /nfs/dbraw/zinc/46/04/53/1018460453.db2.gz SAXZRDNTAHXITR-AWEZNQCLSA-N 2 1 329.513 3.859 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC000659873761 1018550675 /nfs/dbraw/zinc/55/06/75/1018550675.db2.gz NLZXAZGJAFEIEW-UHFFFAOYSA-N 2 1 327.472 3.635 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(OC(F)F)cc1C ZINC000580259760 1018885430 /nfs/dbraw/zinc/88/54/30/1018885430.db2.gz WJJXOAHHJRGHIG-HNNXBMFYSA-N 2 1 326.431 3.725 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(OC(F)F)cc1C ZINC000580259760 1018885437 /nfs/dbraw/zinc/88/54/37/1018885437.db2.gz WJJXOAHHJRGHIG-HNNXBMFYSA-N 2 1 326.431 3.725 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CCCCC2)cc1 ZINC000325824978 1018929606 /nfs/dbraw/zinc/92/96/06/1018929606.db2.gz NQDVHQSGDVFACK-ACRUOGEOSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CCCCC2)cc1 ZINC000325824978 1018929624 /nfs/dbraw/zinc/92/96/24/1018929624.db2.gz NQDVHQSGDVFACK-ACRUOGEOSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1ccnc(N)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000894175262 1019062911 /nfs/dbraw/zinc/06/29/11/1019062911.db2.gz DXIAALQAWOSAIC-QGZVFWFLSA-N 2 1 338.499 3.636 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933177 1019164104 /nfs/dbraw/zinc/16/41/04/1019164104.db2.gz BOBWWEIZNNBGMY-MHORFTMASA-N 2 1 346.540 3.602 20 0 EHADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CC3(C)COC3)C[C@H]2CC1 ZINC001279460782 1019414074 /nfs/dbraw/zinc/41/40/74/1019414074.db2.gz YYUZLMUAAYIPBF-SLFFLAALSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001279460782 1019414084 /nfs/dbraw/zinc/41/40/84/1019414084.db2.gz YYUZLMUAAYIPBF-SLFFLAALSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001279460782 1019414098 /nfs/dbraw/zinc/41/40/98/1019414098.db2.gz YYUZLMUAAYIPBF-SLFFLAALSA-N 2 1 336.564 3.883 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513232148 1019429241 /nfs/dbraw/zinc/42/92/41/1019429241.db2.gz GKMSANPDNKVSPZ-TYPHKJRUSA-N 2 1 332.532 3.816 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513232148 1019429250 /nfs/dbraw/zinc/42/92/50/1019429250.db2.gz GKMSANPDNKVSPZ-TYPHKJRUSA-N 2 1 332.532 3.816 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3F)nc2C)C[C@@H]1C ZINC000656252996 1019651889 /nfs/dbraw/zinc/65/18/89/1019651889.db2.gz HNNAGVIZFMYDQZ-MAUKXSAKSA-N 2 1 344.478 3.624 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000513545164 1019812822 /nfs/dbraw/zinc/81/28/22/1019812822.db2.gz ORLGOYPBQPSORI-PXNSSMCTSA-N 2 1 348.494 3.953 20 0 EHADMP CCCn1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513539948 1019822542 /nfs/dbraw/zinc/82/25/42/1019822542.db2.gz SYUUFUATTCRCIZ-ICSRJNTNSA-N 2 1 340.515 3.683 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000513656887 1019910123 /nfs/dbraw/zinc/91/01/23/1019910123.db2.gz YSJOXYBXUOGAPW-BZSNNMDCSA-N 2 1 349.906 3.521 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513659089 1019912718 /nfs/dbraw/zinc/91/27/18/1019912718.db2.gz AWUNOPZICGDVOR-BRWVUGGUSA-N 2 1 337.305 3.720 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CC3Cc4ccccc4C3)C2)c1 ZINC000580746667 1019971285 /nfs/dbraw/zinc/97/12/85/1019971285.db2.gz WFQRVKUXJKTBPK-QGZVFWFLSA-N 2 1 340.536 3.965 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CC3Cc4ccccc4C3)C2)c1 ZINC000580746667 1019971292 /nfs/dbraw/zinc/97/12/92/1019971292.db2.gz WFQRVKUXJKTBPK-QGZVFWFLSA-N 2 1 340.536 3.965 20 0 EHADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000345186654 1020038115 /nfs/dbraw/zinc/03/81/15/1020038115.db2.gz DIIAFYFIYAFFAN-OTWHNJEPSA-N 2 1 340.515 3.539 20 0 EHADMP CCCc1ncc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000449614842 1032884038 /nfs/dbraw/zinc/88/40/38/1032884038.db2.gz XGVKBZLZGKFJFB-AEFFLSMTSA-N 2 1 327.472 3.627 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000345521335 1020342894 /nfs/dbraw/zinc/34/28/94/1020342894.db2.gz HADNSBOJEHLSKD-QGZVFWFLSA-N 2 1 329.494 3.962 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000345521335 1020342906 /nfs/dbraw/zinc/34/29/06/1020342906.db2.gz HADNSBOJEHLSKD-QGZVFWFLSA-N 2 1 329.494 3.962 20 0 EHADMP Cc1nsc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000581139469 1020469797 /nfs/dbraw/zinc/46/97/97/1020469797.db2.gz CYCYANVYURKSPS-UHFFFAOYSA-N 2 1 338.480 3.630 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430542672 1020585492 /nfs/dbraw/zinc/58/54/92/1020585492.db2.gz CPOZLSWLBABGTD-LPHOPBHVSA-N 2 1 342.458 3.964 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035649 1020672058 /nfs/dbraw/zinc/67/20/58/1020672058.db2.gz ILCZUXZTTIQHMI-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035649 1020672066 /nfs/dbraw/zinc/67/20/66/1020672066.db2.gz ILCZUXZTTIQHMI-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035649 1020672071 /nfs/dbraw/zinc/67/20/71/1020672071.db2.gz ILCZUXZTTIQHMI-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)C[NH3+] ZINC000430565334 1020733650 /nfs/dbraw/zinc/73/36/50/1020733650.db2.gz FJXUTWRXGQEWHE-UHFFFAOYSA-N 2 1 339.483 3.599 20 0 EHADMP CS[C@@H](C)CC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279486644 1020840141 /nfs/dbraw/zinc/84/01/41/1020840141.db2.gz SFLNCKWBTXEGBO-KRWDZBQOSA-N 2 1 335.561 3.834 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000510420322 1020840810 /nfs/dbraw/zinc/84/08/10/1020840810.db2.gz DFYUHYLQYDJNHR-UHFFFAOYSA-N 2 1 330.394 3.891 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000510420322 1020840814 /nfs/dbraw/zinc/84/08/14/1020840814.db2.gz DFYUHYLQYDJNHR-UHFFFAOYSA-N 2 1 330.394 3.891 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000349414561 1020879044 /nfs/dbraw/zinc/87/90/44/1020879044.db2.gz HGXHEANISKSJTQ-UHFFFAOYSA-N 2 1 328.504 3.559 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000507471843 1021285061 /nfs/dbraw/zinc/28/50/61/1021285061.db2.gz PULLHYNVGIQPJU-WFXMLNOXSA-N 2 1 330.516 3.966 20 0 EHADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000507489612 1021306015 /nfs/dbraw/zinc/30/60/15/1021306015.db2.gz XNPNBNHQDWYWLX-QUCCMNQESA-N 2 1 337.511 3.859 20 0 EHADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000507489612 1021306031 /nfs/dbraw/zinc/30/60/31/1021306031.db2.gz XNPNBNHQDWYWLX-QUCCMNQESA-N 2 1 337.511 3.859 20 0 EHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000566088130 1021347883 /nfs/dbraw/zinc/34/78/83/1021347883.db2.gz ACTZWAHIFQCXNQ-OAHLLOKOSA-N 2 1 341.293 3.641 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000684370532 1021378727 /nfs/dbraw/zinc/37/87/27/1021378727.db2.gz XANCSCNRUCMRGI-JRGCBEDISA-N 2 1 330.516 3.966 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000684370530 1021379143 /nfs/dbraw/zinc/37/91/43/1021379143.db2.gz XANCSCNRUCMRGI-DZFGPLHGSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440545633 1021587241 /nfs/dbraw/zinc/58/72/41/1021587241.db2.gz DMSQDHOYYURKKF-HBFSDRIKSA-N 2 1 331.504 3.641 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440545633 1021587252 /nfs/dbraw/zinc/58/72/52/1021587252.db2.gz DMSQDHOYYURKKF-HBFSDRIKSA-N 2 1 331.504 3.641 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H]2CCO[C@@H]21 ZINC000516649841 1021627498 /nfs/dbraw/zinc/62/74/98/1021627498.db2.gz AUNPYJWWMIRTKU-WTGUMLROSA-N 2 1 340.511 3.587 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H]2CCO[C@@H]21 ZINC000516649841 1021627504 /nfs/dbraw/zinc/62/75/04/1021627504.db2.gz AUNPYJWWMIRTKU-WTGUMLROSA-N 2 1 340.511 3.587 20 0 EHADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2cc(F)ccc12 ZINC001167964896 1021632837 /nfs/dbraw/zinc/63/28/37/1021632837.db2.gz ZTTSQWNBGMBXAT-DFNIBXOVSA-N 2 1 341.474 3.860 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000341388445 1021662348 /nfs/dbraw/zinc/66/23/48/1021662348.db2.gz CBWIHFIBANZJHM-QGZVFWFLSA-N 2 1 328.504 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000341388445 1021662352 /nfs/dbraw/zinc/66/23/52/1021662352.db2.gz CBWIHFIBANZJHM-QGZVFWFLSA-N 2 1 328.504 3.773 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000289690792 1021801055 /nfs/dbraw/zinc/80/10/55/1021801055.db2.gz JXPQWBQRVDXFHH-ZDUSSCGKSA-N 2 1 340.309 3.759 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154579 1021888685 /nfs/dbraw/zinc/88/86/85/1021888685.db2.gz VKAHQEIJWRFMMT-QHAWAJNXSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154579 1021888699 /nfs/dbraw/zinc/88/86/99/1021888699.db2.gz VKAHQEIJWRFMMT-QHAWAJNXSA-N 2 1 340.511 3.731 20 0 EHADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000415009088 1021974648 /nfs/dbraw/zinc/97/46/48/1021974648.db2.gz FIUMNBANEVLKOZ-KBPBESRZSA-N 2 1 348.874 3.753 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OCCC(C)C ZINC000471756589 1021995833 /nfs/dbraw/zinc/99/58/33/1021995833.db2.gz FMKUCJFPJFHKEW-MRXNPFEDSA-N 2 1 345.487 3.747 20 0 EHADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cc2ccccc2o1 ZINC000425898016 1022141402 /nfs/dbraw/zinc/14/14/02/1022141402.db2.gz XGJDTBUIZKKZKG-ZDUSSCGKSA-N 2 1 325.412 3.739 20 0 EHADMP c1csc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)c1 ZINC000415038526 1022169186 /nfs/dbraw/zinc/16/91/86/1022169186.db2.gz HWYUJBFPBGKSJR-UKRRQHHQSA-N 2 1 333.526 3.836 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)c1 ZINC000415038526 1022169196 /nfs/dbraw/zinc/16/91/96/1022169196.db2.gz HWYUJBFPBGKSJR-UKRRQHHQSA-N 2 1 333.526 3.836 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919689 1022202651 /nfs/dbraw/zinc/20/26/51/1022202651.db2.gz GNYQCMKYBCZZBU-XLIONFOSSA-N 2 1 343.902 3.950 20 0 EHADMP FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000425918422 1022203193 /nfs/dbraw/zinc/20/31/93/1022203193.db2.gz FAZHKFKSPAFMPO-IPMKNSEASA-N 2 1 334.454 3.922 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414916084 1022204199 /nfs/dbraw/zinc/20/41/99/1022204199.db2.gz NRVKQTIMMMXHFP-ZDUSSCGKSA-N 2 1 327.453 3.788 20 0 EHADMP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000471795856 1022246821 /nfs/dbraw/zinc/24/68/21/1022246821.db2.gz BKNSTDXEUBPBMG-PCCBWWKXSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000415111093 1022300107 /nfs/dbraw/zinc/30/01/07/1022300107.db2.gz BRRXKQDKWOKTMQ-CEXWTWQISA-N 3 1 329.532 3.539 20 0 EHADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321559 1033040009 /nfs/dbraw/zinc/04/00/09/1033040009.db2.gz JLDIEHANNVDNKK-MISYRCLQSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321559 1033040017 /nfs/dbraw/zinc/04/00/17/1033040017.db2.gz JLDIEHANNVDNKK-MISYRCLQSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1 ZINC001167992769 1022329825 /nfs/dbraw/zinc/32/98/25/1022329825.db2.gz JYMSBBZFBKUUEA-CQSZACIVSA-N 2 1 341.434 3.627 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000894478671 1022369058 /nfs/dbraw/zinc/36/90/58/1022369058.db2.gz DCLDSSWJRCNILD-UHFFFAOYSA-N 2 1 331.508 3.752 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000894478671 1022369076 /nfs/dbraw/zinc/36/90/76/1022369076.db2.gz DCLDSSWJRCNILD-UHFFFAOYSA-N 2 1 331.508 3.752 20 0 EHADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)onc1-c1ccccc1 ZINC000647976586 1022405314 /nfs/dbraw/zinc/40/53/14/1022405314.db2.gz QMDYNBJQZLEVDN-MSOLQXFVSA-N 2 1 325.456 3.553 20 0 EHADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976686 1022408033 /nfs/dbraw/zinc/40/80/33/1022408033.db2.gz SAEHGRVILLDCRZ-NJAFHUGGSA-N 2 1 340.471 3.509 20 0 EHADMP Cc1cccc(N2CCC([NH2+]C[C@@H](C)c3ccc(F)cc3)CC2)[nH+]1 ZINC000438194282 1022464875 /nfs/dbraw/zinc/46/48/75/1022464875.db2.gz WNVPDBBALJVGEP-OAHLLOKOSA-N 2 1 327.447 3.891 20 0 EHADMP COc1cccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000192952490 1022538903 /nfs/dbraw/zinc/53/89/03/1022538903.db2.gz DDLBWZPYPFYQLQ-GOSISDBHSA-N 2 1 342.458 3.788 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167975175 1022576973 /nfs/dbraw/zinc/57/69/73/1022576973.db2.gz KHHBCPMOTAXOST-DLZDZTESSA-N 2 1 329.463 3.667 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)nc1 ZINC001167975175 1022576982 /nfs/dbraw/zinc/57/69/82/1022576982.db2.gz KHHBCPMOTAXOST-DLZDZTESSA-N 2 1 329.463 3.667 20 0 EHADMP COc1cccc2c1CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C2 ZINC000425948710 1022596182 /nfs/dbraw/zinc/59/61/82/1022596182.db2.gz DUUSYSZYTUBJLD-IEBWSBKVSA-N 2 1 330.516 3.797 20 0 EHADMP Oc1cccc2sc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cc21 ZINC000894593674 1022604813 /nfs/dbraw/zinc/60/48/13/1022604813.db2.gz WZVVRLQKIUIBLF-CQSZACIVSA-N 2 1 326.421 3.655 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414930339 1022664106 /nfs/dbraw/zinc/66/41/06/1022664106.db2.gz ANCIFVVIHSJBJS-APWZRJJASA-N 2 1 340.515 3.566 20 0 EHADMP CC1(C)C[N@H+](Cc2ccon2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837011 1022695446 /nfs/dbraw/zinc/69/54/46/1022695446.db2.gz LYPFAIWKWBSRQQ-HXUWFJFHSA-N 2 1 339.483 3.797 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccon2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837011 1022695458 /nfs/dbraw/zinc/69/54/58/1022695458.db2.gz LYPFAIWKWBSRQQ-HXUWFJFHSA-N 2 1 339.483 3.797 20 0 EHADMP Cc1cccnc1C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979159 1022743493 /nfs/dbraw/zinc/74/34/93/1022743493.db2.gz XBOFWSVGHAQGLE-YQQQUEKLSA-N 2 1 327.516 3.663 20 0 EHADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000430918687 1022871881 /nfs/dbraw/zinc/87/18/81/1022871881.db2.gz NUZBXBGUUPSXKT-UHFFFAOYSA-N 2 1 345.531 3.803 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158194555 1022917686 /nfs/dbraw/zinc/91/76/86/1022917686.db2.gz FSZOBCRZAFADJN-DZGCQCFKSA-N 2 1 330.501 3.506 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414941922 1022932487 /nfs/dbraw/zinc/93/24/87/1022932487.db2.gz CWLBWYYTRQMGSF-UKRRQHHQSA-N 2 1 340.895 3.758 20 0 EHADMP Clc1cc(Br)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430952205 1022943180 /nfs/dbraw/zinc/94/31/80/1022943180.db2.gz PGGUVPPBVQGYCW-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH2+]1 ZINC000414954990 1023003507 /nfs/dbraw/zinc/00/35/07/1023003507.db2.gz TVPOUZPXJQBYDW-STQMWFEESA-N 2 1 327.453 3.786 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000506945686 1023044218 /nfs/dbraw/zinc/04/42/18/1023044218.db2.gz YXZWIVRHJWIHNT-UHFFFAOYSA-N 2 1 340.515 3.816 20 0 EHADMP C[N@@H+](CCOc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000607358516 1033106149 /nfs/dbraw/zinc/10/61/49/1033106149.db2.gz XLNIBAQWEJRBHI-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358516 1033106155 /nfs/dbraw/zinc/10/61/55/1033106155.db2.gz XLNIBAQWEJRBHI-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358516 1033106160 /nfs/dbraw/zinc/10/61/60/1033106160.db2.gz XLNIBAQWEJRBHI-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP c1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1OCC2 ZINC000441487282 1023187267 /nfs/dbraw/zinc/18/72/67/1023187267.db2.gz GJEDIFOYHBDQJR-HXUWFJFHSA-N 2 1 342.527 3.752 20 0 EHADMP C[C@@H](c1ccccc1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCC1 ZINC000431061697 1023189988 /nfs/dbraw/zinc/18/99/88/1023189988.db2.gz LZDKATVZYFHFOY-AWEZNQCLSA-N 2 1 328.460 3.627 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCC1 ZINC000431061697 1023189995 /nfs/dbraw/zinc/18/99/95/1023189995.db2.gz LZDKATVZYFHFOY-AWEZNQCLSA-N 2 1 328.460 3.627 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000439090368 1023265128 /nfs/dbraw/zinc/26/51/28/1023265128.db2.gz WQLJWHQVNIEDKX-ZDUSSCGKSA-N 2 1 347.503 3.613 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000891911518 1023376832 /nfs/dbraw/zinc/37/68/32/1023376832.db2.gz WJAONGNIPPKXAM-GOSISDBHSA-N 2 1 340.471 3.605 20 0 EHADMP CC(C)[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000092560772 1023450343 /nfs/dbraw/zinc/45/03/43/1023450343.db2.gz VURIENAKSGWMQK-DAWZGUTISA-N 2 1 338.536 3.597 20 0 EHADMP COC1CCC(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483880 1023478349 /nfs/dbraw/zinc/47/83/49/1023478349.db2.gz NPEAXNCUYCZWHW-KJJOEJEFSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449741108 1033141448 /nfs/dbraw/zinc/14/14/48/1033141448.db2.gz SNYADBHJRBIUJA-QUCCMNQESA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1CC([N@H+]2CCCC3(COC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168045453 1023973238 /nfs/dbraw/zinc/97/32/38/1023973238.db2.gz KEEUQFZCLJUXPW-QZTJIDSGSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019788 1024003943 /nfs/dbraw/zinc/00/39/43/1024003943.db2.gz KBSDMBDWPHTPAP-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168019788 1024003961 /nfs/dbraw/zinc/00/39/61/1024003961.db2.gz KBSDMBDWPHTPAP-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168019788 1024003976 /nfs/dbraw/zinc/00/39/76/1024003976.db2.gz KBSDMBDWPHTPAP-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000277175895 1024019023 /nfs/dbraw/zinc/01/90/23/1024019023.db2.gz KYUGAPKVJGNDSL-GOSISDBHSA-N 2 1 347.503 3.950 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000277175895 1024019032 /nfs/dbraw/zinc/01/90/32/1024019032.db2.gz KYUGAPKVJGNDSL-GOSISDBHSA-N 2 1 347.503 3.950 20 0 EHADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000151382258 1024108771 /nfs/dbraw/zinc/10/87/71/1024108771.db2.gz JQKVFIXNXQGNBY-LJQANCHMSA-N 2 1 338.923 3.864 20 0 EHADMP C[C@@H]1C[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024234 1024310046 /nfs/dbraw/zinc/31/00/46/1024310046.db2.gz CRGGAHCUCBVCMH-KOUHRCEDSA-N 2 1 349.522 3.991 20 0 EHADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1C ZINC000414854527 1024431442 /nfs/dbraw/zinc/43/14/42/1024431442.db2.gz VDENIPADOVJKIV-DNVCBOLYSA-N 2 1 331.504 3.518 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000346180039 1024494888 /nfs/dbraw/zinc/49/48/88/1024494888.db2.gz JEQMJECHXXKHCD-DNVCBOLYSA-N 2 1 349.434 3.671 20 0 EHADMP Cc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1C ZINC000895499231 1024570815 /nfs/dbraw/zinc/57/08/15/1024570815.db2.gz VTDYEZSPQGFMGK-LJQANCHMSA-N 2 1 343.515 3.649 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cc3c(ccnc3Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895555861 1024609674 /nfs/dbraw/zinc/60/96/74/1024609674.db2.gz CZYIDWPOTFLHRM-CYBMUJFWSA-N 2 1 342.830 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc3c(ccnc3Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895555861 1024609677 /nfs/dbraw/zinc/60/96/77/1024609677.db2.gz CZYIDWPOTFLHRM-CYBMUJFWSA-N 2 1 342.830 3.587 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000474019723 1024749815 /nfs/dbraw/zinc/74/98/15/1024749815.db2.gz CKUSKUCKMVHJHJ-PWRODBHTSA-N 2 1 330.516 3.823 20 0 EHADMP Fc1ccc(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000469811085 1024782449 /nfs/dbraw/zinc/78/24/49/1024782449.db2.gz UEWIKTJXWAZUSD-ROUUACIJSA-N 2 1 334.454 3.846 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCCC1 ZINC000665249677 1024887550 /nfs/dbraw/zinc/88/75/50/1024887550.db2.gz WREHGMKUMBTYMC-AWEZNQCLSA-N 2 1 339.277 3.524 20 0 EHADMP Oc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435434655 1024904004 /nfs/dbraw/zinc/90/40/04/1024904004.db2.gz ZGBLRCKLBUNZKK-SFHVURJKSA-N 2 1 328.481 3.598 20 0 EHADMP Cc1cccnc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426869 1024913906 /nfs/dbraw/zinc/91/39/06/1024913906.db2.gz KJEKMJUEHXCLQD-GOSISDBHSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000105443110 1024942597 /nfs/dbraw/zinc/94/25/97/1024942597.db2.gz YUAGBVZJSUFTSG-CYBMUJFWSA-N 2 1 341.377 3.559 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N[C@H](CC[NH+](C)C)c2cccnc2)[nH+]1 ZINC000895892007 1024947857 /nfs/dbraw/zinc/94/78/57/1024947857.db2.gz VKHGUGMIJRWCEC-OAHLLOKOSA-N 2 1 338.377 3.909 20 0 EHADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000665252480 1024948191 /nfs/dbraw/zinc/94/81/91/1024948191.db2.gz QNQKIMULYYVRFY-ZHHKINOHSA-N 2 1 335.495 3.843 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000474463263 1025009842 /nfs/dbraw/zinc/00/98/42/1025009842.db2.gz BTMDOPNMJWACBE-QGZVFWFLSA-N 2 1 346.515 3.597 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093668 1025013534 /nfs/dbraw/zinc/01/35/34/1025013534.db2.gz QJQPUBXTXOYLRS-CZUORRHYSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093668 1025013541 /nfs/dbraw/zinc/01/35/41/1025013541.db2.gz QJQPUBXTXOYLRS-CZUORRHYSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093668 1025013546 /nfs/dbraw/zinc/01/35/46/1025013546.db2.gz QJQPUBXTXOYLRS-CZUORRHYSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093668 1025013554 /nfs/dbraw/zinc/01/35/54/1025013554.db2.gz QJQPUBXTXOYLRS-CZUORRHYSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccsc3)s2)C1 ZINC000515093668 1025013560 /nfs/dbraw/zinc/01/35/60/1025013560.db2.gz QJQPUBXTXOYLRS-CZUORRHYSA-N 2 1 333.526 3.788 20 0 EHADMP CC[N@@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435612550 1025033060 /nfs/dbraw/zinc/03/30/60/1025033060.db2.gz GPCKBXAHDJWPDU-GOSISDBHSA-N 2 1 325.456 3.838 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2cccs2)cc1F ZINC000665258791 1025038574 /nfs/dbraw/zinc/03/85/74/1025038574.db2.gz LLYZWSCIILHDSQ-OWQGQXMQSA-N 2 1 348.487 3.562 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281438493 1025050095 /nfs/dbraw/zinc/05/00/95/1025050095.db2.gz RYJYTYYSXSGQQS-PXNSSMCTSA-N 2 1 340.515 3.773 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1OC ZINC000474490881 1025059255 /nfs/dbraw/zinc/05/92/55/1025059255.db2.gz PHUOWTVQOOTZEA-CVEARBPZSA-N 2 1 334.504 3.660 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCc1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435737154 1025114315 /nfs/dbraw/zinc/11/43/15/1025114315.db2.gz FFJWLXVWLDZHDY-GOSISDBHSA-N 2 1 343.540 3.804 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C3CCC3)cnn2C)c1 ZINC000657332810 1025246006 /nfs/dbraw/zinc/24/60/06/1025246006.db2.gz QFPOEVHNPFIKPK-UHFFFAOYSA-N 2 1 340.515 3.818 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001168284888 1033270069 /nfs/dbraw/zinc/27/00/69/1033270069.db2.gz WZSWNIKSHXEPGB-ZCNNSNEGSA-N 2 1 328.500 3.501 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C2 ZINC001168284888 1033270084 /nfs/dbraw/zinc/27/00/84/1033270084.db2.gz WZSWNIKSHXEPGB-ZCNNSNEGSA-N 2 1 328.500 3.501 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C2 ZINC001168284888 1033270092 /nfs/dbraw/zinc/27/00/92/1033270092.db2.gz WZSWNIKSHXEPGB-ZCNNSNEGSA-N 2 1 328.500 3.501 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657334486 1025262024 /nfs/dbraw/zinc/26/20/24/1025262024.db2.gz BRPLDPPDEHWPEN-QGZVFWFLSA-N 2 1 343.446 3.833 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657334486 1025262031 /nfs/dbraw/zinc/26/20/31/1025262031.db2.gz BRPLDPPDEHWPEN-QGZVFWFLSA-N 2 1 343.446 3.833 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000522779139 1025285108 /nfs/dbraw/zinc/28/51/08/1025285108.db2.gz NTOPVRDGTXCLCI-LJQANCHMSA-N 2 1 338.536 3.698 20 0 EHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000346938082 1025331106 /nfs/dbraw/zinc/33/11/06/1025331106.db2.gz HQAACUJLAYFJPK-HUUCEWRRSA-N 2 1 342.487 3.525 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000453313231 1025338651 /nfs/dbraw/zinc/33/86/51/1025338651.db2.gz HWXYRGKOWXFIPU-YZGWKJHDSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000453313231 1025338669 /nfs/dbraw/zinc/33/86/69/1025338669.db2.gz HWXYRGKOWXFIPU-YZGWKJHDSA-N 2 1 328.500 3.761 20 0 EHADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366951545 1025342963 /nfs/dbraw/zinc/34/29/63/1025342963.db2.gz JOMSOFZVZVRMHB-UHFFFAOYSA-N 2 1 346.906 3.535 20 0 EHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000474727074 1025375972 /nfs/dbraw/zinc/37/59/72/1025375972.db2.gz QXIZLQGECXPLFU-JKSUJKDBSA-N 2 1 334.504 3.660 20 0 EHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000474727074 1025375984 /nfs/dbraw/zinc/37/59/84/1025375984.db2.gz QXIZLQGECXPLFU-JKSUJKDBSA-N 2 1 334.504 3.660 20 0 EHADMP COCc1csc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000657354999 1025425041 /nfs/dbraw/zinc/42/50/41/1025425041.db2.gz YIXREGGOECRJGA-SFHVURJKSA-N 2 1 344.524 3.549 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442710315 1025435980 /nfs/dbraw/zinc/43/59/80/1025435980.db2.gz PTJRSSIJZBKQLB-DLBZAZTESA-N 2 1 325.500 3.737 20 0 EHADMP C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192637828 1025481108 /nfs/dbraw/zinc/48/11/08/1025481108.db2.gz OZXPSLYPYZQSPD-PXNSSMCTSA-N 2 1 342.527 3.797 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1(C)C ZINC000442875710 1025547361 /nfs/dbraw/zinc/54/73/61/1025547361.db2.gz WOSFTWUHJDLDFA-IEBWSBKVSA-N 2 1 349.950 3.592 20 0 EHADMP C[C@H]([NH2+]Cc1noc2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000574583733 1033292285 /nfs/dbraw/zinc/29/22/85/1033292285.db2.gz MYXJKNJNMWYBSL-HNNXBMFYSA-N 2 1 339.439 3.619 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451146328 1025596507 /nfs/dbraw/zinc/59/65/07/1025596507.db2.gz KZEIMMDTUDHUMX-UHFFFAOYSA-N 2 1 339.361 3.759 20 0 EHADMP C[C@@H]1CC(N[C@@H]2CCC[N@@H+](C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014914 1025635585 /nfs/dbraw/zinc/63/55/85/1025635585.db2.gz NHHLZVKFSRCOBF-QWFCFKBJSA-N 2 1 329.532 3.502 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000530355044 1025698155 /nfs/dbraw/zinc/69/81/55/1025698155.db2.gz ZCCZUIBGTYLCCN-CQSZACIVSA-N 2 1 340.290 3.528 20 0 EHADMP c1cncc(C[NH2+]CCC[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000414884115 1025703668 /nfs/dbraw/zinc/70/36/68/1025703668.db2.gz UPKRQCLLAYBCTP-UHFFFAOYSA-N 2 1 339.483 3.673 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443078638 1025704687 /nfs/dbraw/zinc/70/46/87/1025704687.db2.gz XFKUPJYTLUFQAV-DLBZAZTESA-N 2 1 331.504 3.506 20 0 EHADMP Cc1cccc2c1CC(C)(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000451262449 1025718127 /nfs/dbraw/zinc/71/81/27/1025718127.db2.gz OJGBESRNUHZXBG-UHFFFAOYSA-N 2 1 343.559 3.548 20 0 EHADMP COCc1csc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000657384004 1025751131 /nfs/dbraw/zinc/75/11/31/1025751131.db2.gz PJHOBGGLKIFHRX-INIZCTEOSA-N 2 1 332.513 3.895 20 0 EHADMP COCc1csc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000657384004 1025751147 /nfs/dbraw/zinc/75/11/47/1025751147.db2.gz PJHOBGGLKIFHRX-INIZCTEOSA-N 2 1 332.513 3.895 20 0 EHADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000436468753 1025759734 /nfs/dbraw/zinc/75/97/34/1025759734.db2.gz HVYQGXXPZHVJTM-DZFGPLHGSA-N 2 1 328.500 3.554 20 0 EHADMP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530424975 1025799046 /nfs/dbraw/zinc/79/90/46/1025799046.db2.gz QTZMAWQDXYLIHY-IHPCNDPISA-N 2 1 332.532 3.674 20 0 EHADMP CCCn1nccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000657398050 1025924896 /nfs/dbraw/zinc/92/48/96/1025924896.db2.gz HWUVCWQPJRUQEH-ROUUACIJSA-N 2 1 340.515 3.539 20 0 EHADMP C[C@@H]1CC(N2CCC[N@H+]3CCC[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168052333 1025961958 /nfs/dbraw/zinc/96/19/58/1025961958.db2.gz KNZKOVLIOMNAQW-SBHAEUEKSA-N 2 1 341.543 3.598 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000530528175 1026005176 /nfs/dbraw/zinc/00/51/76/1026005176.db2.gz XYPMXLXKCCMVGI-UHFFFAOYSA-N 2 1 331.435 3.693 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@H+](C(C)(C)C)CC1 ZINC000530528175 1026005192 /nfs/dbraw/zinc/00/51/92/1026005192.db2.gz XYPMXLXKCCMVGI-UHFFFAOYSA-N 2 1 331.435 3.693 20 0 EHADMP Fc1ccc(CNCCC[NH2+]Cc2cccnc2)c(C(F)(F)F)c1 ZINC000414889616 1026067146 /nfs/dbraw/zinc/06/71/46/1026067146.db2.gz YUZVHDCUYJHSTA-UHFFFAOYSA-N 2 1 341.352 3.509 20 0 EHADMP Cc1cc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nc(C)[nH+]1 ZINC000339023996 1026346030 /nfs/dbraw/zinc/34/60/30/1026346030.db2.gz PFGBYAAGJBWTCC-HZPDHXFCSA-N 2 1 338.499 3.605 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)cc1 ZINC000475263626 1026423655 /nfs/dbraw/zinc/42/36/55/1026423655.db2.gz CMKSFFDNNVYLSW-GXRSIYKFSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)c1cnccn1 ZINC000159014935 1026453965 /nfs/dbraw/zinc/45/39/65/1026453965.db2.gz YHXOLZXMRRKOLN-BZSNNMDCSA-N 2 1 338.499 3.805 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192920992 1026640888 /nfs/dbraw/zinc/64/08/88/1026640888.db2.gz DBEPZWHVYNYVNC-NQIIRXRSSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000342734667 1026891171 /nfs/dbraw/zinc/89/11/71/1026891171.db2.gz OBEGQTUUGRMETQ-IONDEXAJSA-N 2 1 327.472 3.618 20 0 EHADMP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301700495 1026907834 /nfs/dbraw/zinc/90/78/34/1026907834.db2.gz FLAUFASUWATRAD-PMACEKPBSA-N 2 1 336.483 3.584 20 0 EHADMP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301700495 1026907842 /nfs/dbraw/zinc/90/78/42/1026907842.db2.gz FLAUFASUWATRAD-PMACEKPBSA-N 2 1 336.483 3.584 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100917 1026989011 /nfs/dbraw/zinc/98/90/11/1026989011.db2.gz BVBKWKMVEPLBHC-MRXNPFEDSA-N 2 1 342.270 3.602 20 0 EHADMP C[NH+](C)[C@H](CNc1cc[nH+]c2cc(Br)ccc12)C1CC1 ZINC000301998200 1027019102 /nfs/dbraw/zinc/01/91/02/1027019102.db2.gz UOJHMXJYGOHHPE-MRXNPFEDSA-N 2 1 334.261 3.749 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc(C)n1 ZINC000302059656 1027038841 /nfs/dbraw/zinc/03/88/41/1027038841.db2.gz BFSJYPWTVIJKNZ-KSSFIOAISA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059656 1027038848 /nfs/dbraw/zinc/03/88/48/1027038848.db2.gz BFSJYPWTVIJKNZ-KSSFIOAISA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059656 1027038859 /nfs/dbraw/zinc/03/88/59/1027038859.db2.gz BFSJYPWTVIJKNZ-KSSFIOAISA-N 2 1 330.501 3.904 20 0 EHADMP Cc1[nH+]c2ccccc2c(N2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000302096034 1027052551 /nfs/dbraw/zinc/05/25/51/1027052551.db2.gz SBJNQACWQZAPFQ-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000272854107 1027147761 /nfs/dbraw/zinc/14/77/61/1027147761.db2.gz KSBRFFQTGPASIG-UHFFFAOYSA-N 2 1 336.520 3.565 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cn2)c1 ZINC000531691889 1027192078 /nfs/dbraw/zinc/19/20/78/1027192078.db2.gz XKKOVRPANQTVOG-MJGOQNOKSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cn2)c1 ZINC000531691889 1027192085 /nfs/dbraw/zinc/19/20/85/1027192085.db2.gz XKKOVRPANQTVOG-MJGOQNOKSA-N 2 1 339.483 3.921 20 0 EHADMP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000302656545 1027224347 /nfs/dbraw/zinc/22/43/47/1027224347.db2.gz KXDMMAUBSDDRQN-OAHLLOKOSA-N 2 1 346.906 3.574 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000513713298 1027253590 /nfs/dbraw/zinc/25/35/90/1027253590.db2.gz NGCDJNMBBKILGB-IXDOHACOSA-N 2 1 342.405 3.547 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000513714175 1027260916 /nfs/dbraw/zinc/26/09/16/1027260916.db2.gz ZPZGAJONTOZMCF-IXDOHACOSA-N 2 1 342.405 3.547 20 0 EHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000453069355 1027281881 /nfs/dbraw/zinc/28/18/81/1027281881.db2.gz MJFJRDFEAKIWFU-UWJYYQICSA-N 2 1 339.483 3.543 20 0 EHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000453069355 1027281887 /nfs/dbraw/zinc/28/18/87/1027281887.db2.gz MJFJRDFEAKIWFU-UWJYYQICSA-N 2 1 339.483 3.543 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453060466 1027309278 /nfs/dbraw/zinc/30/92/78/1027309278.db2.gz MHBJNEJYYUUWAQ-INIZCTEOSA-N 2 1 338.499 3.612 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncn1 ZINC000453061670 1027313793 /nfs/dbraw/zinc/31/37/93/1027313793.db2.gz LHMPGGUKTJERSR-KSZLIROESA-N 2 1 338.499 3.805 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncn1 ZINC000453061670 1027313812 /nfs/dbraw/zinc/31/38/12/1027313812.db2.gz LHMPGGUKTJERSR-KSZLIROESA-N 2 1 338.499 3.805 20 0 EHADMP CCc1ncc(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)cn1 ZINC000414443896 1027374079 /nfs/dbraw/zinc/37/40/79/1027374079.db2.gz OLQJDTMQFQOECJ-UHFFFAOYSA-N 2 1 332.536 3.619 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115217 1027385396 /nfs/dbraw/zinc/38/53/96/1027385396.db2.gz WRIJBXVCQVTCNK-QZTJIDSGSA-N 2 1 340.515 3.858 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115217 1027385416 /nfs/dbraw/zinc/38/54/16/1027385416.db2.gz WRIJBXVCQVTCNK-QZTJIDSGSA-N 2 1 340.515 3.858 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453117754 1027395207 /nfs/dbraw/zinc/39/52/07/1027395207.db2.gz IGYFLAOCZGMJLL-PWRODBHTSA-N 2 1 344.543 3.818 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]12 ZINC000420314158 1027459999 /nfs/dbraw/zinc/45/99/99/1027459999.db2.gz VGAQMNPTHUHNMU-NJZAAPMLSA-N 2 1 333.888 3.633 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@H]12 ZINC000420314158 1027460005 /nfs/dbraw/zinc/46/00/05/1027460005.db2.gz VGAQMNPTHUHNMU-NJZAAPMLSA-N 2 1 333.888 3.633 20 0 EHADMP Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420346364 1027476858 /nfs/dbraw/zinc/47/68/58/1027476858.db2.gz WPAPZXSELHCWDC-BETUJISGSA-N 2 1 349.450 3.520 20 0 EHADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420328506 1027478850 /nfs/dbraw/zinc/47/88/50/1027478850.db2.gz ZPAVHFDVUZJXMZ-AWEZNQCLSA-N 2 1 345.314 3.568 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453165100 1027480150 /nfs/dbraw/zinc/48/01/50/1027480150.db2.gz AWQAQYUJYJVOFB-ZLNRFVROSA-N 2 1 349.522 3.965 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414654819 1027714066 /nfs/dbraw/zinc/71/40/66/1027714066.db2.gz CPIAPRKVCZGRNL-DLBZAZTESA-N 2 1 340.515 3.647 20 0 EHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1 ZINC000414654399 1027719744 /nfs/dbraw/zinc/71/97/44/1027719744.db2.gz JFLFVRDQWZQVMX-HNNXBMFYSA-N 2 1 348.849 3.839 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000582790287 1027730431 /nfs/dbraw/zinc/73/04/31/1027730431.db2.gz VTXCKIOFDAMHAQ-CGXNFDGLSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000582790287 1027730443 /nfs/dbraw/zinc/73/04/43/1027730443.db2.gz VTXCKIOFDAMHAQ-CGXNFDGLSA-N 2 1 330.516 3.863 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000655720845 1027781318 /nfs/dbraw/zinc/78/13/18/1027781318.db2.gz HKERWOANBWYWIT-INIZCTEOSA-N 2 1 346.906 3.654 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000655720845 1027781350 /nfs/dbraw/zinc/78/13/50/1027781350.db2.gz HKERWOANBWYWIT-INIZCTEOSA-N 2 1 346.906 3.654 20 0 EHADMP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420904643 1027850687 /nfs/dbraw/zinc/85/06/87/1027850687.db2.gz PSLULQIDVKXJTQ-UHFFFAOYSA-N 2 1 330.497 3.521 20 0 EHADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420904643 1027850705 /nfs/dbraw/zinc/85/07/05/1027850705.db2.gz PSLULQIDVKXJTQ-UHFFFAOYSA-N 2 1 330.497 3.521 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339067063 1027896328 /nfs/dbraw/zinc/89/63/28/1027896328.db2.gz IKZSNRWXRGFQPK-BVYCBKJFSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339067063 1027896351 /nfs/dbraw/zinc/89/63/51/1027896351.db2.gz IKZSNRWXRGFQPK-BVYCBKJFSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339067063 1027896371 /nfs/dbraw/zinc/89/63/71/1027896371.db2.gz IKZSNRWXRGFQPK-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339067063 1027896391 /nfs/dbraw/zinc/89/63/91/1027896391.db2.gz IKZSNRWXRGFQPK-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339067063 1027896412 /nfs/dbraw/zinc/89/64/12/1027896412.db2.gz IKZSNRWXRGFQPK-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339067063 1027896432 /nfs/dbraw/zinc/89/64/32/1027896432.db2.gz IKZSNRWXRGFQPK-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339067063 1027896453 /nfs/dbraw/zinc/89/64/53/1027896453.db2.gz IKZSNRWXRGFQPK-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1)C1CCCC1 ZINC000339068909 1027898530 /nfs/dbraw/zinc/89/85/30/1027898530.db2.gz RWGCXLQYVLKIHJ-ICSRJNTNSA-N 2 1 341.499 3.532 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1)C1CCCC1 ZINC000339068909 1027898558 /nfs/dbraw/zinc/89/85/58/1027898558.db2.gz RWGCXLQYVLKIHJ-ICSRJNTNSA-N 2 1 341.499 3.532 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414687975 1027919812 /nfs/dbraw/zinc/91/98/12/1027919812.db2.gz CJCDVLJWSLUIHR-MJGOQNOKSA-N 2 1 341.474 3.654 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000503593254 1027932088 /nfs/dbraw/zinc/93/20/88/1027932088.db2.gz VWPKJXXMZALKTP-FYZZASKESA-N 2 1 330.516 3.692 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422804361 1027957445 /nfs/dbraw/zinc/95/74/45/1027957445.db2.gz HMYPEMPSIJZWCI-MDYRTPRTSA-N 2 1 325.456 3.621 20 0 EHADMP N[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830628 1027975945 /nfs/dbraw/zinc/97/59/45/1027975945.db2.gz RFYRQXFSLLLVRM-WOJBJXKFSA-N 2 1 341.524 3.695 20 0 EHADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851447 1027987325 /nfs/dbraw/zinc/98/73/25/1027987325.db2.gz OXDGUWABOPHTLO-FUHWJXTLSA-N 2 1 329.513 3.535 20 0 EHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422856199 1027989904 /nfs/dbraw/zinc/98/99/04/1027989904.db2.gz DXGGYBOYKBTOPT-AEFFLSMTSA-N 2 1 343.858 3.711 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000421031377 1027991987 /nfs/dbraw/zinc/99/19/87/1027991987.db2.gz ZXFCHODGQDNQIA-NRFANRHFSA-N 2 1 343.559 3.671 20 0 EHADMP COc1cccc(C2(C[NH2+][C@@H](C)c3c[nH+]ccc3N)CCCC2)c1 ZINC000422882442 1028014993 /nfs/dbraw/zinc/01/49/93/1028014993.db2.gz AUCKLHXCPRSOOS-HNNXBMFYSA-N 2 1 325.456 3.665 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883943 1028017206 /nfs/dbraw/zinc/01/72/06/1028017206.db2.gz VZAKANHQFJPTCP-HAGHYFMRSA-N 2 1 345.531 3.625 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422882682 1028017659 /nfs/dbraw/zinc/01/76/59/1028017659.db2.gz PLLIWEPIJHMOCH-LBPRGKRZSA-N 2 1 348.288 3.885 20 0 EHADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422888882 1028022180 /nfs/dbraw/zinc/02/21/80/1028022180.db2.gz DVKHKBZUAKTFMS-QKLQHJQFSA-N 2 1 345.531 3.615 20 0 EHADMP CC[C@H]([NH2+]CCc1nc(-c2ccccc2)c(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422930534 1028060632 /nfs/dbraw/zinc/06/06/32/1028060632.db2.gz UTZOQGFJBZLDNL-IRXDYDNUSA-N 2 1 329.513 3.781 20 0 EHADMP Cn1cc(-c2cccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)cn1 ZINC000422968597 1028081874 /nfs/dbraw/zinc/08/18/74/1028081874.db2.gz XGJPEGUWOUYZIC-YADHBBJMSA-N 2 1 346.478 3.670 20 0 EHADMP C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422950166 1028089103 /nfs/dbraw/zinc/08/91/03/1028089103.db2.gz XFUXRVLJENUJBV-UGSOOPFHSA-N 2 1 345.284 3.736 20 0 EHADMP C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970220 1028102741 /nfs/dbraw/zinc/10/27/41/1028102741.db2.gz VWJIANNARRELOS-JTSKRJEESA-N 3 1 337.511 3.503 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423014821 1028127001 /nfs/dbraw/zinc/12/70/01/1028127001.db2.gz JLUIRAKCPUNICT-DWIQEWEKSA-N 2 1 342.527 3.588 20 0 EHADMP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423019698 1028131315 /nfs/dbraw/zinc/13/13/15/1028131315.db2.gz WUXHHRUYBBLJSF-XUWXXGDYSA-N 2 1 326.431 3.553 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423030107 1028138297 /nfs/dbraw/zinc/13/82/97/1028138297.db2.gz JAZQVTFXGCBQKW-LPHOPBHVSA-N 2 1 326.488 3.581 20 0 EHADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423078284 1028167210 /nfs/dbraw/zinc/16/72/10/1028167210.db2.gz OBDOOEZFOIVZOJ-YUMYIRISSA-N 2 1 336.479 3.847 20 0 EHADMP CCC[NH2+]CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414718688 1028185660 /nfs/dbraw/zinc/18/56/60/1028185660.db2.gz WMYCZCZTPMRABS-UHFFFAOYSA-N 2 1 346.519 3.572 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1C(C)(C)C ZINC000533639452 1028212663 /nfs/dbraw/zinc/21/26/63/1028212663.db2.gz FLBSHRUOCMEJHV-ROUUACIJSA-N 2 1 332.532 3.872 20 0 EHADMP FC(F)Oc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423209259 1028252860 /nfs/dbraw/zinc/25/28/60/1028252860.db2.gz IRURUFLNIOYUCC-BEFAXECRSA-N 2 1 346.421 3.967 20 0 EHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189529 1028258224 /nfs/dbraw/zinc/25/82/24/1028258224.db2.gz PPCZCUDQSGFQLE-FQEVSTJZSA-N 2 1 339.483 3.582 20 0 EHADMP Clc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193655 1028260644 /nfs/dbraw/zinc/26/06/44/1028260644.db2.gz XQWDLSBFLLZGBX-IBGZPJMESA-N 2 1 329.875 3.882 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423262859 1028302682 /nfs/dbraw/zinc/30/26/82/1028302682.db2.gz NNOMIKKRIPUZFM-QAPCUYQASA-N 2 1 334.508 3.584 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000423283443 1028321803 /nfs/dbraw/zinc/32/18/03/1028321803.db2.gz WEGXHMVYMRZPNT-CVEARBPZSA-N 2 1 348.288 3.635 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423272301 1028335039 /nfs/dbraw/zinc/33/50/39/1028335039.db2.gz JUOJAMLBBJYJKP-QVKFZJNVSA-N 2 1 337.442 3.908 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423272300 1028335587 /nfs/dbraw/zinc/33/55/87/1028335587.db2.gz JUOJAMLBBJYJKP-BTYIYWSLSA-N 2 1 337.442 3.908 20 0 EHADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423316183 1028347442 /nfs/dbraw/zinc/34/74/42/1028347442.db2.gz AQYPBSXNXLLMFH-PRHODGIISA-N 2 1 339.199 3.856 20 0 EHADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(CSC)CC2)cc1 ZINC000423345656 1028358931 /nfs/dbraw/zinc/35/89/31/1028358931.db2.gz YAOFWMNKPZQXFH-DGGFBBCUSA-N 2 1 348.556 3.652 20 0 EHADMP CC[C@H]([NH2+][C@H]1CNCC[C@@H]1c1ccc(OC)cc1)c1cccs1 ZINC000423332328 1028366278 /nfs/dbraw/zinc/36/62/78/1028366278.db2.gz NDWMTEARJDYCMY-SQNIBIBYSA-N 2 1 330.497 3.943 20 0 EHADMP CC1CC[NH+](CCC[C@@H]([NH2+]CC2([NH3+])CCC2)c2ccc(F)cc2)CC1 ZINC000423329226 1028367594 /nfs/dbraw/zinc/36/75/94/1028367594.db2.gz OGWMREOXDSRCFQ-HXUWFJFHSA-N 3 1 347.522 3.850 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CCC1 ZINC000423335081 1028370468 /nfs/dbraw/zinc/37/04/68/1028370468.db2.gz TYZCKCVKITYUQI-ZDUSSCGKSA-N 2 1 329.669 3.561 20 0 EHADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423349320 1028378385 /nfs/dbraw/zinc/37/83/85/1028378385.db2.gz VNZPISSQCKMSTR-OXJNMPFZSA-N 2 1 325.456 3.914 20 0 EHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423470957 1028457077 /nfs/dbraw/zinc/45/70/77/1028457077.db2.gz HCOJJHLONNJRGF-YMTOWFKASA-N 2 1 335.225 3.815 20 0 EHADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423528743 1028483917 /nfs/dbraw/zinc/48/39/17/1028483917.db2.gz WTTOQXIILFUAIR-BBRMVZONSA-N 2 1 331.287 3.803 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCC(C)C ZINC000414748641 1028488190 /nfs/dbraw/zinc/48/81/90/1028488190.db2.gz IVPGBHCXECWEFY-SFHVURJKSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@H]1C[C@@H](C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414751179 1028520013 /nfs/dbraw/zinc/52/00/13/1028520013.db2.gz SECKXWDAYBMRLN-ZFWWWQNUSA-N 2 1 345.314 3.566 20 0 EHADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001167647771 1028529130 /nfs/dbraw/zinc/52/91/30/1028529130.db2.gz OWZCLXRIOIPMCW-HKBOAZHASA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001167647771 1028529145 /nfs/dbraw/zinc/52/91/45/1028529145.db2.gz OWZCLXRIOIPMCW-HKBOAZHASA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001167647771 1028529154 /nfs/dbraw/zinc/52/91/54/1028529154.db2.gz OWZCLXRIOIPMCW-HKBOAZHASA-N 2 1 342.527 3.788 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000583033276 1028608822 /nfs/dbraw/zinc/60/88/22/1028608822.db2.gz BGCWIJACVKFWJL-VQTJNVASSA-N 2 1 330.516 3.539 20 0 EHADMP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168266027 1028689166 /nfs/dbraw/zinc/68/91/66/1028689166.db2.gz ZZWVVGCKTMRHKU-TYPHKJRUSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168266027 1028689177 /nfs/dbraw/zinc/68/91/77/1028689177.db2.gz ZZWVVGCKTMRHKU-TYPHKJRUSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168266027 1028689190 /nfs/dbraw/zinc/68/91/90/1028689190.db2.gz ZZWVVGCKTMRHKU-TYPHKJRUSA-N 2 1 328.500 3.713 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168266027 1028689201 /nfs/dbraw/zinc/68/92/01/1028689201.db2.gz ZZWVVGCKTMRHKU-TYPHKJRUSA-N 2 1 328.500 3.713 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000247003917 1028726253 /nfs/dbraw/zinc/72/62/53/1028726253.db2.gz KVLYDCGAFYQYPW-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c(F)c1 ZINC000421819479 1028806278 /nfs/dbraw/zinc/80/62/78/1028806278.db2.gz HIXPTGIBXUALEN-FQEVSTJZSA-N 2 1 332.463 3.749 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000421823244 1028809792 /nfs/dbraw/zinc/80/97/92/1028809792.db2.gz CMIYEGRHHMFNBA-IRXDYDNUSA-N 2 1 336.545 3.897 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000421823244 1028809810 /nfs/dbraw/zinc/80/98/10/1028809810.db2.gz CMIYEGRHHMFNBA-IRXDYDNUSA-N 2 1 336.545 3.897 20 0 EHADMP Cc1cc(F)c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(F)c1 ZINC000424126825 1028825332 /nfs/dbraw/zinc/82/53/32/1028825332.db2.gz BZWUHNKUNNMRFA-UHFFFAOYSA-N 2 1 334.410 3.503 20 0 EHADMP CC(C)n1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000424141983 1028832471 /nfs/dbraw/zinc/83/24/71/1028832471.db2.gz XYYIUOKYPWDEIN-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)C[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414779852 1028923173 /nfs/dbraw/zinc/92/31/73/1028923173.db2.gz KRYVHHCUMDHGII-UXHICEINSA-N 2 1 330.516 3.504 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3cccs3)n1)CC[NH2+]CC2 ZINC000424287535 1028929000 /nfs/dbraw/zinc/92/90/00/1028929000.db2.gz IYMNFOXTHPLCLB-CYBMUJFWSA-N 2 1 333.526 3.836 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000248744405 1028945535 /nfs/dbraw/zinc/94/55/35/1028945535.db2.gz ATOLXFRBLVOGOF-LWYYNNOASA-N 2 1 328.500 3.729 20 0 EHADMP CC1(C)[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]2CCO[C@H]21 ZINC000245656313 1028980568 /nfs/dbraw/zinc/98/05/68/1028980568.db2.gz DPSVQSWFHQGBSI-KXXIFBCNSA-N 2 1 340.511 3.585 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1cc(C)ccc1C ZINC000424382097 1029040711 /nfs/dbraw/zinc/04/07/11/1029040711.db2.gz ZSEBUZJSEYYYQO-KFKAGJAMSA-N 2 1 326.488 3.718 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC[C@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502192 1029112222 /nfs/dbraw/zinc/11/22/22/1029112222.db2.gz BIAOWOOLGLMTDP-PCCBWWKXSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC[C@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502192 1029112226 /nfs/dbraw/zinc/11/22/26/1029112226.db2.gz BIAOWOOLGLMTDP-PCCBWWKXSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@@H]1O ZINC000245715290 1029119445 /nfs/dbraw/zinc/11/94/45/1029119445.db2.gz NYNZXPZNPWWMNY-LILSUDLASA-N 2 1 342.527 3.713 20 0 EHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000271848701 1029197911 /nfs/dbraw/zinc/19/79/11/1029197911.db2.gz IIPHCUPDTZVMJQ-ZDUSSCGKSA-N 2 1 326.456 3.956 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000271876819 1029213734 /nfs/dbraw/zinc/21/37/34/1029213734.db2.gz OGTUMRDFGFBETM-DYXWJJEUSA-N 2 1 344.543 3.675 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245740066 1029220369 /nfs/dbraw/zinc/22/03/69/1029220369.db2.gz RKWNKEUYFUGLTI-AYWYSENESA-N 2 1 330.516 3.570 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272430910 1029457520 /nfs/dbraw/zinc/45/75/20/1029457520.db2.gz QPLDUMTWTLTTKU-DKUWSORSSA-N 2 1 335.495 3.718 20 0 EHADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272446050 1029461768 /nfs/dbraw/zinc/46/17/68/1029461768.db2.gz UXORSNKOQBXTBN-YMQHIKHWSA-N 2 1 328.500 3.729 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000278170814 1029472930 /nfs/dbraw/zinc/47/29/30/1029472930.db2.gz CIOOMXAPMBJILY-OAHLLOKOSA-N 2 1 344.455 3.759 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479742 1029477161 /nfs/dbraw/zinc/47/71/61/1029477161.db2.gz MCKGEHPOJZNKSI-KAGYGMCKSA-N 2 1 338.495 3.529 20 0 EHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501144 1029487048 /nfs/dbraw/zinc/48/70/48/1029487048.db2.gz LKCXNRPDWBZKQG-VXKWHMMOSA-N 2 1 348.490 3.724 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccc(F)cc2)cc1 ZINC000262041166 1029556075 /nfs/dbraw/zinc/55/60/75/1029556075.db2.gz PEOSQJGVHNZUDS-NRFANRHFSA-N 2 1 342.433 3.782 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272696351 1029572013 /nfs/dbraw/zinc/57/20/13/1029572013.db2.gz XEFDYBGRDVUKGJ-SESVDKBCSA-N 2 1 332.532 3.531 20 0 EHADMP CC(C)Cn1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272731867 1029584135 /nfs/dbraw/zinc/58/41/35/1029584135.db2.gz AMVBXCFBSXLYTN-NQIIRXRSSA-N 2 1 340.515 3.539 20 0 EHADMP c1cc(-c2ccccc2)sc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750236 1029618294 /nfs/dbraw/zinc/61/82/94/1029618294.db2.gz FCEGFFCLZOTMST-GOSISDBHSA-N 2 1 342.508 3.758 20 0 EHADMP C[C@@H]([NH2+]CCCc1ccc(O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709529 1029771268 /nfs/dbraw/zinc/77/12/68/1029771268.db2.gz HQHYEIFKMPWZIF-WIYYLYMNSA-N 2 1 338.495 3.825 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823861 1029809227 /nfs/dbraw/zinc/80/92/27/1029809227.db2.gz QLKNDJSJGBVNBN-APWZRJJASA-N 2 1 336.545 3.755 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823861 1029809232 /nfs/dbraw/zinc/80/92/32/1029809232.db2.gz QLKNDJSJGBVNBN-APWZRJJASA-N 2 1 336.545 3.755 20 0 EHADMP COC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C)o1 ZINC000156417034 1029840275 /nfs/dbraw/zinc/84/02/75/1029840275.db2.gz LTGINQRJIUJJOR-QFBILLFUSA-N 2 1 346.471 3.567 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C)o1 ZINC000156417159 1029840341 /nfs/dbraw/zinc/84/03/41/1029840341.db2.gz LTGINQRJIUJJOR-LPHOPBHVSA-N 2 1 346.471 3.567 20 0 EHADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224331 1029939205 /nfs/dbraw/zinc/93/92/05/1029939205.db2.gz SFSUOWPSJBEDKG-UGKGYDQZSA-N 2 1 337.511 3.905 20 0 EHADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000531940327 1030106631 /nfs/dbraw/zinc/10/66/31/1030106631.db2.gz YPKHTAMUQXPUIQ-UHFFFAOYSA-N 2 1 330.447 3.566 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000226420130 1030107720 /nfs/dbraw/zinc/10/77/20/1030107720.db2.gz NBLYHRWFYLJAEP-JTQLQIEISA-N 2 1 331.685 3.662 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c2nccn21 ZINC000453333708 1030111023 /nfs/dbraw/zinc/11/10/23/1030111023.db2.gz BWBKAJUOETVFIH-ACAXCVFMSA-N 2 1 338.499 3.922 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000090407987 1030113143 /nfs/dbraw/zinc/11/31/43/1030113143.db2.gz HCVLLGSQKHYQIJ-CRAIPNDOSA-N 2 1 329.513 3.667 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000090407987 1030113153 /nfs/dbraw/zinc/11/31/53/1030113153.db2.gz HCVLLGSQKHYQIJ-CRAIPNDOSA-N 2 1 329.513 3.667 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000481920944 1030121193 /nfs/dbraw/zinc/12/11/93/1030121193.db2.gz WGMCGJVUVNRFKC-KBRIMQKVSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000481920944 1030121204 /nfs/dbraw/zinc/12/12/04/1030121204.db2.gz WGMCGJVUVNRFKC-KBRIMQKVSA-N 2 1 326.406 3.853 20 0 EHADMP Cc1ncsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771998 1030189988 /nfs/dbraw/zinc/18/99/88/1030189988.db2.gz IMJXLETVFZIWGO-SFHVURJKSA-N 2 1 341.524 3.843 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F)C1CC1 ZINC000453403735 1030210548 /nfs/dbraw/zinc/21/05/48/1030210548.db2.gz OPUNWMVKDAOIIG-HXUWFJFHSA-N 2 1 345.437 3.913 20 0 EHADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1cccc(Cl)c1 ZINC000650723766 1030215229 /nfs/dbraw/zinc/21/52/29/1030215229.db2.gz TVTKGTHQVROTGN-AXUOBQJMSA-N 2 1 336.907 3.804 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650724178 1030218664 /nfs/dbraw/zinc/21/86/64/1030218664.db2.gz ZLQJOTYAYGWSIU-TYPHKJRUSA-N 2 1 346.515 3.582 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000482119142 1030221622 /nfs/dbraw/zinc/22/16/22/1030221622.db2.gz HZHZKMXSQVKKCD-NWDGAFQWSA-N 2 1 342.270 3.944 20 0 EHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000482153713 1030231045 /nfs/dbraw/zinc/23/10/45/1030231045.db2.gz DRJHXQZKKGSNMZ-ACRUOGEOSA-N 2 1 335.580 3.717 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000447514030 1030259227 /nfs/dbraw/zinc/25/92/27/1030259227.db2.gz ANHVXSPEBZKNGV-MRXNPFEDSA-N 2 1 348.487 3.608 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657774218 1030260488 /nfs/dbraw/zinc/26/04/88/1030260488.db2.gz XRMGFRDJMGSVNW-PCCBWWKXSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)O1 ZINC000657773922 1030268204 /nfs/dbraw/zinc/26/82/04/1030268204.db2.gz WELVNRVTCAHBCG-KOUHRCEDSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598346 1030336381 /nfs/dbraw/zinc/33/63/81/1030336381.db2.gz HSOXCXORRROGFV-MXASKKJJSA-N 2 1 326.406 3.970 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000447579472 1030344564 /nfs/dbraw/zinc/34/45/64/1030344564.db2.gz KUMGIRLPTBHOAM-BZUAXINKSA-N 2 1 348.487 3.605 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000447600872 1030354712 /nfs/dbraw/zinc/35/47/12/1030354712.db2.gz NIPIYKUKJKROGL-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447600872 1030354718 /nfs/dbraw/zinc/35/47/18/1030354718.db2.gz NIPIYKUKJKROGL-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447600872 1030354728 /nfs/dbraw/zinc/35/47/28/1030354728.db2.gz NIPIYKUKJKROGL-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447600872 1030354740 /nfs/dbraw/zinc/35/47/40/1030354740.db2.gz NIPIYKUKJKROGL-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447600872 1030354751 /nfs/dbraw/zinc/35/47/51/1030354751.db2.gz NIPIYKUKJKROGL-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043449 1030364492 /nfs/dbraw/zinc/36/44/92/1030364492.db2.gz RWEOXLCJNQSQOA-ZFWWWQNUSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043449 1030364510 /nfs/dbraw/zinc/36/45/10/1030364510.db2.gz RWEOXLCJNQSQOA-ZFWWWQNUSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043449 1030364527 /nfs/dbraw/zinc/36/45/27/1030364527.db2.gz RWEOXLCJNQSQOA-ZFWWWQNUSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043449 1030364543 /nfs/dbraw/zinc/36/45/43/1030364543.db2.gz RWEOXLCJNQSQOA-ZFWWWQNUSA-N 2 1 333.526 3.788 20 0 EHADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000092066528 1030370830 /nfs/dbraw/zinc/37/08/30/1030370830.db2.gz WNBHYXLOOFVDJX-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000092066528 1030370846 /nfs/dbraw/zinc/37/08/46/1030370846.db2.gz WNBHYXLOOFVDJX-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000092066528 1030370864 /nfs/dbraw/zinc/37/08/64/1030370864.db2.gz WNBHYXLOOFVDJX-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000092066528 1030370879 /nfs/dbraw/zinc/37/08/79/1030370879.db2.gz WNBHYXLOOFVDJX-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)ccc1F)C1CC1 ZINC000453607964 1030395911 /nfs/dbraw/zinc/39/59/11/1030395911.db2.gz XZUGHQMQDQJKMV-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532198377 1030474045 /nfs/dbraw/zinc/47/40/45/1030474045.db2.gz YDWUCZIYTRERNG-MRXNPFEDSA-N 2 1 343.515 3.877 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)s2)C1 ZINC000151104847 1030475590 /nfs/dbraw/zinc/47/55/90/1030475590.db2.gz IFGGBEOJOAGZJU-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000381461296 1030588087 /nfs/dbraw/zinc/58/80/87/1030588087.db2.gz VWYKCWPBFPJCMG-NHCUHLMSSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000381461296 1030588100 /nfs/dbraw/zinc/58/81/00/1030588100.db2.gz VWYKCWPBFPJCMG-NHCUHLMSSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000381461296 1030588121 /nfs/dbraw/zinc/58/81/21/1030588121.db2.gz VWYKCWPBFPJCMG-NHCUHLMSSA-N 2 1 336.479 3.649 20 0 EHADMP C[C@@H](Cc1ccsc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000527240604 1030731482 /nfs/dbraw/zinc/73/14/82/1030731482.db2.gz JOPVPNYGYWHXNE-FFZOFVMBSA-N 2 1 326.509 3.743 20 0 EHADMP C[C@@H](Cc1ccsc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000527240604 1030731500 /nfs/dbraw/zinc/73/15/00/1030731500.db2.gz JOPVPNYGYWHXNE-FFZOFVMBSA-N 2 1 326.509 3.743 20 0 EHADMP C[C@@H](Cc1ccsc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000527240604 1030731520 /nfs/dbraw/zinc/73/15/20/1030731520.db2.gz JOPVPNYGYWHXNE-FFZOFVMBSA-N 2 1 326.509 3.743 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1sccc1Br ZINC000650753919 1030732897 /nfs/dbraw/zinc/73/28/97/1030732897.db2.gz YIWVCFRUGLCWGG-SECBINFHSA-N 2 1 343.265 3.959 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000537648077 1030787839 /nfs/dbraw/zinc/78/78/39/1030787839.db2.gz QYYUJZJOASEJQC-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000537648077 1030787855 /nfs/dbraw/zinc/78/78/55/1030787855.db2.gz QYYUJZJOASEJQC-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000537648077 1030787869 /nfs/dbraw/zinc/78/78/69/1030787869.db2.gz QYYUJZJOASEJQC-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000482880444 1030789459 /nfs/dbraw/zinc/78/94/59/1030789459.db2.gz AIKNOQWTCWUWGR-QFBILLFUSA-N 2 1 340.467 3.917 20 0 EHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000550961994 1030840510 /nfs/dbraw/zinc/84/05/10/1030840510.db2.gz OAJYWDQCHZGBPI-SJORKVTESA-N 2 1 326.488 3.516 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000123044321 1030876777 /nfs/dbraw/zinc/87/67/77/1030876777.db2.gz UCVWJOUXBVYQDU-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000123044321 1030876801 /nfs/dbraw/zinc/87/68/01/1030876801.db2.gz UCVWJOUXBVYQDU-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044321 1030876811 /nfs/dbraw/zinc/87/68/11/1030876811.db2.gz UCVWJOUXBVYQDU-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044321 1030876830 /nfs/dbraw/zinc/87/68/30/1030876830.db2.gz UCVWJOUXBVYQDU-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006241 1030902515 /nfs/dbraw/zinc/90/25/15/1030902515.db2.gz UBHSLZRZFPQXMZ-HLAWJBBLSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006241 1030902528 /nfs/dbraw/zinc/90/25/28/1030902528.db2.gz UBHSLZRZFPQXMZ-HLAWJBBLSA-N 3 1 329.532 3.534 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457214 1030938860 /nfs/dbraw/zinc/93/88/60/1030938860.db2.gz MFDSYRJABNTQES-COPCDDAFSA-N 2 1 338.495 3.529 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCSCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551084092 1031026352 /nfs/dbraw/zinc/02/63/52/1031026352.db2.gz SBCYSJGDUNDFNP-HUUCEWRRSA-N 2 1 332.435 3.707 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCSCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551084092 1031026365 /nfs/dbraw/zinc/02/63/65/1031026365.db2.gz SBCYSJGDUNDFNP-HUUCEWRRSA-N 2 1 332.435 3.707 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000343484173 1031068233 /nfs/dbraw/zinc/06/82/33/1031068233.db2.gz YAWVDHWIKSCURM-VGSWGCGISA-N 2 1 336.479 3.857 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527644964 1031072780 /nfs/dbraw/zinc/07/27/80/1031072780.db2.gz LHCDDDXJVFWDBZ-PMACEKPBSA-N 2 1 330.516 3.539 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(Br)c(F)c2F)[C@@H](C)C1 ZINC000527665602 1031092198 /nfs/dbraw/zinc/09/21/98/1031092198.db2.gz GRYJCGCPZGPYIM-GWCFXTLKSA-N 2 1 347.247 3.547 20 0 EHADMP COc1cncc(/C=C/CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000583931813 1031157757 /nfs/dbraw/zinc/15/77/57/1031157757.db2.gz GYKYIHFTIBYDPG-GHAAFOEMSA-N 2 1 343.515 3.736 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)ccn2)c1C ZINC000483846654 1031362156 /nfs/dbraw/zinc/36/21/56/1031362156.db2.gz CRTNVNPZBZVXRO-APWZRJJASA-N 2 1 339.483 3.921 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)ccn2)c1C ZINC000483846654 1031362175 /nfs/dbraw/zinc/36/21/75/1031362175.db2.gz CRTNVNPZBZVXRO-APWZRJJASA-N 2 1 339.483 3.921 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976255 1031412787 /nfs/dbraw/zinc/41/27/87/1031412787.db2.gz ONSGDEJNGMNYEA-UONOGXRCSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976255 1031412797 /nfs/dbraw/zinc/41/27/97/1031412797.db2.gz ONSGDEJNGMNYEA-UONOGXRCSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976255 1031412808 /nfs/dbraw/zinc/41/28/08/1031412808.db2.gz ONSGDEJNGMNYEA-UONOGXRCSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976255 1031412820 /nfs/dbraw/zinc/41/28/20/1031412820.db2.gz ONSGDEJNGMNYEA-UONOGXRCSA-N 2 1 328.859 3.663 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527925839 1031417208 /nfs/dbraw/zinc/41/72/08/1031417208.db2.gz JNQQDSFWKRQJBC-QNGMFEMESA-N 2 1 330.516 3.836 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995686 1031432366 /nfs/dbraw/zinc/43/23/66/1031432366.db2.gz WJHHICHCPASEKG-IBGZPJMESA-N 2 1 337.467 3.522 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127862 1031461706 /nfs/dbraw/zinc/46/17/06/1031461706.db2.gz KVLXXPRBKXANET-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127862 1031461718 /nfs/dbraw/zinc/46/17/18/1031461718.db2.gz KVLXXPRBKXANET-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cc(F)c(Br)cc1F ZINC000527982269 1031520107 /nfs/dbraw/zinc/52/01/07/1031520107.db2.gz RYVMFQWFEBBUNY-HFBDOXOYSA-N 2 1 347.247 3.546 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1OC(F)F ZINC000484467690 1031581497 /nfs/dbraw/zinc/58/14/97/1031581497.db2.gz AVFQUDKYWQBLCS-IACUBPJLSA-N 2 1 330.394 3.951 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000178040217 1031611390 /nfs/dbraw/zinc/61/13/90/1031611390.db2.gz CREUDSBTHGVDHZ-SCTDSRPQSA-N 2 1 334.504 3.625 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCC3)CC2)C1 ZINC000528015430 1031632271 /nfs/dbraw/zinc/63/22/71/1031632271.db2.gz XKQNGDIZNBJKSX-DUXKGJEZSA-N 2 1 333.564 3.636 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000551795702 1031676505 /nfs/dbraw/zinc/67/65/05/1031676505.db2.gz QHCSEEFCTHTTTB-CABCVRRESA-N 2 1 339.911 3.906 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000178701817 1031717844 /nfs/dbraw/zinc/71/78/44/1031717844.db2.gz CXTCHENNIQCNTC-KUHUBIRLSA-N 2 1 327.472 3.948 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109883 1031740953 /nfs/dbraw/zinc/74/09/53/1031740953.db2.gz ITSLSQZFJHUPOB-VQTJNVASSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109883 1031740968 /nfs/dbraw/zinc/74/09/68/1031740968.db2.gz ITSLSQZFJHUPOB-VQTJNVASSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109883 1031740979 /nfs/dbraw/zinc/74/09/79/1031740979.db2.gz ITSLSQZFJHUPOB-VQTJNVASSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109883 1031740992 /nfs/dbraw/zinc/74/09/92/1031740992.db2.gz ITSLSQZFJHUPOB-VQTJNVASSA-N 2 1 329.532 3.827 20 0 EHADMP CCCn1cc(CN(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000180100237 1031839665 /nfs/dbraw/zinc/83/96/65/1031839665.db2.gz WBCCPOWOHBQODT-FQEVSTJZSA-N 2 1 340.515 3.637 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412292 1033298452 /nfs/dbraw/zinc/29/84/52/1033298452.db2.gz DCIVJNYXTNWIBD-IAGOWNOFSA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412292 1033298430 /nfs/dbraw/zinc/29/84/30/1033298430.db2.gz DCIVJNYXTNWIBD-IAGOWNOFSA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412292 1033298441 /nfs/dbraw/zinc/29/84/41/1033298441.db2.gz DCIVJNYXTNWIBD-IAGOWNOFSA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)c3ccccn3)C2)s1 ZINC000685412292 1033298446 /nfs/dbraw/zinc/29/84/46/1033298446.db2.gz DCIVJNYXTNWIBD-IAGOWNOFSA-N 2 1 329.513 3.966 20 0 EHADMP C[C@H](CC1CCCCC1)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457491 1033347105 /nfs/dbraw/zinc/34/71/05/1033347105.db2.gz ZZLYFRBJENCCIN-WIYYLYMNSA-N 2 1 335.580 3.693 20 0 EHADMP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131145632 1033539188 /nfs/dbraw/zinc/53/91/88/1033539188.db2.gz VZRUEHZFOFZBLL-KRWDZBQOSA-N 2 1 328.456 3.947 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168414061 1033566002 /nfs/dbraw/zinc/56/60/02/1033566002.db2.gz BYMISBOARUQTLT-IIBYNOLFSA-N 2 1 326.459 3.780 20 0 EHADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000608577946 1033770791 /nfs/dbraw/zinc/77/07/91/1033770791.db2.gz DYIOIFQBNTXQDW-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP CC[C@@H]1C[N@H+](CCCCC[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000608577946 1033770806 /nfs/dbraw/zinc/77/08/06/1033770806.db2.gz DYIOIFQBNTXQDW-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP CC[C@@H]1C[N@@H+](CCCCC[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000608577946 1033770825 /nfs/dbraw/zinc/77/08/25/1033770825.db2.gz DYIOIFQBNTXQDW-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091708 1033920391 /nfs/dbraw/zinc/92/03/91/1033920391.db2.gz NKJKWOWJVUNDLX-DUXKGJEZSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C)c1 ZINC000658134719 1033970746 /nfs/dbraw/zinc/97/07/46/1033970746.db2.gz BGMFAEXPCFSTKM-VXKWHMMOSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)s1 ZINC000658141187 1033988302 /nfs/dbraw/zinc/98/83/02/1033988302.db2.gz ROIIHNOLXQTNQN-HNAYVOBHSA-N 2 1 344.524 3.782 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H](C)c1ccccc1 ZINC000658143648 1033990577 /nfs/dbraw/zinc/99/05/77/1033990577.db2.gz ZQSKHIKFHLMDAS-KGVIQGDOSA-N 2 1 338.495 3.535 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658236626 1034105328 /nfs/dbraw/zinc/10/53/28/1034105328.db2.gz KCOPZFHPWHSBGE-DKZVUGQWSA-N 2 1 336.479 3.880 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CC(F)(F)C3)CC2)oc1C ZINC000529539192 1034139051 /nfs/dbraw/zinc/13/90/51/1034139051.db2.gz UKYXXEGPPPRBPT-ZDUSSCGKSA-N 2 1 341.446 3.527 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCOC1 ZINC000658319655 1034197288 /nfs/dbraw/zinc/19/72/88/1034197288.db2.gz GPIVEJRDVAJGOB-SESVDKBCSA-N 2 1 342.527 3.693 20 0 EHADMP CSc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000340274539 1034473173 /nfs/dbraw/zinc/47/31/73/1034473173.db2.gz QNWHIKRYZIQRNF-QZTJIDSGSA-N 2 1 327.497 3.729 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)CC1 ZINC000597002981 1034489687 /nfs/dbraw/zinc/48/96/87/1034489687.db2.gz KGZBATBPQOSNTP-QFIPXVFZSA-N 2 1 341.543 3.556 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@@H]1c1ccccc1 ZINC000340393084 1034498130 /nfs/dbraw/zinc/49/81/30/1034498130.db2.gz JANRUPFHGYBUDP-WOJBJXKFSA-N 2 1 335.495 3.928 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@@H]1c1ccccc1 ZINC000340393084 1034498146 /nfs/dbraw/zinc/49/81/46/1034498146.db2.gz JANRUPFHGYBUDP-WOJBJXKFSA-N 2 1 335.495 3.928 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450758619 1034780208 /nfs/dbraw/zinc/78/02/08/1034780208.db2.gz NRQCJCYQMSPEEI-ULQDDVLXSA-N 2 1 332.479 3.539 20 0 EHADMP CCN1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000450797908 1034794320 /nfs/dbraw/zinc/79/43/20/1034794320.db2.gz YBTNUPWFMNMESX-AZUAARDMSA-N 2 1 330.520 3.625 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000308355123 1034805752 /nfs/dbraw/zinc/80/57/52/1034805752.db2.gz YIIWYQSZVJXHBQ-KKURMSBHSA-N 2 1 340.511 3.729 20 0 EHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278796696 1034938417 /nfs/dbraw/zinc/93/84/17/1034938417.db2.gz FMOYOGUIXXAEQZ-UHFFFAOYSA-N 2 1 337.467 3.672 20 0 EHADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)n2c1CCCC2 ZINC000548937104 1035040600 /nfs/dbraw/zinc/04/06/00/1035040600.db2.gz VGLXFOPLQHVRHT-LJQANCHMSA-N 2 1 343.515 3.891 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647485766 1035059806 /nfs/dbraw/zinc/05/98/06/1035059806.db2.gz VKOWTVDWNIHURR-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647485766 1035059814 /nfs/dbraw/zinc/05/98/14/1035059814.db2.gz VKOWTVDWNIHURR-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000376079527 1035227860 /nfs/dbraw/zinc/22/78/60/1035227860.db2.gz HKMFCIJCHJTCAT-PMACEKPBSA-N 2 1 340.515 3.688 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000289420745 1035333427 /nfs/dbraw/zinc/33/34/27/1035333427.db2.gz JADGSHKTNHNDQI-STZQEDGTSA-N 2 1 338.495 3.753 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000289420745 1035333431 /nfs/dbraw/zinc/33/34/31/1035333431.db2.gz JADGSHKTNHNDQI-STZQEDGTSA-N 2 1 338.495 3.753 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(C)C ZINC000892517217 1035373901 /nfs/dbraw/zinc/37/39/01/1035373901.db2.gz DQUBGZWSTVDAGP-MIGBEJBISA-N 2 1 332.488 3.758 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142955 1035452897 /nfs/dbraw/zinc/45/28/97/1035452897.db2.gz IUXJJGRDDPYTOW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142955 1035452900 /nfs/dbraw/zinc/45/29/00/1035452900.db2.gz IUXJJGRDDPYTOW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142955 1035452902 /nfs/dbraw/zinc/45/29/02/1035452902.db2.gz IUXJJGRDDPYTOW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142955 1035452903 /nfs/dbraw/zinc/45/29/03/1035452903.db2.gz IUXJJGRDDPYTOW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142955 1035452906 /nfs/dbraw/zinc/45/29/06/1035452906.db2.gz IUXJJGRDDPYTOW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000177968347 1035473950 /nfs/dbraw/zinc/47/39/50/1035473950.db2.gz PNWPDYBLVRRLAK-MRXNPFEDSA-N 2 1 334.533 3.547 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000177968347 1035473951 /nfs/dbraw/zinc/47/39/51/1035473951.db2.gz PNWPDYBLVRRLAK-MRXNPFEDSA-N 2 1 334.533 3.547 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)[C@@H]3C[C@H]3C)CC2)cs1 ZINC000414113060 1035572249 /nfs/dbraw/zinc/57/22/49/1035572249.db2.gz KAVKDKOUCLUNAW-ZTFGCOKTSA-N 2 1 335.561 3.942 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414113197 1035574360 /nfs/dbraw/zinc/57/43/60/1035574360.db2.gz KKYFFNGPWHPNLK-AEFFLSMTSA-N 2 1 336.907 3.677 20 0 EHADMP CCC(CC)(CNCc1c[nH+]c(C)n1C)[NH2+][C@@H](C)c1ccccc1 ZINC000571702536 1035598250 /nfs/dbraw/zinc/59/82/50/1035598250.db2.gz MGYPLVLAXRXGSA-INIZCTEOSA-N 2 1 328.504 3.728 20 0 EHADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccc(Br)n1 ZINC000924573503 1035636745 /nfs/dbraw/zinc/63/67/45/1035636745.db2.gz PWQCMAGUEKPBCX-ZIAGYGMSSA-N 2 1 340.309 3.759 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)[nH+]c1 ZINC000414129818 1035662509 /nfs/dbraw/zinc/66/25/09/1035662509.db2.gz VLSSNLTVKVJTIX-ZWKOTPCHSA-N 2 1 345.531 3.931 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164665105 1035730572 /nfs/dbraw/zinc/73/05/72/1035730572.db2.gz CPBYKLYKOLZNDO-WBVHZDCISA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164665105 1035730583 /nfs/dbraw/zinc/73/05/83/1035730583.db2.gz CPBYKLYKOLZNDO-WBVHZDCISA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164665105 1035730602 /nfs/dbraw/zinc/73/06/02/1035730602.db2.gz CPBYKLYKOLZNDO-WBVHZDCISA-N 2 1 327.497 3.744 20 0 EHADMP COc1ccc(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000173974841 1035740626 /nfs/dbraw/zinc/74/06/26/1035740626.db2.gz XDKSOQGPHWUVQO-NRFANRHFSA-N 2 1 338.495 3.692 20 0 EHADMP COc1ccc(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173974841 1035740645 /nfs/dbraw/zinc/74/06/45/1035740645.db2.gz XDKSOQGPHWUVQO-NRFANRHFSA-N 2 1 338.495 3.692 20 0 EHADMP COc1ccc(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173974841 1035740657 /nfs/dbraw/zinc/74/06/57/1035740657.db2.gz XDKSOQGPHWUVQO-NRFANRHFSA-N 2 1 338.495 3.692 20 0 EHADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282421811 1035783133 /nfs/dbraw/zinc/78/31/33/1035783133.db2.gz GSMMTTMCHRCJDB-IBGZPJMESA-N 2 1 343.540 3.884 20 0 EHADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282421811 1035783151 /nfs/dbraw/zinc/78/31/51/1035783151.db2.gz GSMMTTMCHRCJDB-IBGZPJMESA-N 2 1 343.540 3.884 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000414169206 1035866588 /nfs/dbraw/zinc/86/65/88/1035866588.db2.gz AUNHRKCNJKMHIH-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000414176746 1035907674 /nfs/dbraw/zinc/90/76/74/1035907674.db2.gz ICDCBOMESACSFO-HMXCVIKNSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000414176746 1035907691 /nfs/dbraw/zinc/90/76/91/1035907691.db2.gz ICDCBOMESACSFO-HMXCVIKNSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1ncc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)o1 ZINC000414194981 1035986974 /nfs/dbraw/zinc/98/69/74/1035986974.db2.gz XDONCKQPCSFWBG-VAMGGRTRSA-N 2 1 325.456 3.516 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000535232550 1036190873 /nfs/dbraw/zinc/19/08/73/1036190873.db2.gz GROJHWYHJKPRPT-KRWDZBQOSA-N 2 1 349.588 3.723 20 0 EHADMP CCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC(F)F ZINC000170793878 1036244795 /nfs/dbraw/zinc/24/47/95/1036244795.db2.gz NWTHLQRSOGSPRK-UHFFFAOYSA-N 2 1 342.430 3.604 20 0 EHADMP CCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC(F)F ZINC000170793878 1036244818 /nfs/dbraw/zinc/24/48/18/1036244818.db2.gz NWTHLQRSOGSPRK-UHFFFAOYSA-N 2 1 342.430 3.604 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)[C@@H](C)O1 ZINC000414249395 1036274312 /nfs/dbraw/zinc/27/43/12/1036274312.db2.gz FGTGWCOSHSJDQO-FLCGDVNSSA-N 2 1 342.527 3.833 20 0 EHADMP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000190889583 1036289101 /nfs/dbraw/zinc/28/91/01/1036289101.db2.gz GVNJXTWINBJTST-UHFFFAOYSA-N 2 1 340.515 3.668 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)o1 ZINC000190772246 1036292795 /nfs/dbraw/zinc/29/27/95/1036292795.db2.gz YQJXOUSTJRTMNU-ZDUSSCGKSA-N 2 1 329.282 3.786 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000191022837 1036327322 /nfs/dbraw/zinc/32/73/22/1036327322.db2.gz CNKRPSIGURGIQZ-UHFFFAOYSA-N 2 1 339.483 3.756 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@H](C)O1 ZINC000414272789 1036397114 /nfs/dbraw/zinc/39/71/14/1036397114.db2.gz YLWCYKASHAXSLM-WOLZGOLVSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)CC3 ZINC000572743125 1036477873 /nfs/dbraw/zinc/47/78/73/1036477873.db2.gz KDAXBDLWLHWHFZ-ZXJYCPGTSA-N 2 1 337.511 3.796 20 0 EHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC1CCCC1 ZINC000192817886 1036556090 /nfs/dbraw/zinc/55/60/90/1036556090.db2.gz AFXZIHDEQBRPQP-AYHJJNSGSA-N 2 1 344.499 3.731 20 0 EHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC1CCCC1 ZINC000192817886 1036556097 /nfs/dbraw/zinc/55/60/97/1036556097.db2.gz AFXZIHDEQBRPQP-AYHJJNSGSA-N 2 1 344.499 3.731 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000310269934 1036798347 /nfs/dbraw/zinc/79/83/47/1036798347.db2.gz NCOIEAFSYOUODN-HKBOAZHASA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344634 1036802053 /nfs/dbraw/zinc/80/20/53/1036802053.db2.gz ZNFXEIWJRDFUHO-RXVVDRJESA-N 2 1 337.511 3.859 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@H]3CCN4CCCC[C@H]34)cc2)cc1 ZINC000310367152 1036819998 /nfs/dbraw/zinc/81/99/98/1036819998.db2.gz FYERMMKNXXDDSO-FCHUYYIVSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC000310367152 1036820006 /nfs/dbraw/zinc/82/00/06/1036820006.db2.gz FYERMMKNXXDDSO-FCHUYYIVSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC000310367152 1036820021 /nfs/dbraw/zinc/82/00/21/1036820021.db2.gz FYERMMKNXXDDSO-FCHUYYIVSA-N 2 1 336.479 3.982 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000539512938 1036836178 /nfs/dbraw/zinc/83/61/78/1036836178.db2.gz WQWVCLQEBFJBAO-FUHWJXTLSA-N 2 1 334.504 3.692 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000539512938 1036836198 /nfs/dbraw/zinc/83/61/98/1036836198.db2.gz WQWVCLQEBFJBAO-FUHWJXTLSA-N 2 1 334.504 3.692 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000539512941 1036837976 /nfs/dbraw/zinc/83/79/76/1036837976.db2.gz WQWVCLQEBFJBAO-WMZOPIPTSA-N 2 1 334.504 3.692 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000539512941 1036837995 /nfs/dbraw/zinc/83/79/95/1036837995.db2.gz WQWVCLQEBFJBAO-WMZOPIPTSA-N 2 1 334.504 3.692 20 0 EHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539544523 1036896807 /nfs/dbraw/zinc/89/68/07/1036896807.db2.gz HNKBBWPRNKHGQX-INIZCTEOSA-N 2 1 333.495 3.660 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccnn1-c1ccccc1 ZINC000467314149 1037149263 /nfs/dbraw/zinc/14/92/63/1037149263.db2.gz SUKUXPDPRCMCDP-ROUUACIJSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccnn1-c1ccccc1 ZINC000467314149 1037149272 /nfs/dbraw/zinc/14/92/72/1037149272.db2.gz SUKUXPDPRCMCDP-ROUUACIJSA-N 2 1 326.488 3.787 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000573037295 1037166558 /nfs/dbraw/zinc/16/65/58/1037166558.db2.gz OWLUPQPLIDOWOE-UHFFFAOYSA-N 2 1 329.282 3.594 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000573037295 1037166565 /nfs/dbraw/zinc/16/65/65/1037166565.db2.gz OWLUPQPLIDOWOE-UHFFFAOYSA-N 2 1 329.282 3.594 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838566 1037245690 /nfs/dbraw/zinc/24/56/90/1037245690.db2.gz XDKOJONHRVNXJB-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838566 1037245708 /nfs/dbraw/zinc/24/57/08/1037245708.db2.gz XDKOJONHRVNXJB-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838566 1037245728 /nfs/dbraw/zinc/24/57/28/1037245728.db2.gz XDKOJONHRVNXJB-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539846315 1037275894 /nfs/dbraw/zinc/27/58/94/1037275894.db2.gz YPUKGOWGHNCQOO-POZUXBRTSA-N 2 1 330.520 3.867 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000573124049 1037294903 /nfs/dbraw/zinc/29/49/03/1037294903.db2.gz SFHFRYNNFOEDHS-MSOLQXFVSA-N 2 1 337.467 3.695 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000573124054 1037295090 /nfs/dbraw/zinc/29/50/90/1037295090.db2.gz SFHFRYNNFOEDHS-ROUUACIJSA-N 2 1 337.467 3.695 20 0 EHADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000462811336 1037417228 /nfs/dbraw/zinc/41/72/28/1037417228.db2.gz MAVVIBDNCYPWGU-WOJBJXKFSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804162 1037422853 /nfs/dbraw/zinc/42/28/53/1037422853.db2.gz CVZIANFQLVXWCF-CSFVBSKPSA-N 2 1 337.305 3.625 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804162 1037422860 /nfs/dbraw/zinc/42/28/60/1037422860.db2.gz CVZIANFQLVXWCF-CSFVBSKPSA-N 2 1 337.305 3.625 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423475349 1037497140 /nfs/dbraw/zinc/49/71/40/1037497140.db2.gz KEQUTFVUANMBPK-WTIISPKJSA-N 2 1 328.369 3.578 20 0 EHADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@@H+]1C ZINC000462878000 1037505797 /nfs/dbraw/zinc/50/57/97/1037505797.db2.gz KDHDMGPYYPAHMH-YPMHNXCESA-N 2 1 334.261 3.892 20 0 EHADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@H+]1C ZINC000462878000 1037505805 /nfs/dbraw/zinc/50/58/05/1037505805.db2.gz KDHDMGPYYPAHMH-YPMHNXCESA-N 2 1 334.261 3.892 20 0 EHADMP COC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377331799 1037562892 /nfs/dbraw/zinc/56/28/92/1037562892.db2.gz VNCIUBLHIQUASL-MWXLCCTBSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000377330463 1037564350 /nfs/dbraw/zinc/56/43/50/1037564350.db2.gz NLELRHCYVNGTBH-KOUHRCEDSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532538688 1037570792 /nfs/dbraw/zinc/57/07/92/1037570792.db2.gz VMGOLUHDJXVZTK-PMACEKPBSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532538688 1037570790 /nfs/dbraw/zinc/57/07/90/1037570790.db2.gz VMGOLUHDJXVZTK-PMACEKPBSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532538688 1037570804 /nfs/dbraw/zinc/57/08/04/1037570804.db2.gz VMGOLUHDJXVZTK-PMACEKPBSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000540161795 1037619266 /nfs/dbraw/zinc/61/92/66/1037619266.db2.gz XHLCRNTUIIHRCV-IIBYNOLFSA-N 2 1 328.500 3.850 20 0 EHADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000463024875 1037655347 /nfs/dbraw/zinc/65/53/47/1037655347.db2.gz QWPAXLHWJKNWNH-QHAWAJNXSA-N 2 1 344.543 3.733 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073471 1037736537 /nfs/dbraw/zinc/73/65/37/1037736537.db2.gz WNRUWHYCFMRLRU-URVUXULASA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073471 1037736549 /nfs/dbraw/zinc/73/65/49/1037736549.db2.gz WNRUWHYCFMRLRU-URVUXULASA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073471 1037736560 /nfs/dbraw/zinc/73/65/60/1037736560.db2.gz WNRUWHYCFMRLRU-URVUXULASA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073471 1037736574 /nfs/dbraw/zinc/73/65/74/1037736574.db2.gz WNRUWHYCFMRLRU-URVUXULASA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463088824 1037749736 /nfs/dbraw/zinc/74/97/36/1037749736.db2.gz YKEDKSHRXFEFRK-DENIHFKCSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124964 1037777333 /nfs/dbraw/zinc/77/73/33/1037777333.db2.gz VJRNMQLQEJWIKZ-RXVVDRJESA-N 2 1 337.511 3.895 20 0 EHADMP C[C@@H]1C[C@H](NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000463151782 1037823315 /nfs/dbraw/zinc/82/33/15/1037823315.db2.gz MYGUTHAOWZSCRR-ITTUMRLJSA-N 2 1 343.559 3.892 20 0 EHADMP Cc1cscc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463244371 1037930474 /nfs/dbraw/zinc/93/04/74/1037930474.db2.gz SUUGYEVFDIFHDA-UHFFFAOYSA-N 2 1 332.488 3.992 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463273844 1037979805 /nfs/dbraw/zinc/97/98/05/1037979805.db2.gz BHJUSHAMGHJJHZ-CBQOVEMMSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000463273844 1037979822 /nfs/dbraw/zinc/97/98/22/1037979822.db2.gz BHJUSHAMGHJJHZ-CBQOVEMMSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463274138 1037980661 /nfs/dbraw/zinc/98/06/61/1037980661.db2.gz DBLYZDRHUWKINI-URVUXULASA-N 2 1 343.559 3.894 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000893198505 1038422105 /nfs/dbraw/zinc/42/21/05/1038422105.db2.gz DKMVCPXWODKKJD-CYBMUJFWSA-N 2 1 349.466 3.706 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000893198505 1038422112 /nfs/dbraw/zinc/42/21/12/1038422112.db2.gz DKMVCPXWODKKJD-CYBMUJFWSA-N 2 1 349.466 3.706 20 0 EHADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538750418 1038514724 /nfs/dbraw/zinc/51/47/24/1038514724.db2.gz ZUXZKPDQDFETTR-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538750418 1038514740 /nfs/dbraw/zinc/51/47/40/1038514740.db2.gz ZUXZKPDQDFETTR-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000538750418 1038514746 /nfs/dbraw/zinc/51/47/46/1038514746.db2.gz ZUXZKPDQDFETTR-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000538750418 1038514760 /nfs/dbraw/zinc/51/47/60/1038514760.db2.gz ZUXZKPDQDFETTR-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2nccn2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000893224313 1038574962 /nfs/dbraw/zinc/57/49/62/1038574962.db2.gz CJISGVGUFVKQHS-MJGOQNOKSA-N 2 1 338.499 3.608 20 0 EHADMP CCn1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893225445 1038582217 /nfs/dbraw/zinc/58/22/17/1038582217.db2.gz LGXBIAUKRMIANQ-PXNSSMCTSA-N 2 1 340.515 3.602 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149571923 1038670590 /nfs/dbraw/zinc/67/05/90/1038670590.db2.gz LVOYBSOGFKLIPB-NEPJUHHUSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149571923 1038670594 /nfs/dbraw/zinc/67/05/94/1038670594.db2.gz LVOYBSOGFKLIPB-NEPJUHHUSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000539075006 1038671612 /nfs/dbraw/zinc/67/16/12/1038671612.db2.gz NYJFYZCYFOVDPF-PXNSSMCTSA-N 2 1 342.458 3.705 20 0 EHADMP CC[N@@H+](CCC1CCN(Cc2cn3ccsc3n2)CC1)CC(C)C ZINC000539099557 1038684845 /nfs/dbraw/zinc/68/48/45/1038684845.db2.gz HCHMJJOWQSXSNA-UHFFFAOYSA-N 2 1 348.560 3.976 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cn3ccsc3n2)CC1)CC(C)C ZINC000539099557 1038684850 /nfs/dbraw/zinc/68/48/50/1038684850.db2.gz HCHMJJOWQSXSNA-UHFFFAOYSA-N 2 1 348.560 3.976 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn3ccsc3n2)CC1)CC(C)C ZINC000539099557 1038684855 /nfs/dbraw/zinc/68/48/55/1038684855.db2.gz HCHMJJOWQSXSNA-UHFFFAOYSA-N 2 1 348.560 3.976 20 0 EHADMP C[C@@H]([NH2+]CCCc1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378561788 1038721359 /nfs/dbraw/zinc/72/13/59/1038721359.db2.gz PHNGQFPCEUFJFX-AEFFLSMTSA-N 2 1 329.513 3.576 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s1 ZINC000512355482 1038808916 /nfs/dbraw/zinc/80/89/16/1038808916.db2.gz XPRZIMLNFGOKOD-NNUKFRKNSA-N 2 1 337.439 3.519 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)C1 ZINC000124154121 1038817654 /nfs/dbraw/zinc/81/76/54/1038817654.db2.gz QNNGRDSRUGEFTA-HOCLYGCPSA-N 2 1 326.431 3.541 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073556 1038858467 /nfs/dbraw/zinc/85/84/67/1038858467.db2.gz MTKJZOKXGFDABB-UNMCSNQZSA-N 2 1 338.495 3.528 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073556 1038858497 /nfs/dbraw/zinc/85/84/97/1038858497.db2.gz MTKJZOKXGFDABB-UNMCSNQZSA-N 2 1 338.495 3.528 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1n1ccnc1 ZINC000432732965 1038952990 /nfs/dbraw/zinc/95/29/90/1038952990.db2.gz YLVVHHWBTBQSGX-DOMZBBRYSA-N 2 1 330.432 3.715 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1n1ccnc1 ZINC000432732965 1038952997 /nfs/dbraw/zinc/95/29/97/1038952997.db2.gz YLVVHHWBTBQSGX-DOMZBBRYSA-N 2 1 330.432 3.715 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+](C)CC3CC[NH+](C)CC3)s2)cc1 ZINC000093089383 1039013444 /nfs/dbraw/zinc/01/34/44/1039013444.db2.gz VHLOKWPNRYWANP-UHFFFAOYSA-N 2 1 329.513 3.892 20 0 EHADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480019628 1039040990 /nfs/dbraw/zinc/04/09/90/1039040990.db2.gz SSUJIHULDSGQQH-INIZCTEOSA-N 2 1 335.373 3.517 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000552249593 1039092220 /nfs/dbraw/zinc/09/22/20/1039092220.db2.gz DTWDQZPLFBFVHU-AABGKKOBSA-N 2 1 343.515 3.756 20 0 EHADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000480080008 1039116230 /nfs/dbraw/zinc/11/62/30/1039116230.db2.gz KREJGZALTWJAQR-FPOVZHCZSA-N 2 1 331.548 3.605 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CC1(F)F ZINC000898520005 1039193378 /nfs/dbraw/zinc/19/33/78/1039193378.db2.gz SFKTUTBTRDTZAY-HXFGRODQSA-N 2 1 334.454 3.920 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000898523082 1039200090 /nfs/dbraw/zinc/20/00/90/1039200090.db2.gz YSKYBOCNEBJULR-HKBOAZHASA-N 2 1 335.495 3.780 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000552318915 1039200056 /nfs/dbraw/zinc/20/00/56/1039200056.db2.gz ARASJHOKZACSST-NIKGAXFTSA-N 2 1 336.907 3.880 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000660119182 1039223672 /nfs/dbraw/zinc/22/36/72/1039223672.db2.gz YSXIYSNJZQVDLU-OHLDOZIISA-N 2 1 342.527 3.754 20 0 EHADMP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000488619904 1039309670 /nfs/dbraw/zinc/30/96/70/1039309670.db2.gz UUJQJCHEMMCQID-UHFFFAOYSA-N 2 1 342.483 3.658 20 0 EHADMP COc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000488619904 1039309690 /nfs/dbraw/zinc/30/96/90/1039309690.db2.gz UUJQJCHEMMCQID-UHFFFAOYSA-N 2 1 342.483 3.658 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906157159 1039327029 /nfs/dbraw/zinc/32/70/29/1039327029.db2.gz CJXJVHYUOXOGSU-LPHOPBHVSA-N 2 1 336.483 3.595 20 0 EHADMP CCn1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(-c2ccccc2)n1 ZINC000641715757 1039340334 /nfs/dbraw/zinc/34/03/34/1039340334.db2.gz ABLPAUIWXHISFK-INIZCTEOSA-N 2 1 337.471 3.501 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658569 1039415720 /nfs/dbraw/zinc/41/57/20/1039415720.db2.gz JSFAAAAPCCHWNU-QUCCMNQESA-N 2 1 346.515 3.551 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658569 1039415731 /nfs/dbraw/zinc/41/57/31/1039415731.db2.gz JSFAAAAPCCHWNU-QUCCMNQESA-N 2 1 346.515 3.551 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H](c3ccc(F)cn3)C(C)C)CC2)[nH+]1 ZINC000345052661 1039602462 /nfs/dbraw/zinc/60/24/62/1039602462.db2.gz YDHKEHXPVDKETR-HXUWFJFHSA-N 2 1 342.462 3.880 20 0 EHADMP COCCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000480610591 1039751563 /nfs/dbraw/zinc/75/15/63/1039751563.db2.gz OQDRPYKAMPTUFC-OTWHNJEPSA-N 2 1 348.531 3.730 20 0 EHADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842150 1039796623 /nfs/dbraw/zinc/79/66/23/1039796623.db2.gz RJKDFTHQTGXYIX-PMACEKPBSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842150 1039796643 /nfs/dbraw/zinc/79/66/43/1039796643.db2.gz RJKDFTHQTGXYIX-PMACEKPBSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000489600884 1040101028 /nfs/dbraw/zinc/10/10/28/1040101028.db2.gz BWHHPJZFRSVMBR-LLVKDONJSA-N 2 1 331.273 3.827 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(F)nc2)cc1 ZINC000188991229 1040141702 /nfs/dbraw/zinc/14/17/02/1040141702.db2.gz BOEWCTOVHQKKQD-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479347555 1040151617 /nfs/dbraw/zinc/15/16/17/1040151617.db2.gz IAZRERMSBLUSBZ-INIZCTEOSA-N 2 1 337.305 3.855 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667786525 1040191686 /nfs/dbraw/zinc/19/16/86/1040191686.db2.gz SYZYSJGPZRXQFC-MAODMQOUSA-N 2 1 328.500 3.718 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000417863361 1040274289 /nfs/dbraw/zinc/27/42/89/1040274289.db2.gz FQYJBDFAKVDTNK-KRWDZBQOSA-N 2 1 326.488 3.567 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000417863361 1040274304 /nfs/dbraw/zinc/27/43/04/1040274304.db2.gz FQYJBDFAKVDTNK-KRWDZBQOSA-N 2 1 326.488 3.567 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512614577 1040276148 /nfs/dbraw/zinc/27/61/48/1040276148.db2.gz WMQSQOATJHCDHG-BRWVUGGUSA-N 2 1 326.406 3.829 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2F)s1 ZINC000481038388 1040303613 /nfs/dbraw/zinc/30/36/13/1040303613.db2.gz NJFPPCXMPKZMSO-GJZGRUSLSA-N 2 1 348.487 3.662 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000490056014 1040327454 /nfs/dbraw/zinc/32/74/54/1040327454.db2.gz CVGNFIPREMVWPZ-QFIPXVFZSA-N 2 1 336.479 3.938 20 0 EHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479515281 1040332943 /nfs/dbraw/zinc/33/29/43/1040332943.db2.gz IGEWQISCTKRCJK-CBNMVNINSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000667518286 1040371203 /nfs/dbraw/zinc/37/12/03/1040371203.db2.gz WKJJDWLHBCTNGI-KRWDZBQOSA-N 2 1 329.513 3.892 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000667518286 1040371215 /nfs/dbraw/zinc/37/12/15/1040371215.db2.gz WKJJDWLHBCTNGI-KRWDZBQOSA-N 2 1 329.513 3.892 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000667518286 1040371233 /nfs/dbraw/zinc/37/12/33/1040371233.db2.gz WKJJDWLHBCTNGI-KRWDZBQOSA-N 2 1 329.513 3.892 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1C1CCC1)C1CC[NH+](C)CC1 ZINC000512652583 1040403465 /nfs/dbraw/zinc/40/34/65/1040403465.db2.gz PPLNHTNXEXEROU-JOCHJYFZSA-N 2 1 341.543 3.982 20 0 EHADMP CCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000555396976 1040530825 /nfs/dbraw/zinc/53/08/25/1040530825.db2.gz ZBQIWOFLEJVFHF-UHFFFAOYSA-N 2 1 343.515 3.922 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000490404497 1040546787 /nfs/dbraw/zinc/54/67/87/1040546787.db2.gz SLWLTQUZHAORSU-PSWRPDDJSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404497 1040546805 /nfs/dbraw/zinc/54/68/05/1040546805.db2.gz SLWLTQUZHAORSU-PSWRPDDJSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404497 1040546821 /nfs/dbraw/zinc/54/68/21/1040546821.db2.gz SLWLTQUZHAORSU-PSWRPDDJSA-N 2 1 342.527 3.788 20 0 EHADMP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988614 1040625888 /nfs/dbraw/zinc/62/58/88/1040625888.db2.gz QECGLOAECNSUKM-YDZHWAMISA-N 2 1 327.497 3.658 20 0 EHADMP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988614 1040625900 /nfs/dbraw/zinc/62/59/00/1040625900.db2.gz QECGLOAECNSUKM-YDZHWAMISA-N 2 1 327.497 3.658 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000481326724 1040691243 /nfs/dbraw/zinc/69/12/43/1040691243.db2.gz ZDGLWDQBYJGYFO-LSDHHAIUSA-N 2 1 326.431 3.979 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000481712518 1041291996 /nfs/dbraw/zinc/29/19/96/1041291996.db2.gz ATILAAVPUADMRZ-RXVVDRJESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000481712518 1041292008 /nfs/dbraw/zinc/29/20/08/1041292008.db2.gz ATILAAVPUADMRZ-RXVVDRJESA-N 2 1 330.516 3.836 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433330090 1041294755 /nfs/dbraw/zinc/29/47/55/1041294755.db2.gz ATGUQFYXRMULCT-NVXWUHKLSA-N 2 1 330.476 3.660 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000481731726 1041306046 /nfs/dbraw/zinc/30/60/46/1041306046.db2.gz DADBBDSIEWBAKB-YLJYHZDGSA-N 2 1 348.494 3.514 20 0 EHADMP c1ccc(C[NH2+]C2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000660678418 1041770496 /nfs/dbraw/zinc/77/04/96/1041770496.db2.gz UEBBWCPAKFXYOK-HSZRJFAPSA-N 2 1 349.522 3.515 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000660833628 1041840837 /nfs/dbraw/zinc/84/08/37/1041840837.db2.gz HDBVEOYGLNVABO-LJQANCHMSA-N 2 1 335.580 3.695 20 0 EHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786346 1042031779 /nfs/dbraw/zinc/03/17/79/1042031779.db2.gz SZGMTJWFCQMKPN-CZUORRHYSA-N 2 1 340.870 3.557 20 0 EHADMP C[C@H](c1cc2ccccc2s1)N1CCc2sc(CN)nc2C1 ZINC000925749946 1042482042 /nfs/dbraw/zinc/48/20/42/1042482042.db2.gz BIQUNVXQZWIQSB-LLVKDONJSA-N 2 1 329.494 3.936 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662051962 1042482676 /nfs/dbraw/zinc/48/26/76/1042482676.db2.gz PDBTWXRHJPYRMZ-OAHLLOKOSA-N 2 1 342.270 3.602 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662285085 1042655499 /nfs/dbraw/zinc/65/54/99/1042655499.db2.gz WGGOZIOGOITQEJ-OHLDOZIISA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H]1CCC[NH3+] ZINC000662313204 1042677175 /nfs/dbraw/zinc/67/71/75/1042677175.db2.gz GHZJCPONMHTMQF-AUUYWEPGSA-N 2 1 331.435 3.820 20 0 EHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1csc(Cl)c1 ZINC000343919313 1042827959 /nfs/dbraw/zinc/82/79/59/1042827959.db2.gz CEDJITKNOISTKK-GFCCVEGCSA-N 2 1 339.892 3.588 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467195 1042890463 /nfs/dbraw/zinc/89/04/63/1042890463.db2.gz DIQMLKIBIDCZAQ-DOTOQJQBSA-N 2 1 333.495 3.664 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467195 1042890471 /nfs/dbraw/zinc/89/04/71/1042890471.db2.gz DIQMLKIBIDCZAQ-DOTOQJQBSA-N 2 1 333.495 3.664 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663470656 1042900934 /nfs/dbraw/zinc/90/09/34/1042900934.db2.gz WBALJLKKFRWUIO-DENIHFKCSA-N 2 1 342.527 3.728 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663471830 1042902160 /nfs/dbraw/zinc/90/21/60/1042902160.db2.gz YOVHGIDJGJSXCK-WMZOPIPTSA-N 2 1 346.515 3.785 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000278911681 1042920352 /nfs/dbraw/zinc/92/03/52/1042920352.db2.gz GXGCPMRPZAUKII-DOMZBBRYSA-N 2 1 333.888 3.926 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001167827827 1042974072 /nfs/dbraw/zinc/97/40/72/1042974072.db2.gz XZLKZAZANOFXAV-GOSISDBHSA-N 2 1 340.515 3.741 20 0 EHADMP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278963683 1043095017 /nfs/dbraw/zinc/09/50/17/1043095017.db2.gz MRGAUSZQJIPPKT-LSDHHAIUSA-N 2 1 339.439 3.941 20 0 EHADMP CCC[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414613 1043128422 /nfs/dbraw/zinc/12/84/22/1043128422.db2.gz AACMPBDQKICNLW-TZIWHRDSSA-N 2 1 332.532 3.878 20 0 EHADMP CCC[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414613 1043128426 /nfs/dbraw/zinc/12/84/26/1043128426.db2.gz AACMPBDQKICNLW-TZIWHRDSSA-N 2 1 332.532 3.878 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279024660 1043214806 /nfs/dbraw/zinc/21/48/06/1043214806.db2.gz VGBZVEYDNNACFN-RDJZCZTQSA-N 2 1 327.497 3.889 20 0 EHADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000344205906 1043437016 /nfs/dbraw/zinc/43/70/16/1043437016.db2.gz CDZIKNJFDCUVQK-HNNXBMFYSA-N 2 1 345.512 3.777 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430476 1044068264 /nfs/dbraw/zinc/06/82/64/1044068264.db2.gz GOIBPEDRJMFRFF-RVKKMQEKSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430476 1044068275 /nfs/dbraw/zinc/06/82/75/1044068275.db2.gz GOIBPEDRJMFRFF-RVKKMQEKSA-N 2 1 343.446 3.831 20 0 EHADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000279851918 1044747361 /nfs/dbraw/zinc/74/73/61/1044747361.db2.gz IKGYMLDFVOBZDI-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000279851918 1044747374 /nfs/dbraw/zinc/74/73/74/1044747374.db2.gz IKGYMLDFVOBZDI-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000163229752 1125709008 /nfs/dbraw/zinc/70/90/08/1125709008.db2.gz RAANLKOENWHDJA-BDJLRTHQSA-N 2 1 341.268 3.507 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000154538940 1125728145 /nfs/dbraw/zinc/72/81/45/1125728145.db2.gz MJBWVGWHRGCYNK-JOCHJYFZSA-N 2 1 345.575 3.569 20 0 EHADMP CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000172093082 1126779783 /nfs/dbraw/zinc/77/97/83/1126779783.db2.gz VZUOJSNJCMYYCQ-CRAIPNDOSA-N 2 1 333.520 3.532 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000623086295 1126873975 /nfs/dbraw/zinc/87/39/75/1126873975.db2.gz IJYNTISDUKWSSS-UHFFFAOYSA-N 2 1 349.478 3.764 20 0 EHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623343848 1126923090 /nfs/dbraw/zinc/92/30/90/1126923090.db2.gz KZHIBCDVMMUTRB-IBGZPJMESA-N 2 1 340.515 3.511 20 0 EHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623343848 1126923094 /nfs/dbraw/zinc/92/30/94/1126923094.db2.gz KZHIBCDVMMUTRB-IBGZPJMESA-N 2 1 340.515 3.511 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356561 1126929120 /nfs/dbraw/zinc/92/91/20/1126929120.db2.gz XAUNNABTDZBSBV-RTBURBONSA-N 2 1 349.950 3.939 20 0 EHADMP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n(-c2ccccc2)n1 ZINC000623469018 1126962501 /nfs/dbraw/zinc/96/25/01/1126962501.db2.gz NEMWSTQUROTZEJ-SJLPKXTDSA-N 2 1 340.515 3.574 20 0 EHADMP Cc1ccc(-c2ncc(CNC[C@H]3CCCC[N@H+](C)C3)s2)cc1 ZINC000623656570 1127005797 /nfs/dbraw/zinc/00/57/97/1127005797.db2.gz XNOSRGKJMUCKLZ-MRXNPFEDSA-N 2 1 329.513 3.940 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)s2)cc1 ZINC000623656570 1127005801 /nfs/dbraw/zinc/00/58/01/1127005801.db2.gz XNOSRGKJMUCKLZ-MRXNPFEDSA-N 2 1 329.513 3.940 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)s2)cc1 ZINC000623656570 1127005804 /nfs/dbraw/zinc/00/58/04/1127005804.db2.gz XNOSRGKJMUCKLZ-MRXNPFEDSA-N 2 1 329.513 3.940 20 0 EHADMP Cc1nn(C)c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1Cl ZINC000921501907 1127061605 /nfs/dbraw/zinc/06/16/05/1127061605.db2.gz BJBXDCVEPZOMOP-UHFFFAOYSA-N 2 1 346.906 3.658 20 0 EHADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799360 1127180703 /nfs/dbraw/zinc/18/07/03/1127180703.db2.gz WGQIJFYJLHAMTH-BBWFWOEESA-N 2 1 343.298 3.633 20 0 EHADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799360 1127180704 /nfs/dbraw/zinc/18/07/04/1127180704.db2.gz WGQIJFYJLHAMTH-BBWFWOEESA-N 2 1 343.298 3.633 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623798998 1127180969 /nfs/dbraw/zinc/18/09/69/1127180969.db2.gz LRHUURAIHKKYTK-CVEARBPZSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623798998 1127180972 /nfs/dbraw/zinc/18/09/72/1127180972.db2.gz LRHUURAIHKKYTK-CVEARBPZSA-N 2 1 345.314 3.879 20 0 EHADMP Cc1cccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C(C)C)c1 ZINC000623893419 1127207392 /nfs/dbraw/zinc/20/73/92/1127207392.db2.gz PXOPLAOJRJPNPR-NHCUHLMSSA-N 2 1 330.516 3.925 20 0 EHADMP CC(C)CC[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000624110671 1127253328 /nfs/dbraw/zinc/25/33/28/1127253328.db2.gz CQMZQMPCIICXPA-NYLDSWQDSA-N 2 1 332.532 3.816 20 0 EHADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122224 1127256745 /nfs/dbraw/zinc/25/67/45/1127256745.db2.gz MPBRBTIXAGPCLG-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122224 1127256750 /nfs/dbraw/zinc/25/67/50/1127256750.db2.gz MPBRBTIXAGPCLG-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122224 1127256754 /nfs/dbraw/zinc/25/67/54/1127256754.db2.gz MPBRBTIXAGPCLG-MYGLTJDJSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122224 1127256756 /nfs/dbraw/zinc/25/67/56/1127256756.db2.gz MPBRBTIXAGPCLG-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122224 1127256760 /nfs/dbraw/zinc/25/67/60/1127256760.db2.gz MPBRBTIXAGPCLG-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122224 1127256762 /nfs/dbraw/zinc/25/67/62/1127256762.db2.gz MPBRBTIXAGPCLG-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122224 1127256764 /nfs/dbraw/zinc/25/67/64/1127256764.db2.gz MPBRBTIXAGPCLG-MYGLTJDJSA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122227 1127257059 /nfs/dbraw/zinc/25/70/59/1127257059.db2.gz MPBRBTIXAGPCLG-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122227 1127257060 /nfs/dbraw/zinc/25/70/60/1127257060.db2.gz MPBRBTIXAGPCLG-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122227 1127257063 /nfs/dbraw/zinc/25/70/63/1127257063.db2.gz MPBRBTIXAGPCLG-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122227 1127257066 /nfs/dbraw/zinc/25/70/66/1127257066.db2.gz MPBRBTIXAGPCLG-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122227 1127257068 /nfs/dbraw/zinc/25/70/68/1127257068.db2.gz MPBRBTIXAGPCLG-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122227 1127257071 /nfs/dbraw/zinc/25/70/71/1127257071.db2.gz MPBRBTIXAGPCLG-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122227 1127257073 /nfs/dbraw/zinc/25/70/73/1127257073.db2.gz MPBRBTIXAGPCLG-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624124218 1127257576 /nfs/dbraw/zinc/25/75/76/1127257576.db2.gz ZYUGVVNMAAHMAR-HOCLYGCPSA-N 2 1 339.321 3.702 20 0 EHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000181733522 1127292728 /nfs/dbraw/zinc/29/27/28/1127292728.db2.gz XHJSFWPEEDQVFE-IAGOWNOFSA-N 2 1 344.499 3.883 20 0 EHADMP C[C@H](CC1CCCCC1)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183331662 1127372985 /nfs/dbraw/zinc/37/29/85/1127372985.db2.gz DIRNQWIEKIQOMB-CTNGQTDRSA-N 2 1 335.580 3.695 20 0 EHADMP C[C@H]([NH2+]CCCOCCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737042 1127430803 /nfs/dbraw/zinc/43/08/03/1127430803.db2.gz HWGCIUSKWVFQGC-FPOVZHCZSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@H]([NH2+][C@@H]1COCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385672966 1127610435 /nfs/dbraw/zinc/61/04/35/1127610435.db2.gz FDINATCMOCHPNZ-LQBOVUBWSA-N 2 1 336.479 3.758 20 0 EHADMP C[C@H]([NH2+][C@@H]1COCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385672966 1127610436 /nfs/dbraw/zinc/61/04/36/1127610436.db2.gz FDINATCMOCHPNZ-LQBOVUBWSA-N 2 1 336.479 3.758 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000765505590 1127628754 /nfs/dbraw/zinc/62/87/54/1127628754.db2.gz KACZVAFXNSVZCV-MRXNPFEDSA-N 2 1 348.450 3.522 20 0 EHADMP Fc1cc2[nH]cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c2cc1Cl ZINC000624290515 1127791000 /nfs/dbraw/zinc/79/10/00/1127791000.db2.gz DCWUCQXTOSUHHE-UHFFFAOYSA-N 2 1 335.854 3.719 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166269165 1128102381 /nfs/dbraw/zinc/10/23/81/1128102381.db2.gz SHSMLUYWAGUDLE-QZTJIDSGSA-N 2 1 328.500 3.723 20 0 EHADMP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000282235383 1128121612 /nfs/dbraw/zinc/12/16/12/1128121612.db2.gz ZRLIEPQRKTXECI-IRLDBZIGSA-N 2 1 343.559 3.589 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@H]2CCC[C@H]21 ZINC000671744455 1128183216 /nfs/dbraw/zinc/18/32/16/1128183216.db2.gz JERYKROHBOFUPR-ZIFCJYIRSA-N 2 1 331.891 3.826 20 0 EHADMP COc1cc(C)cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090724026 1128450717 /nfs/dbraw/zinc/45/07/17/1128450717.db2.gz KEKCNCAYKDSDAI-UHFFFAOYSA-N 2 1 338.495 3.800 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000655835333 1128492151 /nfs/dbraw/zinc/49/21/51/1128492151.db2.gz NQHYGTVVLFCWRR-KPUOSGPGSA-N 2 1 349.522 3.903 20 0 EHADMP CC1(C)CCCN(c2cc[nH+]c(NC3CC([NH+]4CCCCC4)C3)n2)C1 ZINC000656183894 1128799217 /nfs/dbraw/zinc/79/92/17/1128799217.db2.gz REMUZJJYMKGRAH-UHFFFAOYSA-N 2 1 343.519 3.532 20 0 EHADMP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001648792026 1120031935 /nfs/dbraw/zinc/03/19/35/1120031935.db2.gz FODHFWIAMYBMBF-OAHLLOKOSA-N 2 1 326.488 3.548 20 0 EHADMP CCCCCN(C)c1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC001648828690 1120050753 /nfs/dbraw/zinc/05/07/53/1120050753.db2.gz QDDRAJZFANQCCO-KRWDZBQOSA-N 2 1 335.511 3.884 20 0 EHADMP CCCCCN(C)c1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC001648828690 1120050756 /nfs/dbraw/zinc/05/07/56/1120050756.db2.gz QDDRAJZFANQCCO-KRWDZBQOSA-N 2 1 335.511 3.884 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)C[NH+]3CCCCC3)s2)o1 ZINC001648882548 1120061150 /nfs/dbraw/zinc/06/11/50/1120061150.db2.gz UVCPLAXZBLBACY-CQSZACIVSA-N 2 1 333.501 3.923 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000076004302 1128897696 /nfs/dbraw/zinc/89/76/96/1128897696.db2.gz DPMDCLARKFCEOX-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000076004302 1128897699 /nfs/dbraw/zinc/89/76/99/1128897699.db2.gz DPMDCLARKFCEOX-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186827136 1120476942 /nfs/dbraw/zinc/47/69/42/1120476942.db2.gz FCLFNTLPAWTBOA-VXKWHMMOSA-N 2 1 344.543 3.877 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000678941284 1128924591 /nfs/dbraw/zinc/92/45/91/1128924591.db2.gz MPIREDMNJMPHNN-UHFFFAOYSA-N 2 1 340.442 3.756 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000191441049 1120673871 /nfs/dbraw/zinc/67/38/71/1120673871.db2.gz BBYJEEYKOJHLGB-FQEVSTJZSA-N 2 1 343.559 3.703 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000195139310 1120766998 /nfs/dbraw/zinc/76/69/98/1120766998.db2.gz ZKPOAUKRRGAXCK-AZUAARDMSA-N 2 1 337.511 3.925 20 0 EHADMP CCOc1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531046 1120924440 /nfs/dbraw/zinc/92/44/40/1120924440.db2.gz IRIPRYUBHGOABO-ZWKOTPCHSA-N 2 1 346.515 3.707 20 0 EHADMP CC(C)[N@@H+]1CCOC[C@]2(CCCN([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477527 1120956820 /nfs/dbraw/zinc/95/68/20/1120956820.db2.gz CHURJECVDQWPCG-WIYYLYMNSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477527 1120956825 /nfs/dbraw/zinc/95/68/25/1120956825.db2.gz CHURJECVDQWPCG-WIYYLYMNSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477527 1120956830 /nfs/dbraw/zinc/95/68/30/1120956830.db2.gz CHURJECVDQWPCG-WIYYLYMNSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477527 1120956836 /nfs/dbraw/zinc/95/68/36/1120956836.db2.gz CHURJECVDQWPCG-WIYYLYMNSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477527 1120956840 /nfs/dbraw/zinc/95/68/40/1120956840.db2.gz CHURJECVDQWPCG-WIYYLYMNSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477527 1120956845 /nfs/dbraw/zinc/95/68/45/1120956845.db2.gz CHURJECVDQWPCG-WIYYLYMNSA-N 2 1 348.506 3.580 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2-c2ccccc2)CCCO1 ZINC000762481528 1121322851 /nfs/dbraw/zinc/32/28/51/1121322851.db2.gz FWKXLVDUNFKYHV-IBGZPJMESA-N 2 1 338.495 3.944 20 0 EHADMP Cc1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000153599277 1121398746 /nfs/dbraw/zinc/39/87/46/1121398746.db2.gz BBSYGJCRVBCQGK-HUUCEWRRSA-N 2 1 329.513 3.698 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1ccc(-n2cccn2)cc1)C1CCCCC1 ZINC000237089159 1121473099 /nfs/dbraw/zinc/47/30/99/1121473099.db2.gz OMCAEOGCBKZPQT-UHFFFAOYSA-N 2 1 326.488 3.617 20 0 EHADMP COc1cccc2cc(C[NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)oc21 ZINC000915678443 1121580799 /nfs/dbraw/zinc/58/07/99/1121580799.db2.gz MTYRGXYSARGJHZ-HZPDHXFCSA-N 2 1 330.472 3.899 20 0 EHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000648875651 1121782037 /nfs/dbraw/zinc/78/20/37/1121782037.db2.gz ZRMISZFEQDARJX-MRXNPFEDSA-N 2 1 342.487 3.877 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000037318639 1122224313 /nfs/dbraw/zinc/22/43/13/1122224313.db2.gz AQJYXEHTKIEEEJ-LLVKDONJSA-N 2 1 341.268 3.866 20 0 EHADMP Cc1nc(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cs1 ZINC000125472928 1122317602 /nfs/dbraw/zinc/31/76/02/1122317602.db2.gz ZELGYWRSIBPFPX-MRXNPFEDSA-N 2 1 335.561 3.971 20 0 EHADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127414226 1122483280 /nfs/dbraw/zinc/48/32/80/1122483280.db2.gz AFDSFUSLDFZPNE-MRXNPFEDSA-N 2 1 344.528 3.797 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127414226 1122483283 /nfs/dbraw/zinc/48/32/83/1122483283.db2.gz AFDSFUSLDFZPNE-MRXNPFEDSA-N 2 1 344.528 3.797 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127414226 1122483284 /nfs/dbraw/zinc/48/32/84/1122483284.db2.gz AFDSFUSLDFZPNE-MRXNPFEDSA-N 2 1 344.528 3.797 20 0 EHADMP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000129286517 1122760056 /nfs/dbraw/zinc/76/00/56/1122760056.db2.gz UFVYAFUPDRTAGD-WOJBJXKFSA-N 2 1 332.557 3.957 20 0 EHADMP C[N@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC000556104169 1122815952 /nfs/dbraw/zinc/81/59/52/1122815952.db2.gz MSHXUKADVGVEMG-PMACEKPBSA-N 2 1 329.532 3.674 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000556106610 1122817295 /nfs/dbraw/zinc/81/72/95/1122817295.db2.gz NORKUCVZVWNZAG-IRLDBZIGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000556106610 1122817300 /nfs/dbraw/zinc/81/73/00/1122817300.db2.gz NORKUCVZVWNZAG-IRLDBZIGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000556106610 1122817305 /nfs/dbraw/zinc/81/73/05/1122817305.db2.gz NORKUCVZVWNZAG-IRLDBZIGSA-N 2 1 343.559 3.846 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000556178164 1122860675 /nfs/dbraw/zinc/86/06/75/1122860675.db2.gz DEGJBUOVOPUULH-TUFLPTIASA-N 2 1 328.500 3.617 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000556178164 1122860681 /nfs/dbraw/zinc/86/06/81/1122860681.db2.gz DEGJBUOVOPUULH-TUFLPTIASA-N 2 1 328.500 3.617 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000130908559 1123020758 /nfs/dbraw/zinc/02/07/58/1123020758.db2.gz HHNANPIQAIYCLR-UHFFFAOYSA-N 2 1 343.471 3.669 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000130908559 1123020763 /nfs/dbraw/zinc/02/07/63/1123020763.db2.gz HHNANPIQAIYCLR-UHFFFAOYSA-N 2 1 343.471 3.669 20 0 EHADMP CC[N@H+]1CC[C@@H](CNCc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000131232929 1123062788 /nfs/dbraw/zinc/06/27/88/1123062788.db2.gz LVJGJZDVUQOQSS-KRWDZBQOSA-N 2 1 340.515 3.601 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000131232929 1123062791 /nfs/dbraw/zinc/06/27/91/1123062791.db2.gz LVJGJZDVUQOQSS-KRWDZBQOSA-N 2 1 340.515 3.601 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000131232929 1123062796 /nfs/dbraw/zinc/06/27/96/1123062796.db2.gz LVJGJZDVUQOQSS-KRWDZBQOSA-N 2 1 340.515 3.601 20 0 EHADMP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000919739454 1123136324 /nfs/dbraw/zinc/13/63/24/1123136324.db2.gz VEFZLWDJRMJDDV-WMZOPIPTSA-N 2 1 330.472 3.663 20 0 EHADMP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000919739454 1123136326 /nfs/dbraw/zinc/13/63/26/1123136326.db2.gz VEFZLWDJRMJDDV-WMZOPIPTSA-N 2 1 330.472 3.663 20 0 EHADMP C[C@H](CN1CCCCC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556857382 1123154549 /nfs/dbraw/zinc/15/45/49/1123154549.db2.gz YWELGLXTIFUAEE-JSRJAPPDSA-N 3 1 343.559 3.894 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868638 1123159101 /nfs/dbraw/zinc/15/91/01/1123159101.db2.gz URCMZBZAVUCUBA-CZUORRHYSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000556887368 1123167909 /nfs/dbraw/zinc/16/79/09/1123167909.db2.gz VYWMOZIFESLZMP-HRCADAONSA-N 2 1 342.405 3.590 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132345862 1123220276 /nfs/dbraw/zinc/22/02/76/1123220276.db2.gz JRAWTUFMMKAZBS-OAHLLOKOSA-N 2 1 329.410 3.655 20 0 EHADMP CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499230260 1123284499 /nfs/dbraw/zinc/28/44/99/1123284499.db2.gz RQAOKQIJRFQJHN-RQUKQETFSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133427395 1123393199 /nfs/dbraw/zinc/39/31/99/1123393199.db2.gz HYGMICORLZXQQQ-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133427395 1123393204 /nfs/dbraw/zinc/39/32/04/1123393204.db2.gz HYGMICORLZXQQQ-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133427395 1123393208 /nfs/dbraw/zinc/39/32/08/1123393208.db2.gz HYGMICORLZXQQQ-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133427395 1123393214 /nfs/dbraw/zinc/39/32/14/1123393214.db2.gz HYGMICORLZXQQQ-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571663 1123848051 /nfs/dbraw/zinc/84/80/51/1123848051.db2.gz ORILXTGRMHGCMT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571663 1123848059 /nfs/dbraw/zinc/84/80/59/1123848059.db2.gz ORILXTGRMHGCMT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571663 1123848065 /nfs/dbraw/zinc/84/80/65/1123848065.db2.gz ORILXTGRMHGCMT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571663 1123848072 /nfs/dbraw/zinc/84/80/72/1123848072.db2.gz ORILXTGRMHGCMT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000138169948 1123849166 /nfs/dbraw/zinc/84/91/66/1123849166.db2.gz UFFZZGMLIUXOQW-SFHVURJKSA-N 2 1 340.515 3.826 20 0 EHADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245673621 1123918794 /nfs/dbraw/zinc/91/87/94/1123918794.db2.gz HSOXMNOSBRXPHL-PLACYPQZSA-N 2 1 344.543 3.815 20 0 EHADMP COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245768014 1123948533 /nfs/dbraw/zinc/94/85/33/1123948533.db2.gz WTYOAVXHDAAJTG-MZADTFQBSA-N 2 1 336.479 3.980 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000245952029 1123989474 /nfs/dbraw/zinc/98/94/74/1123989474.db2.gz LIBZLKDQRHBIFF-IRXDYDNUSA-N 2 1 325.500 3.655 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC4CCC3CC4)CC2)oc1C ZINC000825302663 1131266724 /nfs/dbraw/zinc/26/67/24/1131266724.db2.gz YXTIQESRRFVWKS-KVZIAJEVSA-N 2 1 331.504 3.672 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[NH+](C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568723 /nfs/dbraw/zinc/56/87/23/1124568723.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568724 /nfs/dbraw/zinc/56/87/24/1124568724.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568732 /nfs/dbraw/zinc/56/87/32/1124568732.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3C[C@@H](C)[NH+](C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568748 /nfs/dbraw/zinc/56/87/48/1124568748.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3C[C@@H](C)[NH+](C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568768 /nfs/dbraw/zinc/56/87/68/1124568768.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568776 /nfs/dbraw/zinc/56/87/76/1124568776.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568787 /nfs/dbraw/zinc/56/87/87/1124568787.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568802 /nfs/dbraw/zinc/56/88/02/1124568802.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)cc2)C1 ZINC000246932278 1124568808 /nfs/dbraw/zinc/56/88/08/1124568808.db2.gz HEOXCPGHSLWDRC-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000247112158 1124588794 /nfs/dbraw/zinc/58/87/94/1124588794.db2.gz TWVFEZNTPYRHCE-FRQCXROJSA-N 2 1 346.515 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000247112158 1124588807 /nfs/dbraw/zinc/58/88/07/1124588807.db2.gz TWVFEZNTPYRHCE-FRQCXROJSA-N 2 1 346.515 3.835 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000248047841 1124636279 /nfs/dbraw/zinc/63/62/79/1124636279.db2.gz VNWCKENUDUSCGZ-SJLPKXTDSA-N 2 1 329.532 3.721 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000248047841 1124636282 /nfs/dbraw/zinc/63/62/82/1124636282.db2.gz VNWCKENUDUSCGZ-SJLPKXTDSA-N 2 1 329.532 3.721 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391999 1124655217 /nfs/dbraw/zinc/65/52/17/1124655217.db2.gz CQDHYSPZQYOSQZ-PWRODBHTSA-N 2 1 330.516 3.693 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248411043 1124659501 /nfs/dbraw/zinc/65/95/01/1124659501.db2.gz HVPAIMYUZUGIKR-OJAHFUOMSA-N 2 1 330.516 3.690 20 0 EHADMP c1cc(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000248676220 1124687600 /nfs/dbraw/zinc/68/76/00/1124687600.db2.gz YSQGHUJJTJKZAO-FPOVZHCZSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000248676220 1124687602 /nfs/dbraw/zinc/68/76/02/1124687602.db2.gz YSQGHUJJTJKZAO-FPOVZHCZSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000248676220 1124687605 /nfs/dbraw/zinc/68/76/05/1124687605.db2.gz YSQGHUJJTJKZAO-FPOVZHCZSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000248676220 1124687611 /nfs/dbraw/zinc/68/76/11/1124687611.db2.gz YSQGHUJJTJKZAO-FPOVZHCZSA-N 2 1 340.511 3.503 20 0 EHADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(Cl)cc21 ZINC000249211756 1124746559 /nfs/dbraw/zinc/74/65/59/1124746559.db2.gz YHCOVROSMMFXBU-SJORKVTESA-N 2 1 331.891 3.591 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249587619 1124767047 /nfs/dbraw/zinc/76/70/47/1124767047.db2.gz OPQBUUHONUGWHP-KFKAGJAMSA-N 2 1 348.556 3.827 20 0 EHADMP Cc1ccc(CC[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089595241 1124824467 /nfs/dbraw/zinc/82/44/67/1124824467.db2.gz LSFJIMCZNCEYJP-HXUWFJFHSA-N 2 1 344.543 3.941 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cc(C)no2)ccc1OC ZINC000182838642 1125378252 /nfs/dbraw/zinc/37/82/52/1125378252.db2.gz NFUORBAQDSETJO-OAHLLOKOSA-N 2 1 331.460 3.684 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]21 ZINC000261884050 1125388503 /nfs/dbraw/zinc/38/85/03/1125388503.db2.gz MXWFQGLCGGUPDH-IAOVAPTHSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@H]21 ZINC000261884050 1125388506 /nfs/dbraw/zinc/38/85/06/1125388506.db2.gz MXWFQGLCGGUPDH-IAOVAPTHSA-N 2 1 331.847 3.554 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000261905540 1125389969 /nfs/dbraw/zinc/38/99/69/1125389969.db2.gz PIMVIQZQTRBYGF-NUEKZKHPSA-N 2 1 329.875 3.756 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921885 1125390646 /nfs/dbraw/zinc/39/06/46/1125390646.db2.gz HYIFVFWCCDICCW-FZMZJTMJSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921885 1125390648 /nfs/dbraw/zinc/39/06/48/1125390648.db2.gz HYIFVFWCCDICCW-FZMZJTMJSA-N 2 1 344.286 3.524 20 0 EHADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210704 1125412591 /nfs/dbraw/zinc/41/25/91/1125412591.db2.gz LPKGEQXZBFUBBW-KJJMTIBFSA-N 2 1 341.543 3.724 20 0 EHADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210712 1125413148 /nfs/dbraw/zinc/41/31/48/1125413148.db2.gz LPKGEQXZBFUBBW-YSFYHYPLSA-N 2 1 341.543 3.724 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000157648639 1129302139 /nfs/dbraw/zinc/30/21/39/1129302139.db2.gz CHVADIGADOVXNA-MOPGFXCFSA-N 3 1 343.559 3.738 20 0 EHADMP C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000466361785 1129403337 /nfs/dbraw/zinc/40/33/37/1129403337.db2.gz YDBZFRJDGKABSA-CTAFRAEOSA-N 2 1 334.548 3.968 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000673602707 1129610015 /nfs/dbraw/zinc/61/00/15/1129610015.db2.gz NBCLRGHCNSBWEM-LALPHHSUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000673602707 1129610020 /nfs/dbraw/zinc/61/00/20/1129610020.db2.gz NBCLRGHCNSBWEM-LALPHHSUSA-N 2 1 343.284 3.592 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](CC/C=C\c3ccc(Br)cc3)C2)C1 ZINC000428996042 1129680987 /nfs/dbraw/zinc/68/09/87/1129680987.db2.gz AQMZBSCVNQPJQH-HCABJEFNSA-N 2 1 349.316 3.880 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](CC/C=C\c3ccc(Br)cc3)C2)C1 ZINC000428996042 1129680990 /nfs/dbraw/zinc/68/09/90/1129680990.db2.gz AQMZBSCVNQPJQH-HCABJEFNSA-N 2 1 349.316 3.880 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282442926 1129843469 /nfs/dbraw/zinc/84/34/69/1129843469.db2.gz IFFYLQSHBLNCED-LJQANCHMSA-N 2 1 346.515 3.610 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282442926 1129843476 /nfs/dbraw/zinc/84/34/76/1129843476.db2.gz IFFYLQSHBLNCED-LJQANCHMSA-N 2 1 346.515 3.610 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000658146083 1130197770 /nfs/dbraw/zinc/19/77/70/1130197770.db2.gz USVAFIYRCGKFLS-PGRDOPGGSA-N 2 1 338.495 3.721 20 0 EHADMP Cc1csc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000675748229 1130469121 /nfs/dbraw/zinc/46/91/21/1130469121.db2.gz FNOHBMGLQHQCBF-AWEZNQCLSA-N 2 1 326.469 3.839 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000675748295 1130470125 /nfs/dbraw/zinc/47/01/25/1130470125.db2.gz WAEICLQEQXRYHG-RTBURBONSA-N 3 1 343.559 3.738 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000675881434 1130499906 /nfs/dbraw/zinc/49/99/06/1130499906.db2.gz LGAJAYSZMCYFET-PLMTUMEDSA-N 2 1 328.500 3.858 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000675882012 1130501488 /nfs/dbraw/zinc/50/14/88/1130501488.db2.gz PEZOBJKMVPNCMV-PXNSSMCTSA-N 2 1 330.516 3.586 20 0 EHADMP Cc1cccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000285073156 1130619285 /nfs/dbraw/zinc/61/92/85/1130619285.db2.gz JHGSYTOETAUYTP-UHFFFAOYSA-N 2 1 337.511 3.965 20 0 EHADMP c1cc(N2CCCC2)nc(NC2CC[NH+](CC3CCCCC3)CC2)[nH+]1 ZINC000733188684 1131006711 /nfs/dbraw/zinc/00/67/11/1131006711.db2.gz KYERXNZIHMYTCA-UHFFFAOYSA-N 2 1 343.519 3.533 20 0 EHADMP CC(C)COCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172472999 1131734479 /nfs/dbraw/zinc/73/44/79/1131734479.db2.gz BLXQXKKOZDQBDX-NRSPTQNISA-N 2 1 330.516 3.501 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172472999 1131734483 /nfs/dbraw/zinc/73/44/83/1131734483.db2.gz BLXQXKKOZDQBDX-NRSPTQNISA-N 2 1 330.516 3.501 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172472999 1131734489 /nfs/dbraw/zinc/73/44/89/1131734489.db2.gz BLXQXKKOZDQBDX-NRSPTQNISA-N 2 1 330.516 3.501 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717138 1131819389 /nfs/dbraw/zinc/81/93/89/1131819389.db2.gz QCLNDKNRAFOMFW-IBGZPJMESA-N 2 1 344.861 3.896 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172772890 1131842543 /nfs/dbraw/zinc/84/25/43/1131842543.db2.gz IXQXWBVZUJQMAY-QUCCMNQESA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172772890 1131842551 /nfs/dbraw/zinc/84/25/51/1131842551.db2.gz IXQXWBVZUJQMAY-QUCCMNQESA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172772890 1131842557 /nfs/dbraw/zinc/84/25/57/1131842557.db2.gz IXQXWBVZUJQMAY-QUCCMNQESA-N 2 1 346.515 3.561 20 0 EHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC001204102609 1131882375 /nfs/dbraw/zinc/88/23/75/1131882375.db2.gz DILSQEXRGLPRKJ-ZDUSSCGKSA-N 2 1 343.309 3.668 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743388608 1131908473 /nfs/dbraw/zinc/90/84/73/1131908473.db2.gz UNDWWLKVKCQOBA-INIZCTEOSA-N 2 1 329.513 3.992 20 0 EHADMP CCCOC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173097185 1131953110 /nfs/dbraw/zinc/95/31/10/1131953110.db2.gz IQBFEGUPKHFHGJ-YXWAVELNSA-N 2 1 348.556 3.850 20 0 EHADMP CCOC(=O)C[N@@H+](Cc1ccccc1)C1CCC([NH+](CC)CC)CC1 ZINC001173108006 1131969275 /nfs/dbraw/zinc/96/92/75/1131969275.db2.gz AYKAZEFYMFOVBU-UHFFFAOYSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173109827 1131970004 /nfs/dbraw/zinc/97/00/04/1131970004.db2.gz LSAWIYAMRASTIV-QLOJAFMTSA-N 2 1 338.536 3.695 20 0 EHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173133746 1131977478 /nfs/dbraw/zinc/97/74/78/1131977478.db2.gz XLOOAVKXTHDTKP-ZDUSSCGKSA-N 2 1 347.915 3.604 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001173449010 1132079464 /nfs/dbraw/zinc/07/94/64/1132079464.db2.gz RLHBQEGWFBHXPB-HBFSDRIKSA-N 2 1 346.515 3.609 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001173449010 1132079470 /nfs/dbraw/zinc/07/94/70/1132079470.db2.gz RLHBQEGWFBHXPB-HBFSDRIKSA-N 2 1 346.515 3.609 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206211397 1132119686 /nfs/dbraw/zinc/11/96/86/1132119686.db2.gz OACZXGWDKCEZCX-RBUKOAKNSA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211397 1132119692 /nfs/dbraw/zinc/11/96/92/1132119692.db2.gz OACZXGWDKCEZCX-RBUKOAKNSA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211397 1132119695 /nfs/dbraw/zinc/11/96/95/1132119695.db2.gz OACZXGWDKCEZCX-RBUKOAKNSA-N 2 1 346.421 3.763 20 0 EHADMP C[N@H+](CC1CCC2(CC2)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014416 1132529577 /nfs/dbraw/zinc/52/95/77/1132529577.db2.gz DUCPFBWYFUZIIQ-QFIPXVFZSA-N 2 1 342.527 3.526 20 0 EHADMP C[N@@H+](CC1CCC2(CC2)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014416 1132529582 /nfs/dbraw/zinc/52/95/82/1132529582.db2.gz DUCPFBWYFUZIIQ-QFIPXVFZSA-N 2 1 342.527 3.526 20 0 EHADMP C[NH+](CC1CCC2(CC2)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001175014416 1132529584 /nfs/dbraw/zinc/52/95/84/1132529584.db2.gz DUCPFBWYFUZIIQ-QFIPXVFZSA-N 2 1 342.527 3.526 20 0 EHADMP C[NH+](CC1CCC2(CC2)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001175014416 1132529590 /nfs/dbraw/zinc/52/95/90/1132529590.db2.gz DUCPFBWYFUZIIQ-QFIPXVFZSA-N 2 1 342.527 3.526 20 0 EHADMP CCOC(=O)[C@@H](CC(C)C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062420 1132539143 /nfs/dbraw/zinc/53/91/43/1132539143.db2.gz PSMCBLGQNIJNHG-LJQANCHMSA-N 2 1 334.504 3.548 20 0 EHADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062420 1132539148 /nfs/dbraw/zinc/53/91/48/1132539148.db2.gz PSMCBLGQNIJNHG-LJQANCHMSA-N 2 1 334.504 3.548 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC001205996518 1132635853 /nfs/dbraw/zinc/63/58/53/1132635853.db2.gz WYRLRQKOKNQJMI-ZFWWWQNUSA-N 2 1 325.294 3.564 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)C2 ZINC001169098866 1132654801 /nfs/dbraw/zinc/65/48/01/1132654801.db2.gz LVFYBYSPKWLNLG-WKCHPHFGSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)C2 ZINC001169098866 1132654802 /nfs/dbraw/zinc/65/48/02/1132654802.db2.gz LVFYBYSPKWLNLG-WKCHPHFGSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099570 1132656321 /nfs/dbraw/zinc/65/63/21/1132656321.db2.gz BTAGQBYMFCLHJP-AXVVYFOYSA-N 2 1 332.463 3.508 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Br)c1 ZINC001169116936 1132661826 /nfs/dbraw/zinc/66/18/26/1132661826.db2.gz UGFXAUKYEVMQKI-DOERSZECSA-N 2 1 341.268 3.864 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169111158 1132671707 /nfs/dbraw/zinc/67/17/07/1132671707.db2.gz NUFXMVOKQCOLQM-VDNDLQMASA-N 2 1 337.305 3.595 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001169115337 1132673177 /nfs/dbraw/zinc/67/31/77/1132673177.db2.gz IVROPHXSANRXFC-ZJPYXAASSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162982 1132684800 /nfs/dbraw/zinc/68/48/00/1132684800.db2.gz WAZHXMHJGZIBDA-MXTNKPTQSA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162982 1132684804 /nfs/dbraw/zinc/68/48/04/1132684804.db2.gz WAZHXMHJGZIBDA-MXTNKPTQSA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162982 1132684808 /nfs/dbraw/zinc/68/48/08/1132684808.db2.gz WAZHXMHJGZIBDA-MXTNKPTQSA-N 2 1 328.475 3.731 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)CC1 ZINC001169230305 1132702356 /nfs/dbraw/zinc/70/23/56/1132702356.db2.gz XGDFBNVIKGLSLX-YADHBBJMSA-N 2 1 336.479 3.989 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(Cc3ccncc3)CCC(F)(F)CC2)CC1 ZINC001169241644 1132707120 /nfs/dbraw/zinc/70/71/20/1132707120.db2.gz XSYZSCXNUYYIPW-UHFFFAOYSA-N 2 1 337.458 3.646 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206005511 1132708098 /nfs/dbraw/zinc/70/80/98/1132708098.db2.gz YJEJAQXBINYXGA-KGLIPLIRSA-N 2 1 325.294 3.564 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC(Cc3cnc4ccccc4c3)CC2)CC1 ZINC001169268698 1132719370 /nfs/dbraw/zinc/71/93/70/1132719370.db2.gz OGVIQZKVVARVDJ-UHFFFAOYSA-N 2 1 337.511 3.974 20 0 EHADMP CCC[C@@](C)([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891246 1133007551 /nfs/dbraw/zinc/00/75/51/1133007551.db2.gz CIABDTMUOXFJMM-FGZHOGPDSA-N 2 1 340.511 3.784 20 0 EHADMP CCC[C@@](C)([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891246 1133007558 /nfs/dbraw/zinc/00/75/58/1133007558.db2.gz CIABDTMUOXFJMM-FGZHOGPDSA-N 2 1 340.511 3.784 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001206296541 1133041384 /nfs/dbraw/zinc/04/13/84/1133041384.db2.gz UFCMOPIPCLAEIS-QGZVFWFLSA-N 2 1 339.321 3.833 20 0 EHADMP CCC1CCC([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001177222386 1133042001 /nfs/dbraw/zinc/04/20/01/1133042001.db2.gz ITZMJRLOUJMXMY-VTLFHKLASA-N 2 1 343.559 3.924 20 0 EHADMP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222710 1133042600 /nfs/dbraw/zinc/04/26/00/1133042600.db2.gz MOFCEEFJFNEHBN-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222710 1133042607 /nfs/dbraw/zinc/04/26/07/1133042607.db2.gz MOFCEEFJFNEHBN-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CCc2nc(C[NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)sc2C1 ZINC001177299499 1133048078 /nfs/dbraw/zinc/04/80/78/1133048078.db2.gz STIKMMNKRFBSLR-CVEARBPZSA-N 2 1 335.561 3.870 20 0 EHADMP CCCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001177262528 1133049382 /nfs/dbraw/zinc/04/93/82/1133049382.db2.gz UYAMOVATDFVRET-GOSISDBHSA-N 2 1 340.515 3.957 20 0 EHADMP CCCn1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001177262528 1133049389 /nfs/dbraw/zinc/04/93/89/1133049389.db2.gz UYAMOVATDFVRET-GOSISDBHSA-N 2 1 340.515 3.957 20 0 EHADMP CC1(C)CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)N1O ZINC001169975821 1133055691 /nfs/dbraw/zinc/05/56/91/1133055691.db2.gz XJGJCADAHAGIPW-GOSISDBHSA-N 2 1 345.531 3.509 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3nccs3)cc2)CC1 ZINC001178037599 1133130851 /nfs/dbraw/zinc/13/08/51/1133130851.db2.gz RJPUNNCAPGLHAF-UHFFFAOYSA-N 2 1 330.501 3.533 20 0 EHADMP CC1(C)CC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC(C)(C)N1O ZINC001169994618 1133172474 /nfs/dbraw/zinc/17/24/74/1133172474.db2.gz GCWCLGDZCKJCRB-UHFFFAOYSA-N 2 1 349.563 3.738 20 0 EHADMP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C(=O)OC(C)(C)C ZINC001179034360 1133224588 /nfs/dbraw/zinc/22/45/88/1133224588.db2.gz DXFRWKYNVKTZOH-KRWDZBQOSA-N 2 1 348.531 3.712 20 0 EHADMP C[N@H+](Cc1ccc2c(c1)COC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402177 1133277315 /nfs/dbraw/zinc/27/73/15/1133277315.db2.gz CSXSPNKPLQAAQK-HXUWFJFHSA-N 2 1 336.479 3.671 20 0 EHADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402177 1133277321 /nfs/dbraw/zinc/27/73/21/1133277321.db2.gz CSXSPNKPLQAAQK-HXUWFJFHSA-N 2 1 336.479 3.671 20 0 EHADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402177 1133277326 /nfs/dbraw/zinc/27/73/26/1133277326.db2.gz CSXSPNKPLQAAQK-HXUWFJFHSA-N 2 1 336.479 3.671 20 0 EHADMP Cc1c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484834 1133289479 /nfs/dbraw/zinc/28/94/79/1133289479.db2.gz MEPQOVCEJGDZIP-NHYWBVRUSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484834 1133289484 /nfs/dbraw/zinc/28/94/84/1133289484.db2.gz MEPQOVCEJGDZIP-NHYWBVRUSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484834 1133289489 /nfs/dbraw/zinc/28/94/89/1133289489.db2.gz MEPQOVCEJGDZIP-NHYWBVRUSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484834 1133289492 /nfs/dbraw/zinc/28/94/92/1133289492.db2.gz MEPQOVCEJGDZIP-NHYWBVRUSA-N 2 1 332.517 3.531 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@H]1C ZINC000769471514 1133298317 /nfs/dbraw/zinc/29/83/17/1133298317.db2.gz UYKZXXFOJCYAQL-MLGOLLRUSA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@H]1C ZINC000769471514 1133298322 /nfs/dbraw/zinc/29/83/22/1133298322.db2.gz UYKZXXFOJCYAQL-MLGOLLRUSA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@H]1C ZINC000769471514 1133298328 /nfs/dbraw/zinc/29/83/28/1133298328.db2.gz UYKZXXFOJCYAQL-MLGOLLRUSA-N 2 1 346.544 3.921 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514808 1133307571 /nfs/dbraw/zinc/30/75/71/1133307571.db2.gz LRGOZTZNWKBMOH-FQEVSTJZSA-N 2 1 341.543 3.841 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514808 1133307576 /nfs/dbraw/zinc/30/75/76/1133307576.db2.gz LRGOZTZNWKBMOH-FQEVSTJZSA-N 2 1 341.543 3.841 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514808 1133307581 /nfs/dbraw/zinc/30/75/81/1133307581.db2.gz LRGOZTZNWKBMOH-FQEVSTJZSA-N 2 1 341.543 3.841 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514808 1133307584 /nfs/dbraw/zinc/30/75/84/1133307584.db2.gz LRGOZTZNWKBMOH-FQEVSTJZSA-N 2 1 341.543 3.841 20 0 EHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC001179989132 1133310421 /nfs/dbraw/zinc/31/04/21/1133310421.db2.gz LLAJCSVPWQZXJD-OALUTQOASA-N 2 1 341.543 3.554 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4c3OCC4)C2)CC1 ZINC001180029863 1133318740 /nfs/dbraw/zinc/31/87/40/1133318740.db2.gz GNJSYTUYGBXXIB-GOSISDBHSA-N 2 1 328.500 3.565 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4c3OCC4)C2)CC1 ZINC001180029863 1133318744 /nfs/dbraw/zinc/31/87/44/1133318744.db2.gz GNJSYTUYGBXXIB-GOSISDBHSA-N 2 1 328.500 3.565 20 0 EHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCCCCCC1 ZINC001180311033 1133355368 /nfs/dbraw/zinc/35/53/68/1133355368.db2.gz WGRSAUXLYLDRQO-OAQYLSRUSA-N 2 1 330.516 3.846 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001181222071 1133471713 /nfs/dbraw/zinc/47/17/13/1133471713.db2.gz DNNHTBSDQOHMNU-BQJUDKOJSA-N 2 1 344.543 3.816 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534029 1133498657 /nfs/dbraw/zinc/49/86/57/1133498657.db2.gz DXWWFGIHJBDWHP-UYAOXDASSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534029 1133498659 /nfs/dbraw/zinc/49/86/59/1133498659.db2.gz DXWWFGIHJBDWHP-UYAOXDASSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534029 1133498661 /nfs/dbraw/zinc/49/86/61/1133498661.db2.gz DXWWFGIHJBDWHP-UYAOXDASSA-N 2 1 337.467 3.790 20 0 EHADMP COc1cccc(COc2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c1 ZINC001181555268 1133500144 /nfs/dbraw/zinc/50/01/44/1133500144.db2.gz KIJMCYULUTZQSQ-UHFFFAOYSA-N 2 1 342.483 3.658 20 0 EHADMP COc1cccc(COc2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c1 ZINC001181555268 1133500148 /nfs/dbraw/zinc/50/01/48/1133500148.db2.gz KIJMCYULUTZQSQ-UHFFFAOYSA-N 2 1 342.483 3.658 20 0 EHADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC001181717088 1133515604 /nfs/dbraw/zinc/51/56/04/1133515604.db2.gz AGEPDVVSYRAILY-QFIPXVFZSA-N 2 1 338.495 3.564 20 0 EHADMP CC(C)[C@@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](CO)C(C)C ZINC001181891583 1133547961 /nfs/dbraw/zinc/54/79/61/1133547961.db2.gz CPEGFZXOUXIOBM-PSWRPDDJSA-N 2 1 346.559 3.776 20 0 EHADMP [NH3+]CCC1CC[NH+](Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001206500678 1133634448 /nfs/dbraw/zinc/63/44/48/1133634448.db2.gz OTFRSHSIPRFMLX-UHFFFAOYSA-N 2 1 336.785 3.799 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482874 1133688123 /nfs/dbraw/zinc/68/81/23/1133688123.db2.gz FIHLTWSQMQWHSJ-BWAGFHJFSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482874 1133688126 /nfs/dbraw/zinc/68/81/26/1133688126.db2.gz FIHLTWSQMQWHSJ-BWAGFHJFSA-N 2 1 338.495 3.671 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC001183428890 1133804829 /nfs/dbraw/zinc/80/48/29/1133804829.db2.gz MILVTNDEADCSCH-KSEOMHKRSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC001183428890 1133804834 /nfs/dbraw/zinc/80/48/34/1133804834.db2.gz MILVTNDEADCSCH-KSEOMHKRSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC001183428888 1133805490 /nfs/dbraw/zinc/80/54/90/1133805490.db2.gz MILVTNDEADCSCH-CEMLEFRQSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC001183428888 1133805494 /nfs/dbraw/zinc/80/54/94/1133805494.db2.gz MILVTNDEADCSCH-CEMLEFRQSA-N 2 1 342.527 3.885 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC001183960093 1133882227 /nfs/dbraw/zinc/88/22/27/1133882227.db2.gz VQOFBLUQBVVURE-OXQOHEQNSA-N 2 1 328.500 3.754 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000746671310 1133989339 /nfs/dbraw/zinc/98/93/39/1133989339.db2.gz HXVUDYAXWKGWSZ-FQEVSTJZSA-N 2 1 336.495 3.611 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000746671311 1133989943 /nfs/dbraw/zinc/98/99/43/1133989943.db2.gz HXVUDYAXWKGWSZ-HXUWFJFHSA-N 2 1 336.495 3.611 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788244592 1134099026 /nfs/dbraw/zinc/09/90/26/1134099026.db2.gz NTKYXVSBJSOVJC-IAGOWNOFSA-N 2 1 341.540 3.532 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001170121777 1134344084 /nfs/dbraw/zinc/34/40/84/1134344084.db2.gz NZEBPKBVDXHFKX-KNTRFNDTSA-N 2 1 344.499 3.734 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001170134430 1134408572 /nfs/dbraw/zinc/40/85/72/1134408572.db2.gz BYUMYGYXWMWAKB-SQNIBIBYSA-N 2 1 348.556 3.992 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001190317207 1134679362 /nfs/dbraw/zinc/67/93/62/1134679362.db2.gz BGQNRBXJIHOCBI-OAQYLSRUSA-N 2 1 335.580 3.837 20 0 EHADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001190317207 1134679366 /nfs/dbraw/zinc/67/93/66/1134679366.db2.gz BGQNRBXJIHOCBI-OAQYLSRUSA-N 2 1 335.580 3.837 20 0 EHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194243 1134710632 /nfs/dbraw/zinc/71/06/32/1134710632.db2.gz NMFSLVXXEJKOND-CADBVGFASA-N 2 1 334.479 3.855 20 0 EHADMP CC[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170234538 1134716742 /nfs/dbraw/zinc/71/67/42/1134716742.db2.gz ITRONZDTHBQABN-LEWJYISDSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCO1 ZINC001170225396 1134723355 /nfs/dbraw/zinc/72/33/55/1134723355.db2.gz XKTYMZXLWFIPQE-RBUKOAKNSA-N 2 1 332.488 3.525 20 0 EHADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001170261839 1134727061 /nfs/dbraw/zinc/72/70/61/1134727061.db2.gz SBOVBYNPSVIEBX-HNNXBMFYSA-N 3 1 339.955 3.746 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[Si](C)(C)c3ccccc3)C2)CC1 ZINC001190650411 1134731414 /nfs/dbraw/zinc/73/14/14/1134731414.db2.gz CSVRGLUMELLFFR-FQEVSTJZSA-N 2 1 344.619 3.585 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001170407963 1134770697 /nfs/dbraw/zinc/77/06/97/1134770697.db2.gz PVXAVPNLIIIRKU-FUHWJXTLSA-N 2 1 332.488 3.591 20 0 EHADMP Fc1ncccc1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000793281357 1134900558 /nfs/dbraw/zinc/90/05/58/1134900558.db2.gz OPELPIHHHLOBSH-HSALFYBXSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000793281357 1134900566 /nfs/dbraw/zinc/90/05/66/1134900566.db2.gz OPELPIHHHLOBSH-HSALFYBXSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000793281357 1134900573 /nfs/dbraw/zinc/90/05/73/1134900573.db2.gz OPELPIHHHLOBSH-HSALFYBXSA-N 2 1 339.458 3.611 20 0 EHADMP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000793538290 1134951189 /nfs/dbraw/zinc/95/11/89/1134951189.db2.gz BKBPYRPNNYXKCI-VXKWHMMOSA-N 2 1 342.527 3.549 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1F ZINC001205578895 1134962953 /nfs/dbraw/zinc/96/29/53/1134962953.db2.gz JSCKNGKKQJMQMO-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP C[C@H]([NH2+][C@H](CCO)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509091 1134975656 /nfs/dbraw/zinc/97/56/56/1134975656.db2.gz HMNKRDZBVDXIOA-YTQUADARSA-N 2 1 344.524 3.672 20 0 EHADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205602509 1135026048 /nfs/dbraw/zinc/02/60/48/1135026048.db2.gz IZFUREKFCDHMAF-ZBFHGGJFSA-N 2 1 339.321 3.689 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205626545 1135121194 /nfs/dbraw/zinc/12/11/94/1135121194.db2.gz HBVWJMFIOHYBAT-KGLIPLIRSA-N 2 1 325.294 3.564 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC001193649241 1135166443 /nfs/dbraw/zinc/16/64/43/1135166443.db2.gz MYMSMPRIKSINFO-LPHOPBHVSA-N 2 1 338.923 3.875 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC001193649241 1135166450 /nfs/dbraw/zinc/16/64/50/1135166450.db2.gz MYMSMPRIKSINFO-LPHOPBHVSA-N 2 1 338.923 3.875 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc([Si](C)(C)C)cc3)C2)CC1 ZINC001193873179 1135200103 /nfs/dbraw/zinc/20/01/03/1135200103.db2.gz TTZDDAJOASFIMZ-UHFFFAOYSA-N 2 1 330.592 3.540 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1 ZINC001194268394 1135252685 /nfs/dbraw/zinc/25/26/85/1135252685.db2.gz HFPBRRSJAUYUDS-IFMALSPDSA-N 2 1 342.527 3.790 20 0 EHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505751 1135280159 /nfs/dbraw/zinc/28/01/59/1135280159.db2.gz UVCAACMVSRYPQL-KRWDZBQOSA-N 2 1 343.298 3.790 20 0 EHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505751 1135280164 /nfs/dbraw/zinc/28/01/64/1135280164.db2.gz UVCAACMVSRYPQL-KRWDZBQOSA-N 2 1 343.298 3.790 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505751 1135280169 /nfs/dbraw/zinc/28/01/69/1135280169.db2.gz UVCAACMVSRYPQL-KRWDZBQOSA-N 2 1 343.298 3.790 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C2 ZINC001194505751 1135280172 /nfs/dbraw/zinc/28/01/72/1135280172.db2.gz UVCAACMVSRYPQL-KRWDZBQOSA-N 2 1 343.298 3.790 20 0 EHADMP CC(C)CC(=O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000828525237 1135505270 /nfs/dbraw/zinc/50/52/70/1135505270.db2.gz LMOZWYZYNMRBOO-NRFANRHFSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)CC(=O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000828525237 1135505275 /nfs/dbraw/zinc/50/52/75/1135505275.db2.gz LMOZWYZYNMRBOO-NRFANRHFSA-N 2 1 328.500 3.590 20 0 EHADMP COCC[N@H+](Cc1cc(Cl)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001196781919 1135614625 /nfs/dbraw/zinc/61/46/25/1135614625.db2.gz KXBQVPYJEGQMKE-UHFFFAOYSA-N 2 1 345.314 3.784 20 0 EHADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001197193945 1135657588 /nfs/dbraw/zinc/65/75/88/1135657588.db2.gz HTXPRFYRTOODQQ-IBGZPJMESA-N 2 1 338.923 3.673 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001199721080 1135922584 /nfs/dbraw/zinc/92/25/84/1135922584.db2.gz DFQKJGOJBRSWBZ-PMACEKPBSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001199721080 1135922587 /nfs/dbraw/zinc/92/25/87/1135922587.db2.gz DFQKJGOJBRSWBZ-PMACEKPBSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199721080 1135922589 /nfs/dbraw/zinc/92/25/89/1135922589.db2.gz DFQKJGOJBRSWBZ-PMACEKPBSA-N 2 1 345.575 3.855 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810128740 1135924495 /nfs/dbraw/zinc/92/44/95/1135924495.db2.gz IUBMCUJYWYLJQG-QGZVFWFLSA-N 2 1 331.504 3.586 20 0 EHADMP CCn1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC001199823485 1135933182 /nfs/dbraw/zinc/93/31/82/1135933182.db2.gz SDPBQJDEDKOEMB-UHFFFAOYSA-N 2 1 326.488 3.569 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000105442569 1135948022 /nfs/dbraw/zinc/94/80/22/1135948022.db2.gz YXZUVYKVYRWQAM-MRXNPFEDSA-N 2 1 327.472 3.939 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(C)c1Br ZINC001205914246 1136000590 /nfs/dbraw/zinc/00/05/90/1136000590.db2.gz LVDNBASLJYAQJF-UKRRQHHQSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(C)c1Br ZINC001205914246 1136000594 /nfs/dbraw/zinc/00/05/94/1136000594.db2.gz LVDNBASLJYAQJF-UKRRQHHQSA-N 2 1 325.294 3.625 20 0 EHADMP CC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001201510063 1136030441 /nfs/dbraw/zinc/03/04/41/1136030441.db2.gz WTKBSHTXTNIPTM-SFHVURJKSA-N 2 1 330.516 3.708 20 0 EHADMP CCC(CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201525856 1136037943 /nfs/dbraw/zinc/03/79/43/1136037943.db2.gz MGWKCXMESBSDFT-YADHBBJMSA-N 2 1 348.575 3.883 20 0 EHADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201525856 1136037947 /nfs/dbraw/zinc/03/79/47/1136037947.db2.gz MGWKCXMESBSDFT-YADHBBJMSA-N 2 1 348.575 3.883 20 0 EHADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201525856 1136037949 /nfs/dbraw/zinc/03/79/49/1136037949.db2.gz MGWKCXMESBSDFT-YADHBBJMSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001201954378 1136077599 /nfs/dbraw/zinc/07/75/99/1136077599.db2.gz NKUJFIGMFXOGPJ-YUXAGFNASA-N 2 1 344.543 3.948 20 0 EHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202161354 1136103160 /nfs/dbraw/zinc/10/31/60/1136103160.db2.gz RNODBMPQEUBTQL-UHFFFAOYSA-N 2 1 327.516 3.948 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202167008 1136104737 /nfs/dbraw/zinc/10/47/37/1136104737.db2.gz IVVDKROECAYSOT-SESVDKBCSA-N 2 1 327.516 3.804 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202167008 1136104738 /nfs/dbraw/zinc/10/47/38/1136104738.db2.gz IVVDKROECAYSOT-SESVDKBCSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@@H]21 ZINC001202167008 1136104739 /nfs/dbraw/zinc/10/47/39/1136104739.db2.gz IVVDKROECAYSOT-SESVDKBCSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC001202167008 1136104740 /nfs/dbraw/zinc/10/47/40/1136104740.db2.gz IVVDKROECAYSOT-SESVDKBCSA-N 2 1 327.516 3.804 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049011 1136164472 /nfs/dbraw/zinc/16/44/72/1136164472.db2.gz UYPWJXSTVGJARY-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049011 1136164473 /nfs/dbraw/zinc/16/44/73/1136164473.db2.gz UYPWJXSTVGJARY-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049011 1136164474 /nfs/dbraw/zinc/16/44/74/1136164474.db2.gz UYPWJXSTVGJARY-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049011 1136164476 /nfs/dbraw/zinc/16/44/76/1136164476.db2.gz UYPWJXSTVGJARY-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP COC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000813881251 1136372973 /nfs/dbraw/zinc/37/29/73/1136372973.db2.gz MVMQLNIQDAAFHE-VTHDOGFWSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)C[C@@H]21 ZINC001170749152 1136459675 /nfs/dbraw/zinc/45/96/75/1136459675.db2.gz CMHANNWLNURCMY-OWZKRDHZSA-N 2 1 339.527 3.804 20 0 EHADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccnn2C)c1 ZINC000338946799 1136461417 /nfs/dbraw/zinc/46/14/17/1136461417.db2.gz DHSNRLCYTWXYNP-IBGZPJMESA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2ccnn2C)c1 ZINC000338946799 1136461418 /nfs/dbraw/zinc/46/14/18/1136461418.db2.gz DHSNRLCYTWXYNP-IBGZPJMESA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2ccnn2C)c1 ZINC000338946799 1136461420 /nfs/dbraw/zinc/46/14/20/1136461420.db2.gz DHSNRLCYTWXYNP-IBGZPJMESA-N 2 1 340.515 3.702 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@H]1C ZINC000338950146 1136478740 /nfs/dbraw/zinc/47/87/40/1136478740.db2.gz WKQRZDRTYATHIT-IEBWSBKVSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@H]1C ZINC000338950146 1136478743 /nfs/dbraw/zinc/47/87/43/1136478743.db2.gz WKQRZDRTYATHIT-IEBWSBKVSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@H]1C ZINC000338950146 1136478745 /nfs/dbraw/zinc/47/87/45/1136478745.db2.gz WKQRZDRTYATHIT-IEBWSBKVSA-N 2 1 340.515 3.700 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852728353 1136480346 /nfs/dbraw/zinc/48/03/46/1136480346.db2.gz ASNDOYRGOWSWEB-QZTJIDSGSA-N 2 1 335.879 3.583 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@@H]2CCCOCC2)CC1 ZINC001170801156 1136635973 /nfs/dbraw/zinc/63/59/73/1136635973.db2.gz POCCTKYGBPMHIZ-GUDVDZBRSA-N 2 1 336.907 3.981 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000429527623 1136751558 /nfs/dbraw/zinc/75/15/58/1136751558.db2.gz MXBGNVYDOQXKNR-CMKODMSKSA-N 2 1 330.516 3.834 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000429527623 1136751560 /nfs/dbraw/zinc/75/15/60/1136751560.db2.gz MXBGNVYDOQXKNR-CMKODMSKSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC3CCC3)C2)ccn1 ZINC000856584139 1136797269 /nfs/dbraw/zinc/79/72/69/1136797269.db2.gz YPEIEKWOHMLABE-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC3CCC3)C2)ccn1 ZINC000856584139 1136797272 /nfs/dbraw/zinc/79/72/72/1136797272.db2.gz YPEIEKWOHMLABE-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC3CCC3)C2)ccn1 ZINC000856584139 1136797276 /nfs/dbraw/zinc/79/72/76/1136797276.db2.gz YPEIEKWOHMLABE-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000429534114 1136797663 /nfs/dbraw/zinc/79/76/63/1136797663.db2.gz YVGWJAYUXVZVLE-HNNXBMFYSA-N 2 1 331.287 3.788 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000429534114 1136797666 /nfs/dbraw/zinc/79/76/66/1136797666.db2.gz YVGWJAYUXVZVLE-HNNXBMFYSA-N 2 1 331.287 3.788 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000856591284 1136798465 /nfs/dbraw/zinc/79/84/65/1136798465.db2.gz LZJQEXAZNJSVKU-UWJYYQICSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000856591284 1136798468 /nfs/dbraw/zinc/79/84/68/1136798468.db2.gz LZJQEXAZNJSVKU-UWJYYQICSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000856591284 1136798471 /nfs/dbraw/zinc/79/84/71/1136798471.db2.gz LZJQEXAZNJSVKU-UWJYYQICSA-N 2 1 339.483 3.748 20 0 EHADMP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c(Cl)n1 ZINC000856768685 1136808514 /nfs/dbraw/zinc/80/85/14/1136808514.db2.gz ZMCKVGCHXYAWIC-UHFFFAOYSA-N 2 1 346.906 3.739 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C)nc2Cl)CC1)CC(C)C ZINC000857046741 1136837212 /nfs/dbraw/zinc/83/72/12/1136837212.db2.gz QFFBEHYKGPKTKN-UHFFFAOYSA-N 2 1 340.943 3.654 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2Cl)CC1)CC(C)C ZINC000857046741 1136837214 /nfs/dbraw/zinc/83/72/14/1136837214.db2.gz QFFBEHYKGPKTKN-UHFFFAOYSA-N 2 1 340.943 3.654 20 0 EHADMP Clc1ccc2c(c1Cl)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817926338 1136846891 /nfs/dbraw/zinc/84/68/91/1136846891.db2.gz FWZHFXOPMHKFDU-VTKXWYFXSA-N 2 1 327.255 3.690 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818959584 1136895480 /nfs/dbraw/zinc/89/54/80/1136895480.db2.gz OFBJFWHJSYFJGA-KSSFIOAISA-N 2 1 342.886 3.614 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818988481 1136897356 /nfs/dbraw/zinc/89/73/56/1136897356.db2.gz QXMUPRCJQWOPQI-XLIONFOSSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818988481 1136897359 /nfs/dbraw/zinc/89/73/59/1136897359.db2.gz QXMUPRCJQWOPQI-XLIONFOSSA-N 2 1 344.524 3.592 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001136174252 1136901049 /nfs/dbraw/zinc/90/10/49/1136901049.db2.gz GZDXIEYBCUCRJF-LJQANCHMSA-N 2 1 331.504 3.587 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000858195567 1136948719 /nfs/dbraw/zinc/94/87/19/1136948719.db2.gz WQOSYRRWOGHXSM-FGTMMUONSA-N 2 1 338.923 3.860 20 0 EHADMP CN(c1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1)C1CC[NH+](C)CC1 ZINC000858388091 1136963728 /nfs/dbraw/zinc/96/37/28/1136963728.db2.gz SDYKQVKHGNPYJP-SFHVURJKSA-N 2 1 344.547 3.502 20 0 EHADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccn1 ZINC000859313929 1137011492 /nfs/dbraw/zinc/01/14/92/1137011492.db2.gz LOJABUBVPZXPJR-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171062008 1137148138 /nfs/dbraw/zinc/14/81/38/1137148138.db2.gz CNCVQSJCEAXUDE-HNNXBMFYSA-N 2 1 327.299 3.925 20 0 EHADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000824767087 1137151008 /nfs/dbraw/zinc/15/10/08/1137151008.db2.gz ZMZCXZVEEWYCPB-MRXNPFEDSA-N 2 1 327.299 3.825 20 0 EHADMP CC(C)CC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000863659019 1137197286 /nfs/dbraw/zinc/19/72/86/1137197286.db2.gz ZFFRGANPGSYNEF-KRWDZBQOSA-N 2 1 328.460 3.768 20 0 EHADMP CC(C)CC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000863662300 1137197627 /nfs/dbraw/zinc/19/76/27/1137197627.db2.gz RSTCFICVNMAJOW-KRWDZBQOSA-N 2 1 328.460 3.768 20 0 EHADMP COCc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000339060413 1137198115 /nfs/dbraw/zinc/19/81/15/1137198115.db2.gz RMVPLKXFWFGXQE-UHFFFAOYSA-N 2 1 339.483 3.576 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)cc1 ZINC000863690129 1137199530 /nfs/dbraw/zinc/19/95/30/1137199530.db2.gz LDLRXDOQABKTCT-SSKFGXFMSA-N 2 1 336.479 3.733 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3(O)CCCCC3)C2)s1 ZINC000844325587 1137212814 /nfs/dbraw/zinc/21/28/14/1137212814.db2.gz AJNHKWKZFMUADK-KRWDZBQOSA-N 2 1 336.545 3.505 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3(O)CCCCC3)C2)s1 ZINC000844325587 1137212816 /nfs/dbraw/zinc/21/28/16/1137212816.db2.gz AJNHKWKZFMUADK-KRWDZBQOSA-N 2 1 336.545 3.505 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3(O)CCCCC3)C2)s1 ZINC000844325587 1137212817 /nfs/dbraw/zinc/21/28/17/1137212817.db2.gz AJNHKWKZFMUADK-KRWDZBQOSA-N 2 1 336.545 3.505 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cnc1Cl ZINC000865447049 1137284758 /nfs/dbraw/zinc/28/47/58/1137284758.db2.gz KFNFRHZSWBDGIG-INIZCTEOSA-N 2 1 347.865 3.528 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cnc1Cl ZINC000865447049 1137284760 /nfs/dbraw/zinc/28/47/60/1137284760.db2.gz KFNFRHZSWBDGIG-INIZCTEOSA-N 2 1 347.865 3.528 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CCSC2)C3)cc1 ZINC000866403398 1137352253 /nfs/dbraw/zinc/35/22/53/1137352253.db2.gz SQEQUDXQIDVXBR-YSTOQKLRSA-N 2 1 330.541 3.915 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846847300 1137371554 /nfs/dbraw/zinc/37/15/54/1137371554.db2.gz HEWAHRVIPZVQBL-YOEHRIQHSA-N 2 1 347.865 3.874 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846847300 1137371556 /nfs/dbraw/zinc/37/15/56/1137371556.db2.gz HEWAHRVIPZVQBL-YOEHRIQHSA-N 2 1 347.865 3.874 20 0 EHADMP O[C@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000866637312 1137371666 /nfs/dbraw/zinc/37/16/66/1137371666.db2.gz GATZFHUJMBOELB-CIAFKFPVSA-N 2 1 342.527 3.713 20 0 EHADMP Clc1cncc(Cl)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666991 1137372911 /nfs/dbraw/zinc/37/29/11/1137372911.db2.gz ZKAQBYGMDRUGGF-STQMWFEESA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666991 1137372913 /nfs/dbraw/zinc/37/29/13/1137372913.db2.gz ZKAQBYGMDRUGGF-STQMWFEESA-N 2 1 328.287 3.600 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000773029512 1137460426 /nfs/dbraw/zinc/46/04/26/1137460426.db2.gz JUEITHJHFYDLCF-SJLPKXTDSA-N 2 1 340.458 3.629 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000712394425 1137468066 /nfs/dbraw/zinc/46/80/66/1137468066.db2.gz AACMJHNNZDQJNI-HOJAQTOUSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000712394425 1137468068 /nfs/dbraw/zinc/46/80/68/1137468068.db2.gz AACMJHNNZDQJNI-HOJAQTOUSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000715297671 1137476363 /nfs/dbraw/zinc/47/63/63/1137476363.db2.gz YVMYNZPQIDSQBE-DWOCFRCJSA-N 3 1 343.559 3.892 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000715297671 1137476364 /nfs/dbraw/zinc/47/63/64/1137476364.db2.gz YVMYNZPQIDSQBE-DWOCFRCJSA-N 3 1 343.559 3.892 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000715297673 1137476367 /nfs/dbraw/zinc/47/63/67/1137476367.db2.gz YVMYNZPQIDSQBE-PMJAUZGISA-N 3 1 343.559 3.892 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000715297673 1137476368 /nfs/dbraw/zinc/47/63/68/1137476368.db2.gz YVMYNZPQIDSQBE-PMJAUZGISA-N 3 1 343.559 3.892 20 0 EHADMP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624480 1137487839 /nfs/dbraw/zinc/48/78/39/1137487839.db2.gz HJBBQQYASPQFJH-LLLHUVSDSA-N 2 1 326.406 3.970 20 0 EHADMP FC(F)(F)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716626746 1137487896 /nfs/dbraw/zinc/48/78/96/1137487896.db2.gz QJMQNEKXBUJDHA-ULQDDVLXSA-N 2 1 326.406 3.972 20 0 EHADMP Cc1cccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716708577 1137488535 /nfs/dbraw/zinc/48/85/35/1137488535.db2.gz RCHROVLMKOJLDY-BVSLBCMMSA-N 2 1 335.495 3.575 20 0 EHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1nccs1 ZINC000716701608 1137488626 /nfs/dbraw/zinc/48/86/26/1137488626.db2.gz SCALWDOGDDXUMJ-WNHJNPCNSA-N 2 1 341.524 3.889 20 0 EHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H](C)C1 ZINC001171527538 1137496694 /nfs/dbraw/zinc/49/66/94/1137496694.db2.gz COUQGTSMHYMODO-HACGYAERSA-N 2 1 340.433 3.670 20 0 EHADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628914 1137499476 /nfs/dbraw/zinc/49/94/76/1137499476.db2.gz MMHWRLYQWAQGIP-UHFFFAOYSA-N 2 1 332.488 3.541 20 0 EHADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628914 1137499478 /nfs/dbraw/zinc/49/94/78/1137499478.db2.gz MMHWRLYQWAQGIP-UHFFFAOYSA-N 2 1 332.488 3.541 20 0 EHADMP C[C@H]1CN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[N@H+]1C1CCCCC1 ZINC001171644833 1137501728 /nfs/dbraw/zinc/50/17/28/1137501728.db2.gz PXIAAWURRZPCHX-KRWDZBQOSA-N 2 1 335.580 3.977 20 0 EHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678863 1137503465 /nfs/dbraw/zinc/50/34/65/1137503465.db2.gz HYWMDGSJHCODDC-KNQAVFIVSA-N 2 1 344.543 3.891 20 0 EHADMP C[C@H]1C[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171732353 1137507006 /nfs/dbraw/zinc/50/70/06/1137507006.db2.gz JFIKLRZWHWWLCP-HKUYNNGSSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CN1Cc1ccccc1 ZINC001171732353 1137507007 /nfs/dbraw/zinc/50/70/07/1137507007.db2.gz JFIKLRZWHWWLCP-HKUYNNGSSA-N 2 1 343.559 3.890 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989201 1137522388 /nfs/dbraw/zinc/52/23/88/1137522388.db2.gz ZYNUTSDBVSMNBF-MOPGFXCFSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989201 1137522389 /nfs/dbraw/zinc/52/23/89/1137522389.db2.gz ZYNUTSDBVSMNBF-MOPGFXCFSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989201 1137522390 /nfs/dbraw/zinc/52/23/90/1137522390.db2.gz ZYNUTSDBVSMNBF-MOPGFXCFSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989201 1137522391 /nfs/dbraw/zinc/52/23/91/1137522391.db2.gz ZYNUTSDBVSMNBF-MOPGFXCFSA-N 2 1 330.516 3.665 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171970586 1137523629 /nfs/dbraw/zinc/52/36/29/1137523629.db2.gz DFVFQRDYEVBWCK-ZCNNSNEGSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@H](N(C(N)=[NH2+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171973324 1137524330 /nfs/dbraw/zinc/52/43/30/1137524330.db2.gz XOGFSGZJCYPORV-LJQANCHMSA-N 2 1 336.483 3.830 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171975755 1137525282 /nfs/dbraw/zinc/52/52/82/1137525282.db2.gz FHKJMFLPMKEOII-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171975755 1137525284 /nfs/dbraw/zinc/52/52/84/1137525284.db2.gz FHKJMFLPMKEOII-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@H]1O ZINC001171975755 1137525286 /nfs/dbraw/zinc/52/52/86/1137525286.db2.gz FHKJMFLPMKEOII-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979161 1137525699 /nfs/dbraw/zinc/52/56/99/1137525699.db2.gz CSCIOTCLAXCWNO-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979161 1137525700 /nfs/dbraw/zinc/52/57/00/1137525700.db2.gz CSCIOTCLAXCWNO-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979161 1137525701 /nfs/dbraw/zinc/52/57/01/1137525701.db2.gz CSCIOTCLAXCWNO-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171980060 1137526858 /nfs/dbraw/zinc/52/68/58/1137526858.db2.gz SEMYCDMMELKXNK-DYXWJJEUSA-N 2 1 328.500 3.588 20 0 EHADMP CC[NH+]1CCC(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985724 1137526976 /nfs/dbraw/zinc/52/69/76/1137526976.db2.gz ZFEAWFKRBKNDOB-NRFANRHFSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+]1CCC(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985725 1137527067 /nfs/dbraw/zinc/52/70/67/1137527067.db2.gz ZFEAWFKRBKNDOB-OAQYLSRUSA-N 2 1 343.559 3.846 20 0 EHADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172061004 1137528692 /nfs/dbraw/zinc/52/86/92/1137528692.db2.gz DQCOKNOMFYKAJR-DKUWSORSSA-N 2 1 343.559 3.894 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061004 1137528693 /nfs/dbraw/zinc/52/86/93/1137528693.db2.gz DQCOKNOMFYKAJR-DKUWSORSSA-N 2 1 343.559 3.894 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061004 1137528695 /nfs/dbraw/zinc/52/86/95/1137528695.db2.gz DQCOKNOMFYKAJR-DKUWSORSSA-N 2 1 343.559 3.894 20 0 EHADMP O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070884 1137530146 /nfs/dbraw/zinc/53/01/46/1137530146.db2.gz SAIJNOSPUFTNOP-QMCAAQAGSA-N 2 1 342.527 3.713 20 0 EHADMP [NH3+]Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076329 1137530676 /nfs/dbraw/zinc/53/06/76/1137530676.db2.gz HWSOZWUEBBSPQW-WBDAEOGXSA-N 3 1 349.522 3.821 20 0 EHADMP [NH3+]Cc1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076329 1137530678 /nfs/dbraw/zinc/53/06/78/1137530678.db2.gz HWSOZWUEBBSPQW-WBDAEOGXSA-N 2 1 349.522 3.821 20 0 EHADMP [NH3+]Cc1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076329 1137530680 /nfs/dbraw/zinc/53/06/80/1137530680.db2.gz HWSOZWUEBBSPQW-WBDAEOGXSA-N 2 1 349.522 3.821 20 0 EHADMP [NH3+]Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172076329 1137530682 /nfs/dbraw/zinc/53/06/82/1137530682.db2.gz HWSOZWUEBBSPQW-WBDAEOGXSA-N 2 1 349.522 3.821 20 0 EHADMP CC[N@H+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086820 1137532257 /nfs/dbraw/zinc/53/22/57/1137532257.db2.gz JDEVFQOCLBLQSW-YJMBLLCNSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086820 1137532258 /nfs/dbraw/zinc/53/22/58/1137532258.db2.gz JDEVFQOCLBLQSW-YJMBLLCNSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086820 1137532259 /nfs/dbraw/zinc/53/22/59/1137532259.db2.gz JDEVFQOCLBLQSW-YJMBLLCNSA-N 2 1 341.543 3.598 20 0 EHADMP CC[N@H+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1C ZINC001172090353 1137532263 /nfs/dbraw/zinc/53/22/63/1137532263.db2.gz UKTCLDWLUGQESU-YJMBLLCNSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090353 1137532264 /nfs/dbraw/zinc/53/22/64/1137532264.db2.gz UKTCLDWLUGQESU-YJMBLLCNSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090353 1137532265 /nfs/dbraw/zinc/53/22/65/1137532265.db2.gz UKTCLDWLUGQESU-YJMBLLCNSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001172098425 1137532348 /nfs/dbraw/zinc/53/23/48/1137532348.db2.gz DVVJTMCTNLOKCS-REPLKXPHSA-N 2 1 344.499 3.747 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC001172064976 1137532747 /nfs/dbraw/zinc/53/27/47/1137532747.db2.gz GOVZQLFDKHPAQQ-HAGHYFMRSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@]1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H](O)CC1 ZINC001172068265 1137534345 /nfs/dbraw/zinc/53/43/45/1137534345.db2.gz JOJIAOOFZPQBAR-UZBCKPFNSA-N 2 1 342.527 3.855 20 0 EHADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128777 1137535337 /nfs/dbraw/zinc/53/53/37/1137535337.db2.gz UBSHHYRWMYGVRI-LNRXMEIDSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128777 1137535338 /nfs/dbraw/zinc/53/53/38/1137535338.db2.gz UBSHHYRWMYGVRI-LNRXMEIDSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128777 1137535339 /nfs/dbraw/zinc/53/53/39/1137535339.db2.gz UBSHHYRWMYGVRI-LNRXMEIDSA-N 2 1 341.543 3.598 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172130088 1137535445 /nfs/dbraw/zinc/53/54/45/1137535445.db2.gz HKLMUZIDYLBSLC-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130088 1137535447 /nfs/dbraw/zinc/53/54/47/1137535447.db2.gz HKLMUZIDYLBSLC-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130088 1137535449 /nfs/dbraw/zinc/53/54/49/1137535449.db2.gz HKLMUZIDYLBSLC-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172130088 1137535450 /nfs/dbraw/zinc/53/54/50/1137535450.db2.gz HKLMUZIDYLBSLC-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172130088 1137535452 /nfs/dbraw/zinc/53/54/52/1137535452.db2.gz HKLMUZIDYLBSLC-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cc(OC(F)(F)F)ccc1F)C2 ZINC001172104319 1137536503 /nfs/dbraw/zinc/53/65/03/1137536503.db2.gz CFEBYNBJTYDDQP-ZSOGYDGISA-N 2 1 346.368 3.829 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001172104319 1137536505 /nfs/dbraw/zinc/53/65/05/1137536505.db2.gz CFEBYNBJTYDDQP-ZSOGYDGISA-N 2 1 346.368 3.829 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001172104319 1137536507 /nfs/dbraw/zinc/53/65/07/1137536507.db2.gz CFEBYNBJTYDDQP-ZSOGYDGISA-N 2 1 346.368 3.829 20 0 EHADMP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108028 1137536804 /nfs/dbraw/zinc/53/68/04/1137536804.db2.gz NXROTIRTSFUTHW-OWLYRPNTSA-N 2 1 341.499 3.727 20 0 EHADMP COc1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172110316 1137537345 /nfs/dbraw/zinc/53/73/45/1137537345.db2.gz JSEXEFULQYERER-LDLYASANSA-N 2 1 328.500 3.623 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113809 1137537919 /nfs/dbraw/zinc/53/79/19/1137537919.db2.gz MODLEHXTNQPETP-OHLDOZIISA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113809 1137537920 /nfs/dbraw/zinc/53/79/20/1137537920.db2.gz MODLEHXTNQPETP-OHLDOZIISA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113809 1137537921 /nfs/dbraw/zinc/53/79/21/1137537921.db2.gz MODLEHXTNQPETP-OHLDOZIISA-N 2 1 341.543 3.502 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001172253225 1137544782 /nfs/dbraw/zinc/54/47/82/1137544782.db2.gz HGWHJKMLANEJMF-HXUWFJFHSA-N 2 1 330.516 3.757 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001172253225 1137544783 /nfs/dbraw/zinc/54/47/83/1137544783.db2.gz HGWHJKMLANEJMF-HXUWFJFHSA-N 2 1 330.516 3.757 20 0 EHADMP CC[C@H](CC(C)C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001172405172 1137555624 /nfs/dbraw/zinc/55/56/24/1137555624.db2.gz TXTFPRIWXDIFGB-HXUWFJFHSA-N 2 1 346.515 3.852 20 0 EHADMP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000872023354 1137565532 /nfs/dbraw/zinc/56/55/32/1137565532.db2.gz GEEVXBNYBAEILM-CQSZACIVSA-N 2 1 326.366 3.786 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000872029505 1137566239 /nfs/dbraw/zinc/56/62/39/1137566239.db2.gz QWKBUOIHQMEKGS-LMMKCTJWSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000872029505 1137566240 /nfs/dbraw/zinc/56/62/40/1137566240.db2.gz QWKBUOIHQMEKGS-LMMKCTJWSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000872029504 1137566244 /nfs/dbraw/zinc/56/62/44/1137566244.db2.gz QWKBUOIHQMEKGS-AOIWGVFYSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000872029504 1137566245 /nfs/dbraw/zinc/56/62/45/1137566245.db2.gz QWKBUOIHQMEKGS-AOIWGVFYSA-N 2 1 336.545 3.755 20 0 EHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1)C1CCCC1 ZINC000872156048 1137574149 /nfs/dbraw/zinc/57/41/49/1137574149.db2.gz DCSJATDQROSGPN-GOEBONIOSA-N 2 1 336.442 3.575 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157727 1137574275 /nfs/dbraw/zinc/57/42/75/1137574275.db2.gz QFBSXZAMIGZIAD-KEYYUXOJSA-N 2 1 332.492 3.628 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157727 1137574276 /nfs/dbraw/zinc/57/42/76/1137574276.db2.gz QFBSXZAMIGZIAD-KEYYUXOJSA-N 2 1 332.492 3.628 20 0 EHADMP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)c1ccccc1 ZINC000873202905 1137593964 /nfs/dbraw/zinc/59/39/64/1137593964.db2.gz HUIKZCRHPNOMQC-OAHLLOKOSA-N 2 1 330.497 3.603 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000873226739 1137594313 /nfs/dbraw/zinc/59/43/13/1137594313.db2.gz AHDVPUNGTYEQHS-YOEHRIQHSA-N 2 1 342.405 3.577 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000873226739 1137594314 /nfs/dbraw/zinc/59/43/14/1137594314.db2.gz AHDVPUNGTYEQHS-YOEHRIQHSA-N 2 1 342.405 3.577 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873231314 1137594582 /nfs/dbraw/zinc/59/45/82/1137594582.db2.gz FMNUNDMNAILMOJ-GHTZIAJQSA-N 2 1 343.515 3.765 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877087947 1137669996 /nfs/dbraw/zinc/66/99/96/1137669996.db2.gz XQILFBNMRBGMBN-UQASEVPWSA-N 2 1 338.499 3.607 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877087947 1137669997 /nfs/dbraw/zinc/66/99/97/1137669997.db2.gz XQILFBNMRBGMBN-UQASEVPWSA-N 2 1 338.499 3.607 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000877477268 1137677562 /nfs/dbraw/zinc/67/75/62/1137677562.db2.gz BSQIMMQKAYDCLZ-SFHVURJKSA-N 2 1 347.503 3.950 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000877477268 1137677563 /nfs/dbraw/zinc/67/75/63/1137677563.db2.gz BSQIMMQKAYDCLZ-SFHVURJKSA-N 2 1 347.503 3.950 20 0 EHADMP CC(C)C[N@H+](Cc1ccc(C(F)F)nc1)CC1CC[NH+](C)CC1 ZINC000877767515 1137689021 /nfs/dbraw/zinc/68/90/21/1137689021.db2.gz LOPPTEIEROATNY-UHFFFAOYSA-N 2 1 325.447 3.819 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196970 1137706714 /nfs/dbraw/zinc/70/67/14/1137706714.db2.gz KIOQHUXRFLUWTL-ANULTFPQSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196970 1137706715 /nfs/dbraw/zinc/70/67/15/1137706715.db2.gz KIOQHUXRFLUWTL-ANULTFPQSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196970 1137706716 /nfs/dbraw/zinc/70/67/16/1137706716.db2.gz KIOQHUXRFLUWTL-ANULTFPQSA-N 2 1 328.500 3.713 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196972 1137706781 /nfs/dbraw/zinc/70/67/81/1137706781.db2.gz KIOQHUXRFLUWTL-MHTWAQMVSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196972 1137706782 /nfs/dbraw/zinc/70/67/82/1137706782.db2.gz KIOQHUXRFLUWTL-MHTWAQMVSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196972 1137706783 /nfs/dbraw/zinc/70/67/83/1137706783.db2.gz KIOQHUXRFLUWTL-MHTWAQMVSA-N 2 1 328.500 3.713 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)O2)cc1 ZINC000878286897 1137709913 /nfs/dbraw/zinc/70/99/13/1137709913.db2.gz UXKYDZRDDJGJAY-YJMBLLCNSA-N 2 1 340.511 3.855 20 0 EHADMP Cc1nccn1CCC[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878288373 1137709977 /nfs/dbraw/zinc/70/99/77/1137709977.db2.gz WDAVPZYRKNZSKH-INIZCTEOSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878288373 1137709978 /nfs/dbraw/zinc/70/99/78/1137709978.db2.gz WDAVPZYRKNZSKH-INIZCTEOSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878288373 1137709979 /nfs/dbraw/zinc/70/99/79/1137709979.db2.gz WDAVPZYRKNZSKH-INIZCTEOSA-N 2 1 342.270 3.554 20 0 EHADMP COC[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134173 1137792484 /nfs/dbraw/zinc/79/24/84/1137792484.db2.gz BUOHGLUMUCYVHE-UZLBHIALSA-N 2 1 327.472 3.606 20 0 EHADMP COC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134173 1137792485 /nfs/dbraw/zinc/79/24/85/1137792485.db2.gz BUOHGLUMUCYVHE-UZLBHIALSA-N 2 1 327.472 3.606 20 0 EHADMP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCOCC2)cc1 ZINC000883173920 1137847252 /nfs/dbraw/zinc/84/72/52/1137847252.db2.gz WYNMUDHRCQKYNH-UFYCRDLUSA-N 2 1 332.463 3.510 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)O2)cc1 ZINC000883430624 1137860536 /nfs/dbraw/zinc/86/05/36/1137860536.db2.gz YXLZSFSVWDFKBG-BQJUDKOJSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258975 1137886117 /nfs/dbraw/zinc/88/61/17/1137886117.db2.gz ZEDWIFKJQFVHOB-KRWDZBQOSA-N 2 1 327.447 3.880 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258975 1137886118 /nfs/dbraw/zinc/88/61/18/1137886118.db2.gz ZEDWIFKJQFVHOB-KRWDZBQOSA-N 2 1 327.447 3.880 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258975 1137886119 /nfs/dbraw/zinc/88/61/19/1137886119.db2.gz ZEDWIFKJQFVHOB-KRWDZBQOSA-N 2 1 327.447 3.880 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331713869 1137918025 /nfs/dbraw/zinc/91/80/25/1137918025.db2.gz MJBGEOGELDMDEM-CRAIPNDOSA-N 2 1 329.488 3.636 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202696729 1137929776 /nfs/dbraw/zinc/92/97/76/1137929776.db2.gz WXVQYRZYXBLVQN-YADHBBJMSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202696729 1137929777 /nfs/dbraw/zinc/92/97/77/1137929777.db2.gz WXVQYRZYXBLVQN-YADHBBJMSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202696729 1137929778 /nfs/dbraw/zinc/92/97/78/1137929778.db2.gz WXVQYRZYXBLVQN-YADHBBJMSA-N 2 1 342.527 3.647 20 0 EHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(F)c1OC ZINC000885923335 1138024623 /nfs/dbraw/zinc/02/46/23/1138024623.db2.gz XCKUAUSIPVPLDO-OAHLLOKOSA-N 2 1 338.467 3.587 20 0 EHADMP C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccncc1 ZINC000886536688 1138092468 /nfs/dbraw/zinc/09/24/68/1138092468.db2.gz NBKOJYHAQYFQEK-HQMSXXKGSA-N 2 1 335.495 3.828 20 0 EHADMP COc1cccc(CCC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886666338 1138111494 /nfs/dbraw/zinc/11/14/94/1138111494.db2.gz RHMKSGSOLDQVJK-UHFFFAOYSA-N 2 1 327.472 3.847 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683657 1138239736 /nfs/dbraw/zinc/23/97/36/1138239736.db2.gz VEVKMZHHGFFMJE-MRXNPFEDSA-N 2 1 342.462 3.524 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683657 1138239738 /nfs/dbraw/zinc/23/97/38/1138239738.db2.gz VEVKMZHHGFFMJE-MRXNPFEDSA-N 2 1 342.462 3.524 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000125828829 1138317474 /nfs/dbraw/zinc/31/74/74/1138317474.db2.gz UBBAWDNEQQTCKN-DLBZAZTESA-N 2 1 332.488 3.619 20 0 EHADMP Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(C(C)C)n1 ZINC000336958279 1138434751 /nfs/dbraw/zinc/43/47/51/1138434751.db2.gz YLLVUBKWSMHLTK-INIZCTEOSA-N 2 1 339.487 3.825 20 0 EHADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337403410 1138557915 /nfs/dbraw/zinc/55/79/15/1138557915.db2.gz SEZUQJCVZPIQTJ-KRWDZBQOSA-N 2 1 349.482 3.555 20 0 EHADMP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000338000614 1138720396 /nfs/dbraw/zinc/72/03/96/1138720396.db2.gz YTSAJIUDTABUMX-UXHICEINSA-N 2 1 334.479 3.527 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000152164126 1139077621 /nfs/dbraw/zinc/07/76/21/1139077621.db2.gz WEFXZJZOWPCFBW-MELADBBJSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152164126 1139077627 /nfs/dbraw/zinc/07/76/27/1139077627.db2.gz WEFXZJZOWPCFBW-MELADBBJSA-N 2 1 330.394 3.545 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000174629406 1139432048 /nfs/dbraw/zinc/43/20/48/1139432048.db2.gz AWZTXPYGKKTDHI-CZUORRHYSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000174629406 1139432049 /nfs/dbraw/zinc/43/20/49/1139432049.db2.gz AWZTXPYGKKTDHI-CZUORRHYSA-N 2 1 340.895 3.567 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000177212967 1139605218 /nfs/dbraw/zinc/60/52/18/1139605218.db2.gz NAPNJVYUUHQZHM-IBGZPJMESA-N 2 1 339.527 3.908 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000177813967 1139643630 /nfs/dbraw/zinc/64/36/30/1139643630.db2.gz PYVWTKGCVDXLMA-IAQYHMDHSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2)CCN1C ZINC000177813967 1139643631 /nfs/dbraw/zinc/64/36/31/1139643631.db2.gz PYVWTKGCVDXLMA-IAQYHMDHSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)CCN1C ZINC000177813967 1139643633 /nfs/dbraw/zinc/64/36/33/1139643633.db2.gz PYVWTKGCVDXLMA-IAQYHMDHSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000178035347 1139664516 /nfs/dbraw/zinc/66/45/16/1139664516.db2.gz QHKGBUOXGVGJPR-SOLBZPMBSA-N 2 1 334.529 3.703 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OCCC(C)C ZINC000178391746 1139691524 /nfs/dbraw/zinc/69/15/24/1139691524.db2.gz UHRKHBLMAXABTB-MRXNPFEDSA-N 2 1 334.504 3.865 20 0 EHADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000178620172 1139708107 /nfs/dbraw/zinc/70/81/07/1139708107.db2.gz GFMVWYRJQYZISW-KXBFYZLASA-N 2 1 343.540 3.975 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000178702739 1139712839 /nfs/dbraw/zinc/71/28/39/1139712839.db2.gz CPIAPDJKUDGKED-QAPCUYQASA-N 2 1 325.456 3.864 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000178894743 1139723464 /nfs/dbraw/zinc/72/34/64/1139723464.db2.gz LPKFZDOVVCHCEI-LLVKDONJSA-N 2 1 329.341 3.775 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(COCC)c2)CC1 ZINC000179411173 1139754978 /nfs/dbraw/zinc/75/49/78/1139754978.db2.gz ANONHBZYLQTLNN-UHFFFAOYSA-N 2 1 334.504 3.538 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(COCC)c2)CC1 ZINC000179411173 1139754984 /nfs/dbraw/zinc/75/49/84/1139754984.db2.gz ANONHBZYLQTLNN-UHFFFAOYSA-N 2 1 334.504 3.538 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1F ZINC000180960610 1139874837 /nfs/dbraw/zinc/87/48/37/1139874837.db2.gz BYXVJEORHJLFAE-AABGKKOBSA-N 2 1 334.479 3.634 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@H](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000182076499 1139948788 /nfs/dbraw/zinc/94/87/88/1139948788.db2.gz IHXLRDYJVWMQAR-MRXNPFEDSA-N 2 1 338.499 3.531 20 0 EHADMP COc1ccc(C[C@@H](C)C[NH2+]CCCCn2cc[nH+]c2C)cc1F ZINC000185295245 1140143834 /nfs/dbraw/zinc/14/38/34/1140143834.db2.gz DJONZCLPLBLCKP-OAHLLOKOSA-N 2 1 333.451 3.588 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000187771006 1140270772 /nfs/dbraw/zinc/27/07/72/1140270772.db2.gz QCWAHTIRGMCSRZ-WMZOPIPTSA-N 2 1 338.499 3.868 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190588862 1140410890 /nfs/dbraw/zinc/41/08/90/1140410890.db2.gz OGSIDLCXTBEYQG-XHDPSFHLSA-N 2 1 343.334 3.893 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CCS2 ZINC000191510206 1140469181 /nfs/dbraw/zinc/46/91/81/1140469181.db2.gz IZTNTXNUFUIHEQ-DYVFJYSZSA-N 2 1 331.485 3.663 20 0 EHADMP C=Cn1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000194216030 1140602863 /nfs/dbraw/zinc/60/28/63/1140602863.db2.gz NISFFOHNKCZHOQ-HDICACEKSA-N 2 1 338.499 3.751 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194474848 1140610682 /nfs/dbraw/zinc/61/06/82/1140610682.db2.gz KXSWFFKHTFADFQ-IBGZPJMESA-N 2 1 326.440 3.694 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1OC(F)F ZINC000268735109 1140979283 /nfs/dbraw/zinc/97/92/83/1140979283.db2.gz BGQLLZRVJISUTL-CYBMUJFWSA-N 2 1 330.419 3.678 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1OC(F)F ZINC000268735109 1140979288 /nfs/dbraw/zinc/97/92/88/1140979288.db2.gz BGQLLZRVJISUTL-CYBMUJFWSA-N 2 1 330.419 3.678 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000268810918 1140997403 /nfs/dbraw/zinc/99/74/03/1140997403.db2.gz MBEZUJRMVNUZKU-JTQLQIEISA-N 2 1 329.778 3.797 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000269027522 1141049906 /nfs/dbraw/zinc/04/99/06/1141049906.db2.gz CYKMXOAEZMPHPD-AWEZNQCLSA-N 2 1 330.501 3.783 20 0 EHADMP FC(F)SCc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000271181076 1141320420 /nfs/dbraw/zinc/32/04/20/1141320420.db2.gz HNCCUZXMOSHXIL-UHFFFAOYSA-N 2 1 327.400 3.838 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271438491 1141366807 /nfs/dbraw/zinc/36/68/07/1141366807.db2.gz CAFNBZBVUKLYJZ-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271438491 1141366813 /nfs/dbraw/zinc/36/68/13/1141366813.db2.gz CAFNBZBVUKLYJZ-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP CC[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349001759 1141620578 /nfs/dbraw/zinc/62/05/78/1141620578.db2.gz HTWNKDRSKUMCLY-UHFFFAOYSA-N 2 1 348.494 3.956 20 0 EHADMP CC[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349001759 1141620583 /nfs/dbraw/zinc/62/05/83/1141620583.db2.gz HTWNKDRSKUMCLY-UHFFFAOYSA-N 2 1 348.494 3.956 20 0 EHADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275582901 564009455 /nfs/dbraw/zinc/00/94/55/564009455.db2.gz HLDDFDFWMLHARY-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275582901 564009456 /nfs/dbraw/zinc/00/94/56/564009456.db2.gz HLDDFDFWMLHARY-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275582901 564009457 /nfs/dbraw/zinc/00/94/57/564009457.db2.gz HLDDFDFWMLHARY-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275582901 564009458 /nfs/dbraw/zinc/00/94/58/564009458.db2.gz HLDDFDFWMLHARY-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP Cc1ccsc1C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275875144 564010199 /nfs/dbraw/zinc/01/01/99/564010199.db2.gz YIUGIIIBGPDSON-SFHVURJKSA-N 2 1 329.513 3.938 20 0 EHADMP Cc1ccsc1C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275875144 564010200 /nfs/dbraw/zinc/01/02/00/564010200.db2.gz YIUGIIIBGPDSON-SFHVURJKSA-N 2 1 329.513 3.938 20 0 EHADMP Cc1ccsc1C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275875144 564010201 /nfs/dbraw/zinc/01/02/01/564010201.db2.gz YIUGIIIBGPDSON-SFHVURJKSA-N 2 1 329.513 3.938 20 0 EHADMP Cc1ccsc1C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275875144 564010202 /nfs/dbraw/zinc/01/02/02/564010202.db2.gz YIUGIIIBGPDSON-SFHVURJKSA-N 2 1 329.513 3.938 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537985744 1032062653 /nfs/dbraw/zinc/06/26/53/1032062653.db2.gz CQXFYANKONVBCY-DYEKYZERSA-N 2 1 331.287 3.691 20 0 EHADMP Clc1sccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470961 1032067113 /nfs/dbraw/zinc/06/71/13/1032067113.db2.gz DLPPNYDFDJFGSY-PBHICJAKSA-N 2 1 334.872 3.747 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468556297 1017338484 /nfs/dbraw/zinc/33/84/84/1017338484.db2.gz VEQQTIPMMBJDFG-XUJVJEKNSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468556297 1017338473 /nfs/dbraw/zinc/33/84/73/1017338473.db2.gz VEQQTIPMMBJDFG-XUJVJEKNSA-N 2 1 343.284 3.592 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182236412 1032080840 /nfs/dbraw/zinc/08/08/40/1032080840.db2.gz RERQJACZHOYMIK-MOPGFXCFSA-N 2 1 344.524 3.946 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000339514311 1014632081 /nfs/dbraw/zinc/63/20/81/1014632081.db2.gz ZHBUMTUQKXEPQT-IAGOWNOFSA-N 2 1 341.524 3.803 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000339514311 1014632087 /nfs/dbraw/zinc/63/20/87/1014632087.db2.gz ZHBUMTUQKXEPQT-IAGOWNOFSA-N 2 1 341.524 3.803 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025180 1032099438 /nfs/dbraw/zinc/09/94/38/1032099438.db2.gz AONQHXLMQHNMMU-SJLPKXTDSA-N 2 1 332.488 3.543 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025180 1032099452 /nfs/dbraw/zinc/09/94/52/1032099452.db2.gz AONQHXLMQHNMMU-SJLPKXTDSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025180 1032099468 /nfs/dbraw/zinc/09/94/68/1032099468.db2.gz AONQHXLMQHNMMU-SJLPKXTDSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025180 1032099483 /nfs/dbraw/zinc/09/94/83/1032099483.db2.gz AONQHXLMQHNMMU-SJLPKXTDSA-N 2 1 332.488 3.543 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000154101812 1015011468 /nfs/dbraw/zinc/01/14/68/1015011468.db2.gz ZFWCZSMBIKNPQK-KXBFYZLASA-N 2 1 338.455 3.727 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449065123 1032109542 /nfs/dbraw/zinc/10/95/42/1032109542.db2.gz XVYMYFBRTBMGHE-INIZCTEOSA-N 2 1 344.478 3.580 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449065123 1032109549 /nfs/dbraw/zinc/10/95/49/1032109549.db2.gz XVYMYFBRTBMGHE-INIZCTEOSA-N 2 1 344.478 3.580 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(SCC(F)F)cc1 ZINC000530513221 1015074607 /nfs/dbraw/zinc/07/46/07/1015074607.db2.gz UERAHXCHCNCTSN-LBPRGKRZSA-N 2 1 325.428 3.671 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000261421681 1015350148 /nfs/dbraw/zinc/35/01/48/1015350148.db2.gz HGYALDSOJVPSGC-GHTZIAJQSA-N 2 1 343.559 3.757 20 0 EHADMP CCN(CC)Cc1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)o1 ZINC000625142798 1015811107 /nfs/dbraw/zinc/81/11/07/1015811107.db2.gz TXVPDGZIMJEHNJ-UHFFFAOYSA-N 2 1 338.411 3.559 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])NC1CCCC1 ZINC000077754178 1015897784 /nfs/dbraw/zinc/89/77/84/1015897784.db2.gz NBYGSOGWAUELRE-MRXNPFEDSA-N 2 1 328.504 3.618 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)CC[N@H+]1C ZINC000155054198 1016086772 /nfs/dbraw/zinc/08/67/72/1016086772.db2.gz FJKGVRHYOSSANQ-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000086279288 1016211395 /nfs/dbraw/zinc/21/13/95/1016211395.db2.gz XZQAWXYJIVFQQT-OAHLLOKOSA-N 2 1 349.434 3.803 20 0 EHADMP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(Br)c1 ZINC001205124676 1121002172 /nfs/dbraw/zinc/00/21/72/1121002172.db2.gz XUBVPPOXOUMDNX-HNNXBMFYSA-N 2 1 325.294 3.886 20 0 EHADMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(Br)c1 ZINC001205124676 1121002176 /nfs/dbraw/zinc/00/21/76/1121002176.db2.gz XUBVPPOXOUMDNX-HNNXBMFYSA-N 2 1 325.294 3.886 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751250 1016272077 /nfs/dbraw/zinc/27/20/77/1016272077.db2.gz VIILHALRLRPYLM-LPHOPBHVSA-N 2 1 335.923 3.503 20 0 EHADMP CC[C@@H](CSC)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000589206313 1016638529 /nfs/dbraw/zinc/63/85/29/1016638529.db2.gz FAWWKSKPPBELMZ-SFHVURJKSA-N 2 1 336.545 3.735 20 0 EHADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828558 1016964676 /nfs/dbraw/zinc/96/46/76/1016964676.db2.gz ZXGURLNUOHJKTJ-RZUBCFFCSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828558 1016964692 /nfs/dbraw/zinc/96/46/92/1016964692.db2.gz ZXGURLNUOHJKTJ-RZUBCFFCSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828558 1016964708 /nfs/dbraw/zinc/96/47/08/1016964708.db2.gz ZXGURLNUOHJKTJ-RZUBCFFCSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921897 1016981259 /nfs/dbraw/zinc/98/12/59/1016981259.db2.gz HYIFVFWCCDICCW-RISCZKNCSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921897 1016981275 /nfs/dbraw/zinc/98/12/75/1016981275.db2.gz HYIFVFWCCDICCW-RISCZKNCSA-N 2 1 344.286 3.524 20 0 EHADMP COCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000459467751 1032166251 /nfs/dbraw/zinc/16/62/51/1032166251.db2.gz ZJOJEDFUEMGUOH-INIZCTEOSA-N 2 1 342.270 3.637 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000657842739 1032203459 /nfs/dbraw/zinc/20/34/59/1032203459.db2.gz WZVGRGGMKMNXNN-NVXWUHKLSA-N 2 1 339.321 3.702 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000449119903 1032213889 /nfs/dbraw/zinc/21/38/89/1032213889.db2.gz ATINHDMXSDKYNE-FQEVSTJZSA-N 2 1 338.495 3.658 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000449119903 1032213907 /nfs/dbraw/zinc/21/39/07/1032213907.db2.gz ATINHDMXSDKYNE-FQEVSTJZSA-N 2 1 338.495 3.658 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)CC[C@@H]3C)CC2)oc1C ZINC000449126626 1032220725 /nfs/dbraw/zinc/22/07/25/1032220725.db2.gz UTKIEBXEMIPEHE-YZVOILCLSA-N 2 1 333.520 3.918 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000536827446 1032305953 /nfs/dbraw/zinc/30/59/53/1032305953.db2.gz PFENDIOVCBBQBM-BJLQDIEVSA-N 2 1 330.516 3.692 20 0 EHADMP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC(F)(F)F ZINC001168358771 1032354390 /nfs/dbraw/zinc/35/43/90/1032354390.db2.gz UVVNMZCEODXTLU-UHFFFAOYSA-N 2 1 346.368 3.688 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000081633285 1032355644 /nfs/dbraw/zinc/35/56/44/1032355644.db2.gz KSUCZCMLBBQTPO-MRXNPFEDSA-N 2 1 326.406 3.869 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000905131128 1032358672 /nfs/dbraw/zinc/35/86/72/1032358672.db2.gz CIHXPZQGWQWURW-GGPKGHCWSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000905131128 1032358682 /nfs/dbraw/zinc/35/86/82/1032358682.db2.gz CIHXPZQGWQWURW-GGPKGHCWSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000395109863 1032405291 /nfs/dbraw/zinc/40/52/91/1032405291.db2.gz AXEKJFPUOHZGFK-AWEZNQCLSA-N 2 1 325.294 3.577 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305338 1032424153 /nfs/dbraw/zinc/42/41/53/1032424153.db2.gz RZOXLJGGFALSIJ-IEBWSBKVSA-N 2 1 349.950 3.592 20 0 EHADMP C[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000459744085 1032456547 /nfs/dbraw/zinc/45/65/47/1032456547.db2.gz XRXTXVVKNAGTEU-CABCVRRESA-N 2 1 339.321 3.874 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459744027 1032456796 /nfs/dbraw/zinc/45/67/96/1032456796.db2.gz XOIVWEGILIOSTM-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000537000015 1032477348 /nfs/dbraw/zinc/47/73/48/1032477348.db2.gz JNKRQVYAHVKYAB-MOPGFXCFSA-N 2 1 338.923 3.864 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000429781893 1032561608 /nfs/dbraw/zinc/56/16/08/1032561608.db2.gz FIYUYJWRXVEXMF-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000429781893 1032561615 /nfs/dbraw/zinc/56/16/15/1032561615.db2.gz FIYUYJWRXVEXMF-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000429781893 1032561623 /nfs/dbraw/zinc/56/16/23/1032561623.db2.gz FIYUYJWRXVEXMF-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000429781893 1032561624 /nfs/dbraw/zinc/56/16/24/1032561624.db2.gz FIYUYJWRXVEXMF-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CCOC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000657861401 1032598981 /nfs/dbraw/zinc/59/89/81/1032598981.db2.gz RJEGPMYPJKCWEO-AOCRQIFASA-N 2 1 336.545 3.897 20 0 EHADMP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000657861401 1032598989 /nfs/dbraw/zinc/59/89/89/1032598989.db2.gz RJEGPMYPJKCWEO-AOCRQIFASA-N 2 1 336.545 3.897 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000449478682 1032603850 /nfs/dbraw/zinc/60/38/50/1032603850.db2.gz SHVWNYITSKOICD-UHFFFAOYSA-N 2 1 343.559 3.894 20 0 EHADMP CN(Cc1ccccc1)C1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000449478682 1032603854 /nfs/dbraw/zinc/60/38/54/1032603854.db2.gz SHVWNYITSKOICD-UHFFFAOYSA-N 2 1 343.559 3.894 20 0 EHADMP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000449495625 1032662034 /nfs/dbraw/zinc/66/20/34/1032662034.db2.gz OSMUAKVEJPCPPR-TZIWHRDSSA-N 2 1 330.516 3.692 20 0 EHADMP c1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000091265953 1032678822 /nfs/dbraw/zinc/67/88/22/1032678822.db2.gz TXRPBDDJHOTMSL-QFIPXVFZSA-N 2 1 336.479 3.760 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000376795012 1017117897 /nfs/dbraw/zinc/11/78/97/1017117897.db2.gz AYIIAFNRCZOPOD-QINBWVTOSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cnc1F ZINC000892737564 1017274901 /nfs/dbraw/zinc/27/49/01/1017274901.db2.gz FRYJFPNXSOHJGD-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cnc1F ZINC000892737564 1017274907 /nfs/dbraw/zinc/27/49/07/1017274907.db2.gz FRYJFPNXSOHJGD-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698343 1017415306 /nfs/dbraw/zinc/41/53/06/1017415306.db2.gz VBJVUDZWINCSAX-PMACEKPBSA-N 2 1 334.479 3.756 20 0 EHADMP CCOc1ccccc1[C@H](CC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655704351 1017420450 /nfs/dbraw/zinc/42/04/50/1017420450.db2.gz BHDPTIKUXGFBNC-ICSRJNTNSA-N 2 1 346.515 3.769 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)o1 ZINC000415035703 1017427616 /nfs/dbraw/zinc/42/76/16/1017427616.db2.gz FDZCCSQUCSLNFE-HOCLYGCPSA-N 2 1 331.485 3.676 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)o1 ZINC000415035703 1017427625 /nfs/dbraw/zinc/42/76/25/1017427625.db2.gz FDZCCSQUCSLNFE-HOCLYGCPSA-N 2 1 331.485 3.676 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061126 1017489288 /nfs/dbraw/zinc/48/92/88/1017489288.db2.gz XZADFXSFPGZPCI-PELRDEGISA-N 2 1 343.559 3.549 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1OC ZINC000415091799 1017547326 /nfs/dbraw/zinc/54/73/26/1017547326.db2.gz QXIAMQDMCMLFER-MOPGFXCFSA-N 2 1 340.467 3.677 20 0 EHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000415118673 1017574118 /nfs/dbraw/zinc/57/41/18/1017574118.db2.gz DVHCGIVLZHWABJ-DLBZAZTESA-N 2 1 343.298 3.712 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 ZINC000655785832 1017593679 /nfs/dbraw/zinc/59/36/79/1017593679.db2.gz MPSFKUWTGKIJMO-LEWJYISDSA-N 2 1 328.500 3.588 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000892915765 1017717812 /nfs/dbraw/zinc/71/78/12/1017717812.db2.gz FWJPFJRBEITLIR-MIGBEJBISA-N 2 1 334.529 3.701 20 0 EHADMP CO[C@]1(C)CCC[N@@H+](CCCC[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377394347 1017746398 /nfs/dbraw/zinc/74/63/98/1017746398.db2.gz XFAXRMYDFZZDAM-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CO[C@]1(C)CCC[NH+](CCCC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377394347 1017746411 /nfs/dbraw/zinc/74/64/11/1017746411.db2.gz XFAXRMYDFZZDAM-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CO[C@]1(C)CCC[NH+](CCCC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377394347 1017746419 /nfs/dbraw/zinc/74/64/19/1017746419.db2.gz XFAXRMYDFZZDAM-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@H]1c1cccs1 ZINC000893021325 1018187062 /nfs/dbraw/zinc/18/70/62/1018187062.db2.gz SOFMIVVYTUGPDO-KSSFIOAISA-N 2 1 334.460 3.766 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@H]1c1cccs1 ZINC000893021325 1018187069 /nfs/dbraw/zinc/18/70/69/1018187069.db2.gz SOFMIVVYTUGPDO-KSSFIOAISA-N 2 1 334.460 3.766 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3cc(C)ccc3n2)CC1 ZINC000052209866 1018869203 /nfs/dbraw/zinc/86/92/03/1018869203.db2.gz GICXOOPYOPOABD-UHFFFAOYSA-N 2 1 328.504 3.587 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000894187167 1019096866 /nfs/dbraw/zinc/09/68/66/1019096866.db2.gz ZRLFZUAWUFHVFF-IYBDPMFKSA-N 2 1 327.472 3.751 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000894187167 1019096880 /nfs/dbraw/zinc/09/68/80/1019096880.db2.gz ZRLFZUAWUFHVFF-IYBDPMFKSA-N 2 1 327.472 3.751 20 0 EHADMP COC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000580361678 1019188717 /nfs/dbraw/zinc/18/87/17/1019188717.db2.gz GKIDYCLKZCVJQK-OAADDMNDSA-N 2 1 342.527 3.834 20 0 EHADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](CC3(C)COC3)C[C@H]2CC1 ZINC001279460779 1019410216 /nfs/dbraw/zinc/41/02/16/1019410216.db2.gz YYUZLMUAAYIPBF-AQNXPRMDSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001279460779 1019410228 /nfs/dbraw/zinc/41/02/28/1019410228.db2.gz YYUZLMUAAYIPBF-AQNXPRMDSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001279460779 1019410234 /nfs/dbraw/zinc/41/02/34/1019410234.db2.gz YYUZLMUAAYIPBF-AQNXPRMDSA-N 2 1 336.564 3.883 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513332318 1019547747 /nfs/dbraw/zinc/54/77/47/1019547747.db2.gz ZLLDLLJFZNWJPG-PZJWPPBQSA-N 2 1 344.543 3.962 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513332318 1019547761 /nfs/dbraw/zinc/54/77/61/1019547761.db2.gz ZLLDLLJFZNWJPG-PZJWPPBQSA-N 2 1 344.543 3.962 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000513452221 1019702093 /nfs/dbraw/zinc/70/20/93/1019702093.db2.gz MGWTUXHQCUTAEP-GHTZIAJQSA-N 2 1 338.495 3.721 20 0 EHADMP C[N@@H+](Cc1cc2ccccc2[nH]1)C1CCN(CCc2ccccn2)CC1 ZINC000684021491 1019830821 /nfs/dbraw/zinc/83/08/21/1019830821.db2.gz WWQZQQIVWJCFBF-UHFFFAOYSA-N 2 1 348.494 3.702 20 0 EHADMP CN(Cc1cc2ccccc2[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000684021491 1019830832 /nfs/dbraw/zinc/83/08/32/1019830832.db2.gz WWQZQQIVWJCFBF-UHFFFAOYSA-N 2 1 348.494 3.702 20 0 EHADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398199844 1019945355 /nfs/dbraw/zinc/94/53/55/1019945355.db2.gz PFBJRNMDBOTMDN-AVRDEDQJSA-N 2 1 338.495 3.833 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345693820 1020436250 /nfs/dbraw/zinc/43/62/50/1020436250.db2.gz NKFZNDCOADBDHD-IBGZPJMESA-N 2 1 336.907 3.882 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000067121830 1020603368 /nfs/dbraw/zinc/60/33/68/1020603368.db2.gz BTPYCDCKJKPDDK-NSHDSACASA-N 2 1 343.805 3.872 20 0 EHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@@H](C)O1 ZINC000093844165 1032914955 /nfs/dbraw/zinc/91/49/55/1032914955.db2.gz STHGPIQWLGKINM-HUUCEWRRSA-N 2 1 340.895 3.644 20 0 EHADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000430554178 1020670420 /nfs/dbraw/zinc/67/04/20/1020670420.db2.gz PTEDXRSKBLXCIS-ZDUSSCGKSA-N 2 1 336.430 3.814 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCC3)CCN1Cc1ccccc1 ZINC000656504127 1020759889 /nfs/dbraw/zinc/75/98/89/1020759889.db2.gz DAYBKEFUXJAILJ-XLIONFOSSA-N 2 1 335.495 3.713 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000232656313 1020959237 /nfs/dbraw/zinc/95/92/37/1020959237.db2.gz XGJTUOPPQMFLMU-AWEZNQCLSA-N 2 1 327.310 3.700 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000581515885 1021035829 /nfs/dbraw/zinc/03/58/29/1021035829.db2.gz NDHWQTBDDSDWNR-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000581515885 1021035834 /nfs/dbraw/zinc/03/58/34/1021035834.db2.gz NDHWQTBDDSDWNR-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000581515885 1021035840 /nfs/dbraw/zinc/03/58/40/1021035840.db2.gz NDHWQTBDDSDWNR-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000581515885 1021035847 /nfs/dbraw/zinc/03/58/47/1021035847.db2.gz NDHWQTBDDSDWNR-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000341199983 1021085219 /nfs/dbraw/zinc/08/52/19/1021085219.db2.gz ZFBJGEFVDMGKJP-QGZVFWFLSA-N 2 1 337.305 3.900 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000507356307 1021207253 /nfs/dbraw/zinc/20/72/53/1021207253.db2.gz FCFXXQLJKYZBJZ-UHFFFAOYSA-N 2 1 343.284 3.893 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000507356307 1021207244 /nfs/dbraw/zinc/20/72/44/1021207244.db2.gz FCFXXQLJKYZBJZ-UHFFFAOYSA-N 2 1 343.284 3.893 20 0 EHADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507498161 1021296864 /nfs/dbraw/zinc/29/68/64/1021296864.db2.gz UPSXNYGSVZPVFJ-HNNXBMFYSA-N 2 1 349.485 3.503 20 0 EHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507498161 1021296876 /nfs/dbraw/zinc/29/68/76/1021296876.db2.gz UPSXNYGSVZPVFJ-HNNXBMFYSA-N 2 1 349.485 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000507504929 1021313776 /nfs/dbraw/zinc/31/37/76/1021313776.db2.gz CXHNCOUDEXQFNA-LQWHRVPQSA-N 2 1 330.516 3.823 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558279 1032969801 /nfs/dbraw/zinc/96/98/01/1032969801.db2.gz KMAJYJBGFQVJIX-IEBWSBKVSA-N 2 1 344.499 3.676 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558279 1032969813 /nfs/dbraw/zinc/96/98/13/1032969813.db2.gz KMAJYJBGFQVJIX-IEBWSBKVSA-N 2 1 344.499 3.676 20 0 EHADMP Brc1ccsc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782011 1021321158 /nfs/dbraw/zinc/32/11/58/1021321158.db2.gz CNJYNYRGTKNJPP-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP CCCc1csc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000426358467 1021379033 /nfs/dbraw/zinc/37/90/33/1021379033.db2.gz VWASMWSSBKRRBK-UHFFFAOYSA-N 2 1 344.528 3.839 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)cc1O ZINC000426418588 1021532212 /nfs/dbraw/zinc/53/22/12/1021532212.db2.gz HITSUMJVYCUOEY-APWZRJJASA-N 2 1 348.531 3.822 20 0 EHADMP O[C@H]1CCCC[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519703866 1021617541 /nfs/dbraw/zinc/61/75/41/1021617541.db2.gz LNFXRNQESHMTAK-SFTDATJTSA-N 2 1 342.527 3.526 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152438 1022017916 /nfs/dbraw/zinc/01/79/16/1022017916.db2.gz HOIBQPYQSGQNPA-APWZRJJASA-N 2 1 332.488 3.556 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152438 1022017932 /nfs/dbraw/zinc/01/79/32/1022017932.db2.gz HOIBQPYQSGQNPA-APWZRJJASA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152438 1022017948 /nfs/dbraw/zinc/01/79/48/1022017948.db2.gz HOIBQPYQSGQNPA-APWZRJJASA-N 2 1 332.488 3.556 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)C[C@H]1C ZINC000441152438 1022017963 /nfs/dbraw/zinc/01/79/63/1022017963.db2.gz HOIBQPYQSGQNPA-APWZRJJASA-N 2 1 332.488 3.556 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000441156558 1022021126 /nfs/dbraw/zinc/02/11/26/1022021126.db2.gz QYTLFVZTTLVHJA-UHFFFAOYSA-N 2 1 332.488 3.556 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000441156558 1022021145 /nfs/dbraw/zinc/02/11/45/1022021145.db2.gz QYTLFVZTTLVHJA-UHFFFAOYSA-N 2 1 332.488 3.556 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C1CCCCC1 ZINC000519381386 1022054154 /nfs/dbraw/zinc/05/41/54/1022054154.db2.gz CVOYFCMMPUDVBC-DLBZAZTESA-N 2 1 341.421 3.975 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000441220167 1022060595 /nfs/dbraw/zinc/06/05/95/1022060595.db2.gz SNIFFOFJIVPJAK-UHFFFAOYSA-N 2 1 330.516 3.608 20 0 EHADMP CCC[N@@H+](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC000093996538 1022065330 /nfs/dbraw/zinc/06/53/30/1022065330.db2.gz AQFZWXCWVMAAJI-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192023 1022138018 /nfs/dbraw/zinc/13/80/18/1022138018.db2.gz MFIROPYTIYTJQL-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192023 1022138023 /nfs/dbraw/zinc/13/80/23/1022138023.db2.gz MFIROPYTIYTJQL-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1(C)C ZINC000441341945 1022180457 /nfs/dbraw/zinc/18/04/57/1022180457.db2.gz QBULWKSAAPKBDC-SFTDATJTSA-N 2 1 343.559 3.719 20 0 EHADMP CCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995468 1022441716 /nfs/dbraw/zinc/44/17/16/1022441716.db2.gz GNWVBFXQHGTRJV-WCRBZPEASA-N 2 1 333.564 3.590 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccno2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837098 1022698555 /nfs/dbraw/zinc/69/85/55/1022698555.db2.gz ZWNKOBGDUFTVOS-FQEVSTJZSA-N 2 1 339.483 3.797 20 0 EHADMP COc1cnccc1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167981730 1022785995 /nfs/dbraw/zinc/78/59/95/1022785995.db2.gz GZDFTYUFPFTREO-GKTUAVMOSA-N 2 1 341.499 3.536 20 0 EHADMP COc1cnccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167981730 1022786010 /nfs/dbraw/zinc/78/60/10/1022786010.db2.gz GZDFTYUFPFTREO-GKTUAVMOSA-N 2 1 341.499 3.536 20 0 EHADMP COc1cnccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167981730 1022786017 /nfs/dbraw/zinc/78/60/17/1022786017.db2.gz GZDFTYUFPFTREO-GKTUAVMOSA-N 2 1 341.499 3.536 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(N(C)C)c1 ZINC001167981955 1022788960 /nfs/dbraw/zinc/78/89/60/1022788960.db2.gz QPZKXMBXHKBJTJ-SRBWVJFJSA-N 2 1 327.516 3.809 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438576666 1022808235 /nfs/dbraw/zinc/80/82/35/1022808235.db2.gz NURUTRMWUHIKIY-HXUWFJFHSA-N 2 1 343.515 3.874 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1[NH3+] ZINC000430946152 1022925314 /nfs/dbraw/zinc/92/53/14/1022925314.db2.gz ZORSUDJGKRKTDB-QRWLVFNGSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH2+]1 ZINC000414954983 1023003811 /nfs/dbraw/zinc/00/38/11/1023003811.db2.gz TVPOUZPXJQBYDW-CHWSQXEVSA-N 2 1 327.453 3.786 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161880116 1023043125 /nfs/dbraw/zinc/04/31/25/1023043125.db2.gz VPXNSUFNUOGQFF-KUHUBIRLSA-N 2 1 325.431 3.827 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161880116 1023043133 /nfs/dbraw/zinc/04/31/33/1023043133.db2.gz VPXNSUFNUOGQFF-KUHUBIRLSA-N 2 1 325.431 3.827 20 0 EHADMP Brc1ccccc1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000212271900 1033116870 /nfs/dbraw/zinc/11/68/70/1033116870.db2.gz OEPBNYCTYCGCRU-CQSZACIVSA-N 2 1 337.305 3.628 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccccc2C(F)(F)F)CC1 ZINC000507348240 1023259485 /nfs/dbraw/zinc/25/94/85/1023259485.db2.gz MLIHQUPVOMSRTF-UHFFFAOYSA-N 2 1 344.421 3.889 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccccc2C(F)(F)F)CC1 ZINC000507348240 1023259487 /nfs/dbraw/zinc/25/94/87/1023259487.db2.gz MLIHQUPVOMSRTF-UHFFFAOYSA-N 2 1 344.421 3.889 20 0 EHADMP Fc1cccc(O[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168001691 1023296108 /nfs/dbraw/zinc/29/61/08/1023296108.db2.gz GFURZQITUADNJA-VHRCFOOQSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1cccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168001691 1023296115 /nfs/dbraw/zinc/29/61/15/1023296115.db2.gz GFURZQITUADNJA-VHRCFOOQSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1cccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168001691 1023296125 /nfs/dbraw/zinc/29/61/25/1023296125.db2.gz GFURZQITUADNJA-VHRCFOOQSA-N 2 1 344.474 3.684 20 0 EHADMP c1csc(C[NH+]2CCC(CNc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000219466308 1033140496 /nfs/dbraw/zinc/14/04/96/1033140496.db2.gz BGLUEWZLSWZUPG-UHFFFAOYSA-N 2 1 326.469 3.949 20 0 EHADMP COCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000449740107 1033139003 /nfs/dbraw/zinc/13/90/03/1033139003.db2.gz DYYXKASKSJBYSA-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449757968 1033147311 /nfs/dbraw/zinc/14/73/11/1033147311.db2.gz FLSNZIUCKOGHLK-NHCUHLMSSA-N 2 1 330.516 3.631 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)(C)C(F)F)CC2)oc1C ZINC000657876600 1033151781 /nfs/dbraw/zinc/15/17/81/1033151781.db2.gz FYCNFGFYAKPAEQ-CQSZACIVSA-N 2 1 343.462 3.773 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C(C)(C)O1 ZINC000181258003 1023873947 /nfs/dbraw/zinc/87/39/47/1023873947.db2.gz IUAGMQZTFMCOTJ-LJQANCHMSA-N 2 1 348.506 3.768 20 0 EHADMP C[C@@H]1CC(NCC[C@@H]2CCC[N@H+]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019790 1024005119 /nfs/dbraw/zinc/00/51/19/1024005119.db2.gz KBSDMBDWPHTPAP-OPYAIIAOSA-N 2 1 329.532 3.502 20 0 EHADMP Clc1sc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000191693463 1024149640 /nfs/dbraw/zinc/14/96/40/1024149640.db2.gz WROKPBYNNMELFI-SECBINFHSA-N 2 1 349.725 3.738 20 0 EHADMP Clc1sc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000191693463 1024149650 /nfs/dbraw/zinc/14/96/50/1024149650.db2.gz WROKPBYNNMELFI-SECBINFHSA-N 2 1 349.725 3.738 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000514126110 1024153863 /nfs/dbraw/zinc/15/38/63/1024153863.db2.gz DEBQZUMIAYOYHG-GOSISDBHSA-N 2 1 346.506 3.882 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000514126111 1024153931 /nfs/dbraw/zinc/15/39/31/1024153931.db2.gz DEBQZUMIAYOYHG-SFHVURJKSA-N 2 1 346.506 3.882 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004947 1024268299 /nfs/dbraw/zinc/26/82/99/1024268299.db2.gz CKVLLUHMAXOSDH-WKASQICBSA-N 2 1 330.516 3.711 20 0 EHADMP CCc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](CC)CC)cc1 ZINC000645470672 1024294609 /nfs/dbraw/zinc/29/46/09/1024294609.db2.gz JSTFHMCURAUEGU-FKBYEOEOSA-N 2 1 343.559 3.848 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2C)[C@H](C)C1 ZINC000190698167 1024348077 /nfs/dbraw/zinc/34/80/77/1024348077.db2.gz BEZWAJTXRQDZBF-CZUORRHYSA-N 2 1 325.294 3.577 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430113827 1024383694 /nfs/dbraw/zinc/38/36/94/1024383694.db2.gz OEHBNPBCFAKFAW-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430113827 1024383703 /nfs/dbraw/zinc/38/37/03/1024383703.db2.gz OEHBNPBCFAKFAW-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430113827 1024383722 /nfs/dbraw/zinc/38/37/22/1024383722.db2.gz OEHBNPBCFAKFAW-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430113827 1024383740 /nfs/dbraw/zinc/38/37/40/1024383740.db2.gz OEHBNPBCFAKFAW-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000280942924 1024458307 /nfs/dbraw/zinc/45/83/07/1024458307.db2.gz HZLWTUAKFFBYID-UHFFFAOYSA-N 3 1 343.559 3.892 20 0 EHADMP CC(C)N1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000280942924 1024458312 /nfs/dbraw/zinc/45/83/12/1024458312.db2.gz HZLWTUAKFFBYID-UHFFFAOYSA-N 2 1 343.559 3.892 20 0 EHADMP CC(C)N1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000280942924 1024458319 /nfs/dbraw/zinc/45/83/19/1024458319.db2.gz HZLWTUAKFFBYID-UHFFFAOYSA-N 2 1 343.559 3.892 20 0 EHADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346161179 1024473946 /nfs/dbraw/zinc/47/39/46/1024473946.db2.gz DTCWGTZPMPHZEW-RBUKOAKNSA-N 2 1 342.487 3.601 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000514612555 1024604367 /nfs/dbraw/zinc/60/43/67/1024604367.db2.gz PZBZXAGLDPOTTK-SFHVURJKSA-N 2 1 333.451 3.575 20 0 EHADMP C[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931061 1033230650 /nfs/dbraw/zinc/23/06/50/1033230650.db2.gz VIUIBPIGVZDUME-OWLYRPNTSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931061 1033230659 /nfs/dbraw/zinc/23/06/59/1033230659.db2.gz VIUIBPIGVZDUME-OWLYRPNTSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931061 1033230671 /nfs/dbraw/zinc/23/06/71/1033230671.db2.gz VIUIBPIGVZDUME-OWLYRPNTSA-N 2 1 327.497 3.847 20 0 EHADMP Cc1ccc(OCc2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)cc1 ZINC000435368914 1024853350 /nfs/dbraw/zinc/85/33/50/1024853350.db2.gz JTSZICXFNFPGEJ-HNNXBMFYSA-N 2 1 345.512 3.590 20 0 EHADMP Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000514946160 1024904684 /nfs/dbraw/zinc/90/46/84/1024904684.db2.gz BVNAAZLUJSWBEL-UHFFFAOYSA-N 2 1 334.467 3.932 20 0 EHADMP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000514946160 1024904690 /nfs/dbraw/zinc/90/46/90/1024904690.db2.gz BVNAAZLUJSWBEL-UHFFFAOYSA-N 2 1 334.467 3.932 20 0 EHADMP COc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425889 1024911897 /nfs/dbraw/zinc/91/18/97/1024911897.db2.gz FFTTZONLAKFSNS-IBGZPJMESA-N 2 1 342.508 3.901 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424307 1024941681 /nfs/dbraw/zinc/94/16/81/1024941681.db2.gz BPKFKKRZMHWMQN-INWMFGNUSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424307 1024941687 /nfs/dbraw/zinc/94/16/87/1024941687.db2.gz BPKFKKRZMHWMQN-INWMFGNUSA-N 2 1 342.314 3.502 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346610736 1024951087 /nfs/dbraw/zinc/95/10/87/1024951087.db2.gz QPGLFYQVAJIBBT-FOIQADDNSA-N 2 1 338.430 3.741 20 0 EHADMP OC[C@@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060106 1024993150 /nfs/dbraw/zinc/99/31/50/1024993150.db2.gz VQYKEAUASDRGQH-NHCUHLMSSA-N 2 1 342.527 3.714 20 0 EHADMP OC[C@@H](CC1CCCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060106 1024993156 /nfs/dbraw/zinc/99/31/56/1024993156.db2.gz VQYKEAUASDRGQH-NHCUHLMSSA-N 2 1 342.527 3.714 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000474463639 1025008048 /nfs/dbraw/zinc/00/80/48/1025008048.db2.gz FAJGDDDFFZAAJM-KRWDZBQOSA-N 2 1 346.515 3.740 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CCOCC1 ZINC000474464465 1025010536 /nfs/dbraw/zinc/01/05/36/1025010536.db2.gz PHAHBIOJZUCPIL-ZWKOTPCHSA-N 2 1 330.516 3.823 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281438499 1025050702 /nfs/dbraw/zinc/05/07/02/1025050702.db2.gz RYJYTYYSXSGQQS-YLJYHZDGSA-N 2 1 340.515 3.773 20 0 EHADMP CC[NH+]1CCC(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168012557 1025116096 /nfs/dbraw/zinc/11/60/96/1025116096.db2.gz CALQCFHQFJKOAB-RTBURBONSA-N 2 1 343.559 3.750 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000346827264 1025212644 /nfs/dbraw/zinc/21/26/44/1025212644.db2.gz HYHIMFCPPOTETD-YRGRVCCFSA-N 2 1 330.806 3.501 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039652 1025230530 /nfs/dbraw/zinc/23/05/30/1025230530.db2.gz GVDLGUZIJOHCQF-RMFSNUHRSA-N 2 1 330.516 3.786 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346883822 1025254461 /nfs/dbraw/zinc/25/44/61/1025254461.db2.gz ZDHKDJWELOHTFI-HZPDHXFCSA-N 2 1 347.503 3.569 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116396246 1025267528 /nfs/dbraw/zinc/26/75/28/1025267528.db2.gz FUJDMIZNYQPHOQ-SJLPKXTDSA-N 2 1 333.520 3.586 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@](O)(CF)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039927 1025268003 /nfs/dbraw/zinc/26/80/03/1025268003.db2.gz IRRSMTAGFVKNFY-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(CF)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039927 1025268012 /nfs/dbraw/zinc/26/80/12/1025268012.db2.gz IRRSMTAGFVKNFY-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(CF)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039927 1025268022 /nfs/dbraw/zinc/26/80/22/1025268022.db2.gz IRRSMTAGFVKNFY-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CCC(C(C)(C)C)CC3)CC2)C1 ZINC000607734533 1033272874 /nfs/dbraw/zinc/27/28/74/1033272874.db2.gz IEPBKWKARMLVLR-MHJFOBGBSA-N 2 1 335.580 3.551 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665282990 1025302866 /nfs/dbraw/zinc/30/28/66/1025302866.db2.gz FSLKIHKNSRGOSQ-OWCLPIDISA-N 2 1 342.405 3.828 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@H]1C ZINC000346948733 1025343241 /nfs/dbraw/zinc/34/32/41/1025343241.db2.gz FHENYTOPTGBNCR-QAPCUYQASA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@H]1C ZINC000346948733 1025343250 /nfs/dbraw/zinc/34/32/50/1025343250.db2.gz FHENYTOPTGBNCR-QAPCUYQASA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@H]1C ZINC000346948733 1025343259 /nfs/dbraw/zinc/34/32/59/1025343259.db2.gz FHENYTOPTGBNCR-QAPCUYQASA-N 2 1 332.488 3.636 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012369 1025408667 /nfs/dbraw/zinc/40/86/67/1025408667.db2.gz HLYVQWOKBAQXDE-FUHWJXTLSA-N 2 1 334.467 3.585 20 0 EHADMP C[N@@H+](CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442648789 1025409928 /nfs/dbraw/zinc/40/99/28/1025409928.db2.gz LXUUWZKNSUBMRZ-MRXNPFEDSA-N 2 1 325.500 3.879 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(-c2ccccn2)nc1 ZINC000425478128 1025434818 /nfs/dbraw/zinc/43/48/18/1025434818.db2.gz NFIHOVMPPFNVOT-UHFFFAOYSA-N 2 1 349.482 3.815 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(-c2ccccn2)nc1 ZINC000425478128 1025434830 /nfs/dbraw/zinc/43/48/30/1025434830.db2.gz NFIHOVMPPFNVOT-UHFFFAOYSA-N 2 1 349.482 3.815 20 0 EHADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)([NH+](C)C)C1 ZINC000442717350 1025450945 /nfs/dbraw/zinc/45/09/45/1025450945.db2.gz NPTXGYZAFJDLIV-XFQAVAEZSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760750 1025457404 /nfs/dbraw/zinc/45/74/04/1025457404.db2.gz AKSFHQUXYJDWHV-SJORKVTESA-N 2 1 326.440 3.527 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)[C@H](C)C1 ZINC000442784375 1025475683 /nfs/dbraw/zinc/47/56/83/1025475683.db2.gz VTTMQTCIRYYAOK-RDHHWEPZSA-N 2 1 332.479 3.537 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000657362681 1025512284 /nfs/dbraw/zinc/51/22/84/1025512284.db2.gz GBECHRTYVQFTAY-FXAWDEMLSA-N 2 1 343.515 3.703 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C[C@]2(C)CO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042392 1025551399 /nfs/dbraw/zinc/55/13/99/1025551399.db2.gz ZLNURCWMTVVKBL-BAYUQKDNSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C[C@]2(C)CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042392 1025551411 /nfs/dbraw/zinc/55/14/11/1025551411.db2.gz ZLNURCWMTVVKBL-BAYUQKDNSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC(C)(C)C[C@]2(C)CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042392 1025551423 /nfs/dbraw/zinc/55/14/23/1025551423.db2.gz ZLNURCWMTVVKBL-BAYUQKDNSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC(C)(C)C[C@]2(C)CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042392 1025551435 /nfs/dbraw/zinc/55/14/35/1025551435.db2.gz ZLNURCWMTVVKBL-BAYUQKDNSA-N 2 1 344.543 3.911 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCCC2)cc1 ZINC000442878045 1025558381 /nfs/dbraw/zinc/55/83/81/1025558381.db2.gz SDCMMKJJMHNPCM-OAQYLSRUSA-N 2 1 343.559 3.842 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cccs2)C2CCCC2)CC1(C)C ZINC000442893293 1025574189 /nfs/dbraw/zinc/57/41/89/1025574189.db2.gz XQORFPPQOQXMFA-SFHVURJKSA-N 2 1 335.561 3.595 20 0 EHADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436313648 1025576058 /nfs/dbraw/zinc/57/60/58/1025576058.db2.gz XFOOQXDQCHLPJK-CWJKEVGVSA-N 2 1 334.548 3.968 20 0 EHADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2)cs1 ZINC000442899157 1025583027 /nfs/dbraw/zinc/58/30/27/1025583027.db2.gz IXWJCQXOCPRXDD-INIZCTEOSA-N 2 1 345.512 3.591 20 0 EHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277525563 1025676944 /nfs/dbraw/zinc/67/69/44/1025676944.db2.gz PLWQDOYXZPRIGN-SFHVURJKSA-N 2 1 344.478 3.544 20 0 EHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277525563 1025676954 /nfs/dbraw/zinc/67/69/54/1025676954.db2.gz PLWQDOYXZPRIGN-SFHVURJKSA-N 2 1 344.478 3.544 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000443066768 1025686785 /nfs/dbraw/zinc/68/67/85/1025686785.db2.gz SEOJODJTBGTTAS-IBGZPJMESA-N 2 1 338.495 3.853 20 0 EHADMP CC(C)n1nccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880716 1025735651 /nfs/dbraw/zinc/73/56/51/1025735651.db2.gz TYFKMPDJPGZAQT-UYAOXDASSA-N 2 1 340.515 3.854 20 0 EHADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407241 1025779295 /nfs/dbraw/zinc/77/92/95/1025779295.db2.gz GZDKQPYZSJVNSX-WOJBJXKFSA-N 2 1 327.472 3.676 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000530407484 1025782314 /nfs/dbraw/zinc/78/23/14/1025782314.db2.gz MWFHHCVCEYSVDP-UHFFFAOYSA-N 2 1 327.378 3.620 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301341 1025785490 /nfs/dbraw/zinc/78/54/90/1025785490.db2.gz BXDCVRFLSLFCDM-QZTJIDSGSA-N 2 1 342.433 3.638 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000347278747 1025798952 /nfs/dbraw/zinc/79/89/52/1025798952.db2.gz QQQKJTYQGOFCKV-CYBMUJFWSA-N 2 1 325.378 3.773 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000347278747 1025798957 /nfs/dbraw/zinc/79/89/57/1025798957.db2.gz QQQKJTYQGOFCKV-CYBMUJFWSA-N 2 1 325.378 3.773 20 0 EHADMP C[C@H]1CC([N@@H+](C)C2CCC([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168015574 1025859031 /nfs/dbraw/zinc/85/90/31/1025859031.db2.gz RNELKFVDTZXRCH-BEEJXANESA-N 3 1 329.532 3.630 20 0 EHADMP C[C@H]1CC([N@H+](C)C2CCC([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015574 1025859045 /nfs/dbraw/zinc/85/90/45/1025859045.db2.gz RNELKFVDTZXRCH-BEEJXANESA-N 3 1 329.532 3.630 20 0 EHADMP C[C@H]1CC([N@@H+](C)C2CCC([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015574 1025859062 /nfs/dbraw/zinc/85/90/62/1025859062.db2.gz RNELKFVDTZXRCH-BEEJXANESA-N 3 1 329.532 3.630 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015822 1025887063 /nfs/dbraw/zinc/88/70/63/1025887063.db2.gz SLFWZEUDCATXME-OPMZPASUSA-N 2 1 338.495 3.710 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015822 1025887085 /nfs/dbraw/zinc/88/70/85/1025887085.db2.gz SLFWZEUDCATXME-OPMZPASUSA-N 2 1 338.495 3.710 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC[NH+]3CCC[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168052326 1025963652 /nfs/dbraw/zinc/96/36/52/1025963652.db2.gz KNZKOVLIOMNAQW-NPDDRXJXSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168052326 1025963668 /nfs/dbraw/zinc/96/36/68/1025963668.db2.gz KNZKOVLIOMNAQW-NPDDRXJXSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168052326 1025963680 /nfs/dbraw/zinc/96/36/80/1025963680.db2.gz KNZKOVLIOMNAQW-NPDDRXJXSA-N 2 1 341.543 3.598 20 0 EHADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530513102 1025989509 /nfs/dbraw/zinc/98/95/09/1025989509.db2.gz DBNNRNZHUJETKL-GOSISDBHSA-N 2 1 341.499 3.919 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C23CCC(O)(CC2)CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017475 1026080350 /nfs/dbraw/zinc/08/03/50/1026080350.db2.gz ALVHIJLBKMHEEL-WTZSUTJUSA-N 2 1 342.527 3.855 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccccn1 ZINC000158669061 1026235644 /nfs/dbraw/zinc/23/56/44/1026235644.db2.gz XYRVCGUBTZJLTL-QGZVFWFLSA-N 2 1 327.472 3.653 20 0 EHADMP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000190295746 1026352966 /nfs/dbraw/zinc/35/29/66/1026352966.db2.gz WGFOJYMWWKHAJF-UHFFFAOYSA-N 2 1 330.422 3.762 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000530939608 1026421680 /nfs/dbraw/zinc/42/16/80/1026421680.db2.gz DUXGKIRBOVJMCJ-CALCHBBNSA-N 2 1 334.479 3.537 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000125202904 1026476717 /nfs/dbraw/zinc/47/67/17/1026476717.db2.gz JTXPPCTWNDJPLH-ZWKOTPCHSA-N 3 1 329.532 3.532 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000159147024 1026501184 /nfs/dbraw/zinc/50/11/84/1026501184.db2.gz NLEICQQUYHAZHN-CYBMUJFWSA-N 2 1 328.859 3.631 20 0 EHADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000475355513 1026508891 /nfs/dbraw/zinc/50/88/91/1026508891.db2.gz OXRFWEQWMJBWTN-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475355513 1026508899 /nfs/dbraw/zinc/50/88/99/1026508899.db2.gz OXRFWEQWMJBWTN-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475355513 1026508905 /nfs/dbraw/zinc/50/89/05/1026508905.db2.gz OXRFWEQWMJBWTN-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655711139 1026535187 /nfs/dbraw/zinc/53/51/87/1026535187.db2.gz HFFPQILRROBPMQ-IAGOWNOFSA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655711139 1026535193 /nfs/dbraw/zinc/53/51/93/1026535193.db2.gz HFFPQILRROBPMQ-IAGOWNOFSA-N 2 1 344.890 3.551 20 0 EHADMP Clc1ccc2cccnc2c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125258601 1026557973 /nfs/dbraw/zinc/55/79/73/1026557973.db2.gz YEPFUDIMPBWBGE-UHFFFAOYSA-N 2 1 338.842 3.605 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139045 1026950642 /nfs/dbraw/zinc/95/06/42/1026950642.db2.gz CJYLRHOBOUTJKO-KXBFYZLASA-N 2 1 336.907 3.804 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139045 1026950657 /nfs/dbraw/zinc/95/06/57/1026950657.db2.gz CJYLRHOBOUTJKO-KXBFYZLASA-N 2 1 336.907 3.804 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237350916 1026969402 /nfs/dbraw/zinc/96/94/02/1026969402.db2.gz RYUYINUVCHQNQO-QGZVFWFLSA-N 2 1 343.515 3.779 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3noc4ccccc34)CC2)cc1 ZINC000657533681 1027012847 /nfs/dbraw/zinc/01/28/47/1027012847.db2.gz NQBYTHDLDQIYNP-UHFFFAOYSA-N 2 1 349.478 3.667 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531610599 1027085399 /nfs/dbraw/zinc/08/53/99/1027085399.db2.gz PPSADNFAXZCNLU-IAGOWNOFSA-N 2 1 348.494 3.809 20 0 EHADMP Cc1nccn1CCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000125542404 1027090546 /nfs/dbraw/zinc/09/05/46/1027090546.db2.gz RJPMSDDGLBPZSP-FQEVSTJZSA-N 2 1 326.488 3.573 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000125542404 1027090557 /nfs/dbraw/zinc/09/05/57/1027090557.db2.gz RJPMSDDGLBPZSP-FQEVSTJZSA-N 2 1 326.488 3.573 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000125542404 1027090567 /nfs/dbraw/zinc/09/05/67/1027090567.db2.gz RJPMSDDGLBPZSP-FQEVSTJZSA-N 2 1 326.488 3.573 20 0 EHADMP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123327665 1027173482 /nfs/dbraw/zinc/17/34/82/1027173482.db2.gz JUTOMCWHEZSRJM-CQSZACIVSA-N 2 1 348.516 3.913 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000531677655 1027202321 /nfs/dbraw/zinc/20/23/21/1027202321.db2.gz FVJVTXDVFBLPQV-MJGOQNOKSA-N 2 1 343.540 3.696 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561704 1027303325 /nfs/dbraw/zinc/30/33/25/1027303325.db2.gz KNGIVBVCXPSZKV-RTWAWAEBSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561704 1027303342 /nfs/dbraw/zinc/30/33/42/1027303342.db2.gz KNGIVBVCXPSZKV-RTWAWAEBSA-N 2 1 342.527 3.978 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000453125196 1027404521 /nfs/dbraw/zinc/40/45/21/1027404521.db2.gz OFTXYGNLOZWRFQ-AOIWGVFYSA-N 2 1 346.544 3.642 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000453125196 1027404527 /nfs/dbraw/zinc/40/45/27/1027404527.db2.gz OFTXYGNLOZWRFQ-AOIWGVFYSA-N 2 1 346.544 3.642 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453133499 1027434482 /nfs/dbraw/zinc/43/44/82/1027434482.db2.gz WUCWBGCLLILKFW-FKBYEOEOSA-N 2 1 342.527 3.836 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000453138466 1027444998 /nfs/dbraw/zinc/44/49/98/1027444998.db2.gz JNJQEQUBYMKZSV-NJDAHSKKSA-N 2 1 339.458 3.754 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000453138466 1027445011 /nfs/dbraw/zinc/44/50/11/1027445011.db2.gz JNJQEQUBYMKZSV-NJDAHSKKSA-N 2 1 339.458 3.754 20 0 EHADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000420321158 1027469855 /nfs/dbraw/zinc/46/98/55/1027469855.db2.gz QVIGOVHZYXULRH-CQSZACIVSA-N 2 1 325.294 3.659 20 0 EHADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420322192 1027469911 /nfs/dbraw/zinc/46/99/11/1027469911.db2.gz SIAGGDKUKYNEPE-DNVCBOLYSA-N 2 1 344.890 3.541 20 0 EHADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420327898 1027478718 /nfs/dbraw/zinc/47/87/18/1027478718.db2.gz ZCESDPWZJADMNY-CABCVRRESA-N 2 1 344.421 3.714 20 0 EHADMP Brc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)s1 ZINC000420363177 1027490950 /nfs/dbraw/zinc/49/09/50/1027490950.db2.gz BIJJTTTUQCKLHB-NWDGAFQWSA-N 2 1 329.307 3.647 20 0 EHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000420370451 1027494819 /nfs/dbraw/zinc/49/48/19/1027494819.db2.gz VTBPMJDXEDTRHP-HNNXBMFYSA-N 2 1 332.410 3.827 20 0 EHADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420377490 1027498514 /nfs/dbraw/zinc/49/85/14/1027498514.db2.gz SATMRVFPUDZNFH-QZTJIDSGSA-N 2 1 331.504 3.505 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000501773262 1027520459 /nfs/dbraw/zinc/52/04/59/1027520459.db2.gz IBUBMBQACHTBQL-KRWDZBQOSA-N 2 1 336.495 3.957 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420409974 1027528935 /nfs/dbraw/zinc/52/89/35/1027528935.db2.gz XUAQHXFHCYARRX-XLIONFOSSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420409974 1027528941 /nfs/dbraw/zinc/52/89/41/1027528941.db2.gz XUAQHXFHCYARRX-XLIONFOSSA-N 2 1 325.456 3.614 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1 ZINC000639758665 1027714857 /nfs/dbraw/zinc/71/48/57/1027714857.db2.gz XDFPHDVQBGDGMT-UHFFFAOYSA-N 2 1 345.487 3.867 20 0 EHADMP CC(C)OC1CC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000582790771 1027719475 /nfs/dbraw/zinc/71/94/75/1027719475.db2.gz FCRGEHHJJJOAOF-QNGMFEMESA-N 2 1 330.516 3.834 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000414656454 1027721826 /nfs/dbraw/zinc/72/18/26/1027721826.db2.gz MVWRUDLHNULLBP-SFHVURJKSA-N 2 1 340.467 3.919 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000414656454 1027721849 /nfs/dbraw/zinc/72/18/49/1027721849.db2.gz MVWRUDLHNULLBP-SFHVURJKSA-N 2 1 340.467 3.919 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000582790289 1027729972 /nfs/dbraw/zinc/72/99/72/1027729972.db2.gz VTXCKIOFDAMHAQ-NCYKPQTJSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000582790289 1027729991 /nfs/dbraw/zinc/72/99/91/1027729991.db2.gz VTXCKIOFDAMHAQ-NCYKPQTJSA-N 2 1 330.516 3.863 20 0 EHADMP C[C@@H]1C[C@H](N(C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338809 1027730688 /nfs/dbraw/zinc/73/06/88/1027730688.db2.gz GVUIYJDZXCKLPS-VQIMIIECSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@H](N(C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338809 1027730700 /nfs/dbraw/zinc/73/07/00/1027730700.db2.gz GVUIYJDZXCKLPS-VQIMIIECSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338809 1027730720 /nfs/dbraw/zinc/73/07/20/1027730720.db2.gz GVUIYJDZXCKLPS-VQIMIIECSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338809 1027730739 /nfs/dbraw/zinc/73/07/39/1027730739.db2.gz GVUIYJDZXCKLPS-VQIMIIECSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338809 1027730753 /nfs/dbraw/zinc/73/07/53/1027730753.db2.gz GVUIYJDZXCKLPS-VQIMIIECSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338809 1027730773 /nfs/dbraw/zinc/73/07/73/1027730773.db2.gz GVUIYJDZXCKLPS-VQIMIIECSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414666905 1027770468 /nfs/dbraw/zinc/77/04/68/1027770468.db2.gz XBJGCJPGHRASAK-VQIMIIECSA-N 2 1 342.458 3.964 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000422708207 1027864007 /nfs/dbraw/zinc/86/40/07/1027864007.db2.gz IKTGINNSYMGHQB-ROOHIHILSA-N 2 1 344.405 3.871 20 0 EHADMP FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC12CCC2 ZINC000582127027 1027890198 /nfs/dbraw/zinc/89/01/98/1027890198.db2.gz DIOSUGSNEKTBDE-KRWDZBQOSA-N 2 1 338.417 3.887 20 0 EHADMP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1 ZINC000420948171 1027908291 /nfs/dbraw/zinc/90/82/91/1027908291.db2.gz OZUICCSOCWSDMD-UHFFFAOYSA-N 2 1 342.458 3.683 20 0 EHADMP Cc1cnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000428366541 1027928512 /nfs/dbraw/zinc/92/85/12/1027928512.db2.gz YKHYDPSVLPJRRW-MSOLQXFVSA-N 2 1 330.520 3.823 20 0 EHADMP C[C@@H]([NH2+]C1(C[NH2+]C2CCC(C[NH3+])CC2)CCCC1)c1ccccc1 ZINC000422764914 1027944352 /nfs/dbraw/zinc/94/43/52/1027944352.db2.gz OUSNZTBJWLFNLA-PGYGNJIDSA-N 3 1 329.532 3.757 20 0 EHADMP COc1cccc(C([NH2+][C@H](C)C[C@@H](C)[NH3+])c2cccc(OC)c2)c1 ZINC000422817917 1027983503 /nfs/dbraw/zinc/98/35/03/1027983503.db2.gz FGHFQXHBNGFWDL-HUUCEWRRSA-N 2 1 328.456 3.509 20 0 EHADMP OCC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000421019927 1028010219 /nfs/dbraw/zinc/01/02/19/1028010219.db2.gz QKOFFVIFZFQIMQ-LJQANCHMSA-N 2 1 330.516 3.657 20 0 EHADMP Cc1sc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)nc1-c1ccccc1 ZINC000422931383 1028060757 /nfs/dbraw/zinc/06/07/57/1028060757.db2.gz XOKJUCKQJFVTQI-CYBMUJFWSA-N 2 1 338.480 3.819 20 0 EHADMP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(C)cc2)cc1 ZINC000422932628 1028061853 /nfs/dbraw/zinc/06/18/53/1028061853.db2.gz GDJBJPYQHZIENL-XQXKNUKBSA-N 2 1 336.479 3.966 20 0 EHADMP Brc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000533534597 1028067820 /nfs/dbraw/zinc/06/78/20/1028067820.db2.gz SVSPUXLWIJZDFB-QAPCUYQASA-N 2 1 349.316 3.898 20 0 EHADMP Brc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422941356 1028067925 /nfs/dbraw/zinc/06/79/25/1028067925.db2.gz HVKBMPAPRWGJOS-GOSISDBHSA-N 2 1 345.284 3.880 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423026120 1028135362 /nfs/dbraw/zinc/13/53/62/1028135362.db2.gz ANMLKWCRGHWTJK-IFMALSPDSA-N 2 1 346.478 3.764 20 0 EHADMP Fc1ccc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423030438 1028137853 /nfs/dbraw/zinc/13/78/53/1028137853.db2.gz JSPMKIFNCRHVQJ-XBENKTBESA-N 2 1 346.490 3.599 20 0 EHADMP Cc1ccc2c(CC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])cn(C)c2c1 ZINC000423059320 1028153970 /nfs/dbraw/zinc/15/39/70/1028153970.db2.gz LPQGOEFURVSRBD-DYESRHJHSA-N 2 1 335.495 3.577 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2CC)[C@H](C)C1 ZINC000444682788 1028154518 /nfs/dbraw/zinc/15/45/18/1028154518.db2.gz BWCWQFBYQPGOFF-WIYYLYMNSA-N 2 1 332.532 3.518 20 0 EHADMP Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)cc1 ZINC000423089533 1028176069 /nfs/dbraw/zinc/17/60/69/1028176069.db2.gz VIMNLNKUCRRSFK-VGOFRKELSA-N 2 1 346.478 3.992 20 0 EHADMP COCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423100942 1028183362 /nfs/dbraw/zinc/18/33/62/1028183362.db2.gz NCJRSOGWBMOBGF-HZPDHXFCSA-N 2 1 345.512 3.564 20 0 EHADMP CC(C)CCn1nc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c2ccccc21 ZINC000423153919 1028214062 /nfs/dbraw/zinc/21/40/62/1028214062.db2.gz ODGGGNHYSTXSTM-AEFFLSMTSA-N 2 1 328.504 3.560 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000421368842 1028321486 /nfs/dbraw/zinc/32/14/86/1028321486.db2.gz GQZZNRMIJVRHQJ-UHFFFAOYSA-N 2 1 341.543 3.556 20 0 EHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000423291822 1028329003 /nfs/dbraw/zinc/32/90/03/1028329003.db2.gz JYWLQGXNUJJQRY-JKSUJKDBSA-N 2 1 349.482 3.755 20 0 EHADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000423291819 1028329919 /nfs/dbraw/zinc/32/99/19/1028329919.db2.gz JYWLQGXNUJJQRY-CVEARBPZSA-N 2 1 349.482 3.755 20 0 EHADMP [NH3+]C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000423269218 1028331061 /nfs/dbraw/zinc/33/10/61/1028331061.db2.gz VQBDHIQBPZDDAE-YUMYIRISSA-N 2 1 341.543 3.679 20 0 EHADMP COc1ccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270674 1028335692 /nfs/dbraw/zinc/33/56/92/1028335692.db2.gz IJMLUTJTZQWUJS-NHCUHLMSSA-N 2 1 342.483 3.561 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272589 1028336200 /nfs/dbraw/zinc/33/62/00/1028336200.db2.gz JWFRVDMFXGTHKD-CABCVRRESA-N 2 1 333.476 3.900 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2([NH3+])CCC2)CCC3)cc1 ZINC000423321015 1028352554 /nfs/dbraw/zinc/35/25/54/1028352554.db2.gz HAIQAVQYMFCAQY-OAHLLOKOSA-N 2 1 343.496 3.667 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294380 1028353907 /nfs/dbraw/zinc/35/39/07/1028353907.db2.gz UITURBVJASZTBH-OCYFJXFZSA-N 3 1 349.522 3.992 20 0 EHADMP C[C@@H]([NH3+])c1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000423294380 1028353919 /nfs/dbraw/zinc/35/39/19/1028353919.db2.gz UITURBVJASZTBH-OCYFJXFZSA-N 2 1 349.522 3.992 20 0 EHADMP C[C@@H]([NH3+])c1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294380 1028353936 /nfs/dbraw/zinc/35/39/36/1028353936.db2.gz UITURBVJASZTBH-OCYFJXFZSA-N 2 1 349.522 3.992 20 0 EHADMP CC[C@H]([NH2+][C@H]1CNCC[C@H]1c1ccc(OC)cc1)c1cccs1 ZINC000423332322 1028366597 /nfs/dbraw/zinc/36/65/97/1028366597.db2.gz NDWMTEARJDYCMY-BZSNNMDCSA-N 2 1 330.497 3.943 20 0 EHADMP CCCCCCOc1cccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729683382 1028417727 /nfs/dbraw/zinc/41/77/27/1028417727.db2.gz MCGDNOMZTSELEX-TZIWHRDSSA-N 2 1 346.515 3.599 20 0 EHADMP CCCCCCOc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729683382 1028417730 /nfs/dbraw/zinc/41/77/30/1028417730.db2.gz MCGDNOMZTSELEX-TZIWHRDSSA-N 2 1 346.515 3.599 20 0 EHADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168265266 1028424465 /nfs/dbraw/zinc/42/44/65/1028424465.db2.gz QDQQDNHGXWCBAS-VCOUNFBDSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168265266 1028424472 /nfs/dbraw/zinc/42/44/72/1028424472.db2.gz QDQQDNHGXWCBAS-VCOUNFBDSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168265266 1028424480 /nfs/dbraw/zinc/42/44/80/1028424480.db2.gz QDQQDNHGXWCBAS-VCOUNFBDSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423439676 1028445982 /nfs/dbraw/zinc/44/59/82/1028445982.db2.gz HWQOGHWXTUSHBK-HLTSFMKQSA-N 2 1 339.199 3.854 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1Br ZINC000423478159 1028462038 /nfs/dbraw/zinc/46/20/38/1028462038.db2.gz MURUTOGVXTYFGY-FZMZJTMJSA-N 2 1 347.247 3.735 20 0 EHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc2ccccc21 ZINC000423502343 1028470218 /nfs/dbraw/zinc/47/02/18/1028470218.db2.gz DVKACIYEVYKYKD-QHGAOEGBSA-N 2 1 337.511 3.707 20 0 EHADMP Clc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)cc1 ZINC000423510217 1028486880 /nfs/dbraw/zinc/48/68/80/1028486880.db2.gz MIDQZNPBJNFEBB-MHJFOBGBSA-N 2 1 347.934 3.597 20 0 EHADMP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCS2 ZINC000423524378 1028499052 /nfs/dbraw/zinc/49/90/52/1028499052.db2.gz JHGVKDUEKDLESE-AWEZNQCLSA-N 2 1 341.318 3.718 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)ccc1F ZINC000423527415 1028499957 /nfs/dbraw/zinc/49/99/57/1028499957.db2.gz MLGSWKUHKNRJBE-FGSOGITGSA-N 2 1 332.463 3.639 20 0 EHADMP COCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583024233 1028576796 /nfs/dbraw/zinc/57/67/96/1028576796.db2.gz QBTYMEJQOJKCKB-HXUWFJFHSA-N 2 1 342.527 3.980 20 0 EHADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583024233 1028576805 /nfs/dbraw/zinc/57/68/05/1028576805.db2.gz QBTYMEJQOJKCKB-HXUWFJFHSA-N 2 1 342.527 3.980 20 0 EHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136074 1028583009 /nfs/dbraw/zinc/58/30/09/1028583009.db2.gz XOVBXAJVWRXETL-NVXWUHKLSA-N 2 1 330.497 3.929 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000247222499 1028759528 /nfs/dbraw/zinc/75/95/28/1028759528.db2.gz XUMWYPLHINTNMQ-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1 ZINC000247480083 1028791781 /nfs/dbraw/zinc/79/17/81/1028791781.db2.gz UINVCBIUWFKBPX-FGTMMUONSA-N 2 1 339.483 3.542 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424259075 1028915080 /nfs/dbraw/zinc/91/50/80/1028915080.db2.gz MMGLESPTOUAWCO-GOSISDBHSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1csc([C@H]2CCCC[N@@H+]2C[C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302256 1028939200 /nfs/dbraw/zinc/93/92/00/1028939200.db2.gz LXOIOACPZNYMAY-DOTOQJQBSA-N 2 1 333.476 3.860 20 0 EHADMP Cc1csc([C@H]2CCCC[N@H+]2C[C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302256 1028939219 /nfs/dbraw/zinc/93/92/19/1028939219.db2.gz LXOIOACPZNYMAY-DOTOQJQBSA-N 2 1 333.476 3.860 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268809 1028942575 /nfs/dbraw/zinc/94/25/75/1028942575.db2.gz LRKGMJOUXRTIOJ-GFEQUFNTSA-N 2 1 348.556 3.753 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268809 1028942596 /nfs/dbraw/zinc/94/25/96/1028942596.db2.gz LRKGMJOUXRTIOJ-GFEQUFNTSA-N 2 1 348.556 3.753 20 0 EHADMP c1csc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414781638 1028986681 /nfs/dbraw/zinc/98/66/81/1028986681.db2.gz NISPHIYARGLSNC-ZIAGYGMSSA-N 2 1 333.526 3.693 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783820 1029002324 /nfs/dbraw/zinc/00/23/24/1029002324.db2.gz GQAQDHPTHJTQNF-UHFFFAOYSA-N 2 1 346.478 3.689 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](c3ccco3)N(C)C)CC2)C1 ZINC000154095350 1029015332 /nfs/dbraw/zinc/01/53/32/1029015332.db2.gz ZPXCFVSPXQTZFE-WDSOQIARSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](c3ccco3)[NH+](C)C)CC2)C1 ZINC000154095350 1029015343 /nfs/dbraw/zinc/01/53/43/1029015343.db2.gz ZPXCFVSPXQTZFE-WDSOQIARSA-N 2 1 333.520 3.515 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC[C@@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502191 1029111948 /nfs/dbraw/zinc/11/19/48/1029111948.db2.gz BIAOWOOLGLMTDP-HBMCJLEFSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC[C@@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502191 1029111953 /nfs/dbraw/zinc/11/19/53/1029111953.db2.gz BIAOWOOLGLMTDP-HBMCJLEFSA-N 2 1 340.511 3.731 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414804284 1029217763 /nfs/dbraw/zinc/21/77/63/1029217763.db2.gz XDKAXKNEIKYJGZ-QGZVFWFLSA-N 2 1 340.496 3.674 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809533 1029260279 /nfs/dbraw/zinc/26/02/79/1029260279.db2.gz GVBQYTWADHAYOD-QWHCGFSZSA-N 2 1 345.409 3.530 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000414813524 1029309102 /nfs/dbraw/zinc/30/91/02/1029309102.db2.gz TYHXYILCHBAZGY-FIKGOQFSSA-N 3 1 329.532 3.839 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000583234337 1029350362 /nfs/dbraw/zinc/35/03/62/1029350362.db2.gz PEYPLXUJTDGSIQ-PSWRPDDJSA-N 2 1 343.559 3.892 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000583234337 1029350373 /nfs/dbraw/zinc/35/03/73/1029350373.db2.gz PEYPLXUJTDGSIQ-PSWRPDDJSA-N 2 1 343.559 3.892 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000583234337 1029350386 /nfs/dbraw/zinc/35/03/86/1029350386.db2.gz PEYPLXUJTDGSIQ-PSWRPDDJSA-N 2 1 343.559 3.892 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000124965110 1029382314 /nfs/dbraw/zinc/38/23/14/1029382314.db2.gz OQAJUZWFOZOJAA-PPRPKMEESA-N 2 1 325.456 3.789 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279732 1029396216 /nfs/dbraw/zinc/39/62/16/1029396216.db2.gz CRLTZWQWIKAZMT-SVMVAKDDSA-N 2 1 338.495 3.740 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155108129 1029424192 /nfs/dbraw/zinc/42/41/92/1029424192.db2.gz DSPWVEUVVKAJLC-APWZRJJASA-N 2 1 327.472 3.512 20 0 EHADMP COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC(F)F ZINC000078687456 1029427865 /nfs/dbraw/zinc/42/78/65/1029427865.db2.gz ZIBZUBVLWDBNDC-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC(F)F ZINC000078687456 1029427873 /nfs/dbraw/zinc/42/78/73/1029427873.db2.gz ZIBZUBVLWDBNDC-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1OC(F)F ZINC000078687456 1029427884 /nfs/dbraw/zinc/42/78/84/1029427884.db2.gz ZIBZUBVLWDBNDC-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1OC(F)F ZINC000078687456 1029427889 /nfs/dbraw/zinc/42/78/89/1029427889.db2.gz ZIBZUBVLWDBNDC-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP c1csc(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000272443104 1029462659 /nfs/dbraw/zinc/46/26/59/1029462659.db2.gz UFLWZVIHTOGIFL-REPLKXPHSA-N 2 1 341.524 3.861 20 0 EHADMP Nc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000261710768 1029487328 /nfs/dbraw/zinc/48/73/28/1029487328.db2.gz PPJBXYZNAAHPTC-JOCHJYFZSA-N 2 1 335.495 3.757 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261784040 1029504929 /nfs/dbraw/zinc/50/49/29/1029504929.db2.gz FRQQNIGSTFNGCB-RHSMWYFYSA-N 2 1 330.422 3.766 20 0 EHADMP COc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc1 ZINC001279151322 1029588806 /nfs/dbraw/zinc/58/88/06/1029588806.db2.gz GWVMRTLOBYVPMR-UHFFFAOYSA-N 2 1 336.479 3.674 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750987 1029639863 /nfs/dbraw/zinc/63/98/63/1029639863.db2.gz MITGGRVNMSBOLA-RYBIEJRYSA-N 2 1 334.891 3.586 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721455 1029832135 /nfs/dbraw/zinc/83/21/35/1029832135.db2.gz UUEBQVWWPOMORJ-YJMBLLCNSA-N 2 1 344.543 3.938 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921542 1029854975 /nfs/dbraw/zinc/85/49/75/1029854975.db2.gz SKFHIDUWZSSIAI-ABSDTBQOSA-N 2 1 338.499 3.736 20 0 EHADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000428696264 1029945460 /nfs/dbraw/zinc/94/54/60/1029945460.db2.gz YHSCSBDFSXUBLK-CQSZACIVSA-N 2 1 348.288 3.918 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000453264565 1029995885 /nfs/dbraw/zinc/99/58/85/1029995885.db2.gz AEXKXJMWFXBCGH-KVPLUYHFSA-N 2 1 346.515 3.625 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000453264565 1029995898 /nfs/dbraw/zinc/99/58/98/1029995898.db2.gz AEXKXJMWFXBCGH-KVPLUYHFSA-N 2 1 346.515 3.625 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000525709589 1030048626 /nfs/dbraw/zinc/04/86/26/1030048626.db2.gz RENDBEFFBJBFAN-ZFWWWQNUSA-N 2 1 340.895 3.710 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000525709589 1030048643 /nfs/dbraw/zinc/04/86/43/1030048643.db2.gz RENDBEFFBJBFAN-ZFWWWQNUSA-N 2 1 340.895 3.710 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932156 1030087148 /nfs/dbraw/zinc/08/71/48/1030087148.db2.gz ZIKUHXVQSICMMW-HKUYNNGSSA-N 2 1 343.540 3.696 20 0 EHADMP c1ccc(C2CC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000128149120 1030089732 /nfs/dbraw/zinc/08/97/32/1030089732.db2.gz JQZZPTDDVGJVQU-UHFFFAOYSA-N 2 1 328.500 3.557 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000090407985 1030113009 /nfs/dbraw/zinc/11/30/09/1030113009.db2.gz HCVLLGSQKHYQIJ-YJBOKZPZSA-N 2 1 329.513 3.667 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000090407985 1030113015 /nfs/dbraw/zinc/11/30/15/1030113015.db2.gz HCVLLGSQKHYQIJ-YJBOKZPZSA-N 2 1 329.513 3.667 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000090585874 1030139322 /nfs/dbraw/zinc/13/93/22/1030139322.db2.gz ICHDLVZHJNJENV-OALUTQOASA-N 3 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000090585874 1030139334 /nfs/dbraw/zinc/13/93/34/1030139334.db2.gz ICHDLVZHJNJENV-OALUTQOASA-N 3 1 340.515 3.891 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964032 1030150295 /nfs/dbraw/zinc/15/02/95/1030150295.db2.gz MIAMXQJQKGQIII-JTDSTZFVSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000531964032 1030150301 /nfs/dbraw/zinc/15/03/01/1030150301.db2.gz MIAMXQJQKGQIII-JTDSTZFVSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453386747 1030166079 /nfs/dbraw/zinc/16/60/79/1030166079.db2.gz PGSCKOLIGREHAK-AZUAARDMSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cc2[nH]c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020090 1030176205 /nfs/dbraw/zinc/17/62/05/1030176205.db2.gz WSQILLHNCPDCKH-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1cc2[nH]c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020090 1030176216 /nfs/dbraw/zinc/17/62/16/1030176216.db2.gz WSQILLHNCPDCKH-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1cc2[nH]c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020090 1030176231 /nfs/dbraw/zinc/17/62/31/1030176231.db2.gz WSQILLHNCPDCKH-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020090 1030176243 /nfs/dbraw/zinc/17/62/43/1030176243.db2.gz WSQILLHNCPDCKH-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550797203 1030186217 /nfs/dbraw/zinc/18/62/17/1030186217.db2.gz OFYVRCIBELIXIP-ZCNNSNEGSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550797203 1030186225 /nfs/dbraw/zinc/18/62/25/1030186225.db2.gz OFYVRCIBELIXIP-ZCNNSNEGSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550797203 1030186231 /nfs/dbraw/zinc/18/62/31/1030186231.db2.gz OFYVRCIBELIXIP-ZCNNSNEGSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453406437 1030214919 /nfs/dbraw/zinc/21/49/19/1030214919.db2.gz FYRQWAOSHKGUEB-HOJAQTOUSA-N 2 1 330.516 3.692 20 0 EHADMP CCC(C)(C)OCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000453408784 1030218383 /nfs/dbraw/zinc/21/83/83/1030218383.db2.gz NQFHQCOUWJWDFJ-UHFFFAOYSA-N 2 1 336.495 3.627 20 0 EHADMP CC(C)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000453407513 1030218848 /nfs/dbraw/zinc/21/88/48/1030218848.db2.gz RZHLWFJSDGWHMB-SFHVURJKSA-N 2 1 331.460 3.695 20 0 EHADMP C[C@H]([NH2+]CCOCC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453411171 1030223802 /nfs/dbraw/zinc/22/38/02/1030223802.db2.gz XKEJORHGHNRIDX-GHTZIAJQSA-N 2 1 330.516 3.693 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCC2 ZINC000453415024 1030229675 /nfs/dbraw/zinc/22/96/75/1030229675.db2.gz WYSAFSZQQAGIOD-INIZCTEOSA-N 2 1 348.487 3.606 20 0 EHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000482153714 1030231174 /nfs/dbraw/zinc/23/11/74/1030231174.db2.gz DRJHXQZKKGSNMZ-HBMCJLEFSA-N 2 1 335.580 3.717 20 0 EHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000482153715 1030232784 /nfs/dbraw/zinc/23/27/84/1030232784.db2.gz DRJHXQZKKGSNMZ-PCCBWWKXSA-N 2 1 335.580 3.717 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000447529996 1030253666 /nfs/dbraw/zinc/25/36/66/1030253666.db2.gz LLUZWEJRPBEXRB-KJJMTIBFSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)c1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000728572356 1030306880 /nfs/dbraw/zinc/30/68/80/1030306880.db2.gz YTVZOYQMIIORQU-UHFFFAOYSA-N 2 1 345.531 3.801 20 0 EHADMP CC(C)c1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000728572356 1030306887 /nfs/dbraw/zinc/30/68/87/1030306887.db2.gz YTVZOYQMIIORQU-UHFFFAOYSA-N 2 1 345.531 3.801 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447587159 1030324180 /nfs/dbraw/zinc/32/41/80/1030324180.db2.gz PCOVVEIMRNDWJD-CITFFXKNSA-N 2 1 342.527 3.977 20 0 EHADMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168347457 1030399550 /nfs/dbraw/zinc/39/95/50/1030399550.db2.gz KXLIWXFJQNHDBW-UHFFFAOYSA-N 2 1 349.950 3.545 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000157324252 1030455919 /nfs/dbraw/zinc/45/59/19/1030455919.db2.gz CHBZZDMPQANUQO-JTQLQIEISA-N 2 1 331.685 3.662 20 0 EHADMP FC(F)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000526974119 1030533008 /nfs/dbraw/zinc/53/30/08/1030533008.db2.gz FFQYMGQDHTWNTQ-UHFFFAOYSA-N 2 1 346.421 3.746 20 0 EHADMP C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000482625950 1030599362 /nfs/dbraw/zinc/59/93/62/1030599362.db2.gz DHKNPLKZKQJDQE-CEXWTWQISA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000482625950 1030599368 /nfs/dbraw/zinc/59/93/68/1030599368.db2.gz DHKNPLKZKQJDQE-CEXWTWQISA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H]1C[C@@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000482702548 1030654770 /nfs/dbraw/zinc/65/47/70/1030654770.db2.gz BNMPOKWKHNSICZ-UNMCSNQZSA-N 2 1 343.559 3.847 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093769492 1030670906 /nfs/dbraw/zinc/67/09/06/1030670906.db2.gz BQKMPIPUTYLLSD-UHFFFAOYSA-N 2 1 343.515 3.738 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681849 1030744811 /nfs/dbraw/zinc/74/48/11/1030744811.db2.gz JMWROZLYCJWGFP-IOMROCGXSA-N 2 1 348.531 3.873 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)cc(Cl)c1 ZINC000482890924 1030786643 /nfs/dbraw/zinc/78/66/43/1030786643.db2.gz RPTLIGDUUJHTPD-GUYCJALGSA-N 2 1 345.314 3.881 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172202 1030846953 /nfs/dbraw/zinc/84/69/53/1030846953.db2.gz HQHCUGDTPGGZJO-KDOFPFPSSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172202 1030846976 /nfs/dbraw/zinc/84/69/76/1030846976.db2.gz HQHCUGDTPGGZJO-KDOFPFPSSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000668172202 1030846997 /nfs/dbraw/zinc/84/69/97/1030846997.db2.gz HQHCUGDTPGGZJO-KDOFPFPSSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000668172202 1030847021 /nfs/dbraw/zinc/84/70/21/1030847021.db2.gz HQHCUGDTPGGZJO-KDOFPFPSSA-N 2 1 329.513 3.891 20 0 EHADMP CCc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272554 1030885016 /nfs/dbraw/zinc/88/50/16/1030885016.db2.gz AMXVIXCONXOAGV-SFTDATJTSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272554 1030885033 /nfs/dbraw/zinc/88/50/33/1030885033.db2.gz AMXVIXCONXOAGV-SFTDATJTSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272554 1030885095 /nfs/dbraw/zinc/88/50/95/1030885095.db2.gz AMXVIXCONXOAGV-SFTDATJTSA-N 2 1 335.495 3.598 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006242 1030902855 /nfs/dbraw/zinc/90/28/55/1030902855.db2.gz UBHSLZRZFPQXMZ-HMXCVIKNSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006242 1030902865 /nfs/dbraw/zinc/90/28/65/1030902865.db2.gz UBHSLZRZFPQXMZ-HMXCVIKNSA-N 3 1 329.532 3.534 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000157875177 1030925560 /nfs/dbraw/zinc/92/55/60/1030925560.db2.gz GWECDNRHRALLHM-SJORKVTESA-N 2 1 332.488 3.763 20 0 EHADMP COCc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000151171461 1030937359 /nfs/dbraw/zinc/93/73/59/1030937359.db2.gz OOKVCETXRBBBQE-UHFFFAOYSA-N 2 1 334.479 3.859 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000483247587 1031056824 /nfs/dbraw/zinc/05/68/24/1031056824.db2.gz BYBXMUCEKCMOGJ-SIKLNZKXSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000483247587 1031056842 /nfs/dbraw/zinc/05/68/42/1031056842.db2.gz BYBXMUCEKCMOGJ-SIKLNZKXSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000483247587 1031056855 /nfs/dbraw/zinc/05/68/55/1031056855.db2.gz BYBXMUCEKCMOGJ-SIKLNZKXSA-N 2 1 340.511 3.924 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000343484171 1031069316 /nfs/dbraw/zinc/06/93/16/1031069316.db2.gz YAWVDHWIKSCURM-JTSKRJEESA-N 2 1 336.479 3.857 20 0 EHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CCC1CCCCC1 ZINC000483324694 1031117196 /nfs/dbraw/zinc/11/71/96/1031117196.db2.gz PESSWYJVFAOGSL-OAQYLSRUSA-N 2 1 330.516 3.703 20 0 EHADMP COc1cncc(/C=C/CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000583931816 1031158545 /nfs/dbraw/zinc/15/85/45/1031158545.db2.gz GYKYIHFTIBYDPG-XBOJITRKSA-N 2 1 343.515 3.736 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000477162566 1031297302 /nfs/dbraw/zinc/29/73/02/1031297302.db2.gz KHHQTIINFMLDIR-UHFFFAOYSA-N 2 1 332.536 3.942 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000477162566 1031297316 /nfs/dbraw/zinc/29/73/16/1031297316.db2.gz KHHQTIINFMLDIR-UHFFFAOYSA-N 2 1 332.536 3.942 20 0 EHADMP COCCC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000527937922 1031462589 /nfs/dbraw/zinc/46/25/89/1031462589.db2.gz WLIQMTLBUWGAFF-ZBYYUNFXSA-N 2 1 342.527 3.931 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000484142744 1031466939 /nfs/dbraw/zinc/46/69/39/1031466939.db2.gz ZVVBMLFXPLBOLW-DYXWJJEUSA-N 2 1 332.532 3.825 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000484142748 1031467491 /nfs/dbraw/zinc/46/74/91/1031467491.db2.gz ZVVBMLFXPLBOLW-ZVDOUQERSA-N 2 1 332.532 3.825 20 0 EHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000657825600 1031639139 /nfs/dbraw/zinc/63/91/39/1031639139.db2.gz OGEJCHWMDVVGIT-INIZCTEOSA-N 2 1 339.321 3.844 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000551789522 1031669454 /nfs/dbraw/zinc/66/94/54/1031669454.db2.gz PLKVGWUCKPYXDK-ZIAGYGMSSA-N 2 1 325.884 3.516 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[C@H](C)C1 ZINC000647321920 1031706302 /nfs/dbraw/zinc/70/63/02/1031706302.db2.gz XRVYHQIUMMWGKY-XUWXXGDYSA-N 2 1 345.918 3.999 20 0 EHADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000180363440 1031843503 /nfs/dbraw/zinc/84/35/03/1031843503.db2.gz CMPVENLRAJWQRA-QGZVFWFLSA-N 2 1 344.528 3.599 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000180363440 1031843516 /nfs/dbraw/zinc/84/35/16/1031843516.db2.gz CMPVENLRAJWQRA-QGZVFWFLSA-N 2 1 344.528 3.599 20 0 EHADMP C[C@@]1(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000904313464 1031939270 /nfs/dbraw/zinc/93/92/70/1031939270.db2.gz UTTIUWYKZYTHEV-LJQANCHMSA-N 2 1 334.891 3.624 20 0 EHADMP CC(C)(C)CC[C@H]([NH3+])CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000904349003 1031967740 /nfs/dbraw/zinc/96/77/40/1031967740.db2.gz ZFYSPQXUYFZNDL-KRWDZBQOSA-N 2 1 332.536 3.552 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000685470889 1033374362 /nfs/dbraw/zinc/37/43/62/1033374362.db2.gz ZLHVUSLXGGXVNC-YTQUADARSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000685470889 1033374373 /nfs/dbraw/zinc/37/43/73/1033374373.db2.gz ZLHVUSLXGGXVNC-YTQUADARSA-N 2 1 346.515 3.789 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000685470889 1033374387 /nfs/dbraw/zinc/37/43/87/1033374387.db2.gz ZLHVUSLXGGXVNC-YTQUADARSA-N 2 1 346.515 3.789 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000594515508 1033422709 /nfs/dbraw/zinc/42/27/09/1033422709.db2.gz SWOFUSDXKGNMFE-HUUCEWRRSA-N 2 1 343.471 3.809 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccncc3)C3CC3)CC2)cc1 ZINC000898322820 1033434786 /nfs/dbraw/zinc/43/47/86/1033434786.db2.gz RYHBTJQYCBELAH-QFIPXVFZSA-N 2 1 335.495 3.829 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000657900653 1033442357 /nfs/dbraw/zinc/44/23/57/1033442357.db2.gz JJGHFHRCKZMCRT-AFVILVPDSA-N 2 1 330.516 3.977 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000657900653 1033442361 /nfs/dbraw/zinc/44/23/61/1033442361.db2.gz JJGHFHRCKZMCRT-AFVILVPDSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000305796660 1033518932 /nfs/dbraw/zinc/51/89/32/1033518932.db2.gz VUUAEKLZRQUUEO-MRXNPFEDSA-N 2 1 335.451 3.566 20 0 EHADMP CCSC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000594986506 1033619139 /nfs/dbraw/zinc/61/91/39/1033619139.db2.gz DDLBXNLMVAJINW-UHFFFAOYSA-N 2 1 336.520 3.708 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000655768081 1033722477 /nfs/dbraw/zinc/72/24/77/1033722477.db2.gz PBABRDYZTQACJW-FPOVZHCZSA-N 2 1 328.500 3.605 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccn21 ZINC000574994035 1033753428 /nfs/dbraw/zinc/75/34/28/1033753428.db2.gz LEQBCWZZXKSBGE-QGZVFWFLSA-N 2 1 328.504 3.668 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@H]2CCC[N@H+](C(C)C)C2)c2ccccn21 ZINC000574994035 1033753442 /nfs/dbraw/zinc/75/34/42/1033753442.db2.gz LEQBCWZZXKSBGE-QGZVFWFLSA-N 2 1 328.504 3.668 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4COC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000657970075 1033770696 /nfs/dbraw/zinc/77/06/96/1033770696.db2.gz ANIKYCIFMRIEGU-BQJUDKOJSA-N 2 1 340.511 3.588 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000658005174 1033835809 /nfs/dbraw/zinc/83/58/09/1033835809.db2.gz WTFJVFCVAGLPTB-GOSISDBHSA-N 2 1 336.470 3.965 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000658005174 1033835821 /nfs/dbraw/zinc/83/58/21/1033835821.db2.gz WTFJVFCVAGLPTB-GOSISDBHSA-N 2 1 336.470 3.965 20 0 EHADMP C(c1noc2c1CCCC2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000595563731 1033845016 /nfs/dbraw/zinc/84/50/16/1033845016.db2.gz MGHVSWATAFNUMB-UHFFFAOYSA-N 2 1 331.504 3.641 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000658058812 1033871128 /nfs/dbraw/zinc/87/11/28/1033871128.db2.gz USQZVMGNAFLFIY-HNAYVOBHSA-N 2 1 326.488 3.704 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCOCC3)[C@H]1c1cccs1 ZINC000548858198 1033886968 /nfs/dbraw/zinc/88/69/68/1033886968.db2.gz WVKLYXCYRQJQBA-NJAFHUGGSA-N 2 1 334.529 3.680 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCOCC3)[C@H]1c1cccs1 ZINC000548858198 1033886983 /nfs/dbraw/zinc/88/69/83/1033886983.db2.gz WVKLYXCYRQJQBA-NJAFHUGGSA-N 2 1 334.529 3.680 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000550708320 1033897959 /nfs/dbraw/zinc/89/79/59/1033897959.db2.gz HZOKCFTWDUAZDV-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[N@H+](C)CC1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000550708320 1033897971 /nfs/dbraw/zinc/89/79/71/1033897971.db2.gz HZOKCFTWDUAZDV-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[N@@H+](C)CC1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000550708320 1033897984 /nfs/dbraw/zinc/89/79/84/1033897984.db2.gz HZOKCFTWDUAZDV-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[NH+](C)CC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550708320 1033897999 /nfs/dbraw/zinc/89/79/99/1033897999.db2.gz HZOKCFTWDUAZDV-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[NH+](C)CC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000550708320 1033898006 /nfs/dbraw/zinc/89/80/06/1033898006.db2.gz HZOKCFTWDUAZDV-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCc1ccc2[nH+]ccc(N3CC[NH+](Cc4cccnc4)CC3)c2c1 ZINC000450235225 1033954331 /nfs/dbraw/zinc/95/43/31/1033954331.db2.gz WTGPBSFEGJHPAS-UHFFFAOYSA-N 2 1 332.451 3.514 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145218 1033992974 /nfs/dbraw/zinc/99/29/74/1033992974.db2.gz QGFWEJCNVPHLAW-YWZLYKJASA-N 2 1 344.886 3.757 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000658137457 1033999646 /nfs/dbraw/zinc/99/96/46/1033999646.db2.gz GWKUTGYFLHUBKE-NQIIRXRSSA-N 2 1 338.495 3.721 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C)cc1 ZINC000658139145 1034004259 /nfs/dbraw/zinc/00/42/59/1034004259.db2.gz LGQGTUNLBKIGNA-FCHUYYIVSA-N 2 1 338.495 3.803 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614781 1034154267 /nfs/dbraw/zinc/15/42/67/1034154267.db2.gz IMVYAKPIKFQJCQ-TZMCWYRMSA-N 2 1 330.394 3.732 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614781 1034154281 /nfs/dbraw/zinc/15/42/81/1034154281.db2.gz IMVYAKPIKFQJCQ-TZMCWYRMSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614781 1034154290 /nfs/dbraw/zinc/15/42/90/1034154290.db2.gz IMVYAKPIKFQJCQ-TZMCWYRMSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614781 1034154302 /nfs/dbraw/zinc/15/43/02/1034154302.db2.gz IMVYAKPIKFQJCQ-TZMCWYRMSA-N 2 1 330.394 3.732 20 0 EHADMP CC[N@@H+](CCCCn1ccnc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000121158340 1034477433 /nfs/dbraw/zinc/47/74/33/1034477433.db2.gz PCOZZYWILOZQHJ-QGZVFWFLSA-N 2 1 329.488 3.933 20 0 EHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000121158340 1034477445 /nfs/dbraw/zinc/47/74/45/1034477445.db2.gz PCOZZYWILOZQHJ-QGZVFWFLSA-N 2 1 329.488 3.933 20 0 EHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000121158340 1034477454 /nfs/dbraw/zinc/47/74/54/1034477454.db2.gz PCOZZYWILOZQHJ-QGZVFWFLSA-N 2 1 329.488 3.933 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@H]1c1ccccc1 ZINC000340310141 1034491386 /nfs/dbraw/zinc/49/13/86/1034491386.db2.gz QNQKIDBLVSWFRO-ICSRJNTNSA-N 2 1 334.467 3.531 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@H]1c1ccccc1 ZINC000340310141 1034491392 /nfs/dbraw/zinc/49/13/92/1034491392.db2.gz QNQKIDBLVSWFRO-ICSRJNTNSA-N 2 1 334.467 3.531 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450758617 1034779963 /nfs/dbraw/zinc/77/99/63/1034779963.db2.gz NRQCJCYQMSPEEI-IKGGRYGDSA-N 2 1 332.479 3.539 20 0 EHADMP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918441 1034798185 /nfs/dbraw/zinc/79/81/85/1034798185.db2.gz RUAXOQWSZBPONN-LPHOPBHVSA-N 2 1 336.907 3.835 20 0 EHADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918441 1034798194 /nfs/dbraw/zinc/79/81/94/1034798194.db2.gz RUAXOQWSZBPONN-LPHOPBHVSA-N 2 1 336.907 3.835 20 0 EHADMP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918442 1034798391 /nfs/dbraw/zinc/79/83/91/1034798391.db2.gz RUAXOQWSZBPONN-QFBILLFUSA-N 2 1 336.907 3.835 20 0 EHADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918442 1034798403 /nfs/dbraw/zinc/79/84/03/1034798403.db2.gz RUAXOQWSZBPONN-QFBILLFUSA-N 2 1 336.907 3.835 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000375894998 1034852603 /nfs/dbraw/zinc/85/26/03/1034852603.db2.gz IMDPKOIZQJSTPB-NSKBAKJYSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278794051 1034861713 /nfs/dbraw/zinc/86/17/13/1034861713.db2.gz QTXGVNMCAREQDO-HNAYVOBHSA-N 2 1 327.447 3.529 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3csc(C(F)(F)F)c3)C2)CC1 ZINC000628280084 1034941009 /nfs/dbraw/zinc/94/10/09/1034941009.db2.gz PFLOPWQCXHDZRE-CQSZACIVSA-N 2 1 332.435 3.931 20 0 EHADMP Cc1nccnc1[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282266622 1035566704 /nfs/dbraw/zinc/56/67/04/1035566704.db2.gz AGWJGTAZVIPGAI-PKOBYXMFSA-N 2 1 338.499 3.736 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282266622 1035566716 /nfs/dbraw/zinc/56/67/16/1035566716.db2.gz AGWJGTAZVIPGAI-PKOBYXMFSA-N 2 1 338.499 3.736 20 0 EHADMP COC[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1F ZINC000571668825 1035582771 /nfs/dbraw/zinc/58/27/71/1035582771.db2.gz XAHPPKSTAGNVMV-YOEHRIQHSA-N 2 1 342.886 3.877 20 0 EHADMP CSc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000173781659 1035749608 /nfs/dbraw/zinc/74/96/08/1035749608.db2.gz NMNWQISMVRJCHU-QGZVFWFLSA-N 2 1 334.529 3.738 20 0 EHADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000173781659 1035749629 /nfs/dbraw/zinc/74/96/29/1035749629.db2.gz NMNWQISMVRJCHU-QGZVFWFLSA-N 2 1 334.529 3.738 20 0 EHADMP CO[C@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376285446 1035845472 /nfs/dbraw/zinc/84/54/72/1035845472.db2.gz MQWKYHCVPCEKPM-PMACEKPBSA-N 2 1 340.552 3.549 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000414177598 1035912916 /nfs/dbraw/zinc/91/29/16/1035912916.db2.gz JXBWTOLJRVTSCU-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP COC1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000414185301 1035949648 /nfs/dbraw/zinc/94/96/48/1035949648.db2.gz PHCOERAEIKRTQK-UHFFFAOYSA-N 2 1 330.516 3.977 20 0 EHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000588770578 1036015769 /nfs/dbraw/zinc/01/57/69/1036015769.db2.gz QIHQSHGPVWKSNF-IBGZPJMESA-N 2 1 346.519 3.524 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000464067061 1036084857 /nfs/dbraw/zinc/08/48/57/1036084857.db2.gz SYRMYZNDLMDALA-QHAWAJNXSA-N 2 1 330.516 3.823 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000535232559 1036190945 /nfs/dbraw/zinc/19/09/45/1036190945.db2.gz GROJHWYHJKPRPT-QGZVFWFLSA-N 2 1 349.588 3.723 20 0 EHADMP C[C@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000190723310 1036264653 /nfs/dbraw/zinc/26/46/53/1036264653.db2.gz UBUGZQXTSMDJLF-OYNPSCLESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000190723310 1036264671 /nfs/dbraw/zinc/26/46/71/1036264671.db2.gz UBUGZQXTSMDJLF-OYNPSCLESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000190723310 1036264686 /nfs/dbraw/zinc/26/46/86/1036264686.db2.gz UBUGZQXTSMDJLF-OYNPSCLESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892584499 1036317759 /nfs/dbraw/zinc/31/77/59/1036317759.db2.gz LAMPGPCKXOPCOU-GFCCVEGCSA-N 2 1 335.439 3.906 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892584499 1036317780 /nfs/dbraw/zinc/31/77/80/1036317780.db2.gz LAMPGPCKXOPCOU-GFCCVEGCSA-N 2 1 335.439 3.906 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191406300 1036378151 /nfs/dbraw/zinc/37/81/51/1036378151.db2.gz ATGXOQPAEOPHOJ-UHFFFAOYSA-N 2 1 329.282 3.596 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000589637774 1036568306 /nfs/dbraw/zinc/56/83/06/1036568306.db2.gz ABDHIPIYQUFGHD-UHFFFAOYSA-N 2 1 336.483 3.705 20 0 EHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000414326065 1036683316 /nfs/dbraw/zinc/68/33/16/1036683316.db2.gz AGLGOOAZWHSIBO-CDJZJNNCSA-N 2 1 342.527 3.570 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916920 1036764550 /nfs/dbraw/zinc/76/45/50/1036764550.db2.gz HEBIZTYQFOJNMT-NHYWBVRUSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916920 1036764578 /nfs/dbraw/zinc/76/45/78/1036764578.db2.gz HEBIZTYQFOJNMT-NHYWBVRUSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310282536 1036804900 /nfs/dbraw/zinc/80/49/00/1036804900.db2.gz WRNCXPCCQKSTDL-YJBOKZPZSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310282536 1036804924 /nfs/dbraw/zinc/80/49/24/1036804924.db2.gz WRNCXPCCQKSTDL-YJBOKZPZSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc2ccccc21 ZINC000177322361 1036814430 /nfs/dbraw/zinc/81/44/30/1036814430.db2.gz NAQNXIJQUUGTQO-IEBWSBKVSA-N 2 1 326.484 3.727 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc2ccccc21 ZINC000177322349 1036815330 /nfs/dbraw/zinc/81/53/30/1036815330.db2.gz NAQNXIJQUUGTQO-PKOBYXMFSA-N 2 1 326.484 3.727 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000177544198 1036870473 /nfs/dbraw/zinc/87/04/73/1036870473.db2.gz ASALVYHCDDFDJU-PMACEKPBSA-N 2 1 345.531 3.520 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310875010 1036918157 /nfs/dbraw/zinc/91/81/57/1036918157.db2.gz VARDKJRDUWQLBJ-FYZZASKESA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCc3sc(Br)cc32)CC[N@H+]1C ZINC000310911014 1036924944 /nfs/dbraw/zinc/92/49/44/1036924944.db2.gz FAWOYCUXGJKUFS-FOGDFJRCSA-N 2 1 329.307 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)CCN1C ZINC000310911014 1036924961 /nfs/dbraw/zinc/92/49/61/1036924961.db2.gz FAWOYCUXGJKUFS-FOGDFJRCSA-N 2 1 329.307 3.570 20 0 EHADMP C[C@H]([NH2+]CCc1noc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000653609919 1036941366 /nfs/dbraw/zinc/94/13/66/1036941366.db2.gz KYXLMJAKZYUACK-PKOBYXMFSA-N 2 1 349.478 3.871 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000647545782 1037119035 /nfs/dbraw/zinc/11/90/35/1037119035.db2.gz RRMSKKYOPKNYFP-YTQUADARSA-N 2 1 346.515 3.694 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092744 1037203312 /nfs/dbraw/zinc/20/33/12/1037203312.db2.gz ZDSNKEDRACATMW-FPOVZHCZSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000462672697 1037249249 /nfs/dbraw/zinc/24/92/49/1037249249.db2.gz ATUFAXPSFPQJCU-IYBDPMFKSA-N 2 1 340.458 3.788 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000539851592 1037282493 /nfs/dbraw/zinc/28/24/93/1037282493.db2.gz VICRZQDXDXAERU-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000539851592 1037282511 /nfs/dbraw/zinc/28/25/11/1037282511.db2.gz VICRZQDXDXAERU-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000539851592 1037282524 /nfs/dbraw/zinc/28/25/24/1037282524.db2.gz VICRZQDXDXAERU-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000532442337 1037292931 /nfs/dbraw/zinc/29/29/31/1037292931.db2.gz PBWNBXWDFVGSFS-MJGOQNOKSA-N 2 1 343.540 3.696 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000573124055 1037293799 /nfs/dbraw/zinc/29/37/99/1037293799.db2.gz SFHFRYNNFOEDHS-ZWKOTPCHSA-N 2 1 337.467 3.695 20 0 EHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000532450015 1037319552 /nfs/dbraw/zinc/31/95/52/1037319552.db2.gz BRMAYXVXGRZLEI-SIKLNZKXSA-N 2 1 337.511 3.716 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423392433 1037339546 /nfs/dbraw/zinc/33/95/46/1037339546.db2.gz QDEJUKVLBZWOJF-HLLBOEOZSA-N 2 1 349.272 3.991 20 0 EHADMP C[C@H](CCc1ccsc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000462787376 1037398096 /nfs/dbraw/zinc/39/80/96/1037398096.db2.gz BIRCZDKCIRXDQC-QGZVFWFLSA-N 2 1 336.545 3.694 20 0 EHADMP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328382 1037469835 /nfs/dbraw/zinc/46/98/35/1037469835.db2.gz KNWQDQRNHBQNCF-HOTGVXAUSA-N 2 1 345.874 3.817 20 0 EHADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000177312583 1037472385 /nfs/dbraw/zinc/47/23/85/1037472385.db2.gz GMGWYNALUSXNLL-CTNGQTDRSA-N 2 1 338.499 3.548 20 0 EHADMP CC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000532496978 1037541973 /nfs/dbraw/zinc/54/19/73/1037541973.db2.gz LVPKMDNVJSQSKU-MOPGFXCFSA-N 2 1 343.540 3.778 20 0 EHADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1OCc1ccccc1 ZINC000491600115 1037578174 /nfs/dbraw/zinc/57/81/74/1037578174.db2.gz YVFBUCGTXOESMV-KRWDZBQOSA-N 2 1 342.483 3.562 20 0 EHADMP Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C)CO1 ZINC000573498405 1037590339 /nfs/dbraw/zinc/59/03/39/1037590339.db2.gz DIXHVOBARVUYQL-VGOFRKELSA-N 2 1 336.479 3.603 20 0 EHADMP CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000540168944 1037635997 /nfs/dbraw/zinc/63/59/97/1037635997.db2.gz INYDCUWSRPITAD-RTWAWAEBSA-N 2 1 346.515 3.849 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653898 1037673407 /nfs/dbraw/zinc/67/34/07/1037673407.db2.gz BJWZLYHWPZOXEH-QMMLZNLJSA-N 2 1 330.516 3.962 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000540222833 1037722684 /nfs/dbraw/zinc/72/26/84/1037722684.db2.gz WHGVFVVVNBDOML-NMIHRBCNSA-N 2 1 344.543 3.938 20 0 EHADMP CC(C)c1cc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000540286451 1037782629 /nfs/dbraw/zinc/78/26/29/1037782629.db2.gz AWQWFQRUSKFGGH-BBWFWOEESA-N 2 1 345.535 3.508 20 0 EHADMP CC(C)c1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000540286451 1037782648 /nfs/dbraw/zinc/78/26/48/1037782648.db2.gz AWQWFQRUSKFGGH-BBWFWOEESA-N 2 1 345.535 3.508 20 0 EHADMP COc1cccc([C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000173209642 1037977972 /nfs/dbraw/zinc/97/79/72/1037977972.db2.gz IDNWHPDGAZTZFW-KSZLIROESA-N 2 1 346.515 3.577 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463274135 1037979310 /nfs/dbraw/zinc/97/93/10/1037979310.db2.gz DBLYZDRHUWKINI-KCZVDYSFSA-N 2 1 343.559 3.894 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000584557348 1038010687 /nfs/dbraw/zinc/01/06/87/1038010687.db2.gz UCEPEAMTAOEDIW-UZLBHIALSA-N 2 1 344.499 3.606 20 0 EHADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000123543762 1038035711 /nfs/dbraw/zinc/03/57/11/1038035711.db2.gz XISNAYMBOUFPDU-HNNXBMFYSA-N 2 1 348.288 3.637 20 0 EHADMP Cc1nccn1CCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000125475403 1038333320 /nfs/dbraw/zinc/33/33/20/1038333320.db2.gz AZYRTTAOXHEOCG-IBGZPJMESA-N 2 1 346.563 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000125475403 1038333338 /nfs/dbraw/zinc/33/33/38/1038333338.db2.gz AZYRTTAOXHEOCG-IBGZPJMESA-N 3 1 346.563 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000125475403 1038333351 /nfs/dbraw/zinc/33/33/51/1038333351.db2.gz AZYRTTAOXHEOCG-IBGZPJMESA-N 3 1 346.563 3.948 20 0 EHADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163937186 1038415741 /nfs/dbraw/zinc/41/57/41/1038415741.db2.gz MONXNUCQLGUMIU-QZTJIDSGSA-N 2 1 348.531 3.700 20 0 EHADMP Clc1cnc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000648377540 1038479914 /nfs/dbraw/zinc/47/99/14/1038479914.db2.gz LNVFFWJTOAUEOF-CQSZACIVSA-N 2 1 333.863 3.789 20 0 EHADMP Clc1cnc2oc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000648377540 1038479920 /nfs/dbraw/zinc/47/99/20/1038479920.db2.gz LNVFFWJTOAUEOF-CQSZACIVSA-N 2 1 333.863 3.789 20 0 EHADMP COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1O ZINC000538724605 1038492991 /nfs/dbraw/zinc/49/29/91/1038492991.db2.gz SGXKIRWYSSHHRJ-KRWDZBQOSA-N 2 1 346.515 3.877 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(CCSc2ccc(F)cc2F)C1 ZINC000659982526 1038612096 /nfs/dbraw/zinc/61/20/96/1038612096.db2.gz PUXFAMFWCYYFNL-AWEZNQCLSA-N 2 1 328.472 3.721 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cn(C)cn1 ZINC000924680274 1038630415 /nfs/dbraw/zinc/63/04/15/1038630415.db2.gz PPGQYSNWPBVHBB-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cn(C)cn1 ZINC000924680274 1038630421 /nfs/dbraw/zinc/63/04/21/1038630421.db2.gz PPGQYSNWPBVHBB-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)cc1 ZINC000539051622 1038654832 /nfs/dbraw/zinc/65/48/32/1038654832.db2.gz ADWGIUGPCRFDPJ-JOCHJYFZSA-N 2 1 335.495 3.829 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3N(C)C)CC2)C1 ZINC000539070164 1038670605 /nfs/dbraw/zinc/67/06/05/1038670605.db2.gz HOXINABUHWYVOG-FXAWDEMLSA-N 2 1 329.532 3.885 20 0 EHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccco3)cc2)C[C@H]1C ZINC000539223481 1038738298 /nfs/dbraw/zinc/73/82/98/1038738298.db2.gz DTFCBRLDAFEDSZ-HDICACEKSA-N 2 1 342.483 3.579 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000539310338 1038766527 /nfs/dbraw/zinc/76/65/27/1038766527.db2.gz RVQXLESIQIQYSM-MRXNPFEDSA-N 2 1 334.504 3.865 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000479917249 1038894315 /nfs/dbraw/zinc/89/43/15/1038894315.db2.gz ZNUPWNCJEMVYCH-IAGOWNOFSA-N 2 1 334.504 3.927 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898388888 1038939611 /nfs/dbraw/zinc/93/96/11/1038939611.db2.gz WKHINWXRDQNWPE-MSYGRNIXSA-N 2 1 348.490 3.602 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898388888 1038939621 /nfs/dbraw/zinc/93/96/21/1038939621.db2.gz WKHINWXRDQNWPE-MSYGRNIXSA-N 2 1 348.490 3.602 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552110673 1038969810 /nfs/dbraw/zinc/96/98/10/1038969810.db2.gz ZBCLITADCLLXRB-UHWDDTASSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552110673 1038969821 /nfs/dbraw/zinc/96/98/21/1038969821.db2.gz ZBCLITADCLLXRB-UHWDDTASSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552110673 1038969839 /nfs/dbraw/zinc/96/98/39/1038969839.db2.gz ZBCLITADCLLXRB-UHWDDTASSA-N 2 1 328.500 3.654 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000477911481 1039014862 /nfs/dbraw/zinc/01/48/62/1039014862.db2.gz HSLXNMMFIQFRQK-ICSRJNTNSA-N 3 1 335.580 3.741 20 0 EHADMP CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552251356 1039130213 /nfs/dbraw/zinc/13/02/13/1039130213.db2.gz SYUVJONSQSXROF-QHAWAJNXSA-N 2 1 344.543 3.675 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518752 1039188951 /nfs/dbraw/zinc/18/89/51/1039188951.db2.gz LCWWBQRSPPUAPC-CDJZJNNCSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898522001 1039198014 /nfs/dbraw/zinc/19/80/14/1039198014.db2.gz HTUZKJMZSVNOJV-CEXWTWQISA-N 2 1 341.524 3.842 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000552318912 1039201491 /nfs/dbraw/zinc/20/14/91/1039201491.db2.gz ARASJHOKZACSST-CCKFTAQKSA-N 2 1 336.907 3.880 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356160 1039207480 /nfs/dbraw/zinc/20/74/80/1039207480.db2.gz GCOMEFMZXNAPJT-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356160 1039207495 /nfs/dbraw/zinc/20/74/95/1039207495.db2.gz GCOMEFMZXNAPJT-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356160 1039207512 /nfs/dbraw/zinc/20/75/12/1039207512.db2.gz GCOMEFMZXNAPJT-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356160 1039207527 /nfs/dbraw/zinc/20/75/27/1039207527.db2.gz GCOMEFMZXNAPJT-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000237166499 1039315083 /nfs/dbraw/zinc/31/50/83/1039315083.db2.gz NBLNSCMUOOCHME-UHFFFAOYSA-N 2 1 343.515 3.779 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552919612 1039637108 /nfs/dbraw/zinc/63/71/08/1039637108.db2.gz JLGUPZXCEXIKFJ-SXLOBPIMSA-N 2 1 332.532 3.672 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552919612 1039637117 /nfs/dbraw/zinc/63/71/17/1039637117.db2.gz JLGUPZXCEXIKFJ-SXLOBPIMSA-N 2 1 332.532 3.672 20 0 EHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629519792 1039646063 /nfs/dbraw/zinc/64/60/63/1039646063.db2.gz CNVKHOOUDSSWJZ-MRXNPFEDSA-N 2 1 340.895 3.533 20 0 EHADMP c1c2ccncc2sc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000667709013 1039764395 /nfs/dbraw/zinc/76/43/95/1039764395.db2.gz RADKRSDYXVMZRI-YJBOKZPZSA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709013 1039764408 /nfs/dbraw/zinc/76/44/08/1039764408.db2.gz RADKRSDYXVMZRI-YJBOKZPZSA-N 2 1 327.497 3.745 20 0 EHADMP c1c2ccncc2sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667709013 1039764423 /nfs/dbraw/zinc/76/44/23/1039764423.db2.gz RADKRSDYXVMZRI-YJBOKZPZSA-N 2 1 327.497 3.745 20 0 EHADMP Brc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047972642 1039769507 /nfs/dbraw/zinc/76/95/07/1039769507.db2.gz CVPOXKBPGUKPSM-UHFFFAOYSA-N 2 1 337.305 3.757 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000489335762 1039843326 /nfs/dbraw/zinc/84/33/26/1039843326.db2.gz ZKXCPOLQWLUSHO-KNQAVFIVSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558702 1040029212 /nfs/dbraw/zinc/02/92/12/1040029212.db2.gz KOCYJMGAQQDPGM-GVXVVHGQSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558702 1040029223 /nfs/dbraw/zinc/02/92/23/1040029223.db2.gz KOCYJMGAQQDPGM-GVXVVHGQSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447537 1040269178 /nfs/dbraw/zinc/26/91/78/1040269178.db2.gz QATPSYVVNISKPF-DOTOQJQBSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447537 1040269196 /nfs/dbraw/zinc/26/91/96/1040269196.db2.gz QATPSYVVNISKPF-DOTOQJQBSA-N 2 1 329.875 3.908 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000481025635 1040285593 /nfs/dbraw/zinc/28/55/93/1040285593.db2.gz QUABVFDDYWWQQB-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000310875840 1040311439 /nfs/dbraw/zinc/31/14/39/1040311439.db2.gz GWVHXNQYGJXNFM-LEWJYISDSA-N 2 1 342.527 3.838 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540066 1040332047 /nfs/dbraw/zinc/33/20/47/1040332047.db2.gz HHIGUQMOIFSOOD-QWHCGFSZSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540066 1040332058 /nfs/dbraw/zinc/33/20/58/1040332058.db2.gz HHIGUQMOIFSOOD-QWHCGFSZSA-N 2 1 348.288 3.557 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000479519909 1040339541 /nfs/dbraw/zinc/33/95/41/1040339541.db2.gz XGUZZMYUDQEQAU-JSXRDJHFSA-N 2 1 344.543 3.674 20 0 EHADMP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000567642590 1040458861 /nfs/dbraw/zinc/45/88/61/1040458861.db2.gz XUBOYBLUUIOJKM-AUUYWEPGSA-N 2 1 344.890 3.635 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000567642592 1040459937 /nfs/dbraw/zinc/45/99/37/1040459937.db2.gz XUBOYBLUUIOJKM-KUHUBIRLSA-N 2 1 344.890 3.635 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087712 1040471769 /nfs/dbraw/zinc/47/17/69/1040471769.db2.gz CTBIMZUWJOZDRT-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087712 1040471778 /nfs/dbraw/zinc/47/17/78/1040471778.db2.gz CTBIMZUWJOZDRT-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087712 1040471784 /nfs/dbraw/zinc/47/17/84/1040471784.db2.gz CTBIMZUWJOZDRT-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000500087712 1040471790 /nfs/dbraw/zinc/47/17/90/1040471790.db2.gz CTBIMZUWJOZDRT-VQIMIIECSA-N 2 1 346.515 3.947 20 0 EHADMP COC1(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000555380623 1040507574 /nfs/dbraw/zinc/50/75/74/1040507574.db2.gz ZTIFPJWFVQJSQO-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380623 1040507593 /nfs/dbraw/zinc/50/75/93/1040507593.db2.gz ZTIFPJWFVQJSQO-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380623 1040507610 /nfs/dbraw/zinc/50/76/10/1040507610.db2.gz ZTIFPJWFVQJSQO-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP COc1ccc(CC[N@@H+](CCC2CC[NH2+]CC2)CC(C)C)cc1OC ZINC000479694309 1040536080 /nfs/dbraw/zinc/53/60/80/1040536080.db2.gz UFISREDZYMZUIP-UHFFFAOYSA-N 2 1 348.531 3.594 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000364298155 1040720456 /nfs/dbraw/zinc/72/04/56/1040720456.db2.gz DZMONNUNMSAEHP-UHFFFAOYSA-N 2 1 330.863 3.809 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000364298155 1040720473 /nfs/dbraw/zinc/72/04/73/1040720473.db2.gz DZMONNUNMSAEHP-UHFFFAOYSA-N 2 1 330.863 3.809 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000481404809 1040851019 /nfs/dbraw/zinc/85/10/19/1040851019.db2.gz OEUABJBYLGHVQJ-SIKLNZKXSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000481404809 1040851030 /nfs/dbraw/zinc/85/10/30/1040851030.db2.gz OEUABJBYLGHVQJ-SIKLNZKXSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000481404809 1040851046 /nfs/dbraw/zinc/85/10/46/1040851046.db2.gz OEUABJBYLGHVQJ-SIKLNZKXSA-N 2 1 343.559 3.751 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000390528451 1040866925 /nfs/dbraw/zinc/86/69/25/1040866925.db2.gz KLIMXMLQWCMCJS-YUMYIRISSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000390528451 1040866935 /nfs/dbraw/zinc/86/69/35/1040866935.db2.gz KLIMXMLQWCMCJS-YUMYIRISSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccnn1C ZINC000192670773 1040875379 /nfs/dbraw/zinc/87/53/79/1040875379.db2.gz RVTVLZVYAJDBGZ-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058357 1040894256 /nfs/dbraw/zinc/89/42/56/1040894256.db2.gz GNZOAIIBPKCNFW-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058357 1040894268 /nfs/dbraw/zinc/89/42/68/1040894268.db2.gz GNZOAIIBPKCNFW-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000549881779 1040895184 /nfs/dbraw/zinc/89/51/84/1040895184.db2.gz AGZJSGWNEMZLHD-HXUWFJFHSA-N 2 1 342.527 3.838 20 0 EHADMP COCCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364362893 1040998829 /nfs/dbraw/zinc/99/88/29/1040998829.db2.gz XBKGSGGBZGMXQF-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398093919 1041013021 /nfs/dbraw/zinc/01/30/21/1041013021.db2.gz KCPKOMZCJNHUCI-KBXCAEBGSA-N 2 1 329.513 3.760 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398093919 1041013035 /nfs/dbraw/zinc/01/30/35/1041013035.db2.gz KCPKOMZCJNHUCI-KBXCAEBGSA-N 2 1 329.513 3.760 20 0 EHADMP COc1c(C)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1C ZINC001212144789 1041115327 /nfs/dbraw/zinc/11/53/27/1041115327.db2.gz CSXLESZKYATVMC-INIZCTEOSA-N 2 1 346.475 3.530 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001169093081 1132651673 /nfs/dbraw/zinc/65/16/73/1132651673.db2.gz FLQATVANHAGZLY-FIQHERPVSA-N 2 1 329.307 3.786 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433330088 1041294788 /nfs/dbraw/zinc/29/47/88/1041294788.db2.gz ATGUQFYXRMULCT-DOTOQJQBSA-N 2 1 330.476 3.660 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411546 1041901511 /nfs/dbraw/zinc/90/15/11/1041901511.db2.gz HDUFFTXRGZQEHF-WMZOPIPTSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411544 1041901680 /nfs/dbraw/zinc/90/16/80/1041901680.db2.gz HDUFFTXRGZQEHF-FUHWJXTLSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Cc4nccn4C)C3)cc2c1C ZINC000473120250 1042210963 /nfs/dbraw/zinc/21/09/63/1042210963.db2.gz GAXLMHVKFWWJPA-KRWDZBQOSA-N 2 1 336.483 3.973 20 0 EHADMP C[C@@H](COCC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287105 1042309998 /nfs/dbraw/zinc/30/99/98/1042309998.db2.gz NPLBCLPFGRCYTE-LRGNLBRXSA-N 2 1 328.500 3.587 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(Cl)cccc2Cl)C1 ZINC000652361113 1042419250 /nfs/dbraw/zinc/41/92/50/1042419250.db2.gz YLPMJTJKWKAKID-CSMYWGQOSA-N 2 1 343.298 3.854 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCc2ccc(Cl)cc2)C1 ZINC000652361927 1042420181 /nfs/dbraw/zinc/42/01/81/1042420181.db2.gz SUIZSCPMJMCWLJ-QRVBRYPASA-N 2 1 336.907 3.633 20 0 EHADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245654472 1042501897 /nfs/dbraw/zinc/50/18/97/1042501897.db2.gz DFYXPDUPVXZLHK-KOUNCHBCSA-N 2 1 335.495 3.718 20 0 EHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278860989 1042625114 /nfs/dbraw/zinc/62/51/14/1042625114.db2.gz AXWZGPWFQJCNJF-KBPBESRZSA-N 2 1 333.863 3.848 20 0 EHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662261975 1042640118 /nfs/dbraw/zinc/64/01/18/1042640118.db2.gz CPTQYPIRIOSNSG-CQSZACIVSA-N 2 1 329.513 3.853 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OCC ZINC000278863081 1042660597 /nfs/dbraw/zinc/66/05/97/1042660597.db2.gz BAKHWDJVMBVAKS-HOTGVXAUSA-N 2 1 343.471 3.594 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662296549 1042666761 /nfs/dbraw/zinc/66/67/61/1042666761.db2.gz LXDXGGGWOLIBGJ-IBGZPJMESA-N 2 1 339.483 3.862 20 0 EHADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1 ZINC000662312384 1042681696 /nfs/dbraw/zinc/68/16/96/1042681696.db2.gz BNRBRLBZZYLXPK-CRAIPNDOSA-N 2 1 342.487 3.638 20 0 EHADMP CC(C)c1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000663326592 1042696603 /nfs/dbraw/zinc/69/66/03/1042696603.db2.gz CGTGOHDCGHXTAP-JOCHJYFZSA-N 2 1 338.495 3.666 20 0 EHADMP Cc1csc([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000162336208 1042723696 /nfs/dbraw/zinc/72/36/96/1042723696.db2.gz GCCKTIKEOPTEME-HUUCEWRRSA-N 2 1 333.501 3.804 20 0 EHADMP Fc1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cccc1OC1CC1 ZINC000663344210 1042726289 /nfs/dbraw/zinc/72/62/89/1042726289.db2.gz PENHSPAUBMFVDL-MRXNPFEDSA-N 2 1 332.463 3.579 20 0 EHADMP Fc1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cccc1OC1CC1 ZINC000663344210 1042726296 /nfs/dbraw/zinc/72/62/96/1042726296.db2.gz PENHSPAUBMFVDL-MRXNPFEDSA-N 2 1 332.463 3.579 20 0 EHADMP Brc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663347022 1042732339 /nfs/dbraw/zinc/73/23/39/1042732339.db2.gz FSKSMOOISMZQDS-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663347022 1042732344 /nfs/dbraw/zinc/73/23/44/1042732344.db2.gz FSKSMOOISMZQDS-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP CCCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000663346986 1042732410 /nfs/dbraw/zinc/73/24/10/1042732410.db2.gz DSXFBTVFZKUQCF-IBGZPJMESA-N 2 1 346.515 3.696 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1SC ZINC000663347600 1042738247 /nfs/dbraw/zinc/73/82/47/1042738247.db2.gz PUVIMHNFXUNEBX-KRWDZBQOSA-N 2 1 334.529 3.629 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663465281 1042884631 /nfs/dbraw/zinc/88/46/31/1042884631.db2.gz JAIQNPBTCSSREH-LVOPCWDJSA-N 2 1 342.527 3.899 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467603 1042894916 /nfs/dbraw/zinc/89/49/16/1042894916.db2.gz GWYRRQBPQPMOOT-CBQOVEMMSA-N 2 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663467603 1042894921 /nfs/dbraw/zinc/89/49/21/1042894921.db2.gz GWYRRQBPQPMOOT-CBQOVEMMSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467603 1042894925 /nfs/dbraw/zinc/89/49/25/1042894925.db2.gz GWYRRQBPQPMOOT-CBQOVEMMSA-N 3 1 347.591 3.741 20 0 EHADMP COc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471101 1042897013 /nfs/dbraw/zinc/89/70/13/1042897013.db2.gz WLOKEZRHKVMYRC-PXNSSMCTSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471101 1042897018 /nfs/dbraw/zinc/89/70/18/1042897018.db2.gz WLOKEZRHKVMYRC-PXNSSMCTSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471101 1042897024 /nfs/dbraw/zinc/89/70/24/1042897024.db2.gz WLOKEZRHKVMYRC-PXNSSMCTSA-N 2 1 344.499 3.621 20 0 EHADMP COc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278907141 1042901589 /nfs/dbraw/zinc/90/15/89/1042901589.db2.gz QAAWSGMKADOZNO-UHFFFAOYSA-N 2 1 325.456 3.608 20 0 EHADMP Cc1ccc([C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CCC2)o1 ZINC000343950192 1042923545 /nfs/dbraw/zinc/92/35/45/1042923545.db2.gz ZCVIQZRBOOEJGJ-HXUWFJFHSA-N 2 1 343.471 3.554 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001167826027 1042957714 /nfs/dbraw/zinc/95/77/14/1042957714.db2.gz MBEPXZPBHRIADE-IRXDYDNUSA-N 2 1 326.525 3.551 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001167827496 1042970034 /nfs/dbraw/zinc/97/00/34/1042970034.db2.gz WZCHITXTHUIBJO-LJQANCHMSA-N 2 1 340.515 3.989 20 0 EHADMP C[C@H]1C[N@@H+](CCCNCc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432343760 1042978154 /nfs/dbraw/zinc/97/81/54/1042978154.db2.gz ADIVVCXSEQYYBU-ZDUSSCGKSA-N 2 1 331.287 3.584 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432343760 1042978160 /nfs/dbraw/zinc/97/81/60/1042978160.db2.gz ADIVVCXSEQYYBU-ZDUSSCGKSA-N 2 1 331.287 3.584 20 0 EHADMP Cc1cc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)oc2cc1C ZINC000432354032 1042991124 /nfs/dbraw/zinc/99/11/24/1042991124.db2.gz SDTCZXDCODOYSA-KRWDZBQOSA-N 2 1 330.472 3.640 20 0 EHADMP Cc1cc2cc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)oc2cc1C ZINC000432354032 1042991126 /nfs/dbraw/zinc/99/11/26/1042991126.db2.gz SDTCZXDCODOYSA-KRWDZBQOSA-N 2 1 330.472 3.640 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1OC(F)F ZINC000278937795 1043021047 /nfs/dbraw/zinc/02/10/47/1043021047.db2.gz JUOUUWFIFOWVPE-NWDGAFQWSA-N 2 1 339.361 3.537 20 0 EHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512059620 1043081490 /nfs/dbraw/zinc/08/14/90/1043081490.db2.gz SLQMVMCOTCLKJE-OAHLLOKOSA-N 2 1 337.920 3.969 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc2ccccc21 ZINC000432418717 1043141865 /nfs/dbraw/zinc/14/18/65/1043141865.db2.gz UWUBXIHOKKBMHU-QZTJIDSGSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc2ccccc21 ZINC000432418717 1043141869 /nfs/dbraw/zinc/14/18/69/1043141869.db2.gz UWUBXIHOKKBMHU-QZTJIDSGSA-N 2 1 326.484 3.991 20 0 EHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344097127 1043238740 /nfs/dbraw/zinc/23/87/40/1043238740.db2.gz IFZGPOMHOGNJOV-RTWAWAEBSA-N 2 1 330.516 3.600 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310513339 1043620738 /nfs/dbraw/zinc/62/07/38/1043620738.db2.gz KMERIUGAJZLVRI-UXHICEINSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@H](C)[N@H+]1C ZINC000580334308 1043669455 /nfs/dbraw/zinc/66/94/55/1043669455.db2.gz IUSHSFUPUAUZRH-TXEJJXNPSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@H](C)[N@@H+]1C ZINC000580334308 1043669461 /nfs/dbraw/zinc/66/94/61/1043669461.db2.gz IUSHSFUPUAUZRH-TXEJJXNPSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)[NH+]1CCCCC1 ZINC000344352748 1043714716 /nfs/dbraw/zinc/71/47/16/1043714716.db2.gz PIONIRHLROOMME-HNNXBMFYSA-N 2 1 330.501 3.559 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4ccccc43)CC2)oc1C ZINC000162737195 1043774355 /nfs/dbraw/zinc/77/43/55/1043774355.db2.gz BCQWGMZLSFLDNX-FQEVSTJZSA-N 2 1 339.483 3.781 20 0 EHADMP CC[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(Cl)s1 ZINC000925843424 1044577979 /nfs/dbraw/zinc/57/79/79/1044577979.db2.gz FSVJURBDYWCXLM-CQSZACIVSA-N 2 1 329.941 3.518 20 0 EHADMP CCSc1ccccc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154478200 1125721160 /nfs/dbraw/zinc/72/11/60/1125721160.db2.gz SLXQAJQWUKAQDU-GOSISDBHSA-N 2 1 349.588 3.867 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185308446 1126861788 /nfs/dbraw/zinc/86/17/88/1126861788.db2.gz GLELMWOKXOMPAK-HNNXBMFYSA-N 2 1 339.867 3.706 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185308446 1126861794 /nfs/dbraw/zinc/86/17/94/1126861794.db2.gz GLELMWOKXOMPAK-HNNXBMFYSA-N 2 1 339.867 3.706 20 0 EHADMP C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000671301328 1126889515 /nfs/dbraw/zinc/88/95/15/1126889515.db2.gz FSJPJNCABOGSQD-UWJYYQICSA-N 2 1 348.494 3.606 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1(C)C ZINC000623419179 1126950474 /nfs/dbraw/zinc/95/04/74/1126950474.db2.gz YGGBVHCMGZVYAG-QUCCMNQESA-N 2 1 330.516 3.933 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528600 1126976587 /nfs/dbraw/zinc/97/65/87/1126976587.db2.gz VLRFSHYLXTZGJB-IEBWSBKVSA-N 2 1 328.500 3.543 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656778 1127006583 /nfs/dbraw/zinc/00/65/83/1127006583.db2.gz BLUHDPLRWBUXAV-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000623656778 1127006588 /nfs/dbraw/zinc/00/65/88/1127006588.db2.gz BLUHDPLRWBUXAV-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000623799884 1127181113 /nfs/dbraw/zinc/18/11/13/1127181113.db2.gz QUNLZPQLAFUYIJ-UHFFFAOYSA-N 2 1 346.837 3.754 20 0 EHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000623890306 1127211362 /nfs/dbraw/zinc/21/13/62/1127211362.db2.gz IPGPQGVQPKJEHO-NWDGAFQWSA-N 2 1 349.828 3.616 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@H]2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623949891 1127218349 /nfs/dbraw/zinc/21/83/49/1127218349.db2.gz GVMZEPKOBDARDK-LMMKCTJWSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623949891 1127218352 /nfs/dbraw/zinc/21/83/52/1127218352.db2.gz GVMZEPKOBDARDK-LMMKCTJWSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N[C@@H]2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949894 1127218484 /nfs/dbraw/zinc/21/84/84/1127218484.db2.gz GVMZEPKOBDARDK-ZIFCJYIRSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2N[C@@H]2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949894 1127218487 /nfs/dbraw/zinc/21/84/87/1127218487.db2.gz GVMZEPKOBDARDK-ZIFCJYIRSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949894 1127218491 /nfs/dbraw/zinc/21/84/91/1127218491.db2.gz GVMZEPKOBDARDK-ZIFCJYIRSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949894 1127218493 /nfs/dbraw/zinc/21/84/93/1127218493.db2.gz GVMZEPKOBDARDK-ZIFCJYIRSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2cccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)c2)C[C@@H](C)O1 ZINC000623941518 1127219205 /nfs/dbraw/zinc/21/92/05/1127219205.db2.gz VCVCRQMACXOZJR-HLIPFELVSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCCO1 ZINC000623979032 1127226770 /nfs/dbraw/zinc/22/67/70/1127226770.db2.gz OCUWZRWCEMMDSE-DFQSSKMNSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCCO1 ZINC000623979032 1127226772 /nfs/dbraw/zinc/22/67/72/1127226772.db2.gz OCUWZRWCEMMDSE-DFQSSKMNSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1nccn1C ZINC000182465370 1127331131 /nfs/dbraw/zinc/33/11/31/1127331131.db2.gz SBUYRLNQXAMMDX-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1nccn1C ZINC000182465370 1127331134 /nfs/dbraw/zinc/33/11/34/1127331134.db2.gz SBUYRLNQXAMMDX-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP Clc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381763401 1127492363 /nfs/dbraw/zinc/49/23/63/1127492363.db2.gz UYQPTWZXCYZCJO-TXEJJXNPSA-N 2 1 343.696 3.534 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(C)ccc32)[C@H](C)C1 ZINC000765428685 1127612129 /nfs/dbraw/zinc/61/21/29/1127612129.db2.gz UJVLCKWTASMVAR-QMMLZNLJSA-N 2 1 330.516 3.709 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000386337573 1127664189 /nfs/dbraw/zinc/66/41/89/1127664189.db2.gz NFUCJVPDVCNIOL-GIVPXCGWSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386337573 1127664192 /nfs/dbraw/zinc/66/41/92/1127664192.db2.gz NFUCJVPDVCNIOL-GIVPXCGWSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386337573 1127664193 /nfs/dbraw/zinc/66/41/93/1127664193.db2.gz NFUCJVPDVCNIOL-GIVPXCGWSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386337573 1127664196 /nfs/dbraw/zinc/66/41/96/1127664196.db2.gz NFUCJVPDVCNIOL-GIVPXCGWSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386337573 1127664198 /nfs/dbraw/zinc/66/41/98/1127664198.db2.gz NFUCJVPDVCNIOL-GIVPXCGWSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cc[nH]c(=O)c1)C1CCCCC1 ZINC000921572244 1127754762 /nfs/dbraw/zinc/75/47/62/1127754762.db2.gz JAFHTQOHZVGVLL-UHFFFAOYSA-N 2 1 339.483 3.842 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)C2)c1 ZINC000921630610 1127901116 /nfs/dbraw/zinc/90/11/16/1127901116.db2.gz SUEIQQARDHVICU-NCXUSEDFSA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)C2)c1 ZINC000921630610 1127901119 /nfs/dbraw/zinc/90/11/19/1127901119.db2.gz SUEIQQARDHVICU-NCXUSEDFSA-N 2 1 348.556 3.755 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427220 1128134133 /nfs/dbraw/zinc/13/41/33/1128134133.db2.gz GPXGSUOXCFGRBW-SFHVURJKSA-N 2 1 340.515 3.816 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427220 1128134135 /nfs/dbraw/zinc/13/41/35/1128134135.db2.gz GPXGSUOXCFGRBW-SFHVURJKSA-N 2 1 340.515 3.816 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507257 1128242742 /nfs/dbraw/zinc/24/27/42/1128242742.db2.gz GPXGSUOXCFGRBW-GOSISDBHSA-N 2 1 340.515 3.816 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507257 1128242745 /nfs/dbraw/zinc/24/27/45/1128242745.db2.gz GPXGSUOXCFGRBW-GOSISDBHSA-N 2 1 340.515 3.816 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000623657810 1128452651 /nfs/dbraw/zinc/45/26/51/1128452651.db2.gz ZNCSPPPMGWWNNA-KRWDZBQOSA-N 2 1 349.950 3.626 20 0 EHADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622257 1128474974 /nfs/dbraw/zinc/47/49/74/1128474974.db2.gz IPAOJTUVFQBXNE-ROUUACIJSA-N 2 1 326.912 3.718 20 0 EHADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622257 1128474976 /nfs/dbraw/zinc/47/49/76/1128474976.db2.gz IPAOJTUVFQBXNE-ROUUACIJSA-N 2 1 326.912 3.718 20 0 EHADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622255 1128475053 /nfs/dbraw/zinc/47/50/53/1128475053.db2.gz IPAOJTUVFQBXNE-MSOLQXFVSA-N 2 1 326.912 3.718 20 0 EHADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622255 1128475055 /nfs/dbraw/zinc/47/50/55/1128475055.db2.gz IPAOJTUVFQBXNE-MSOLQXFVSA-N 2 1 326.912 3.718 20 0 EHADMP Brc1cscc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000347648716 1128512742 /nfs/dbraw/zinc/51/27/42/1128512742.db2.gz MCVVJPCAMPZKLW-UHFFFAOYSA-N 2 1 343.334 3.818 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000156041959 1128622318 /nfs/dbraw/zinc/62/23/18/1128622318.db2.gz KQFUDZSXCVEVEE-UHFFFAOYSA-N 2 1 335.451 3.905 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000156195371 1128682632 /nfs/dbraw/zinc/68/26/32/1128682632.db2.gz QDEXNCKVWRERSA-OALUTQOASA-N 3 1 343.559 3.881 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(C)c1Br ZINC000921775428 1128750834 /nfs/dbraw/zinc/75/08/34/1128750834.db2.gz TYECCZXSWJEKPE-UHFFFAOYSA-N 2 1 336.277 3.832 20 0 EHADMP c1nn(CC2CCC2)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000921810552 1128781315 /nfs/dbraw/zinc/78/13/15/1128781315.db2.gz SQUKKRDJJKWBAC-UHFFFAOYSA-N 2 1 330.520 3.570 20 0 EHADMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C2CCCC2)n1 ZINC000921816288 1128785128 /nfs/dbraw/zinc/78/51/28/1128785128.db2.gz NOYRKFLLRMJELO-UHFFFAOYSA-N 2 1 330.520 3.574 20 0 EHADMP Cc1ccc(C)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000110427329 1128785824 /nfs/dbraw/zinc/78/58/24/1128785824.db2.gz YEZVJSXWXITRIC-KDURUIRLSA-N 2 1 330.516 3.625 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2cccc3c2OCC3)c(C)c1 ZINC000921920278 1128917583 /nfs/dbraw/zinc/91/75/83/1128917583.db2.gz KFBHSTYJJJWPSW-OAQYLSRUSA-N 2 1 347.462 3.966 20 0 EHADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186835633 1120476780 /nfs/dbraw/zinc/47/67/80/1120476780.db2.gz IOHCPEYUWCHODT-LEWJYISDSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116223 1120664493 /nfs/dbraw/zinc/66/44/93/1120664493.db2.gz MHAPPKNREAZMQB-MAZHCROVSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116223 1120664495 /nfs/dbraw/zinc/66/44/95/1120664495.db2.gz MHAPPKNREAZMQB-MAZHCROVSA-N 2 1 325.294 3.973 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736371 1120753107 /nfs/dbraw/zinc/75/31/07/1120753107.db2.gz CMIFCOXGOIQYED-YTQUADARSA-N 2 1 328.500 3.623 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262337206 1120921080 /nfs/dbraw/zinc/92/10/80/1120921080.db2.gz ZMWYPZMFLPAUCA-NJAFHUGGSA-N 2 1 329.488 3.517 20 0 EHADMP COc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc(F)cc2)cc1 ZINC000494968955 1120921456 /nfs/dbraw/zinc/92/14/56/1120921456.db2.gz LYNXXSSSRHRYMY-OAQYLSRUSA-N 2 1 340.442 3.775 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCS2 ZINC000250051272 1120952754 /nfs/dbraw/zinc/95/27/54/1120952754.db2.gz LWYDUEQLYJOHQK-HKUYNNGSSA-N 2 1 348.556 3.667 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168487165 1121144042 /nfs/dbraw/zinc/14/40/42/1121144042.db2.gz OBNBPNMRKOZTCM-LPHOPBHVSA-N 2 1 348.506 3.768 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2-c2ccccc2)CCCO1 ZINC000762481530 1121322567 /nfs/dbraw/zinc/32/25/67/1121322567.db2.gz FWKXLVDUNFKYHV-LJQANCHMSA-N 2 1 338.495 3.944 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000237088449 1121473149 /nfs/dbraw/zinc/47/31/49/1121473149.db2.gz TUIOERUERXVXTA-UHFFFAOYSA-N 2 1 327.472 3.685 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000237088449 1121473150 /nfs/dbraw/zinc/47/31/50/1121473150.db2.gz TUIOERUERXVXTA-UHFFFAOYSA-N 2 1 327.472 3.685 20 0 EHADMP FC(F)C(F)(F)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762927384 1121528091 /nfs/dbraw/zinc/52/80/91/1121528091.db2.gz RJQVDTGTPLYNEI-UHFFFAOYSA-N 2 1 344.396 3.875 20 0 EHADMP FC(F)C(F)(F)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762927384 1121528099 /nfs/dbraw/zinc/52/80/99/1121528099.db2.gz RJQVDTGTPLYNEI-UHFFFAOYSA-N 2 1 344.396 3.875 20 0 EHADMP FC(F)C(F)(F)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762927384 1121528108 /nfs/dbraw/zinc/52/81/08/1121528108.db2.gz RJQVDTGTPLYNEI-UHFFFAOYSA-N 2 1 344.396 3.875 20 0 EHADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398022637 1121960892 /nfs/dbraw/zinc/96/08/92/1121960892.db2.gz AUWCZZPQLCMDEH-AVRDEDQJSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000398035721 1121964054 /nfs/dbraw/zinc/96/40/54/1121964054.db2.gz PQPAEBYZJQIBII-UGKGYDQZSA-N 2 1 338.495 3.703 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000398035721 1121964058 /nfs/dbraw/zinc/96/40/58/1121964058.db2.gz PQPAEBYZJQIBII-UGKGYDQZSA-N 2 1 338.495 3.703 20 0 EHADMP C[C@@H](CCSc1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126366924 1122403122 /nfs/dbraw/zinc/40/31/22/1122403122.db2.gz FAUZZUHTJZLRBI-SFHVURJKSA-N 2 1 349.588 3.515 20 0 EHADMP C[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1 ZINC000127910419 1122515000 /nfs/dbraw/zinc/51/50/00/1122515000.db2.gz FUFTZICEVONQAT-QGZVFWFLSA-N 2 1 334.479 3.554 20 0 EHADMP Cc1cc2cc([C@@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)oc2cc1C ZINC000128276678 1122548905 /nfs/dbraw/zinc/54/89/05/1122548905.db2.gz PMFWFTSSDNMUQZ-GOSISDBHSA-N 2 1 343.515 3.728 20 0 EHADMP CCCOc1cccc2c(N3CC[C@H](C[N@@H+](C)CC)C3)ccnc12 ZINC000497522232 1122577074 /nfs/dbraw/zinc/57/70/74/1122577074.db2.gz UJQCNSSQPFIMNH-MRXNPFEDSA-N 2 1 327.472 3.802 20 0 EHADMP C[C@H](C[C@H]1CCCO1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000556063909 1122799649 /nfs/dbraw/zinc/79/96/49/1122799649.db2.gz NCTAKSFUSKKUMY-QNDFHXLGSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556061910 1122799851 /nfs/dbraw/zinc/79/98/51/1122799851.db2.gz FBGKKSQFIDEPND-JMUQELJHSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556061910 1122799855 /nfs/dbraw/zinc/79/98/55/1122799855.db2.gz FBGKKSQFIDEPND-JMUQELJHSA-N 2 1 349.522 3.863 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000556873107 1123163253 /nfs/dbraw/zinc/16/32/53/1123163253.db2.gz SZGHHFQLAVYQGP-UJKMTWAASA-N 2 1 344.543 3.960 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000556887329 1123168245 /nfs/dbraw/zinc/16/82/45/1123168245.db2.gz URUZAMIVUUHKHL-HKBOAZHASA-N 2 1 327.516 3.957 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@H]2CCC[C@H]21 ZINC000556892372 1123177063 /nfs/dbraw/zinc/17/70/63/1123177063.db2.gz KOFMCYRBOMAYJO-SVFBPWRDSA-N 2 1 327.516 3.639 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132625241 1123261729 /nfs/dbraw/zinc/26/17/29/1123261729.db2.gz MUCBKCKYLHRLCD-XJKSGUPXSA-N 2 1 341.421 3.799 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132625241 1123261733 /nfs/dbraw/zinc/26/17/33/1123261733.db2.gz MUCBKCKYLHRLCD-XJKSGUPXSA-N 2 1 341.421 3.799 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000077249286 1123541961 /nfs/dbraw/zinc/54/19/61/1123541961.db2.gz PNQJRAGJKCMXIW-UHFFFAOYSA-N 2 1 330.394 3.544 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000077249286 1123541969 /nfs/dbraw/zinc/54/19/69/1123541969.db2.gz PNQJRAGJKCMXIW-UHFFFAOYSA-N 2 1 330.394 3.544 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000137138170 1123751429 /nfs/dbraw/zinc/75/14/29/1123751429.db2.gz LABKRISFMMXVNK-PWSUYJOCSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000137138170 1123751435 /nfs/dbraw/zinc/75/14/35/1123751435.db2.gz LABKRISFMMXVNK-PWSUYJOCSA-N 2 1 331.685 3.675 20 0 EHADMP C[N@H+](Cc1ccc(Cl)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000137199675 1123754093 /nfs/dbraw/zinc/75/40/93/1123754093.db2.gz AAHNTKNUCSIPHC-FUNVUKJBSA-N 2 1 343.696 3.817 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000137199675 1123754097 /nfs/dbraw/zinc/75/40/97/1123754097.db2.gz AAHNTKNUCSIPHC-FUNVUKJBSA-N 2 1 343.696 3.817 20 0 EHADMP CC1CC[NH+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245653616 1123910784 /nfs/dbraw/zinc/91/07/84/1123910784.db2.gz DCWLUCJJNFFPID-KOUNCHBCSA-N 2 1 341.543 3.504 20 0 EHADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245747836 1123943077 /nfs/dbraw/zinc/94/30/77/1123943077.db2.gz SWNSTQRWZQDLLG-AYWYSENESA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@@H](C)[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245747836 1123943079 /nfs/dbraw/zinc/94/30/79/1123943079.db2.gz SWNSTQRWZQDLLG-AYWYSENESA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@@H](C)[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245747836 1123943080 /nfs/dbraw/zinc/94/30/80/1123943080.db2.gz SWNSTQRWZQDLLG-AYWYSENESA-N 2 1 329.532 3.502 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245775928 1123949454 /nfs/dbraw/zinc/94/94/54/1123949454.db2.gz YAZKPAPVRGQGPF-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775928 1123949459 /nfs/dbraw/zinc/94/94/59/1123949459.db2.gz YAZKPAPVRGQGPF-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245775928 1123949462 /nfs/dbraw/zinc/94/94/62/1123949462.db2.gz YAZKPAPVRGQGPF-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000246023220 1124001513 /nfs/dbraw/zinc/00/15/13/1124001513.db2.gz LQIHVGUVYJXZNI-OALUTQOASA-N 2 1 336.907 3.618 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246283585 1124076273 /nfs/dbraw/zinc/07/62/73/1124076273.db2.gz BSCCKRNRYWJAAQ-MBNYWOFBSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246283585 1124076276 /nfs/dbraw/zinc/07/62/76/1124076276.db2.gz BSCCKRNRYWJAAQ-MBNYWOFBSA-N 2 1 343.284 3.592 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)cc1)C(C)C ZINC000617350890 1124493852 /nfs/dbraw/zinc/49/38/52/1124493852.db2.gz FGCYOYXDQZEDLG-LJQANCHMSA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1)C(C)C ZINC000617350890 1124493856 /nfs/dbraw/zinc/49/38/56/1124493856.db2.gz FGCYOYXDQZEDLG-LJQANCHMSA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1)C(C)C ZINC000617350890 1124493861 /nfs/dbraw/zinc/49/38/61/1124493861.db2.gz FGCYOYXDQZEDLG-LJQANCHMSA-N 2 1 345.531 3.520 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)C(C)(C)C)CC2)oc1C ZINC000825302647 1131266533 /nfs/dbraw/zinc/26/65/33/1131266533.db2.gz VMAPMZFYGWEOKH-IBGZPJMESA-N 2 1 333.520 3.918 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(Oc3ccccc3)nc2)[C@@H](C)C1 ZINC000246845229 1124557654 /nfs/dbraw/zinc/55/76/54/1124557654.db2.gz BDBBQUOYTUTNLH-LPHOPBHVSA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@@H](C)C1 ZINC000246845229 1124557665 /nfs/dbraw/zinc/55/76/65/1124557665.db2.gz BDBBQUOYTUTNLH-LPHOPBHVSA-N 2 1 325.456 3.694 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000247036514 1124580393 /nfs/dbraw/zinc/58/03/93/1124580393.db2.gz MMVKEKZEJPZPAQ-JENIJYKNSA-N 2 1 330.516 3.825 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(Cl)c1 ZINC000248714294 1124691720 /nfs/dbraw/zinc/69/17/20/1124691720.db2.gz RANKECINJFSQDZ-VBNZEHGJSA-N 2 1 342.936 3.820 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000248739453 1124695485 /nfs/dbraw/zinc/69/54/85/1124695485.db2.gz CYOKFQZRFXJGAT-QUCCMNQESA-N 2 1 338.536 3.506 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)c2)[C@@H](C)C1 ZINC000248962888 1124723438 /nfs/dbraw/zinc/72/34/38/1124723438.db2.gz GTEKMIWNQMJMTG-PZJWPPBQSA-N 2 1 332.532 3.654 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2s1 ZINC000249169611 1124743240 /nfs/dbraw/zinc/74/32/40/1124743240.db2.gz AOSCNODLUOIXRE-WBVHZDCISA-N 2 1 332.513 3.789 20 0 EHADMP Cc1cccc(CC[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000089594769 1124824280 /nfs/dbraw/zinc/82/42/80/1124824280.db2.gz SCWDPFKHDHOXID-HXUWFJFHSA-N 2 1 344.543 3.941 20 0 EHADMP Fc1cnccc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000449108576 1124946832 /nfs/dbraw/zinc/94/68/32/1124946832.db2.gz UROUJFSZTCHBMH-UHFFFAOYSA-N 2 1 327.447 3.887 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000152894902 1125393344 /nfs/dbraw/zinc/39/33/44/1125393344.db2.gz JAYZKPCJVOMKBH-UYAOXDASSA-N 2 1 329.532 3.551 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000262254627 1125416570 /nfs/dbraw/zinc/41/65/70/1125416570.db2.gz QKMZHXVADXIUEO-FDFHNCONSA-N 2 1 343.559 3.929 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000115611865 1129279080 /nfs/dbraw/zinc/27/90/80/1129279080.db2.gz ODZMXQZHBBZZBQ-HNNXBMFYSA-N 2 1 328.431 3.968 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000115611865 1129279082 /nfs/dbraw/zinc/27/90/82/1129279082.db2.gz ODZMXQZHBBZZBQ-HNNXBMFYSA-N 2 1 328.431 3.968 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000543228910 1129356650 /nfs/dbraw/zinc/35/66/50/1129356650.db2.gz GCYIAQUFUQOYQL-RTBURBONSA-N 2 1 332.532 3.939 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cnc2ccsc2c1 ZINC000765978097 1129387813 /nfs/dbraw/zinc/38/78/13/1129387813.db2.gz SIQOKXOPMZECEF-YOEHRIQHSA-N 2 1 345.512 3.590 20 0 EHADMP C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000466361786 1129403217 /nfs/dbraw/zinc/40/32/17/1129403217.db2.gz YDBZFRJDGKABSA-QEUVDIPISA-N 2 1 334.548 3.968 20 0 EHADMP C[C@H](c1ccncc1)[N@@H+](C)CCCC[NH+](C)[C@@H](C)c1ccncc1 ZINC000118401410 1129507608 /nfs/dbraw/zinc/50/76/08/1129507608.db2.gz SRBLSJQNXLELGR-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H](c1ccncc1)[NH+](C)CCCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000118401410 1129507610 /nfs/dbraw/zinc/50/76/10/1129507610.db2.gz SRBLSJQNXLELGR-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H](c1ccncc1)[NH+](C)CCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000118401410 1129507613 /nfs/dbraw/zinc/50/76/13/1129507613.db2.gz SRBLSJQNXLELGR-HDICACEKSA-N 2 1 326.488 3.943 20 0 EHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C(C)=C/c3ccccc3)C2)[C@H]1C(C)C ZINC000922392768 1129517940 /nfs/dbraw/zinc/51/79/40/1129517940.db2.gz NWUDGOHDUHZMHT-ISEAZTGWSA-N 2 1 342.527 3.549 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000481399156 1129524826 /nfs/dbraw/zinc/52/48/26/1129524826.db2.gz FOJUFEHGYOMALB-QFIPXVFZSA-N 2 1 344.543 3.878 20 0 EHADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2nc3ccc(F)cc3s2)cc1 ZINC000428863956 1129550111 /nfs/dbraw/zinc/55/01/11/1129550111.db2.gz ZXNWXCVVSWLFTC-UHFFFAOYSA-N 2 1 329.444 3.787 20 0 EHADMP C[NH+](C)CC[C@H](N[C@@H]1CCOC2(CCCCC2)C1)c1cccnc1 ZINC000922628860 1129604244 /nfs/dbraw/zinc/60/42/44/1129604244.db2.gz GWIYUBXURQMCIB-MOPGFXCFSA-N 2 1 331.504 3.546 20 0 EHADMP Cc1nc(C(C)C)oc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000428961158 1129641804 /nfs/dbraw/zinc/64/18/04/1129641804.db2.gz GJZPECCKWICBKR-KDURUIRLSA-N 2 1 339.483 3.670 20 0 EHADMP Cc1nc2c(cccc2CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000922770590 1129658760 /nfs/dbraw/zinc/65/87/60/1129658760.db2.gz OGSNPGICWLGYPA-UHFFFAOYSA-N 2 1 349.478 3.933 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000658041960 1130082591 /nfs/dbraw/zinc/08/25/91/1130082591.db2.gz MWIWOZFXISKKGG-LZQZEXGQSA-N 2 1 335.451 3.824 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000429244431 1130285062 /nfs/dbraw/zinc/28/50/62/1130285062.db2.gz GIKWRYIKRUVSDP-UHFFFAOYSA-N 2 1 330.407 3.638 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000429244431 1130285065 /nfs/dbraw/zinc/28/50/65/1130285065.db2.gz GIKWRYIKRUVSDP-UHFFFAOYSA-N 2 1 330.407 3.638 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246100957 1130343558 /nfs/dbraw/zinc/34/35/58/1130343558.db2.gz BTUDGAVORZOMIG-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246100957 1130343566 /nfs/dbraw/zinc/34/35/66/1130343566.db2.gz BTUDGAVORZOMIG-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246100957 1130343573 /nfs/dbraw/zinc/34/35/73/1130343573.db2.gz BTUDGAVORZOMIG-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246100957 1130343580 /nfs/dbraw/zinc/34/35/80/1130343580.db2.gz BTUDGAVORZOMIG-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123749 1130357459 /nfs/dbraw/zinc/35/74/59/1130357459.db2.gz RPERDKTWALRHGQ-GDBMZVCRSA-N 2 1 326.456 3.917 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123749 1130357466 /nfs/dbraw/zinc/35/74/66/1130357466.db2.gz RPERDKTWALRHGQ-GDBMZVCRSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123749 1130357474 /nfs/dbraw/zinc/35/74/74/1130357474.db2.gz RPERDKTWALRHGQ-GDBMZVCRSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123749 1130357478 /nfs/dbraw/zinc/35/74/78/1130357478.db2.gz RPERDKTWALRHGQ-GDBMZVCRSA-N 2 1 326.456 3.917 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000675752039 1130465087 /nfs/dbraw/zinc/46/50/87/1130465087.db2.gz IQYRXUXTEZZRBY-XHSDSOJGSA-N 2 1 349.906 3.582 20 0 EHADMP CC1(C)CCc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2O1 ZINC000731679136 1130832214 /nfs/dbraw/zinc/83/22/14/1130832214.db2.gz XSZVICNSURRYMT-UHFFFAOYSA-N 2 1 328.500 3.897 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000348069050 1131138368 /nfs/dbraw/zinc/13/83/68/1131138368.db2.gz HAXIIVNWFBGPAI-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc(Br)c1 ZINC000348069050 1131138371 /nfs/dbraw/zinc/13/83/71/1131138371.db2.gz HAXIIVNWFBGPAI-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000738070762 1131459533 /nfs/dbraw/zinc/45/95/33/1131459533.db2.gz KVSRSTWKXJKVSG-UHFFFAOYSA-N 2 1 332.517 3.623 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883328 1131552480 /nfs/dbraw/zinc/55/24/80/1131552480.db2.gz NLWKZWQYTAUFQQ-WMZOPIPTSA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883328 1131552484 /nfs/dbraw/zinc/55/24/84/1131552484.db2.gz NLWKZWQYTAUFQQ-WMZOPIPTSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883328 1131552489 /nfs/dbraw/zinc/55/24/89/1131552489.db2.gz NLWKZWQYTAUFQQ-WMZOPIPTSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883328 1131552492 /nfs/dbraw/zinc/55/24/92/1131552492.db2.gz NLWKZWQYTAUFQQ-WMZOPIPTSA-N 2 1 342.483 3.714 20 0 EHADMP Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000741788023 1131648838 /nfs/dbraw/zinc/64/88/38/1131648838.db2.gz OAINYIFCVOPKCR-CTNGQTDRSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccccc1[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000741788023 1131648841 /nfs/dbraw/zinc/64/88/41/1131648841.db2.gz OAINYIFCVOPKCR-CTNGQTDRSA-N 2 1 330.516 3.616 20 0 EHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172485206 1131739610 /nfs/dbraw/zinc/73/96/10/1131739610.db2.gz UPIFNPNIUQUVFM-KSEOMHKRSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172485206 1131739618 /nfs/dbraw/zinc/73/96/18/1131739618.db2.gz UPIFNPNIUQUVFM-KSEOMHKRSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172485206 1131739621 /nfs/dbraw/zinc/73/96/21/1131739621.db2.gz UPIFNPNIUQUVFM-KSEOMHKRSA-N 2 1 344.543 3.892 20 0 EHADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172536761 1131780427 /nfs/dbraw/zinc/78/04/27/1131780427.db2.gz KYZJTYCSJGEBCH-BHIFYINESA-N 2 1 342.527 3.803 20 0 EHADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172536761 1131780432 /nfs/dbraw/zinc/78/04/32/1131780432.db2.gz KYZJTYCSJGEBCH-BHIFYINESA-N 2 1 342.527 3.803 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172536763 1131780567 /nfs/dbraw/zinc/78/05/67/1131780567.db2.gz KYZJTYCSJGEBCH-YPAWHYETSA-N 2 1 342.527 3.803 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172536763 1131780570 /nfs/dbraw/zinc/78/05/70/1131780570.db2.gz KYZJTYCSJGEBCH-YPAWHYETSA-N 2 1 342.527 3.803 20 0 EHADMP CC[C@H]1CC[C@H](C2CCC([NH2+]C3CC[NH+](CCO)CC3)CC2)CC1 ZINC001172589535 1131794483 /nfs/dbraw/zinc/79/44/83/1131794483.db2.gz ZJKJWVDPEVKJJK-RTWGARKQSA-N 2 1 336.564 3.808 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)C2CC(C)(C)OC(C)(C)C2)[nH+]1 ZINC001172659877 1131803714 /nfs/dbraw/zinc/80/37/14/1131803714.db2.gz AWTCWWBUYNLAOC-UHFFFAOYSA-N 2 1 331.504 3.685 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(c3cccc(F)c3)CC1)CC2 ZINC001172827919 1131854454 /nfs/dbraw/zinc/85/44/54/1131854454.db2.gz GFQHMXMJOCJYBS-NRFANRHFSA-N 2 1 338.470 3.941 20 0 EHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172862187 1131878541 /nfs/dbraw/zinc/87/85/41/1131878541.db2.gz OXMIBVXFKURKMG-OAHLLOKOSA-N 2 1 347.865 3.936 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185486 1131937029 /nfs/dbraw/zinc/93/70/29/1131937029.db2.gz NYYYWCJCCISNBK-VQTJNVASSA-N 2 1 342.458 3.835 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185486 1131937038 /nfs/dbraw/zinc/93/70/38/1131937038.db2.gz NYYYWCJCCISNBK-VQTJNVASSA-N 2 1 342.458 3.835 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173111510 1131970270 /nfs/dbraw/zinc/97/02/70/1131970270.db2.gz GHCFBZKERUDABZ-AFMYVXGZSA-N 2 1 334.479 3.932 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC(N3CCC(F)CC3)CC2)CC1 ZINC001173114721 1131971953 /nfs/dbraw/zinc/97/19/53/1131971953.db2.gz RJHCPNMYSCVAEV-UHFFFAOYSA-N 2 1 339.543 3.538 20 0 EHADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C[C@@H]1C ZINC001173117475 1131972968 /nfs/dbraw/zinc/97/29/68/1131972968.db2.gz MZXCZTHLDDHACR-YXWAVELNSA-N 2 1 338.536 3.551 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843776 1131989617 /nfs/dbraw/zinc/98/96/17/1131989617.db2.gz URZFNJDEIYPALK-UNMCSNQZSA-N 2 1 344.543 3.781 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843776 1131989621 /nfs/dbraw/zinc/98/96/21/1131989621.db2.gz URZFNJDEIYPALK-UNMCSNQZSA-N 2 1 344.543 3.781 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174135 1131991333 /nfs/dbraw/zinc/99/13/33/1131991333.db2.gz IGWJJYCTLSCMRL-CEWLAPEOSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174135 1131991342 /nfs/dbraw/zinc/99/13/42/1131991342.db2.gz IGWJJYCTLSCMRL-CEWLAPEOSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174135 1131991352 /nfs/dbraw/zinc/99/13/52/1131991352.db2.gz IGWJJYCTLSCMRL-CEWLAPEOSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001173173039 1131991729 /nfs/dbraw/zinc/99/17/29/1131991729.db2.gz LYZKXRYBOYUHKO-OIGVQNGMSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001173173039 1131991735 /nfs/dbraw/zinc/99/17/35/1131991735.db2.gz LYZKXRYBOYUHKO-OIGVQNGMSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001173173039 1131991745 /nfs/dbraw/zinc/99/17/45/1131991745.db2.gz LYZKXRYBOYUHKO-OIGVQNGMSA-N 2 1 348.556 3.848 20 0 EHADMP CCSC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306150 1132036765 /nfs/dbraw/zinc/03/67/65/1132036765.db2.gz MDLLPCIQVQUOQL-XEYPJELSSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306150 1132036770 /nfs/dbraw/zinc/03/67/70/1132036770.db2.gz MDLLPCIQVQUOQL-XEYPJELSSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306150 1132036778 /nfs/dbraw/zinc/03/67/78/1132036778.db2.gz MDLLPCIQVQUOQL-XEYPJELSSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306150 1132036785 /nfs/dbraw/zinc/03/67/85/1132036785.db2.gz MDLLPCIQVQUOQL-XEYPJELSSA-N 2 1 347.572 3.756 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001173456097 1132082732 /nfs/dbraw/zinc/08/27/32/1132082732.db2.gz ZGLKQKGFEMFQIC-SFHVURJKSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632407 1132110414 /nfs/dbraw/zinc/11/04/14/1132110414.db2.gz LZTYPPOKLINFRB-CAMMJAKZSA-N 2 1 336.520 3.623 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379635000 1132435903 /nfs/dbraw/zinc/43/59/03/1132435903.db2.gz VWCMMYLDNCGIFU-DOTOQJQBSA-N 2 1 344.421 3.598 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379635000 1132435907 /nfs/dbraw/zinc/43/59/07/1132435907.db2.gz VWCMMYLDNCGIFU-DOTOQJQBSA-N 2 1 344.421 3.598 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccccc2nc1C ZINC000191513339 1132463570 /nfs/dbraw/zinc/46/35/70/1132463570.db2.gz OULXAGPSFMLJBA-UHFFFAOYSA-N 2 1 337.471 3.609 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2nc1C ZINC000191513339 1132463577 /nfs/dbraw/zinc/46/35/77/1132463577.db2.gz OULXAGPSFMLJBA-UHFFFAOYSA-N 2 1 337.471 3.609 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001169093081 1132651670 /nfs/dbraw/zinc/65/16/70/1132651670.db2.gz FLQATVANHAGZLY-FIQHERPVSA-N 2 1 329.307 3.786 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C2 ZINC001169096915 1132652874 /nfs/dbraw/zinc/65/28/74/1132652874.db2.gz ZSSDQVIDGJWBSF-LILSUDLASA-N 2 1 336.479 3.676 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)C2 ZINC001169096915 1132652878 /nfs/dbraw/zinc/65/28/78/1132652878.db2.gz ZSSDQVIDGJWBSF-LILSUDLASA-N 2 1 336.479 3.676 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)C2 ZINC001169096458 1132653720 /nfs/dbraw/zinc/65/37/20/1132653720.db2.gz WZHAOTDLFYBFHZ-BCDXTJNWSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Cl)CCOCC1)C2 ZINC001169116152 1132661535 /nfs/dbraw/zinc/66/15/35/1132661535.db2.gz OLZMTBFRBROMBT-PHZGNYQRSA-N 2 1 334.891 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Cl)CCOCC1)C2 ZINC001169116152 1132661541 /nfs/dbraw/zinc/66/15/41/1132661541.db2.gz OLZMTBFRBROMBT-PHZGNYQRSA-N 2 1 334.891 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122616 1132663721 /nfs/dbraw/zinc/66/37/21/1132663721.db2.gz BTZWNWBWGDQJRM-HGTKMLMNSA-N 2 1 339.405 3.766 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3noc4ccc(F)cc43)CC1)C2 ZINC001169147105 1132676771 /nfs/dbraw/zinc/67/67/71/1132676771.db2.gz SROJFMOCAFZXQG-FVQHAEBGSA-N 2 1 343.446 3.772 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](c2ccncc2C(F)(F)F)C2CC2)CC1 ZINC001169241350 1132708087 /nfs/dbraw/zinc/70/80/87/1132708087.db2.gz VYNHGLBFMBGFBM-INIZCTEOSA-N 2 1 327.394 3.625 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CCC[C@H]1C[NH3+] ZINC001206013110 1132788901 /nfs/dbraw/zinc/78/89/01/1132788901.db2.gz PMIKOFNAORZYJO-RYUDHWBXSA-N 2 1 334.357 3.531 20 0 EHADMP CC(C)C1=[NH+]CCc2ccc(-n3cc(CC[NH3+])c4ncccc43)cc21 ZINC001169709796 1132829681 /nfs/dbraw/zinc/82/96/81/1132829681.db2.gz UKGBQHPNTIDSIS-UHFFFAOYSA-N 2 1 332.451 3.528 20 0 EHADMP Cc1c(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC001206023693 1132879841 /nfs/dbraw/zinc/87/98/41/1132879841.db2.gz GGKYPOPKWWETPF-WFASDCNBSA-N 2 1 339.321 3.873 20 0 EHADMP CC[NH+](CC)c1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001176557760 1132966524 /nfs/dbraw/zinc/96/65/24/1132966524.db2.gz FDQRJMCUAIEPSE-UHFFFAOYSA-N 2 1 327.476 3.569 20 0 EHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001177267761 1133050339 /nfs/dbraw/zinc/05/03/39/1133050339.db2.gz NRRMODNJOYRFKI-SIKLNZKXSA-N 2 1 341.543 3.516 20 0 EHADMP CC[C@H]1CCCC[N@@H+]1CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001177794859 1133103892 /nfs/dbraw/zinc/10/38/92/1133103892.db2.gz JRPDPHQKVRNACD-KRWDZBQOSA-N 2 1 328.504 3.812 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001177794859 1133103893 /nfs/dbraw/zinc/10/38/93/1133103893.db2.gz JRPDPHQKVRNACD-KRWDZBQOSA-N 2 1 328.504 3.812 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC001206312084 1133126771 /nfs/dbraw/zinc/12/67/71/1133126771.db2.gz ZSBSMYNZXXVHAV-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC001206312084 1133126772 /nfs/dbraw/zinc/12/67/72/1133126772.db2.gz ZSBSMYNZXXVHAV-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@@H](CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCCCC1 ZINC001178463605 1133170978 /nfs/dbraw/zinc/17/09/78/1133170978.db2.gz RWBQDPYMZOSPQH-PZJWPPBQSA-N 2 1 343.559 3.894 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506783 1133304609 /nfs/dbraw/zinc/30/46/09/1133304609.db2.gz GTNJNRPZTQMJTQ-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506783 1133304613 /nfs/dbraw/zinc/30/46/13/1133304613.db2.gz GTNJNRPZTQMJTQ-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506783 1133304616 /nfs/dbraw/zinc/30/46/16/1133304616.db2.gz GTNJNRPZTQMJTQ-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506783 1133304622 /nfs/dbraw/zinc/30/46/22/1133304622.db2.gz GTNJNRPZTQMJTQ-IBGZPJMESA-N 2 1 329.532 3.841 20 0 EHADMP CCC(CC)(CC)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001180310450 1133355491 /nfs/dbraw/zinc/35/54/91/1133355491.db2.gz HTDFUMUWKQJEFN-FQEVSTJZSA-N 2 1 332.532 3.949 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000770349986 1133419298 /nfs/dbraw/zinc/41/92/98/1133419298.db2.gz CSSLAPCAQGUKIW-QUCCMNQESA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000770349986 1133419300 /nfs/dbraw/zinc/41/93/00/1133419300.db2.gz CSSLAPCAQGUKIW-QUCCMNQESA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000770349986 1133419304 /nfs/dbraw/zinc/41/93/04/1133419304.db2.gz CSSLAPCAQGUKIW-QUCCMNQESA-N 2 1 327.516 3.593 20 0 EHADMP CC(C)O[C@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001181515020 1133496760 /nfs/dbraw/zinc/49/67/60/1133496760.db2.gz PJVQNGPVNIUNRV-LEWJYISDSA-N 2 1 330.516 3.816 20 0 EHADMP CCCCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001181866822 1133542649 /nfs/dbraw/zinc/54/26/49/1133542649.db2.gz GPUDGPGDIQKCTL-SFHVURJKSA-N 2 1 331.504 3.634 20 0 EHADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCCCCC[NH+](C)C)c1ccccc1 ZINC001182234458 1133595310 /nfs/dbraw/zinc/59/53/10/1133595310.db2.gz JXNNKSTZBSUAIO-HXUWFJFHSA-N 2 1 347.547 3.698 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)nc2C(F)(F)F)[C@H](C)C1 ZINC000787268337 1133987381 /nfs/dbraw/zinc/98/73/81/1133987381.db2.gz DWAXYZPCYGVPAK-DGCLKSJQSA-N 2 1 349.828 3.916 20 0 EHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134821 1134410381 /nfs/dbraw/zinc/41/03/81/1134410381.db2.gz DUSQKDHKQYTTAA-XYEHWOGUSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134821 1134410384 /nfs/dbraw/zinc/41/03/84/1134410384.db2.gz DUSQKDHKQYTTAA-XYEHWOGUSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134821 1134410389 /nfs/dbraw/zinc/41/03/89/1134410389.db2.gz DUSQKDHKQYTTAA-XYEHWOGUSA-N 2 1 346.559 3.636 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001190407381 1134695045 /nfs/dbraw/zinc/69/50/45/1134695045.db2.gz NGYYFCYGWUYYHK-UHFFFAOYSA-N 2 1 341.499 3.884 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001170214927 1134708674 /nfs/dbraw/zinc/70/86/74/1134708674.db2.gz VVCQNWCLRRFVFC-NLWGTHIKSA-N 2 1 346.515 3.914 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170423091 1134829257 /nfs/dbraw/zinc/82/92/57/1134829257.db2.gz CAFQHSOJBOBHBC-GUDVDZBRSA-N 2 1 344.499 3.718 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2CC(C)C)C1 ZINC001191452980 1134861206 /nfs/dbraw/zinc/86/12/06/1134861206.db2.gz AJXTXWKLEMAHEX-OAQYLSRUSA-N 2 1 332.532 3.818 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170429818 1134905726 /nfs/dbraw/zinc/90/57/26/1134905726.db2.gz VRASKHCLLHJENT-GUDVDZBRSA-N 2 1 346.515 3.964 20 0 EHADMP Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531111 1134959526 /nfs/dbraw/zinc/95/95/26/1134959526.db2.gz CSBCSOITBADDLB-DAYGRLMNSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531111 1134959532 /nfs/dbraw/zinc/95/95/32/1134959532.db2.gz CSBCSOITBADDLB-DAYGRLMNSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531111 1134959537 /nfs/dbraw/zinc/95/95/37/1134959537.db2.gz CSBCSOITBADDLB-DAYGRLMNSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000793531111 1134959543 /nfs/dbraw/zinc/95/95/43/1134959543.db2.gz CSBCSOITBADDLB-DAYGRLMNSA-N 2 1 332.517 3.524 20 0 EHADMP C[C@H]([NH2+][C@@H](CCO)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509089 1134976061 /nfs/dbraw/zinc/97/60/61/1134976061.db2.gz HMNKRDZBVDXIOA-WDSOQIARSA-N 2 1 344.524 3.672 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001192674173 1135044663 /nfs/dbraw/zinc/04/46/63/1135044663.db2.gz XPSGJZSGYJNYHS-FCHUYYIVSA-N 2 1 340.511 3.651 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001192674173 1135044667 /nfs/dbraw/zinc/04/46/67/1135044667.db2.gz XPSGJZSGYJNYHS-FCHUYYIVSA-N 2 1 340.511 3.651 20 0 EHADMP CCc1sc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205638010 1135153129 /nfs/dbraw/zinc/15/31/29/1135153129.db2.gz KILBICYGZLQWRW-NWDGAFQWSA-N 2 1 345.350 3.880 20 0 EHADMP c1cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1C[NH+]1CCCCC1 ZINC001197033524 1135643347 /nfs/dbraw/zinc/64/33/47/1135643347.db2.gz WJKWCGOIORVLLQ-WOJBJXKFSA-N 2 1 330.541 3.857 20 0 EHADMP Cc1ccc(C)c(NC(=O)C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001197193922 1135657808 /nfs/dbraw/zinc/65/78/08/1135657808.db2.gz HCGNNCSYRSWVSP-UHFFFAOYSA-N 2 1 345.531 3.542 20 0 EHADMP C[C@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001197377149 1135687366 /nfs/dbraw/zinc/68/73/66/1135687366.db2.gz KINMUEAOQDHJKK-KZSQQDEKSA-N 2 1 327.859 3.959 20 0 EHADMP Cc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737775 1135883327 /nfs/dbraw/zinc/88/33/27/1135883327.db2.gz KNWYXINUSMTNBD-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP Cc1ccccc1-n1nccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737775 1135883330 /nfs/dbraw/zinc/88/33/30/1135883330.db2.gz KNWYXINUSMTNBD-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP COc1cccc2cc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)oc21 ZINC000809754783 1135887358 /nfs/dbraw/zinc/88/73/58/1135887358.db2.gz AXMZQZDWZVHAHO-KRWDZBQOSA-N 2 1 328.456 3.605 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201503357 1136029679 /nfs/dbraw/zinc/02/96/79/1136029679.db2.gz OOLWENQNQWTZCH-UYAOXDASSA-N 2 1 330.516 3.788 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201559529 1136040852 /nfs/dbraw/zinc/04/08/52/1136040852.db2.gz LBEBNOBUAYRUBY-HMXCVIKNSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001201559529 1136040855 /nfs/dbraw/zinc/04/08/55/1136040855.db2.gz LBEBNOBUAYRUBY-HMXCVIKNSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001201559529 1136040858 /nfs/dbraw/zinc/04/08/58/1136040858.db2.gz LBEBNOBUAYRUBY-HMXCVIKNSA-N 2 1 336.564 3.883 20 0 EHADMP CCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201729794 1136056251 /nfs/dbraw/zinc/05/62/51/1136056251.db2.gz CZWSUPZRVMCBOA-HXUWFJFHSA-N 2 1 330.516 3.932 20 0 EHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](CC1CCCC1)CC2 ZINC001202140232 1136099087 /nfs/dbraw/zinc/09/90/87/1136099087.db2.gz XMYPRBBJUZUXAL-UHFFFAOYSA-N 2 1 331.504 3.912 20 0 EHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC001202140020 1136099219 /nfs/dbraw/zinc/09/92/19/1136099219.db2.gz SLZHHFVCVYUOOK-UHFFFAOYSA-N 2 1 334.529 3.605 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312492 1136194362 /nfs/dbraw/zinc/19/43/62/1136194362.db2.gz AXMFOHGFPOVGFZ-KBRIMQKVSA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312492 1136194364 /nfs/dbraw/zinc/19/43/64/1136194364.db2.gz AXMFOHGFPOVGFZ-KBRIMQKVSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312492 1136194368 /nfs/dbraw/zinc/19/43/68/1136194368.db2.gz AXMFOHGFPOVGFZ-KBRIMQKVSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312492 1136194371 /nfs/dbraw/zinc/19/43/71/1136194371.db2.gz AXMFOHGFPOVGFZ-KBRIMQKVSA-N 2 1 344.421 3.543 20 0 EHADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000852087423 1136432338 /nfs/dbraw/zinc/43/23/38/1136432338.db2.gz ZURDZBAPSYSQKI-WOJBJXKFSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000853239241 1136520654 /nfs/dbraw/zinc/52/06/54/1136520654.db2.gz CUGRLCKOHZRLSN-AEFFLSMTSA-N 2 1 328.500 3.784 20 0 EHADMP COC(C)(C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000815628962 1136621417 /nfs/dbraw/zinc/62/14/17/1136621417.db2.gz PCDALCWCYXGKSN-OHSMVPPVSA-N 2 1 330.516 3.975 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000817897659 1136844043 /nfs/dbraw/zinc/84/40/43/1136844043.db2.gz UZCXACQSRJFFAQ-YPAWHYETSA-N 3 1 347.591 3.932 20 0 EHADMP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc3c(c2)CCCO3)cc1 ZINC000817912784 1136845801 /nfs/dbraw/zinc/84/58/01/1136845801.db2.gz XRTPEYYWUOBXCU-MXHMCPQYSA-N 2 1 348.490 3.974 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000818959786 1136895647 /nfs/dbraw/zinc/89/56/47/1136895647.db2.gz SZXCBPQBRJBWFV-AVRDEDQJSA-N 2 1 338.495 3.742 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000818959418 1136895693 /nfs/dbraw/zinc/89/56/93/1136895693.db2.gz JQNZAIUTPOPRCV-KDOFPFPSSA-N 2 1 342.886 3.757 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982448 1136896381 /nfs/dbraw/zinc/89/63/81/1136896381.db2.gz MLMAQIXZABZNKC-UNMCSNQZSA-N 2 1 338.495 3.530 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283025 1136927756 /nfs/dbraw/zinc/92/77/56/1136927756.db2.gz FRDWUOXPCSBILS-FCHUYYIVSA-N 2 1 338.495 3.530 20 0 EHADMP CCC(O)(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000819329721 1136931867 /nfs/dbraw/zinc/93/18/67/1136931867.db2.gz WFFGQAVDYDFNIE-IHWFROFDSA-N 2 1 330.516 3.713 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC001137558146 1136941819 /nfs/dbraw/zinc/94/18/19/1136941819.db2.gz CKPUBXPFYPTQPT-UHFFFAOYSA-N 2 1 341.268 3.506 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccn1 ZINC000858194462 1136948822 /nfs/dbraw/zinc/94/88/22/1136948822.db2.gz GFBPLYMCUAAEQX-IBGZPJMESA-N 2 1 339.458 3.613 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213858 1137007859 /nfs/dbraw/zinc/00/78/59/1137007859.db2.gz KGRPYLOAYBANSX-KRWDZBQOSA-N 2 1 339.483 3.516 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213858 1137007861 /nfs/dbraw/zinc/00/78/61/1137007861.db2.gz KGRPYLOAYBANSX-KRWDZBQOSA-N 2 1 339.483 3.516 20 0 EHADMP CC[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000823555253 1137105660 /nfs/dbraw/zinc/10/56/60/1137105660.db2.gz RRIMHVVLEMHYBR-TZIWHRDSSA-N 2 1 345.531 3.834 20 0 EHADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000863659020 1137197216 /nfs/dbraw/zinc/19/72/16/1137197216.db2.gz ZFFRGANPGSYNEF-QGZVFWFLSA-N 2 1 328.460 3.768 20 0 EHADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@H](O)C[NH2+]C)c2)cc1 ZINC000863691835 1137199677 /nfs/dbraw/zinc/19/96/77/1137199677.db2.gz MLRDNTVTSDFEOX-FGZHOGPDSA-N 2 1 338.495 3.981 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171140130 1137240322 /nfs/dbraw/zinc/24/03/22/1137240322.db2.gz URKBBZXGNVVZMN-WFASDCNBSA-N 2 1 327.299 3.782 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553450 1137269442 /nfs/dbraw/zinc/26/94/42/1137269442.db2.gz SIEOXHNQNPFMKD-CZUORRHYSA-N 2 1 325.294 3.583 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144414403 1137287776 /nfs/dbraw/zinc/28/77/76/1137287776.db2.gz GBKVRISKSAHWIL-UHFFFAOYSA-N 2 1 334.895 3.769 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000865783930 1137311694 /nfs/dbraw/zinc/31/16/94/1137311694.db2.gz WGDUGNMOQJIVJY-MQGJPIDWSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000865783930 1137311695 /nfs/dbraw/zinc/31/16/95/1137311695.db2.gz WGDUGNMOQJIVJY-MQGJPIDWSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1 ZINC000120936257 1137333088 /nfs/dbraw/zinc/33/30/88/1137333088.db2.gz LJQQXKZDJQDMLR-VCBZYWHSSA-N 2 1 339.439 3.937 20 0 EHADMP C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866563558 1137364969 /nfs/dbraw/zinc/36/49/69/1137364969.db2.gz NHXXIXAOGWLPPH-NOXFTYBFSA-N 2 1 349.522 3.673 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)oc21 ZINC000772955188 1137367529 /nfs/dbraw/zinc/36/75/29/1137367529.db2.gz FVJFMQUVJNPEBA-INIZCTEOSA-N 2 1 330.472 3.899 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)oc21 ZINC000772955188 1137367531 /nfs/dbraw/zinc/36/75/31/1137367531.db2.gz FVJFMQUVJNPEBA-INIZCTEOSA-N 2 1 330.472 3.899 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000846813257 1137368858 /nfs/dbraw/zinc/36/88/58/1137368858.db2.gz FAQQIWFGTVPCFX-SJLPKXTDSA-N 2 1 347.528 3.783 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000846813257 1137368859 /nfs/dbraw/zinc/36/88/59/1137368859.db2.gz FAQQIWFGTVPCFX-SJLPKXTDSA-N 2 1 347.528 3.783 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(Br)CC2)cc1 ZINC000846846159 1137371685 /nfs/dbraw/zinc/37/16/85/1137371685.db2.gz DGNTWZZHQHVMGR-LBPRGKRZSA-N 2 1 334.261 3.759 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001171290662 1137396426 /nfs/dbraw/zinc/39/64/26/1137396426.db2.gz AGTZGUWSQUTVSS-LSDHHAIUSA-N 2 1 336.907 3.527 20 0 EHADMP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000772979284 1137399934 /nfs/dbraw/zinc/39/99/34/1137399934.db2.gz IDQIUXOCBVVKAF-XUVXKRRUSA-N 2 1 334.548 3.970 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccnc(Cl)c2)[C@H](C)C1 ZINC000122300215 1137424156 /nfs/dbraw/zinc/42/41/56/1137424156.db2.gz FUXPQVKONAIYSE-VYDXJSESSA-N 2 1 339.911 3.523 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccnc(Cl)c2)[C@H](C)C1 ZINC000122300215 1137424157 /nfs/dbraw/zinc/42/41/57/1137424157.db2.gz FUXPQVKONAIYSE-VYDXJSESSA-N 2 1 339.911 3.523 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC001171353033 1137456359 /nfs/dbraw/zinc/45/63/59/1137456359.db2.gz CIGJANGCFXUUDY-ROUUACIJSA-N 2 1 334.454 3.676 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC001171353033 1137456361 /nfs/dbraw/zinc/45/63/61/1137456361.db2.gz CIGJANGCFXUUDY-ROUUACIJSA-N 2 1 334.454 3.676 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000712394433 1137467886 /nfs/dbraw/zinc/46/78/86/1137467886.db2.gz AACMJHNNZDQJNI-RLLQIKCJSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000712394433 1137467887 /nfs/dbraw/zinc/46/78/87/1137467887.db2.gz AACMJHNNZDQJNI-RLLQIKCJSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712501003 1137468157 /nfs/dbraw/zinc/46/81/57/1137468157.db2.gz FNMZEKBVJRVDPI-IHPCNDPISA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220490 1137476031 /nfs/dbraw/zinc/47/60/31/1137476031.db2.gz SEOYUAAGXFZMIT-NTYOPAKOSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220490 1137476032 /nfs/dbraw/zinc/47/60/32/1137476032.db2.gz SEOYUAAGXFZMIT-NTYOPAKOSA-N 3 1 343.559 3.750 20 0 EHADMP COC1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716637272 1137487945 /nfs/dbraw/zinc/48/79/45/1137487945.db2.gz LZJMEGVDFFYMON-LTAWYNSDSA-N 2 1 328.500 3.587 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625766 1137488031 /nfs/dbraw/zinc/48/80/31/1137488031.db2.gz MUYCLMYVALIOES-POHUPDAJSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716625766 1137488033 /nfs/dbraw/zinc/48/80/33/1137488033.db2.gz MUYCLMYVALIOES-POHUPDAJSA-N 3 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625766 1137488035 /nfs/dbraw/zinc/48/80/35/1137488035.db2.gz MUYCLMYVALIOES-POHUPDAJSA-N 3 1 341.543 3.502 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171513373 1137495492 /nfs/dbraw/zinc/49/54/92/1137495492.db2.gz UMWFIXKBQPFVAC-XQLPTFJDSA-N 2 1 338.417 3.566 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171513373 1137495494 /nfs/dbraw/zinc/49/54/94/1137495494.db2.gz UMWFIXKBQPFVAC-XQLPTFJDSA-N 2 1 338.417 3.566 20 0 EHADMP CC1(C)C[C@H]([NH2+]CC[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171967813 1137520960 /nfs/dbraw/zinc/52/09/60/1137520960.db2.gz NHPIYAGLWFORML-WOJBJXKFSA-N 2 1 330.516 3.978 20 0 EHADMP CO[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989850 1137522465 /nfs/dbraw/zinc/52/24/65/1137522465.db2.gz HWZVVYGZCAQEIH-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989850 1137522467 /nfs/dbraw/zinc/52/24/67/1137522467.db2.gz HWZVVYGZCAQEIH-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989850 1137522469 /nfs/dbraw/zinc/52/24/69/1137522469.db2.gz HWZVVYGZCAQEIH-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989850 1137522470 /nfs/dbraw/zinc/52/24/70/1137522470.db2.gz HWZVVYGZCAQEIH-MISYRCLQSA-N 2 1 330.516 3.929 20 0 EHADMP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973379 1137523913 /nfs/dbraw/zinc/52/39/13/1137523913.db2.gz XZRWQIUSBIKGPR-ACRUOGEOSA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975576 1137524645 /nfs/dbraw/zinc/52/46/45/1137524645.db2.gz MDKKDVLLELWYCI-SFHVURJKSA-N 2 1 327.447 3.754 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[N@H+]1Cc1ccccc1 ZINC001171975576 1137524647 /nfs/dbraw/zinc/52/46/47/1137524647.db2.gz MDKKDVLLELWYCI-SFHVURJKSA-N 2 1 327.447 3.754 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]1(C)O ZINC001171975473 1137524727 /nfs/dbraw/zinc/52/47/27/1137524727.db2.gz DEYZKEKYNVKUTB-CBQOVEMMSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]1(C)O ZINC001171975473 1137524729 /nfs/dbraw/zinc/52/47/29/1137524729.db2.gz DEYZKEKYNVKUTB-CBQOVEMMSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]1(C)O ZINC001171975473 1137524731 /nfs/dbraw/zinc/52/47/31/1137524731.db2.gz DEYZKEKYNVKUTB-CBQOVEMMSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@H](N[C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171977045 1137525203 /nfs/dbraw/zinc/52/52/03/1137525203.db2.gz WLWZZURFYRJZIF-BVOGOJNSSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171977045 1137525205 /nfs/dbraw/zinc/52/52/05/1137525205.db2.gz WLWZZURFYRJZIF-BVOGOJNSSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171977045 1137525207 /nfs/dbraw/zinc/52/52/07/1137525207.db2.gz WLWZZURFYRJZIF-BVOGOJNSSA-N 2 1 341.543 3.502 20 0 EHADMP CC1(C)C[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981250 1137526126 /nfs/dbraw/zinc/52/61/26/1137526126.db2.gz BTYYDESVNQWANK-FQEVSTJZSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979753 1137526252 /nfs/dbraw/zinc/52/62/52/1137526252.db2.gz NNHHGVUANSJRSF-LJQANCHMSA-N 2 1 340.515 3.997 20 0 EHADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979753 1137526253 /nfs/dbraw/zinc/52/62/53/1137526253.db2.gz NNHHGVUANSJRSF-LJQANCHMSA-N 2 1 340.515 3.997 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171980303 1137526371 /nfs/dbraw/zinc/52/63/71/1137526371.db2.gz IABHBXALDYXGGJ-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171982651 1137526768 /nfs/dbraw/zinc/52/67/68/1137526768.db2.gz JGWCQSADZHSNOC-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982651 1137526769 /nfs/dbraw/zinc/52/67/69/1137526769.db2.gz JGWCQSADZHSNOC-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982651 1137526770 /nfs/dbraw/zinc/52/67/70/1137526770.db2.gz JGWCQSADZHSNOC-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@]3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987842 1137527981 /nfs/dbraw/zinc/52/79/81/1137527981.db2.gz KMKXBBFSKXIZGI-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987842 1137527982 /nfs/dbraw/zinc/52/79/82/1137527982.db2.gz KMKXBBFSKXIZGI-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987842 1137527983 /nfs/dbraw/zinc/52/79/83/1137527983.db2.gz KMKXBBFSKXIZGI-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@]3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987839 1137528091 /nfs/dbraw/zinc/52/80/91/1137528091.db2.gz KMKXBBFSKXIZGI-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987839 1137528093 /nfs/dbraw/zinc/52/80/93/1137528093.db2.gz KMKXBBFSKXIZGI-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987839 1137528095 /nfs/dbraw/zinc/52/80/95/1137528095.db2.gz KMKXBBFSKXIZGI-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP O=C1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172077440 1137531163 /nfs/dbraw/zinc/53/11/63/1137531163.db2.gz SIJBFFKALRQXBY-WTGUMLROSA-N 2 1 326.484 3.673 20 0 EHADMP O=C1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172077440 1137531165 /nfs/dbraw/zinc/53/11/65/1137531165.db2.gz SIJBFFKALRQXBY-WTGUMLROSA-N 2 1 326.484 3.673 20 0 EHADMP COCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172063529 1137533107 /nfs/dbraw/zinc/53/31/07/1137533107.db2.gz BABVUJCIJJJZFF-OWZKRDHZSA-N 2 1 328.500 3.731 20 0 EHADMP Fc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063578 1137533186 /nfs/dbraw/zinc/53/31/86/1137533186.db2.gz BXNLBLZOGQQAIH-WKCHPHFGSA-N 2 1 339.458 3.896 20 0 EHADMP Fc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172063578 1137533187 /nfs/dbraw/zinc/53/31/87/1137533187.db2.gz BXNLBLZOGQQAIH-WKCHPHFGSA-N 2 1 339.458 3.896 20 0 EHADMP COC[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067772 1137533958 /nfs/dbraw/zinc/53/39/58/1137533958.db2.gz FOHHJYUWMOJVBA-MXEMCNAFSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067772 1137533960 /nfs/dbraw/zinc/53/39/60/1137533960.db2.gz FOHHJYUWMOJVBA-MXEMCNAFSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067772 1137533961 /nfs/dbraw/zinc/53/39/61/1137533961.db2.gz FOHHJYUWMOJVBA-MXEMCNAFSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC001172069791 1137535041 /nfs/dbraw/zinc/53/50/41/1137535041.db2.gz XJDAWMIUDXFSEN-BURNTYAHSA-N 2 1 330.516 3.833 20 0 EHADMP COc1cccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172131863 1137535569 /nfs/dbraw/zinc/53/55/69/1137535569.db2.gz ZCEYGGACMPLFQV-PMOLBWCYSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172131863 1137535571 /nfs/dbraw/zinc/53/55/71/1137535571.db2.gz ZCEYGGACMPLFQV-PMOLBWCYSA-N 2 1 328.500 3.890 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCc3ccc4c(c31)CCO4)C2 ZINC001172104329 1137536667 /nfs/dbraw/zinc/53/66/67/1137536667.db2.gz BOLUBKNVUPGYKP-CADBVGFASA-N 2 1 340.511 3.646 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109724 1137536935 /nfs/dbraw/zinc/53/69/35/1137536935.db2.gz KJGPGQIDBXSSKU-NFFDBFGFSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001172107709 1137537025 /nfs/dbraw/zinc/53/70/25/1137537025.db2.gz GKLPTYFDGHLPEK-BJWYYQGGSA-N 2 1 327.497 3.915 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001172107709 1137537026 /nfs/dbraw/zinc/53/70/26/1137537026.db2.gz GKLPTYFDGHLPEK-BJWYYQGGSA-N 2 1 327.497 3.915 20 0 EHADMP COc1ccccc1CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172111315 1137537623 /nfs/dbraw/zinc/53/76/23/1137537623.db2.gz PXYIZUZPHPEOKE-REPLKXPHSA-N 2 1 328.500 3.765 20 0 EHADMP COc1ccccc1CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172111315 1137537624 /nfs/dbraw/zinc/53/76/24/1137537624.db2.gz PXYIZUZPHPEOKE-REPLKXPHSA-N 2 1 328.500 3.765 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111475 1137537646 /nfs/dbraw/zinc/53/76/46/1137537646.db2.gz RPSXDRTVMCGVFZ-NXOAAHMSSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111475 1137537647 /nfs/dbraw/zinc/53/76/47/1137537647.db2.gz RPSXDRTVMCGVFZ-NXOAAHMSSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112094 1137537855 /nfs/dbraw/zinc/53/78/55/1137537855.db2.gz SYNRIQHYXGZDTJ-MXEMCNAFSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112094 1137537857 /nfs/dbraw/zinc/53/78/57/1137537857.db2.gz SYNRIQHYXGZDTJ-MXEMCNAFSA-N 2 1 328.500 3.759 20 0 EHADMP COc1ccccc1CC(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112187 1137537966 /nfs/dbraw/zinc/53/79/66/1137537966.db2.gz TYVAUTDEQHLFIP-REPLKXPHSA-N 2 1 330.516 3.869 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1Cc3cccc(Br)c3C1)C2 ZINC001172124249 1137539037 /nfs/dbraw/zinc/53/90/37/1137539037.db2.gz JUOHNLXDSFZGGO-FICVDOATSA-N 2 1 335.289 3.780 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccc(Br)c3C1)C2 ZINC001172124249 1137539039 /nfs/dbraw/zinc/53/90/39/1137539039.db2.gz JUOHNLXDSFZGGO-FICVDOATSA-N 2 1 335.289 3.780 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccc(Br)c3C1)C2 ZINC001172124249 1137539041 /nfs/dbraw/zinc/53/90/41/1137539041.db2.gz JUOHNLXDSFZGGO-FICVDOATSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3cccc(Br)c3C1)C2 ZINC001172124249 1137539043 /nfs/dbraw/zinc/53/90/43/1137539043.db2.gz JUOHNLXDSFZGGO-FICVDOATSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3cccc(Br)c3C1)C2 ZINC001172124249 1137539045 /nfs/dbraw/zinc/53/90/45/1137539045.db2.gz JUOHNLXDSFZGGO-FICVDOATSA-N 2 1 335.289 3.780 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001172253637 1137544696 /nfs/dbraw/zinc/54/46/96/1137544696.db2.gz YJLVABQSMYWLLA-KRWDZBQOSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001172253637 1137544697 /nfs/dbraw/zinc/54/46/97/1137544697.db2.gz YJLVABQSMYWLLA-KRWDZBQOSA-N 2 1 336.907 3.630 20 0 EHADMP C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C[C@@H]1C ZINC001172375271 1137549740 /nfs/dbraw/zinc/54/97/40/1137549740.db2.gz GAAWGOQLGISEHE-CEXWTWQISA-N 2 1 344.547 3.552 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872027243 1137566100 /nfs/dbraw/zinc/56/61/00/1137566100.db2.gz KKTCOPQCJWNCBN-QGZVFWFLSA-N 2 1 334.529 3.703 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872034773 1137566619 /nfs/dbraw/zinc/56/66/19/1137566619.db2.gz RETIVXYVUBDWNM-SFHVURJKSA-N 2 1 347.572 3.619 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC23CC3)cc1 ZINC000872105759 1137571375 /nfs/dbraw/zinc/57/13/75/1137571375.db2.gz BKFCVUOEDPZODP-IVAOSVALSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC23CC3)cc1 ZINC000872105759 1137571376 /nfs/dbraw/zinc/57/13/76/1137571376.db2.gz BKFCVUOEDPZODP-IVAOSVALSA-N 2 1 340.511 3.731 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000872275502 1137577133 /nfs/dbraw/zinc/57/71/33/1137577133.db2.gz NFWLBPOCVXAPRT-WWMYMODYSA-N 2 1 341.499 3.517 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1O ZINC000873231285 1137594567 /nfs/dbraw/zinc/59/45/67/1137594567.db2.gz CPENDUUQRRXOMW-CRAIPNDOSA-N 2 1 332.488 3.520 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000876766049 1137660722 /nfs/dbraw/zinc/66/07/22/1137660722.db2.gz ZZGBJVDJYXFIPV-WCQYABFASA-N 2 1 334.357 3.639 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000876931996 1137665615 /nfs/dbraw/zinc/66/56/15/1137665615.db2.gz AQCNZBDGKODGSZ-HNNXBMFYSA-N 2 1 344.890 3.652 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000876931996 1137665616 /nfs/dbraw/zinc/66/56/16/1137665616.db2.gz AQCNZBDGKODGSZ-HNNXBMFYSA-N 2 1 344.890 3.652 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000877058636 1137669055 /nfs/dbraw/zinc/66/90/55/1137669055.db2.gz DJCQHEGFUHZEAS-DFQSSKMNSA-N 2 1 340.467 3.579 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000877058636 1137669056 /nfs/dbraw/zinc/66/90/56/1137669056.db2.gz DJCQHEGFUHZEAS-DFQSSKMNSA-N 2 1 340.467 3.579 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc3c(s2)CCC3)cn1 ZINC000126400358 1137672474 /nfs/dbraw/zinc/67/24/74/1137672474.db2.gz UFWZTBKTTYPPEG-CYBMUJFWSA-N 2 1 338.480 3.977 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC000877528760 1137679814 /nfs/dbraw/zinc/67/98/14/1137679814.db2.gz JUYPIIKZDFHREO-CYBMUJFWSA-N 2 1 328.287 3.552 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC000877528760 1137679815 /nfs/dbraw/zinc/67/98/15/1137679815.db2.gz JUYPIIKZDFHREO-CYBMUJFWSA-N 2 1 328.287 3.552 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)O2)cc1 ZINC000878122169 1137703538 /nfs/dbraw/zinc/70/35/38/1137703538.db2.gz XIHAKIYFHLTPIR-HBMCJLEFSA-N 2 1 328.500 3.857 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cc1 ZINC000878369357 1137713149 /nfs/dbraw/zinc/71/31/49/1137713149.db2.gz LNFDJSXAVGHWDL-DNVCBOLYSA-N 2 1 325.456 3.933 20 0 EHADMP C=C/C=C/CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000879018729 1137735331 /nfs/dbraw/zinc/73/53/31/1137735331.db2.gz IAGSTNXEBDSWSU-ROUKRRSUSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C/CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018729 1137735332 /nfs/dbraw/zinc/73/53/32/1137735332.db2.gz IAGSTNXEBDSWSU-ROUKRRSUSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C/CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018729 1137735333 /nfs/dbraw/zinc/73/53/33/1137735333.db2.gz IAGSTNXEBDSWSU-ROUKRRSUSA-N 2 1 329.488 3.507 20 0 EHADMP CC(C)C[N@H+](Cc1nc(-c2ccccc2)no1)CC1CC[NH+](C)CC1 ZINC000879702700 1137755887 /nfs/dbraw/zinc/75/58/87/1137755887.db2.gz VRVSEHFQNZNNIC-UHFFFAOYSA-N 2 1 342.487 3.536 20 0 EHADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000879949507 1137763099 /nfs/dbraw/zinc/76/30/99/1137763099.db2.gz XYRBALNSKLGICY-UHFFFAOYSA-N 2 1 339.483 3.781 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000879964368 1137763511 /nfs/dbraw/zinc/76/35/11/1137763511.db2.gz GRLNUCPWRMPCTK-FQEVSTJZSA-N 2 1 330.516 3.655 20 0 EHADMP COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000880176628 1137769918 /nfs/dbraw/zinc/76/99/18/1137769918.db2.gz RDOWPTYAFIHRJY-SFHVURJKSA-N 2 1 345.512 3.770 20 0 EHADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000880176628 1137769919 /nfs/dbraw/zinc/76/99/19/1137769919.db2.gz RDOWPTYAFIHRJY-SFHVURJKSA-N 2 1 345.512 3.770 20 0 EHADMP CC[C@@H]1C[C@@H](CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCO1 ZINC000883345954 1137856184 /nfs/dbraw/zinc/85/61/84/1137856184.db2.gz OAINTRLFHHFSAM-DZFGPLHGSA-N 2 1 343.515 3.588 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000132986903 1137874321 /nfs/dbraw/zinc/87/43/21/1137874321.db2.gz JZBOVLJGKVXUSW-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000331713874 1137918060 /nfs/dbraw/zinc/91/80/60/1137918060.db2.gz MJBGEOGELDMDEM-MAUKXSAKSA-N 2 1 329.488 3.636 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC001202691489 1137927388 /nfs/dbraw/zinc/92/73/88/1137927388.db2.gz LUASXSOMNLLGCG-UHFFFAOYSA-N 2 1 348.494 3.990 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202696726 1137929838 /nfs/dbraw/zinc/92/98/38/1137929838.db2.gz WXVQYRZYXBLVQN-FCHUYYIVSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202696726 1137929839 /nfs/dbraw/zinc/92/98/39/1137929839.db2.gz WXVQYRZYXBLVQN-FCHUYYIVSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202696726 1137929840 /nfs/dbraw/zinc/92/98/40/1137929840.db2.gz WXVQYRZYXBLVQN-FCHUYYIVSA-N 2 1 342.527 3.647 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000119663171 1137943488 /nfs/dbraw/zinc/94/34/88/1137943488.db2.gz DKYDEBRDSFXGBN-LBPRGKRZSA-N 2 1 340.414 3.574 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1OC ZINC000886060173 1138036598 /nfs/dbraw/zinc/03/65/98/1138036598.db2.gz WPOYOAMMDBXEEK-SJORKVTESA-N 2 1 346.515 3.755 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1OC ZINC000886060173 1138036599 /nfs/dbraw/zinc/03/65/99/1138036599.db2.gz WPOYOAMMDBXEEK-SJORKVTESA-N 2 1 346.515 3.755 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000092165293 1138225402 /nfs/dbraw/zinc/22/54/02/1138225402.db2.gz IPVAVWHZYOLPGY-UHFFFAOYSA-N 2 1 326.488 3.691 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000092165293 1138225404 /nfs/dbraw/zinc/22/54/04/1138225404.db2.gz IPVAVWHZYOLPGY-UHFFFAOYSA-N 2 1 326.488 3.691 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093693296 1138239813 /nfs/dbraw/zinc/23/98/13/1138239813.db2.gz ZTNXGKYEJMPCSI-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093693296 1138239814 /nfs/dbraw/zinc/23/98/14/1138239814.db2.gz ZTNXGKYEJMPCSI-QGZVFWFLSA-N 2 1 326.488 3.549 20 0 EHADMP C[C@H]1C[N@@H+](CCCc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205983204 1138263075 /nfs/dbraw/zinc/26/30/75/1138263075.db2.gz OIYKRSLEJQBSCK-HOCLYGCPSA-N 2 1 339.321 3.689 20 0 EHADMP CCn1c2ccccc2nc1[C@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000125160265 1138302145 /nfs/dbraw/zinc/30/21/45/1138302145.db2.gz YJPHTHMOCANKRR-QFBILLFUSA-N 2 1 326.488 3.677 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1Oc1cccnc1 ZINC000125521042 1138311004 /nfs/dbraw/zinc/31/10/04/1138311004.db2.gz UDTUCWXISKMQDW-GOSISDBHSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1Oc1cccnc1 ZINC000125521042 1138311007 /nfs/dbraw/zinc/31/10/07/1138311007.db2.gz UDTUCWXISKMQDW-GOSISDBHSA-N 2 1 325.456 3.566 20 0 EHADMP CCc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CCC2 ZINC000333784612 1138331824 /nfs/dbraw/zinc/33/18/24/1138331824.db2.gz FEQQEJYBZOKABK-AYGPUQNWSA-N 2 1 345.556 3.826 20 0 EHADMP Cc1[nH+]ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000336935919 1138430625 /nfs/dbraw/zinc/43/06/25/1138430625.db2.gz UGNLMGGTXNOZSZ-CQSZACIVSA-N 2 1 330.863 3.960 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838478 1138605903 /nfs/dbraw/zinc/60/59/03/1138605903.db2.gz DBJFYCBOSOEZAB-OLZOCXBDSA-N 2 1 328.909 3.553 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000337947017 1138704512 /nfs/dbraw/zinc/70/45/12/1138704512.db2.gz HGARQIVRCGALOY-UHFFFAOYSA-N 2 1 331.366 3.910 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1)C(C)C ZINC000338212490 1138789481 /nfs/dbraw/zinc/78/94/81/1138789481.db2.gz YSHNDZJAXPLIGX-OAQYLSRUSA-N 2 1 340.515 3.859 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152471943 1139093284 /nfs/dbraw/zinc/09/32/84/1139093284.db2.gz FIGMFJNRMCESCT-RYUDHWBXSA-N 2 1 328.378 3.562 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152471943 1139093292 /nfs/dbraw/zinc/09/32/92/1139093292.db2.gz FIGMFJNRMCESCT-RYUDHWBXSA-N 2 1 328.378 3.562 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179632037 1139770885 /nfs/dbraw/zinc/77/08/85/1139770885.db2.gz FKYDYRRFKXXBJT-INIZCTEOSA-N 2 1 346.906 3.526 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179632037 1139770892 /nfs/dbraw/zinc/77/08/92/1139770892.db2.gz FKYDYRRFKXXBJT-INIZCTEOSA-N 2 1 346.906 3.526 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000179697437 1139776235 /nfs/dbraw/zinc/77/62/35/1139776235.db2.gz KSVSZYPVJFFTCR-PXNSSMCTSA-N 2 1 339.483 3.796 20 0 EHADMP CCOCc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000179940735 1139794838 /nfs/dbraw/zinc/79/48/38/1139794838.db2.gz YPWSEDZOPPORPE-LJQANCHMSA-N 2 1 346.515 3.540 20 0 EHADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000179940735 1139794845 /nfs/dbraw/zinc/79/48/45/1139794845.db2.gz YPWSEDZOPPORPE-LJQANCHMSA-N 2 1 346.515 3.540 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NCCC[NH+]2CCCCC2)C3)cc1 ZINC000180105461 1139810113 /nfs/dbraw/zinc/81/01/13/1139810113.db2.gz GFSSPBRCGPLZNL-FRIKZZABSA-N 2 1 341.543 3.648 20 0 EHADMP CC(C)(C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180143048 1139812359 /nfs/dbraw/zinc/81/23/59/1139812359.db2.gz ZEYPIJUCNQHBGX-RAFMOHDBSA-N 2 1 330.516 3.569 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000181951817 1139942053 /nfs/dbraw/zinc/94/20/53/1139942053.db2.gz BCUCJBAHLSGICY-SJORKVTESA-N 2 1 331.504 3.950 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000184678715 1140114762 /nfs/dbraw/zinc/11/47/62/1140114762.db2.gz AAQFNJOQHHLACM-FZMZJTMJSA-N 2 1 336.277 3.503 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@H+]1C ZINC000184678715 1140114765 /nfs/dbraw/zinc/11/47/65/1140114765.db2.gz AAQFNJOQHHLACM-FZMZJTMJSA-N 2 1 336.277 3.503 20 0 EHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191455954 1140465493 /nfs/dbraw/zinc/46/54/93/1140465493.db2.gz DILIPCUHPQUMCS-OAQYLSRUSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192492921 1140535492 /nfs/dbraw/zinc/53/54/92/1140535492.db2.gz XAHFMBWVNXQKFW-UTKZUKDTSA-N 2 1 330.516 3.966 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCO[C@H](C4CC4)C2)C3)cc1 ZINC000193291813 1140569905 /nfs/dbraw/zinc/56/99/05/1140569905.db2.gz DSTATJRUUSKUHK-HGHNDWQTSA-N 2 1 340.511 3.729 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@@H+]1C ZINC000268823776 1141001033 /nfs/dbraw/zinc/00/10/33/1141001033.db2.gz OVRVEAXPIMTNEH-QFBILLFUSA-N 2 1 337.467 3.511 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@H+]1C ZINC000268823776 1141001035 /nfs/dbraw/zinc/00/10/35/1141001035.db2.gz OVRVEAXPIMTNEH-QFBILLFUSA-N 2 1 337.467 3.511 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014216 /nfs/dbraw/zinc/01/42/16/1141014216.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014223 /nfs/dbraw/zinc/01/42/23/1141014223.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014230 /nfs/dbraw/zinc/01/42/30/1141014230.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014238 /nfs/dbraw/zinc/01/42/38/1141014238.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014242 /nfs/dbraw/zinc/01/42/42/1141014242.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014251 /nfs/dbraw/zinc/01/42/51/1141014251.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014260 /nfs/dbraw/zinc/01/42/60/1141014260.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014268 /nfs/dbraw/zinc/01/42/68/1141014268.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268869464 1141014274 /nfs/dbraw/zinc/01/42/74/1141014274.db2.gz JVJWTQPYKMBHOI-FCEUIQTBSA-N 3 1 343.559 3.750 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268883927 1141017067 /nfs/dbraw/zinc/01/70/67/1141017067.db2.gz XIZNIBXXIMMRBS-WMZOPIPTSA-N 2 1 343.540 3.891 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000268883927 1141017072 /nfs/dbraw/zinc/01/70/72/1141017072.db2.gz XIZNIBXXIMMRBS-WMZOPIPTSA-N 2 1 343.540 3.891 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000268889153 1141019723 /nfs/dbraw/zinc/01/97/23/1141019723.db2.gz NLEAXBPHINPPMX-KKSFZXQISA-N 2 1 335.451 3.739 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268983995 1141039555 /nfs/dbraw/zinc/03/95/55/1141039555.db2.gz DOPUQSURCPKYKW-LPHOPBHVSA-N 2 1 343.902 3.778 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268983995 1141039563 /nfs/dbraw/zinc/03/95/63/1141039563.db2.gz DOPUQSURCPKYKW-LPHOPBHVSA-N 2 1 343.902 3.778 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269008100 1141044619 /nfs/dbraw/zinc/04/46/19/1141044619.db2.gz WOYSMLSRTLCQCK-AZUAARDMSA-N 2 1 332.532 3.675 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000271123890 1141310809 /nfs/dbraw/zinc/31/08/09/1141310809.db2.gz KAYPGYYDAKFAQQ-QWHCGFSZSA-N 2 1 325.378 3.992 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000271432393 1141365355 /nfs/dbraw/zinc/36/53/55/1141365355.db2.gz CFCKWWABXOVORF-MBNYWOFBSA-N 2 1 337.920 3.811 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271505409 1141383076 /nfs/dbraw/zinc/38/30/76/1141383076.db2.gz MRBSURVDNMRONG-JXXFODFXSA-N 2 1 341.499 3.895 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000274401503 1141516836 /nfs/dbraw/zinc/51/68/36/1141516836.db2.gz QFCZMFDJAUQGFU-UHFFFAOYSA-N 2 1 336.277 3.504 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000049856230 214033624 /nfs/dbraw/zinc/03/36/24/214033624.db2.gz GWGSOGFGHKLCLT-CJNGLKHVSA-N 2 1 325.294 3.974 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000037786424 213166518 /nfs/dbraw/zinc/16/65/18/213166518.db2.gz NWMDBFXJRFXNQX-UHFFFAOYSA-N 2 1 325.294 3.802 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643714 213161708 /nfs/dbraw/zinc/16/17/08/213161708.db2.gz VHFKCYBQLDTKLS-CZUORRHYSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1ncc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000261649748 564044742 /nfs/dbraw/zinc/04/47/42/564044742.db2.gz HHOCSXWBTGZLPG-MRXNPFEDSA-N 2 1 333.526 3.657 20 0 EHADMP Cc1ncc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000261649748 564044743 /nfs/dbraw/zinc/04/47/43/564044743.db2.gz HHOCSXWBTGZLPG-MRXNPFEDSA-N 2 1 333.526 3.657 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165018814 721798171 /nfs/dbraw/zinc/79/81/71/721798171.db2.gz CJKWWZRZYWYPFX-SXLOBPIMSA-N 2 1 336.483 3.522 20 0 EHADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165018814 721798173 /nfs/dbraw/zinc/79/81/73/721798173.db2.gz CJKWWZRZYWYPFX-SXLOBPIMSA-N 2 1 336.483 3.522 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2)CC1)CC(C)C ZINC000537999278 1032093396 /nfs/dbraw/zinc/09/33/96/1032093396.db2.gz YATVHTZMLAQXOA-UHFFFAOYSA-N 2 1 345.531 3.705 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603607 1015055740 /nfs/dbraw/zinc/05/57/40/1015055740.db2.gz FSWCVYUTRSPBQU-WMLDXEAASA-N 2 1 337.305 3.928 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603607 1015055747 /nfs/dbraw/zinc/05/57/47/1015055747.db2.gz FSWCVYUTRSPBQU-WMLDXEAASA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603607 1015055757 /nfs/dbraw/zinc/05/57/57/1015055757.db2.gz FSWCVYUTRSPBQU-WMLDXEAASA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603607 1015055767 /nfs/dbraw/zinc/05/57/67/1015055767.db2.gz FSWCVYUTRSPBQU-WMLDXEAASA-N 2 1 337.305 3.928 20 0 EHADMP CSCC1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000449063861 1032109701 /nfs/dbraw/zinc/10/97/01/1032109701.db2.gz RLAZLXJYOLNTMZ-UHFFFAOYSA-N 2 1 348.556 3.530 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274862587 1015515802 /nfs/dbraw/zinc/51/58/02/1015515802.db2.gz DCFJNZVUUNVZMQ-NPPFBWRTSA-N 2 1 338.495 3.740 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000182768464 1032128140 /nfs/dbraw/zinc/12/81/40/1032128140.db2.gz RFRYZEUZLFZHQP-OAHLLOKOSA-N 2 1 334.508 3.842 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000471227215 1015824365 /nfs/dbraw/zinc/82/43/65/1015824365.db2.gz PEPOUZNQRVVWAM-YOEHRIQHSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000471227215 1015824373 /nfs/dbraw/zinc/82/43/73/1015824373.db2.gz PEPOUZNQRVVWAM-YOEHRIQHSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000471227215 1015824383 /nfs/dbraw/zinc/82/43/83/1015824383.db2.gz PEPOUZNQRVVWAM-YOEHRIQHSA-N 2 1 344.421 3.746 20 0 EHADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000180543412 1015978448 /nfs/dbraw/zinc/97/84/48/1015978448.db2.gz GBWPFYGSWHNISU-GOSISDBHSA-N 2 1 336.545 3.504 20 0 EHADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)ccc2c1 ZINC000275516962 1016952405 /nfs/dbraw/zinc/95/24/05/1016952405.db2.gz KSWOZIKKDXXMEQ-CVEARBPZSA-N 2 1 335.451 3.958 20 0 EHADMP Cc1sc(CC[NH2+]C2CC[NH+](C3CC3)CC2)nc1-c1ccccc1 ZINC000459456327 1032153791 /nfs/dbraw/zinc/15/37/91/1032153791.db2.gz FPVOOLSJICWQQZ-UHFFFAOYSA-N 2 1 341.524 3.877 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2Sc2ccccc2)C1 ZINC000459457386 1032157033 /nfs/dbraw/zinc/15/70/33/1032157033.db2.gz CERNPRVWYPOESO-VBSBHUPXSA-N 2 1 348.556 3.646 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(Cl)n1 ZINC000708507419 1032158818 /nfs/dbraw/zinc/15/88/18/1032158818.db2.gz VDMTVKBDNFIJLZ-KXBFYZLASA-N 2 1 343.902 3.901 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449074779 1032161595 /nfs/dbraw/zinc/16/15/95/1032161595.db2.gz VDQDBOVVXMKLMZ-GFCCVEGCSA-N 2 1 343.298 3.977 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657838856 1032180817 /nfs/dbraw/zinc/18/08/17/1032180817.db2.gz ZOOMGBKQGSWUSF-FXAWDEMLSA-N 2 1 328.500 3.862 20 0 EHADMP c1nc(CCc2ccccc2)sc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449089909 1032194886 /nfs/dbraw/zinc/19/48/86/1032194886.db2.gz LTULANYCFJETBL-QZTJIDSGSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449089909 1032194899 /nfs/dbraw/zinc/19/48/99/1032194899.db2.gz LTULANYCFJETBL-QZTJIDSGSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449089909 1032194905 /nfs/dbraw/zinc/19/49/05/1032194905.db2.gz LTULANYCFJETBL-QZTJIDSGSA-N 2 1 341.524 3.645 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449090617 1032196310 /nfs/dbraw/zinc/19/63/10/1032196310.db2.gz HJVOZPOGWVPCRC-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449090617 1032196320 /nfs/dbraw/zinc/19/63/20/1032196320.db2.gz HJVOZPOGWVPCRC-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000461108639 1032259992 /nfs/dbraw/zinc/25/99/92/1032259992.db2.gz NKRHASDSIQSZKW-AEFFLSMTSA-N 2 1 348.531 3.834 20 0 EHADMP CCC[N@@H+](C)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000459546531 1032263689 /nfs/dbraw/zinc/26/36/89/1032263689.db2.gz SVXVKBXMJQKUAB-HXUWFJFHSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000538304838 1032283855 /nfs/dbraw/zinc/28/38/55/1032283855.db2.gz MHQQEZVWJGZULD-PLACYPQZSA-N 2 1 330.516 3.754 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000449185235 1032300070 /nfs/dbraw/zinc/30/00/70/1032300070.db2.gz JFYVAWMZIPXEMP-SJLPKXTDSA-N 2 1 335.580 3.880 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000185203997 1032367846 /nfs/dbraw/zinc/36/78/46/1032367846.db2.gz IJVYGWUBROVCOG-UHFFFAOYSA-N 2 1 344.528 3.984 20 0 EHADMP COc1cc(C)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449242211 1032378452 /nfs/dbraw/zinc/37/84/52/1032378452.db2.gz WQDPMISSAVALCU-UHFFFAOYSA-N 2 1 339.483 3.747 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000459734311 1032438140 /nfs/dbraw/zinc/43/81/40/1032438140.db2.gz OMEHVVWMHLOXIK-CQSZACIVSA-N 2 1 332.879 3.552 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000459740245 1032455071 /nfs/dbraw/zinc/45/50/71/1032455071.db2.gz TZHLFXPUFWMUTJ-GFCCVEGCSA-N 2 1 332.822 3.763 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000459796689 1032478877 /nfs/dbraw/zinc/47/88/77/1032478877.db2.gz WFRMQMMZPFRQGO-KBPBESRZSA-N 2 1 325.294 3.832 20 0 EHADMP Brc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000449454147 1032571132 /nfs/dbraw/zinc/57/11/32/1032571132.db2.gz JOGYMXIGNBVDCZ-NYTNPOERSA-N 2 1 335.289 3.679 20 0 EHADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522312 1032582394 /nfs/dbraw/zinc/58/23/94/1032582394.db2.gz SVQZYAKZGJZEQB-DBVUQKKJSA-N 2 1 346.515 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000090545820 1032586053 /nfs/dbraw/zinc/58/60/53/1032586053.db2.gz CLYIBMJDGNRQNA-ZDFPQIBNSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000090545820 1032586071 /nfs/dbraw/zinc/58/60/71/1032586071.db2.gz CLYIBMJDGNRQNA-ZDFPQIBNSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090586344 1032587557 /nfs/dbraw/zinc/58/75/57/1032587557.db2.gz USRGXGCTCVHSBZ-IBGZPJMESA-N 2 1 335.580 3.741 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090586344 1032587570 /nfs/dbraw/zinc/58/75/70/1032587570.db2.gz USRGXGCTCVHSBZ-IBGZPJMESA-N 3 1 335.580 3.741 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090586344 1032587581 /nfs/dbraw/zinc/58/75/81/1032587581.db2.gz USRGXGCTCVHSBZ-IBGZPJMESA-N 3 1 335.580 3.741 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000537324390 1032632276 /nfs/dbraw/zinc/63/22/76/1032632276.db2.gz ZMHKBQBRTLHRQM-LPHOPBHVSA-N 2 1 334.552 3.535 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000537342308 1032643922 /nfs/dbraw/zinc/64/39/22/1032643922.db2.gz AFCBGIJHKDOGJH-GHTZIAJQSA-N 2 1 344.499 3.956 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000119139112 1032651265 /nfs/dbraw/zinc/65/12/65/1032651265.db2.gz JVCJESHGCFJQGH-UHFFFAOYSA-N 2 1 342.306 3.928 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(Br)cs1 ZINC000119139112 1032651275 /nfs/dbraw/zinc/65/12/75/1032651275.db2.gz JVCJESHGCFJQGH-UHFFFAOYSA-N 2 1 342.306 3.928 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892738134 1017282366 /nfs/dbraw/zinc/28/23/66/1017282366.db2.gz RSEHUUZKZVMZAQ-OAHLLOKOSA-N 2 1 333.501 3.609 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892738134 1017282376 /nfs/dbraw/zinc/28/23/76/1017282376.db2.gz RSEHUUZKZVMZAQ-OAHLLOKOSA-N 2 1 333.501 3.609 20 0 EHADMP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415036140 1017425410 /nfs/dbraw/zinc/42/54/10/1017425410.db2.gz FHZBWJYFRRQBFB-ZFWWWQNUSA-N 2 1 344.833 3.905 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415036140 1017425427 /nfs/dbraw/zinc/42/54/27/1017425427.db2.gz FHZBWJYFRRQBFB-ZFWWWQNUSA-N 2 1 344.833 3.905 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415034772 1017440524 /nfs/dbraw/zinc/44/05/24/1017440524.db2.gz DBRKERYXGLHFHZ-CRAIPNDOSA-N 2 1 329.875 3.852 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655721348 1017461930 /nfs/dbraw/zinc/46/19/30/1017461930.db2.gz NVIBNPIVJGOXHY-UHFFFAOYSA-N 2 1 344.478 3.674 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056134 1017478158 /nfs/dbraw/zinc/47/81/58/1017478158.db2.gz RNOKJYGWHAJECJ-MAUKXSAKSA-N 2 1 329.875 3.852 20 0 EHADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655735298 1017500831 /nfs/dbraw/zinc/50/08/31/1017500831.db2.gz GMEIIVKKGXKZAW-IEBWSBKVSA-N 2 1 342.527 3.685 20 0 EHADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1Oc1cccnc1 ZINC000415071939 1017515473 /nfs/dbraw/zinc/51/54/73/1017515473.db2.gz XEVQUBHYGLHKNI-IBGZPJMESA-N 2 1 325.456 3.789 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415087671 1017537128 /nfs/dbraw/zinc/53/71/28/1017537128.db2.gz LEVXELXLPARCTR-YJLNNSPDSA-N 2 1 328.431 3.978 20 0 EHADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000415108084 1017564562 /nfs/dbraw/zinc/56/45/62/1017564562.db2.gz OQCLFHDRUHOYFT-YOEHRIQHSA-N 2 1 329.419 3.633 20 0 EHADMP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)c1 ZINC000415120200 1017581199 /nfs/dbraw/zinc/58/11/99/1017581199.db2.gz KXOYJSUNPIVAKZ-FCHUYYIVSA-N 2 1 346.478 3.514 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000580302090 1017734285 /nfs/dbraw/zinc/73/42/85/1017734285.db2.gz LRLVTCMIXLECQF-NHCUHLMSSA-N 2 1 342.527 3.846 20 0 EHADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(Cc2ccccc2)c1 ZINC000655849646 1017768671 /nfs/dbraw/zinc/76/86/71/1017768671.db2.gz XRBIGSXTCZOPED-WMQCIHAUSA-N 2 1 338.499 3.599 20 0 EHADMP CCc1ccc(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000472762450 1017770636 /nfs/dbraw/zinc/77/06/36/1017770636.db2.gz CFSDODGKXIQIIT-UHFFFAOYSA-N 2 1 343.559 3.630 20 0 EHADMP Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C2CC2)n1 ZINC000893019765 1018181019 /nfs/dbraw/zinc/18/10/19/1018181019.db2.gz MURMRURDGYQJEX-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C2CC2)n1 ZINC000893019765 1018181024 /nfs/dbraw/zinc/18/10/24/1018181024.db2.gz MURMRURDGYQJEX-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C2CC2)n1 ZINC000893019765 1018181029 /nfs/dbraw/zinc/18/10/29/1018181029.db2.gz MURMRURDGYQJEX-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000683726611 1018192560 /nfs/dbraw/zinc/19/25/60/1018192560.db2.gz HKQAFTOYHJCEMB-KRWDZBQOSA-N 2 1 338.451 3.800 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123503362 1018313914 /nfs/dbraw/zinc/31/39/14/1018313914.db2.gz YNNKFBHWDYFBFR-OLZOCXBDSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123503362 1018313929 /nfs/dbraw/zinc/31/39/29/1018313929.db2.gz YNNKFBHWDYFBFR-OLZOCXBDSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123503362 1018313941 /nfs/dbraw/zinc/31/39/41/1018313941.db2.gz YNNKFBHWDYFBFR-OLZOCXBDSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123503362 1018313952 /nfs/dbraw/zinc/31/39/52/1018313952.db2.gz YNNKFBHWDYFBFR-OLZOCXBDSA-N 2 1 331.287 3.787 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000377751444 1018320945 /nfs/dbraw/zinc/32/09/45/1018320945.db2.gz XQFKMEOVHNLFFI-IAGOWNOFSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000377751444 1018320957 /nfs/dbraw/zinc/32/09/57/1018320957.db2.gz XQFKMEOVHNLFFI-IAGOWNOFSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1cc(F)ncc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000893098109 1018461543 /nfs/dbraw/zinc/46/15/43/1018461543.db2.gz GFNGDUYHSWODPG-APWZRJJASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000893098109 1018461557 /nfs/dbraw/zinc/46/15/57/1018461557.db2.gz GFNGDUYHSWODPG-APWZRJJASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000893098109 1018461564 /nfs/dbraw/zinc/46/15/64/1018461564.db2.gz GFNGDUYHSWODPG-APWZRJJASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894164357 1018798572 /nfs/dbraw/zinc/79/85/72/1018798572.db2.gz GSZHFMKBPDYSGF-NSHDSACASA-N 2 1 334.876 3.881 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccccc2OC)CC1 ZINC000052210258 1018872939 /nfs/dbraw/zinc/87/29/39/1018872939.db2.gz OKVBBMOTYBNQPC-UHFFFAOYSA-N 2 1 334.504 3.518 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000894183628 1019085017 /nfs/dbraw/zinc/08/50/17/1019085017.db2.gz FFADTCUHGVFAFH-IYBDPMFKSA-N 2 1 327.472 3.751 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000894183628 1019085031 /nfs/dbraw/zinc/08/50/31/1019085031.db2.gz FFADTCUHGVFAFH-IYBDPMFKSA-N 2 1 327.472 3.751 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398014086 1019173709 /nfs/dbraw/zinc/17/37/09/1019173709.db2.gz FHDTWFAZNZWVHB-DENIHFKCSA-N 2 1 343.559 3.607 20 0 EHADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000656211632 1019304268 /nfs/dbraw/zinc/30/42/68/1019304268.db2.gz IKMQDLGKWUSPBR-TXEJJXNPSA-N 2 1 334.261 3.749 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000125509028 1019314881 /nfs/dbraw/zinc/31/48/81/1019314881.db2.gz HXBMFFZXVIRPGM-KRWDZBQOSA-N 2 1 340.515 3.553 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000125509028 1019314895 /nfs/dbraw/zinc/31/48/95/1019314895.db2.gz HXBMFFZXVIRPGM-KRWDZBQOSA-N 2 1 340.515 3.553 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000125549976 1019326598 /nfs/dbraw/zinc/32/65/98/1019326598.db2.gz HWYAUSWFWCXMPD-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000125549976 1019326615 /nfs/dbraw/zinc/32/66/15/1019326615.db2.gz HWYAUSWFWCXMPD-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCCC[NH+]3CCCC3)c2C1 ZINC000729366587 1019327046 /nfs/dbraw/zinc/32/70/46/1019327046.db2.gz CKUCRFYGRQEZQD-UHFFFAOYSA-N 2 1 329.488 3.617 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)CCCC[NH+]3CCCC3)c2C1 ZINC000729366587 1019327058 /nfs/dbraw/zinc/32/70/58/1019327058.db2.gz CKUCRFYGRQEZQD-UHFFFAOYSA-N 2 1 329.488 3.617 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261869222 1019485940 /nfs/dbraw/zinc/48/59/40/1019485940.db2.gz QLKNPZPUZMRMQB-KRWDZBQOSA-N 2 1 343.515 3.779 20 0 EHADMP Cc1nc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513498829 1019755896 /nfs/dbraw/zinc/75/58/96/1019755896.db2.gz CDKBCRHAIQIUIG-CRAIPNDOSA-N 2 1 329.513 3.842 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647564 1019794063 /nfs/dbraw/zinc/79/40/63/1019794063.db2.gz YWTXOQLKCGRRNP-RTBURBONSA-N 2 1 328.500 3.731 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000580647564 1019794081 /nfs/dbraw/zinc/79/40/81/1019794081.db2.gz YWTXOQLKCGRRNP-RTBURBONSA-N 2 1 328.500 3.731 20 0 EHADMP Cc1noc(C)c1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544028 1019809649 /nfs/dbraw/zinc/80/96/49/1019809649.db2.gz CBEQFWGGKICVKF-KXBFYZLASA-N 2 1 327.472 3.682 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@H]2CCC[C@H]21 ZINC000513673659 1019924156 /nfs/dbraw/zinc/92/41/56/1019924156.db2.gz VNVXXZSRVZLUAR-VNQPRFMTSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@H]2CCC[C@H]21 ZINC000513673659 1019924163 /nfs/dbraw/zinc/92/41/63/1019924163.db2.gz VNVXXZSRVZLUAR-VNQPRFMTSA-N 2 1 341.268 3.551 20 0 EHADMP CN(C)C(=O)Sc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000084092185 1020315987 /nfs/dbraw/zinc/31/59/87/1020315987.db2.gz LEZALBLCIXUBFE-KRWDZBQOSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000084092185 1020315994 /nfs/dbraw/zinc/31/59/94/1020315994.db2.gz LEZALBLCIXUBFE-KRWDZBQOSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000084092185 1020316003 /nfs/dbraw/zinc/31/60/03/1020316003.db2.gz LEZALBLCIXUBFE-KRWDZBQOSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000084092185 1020316012 /nfs/dbraw/zinc/31/60/12/1020316012.db2.gz LEZALBLCIXUBFE-KRWDZBQOSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000084092185 1020316020 /nfs/dbraw/zinc/31/60/20/1020316020.db2.gz LEZALBLCIXUBFE-KRWDZBQOSA-N 2 1 349.544 3.767 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000580991647 1020339734 /nfs/dbraw/zinc/33/97/34/1020339734.db2.gz QHZIHIBVVCBMNE-SFHLNBCPSA-N 2 1 346.563 3.792 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000581017930 1020362323 /nfs/dbraw/zinc/36/23/23/1020362323.db2.gz OXAOZYAQUZDXKJ-QHAWAJNXSA-N 2 1 342.527 3.836 20 0 EHADMP CCn1nc(C)c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000307964506 1020436356 /nfs/dbraw/zinc/43/63/56/1020436356.db2.gz JPHHZDRCGKRLEM-NRFANRHFSA-N 2 1 340.515 3.522 20 0 EHADMP CCn1nc(C)c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000307964506 1020436363 /nfs/dbraw/zinc/43/63/63/1020436363.db2.gz JPHHZDRCGKRLEM-NRFANRHFSA-N 2 1 340.515 3.522 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340868099 1020486885 /nfs/dbraw/zinc/48/68/85/1020486885.db2.gz DTNXZVWGNNHEBB-UHFFFAOYSA-N 2 1 339.483 3.896 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340868099 1020486889 /nfs/dbraw/zinc/48/68/89/1020486889.db2.gz DTNXZVWGNNHEBB-UHFFFAOYSA-N 2 1 339.483 3.896 20 0 EHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000647146811 1020559812 /nfs/dbraw/zinc/55/98/12/1020559812.db2.gz CJKNUBPMMFMDOM-IBGZPJMESA-N 2 1 348.450 3.793 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000513702409 1020598127 /nfs/dbraw/zinc/59/81/27/1020598127.db2.gz ITCCDFVRCURNAA-IKGGRYGDSA-N 2 1 342.405 3.590 20 0 EHADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000234288153 1020633969 /nfs/dbraw/zinc/63/39/69/1020633969.db2.gz RZMKEWNGKYSIDZ-UHFFFAOYSA-N 2 1 331.685 3.804 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430549494 1020639999 /nfs/dbraw/zinc/63/99/99/1020639999.db2.gz XVWOGDADPOAPAY-FUHWJXTLSA-N 2 1 334.467 3.561 20 0 EHADMP C[C@@](C[NH3+])([NH2+]CCCCOc1ccccc1C(F)(F)F)C1CC1 ZINC000430553158 1020661675 /nfs/dbraw/zinc/66/16/75/1020661675.db2.gz CTGDVRMBFGPFMU-INIZCTEOSA-N 2 1 330.394 3.581 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206668 1020908528 /nfs/dbraw/zinc/90/85/28/1020908528.db2.gz HVBOHDDYGVEXJN-HOTGVXAUSA-N 2 1 326.488 3.655 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206668 1020908531 /nfs/dbraw/zinc/90/85/31/1020908531.db2.gz HVBOHDDYGVEXJN-HOTGVXAUSA-N 2 1 326.488 3.655 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000276241852 1020956566 /nfs/dbraw/zinc/95/65/66/1020956566.db2.gz OMRQMQSWHBTEJK-IGOJGBNBSA-N 2 1 343.540 3.740 20 0 EHADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000581564060 1021092246 /nfs/dbraw/zinc/09/22/46/1021092246.db2.gz FPQNVLAQQDIZPU-RTOMLYRKSA-N 2 1 342.527 3.570 20 0 EHADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167963818 1021217401 /nfs/dbraw/zinc/21/74/01/1021217401.db2.gz FJUXLGLYTOVADV-NXEWRWPSSA-N 2 1 348.918 3.759 20 0 EHADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167963818 1021217409 /nfs/dbraw/zinc/21/74/09/1021217409.db2.gz FJUXLGLYTOVADV-NXEWRWPSSA-N 2 1 348.918 3.759 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)CC1 ZINC000639758594 1021242151 /nfs/dbraw/zinc/24/21/51/1021242151.db2.gz VWSCPHNWGXVOMH-UHFFFAOYSA-N 2 1 337.467 3.792 20 0 EHADMP COc1ccc2oc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000656781995 1021321917 /nfs/dbraw/zinc/32/19/17/1021321917.db2.gz BZNVKAPGZQVLDG-INIZCTEOSA-N 2 1 328.456 3.653 20 0 EHADMP Brc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656786245 1021335502 /nfs/dbraw/zinc/33/55/02/1021335502.db2.gz QTDXAAYACUGMCL-CQSZACIVSA-N 2 1 343.334 3.722 20 0 EHADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)nc1 ZINC000656785620 1021338098 /nfs/dbraw/zinc/33/80/98/1021338098.db2.gz MYXIAYDCHRLILO-NRFANRHFSA-N 2 1 335.495 3.960 20 0 EHADMP Clc1ccc(OCC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000348525631 1021351837 /nfs/dbraw/zinc/35/18/37/1021351837.db2.gz OVGCPMYBPFJGAV-LBPRGKRZSA-N 2 1 340.254 3.975 20 0 EHADMP Clc1ccc(OCCN2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000348525631 1021351855 /nfs/dbraw/zinc/35/18/55/1021351855.db2.gz OVGCPMYBPFJGAV-LBPRGKRZSA-N 2 1 340.254 3.975 20 0 EHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788757 1021352493 /nfs/dbraw/zinc/35/24/93/1021352493.db2.gz CBECILWOXBXRMG-UHFFFAOYSA-N 2 1 346.906 3.563 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000638801962 1021443751 /nfs/dbraw/zinc/44/37/51/1021443751.db2.gz CFZUNOJZNRKCGC-GGPKGHCWSA-N 2 1 328.500 3.902 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000638801962 1021443763 /nfs/dbraw/zinc/44/37/63/1021443763.db2.gz CFZUNOJZNRKCGC-GGPKGHCWSA-N 2 1 328.500 3.902 20 0 EHADMP Cc1nc2ccc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cc2s1 ZINC000426414074 1021514259 /nfs/dbraw/zinc/51/42/59/1021514259.db2.gz VWNGMCNTAAVCPR-UHFFFAOYSA-N 2 1 340.496 3.793 20 0 EHADMP COCC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000426410381 1021521094 /nfs/dbraw/zinc/52/10/94/1021521094.db2.gz JAKFWTBBZPRMGL-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000426410381 1021521105 /nfs/dbraw/zinc/52/11/05/1021521105.db2.gz JAKFWTBBZPRMGL-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000426410381 1021521116 /nfs/dbraw/zinc/52/11/16/1021521116.db2.gz JAKFWTBBZPRMGL-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000519841207 1021718206 /nfs/dbraw/zinc/71/82/06/1021718206.db2.gz KWPNCBCTVWOLME-JBACZVJFSA-N 2 1 330.516 3.836 20 0 EHADMP CC[N@@H+](Cc1cccs1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000506041359 1021768775 /nfs/dbraw/zinc/76/87/75/1021768775.db2.gz UHAYWZJDNPPAGY-UHFFFAOYSA-N 2 1 343.540 3.912 20 0 EHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000276652104 1022052369 /nfs/dbraw/zinc/05/23/69/1022052369.db2.gz MLJXSBSQOROALU-GOSISDBHSA-N 2 1 325.481 3.906 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccc2ccccc2c1 ZINC000441261167 1022107605 /nfs/dbraw/zinc/10/76/05/1022107605.db2.gz HINQOONIZSZRDY-FSSWDIPSSA-N 2 1 338.495 3.566 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc2ccccc21 ZINC000925025060 1022137128 /nfs/dbraw/zinc/13/71/28/1022137128.db2.gz ZLFHIOQIXPPKQF-JKSUJKDBSA-N 2 1 332.513 3.789 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000425922345 1022209371 /nfs/dbraw/zinc/20/93/71/1022209371.db2.gz JYAWQOGCMLLLEZ-NMLBUPMWSA-N 2 1 330.541 3.772 20 0 EHADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742397 1022219331 /nfs/dbraw/zinc/21/93/31/1022219331.db2.gz MQRQGLGVDPZFAY-UHFFFAOYSA-N 2 1 342.405 3.680 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425925389 1022222798 /nfs/dbraw/zinc/22/27/98/1022222798.db2.gz WLHXAVOCOZWQRC-SFHVURJKSA-N 2 1 343.515 3.810 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187766297 1022236279 /nfs/dbraw/zinc/23/62/79/1022236279.db2.gz NPPBSLJWSUWFHW-FCHUYYIVSA-N 2 1 343.559 3.504 20 0 EHADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321556 1033039642 /nfs/dbraw/zinc/03/96/42/1033039642.db2.gz JLDIEHANNVDNKK-DFQSSKMNSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321556 1033039653 /nfs/dbraw/zinc/03/96/53/1033039653.db2.gz JLDIEHANNVDNKK-DFQSSKMNSA-N 2 1 330.516 3.570 20 0 EHADMP CCc1cc(N2CC[NH+](Cc3ccncc3)CC2)c2ccccc2[nH+]1 ZINC000123060444 1022311996 /nfs/dbraw/zinc/31/19/96/1022311996.db2.gz SIAZWKFLJLRYCG-UHFFFAOYSA-N 2 1 332.451 3.514 20 0 EHADMP C[C@@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)C[NH+](C)C ZINC000425941205 1022327227 /nfs/dbraw/zinc/32/72/27/1022327227.db2.gz BNKGFAGXBFUGJP-ZBEGNZNMSA-N 2 1 343.284 3.827 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000425944042 1022337413 /nfs/dbraw/zinc/33/74/13/1022337413.db2.gz LDPCCOHDFNVPPF-DOTOQJQBSA-N 2 1 328.504 3.646 20 0 EHADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000127894007 1022398655 /nfs/dbraw/zinc/39/86/55/1022398655.db2.gz BXWBBZHIEUTNBH-OAHLLOKOSA-N 2 1 325.294 3.577 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1 ZINC000130934678 1022473763 /nfs/dbraw/zinc/47/37/63/1022473763.db2.gz XGXLQSCSFYRUSI-CQSZACIVSA-N 2 1 349.438 3.522 20 0 EHADMP CCc1noc(C)c1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471863122 1022690566 /nfs/dbraw/zinc/69/05/66/1022690566.db2.gz UUDGOJPRCVXOHA-NQIIRXRSSA-N 2 1 341.499 3.718 20 0 EHADMP CC1(C)C[N@@H+](CCCCCO)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837785 1022702497 /nfs/dbraw/zinc/70/24/97/1022702497.db2.gz ZUMVXZKCLWREDZ-OAQYLSRUSA-N 2 1 344.543 3.772 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000550200892 1022720116 /nfs/dbraw/zinc/72/01/16/1022720116.db2.gz ZDEWNDQVPCHMNL-INIZCTEOSA-N 2 1 337.305 3.613 20 0 EHADMP CC(C)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167979046 1022753373 /nfs/dbraw/zinc/75/33/73/1022753373.db2.gz TYYAMEILKUFOHF-IHWFROFDSA-N 2 1 334.548 3.824 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)oc2c1 ZINC000426052537 1022781883 /nfs/dbraw/zinc/78/18/83/1022781883.db2.gz YKICMSRFVHKZFW-SNRMKQJTSA-N 2 1 342.483 3.770 20 0 EHADMP c1cc2cccc(OCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2o1 ZINC001167981963 1022788351 /nfs/dbraw/zinc/78/83/51/1022788351.db2.gz RATOHBHSFAAGAF-YQQQUEKLSA-N 2 1 340.467 3.807 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000187911416 1022799634 /nfs/dbraw/zinc/79/96/34/1022799634.db2.gz XRTKAXZFSMVNRX-PMACEKPBSA-N 2 1 344.524 3.946 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC1CCCC1 ZINC000341655507 1022864286 /nfs/dbraw/zinc/86/42/86/1022864286.db2.gz HGXXEPCKTUOYIB-OAHLLOKOSA-N 2 1 343.471 3.872 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCc1ccccc1 ZINC000414941990 1022933726 /nfs/dbraw/zinc/93/37/26/1022933726.db2.gz DFPQUHAPYGLFTL-APWZRJJASA-N 2 1 340.467 3.504 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CNc1[nH+]c2ccc(F)cc2n1C ZINC000431041609 1023175400 /nfs/dbraw/zinc/17/54/00/1023175400.db2.gz WWNIZOPKAUPCBV-UHFFFAOYSA-N 2 1 340.446 3.587 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1[nH+]c2ccc(F)cc2n1C ZINC000431041609 1023175402 /nfs/dbraw/zinc/17/54/02/1023175402.db2.gz WWNIZOPKAUPCBV-UHFFFAOYSA-N 2 1 340.446 3.587 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268745 1023178164 /nfs/dbraw/zinc/17/81/64/1023178164.db2.gz WBHKFUUAIDNCBM-SFKKXYGYSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268745 1023178171 /nfs/dbraw/zinc/17/81/71/1023178171.db2.gz WBHKFUUAIDNCBM-SFKKXYGYSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268745 1023178176 /nfs/dbraw/zinc/17/81/76/1023178176.db2.gz WBHKFUUAIDNCBM-SFKKXYGYSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268745 1023178182 /nfs/dbraw/zinc/17/81/82/1023178182.db2.gz WBHKFUUAIDNCBM-SFKKXYGYSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268745 1023178185 /nfs/dbraw/zinc/17/81/85/1023178185.db2.gz WBHKFUUAIDNCBM-SFKKXYGYSA-N 2 1 338.442 3.965 20 0 EHADMP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441495454 1023266163 /nfs/dbraw/zinc/26/61/63/1023266163.db2.gz XDQQNNOQAYUKDY-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441495454 1023266168 /nfs/dbraw/zinc/26/61/68/1023266168.db2.gz XDQQNNOQAYUKDY-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000092165358 1023325183 /nfs/dbraw/zinc/32/51/83/1023325183.db2.gz CZDSBOPIOKFZTF-UHFFFAOYSA-N 2 1 330.394 3.733 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000092165358 1023325193 /nfs/dbraw/zinc/32/51/93/1023325193.db2.gz CZDSBOPIOKFZTF-UHFFFAOYSA-N 2 1 330.394 3.733 20 0 EHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000536219776 1033147305 /nfs/dbraw/zinc/14/73/05/1033147305.db2.gz KBLAIBFUNMACQF-GOSISDBHSA-N 2 1 343.515 3.650 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000535806996 1023660256 /nfs/dbraw/zinc/66/02/56/1023660256.db2.gz PZYRZZQBRJCEFX-PCCBWWKXSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776725 1033163189 /nfs/dbraw/zinc/16/31/89/1033163189.db2.gz VJUGNNUTCBIVFF-GJHJYOIJSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776725 1033163203 /nfs/dbraw/zinc/16/32/03/1033163203.db2.gz VJUGNNUTCBIVFF-GJHJYOIJSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2cccs2)cc1 ZINC000151357667 1024104511 /nfs/dbraw/zinc/10/45/11/1024104511.db2.gz GZRZECYBMDBDKA-INIZCTEOSA-N 2 1 344.524 3.913 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000277230622 1024270681 /nfs/dbraw/zinc/27/06/81/1024270681.db2.gz YRDMJYJEHGBMCU-NSHGMRRFSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1ncc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC001168004931 1024273225 /nfs/dbraw/zinc/27/32/25/1024273225.db2.gz CANUIBPODVDSHN-HUUCEWRRSA-N 2 1 329.513 3.983 20 0 EHADMP Brc1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000582014199 1024366339 /nfs/dbraw/zinc/36/63/39/1024366339.db2.gz KGSSJVZNWCBVRU-LBPRGKRZSA-N 2 1 349.272 3.769 20 0 EHADMP Brc1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000582014199 1024366355 /nfs/dbraw/zinc/36/63/55/1024366355.db2.gz KGSSJVZNWCBVRU-LBPRGKRZSA-N 2 1 349.272 3.769 20 0 EHADMP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000346139451 1024439487 /nfs/dbraw/zinc/43/94/87/1024439487.db2.gz VKOPGIVMIJFFEX-CQSZACIVSA-N 2 1 341.484 3.842 20 0 EHADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000346139451 1024439492 /nfs/dbraw/zinc/43/94/92/1024439492.db2.gz VKOPGIVMIJFFEX-CQSZACIVSA-N 2 1 341.484 3.842 20 0 EHADMP CCS[C@@H]1CCCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346172551 1024487005 /nfs/dbraw/zinc/48/70/05/1024487005.db2.gz JMGCDKJZECFNAB-GOSISDBHSA-N 2 1 330.501 3.683 20 0 EHADMP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346196451 1024518002 /nfs/dbraw/zinc/51/80/02/1024518002.db2.gz ZJMHVYKVKYCJQX-ROUUACIJSA-N 2 1 330.501 3.682 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000137203272 1024554835 /nfs/dbraw/zinc/55/48/35/1024554835.db2.gz IARWMGHYGCLSHU-NSHDSACASA-N 2 1 331.685 3.663 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657284994 1024561055 /nfs/dbraw/zinc/56/10/55/1024561055.db2.gz URTKHZRJZNJPLE-UHFFFAOYSA-N 2 1 331.435 3.835 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000114478187 1024589151 /nfs/dbraw/zinc/58/91/51/1024589151.db2.gz WTRVCBBMCSPFJY-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000114478187 1024589161 /nfs/dbraw/zinc/58/91/61/1024589161.db2.gz WTRVCBBMCSPFJY-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP COc1cccc(-c2csc(CNC[C@H]3CCCC[N@@H+](C)C3)n2)c1 ZINC000895587071 1024632199 /nfs/dbraw/zinc/63/21/99/1024632199.db2.gz GYGZQZZOILAGMC-OAHLLOKOSA-N 2 1 345.512 3.640 20 0 EHADMP COC[C@H]1C[C@@H]([NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000895623965 1024669653 /nfs/dbraw/zinc/66/96/53/1024669653.db2.gz ZQDMZZWRDCPTCV-RZUBCFFCSA-N 2 1 344.543 3.939 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000346388889 1024678251 /nfs/dbraw/zinc/67/82/51/1024678251.db2.gz MZBNJNCJUWROEP-LJQANCHMSA-N 2 1 332.451 3.874 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000281205618 1024747716 /nfs/dbraw/zinc/74/77/16/1024747716.db2.gz TYGZAKKQDASJIM-MRXNPFEDSA-N 2 1 340.433 3.858 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@@H+]1C ZINC000157181832 1024787188 /nfs/dbraw/zinc/78/71/88/1024787188.db2.gz SIMUFWMKXMGITR-HKUYNNGSSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@H+]1C ZINC000157181832 1024787197 /nfs/dbraw/zinc/78/71/97/1024787197.db2.gz SIMUFWMKXMGITR-HKUYNNGSSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181832 1024787208 /nfs/dbraw/zinc/78/72/08/1024787208.db2.gz SIMUFWMKXMGITR-HKUYNNGSSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181832 1024787218 /nfs/dbraw/zinc/78/72/18/1024787218.db2.gz SIMUFWMKXMGITR-HKUYNNGSSA-N 2 1 348.494 3.916 20 0 EHADMP CC(C)(C)n1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435378359 1024858774 /nfs/dbraw/zinc/85/87/74/1024858774.db2.gz DJOQEDGHEWZJPQ-CQSZACIVSA-N 2 1 346.906 3.739 20 0 EHADMP CC(C)(C)n1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435378359 1024858790 /nfs/dbraw/zinc/85/87/90/1024858790.db2.gz DJOQEDGHEWZJPQ-CQSZACIVSA-N 2 1 346.906 3.739 20 0 EHADMP C[N@@H+](Cc1cccc(OCc2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000435382956 1024865236 /nfs/dbraw/zinc/86/52/36/1024865236.db2.gz FYWBEECJYHGOKR-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP CC(C)C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000474389238 1024868330 /nfs/dbraw/zinc/86/83/30/1024868330.db2.gz NBSJIOXEXUATFX-CIAFKFPVSA-N 2 1 344.543 4.000 20 0 EHADMP CC[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435392812 1024878240 /nfs/dbraw/zinc/87/82/40/1024878240.db2.gz XXKVCWODDMHWIQ-IBGZPJMESA-N 2 1 327.447 3.852 20 0 EHADMP CC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435392812 1024878252 /nfs/dbraw/zinc/87/82/52/1024878252.db2.gz XXKVCWODDMHWIQ-IBGZPJMESA-N 2 1 327.447 3.852 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474423586 1024938560 /nfs/dbraw/zinc/93/85/60/1024938560.db2.gz CLYRANYFJHJAIY-HNNXBMFYSA-N 2 1 342.314 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000511051163 1024967509 /nfs/dbraw/zinc/96/75/09/1024967509.db2.gz UTURBTFEQZUMQB-QMMLZNLJSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000511051163 1024967517 /nfs/dbraw/zinc/96/75/17/1024967517.db2.gz UTURBTFEQZUMQB-QMMLZNLJSA-N 2 1 330.516 3.570 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000892145554 1024998219 /nfs/dbraw/zinc/99/82/19/1024998219.db2.gz JWUHVVGHLYQBAE-CYBMUJFWSA-N 2 1 347.450 3.683 20 0 EHADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256618 1025002604 /nfs/dbraw/zinc/00/26/04/1025002604.db2.gz HEVVUAUFBLEUOT-PWIZWCRZSA-N 2 1 344.524 3.813 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000281465865 1025073271 /nfs/dbraw/zinc/07/32/71/1025073271.db2.gz FADUFXUJSZQHDQ-DZGCQCFKSA-N 2 1 337.389 3.685 20 0 EHADMP Cc1ncsc1CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697500 1025087206 /nfs/dbraw/zinc/08/72/06/1025087206.db2.gz YHCFRCSTLQYZFF-KRWDZBQOSA-N 2 1 347.553 3.700 20 0 EHADMP CC(C)(C)OC1CC([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000450880831 1025211160 /nfs/dbraw/zinc/21/11/60/1025211160.db2.gz QMCUTQVCPICLFM-UHFFFAOYSA-N 2 1 331.504 3.745 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000474614296 1025220386 /nfs/dbraw/zinc/22/03/86/1025220386.db2.gz HCXHHZNHFZMVGD-MLHJIOFPSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000474614296 1025220397 /nfs/dbraw/zinc/22/03/97/1025220397.db2.gz HCXHHZNHFZMVGD-MLHJIOFPSA-N 2 1 348.531 3.906 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276376 1025223658 /nfs/dbraw/zinc/22/36/58/1025223658.db2.gz BCSXQQFSLSXMHN-HBMCJLEFSA-N 2 1 341.543 3.538 20 0 EHADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519703858 1025290768 /nfs/dbraw/zinc/29/07/68/1025290768.db2.gz LNFXRNQESHMTAK-NHCUHLMSSA-N 2 1 342.527 3.526 20 0 EHADMP COC1(C)CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168041835 1025489701 /nfs/dbraw/zinc/48/97/01/1025489701.db2.gz WIDUGESAVKRMMS-OPVJXMOQSA-N 2 1 330.516 3.929 20 0 EHADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C(C)(C)C ZINC000436247550 1025493731 /nfs/dbraw/zinc/49/37/31/1025493731.db2.gz PENBRFQFUIYGJE-LJQANCHMSA-N 2 1 346.494 3.527 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530230594 1025503420 /nfs/dbraw/zinc/50/34/20/1025503420.db2.gz HXJLTVJBWPAMFU-JSRJAPPDSA-N 2 1 344.543 3.785 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1Oc1cccnc1 ZINC000442929062 1025591711 /nfs/dbraw/zinc/59/17/11/1025591711.db2.gz QSYPBMBSUXTNGC-KRWDZBQOSA-N 2 1 325.456 3.743 20 0 EHADMP C[C@@H]1CC(N[C@H]2CCC[N@@H+](C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014912 1025636100 /nfs/dbraw/zinc/63/61/00/1025636100.db2.gz NHHLZVKFSRCOBF-GGPKGHCWSA-N 2 1 329.532 3.502 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000281889804 1025637693 /nfs/dbraw/zinc/63/76/93/1025637693.db2.gz AUGPJRYROSRNJJ-IBGZPJMESA-N 2 1 339.483 3.745 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000443075920 1025704154 /nfs/dbraw/zinc/70/41/54/1025704154.db2.gz RVWSRNLVHDBHQW-CYBMUJFWSA-N 2 1 348.288 3.558 20 0 EHADMP C[C@H]1CC([N@H+](C)[C@H]2CC[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044073 1025787659 /nfs/dbraw/zinc/78/76/59/1025787659.db2.gz FEWAXGRUGGGWKX-VKRLORBYSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@H]1CC([N@@H+](C)[C@H]2CC[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044073 1025787679 /nfs/dbraw/zinc/78/76/79/1025787679.db2.gz FEWAXGRUGGGWKX-VKRLORBYSA-N 2 1 330.516 3.663 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000671098176 1025903388 /nfs/dbraw/zinc/90/33/88/1025903388.db2.gz JQKOKSYDXUWARD-UHFFFAOYSA-N 2 1 330.516 3.836 20 0 EHADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)cc2)cc1 ZINC000544370951 1026054211 /nfs/dbraw/zinc/05/42/11/1026054211.db2.gz NRBBMLZGPRABBP-GOSISDBHSA-N 2 1 340.467 3.871 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cc2)cc1 ZINC000544370951 1026054228 /nfs/dbraw/zinc/05/42/28/1026054228.db2.gz NRBBMLZGPRABBP-GOSISDBHSA-N 2 1 340.467 3.871 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000474054077 1026096023 /nfs/dbraw/zinc/09/60/23/1026096023.db2.gz PYLKKRYECPYDER-FDKIHUSFSA-N 2 1 336.564 3.929 20 0 EHADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1nc(-c2ccccc2)cs1 ZINC000152469003 1026171612 /nfs/dbraw/zinc/17/16/12/1026171612.db2.gz QOHZWJBZUQPEIH-GJZGRUSLSA-N 2 1 327.497 3.945 20 0 EHADMP C[NH2+]CCN([C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001168057898 1026314330 /nfs/dbraw/zinc/31/43/30/1026314330.db2.gz OHSSVZMFXCULJU-OPVJXMOQSA-N 2 1 331.548 3.748 20 0 EHADMP CO[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168059493 1026374140 /nfs/dbraw/zinc/37/41/40/1026374140.db2.gz GABUPBXRZZUARZ-DBXWQHBBSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168059493 1026374154 /nfs/dbraw/zinc/37/41/54/1026374154.db2.gz GABUPBXRZZUARZ-DBXWQHBBSA-N 2 1 330.516 3.929 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000192917397 1026640284 /nfs/dbraw/zinc/64/02/84/1026640284.db2.gz OTWCPNMKPMTDOJ-SFHVURJKSA-N 2 1 344.886 3.960 20 0 EHADMP Cn1cnc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000342747151 1026943510 /nfs/dbraw/zinc/94/35/10/1026943510.db2.gz USDNFOWTWLLGEN-LJQANCHMSA-N 2 1 340.515 3.661 20 0 EHADMP Cn1cnc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000342747151 1026943520 /nfs/dbraw/zinc/94/35/20/1026943520.db2.gz USDNFOWTWLLGEN-LJQANCHMSA-N 2 1 340.515 3.661 20 0 EHADMP Cc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c2ccccc2[nH+]1 ZINC000301869470 1026973218 /nfs/dbraw/zinc/97/32/18/1026973218.db2.gz JLIIXPBVYODHRY-OALUTQOASA-N 2 1 347.462 3.591 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657528641 1026988975 /nfs/dbraw/zinc/98/89/75/1026988975.db2.gz HBVHAXQMCBBNJA-IOJLRTSASA-N 2 1 328.500 3.588 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657528641 1026988983 /nfs/dbraw/zinc/98/89/83/1026988983.db2.gz HBVHAXQMCBBNJA-IOJLRTSASA-N 2 1 328.500 3.588 20 0 EHADMP C[NH+](C)[C@H](CNc1cc[nH+]c2ccc(Br)cc12)C1CC1 ZINC000302002690 1027020890 /nfs/dbraw/zinc/02/08/90/1027020890.db2.gz XNBQZBLWZXZCGE-MRXNPFEDSA-N 2 1 334.261 3.749 20 0 EHADMP CCc1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc(C)[nH+]1 ZINC000302052684 1027036388 /nfs/dbraw/zinc/03/63/88/1027036388.db2.gz OUBGSGPIHSRLQB-UHFFFAOYSA-N 2 1 330.501 3.733 20 0 EHADMP Cc1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076109982 1027242175 /nfs/dbraw/zinc/24/21/75/1027242175.db2.gz RSNDNCTYPSJQGV-SFHVURJKSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076109982 1027242188 /nfs/dbraw/zinc/24/21/88/1027242188.db2.gz RSNDNCTYPSJQGV-SFHVURJKSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000076109982 1027242208 /nfs/dbraw/zinc/24/22/08/1027242208.db2.gz RSNDNCTYPSJQGV-SFHVURJKSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000076109982 1027242223 /nfs/dbraw/zinc/24/22/23/1027242223.db2.gz RSNDNCTYPSJQGV-SFHVURJKSA-N 2 1 329.513 3.714 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000513713297 1027252350 /nfs/dbraw/zinc/25/23/50/1027252350.db2.gz NGCDJNMBBKILGB-IKGGRYGDSA-N 2 1 342.405 3.547 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000531725428 1027274449 /nfs/dbraw/zinc/27/44/49/1027274449.db2.gz VMABSVZVCFDYDQ-JENIJYKNSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000531725428 1027274462 /nfs/dbraw/zinc/27/44/62/1027274462.db2.gz VMABSVZVCFDYDQ-JENIJYKNSA-N 2 1 336.545 3.926 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC001307527856 1027320174 /nfs/dbraw/zinc/32/01/74/1027320174.db2.gz AFMJCIRGENUNBA-OAHLLOKOSA-N 2 1 336.442 3.889 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453099519 1027323021 /nfs/dbraw/zinc/32/30/21/1027323021.db2.gz WFZFYQFLZXHECD-OALUTQOASA-N 2 1 336.907 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1sccc1Br ZINC000251799904 1027323553 /nfs/dbraw/zinc/32/35/53/1027323553.db2.gz YABGRGCEBDBDEN-SRVKXCTJSA-N 2 1 329.307 3.788 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H](C)CCCc3cccnc3)CC2)[nH+]c1 ZINC000453115433 1027383227 /nfs/dbraw/zinc/38/32/27/1027383227.db2.gz GNWAQTLYVIVNCC-GOSISDBHSA-N 2 1 338.499 3.755 20 0 EHADMP FC(F)(F)CCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420304302 1027452767 /nfs/dbraw/zinc/45/27/67/1027452767.db2.gz DZLGZMJNKQBOQG-INIZCTEOSA-N 2 1 329.410 3.758 20 0 EHADMP CCC[N@H+](Cc1c2ccccc2oc1C(=O)OCC)C1CC[NH2+]CC1 ZINC000420314538 1027460553 /nfs/dbraw/zinc/46/05/53/1027460553.db2.gz KHUVHNCZIKIHRS-UHFFFAOYSA-N 2 1 344.455 3.574 20 0 EHADMP CCC[N@@H+](Cc1c2ccccc2oc1C(=O)OCC)C1CC[NH2+]CC1 ZINC000420314538 1027460558 /nfs/dbraw/zinc/46/05/58/1027460558.db2.gz KHUVHNCZIKIHRS-UHFFFAOYSA-N 2 1 344.455 3.574 20 0 EHADMP c1cc(C[N@H+](CC[C@@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420320735 1027466308 /nfs/dbraw/zinc/46/63/08/1027466308.db2.gz YYPSITKKSWDUEF-ROUUACIJSA-N 2 1 334.529 3.651 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cc1 ZINC000420319401 1027466466 /nfs/dbraw/zinc/46/64/66/1027466466.db2.gz PLWXYERPTFOQBW-UKRRQHHQSA-N 2 1 334.410 3.709 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cc1 ZINC000420319401 1027466479 /nfs/dbraw/zinc/46/64/79/1027466479.db2.gz PLWXYERPTFOQBW-UKRRQHHQSA-N 2 1 334.410 3.709 20 0 EHADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420328507 1027480091 /nfs/dbraw/zinc/48/00/91/1027480091.db2.gz ZPAVHFDVUZJXMZ-CQSZACIVSA-N 2 1 345.314 3.568 20 0 EHADMP [NH3+]C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000420380174 1027502339 /nfs/dbraw/zinc/50/23/39/1027502339.db2.gz YDSIENVOPDMXBM-HNNXBMFYSA-N 2 1 330.394 3.581 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420400374 1027519730 /nfs/dbraw/zinc/51/97/30/1027519730.db2.gz OUBURVDFFUPRKX-HKUYNNGSSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420400374 1027519739 /nfs/dbraw/zinc/51/97/39/1027519739.db2.gz OUBURVDFFUPRKX-HKUYNNGSSA-N 2 1 325.456 3.614 20 0 EHADMP Clc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420403419 1027523774 /nfs/dbraw/zinc/52/37/74/1027523774.db2.gz RJPMZOJKVQWMIO-DNVCBOLYSA-N 2 1 345.874 3.959 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420403419 1027523788 /nfs/dbraw/zinc/52/37/88/1027523788.db2.gz RJPMZOJKVQWMIO-DNVCBOLYSA-N 2 1 345.874 3.959 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1 ZINC000420412734 1027528429 /nfs/dbraw/zinc/52/84/29/1027528429.db2.gz SPCVUQRXGFVCKX-GXTWGEPZSA-N 2 1 336.838 3.881 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656445 1027720257 /nfs/dbraw/zinc/72/02/57/1027720257.db2.gz FTOOBZIHJKWFRG-DZGCQCFKSA-N 2 1 332.394 3.926 20 0 EHADMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000414657561 1027725877 /nfs/dbraw/zinc/72/58/77/1027725877.db2.gz KMUUEAMPJSYWDD-ZFYGIXQLSA-N 2 1 336.479 3.948 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422633009 1027829968 /nfs/dbraw/zinc/82/99/68/1027829968.db2.gz HRPGYHAMUBMULJ-QGZVFWFLSA-N 2 1 349.478 3.828 20 0 EHADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897750 1027837051 /nfs/dbraw/zinc/83/70/51/1027837051.db2.gz DDXGEZOKPLIMNC-KRWDZBQOSA-N 2 1 342.458 3.851 20 0 EHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897750 1027837058 /nfs/dbraw/zinc/83/70/58/1027837058.db2.gz DDXGEZOKPLIMNC-KRWDZBQOSA-N 2 1 342.458 3.851 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414680091 1027844719 /nfs/dbraw/zinc/84/47/19/1027844719.db2.gz XZUPVNCPIGVCNS-QGZVFWFLSA-N 2 1 344.886 3.960 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414680091 1027844740 /nfs/dbraw/zinc/84/47/40/1027844740.db2.gz XZUPVNCPIGVCNS-QGZVFWFLSA-N 2 1 344.886 3.960 20 0 EHADMP CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422705960 1027865453 /nfs/dbraw/zinc/86/54/53/1027865453.db2.gz SKGMVKACMZIUDQ-NHCUHLMSSA-N 2 1 335.495 3.558 20 0 EHADMP C[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359900265 1027870000 /nfs/dbraw/zinc/87/00/00/1027870000.db2.gz PXYUGVQYYCMJQY-STZQEDGTSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422720212 1027887654 /nfs/dbraw/zinc/88/76/54/1027887654.db2.gz SFWGVUXAHNXZLE-YGRLFVJLSA-N 2 1 331.685 3.580 20 0 EHADMP FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC12CCC2 ZINC000582127028 1027889380 /nfs/dbraw/zinc/88/93/80/1027889380.db2.gz DIOSUGSNEKTBDE-QGZVFWFLSA-N 2 1 338.417 3.887 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686753 1027889798 /nfs/dbraw/zinc/88/97/98/1027889798.db2.gz DPNZXINOWOAPAD-FQEVSTJZSA-N 2 1 329.532 3.983 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686753 1027889823 /nfs/dbraw/zinc/88/98/23/1027889823.db2.gz DPNZXINOWOAPAD-FQEVSTJZSA-N 2 1 329.532 3.983 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686753 1027889842 /nfs/dbraw/zinc/88/98/42/1027889842.db2.gz DPNZXINOWOAPAD-FQEVSTJZSA-N 2 1 329.532 3.983 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1N1CCCCC1 ZINC000729686753 1027889862 /nfs/dbraw/zinc/88/98/62/1027889862.db2.gz DPNZXINOWOAPAD-FQEVSTJZSA-N 2 1 329.532 3.983 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422725132 1027890641 /nfs/dbraw/zinc/89/06/41/1027890641.db2.gz XNHHWYVDUNHWMF-JKIFEVAISA-N 2 1 345.453 3.804 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000339067857 1027894648 /nfs/dbraw/zinc/89/46/48/1027894648.db2.gz JVJUFSQHVDAAGZ-VXKWHMMOSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000339067857 1027894671 /nfs/dbraw/zinc/89/46/71/1027894671.db2.gz JVJUFSQHVDAAGZ-VXKWHMMOSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000339067857 1027894690 /nfs/dbraw/zinc/89/46/90/1027894690.db2.gz JVJUFSQHVDAAGZ-VXKWHMMOSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736319 1027903978 /nfs/dbraw/zinc/90/39/78/1027903978.db2.gz VXBORDVOVFSWCB-OJAHFUOMSA-N 2 1 329.532 3.626 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422747574 1027914037 /nfs/dbraw/zinc/91/40/37/1027914037.db2.gz QMJKJCRZBMSFAJ-YHJVDBJQSA-N 2 1 344.405 3.871 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000503593253 1027931548 /nfs/dbraw/zinc/93/15/48/1027931548.db2.gz VWPKJXXMZALKTP-CWJKEVGVSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422762496 1027941769 /nfs/dbraw/zinc/94/17/69/1027941769.db2.gz IFQWJRHZZCUPNR-OPYAIIAOSA-N 2 1 338.451 3.889 20 0 EHADMP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422789206 1027942013 /nfs/dbraw/zinc/94/20/13/1027942013.db2.gz BJULUFFGOPCPRB-RRFJBIMHSA-N 2 1 328.378 3.596 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422868046 1028002790 /nfs/dbraw/zinc/00/27/90/1028002790.db2.gz UEYOZHLWAYOWDN-XMSQKQJNSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422868046 1028002807 /nfs/dbraw/zinc/00/28/07/1028002807.db2.gz UEYOZHLWAYOWDN-XMSQKQJNSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422868046 1028002827 /nfs/dbraw/zinc/00/28/27/1028002827.db2.gz UEYOZHLWAYOWDN-XMSQKQJNSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000422868046 1028002845 /nfs/dbraw/zinc/00/28/45/1028002845.db2.gz UEYOZHLWAYOWDN-XMSQKQJNSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000422868046 1028002862 /nfs/dbraw/zinc/00/28/62/1028002862.db2.gz UEYOZHLWAYOWDN-XMSQKQJNSA-N 2 1 339.527 3.575 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422885384 1028020342 /nfs/dbraw/zinc/02/03/42/1028020342.db2.gz UPWNSIRVMVHQFK-MRTDBNBISA-N 2 1 341.543 3.537 20 0 EHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422886801 1028021794 /nfs/dbraw/zinc/02/17/94/1028021794.db2.gz XSUZQPYHXGGSEH-IRXDYDNUSA-N 2 1 336.357 3.862 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422886602 1028023508 /nfs/dbraw/zinc/02/35/08/1028023508.db2.gz XELPYGCOCGYTLW-QGLKVJOYSA-N 3 1 335.580 3.645 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])c[nH]c21 ZINC000422912203 1028043969 /nfs/dbraw/zinc/04/39/69/1028043969.db2.gz MOYHTASAOAQLJP-IIBYNOLFSA-N 2 1 335.495 3.821 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422940351 1028067706 /nfs/dbraw/zinc/06/77/06/1028067706.db2.gz NBDGDEODBBIZEO-VHSSKADRSA-N 2 1 326.440 3.889 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1)CC1CC1 ZINC000444620124 1028094944 /nfs/dbraw/zinc/09/49/44/1028094944.db2.gz RGICTVVKTJBVHZ-UHFFFAOYSA-N 3 1 335.580 3.696 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CCCN2CCCCC2)CC1)CC1CC1 ZINC000444620124 1028094957 /nfs/dbraw/zinc/09/49/57/1028094957.db2.gz RGICTVVKTJBVHZ-UHFFFAOYSA-N 2 1 335.580 3.696 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCCN2CCCCC2)CC1)CC1CC1 ZINC000444620124 1028094975 /nfs/dbraw/zinc/09/49/75/1028094975.db2.gz RGICTVVKTJBVHZ-UHFFFAOYSA-N 2 1 335.580 3.696 20 0 EHADMP CC[N@H+](CCC1CCN(CCC[NH+]2CCCCC2)CC1)CC1CC1 ZINC000444620124 1028094991 /nfs/dbraw/zinc/09/49/91/1028094991.db2.gz RGICTVVKTJBVHZ-UHFFFAOYSA-N 2 1 335.580 3.696 20 0 EHADMP CC[N@@H+](CCC1CCN(CCC[NH+]2CCCCC2)CC1)CC1CC1 ZINC000444620124 1028095010 /nfs/dbraw/zinc/09/50/10/1028095010.db2.gz RGICTVVKTJBVHZ-UHFFFAOYSA-N 2 1 335.580 3.696 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423064594 1028158854 /nfs/dbraw/zinc/15/88/54/1028158854.db2.gz RZEAHLDPMNMMJU-BHDDXSALSA-N 2 1 335.495 3.631 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)cc1F ZINC000423117935 1028188862 /nfs/dbraw/zinc/18/88/62/1028188862.db2.gz XWHZCGFIACKKQO-ZESCBINXSA-N 2 1 342.458 3.628 20 0 EHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146218 1028207270 /nfs/dbraw/zinc/20/72/70/1028207270.db2.gz OQAPGOWKSOKFSD-NMLBUPMWSA-N 2 1 347.572 3.522 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000414720212 1028212326 /nfs/dbraw/zinc/21/23/26/1028212326.db2.gz XPJSHTRNVHSHEA-INIZCTEOSA-N 2 1 325.294 3.722 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423181059 1028250238 /nfs/dbraw/zinc/25/02/38/1028250238.db2.gz CDDPTFPASMSHRX-CVEARBPZSA-N 2 1 331.891 3.997 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421322387 1028265306 /nfs/dbraw/zinc/26/53/06/1028265306.db2.gz DRIZREYWNYENGC-UHFFFAOYSA-N 2 1 326.488 3.707 20 0 EHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423198586 1028267995 /nfs/dbraw/zinc/26/79/95/1028267995.db2.gz GQHVGWNOVKMNFJ-MRXNPFEDSA-N 2 1 329.488 3.516 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423202097 1028269250 /nfs/dbraw/zinc/26/92/50/1028269250.db2.gz AMKOOLOUHJJSTI-MGPUTAFESA-N 2 1 328.431 3.513 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000423264516 1028302533 /nfs/dbraw/zinc/30/25/33/1028302533.db2.gz CCXZYGCCMFUOHB-MLGOLLRUSA-N 2 1 333.501 3.761 20 0 EHADMP C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284842 1028322334 /nfs/dbraw/zinc/32/23/34/1028322334.db2.gz XFNKMDRSJYECGS-VLIAUNLRSA-N 2 1 328.431 3.793 20 0 EHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284842 1028322354 /nfs/dbraw/zinc/32/23/54/1028322354.db2.gz XFNKMDRSJYECGS-VLIAUNLRSA-N 2 1 328.431 3.793 20 0 EHADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423304773 1028359403 /nfs/dbraw/zinc/35/94/03/1028359403.db2.gz ZKGJPYZETWJZAT-XRXFAXGQSA-N 2 1 329.532 3.537 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000121452968 1028362749 /nfs/dbraw/zinc/36/27/49/1028362749.db2.gz WOYQMQKRKPQNQA-RHSMWYFYSA-N 2 1 331.460 3.586 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423336114 1028371036 /nfs/dbraw/zinc/37/10/36/1028371036.db2.gz JHHNFGRMANLMSL-LEWJYISDSA-N 2 1 342.458 3.903 20 0 EHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000459379227 1028395937 /nfs/dbraw/zinc/39/59/37/1028395937.db2.gz PDIQOMGPBMAJNM-UHFFFAOYSA-N 2 1 332.517 3.547 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc2cc(Br)ccc2o1 ZINC000423408635 1028424484 /nfs/dbraw/zinc/42/44/84/1028424484.db2.gz XTXMCULJFOGNJG-COPLHBTASA-N 2 1 337.261 3.844 20 0 EHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423438715 1028444036 /nfs/dbraw/zinc/44/40/36/1028444036.db2.gz HDTNHBMCQNYXNB-MAGOMRGPSA-N 2 1 329.307 3.557 20 0 EHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1 ZINC000423499503 1028466608 /nfs/dbraw/zinc/46/66/08/1028466608.db2.gz BAUVUDPGTUQORY-CTWPCTMYSA-N 2 1 335.923 3.597 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cn1 ZINC000423483259 1028472686 /nfs/dbraw/zinc/47/26/86/1028472686.db2.gz YSIMPVPCRGKZJR-IPELMVKDSA-N 2 1 345.437 3.794 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCC(C)C ZINC000414748640 1028487729 /nfs/dbraw/zinc/48/77/29/1028487729.db2.gz IVPGBHCXECWEFY-GOSISDBHSA-N 2 1 334.504 3.694 20 0 EHADMP CCCc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520164 1028495594 /nfs/dbraw/zinc/49/55/94/1028495594.db2.gz QXIJJTTVSQWEBS-MDMXATFFSA-N 2 1 329.532 3.506 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423527885 1028497517 /nfs/dbraw/zinc/49/75/17/1028497517.db2.gz WGFGWMFJCNQDKJ-JXFKEZNVSA-N 2 1 326.440 3.508 20 0 EHADMP Cc1cc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000423554446 1028513899 /nfs/dbraw/zinc/51/38/99/1028513899.db2.gz HHHVDMGBUJUIQY-QGZVFWFLSA-N 2 1 341.499 3.541 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000236643765 1028559396 /nfs/dbraw/zinc/55/93/96/1028559396.db2.gz SFIIFHQLWKZVCX-UHFFFAOYSA-N 2 1 329.532 3.504 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cc(C)nc(C)c2)cc1)C(C)C ZINC000421581053 1028575801 /nfs/dbraw/zinc/57/58/01/1028575801.db2.gz XRIZYLXWWONQHM-UHFFFAOYSA-N 2 1 339.483 3.859 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237351285 1028646427 /nfs/dbraw/zinc/64/64/27/1028646427.db2.gz HLXRJVOOIPVQOO-UZLBHIALSA-N 2 1 337.467 3.700 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000421863352 1028857533 /nfs/dbraw/zinc/85/75/33/1028857533.db2.gz WKLMSEDJYMLSNM-SSSFQFABSA-N 2 1 328.500 3.729 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4C)CC3)C[C@H]2C1 ZINC000424265692 1028920144 /nfs/dbraw/zinc/92/01/44/1028920144.db2.gz KDPQEZHEZNGGQA-ZIEJVCCYSA-N 2 1 342.527 3.753 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC(C)C ZINC000414781594 1028941572 /nfs/dbraw/zinc/94/15/72/1028941572.db2.gz NFZCLIWDIDBTMB-RTBURBONSA-N 2 1 346.515 3.552 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[C@H]1c1cccs1 ZINC000248737819 1028945662 /nfs/dbraw/zinc/94/56/62/1028945662.db2.gz PBOUCEIYZPPEHL-VKSUQKOCSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[C@H]1c1cccs1 ZINC000248737819 1028945675 /nfs/dbraw/zinc/94/56/75/1028945675.db2.gz PBOUCEIYZPPEHL-VKSUQKOCSA-N 2 1 346.540 3.678 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000248827216 1028952631 /nfs/dbraw/zinc/95/26/31/1028952631.db2.gz GNZQKGLCOROMBY-IYWMVGAKSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248829494 1028955364 /nfs/dbraw/zinc/95/53/64/1028955364.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248829494 1028955380 /nfs/dbraw/zinc/95/53/80/1028955380.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248829494 1028955394 /nfs/dbraw/zinc/95/53/94/1028955394.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248829494 1028955407 /nfs/dbraw/zinc/95/54/07/1028955407.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248829494 1028955424 /nfs/dbraw/zinc/95/54/24/1028955424.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248829494 1028955438 /nfs/dbraw/zinc/95/54/38/1028955438.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248829494 1028955443 /nfs/dbraw/zinc/95/54/43/1028955443.db2.gz HBLDTYRIFIBLOA-IRFPFTSISA-N 2 1 341.543 3.776 20 0 EHADMP COc1ccc(OC)c(CN(CC[C@H]2CCC[N@H+]2C)C(C)(C)C)c1 ZINC000503062505 1029017052 /nfs/dbraw/zinc/01/70/52/1029017052.db2.gz JAZSWZOIMWPUTC-QGZVFWFLSA-N 2 1 334.504 3.789 20 0 EHADMP COc1ccc(OC)c(C[N@H+](CC[C@H]2CCC[NH+]2C)C(C)(C)C)c1 ZINC000503062505 1029017067 /nfs/dbraw/zinc/01/70/67/1029017067.db2.gz JAZSWZOIMWPUTC-QGZVFWFLSA-N 2 1 334.504 3.789 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](CC[C@H]2CCC[NH+]2C)C(C)(C)C)c1 ZINC000503062505 1029017078 /nfs/dbraw/zinc/01/70/78/1029017078.db2.gz JAZSWZOIMWPUTC-QGZVFWFLSA-N 2 1 334.504 3.789 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OCc1cccs1 ZINC000424366459 1029029490 /nfs/dbraw/zinc/02/94/90/1029029490.db2.gz IXRIJQDOJHMSPO-IAGOWNOFSA-N 2 1 346.496 3.695 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)s2)o1 ZINC000414787687 1029062154 /nfs/dbraw/zinc/06/21/54/1029062154.db2.gz VVYOTWTVPNDGPY-GJZGRUSLSA-N 2 1 331.485 3.533 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000271718498 1029138054 /nfs/dbraw/zinc/13/80/54/1029138054.db2.gz WNZNCTMSIGTNHA-UHFFFAOYSA-N 2 1 334.261 3.623 20 0 EHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000271885099 1029215600 /nfs/dbraw/zinc/21/56/00/1029215600.db2.gz QJCLVOPLFASCPR-CYBMUJFWSA-N 2 1 328.378 3.540 20 0 EHADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271887430 1029218153 /nfs/dbraw/zinc/21/81/53/1029218153.db2.gz RBHAMBYCDQOWFI-CQSZACIVSA-N 2 1 326.406 3.878 20 0 EHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428425632 1029267341 /nfs/dbraw/zinc/26/73/41/1029267341.db2.gz VCIVJPRQULAPGV-UHFFFAOYSA-N 2 1 348.535 3.510 20 0 EHADMP CCC[N@@H+](Cc1ccccc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114477281 1029271818 /nfs/dbraw/zinc/27/18/18/1029271818.db2.gz TUHGIXBWLDZNLC-UHFFFAOYSA-N 2 1 338.499 3.974 20 0 EHADMP CCC[N@H+](Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477281 1029271827 /nfs/dbraw/zinc/27/18/27/1029271827.db2.gz TUHGIXBWLDZNLC-UHFFFAOYSA-N 2 1 338.499 3.974 20 0 EHADMP CCC[N@@H+](Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477281 1029271838 /nfs/dbraw/zinc/27/18/38/1029271838.db2.gz TUHGIXBWLDZNLC-UHFFFAOYSA-N 2 1 338.499 3.974 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000162784489 1029438491 /nfs/dbraw/zinc/43/84/91/1029438491.db2.gz MYFGEJWMEYZFBU-OAHLLOKOSA-N 2 1 331.460 3.756 20 0 EHADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)C1CCCCC1 ZINC000414840614 1029527884 /nfs/dbraw/zinc/52/78/84/1029527884.db2.gz MOPUOYYDPDCQQS-NRFANRHFSA-N 2 1 339.483 3.658 20 0 EHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851034 1029550227 /nfs/dbraw/zinc/55/02/27/1029550227.db2.gz OIMQSXODAWWEJL-VQIMIIECSA-N 2 1 331.504 3.518 20 0 EHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000508560885 1029569112 /nfs/dbraw/zinc/56/91/12/1029569112.db2.gz NJXMUWGQAOBUDN-ZDUSSCGKSA-N 2 1 332.822 3.715 20 0 EHADMP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000508560885 1029569124 /nfs/dbraw/zinc/56/91/24/1029569124.db2.gz NJXMUWGQAOBUDN-ZDUSSCGKSA-N 2 1 332.822 3.715 20 0 EHADMP C[NH+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000508560885 1029569130 /nfs/dbraw/zinc/56/91/30/1029569130.db2.gz NJXMUWGQAOBUDN-ZDUSSCGKSA-N 2 1 332.822 3.715 20 0 EHADMP C[NH+](Cc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508560885 1029569146 /nfs/dbraw/zinc/56/91/46/1029569146.db2.gz NJXMUWGQAOBUDN-ZDUSSCGKSA-N 2 1 332.822 3.715 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272724601 1029580491 /nfs/dbraw/zinc/58/04/91/1029580491.db2.gz YIIQZTILJHCOMJ-QINHECLXSA-N 2 1 328.500 3.925 20 0 EHADMP CC[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nccn1C ZINC000246064277 1029621286 /nfs/dbraw/zinc/62/12/86/1029621286.db2.gz RTZBVXJFPJGJOB-HLLBOEOZSA-N 2 1 332.517 3.605 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1nccn1C ZINC000246064277 1029621289 /nfs/dbraw/zinc/62/12/89/1029621289.db2.gz RTZBVXJFPJGJOB-HLLBOEOZSA-N 2 1 332.517 3.605 20 0 EHADMP COCCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000282071661 1029728249 /nfs/dbraw/zinc/72/82/49/1029728249.db2.gz WWBWVUARYLWURY-KXBFYZLASA-N 2 1 333.451 3.724 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715649 1029775673 /nfs/dbraw/zinc/77/56/73/1029775673.db2.gz JIKKYLJQYVJFOO-XWSHUIEDSA-N 2 1 343.559 3.750 20 0 EHADMP COc1ccccc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718656 1029793081 /nfs/dbraw/zinc/79/30/81/1029793081.db2.gz OCBTWJDBDAKGPL-NQIIRXRSSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224328 1029938603 /nfs/dbraw/zinc/93/86/03/1029938603.db2.gz SFSUOWPSJBEDKG-SIKLNZKXSA-N 2 1 337.511 3.905 20 0 EHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000453264491 1029996423 /nfs/dbraw/zinc/99/64/23/1029996423.db2.gz VPKKGMTUMOBUJI-OTWHNJEPSA-N 2 1 332.536 3.546 20 0 EHADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCS1 ZINC000120433134 1029996711 /nfs/dbraw/zinc/99/67/11/1029996711.db2.gz JZUCLSDHGSRDRJ-IBGZPJMESA-N 2 1 336.520 3.708 20 0 EHADMP CC[C@H](C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000453267921 1030004893 /nfs/dbraw/zinc/00/48/93/1030004893.db2.gz NRHNDXGXEJKTMZ-JBINPLMMSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H]1CC[NH3+] ZINC000650711105 1030056922 /nfs/dbraw/zinc/05/69/22/1030056922.db2.gz ITIPXTRSMKOMBW-LAUBAEHRSA-N 2 1 339.483 3.610 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000481920952 1030122318 /nfs/dbraw/zinc/12/23/18/1030122318.db2.gz WGMCGJVUVNRFKC-XYPHTWIQSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000481920952 1030122328 /nfs/dbraw/zinc/12/23/28/1030122328.db2.gz WGMCGJVUVNRFKC-XYPHTWIQSA-N 2 1 326.406 3.853 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C[C@@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771272 1030154592 /nfs/dbraw/zinc/15/45/92/1030154592.db2.gz ADPDSXZOVGEWDD-RBUKOAKNSA-N 2 1 330.541 3.631 20 0 EHADMP CCn1ccnc1[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453367854 1030186067 /nfs/dbraw/zinc/18/60/67/1030186067.db2.gz UDOFYTMEVUEQKK-QHGAOEGBSA-N 2 1 340.515 3.997 20 0 EHADMP c1cc(CCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc2c1OCC2 ZINC000482068393 1030197334 /nfs/dbraw/zinc/19/73/34/1030197334.db2.gz LTIMOIWIGCVYAB-UHFFFAOYSA-N 2 1 328.500 3.504 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc(C3CCCC3)s2)C1 ZINC000650723975 1030216481 /nfs/dbraw/zinc/21/64/81/1030216481.db2.gz WKZGROXHIURDNA-BPQIPLTHSA-N 2 1 349.544 3.662 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1Br ZINC000453407555 1030218928 /nfs/dbraw/zinc/21/89/28/1030218928.db2.gz DMFDPFFALSDYTO-CYBMUJFWSA-N 2 1 325.294 3.974 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650724176 1030219142 /nfs/dbraw/zinc/21/91/42/1030219142.db2.gz ZLQJOTYAYGWSIU-HMXCVIKNSA-N 2 1 346.515 3.582 20 0 EHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000447529998 1030252290 /nfs/dbraw/zinc/25/22/90/1030252290.db2.gz LLUZWEJRPBEXRB-YUMYIRISSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000121706972 1030349034 /nfs/dbraw/zinc/34/90/34/1030349034.db2.gz QPXMGBGQUSGGFZ-MBOZVWFJSA-N 2 1 340.515 3.814 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000121706972 1030349041 /nfs/dbraw/zinc/34/90/41/1030349041.db2.gz QPXMGBGQUSGGFZ-MBOZVWFJSA-N 2 1 340.515 3.814 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)cc(Br)c1)C1CC1 ZINC000453597573 1030355921 /nfs/dbraw/zinc/35/59/21/1030355921.db2.gz OIUAJGAEEZBDOM-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482507853 1030487410 /nfs/dbraw/zinc/48/74/10/1030487410.db2.gz RIXRHFOJQHDXBQ-SIKLNZKXSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482507853 1030487419 /nfs/dbraw/zinc/48/74/19/1030487419.db2.gz RIXRHFOJQHDXBQ-SIKLNZKXSA-N 2 1 343.559 3.609 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4c[nH]nc43)C2)CC1 ZINC000092587706 1030487865 /nfs/dbraw/zinc/48/78/65/1030487865.db2.gz VVLJVNRLZZTXGB-QGZVFWFLSA-N 2 1 326.488 3.507 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000532246516 1030497351 /nfs/dbraw/zinc/49/73/51/1030497351.db2.gz NOGOROSUIRDNBY-PXNSSMCTSA-N 2 1 340.515 3.816 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000532246516 1030497365 /nfs/dbraw/zinc/49/73/65/1030497365.db2.gz NOGOROSUIRDNBY-PXNSSMCTSA-N 2 1 340.515 3.816 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092742367 1030510257 /nfs/dbraw/zinc/51/02/57/1030510257.db2.gz RWRZGJMNFUSDBG-AWEZNQCLSA-N 2 1 339.549 3.556 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000526991684 1030552900 /nfs/dbraw/zinc/55/29/00/1030552900.db2.gz HHTDWWXIFPMUDD-OYRHEFFESA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000526991684 1030552913 /nfs/dbraw/zinc/55/29/13/1030552913.db2.gz HHTDWWXIFPMUDD-OYRHEFFESA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000526991684 1030552920 /nfs/dbraw/zinc/55/29/20/1030552920.db2.gz HHTDWWXIFPMUDD-OYRHEFFESA-N 2 1 343.474 3.799 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000532348177 1030574902 /nfs/dbraw/zinc/57/49/02/1030574902.db2.gz NOBUSAGPJCQPFG-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639006 1030648401 /nfs/dbraw/zinc/64/84/01/1030648401.db2.gz CSMYPBBLQQORAX-CJNGLKHVSA-N 2 1 340.895 3.519 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639006 1030648410 /nfs/dbraw/zinc/64/84/10/1030648410.db2.gz CSMYPBBLQQORAX-CJNGLKHVSA-N 2 1 340.895 3.519 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639006 1030648420 /nfs/dbraw/zinc/64/84/20/1030648420.db2.gz CSMYPBBLQQORAX-CJNGLKHVSA-N 2 1 340.895 3.519 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC000093639006 1030648428 /nfs/dbraw/zinc/64/84/28/1030648428.db2.gz CSMYPBBLQQORAX-CJNGLKHVSA-N 2 1 340.895 3.519 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)C1 ZINC000151139700 1030699353 /nfs/dbraw/zinc/69/93/53/1030699353.db2.gz VLPJOHDRBPTVQX-IRXDYDNUSA-N 2 1 334.504 3.867 20 0 EHADMP C[N@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000360055259 1030723720 /nfs/dbraw/zinc/72/37/20/1030723720.db2.gz GVRDXZKAWACIEZ-NRFANRHFSA-N 2 1 327.516 3.560 20 0 EHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000360055259 1030723735 /nfs/dbraw/zinc/72/37/35/1030723735.db2.gz GVRDXZKAWACIEZ-NRFANRHFSA-N 2 1 327.516 3.560 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881976 1030758356 /nfs/dbraw/zinc/75/83/56/1030758356.db2.gz GAJBLMNFSLYYBN-NHCUHLMSSA-N 2 1 344.543 3.939 20 0 EHADMP C[N@H+]1CC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550997490 1030874342 /nfs/dbraw/zinc/87/43/42/1030874342.db2.gz YZQMXGJQEQFCIH-MJGOQNOKSA-N 2 1 329.532 3.721 20 0 EHADMP CN1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550997490 1030874361 /nfs/dbraw/zinc/87/43/61/1030874361.db2.gz YZQMXGJQEQFCIH-MJGOQNOKSA-N 2 1 329.532 3.721 20 0 EHADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551000733 1030888702 /nfs/dbraw/zinc/88/87/02/1030888702.db2.gz SCECLARWHZCCJL-NHCUHLMSSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006240 1030904062 /nfs/dbraw/zinc/90/40/62/1030904062.db2.gz UBHSLZRZFPQXMZ-GIVPXCGWSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006240 1030904079 /nfs/dbraw/zinc/90/40/79/1030904079.db2.gz UBHSLZRZFPQXMZ-GIVPXCGWSA-N 3 1 329.532 3.534 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1 ZINC000130934870 1030908863 /nfs/dbraw/zinc/90/88/63/1030908863.db2.gz XGXLQSCSFYRUSI-AWEZNQCLSA-N 2 1 349.438 3.522 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000157896936 1030932820 /nfs/dbraw/zinc/93/28/20/1030932820.db2.gz KLYBDKWBMUMVSJ-ROUUACIJSA-N 2 1 341.503 3.573 20 0 EHADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000347832110 1030947247 /nfs/dbraw/zinc/94/72/47/1030947247.db2.gz SMPQXPSZDVTNDQ-YADHBBJMSA-N 2 1 338.495 3.973 20 0 EHADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000347832110 1030947258 /nfs/dbraw/zinc/94/72/58/1030947258.db2.gz SMPQXPSZDVTNDQ-YADHBBJMSA-N 2 1 338.495 3.973 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)C1 ZINC000131180001 1030978008 /nfs/dbraw/zinc/97/80/08/1030978008.db2.gz RGOGHAVNPNWWCD-OSFYOIPJSA-N 2 1 344.543 3.872 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000537692874 1030991716 /nfs/dbraw/zinc/99/17/16/1030991716.db2.gz NJDFHXOHXCXETD-SESVDKBCSA-N 2 1 346.515 3.549 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000537692874 1030991728 /nfs/dbraw/zinc/99/17/28/1030991728.db2.gz NJDFHXOHXCXETD-SESVDKBCSA-N 2 1 346.515 3.549 20 0 EHADMP COC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000483296794 1031097908 /nfs/dbraw/zinc/09/79/08/1031097908.db2.gz NWPUZMYDPMXBJN-UHFFFAOYSA-N 2 1 342.527 3.934 20 0 EHADMP CCOC(=O)CCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476997747 1031155731 /nfs/dbraw/zinc/15/57/31/1031155731.db2.gz ROUZTUAZFCYHOH-SFHVURJKSA-N 2 1 338.536 3.696 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000551258913 1031164194 /nfs/dbraw/zinc/16/41/94/1031164194.db2.gz LUOHIUNWERXMOF-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000537698683 1031183960 /nfs/dbraw/zinc/18/39/60/1031183960.db2.gz WEDPADWDNIXKHT-AZUAARDMSA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698683 1031183968 /nfs/dbraw/zinc/18/39/68/1031183968.db2.gz WEDPADWDNIXKHT-AZUAARDMSA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698683 1031183969 /nfs/dbraw/zinc/18/39/69/1031183969.db2.gz WEDPADWDNIXKHT-AZUAARDMSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762608 1031185653 /nfs/dbraw/zinc/18/56/53/1031185653.db2.gz KUNRVOQYYCAAIK-LAUBAEHRSA-N 2 1 348.494 3.716 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762608 1031185661 /nfs/dbraw/zinc/18/56/61/1031185661.db2.gz KUNRVOQYYCAAIK-LAUBAEHRSA-N 2 1 348.494 3.716 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509667 1031197298 /nfs/dbraw/zinc/19/72/98/1031197298.db2.gz YEQRIIFAEHJAKY-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509667 1031197306 /nfs/dbraw/zinc/19/73/06/1031197306.db2.gz YEQRIIFAEHJAKY-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509667 1031197315 /nfs/dbraw/zinc/19/73/15/1031197315.db2.gz YEQRIIFAEHJAKY-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509667 1031197329 /nfs/dbraw/zinc/19/73/29/1031197329.db2.gz YEQRIIFAEHJAKY-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP CCC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OCC ZINC000527747609 1031201518 /nfs/dbraw/zinc/20/15/18/1031201518.db2.gz SSGLNLUKCGJPSJ-FQEVSTJZSA-N 2 1 336.495 3.627 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2O1 ZINC000537698921 1031224306 /nfs/dbraw/zinc/22/43/06/1031224306.db2.gz YXMNYABGDUPFOS-FXAWDEMLSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2O1 ZINC000537698921 1031224316 /nfs/dbraw/zinc/22/43/16/1031224316.db2.gz YXMNYABGDUPFOS-FXAWDEMLSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2O1 ZINC000537698921 1031224329 /nfs/dbraw/zinc/22/43/29/1031224329.db2.gz YXMNYABGDUPFOS-FXAWDEMLSA-N 2 1 340.511 3.849 20 0 EHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251934681 1031338751 /nfs/dbraw/zinc/33/87/51/1031338751.db2.gz ZPSJXBIFCPIVEL-DAXOMENPSA-N 2 1 325.294 3.959 20 0 EHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251934681 1031338737 /nfs/dbraw/zinc/33/87/37/1031338737.db2.gz ZPSJXBIFCPIVEL-DAXOMENPSA-N 2 1 325.294 3.959 20 0 EHADMP Cc1cccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)C)c1 ZINC000527860032 1031341336 /nfs/dbraw/zinc/34/13/36/1031341336.db2.gz UFJJJOZCOMOLNQ-FQEVSTJZSA-N 2 1 330.516 3.927 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000151330381 1031353727 /nfs/dbraw/zinc/35/37/27/1031353727.db2.gz GRBLICLRYSAJOJ-JRGCBEDISA-N 2 1 330.516 3.791 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993943 1031413674 /nfs/dbraw/zinc/41/36/74/1031413674.db2.gz VUQNASKSHOANCT-SFHVURJKSA-N 2 1 336.483 3.614 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570822 1031437729 /nfs/dbraw/zinc/43/77/29/1031437729.db2.gz PMMHXLUZPUNBOR-MJGOQNOKSA-N 2 1 344.499 3.523 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570822 1031437737 /nfs/dbraw/zinc/43/77/37/1031437737.db2.gz PMMHXLUZPUNBOR-MJGOQNOKSA-N 2 1 344.499 3.523 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528014416 1031568209 /nfs/dbraw/zinc/56/82/09/1031568209.db2.gz VGDSNHFEYTZCOF-UIFIKXQLSA-N 2 1 333.564 3.636 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640238 1031713273 /nfs/dbraw/zinc/71/32/73/1031713273.db2.gz VOWFPHHCWXJSTM-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640238 1031713285 /nfs/dbraw/zinc/71/32/85/1031713285.db2.gz VOWFPHHCWXJSTM-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640238 1031713290 /nfs/dbraw/zinc/71/32/90/1031713290.db2.gz VOWFPHHCWXJSTM-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000178640238 1031713303 /nfs/dbraw/zinc/71/33/03/1031713303.db2.gz VOWFPHHCWXJSTM-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000178697898 1031714519 /nfs/dbraw/zinc/71/45/19/1031714519.db2.gz LVQVWMGDZDNTBK-CXAGYDPISA-N 2 1 333.863 3.985 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(C)c1OCC(F)(F)F ZINC000178960953 1031723238 /nfs/dbraw/zinc/72/32/38/1031723238.db2.gz DISVSLZWJRTVGH-UHFFFAOYSA-N 2 1 344.421 3.676 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537943705 1032028951 /nfs/dbraw/zinc/02/89/51/1032028951.db2.gz XQSKKEYBCWLHDC-HOJAQTOUSA-N 2 1 332.532 3.530 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138317 1032050512 /nfs/dbraw/zinc/05/05/12/1032050512.db2.gz NZQICJLRRKOLQI-AVRDEDQJSA-N 2 1 336.479 3.794 20 0 EHADMP C[C@@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(C)(C)C ZINC000685442005 1033333193 /nfs/dbraw/zinc/33/31/93/1033333193.db2.gz XGOQTXDZMJCZPF-PZJWPPBQSA-N 2 1 343.559 3.561 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC34CCCC4)CC2)cc1 ZINC000898110529 1033334194 /nfs/dbraw/zinc/33/41/94/1033334194.db2.gz FRKUYJUDXSTNGJ-FQEVSTJZSA-N 2 1 346.490 3.524 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458059 1033346620 /nfs/dbraw/zinc/34/66/20/1033346620.db2.gz ZPPDTLGCDNMYGF-IBGZPJMESA-N 2 1 349.950 3.557 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000685463176 1033358231 /nfs/dbraw/zinc/35/82/31/1033358231.db2.gz XFESEOKVDYDGLX-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576787 1033448138 /nfs/dbraw/zinc/44/81/38/1033448138.db2.gz VNUQZPKLXOAXHG-MAUKXSAKSA-N 2 1 330.422 3.823 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576787 1033448157 /nfs/dbraw/zinc/44/81/57/1033448157.db2.gz VNUQZPKLXOAXHG-MAUKXSAKSA-N 2 1 330.422 3.823 20 0 EHADMP COC1([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657930638 1033672966 /nfs/dbraw/zinc/67/29/66/1033672966.db2.gz CQFBKJOIZJVINE-BJLQDIEVSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657939119 1033701004 /nfs/dbraw/zinc/70/10/04/1033701004.db2.gz USROMWZXYNIOGF-KRWDZBQOSA-N 2 1 337.305 3.622 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000595331761 1033731536 /nfs/dbraw/zinc/73/15/36/1033731536.db2.gz DAJAHIXDECSRAV-NRFANRHFSA-N 2 1 343.559 3.584 20 0 EHADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000574956608 1033741018 /nfs/dbraw/zinc/74/10/18/1033741018.db2.gz UKVHNKGTPHNBCO-QZTJIDSGSA-N 2 1 332.536 3.691 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)[C@H]1c1cccs1 ZINC000550666164 1033836929 /nfs/dbraw/zinc/83/69/29/1033836929.db2.gz WZVUNAQQVPDYHX-HLIPFELVSA-N 2 1 342.508 3.724 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)[C@H]1c1cccs1 ZINC000550666164 1033836940 /nfs/dbraw/zinc/83/69/40/1033836940.db2.gz WZVUNAQQVPDYHX-HLIPFELVSA-N 2 1 342.508 3.724 20 0 EHADMP Clc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655771415 1033838833 /nfs/dbraw/zinc/83/88/33/1033838833.db2.gz KAPRXDYAOBIDKO-SZMVWBNQSA-N 2 1 348.918 3.819 20 0 EHADMP COC1CC(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000658058912 1033870810 /nfs/dbraw/zinc/87/08/10/1033870810.db2.gz DXEPMYXMHLTEHF-UHFFFAOYSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000575107206 1033878786 /nfs/dbraw/zinc/87/87/86/1033878786.db2.gz NLUXWOZDYCWMMG-ZIAGYGMSSA-N 2 1 340.309 3.615 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000575107206 1033878804 /nfs/dbraw/zinc/87/88/04/1033878804.db2.gz NLUXWOZDYCWMMG-ZIAGYGMSSA-N 2 1 340.309 3.615 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658138221 1034002383 /nfs/dbraw/zinc/00/23/83/1034002383.db2.gz IZVUGFWFPRPQMJ-PGRDOPGGSA-N 2 1 338.495 3.721 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658140625 1034004903 /nfs/dbraw/zinc/00/49/03/1034004903.db2.gz VOKKLYINXXYCDO-MOPGFXCFSA-N 2 1 330.497 3.556 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000658265022 1034129324 /nfs/dbraw/zinc/12/93/24/1034129324.db2.gz VQUIMSIGIDFMLW-OYNPSCLESA-N 2 1 330.516 3.659 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC1 ZINC001168330355 1034216960 /nfs/dbraw/zinc/21/69/60/1034216960.db2.gz PQSDAXXXDLOVQQ-BPZDKFOGSA-N 2 1 330.491 3.978 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181903 1034410758 /nfs/dbraw/zinc/41/07/58/1034410758.db2.gz JXDMBEGIRDBLNO-RTWAWAEBSA-N 2 1 337.467 3.570 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181903 1034410768 /nfs/dbraw/zinc/41/07/68/1034410768.db2.gz JXDMBEGIRDBLNO-RTWAWAEBSA-N 2 1 337.467 3.570 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247662 1034478721 /nfs/dbraw/zinc/47/87/21/1034478721.db2.gz PNBYQYKITLIGIO-BOUXLOLZSA-N 2 1 327.472 3.648 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247662 1034478728 /nfs/dbraw/zinc/47/87/28/1034478728.db2.gz PNBYQYKITLIGIO-BOUXLOLZSA-N 2 1 327.472 3.648 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340356111 1034487582 /nfs/dbraw/zinc/48/75/82/1034487582.db2.gz XZZVKYFOBSAHDJ-FHLIZLRMSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340356111 1034487589 /nfs/dbraw/zinc/48/75/89/1034487589.db2.gz XZZVKYFOBSAHDJ-FHLIZLRMSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309516 1034488577 /nfs/dbraw/zinc/48/85/77/1034488577.db2.gz OVPXMYSRBMTNOM-MDASCCDHSA-N 2 1 327.472 3.820 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309516 1034488592 /nfs/dbraw/zinc/48/85/92/1034488592.db2.gz OVPXMYSRBMTNOM-MDASCCDHSA-N 2 1 327.472 3.820 20 0 EHADMP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000604756874 1034501675 /nfs/dbraw/zinc/50/16/75/1034501675.db2.gz NRTZLCVPXUGWGV-AWEZNQCLSA-N 2 1 348.288 3.964 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C(C3CCC3)C3CCC3)C2)cc1 ZINC000390559288 1034767789 /nfs/dbraw/zinc/76/77/89/1034767789.db2.gz AGBVVCDLEWSCKH-OAQYLSRUSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C(C3CCC3)C3CCC3)C2)cc1 ZINC000390559288 1034767797 /nfs/dbraw/zinc/76/77/97/1034767797.db2.gz AGBVVCDLEWSCKH-OAQYLSRUSA-N 2 1 342.527 3.836 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000414084396 1035463981 /nfs/dbraw/zinc/46/39/81/1035463981.db2.gz XCSALCGASVAVBO-KRWDZBQOSA-N 2 1 341.499 3.651 20 0 EHADMP CCC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccnc1 ZINC000185654664 1035507161 /nfs/dbraw/zinc/50/71/61/1035507161.db2.gz GQPMIMNYNXFKCX-IBGZPJMESA-N 2 1 339.487 3.588 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccsc2S1 ZINC000305119485 1035681288 /nfs/dbraw/zinc/68/12/88/1035681288.db2.gz JCLDDUGCWBXFBA-LZWOXQAQSA-N 2 1 340.558 3.500 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(CCOc2ccc(Cl)cc2Cl)C1 ZINC000173881279 1035692429 /nfs/dbraw/zinc/69/24/29/1035692429.db2.gz QUTPUOGODVYXCR-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282421817 1035783707 /nfs/dbraw/zinc/78/37/07/1035783707.db2.gz GSMMTTMCHRCJDB-LJQANCHMSA-N 2 1 343.540 3.884 20 0 EHADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282421817 1035783722 /nfs/dbraw/zinc/78/37/22/1035783722.db2.gz GSMMTTMCHRCJDB-LJQANCHMSA-N 2 1 343.540 3.884 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000414186899 1035968633 /nfs/dbraw/zinc/96/86/33/1035968633.db2.gz PQLBSCMVKCALEP-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000535083232 1035974989 /nfs/dbraw/zinc/97/49/89/1035974989.db2.gz PBKONYPKEWQRPZ-UHFFFAOYSA-N 2 1 340.515 3.937 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC[C@H]3CCOC3)CC23CC3)cc1 ZINC000572157460 1035990212 /nfs/dbraw/zinc/99/02/12/1035990212.db2.gz WTOPCWHEGLGOFX-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC[C@H]3CCOC3)CC23CC3)cc1 ZINC000572157460 1035990231 /nfs/dbraw/zinc/99/02/31/1035990231.db2.gz WTOPCWHEGLGOFX-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000414197540 1036007801 /nfs/dbraw/zinc/00/78/01/1036007801.db2.gz WPAIDVUKRLDJCR-OLZOCXBDSA-N 2 1 330.394 3.810 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000414216731 1036112182 /nfs/dbraw/zinc/11/21/82/1036112182.db2.gz ADPRKEDLNLIORA-YADHBBJMSA-N 2 1 336.479 3.553 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nccn3C3CC3)cc2)C1 ZINC000892573745 1036210497 /nfs/dbraw/zinc/21/04/97/1036210497.db2.gz FFIBDCMETCXZOH-KRWDZBQOSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nccn3C3CC3)cc2)C1 ZINC000892573745 1036210517 /nfs/dbraw/zinc/21/05/17/1036210517.db2.gz FFIBDCMETCXZOH-KRWDZBQOSA-N 2 1 338.499 3.740 20 0 EHADMP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000190760817 1036291014 /nfs/dbraw/zinc/29/10/14/1036291014.db2.gz LLDBIDYJNDQEEV-UHFFFAOYSA-N 2 1 340.515 3.668 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192976406 1036569027 /nfs/dbraw/zinc/56/90/27/1036569027.db2.gz KCCXVTJNPZZUTQ-MGNMYUMUSA-N 2 1 334.529 3.638 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168393182 1036584394 /nfs/dbraw/zinc/58/43/94/1036584394.db2.gz YXKROMLEJBCFFK-FQEVSTJZSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1O[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168393182 1036584406 /nfs/dbraw/zinc/58/44/06/1036584406.db2.gz YXKROMLEJBCFFK-FQEVSTJZSA-N 2 1 328.500 3.713 20 0 EHADMP CC[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746522 1036596983 /nfs/dbraw/zinc/59/69/83/1036596983.db2.gz YOVHLVIYBNYXGT-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746522 1036596992 /nfs/dbraw/zinc/59/69/92/1036596992.db2.gz YOVHLVIYBNYXGT-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746522 1036597006 /nfs/dbraw/zinc/59/70/06/1036597006.db2.gz YOVHLVIYBNYXGT-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)[C@H](C)C1 ZINC000493082689 1036669203 /nfs/dbraw/zinc/66/92/03/1036669203.db2.gz VOELVZRJNDLOIR-GJYPPUQNSA-N 2 1 325.500 3.654 20 0 EHADMP CCc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cn1 ZINC000414323009 1036675794 /nfs/dbraw/zinc/67/57/94/1036675794.db2.gz GJVYBGIJEXHRPI-UHFFFAOYSA-N 2 1 338.499 3.561 20 0 EHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000414326049 1036684078 /nfs/dbraw/zinc/68/40/78/1036684078.db2.gz LDDPPBJLINXEMN-QGZVFWFLSA-N 2 1 344.478 3.530 20 0 EHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000414326049 1036684084 /nfs/dbraw/zinc/68/40/84/1036684084.db2.gz LDDPPBJLINXEMN-QGZVFWFLSA-N 2 1 344.478 3.530 20 0 EHADMP CC[N@@H+](CCOc1cccc(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999660 1036695096 /nfs/dbraw/zinc/69/50/96/1036695096.db2.gz QPFFNDYWHDPZNR-UHFFFAOYSA-N 2 1 326.484 3.958 20 0 EHADMP Cc1csc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000590074730 1036731310 /nfs/dbraw/zinc/73/13/10/1036731310.db2.gz LOQCFUNPTBLBNG-OAHLLOKOSA-N 2 1 333.501 3.633 20 0 EHADMP CCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(OCCC)c1 ZINC000539546746 1036902817 /nfs/dbraw/zinc/90/28/17/1036902817.db2.gz HPEIURQWGABNNU-UHFFFAOYSA-N 2 1 332.488 3.616 20 0 EHADMP COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OCc1ccccc1 ZINC000647530859 1036908826 /nfs/dbraw/zinc/90/88/26/1036908826.db2.gz LHHYPIAKBBUDBV-UHFFFAOYSA-N 2 1 340.467 3.587 20 0 EHADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994649 1036937324 /nfs/dbraw/zinc/93/73/24/1036937324.db2.gz TXTJEYPFISFATE-COPCDDAFSA-N 2 1 338.495 3.874 20 0 EHADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994649 1036937342 /nfs/dbraw/zinc/93/73/42/1036937342.db2.gz TXTJEYPFISFATE-COPCDDAFSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611722 1036967288 /nfs/dbraw/zinc/96/72/88/1036967288.db2.gz SYVFPZSKNCSOCS-UHFFFAOYSA-N 2 1 344.462 3.984 20 0 EHADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000590786273 1037050948 /nfs/dbraw/zinc/05/09/48/1037050948.db2.gz LXXKBOKZVOVABK-GOSISDBHSA-N 2 1 345.531 3.683 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000590786704 1037055160 /nfs/dbraw/zinc/05/51/60/1037055160.db2.gz MXINFVDGSRKKRU-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000590786704 1037055175 /nfs/dbraw/zinc/05/51/75/1037055175.db2.gz MXINFVDGSRKKRU-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542824 1037066938 /nfs/dbraw/zinc/06/69/38/1037066938.db2.gz CLBAWULNRLZJQP-ZWKOTPCHSA-N 2 1 325.456 3.553 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104349 1037077477 /nfs/dbraw/zinc/07/74/77/1037077477.db2.gz KOXVJDPPWKEKOB-QGZVFWFLSA-N 2 1 330.516 3.842 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046203 1037170306 /nfs/dbraw/zinc/17/03/06/1037170306.db2.gz VAQNJNFWYMZZLR-GJZGRUSLSA-N 2 1 328.422 3.956 20 0 EHADMP CC(C)[NH2+]CCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000163457790 1037255052 /nfs/dbraw/zinc/25/50/52/1037255052.db2.gz TZZVCUVTFFTJRW-UHFFFAOYSA-N 2 1 331.504 3.778 20 0 EHADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539846316 1037277289 /nfs/dbraw/zinc/27/72/89/1037277289.db2.gz YPUKGOWGHNCQOO-YJLNNSPDSA-N 2 1 330.520 3.867 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462777609 1037379377 /nfs/dbraw/zinc/37/93/77/1037379377.db2.gz NGFQXHBBQXECNT-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462777609 1037379402 /nfs/dbraw/zinc/37/94/02/1037379402.db2.gz NGFQXHBBQXECNT-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnn1-c1ccccc1 ZINC000342729894 1037507945 /nfs/dbraw/zinc/50/79/45/1037507945.db2.gz GMNABYZUFZYFJW-SFHVURJKSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]1CC[N@@H+](CCN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000532531318 1037555004 /nfs/dbraw/zinc/55/50/04/1037555004.db2.gz HPDMMUDYYWUEQF-LRDDRELGSA-N 2 1 328.378 3.504 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000540222837 1037724693 /nfs/dbraw/zinc/72/46/93/1037724693.db2.gz WHGVFVVVNBDOML-YJMBLLCNSA-N 2 1 344.543 3.938 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928617 1037725728 /nfs/dbraw/zinc/72/57/28/1037725728.db2.gz VCIATHOVPGOMNL-CJNGLKHVSA-N 2 1 337.305 3.676 20 0 EHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463081804 1037736075 /nfs/dbraw/zinc/73/60/75/1037736075.db2.gz GELLZGMQZXQCEZ-QRVBRYPASA-N 2 1 329.532 3.611 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124048 1037775836 /nfs/dbraw/zinc/77/58/36/1037775836.db2.gz MDVCRVIEBVUCQG-HLAWJBBLSA-N 2 1 345.575 3.996 20 0 EHADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463120245 1037784148 /nfs/dbraw/zinc/78/41/48/1037784148.db2.gz URXXCDCGCXENAZ-UHFFFAOYSA-N 2 1 340.486 3.973 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000463146749 1037815910 /nfs/dbraw/zinc/81/59/10/1037815910.db2.gz PLFRRDCSTITSPY-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463146749 1037815926 /nfs/dbraw/zinc/81/59/26/1037815926.db2.gz PLFRRDCSTITSPY-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000463146749 1037815944 /nfs/dbraw/zinc/81/59/44/1037815944.db2.gz PLFRRDCSTITSPY-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000119368938 1037898410 /nfs/dbraw/zinc/89/84/10/1037898410.db2.gz NBQHHGGPRIUPJS-UHFFFAOYSA-N 2 1 339.483 3.875 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463237984 1037922958 /nfs/dbraw/zinc/92/29/58/1037922958.db2.gz SIRZWFHKELCPLA-QIJUGHKUSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463237984 1037922971 /nfs/dbraw/zinc/92/29/71/1037922971.db2.gz SIRZWFHKELCPLA-QIJUGHKUSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463250662 1037938894 /nfs/dbraw/zinc/93/88/94/1037938894.db2.gz NITCXCYERHAGFI-GRTSPXDGSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000925525018 1038261629 /nfs/dbraw/zinc/26/16/29/1038261629.db2.gz DELSLVBDEYLWRL-PREPNJAASA-N 2 1 332.332 3.626 20 0 EHADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538797858 1038536828 /nfs/dbraw/zinc/53/68/28/1038536828.db2.gz BUOQPVUNILOVBP-GHTZIAJQSA-N 2 1 328.500 3.923 20 0 EHADMP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538797858 1038536833 /nfs/dbraw/zinc/53/68/33/1038536833.db2.gz BUOQPVUNILOVBP-GHTZIAJQSA-N 2 1 328.500 3.923 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CO1 ZINC000659980711 1038599030 /nfs/dbraw/zinc/59/90/30/1038599030.db2.gz YLUJEGJPVGZVJG-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000539070966 1038669265 /nfs/dbraw/zinc/66/92/65/1038669265.db2.gz ATARXNJDTMKMMK-KHYOSLBOSA-N 2 1 336.907 3.806 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539094041 1038679989 /nfs/dbraw/zinc/67/99/89/1038679989.db2.gz SLCMGQQQYQWANZ-PZJWPPBQSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539094041 1038679992 /nfs/dbraw/zinc/67/99/92/1038679992.db2.gz SLCMGQQQYQWANZ-PZJWPPBQSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc(C)n1 ZINC000660006373 1038686725 /nfs/dbraw/zinc/68/67/25/1038686725.db2.gz MLJUBIABNJFGNQ-KRWDZBQOSA-N 2 1 330.520 3.570 20 0 EHADMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000924687247 1038725960 /nfs/dbraw/zinc/72/59/60/1038725960.db2.gz OCLOFUWAYBBUNG-HFSMHLIXSA-N 2 1 346.563 3.541 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048495 1038915894 /nfs/dbraw/zinc/91/58/94/1038915894.db2.gz UYUSEIAYYGPZEB-XLCOUGHXSA-N 3 1 343.559 3.892 20 0 EHADMP Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552048040 1038917091 /nfs/dbraw/zinc/91/70/91/1038917091.db2.gz FLJBKJBOVOXOFA-BAGYTPMASA-N 2 1 337.511 3.806 20 0 EHADMP CC(C)Cc1ccc([C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000554141203 1038965416 /nfs/dbraw/zinc/96/54/16/1038965416.db2.gz ZUEQSZWJDQUPAE-JOCHJYFZSA-N 2 1 345.575 3.950 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477923304 1039032738 /nfs/dbraw/zinc/03/27/38/1039032738.db2.gz UONXQHDUEZUSQG-CTNGQTDRSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923304 1039032758 /nfs/dbraw/zinc/03/27/58/1039032758.db2.gz UONXQHDUEZUSQG-CTNGQTDRSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923304 1039032781 /nfs/dbraw/zinc/03/27/81/1039032781.db2.gz UONXQHDUEZUSQG-CTNGQTDRSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923304 1039032800 /nfs/dbraw/zinc/03/28/00/1039032800.db2.gz UONXQHDUEZUSQG-CTNGQTDRSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](NCC1([NH+](C)C)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480091186 1039140849 /nfs/dbraw/zinc/14/08/49/1039140849.db2.gz KKQYFGHXFUEHQC-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(F)(F)F)cc1 ZINC000552280337 1039153986 /nfs/dbraw/zinc/15/39/86/1039153986.db2.gz DNQNZRKDFVGFHS-OAHLLOKOSA-N 2 1 327.350 3.602 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898517777 1039185737 /nfs/dbraw/zinc/18/57/37/1039185737.db2.gz SQLWSGLKCRYNTQ-CEXWTWQISA-N 2 1 340.467 3.679 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000552336380 1039208142 /nfs/dbraw/zinc/20/81/42/1039208142.db2.gz BDIHIQJXKCETPB-TYPHKJRUSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552336380 1039208158 /nfs/dbraw/zinc/20/81/58/1039208158.db2.gz BDIHIQJXKCETPB-TYPHKJRUSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552336380 1039208174 /nfs/dbraw/zinc/20/81/74/1039208174.db2.gz BDIHIQJXKCETPB-TYPHKJRUSA-N 2 1 329.532 3.504 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311164312 1039284899 /nfs/dbraw/zinc/28/48/99/1039284899.db2.gz ZKAVVVFBHIMGHO-GOSISDBHSA-N 2 1 342.458 3.836 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311164312 1039284910 /nfs/dbraw/zinc/28/49/10/1039284910.db2.gz ZKAVVVFBHIMGHO-GOSISDBHSA-N 2 1 342.458 3.836 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219900 1039318974 /nfs/dbraw/zinc/31/89/74/1039318974.db2.gz DJXUUBLBUYZWAO-KNQAVFIVSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219900 1039318992 /nfs/dbraw/zinc/31/89/92/1039318992.db2.gz DJXUUBLBUYZWAO-KNQAVFIVSA-N 2 1 337.511 3.623 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584593856 1039349890 /nfs/dbraw/zinc/34/98/90/1039349890.db2.gz OFGYNGJGNQZPPN-JKSUJKDBSA-N 2 1 329.875 3.710 20 0 EHADMP COc1cc(C[NH+]2CCC23CCC3)cc(C[N@H+]2CCC23CCC3)c1 ZINC000432836247 1039512528 /nfs/dbraw/zinc/51/25/28/1039512528.db2.gz SZABGNVRLAVLGL-UHFFFAOYSA-N 2 1 326.484 3.952 20 0 EHADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001142595185 1039621384 /nfs/dbraw/zinc/62/13/84/1039621384.db2.gz OTWQBOHVQCTZHP-HXUWFJFHSA-N 2 1 344.499 3.704 20 0 EHADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001142595185 1039621392 /nfs/dbraw/zinc/62/13/92/1039621392.db2.gz OTWQBOHVQCTZHP-HXUWFJFHSA-N 2 1 344.499 3.704 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417303272 1039643049 /nfs/dbraw/zinc/64/30/49/1039643049.db2.gz ADCOCHDUCLYNSI-FLXSYLCISA-N 2 1 336.545 3.719 20 0 EHADMP CCOCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924712090 1039763427 /nfs/dbraw/zinc/76/34/27/1039763427.db2.gz WKGYOCHUFGUGGW-SEJPIABJSA-N 2 1 330.516 3.978 20 0 EHADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)c1O ZINC000554866879 1039853933 /nfs/dbraw/zinc/85/39/33/1039853933.db2.gz GFENORMWSRQNAL-OYRHEFFESA-N 2 1 336.479 3.573 20 0 EHADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)c1O ZINC000554866879 1039853957 /nfs/dbraw/zinc/85/39/57/1039853957.db2.gz GFENORMWSRQNAL-OYRHEFFESA-N 2 1 336.479 3.573 20 0 EHADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(C)c1O ZINC000554866879 1039853982 /nfs/dbraw/zinc/85/39/82/1039853982.db2.gz GFENORMWSRQNAL-OYRHEFFESA-N 2 1 336.479 3.573 20 0 EHADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(C)c1O ZINC000554866879 1039854008 /nfs/dbraw/zinc/85/40/08/1039854008.db2.gz GFENORMWSRQNAL-OYRHEFFESA-N 2 1 336.479 3.573 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581648 1040057045 /nfs/dbraw/zinc/05/70/45/1040057045.db2.gz MHAPPKNREAZMQB-WQVCFCJDSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581648 1040057060 /nfs/dbraw/zinc/05/70/60/1040057060.db2.gz MHAPPKNREAZMQB-WQVCFCJDSA-N 2 1 325.294 3.973 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087018 1040058832 /nfs/dbraw/zinc/05/88/32/1040058832.db2.gz RHTFYYFWCIDQBG-LJQANCHMSA-N 2 1 340.515 3.571 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087018 1040058847 /nfs/dbraw/zinc/05/88/47/1040058847.db2.gz RHTFYYFWCIDQBG-LJQANCHMSA-N 2 1 340.515 3.571 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087018 1040058863 /nfs/dbraw/zinc/05/88/63/1040058863.db2.gz RHTFYYFWCIDQBG-LJQANCHMSA-N 2 1 340.515 3.571 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087018 1040058875 /nfs/dbraw/zinc/05/88/75/1040058875.db2.gz RHTFYYFWCIDQBG-LJQANCHMSA-N 2 1 340.515 3.571 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000479252040 1040073322 /nfs/dbraw/zinc/07/33/22/1040073322.db2.gz SKAOAXVADAQUSL-KHYOSLBOSA-N 2 1 336.907 3.806 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000480846928 1040085250 /nfs/dbraw/zinc/08/52/50/1040085250.db2.gz UFFUDPWCSVDJEP-FQEVSTJZSA-N 2 1 342.527 3.932 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489611561 1040105359 /nfs/dbraw/zinc/10/53/59/1040105359.db2.gz PUILKFUQNSADGX-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000486550801 1040249450 /nfs/dbraw/zinc/24/94/50/1040249450.db2.gz QVVNIBAGLQVEST-PDGJWGCVSA-N 2 1 344.543 3.938 20 0 EHADMP CC1(C)CC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC(C)(C)[NH2+]1 ZINC000893322524 1040263582 /nfs/dbraw/zinc/26/35/82/1040263582.db2.gz UZJJEYJTIJMNGD-UHFFFAOYSA-N 2 1 335.439 3.647 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000481031347 1040290803 /nfs/dbraw/zinc/29/08/03/1040290803.db2.gz ARKGZENBVNVDGD-YOEHRIQHSA-N 2 1 348.487 3.662 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512627099 1040325099 /nfs/dbraw/zinc/32/50/99/1040325099.db2.gz ZYVMMTRDFADDPE-PVIWCNJMSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549867956 1040455855 /nfs/dbraw/zinc/45/58/55/1040455855.db2.gz KJZCXMIMPJDZTN-GIVPXCGWSA-N 2 1 342.527 3.693 20 0 EHADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2)[C@H]1c1cccs1 ZINC000364258212 1040596508 /nfs/dbraw/zinc/59/65/08/1040596508.db2.gz HIVQXESURCIDED-PBHICJAKSA-N 2 1 328.485 3.767 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486978814 1040614396 /nfs/dbraw/zinc/61/43/96/1040614396.db2.gz HSKKMZBCOQXGTE-HUUCEWRRSA-N 2 1 333.501 3.861 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000500249585 1040798887 /nfs/dbraw/zinc/79/88/87/1040798887.db2.gz LPYGMFBBLCVRFN-QCFAMHMHSA-N 2 1 341.543 3.502 20 0 EHADMP CCCC[C@@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491024071 1040869136 /nfs/dbraw/zinc/86/91/36/1040869136.db2.gz WJANDGHHQQDLFG-FQEVSTJZSA-N 2 1 346.515 3.562 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000555617172 1040925718 /nfs/dbraw/zinc/92/57/18/1040925718.db2.gz ORUBNNBONLRTTB-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000555617172 1040925738 /nfs/dbraw/zinc/92/57/38/1040925738.db2.gz ORUBNNBONLRTTB-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000487562901 1040959876 /nfs/dbraw/zinc/95/98/76/1040959876.db2.gz TVFKFQXZCRCSMC-HAGHYFMRSA-N 2 1 330.541 3.630 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398093921 1041012262 /nfs/dbraw/zinc/01/22/62/1041012262.db2.gz KCPKOMZCJNHUCI-KDOFPFPSSA-N 2 1 329.513 3.760 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398093921 1041012279 /nfs/dbraw/zinc/01/22/79/1041012279.db2.gz KCPKOMZCJNHUCI-KDOFPFPSSA-N 2 1 329.513 3.760 20 0 EHADMP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168373697 1041109244 /nfs/dbraw/zinc/10/92/44/1041109244.db2.gz SSMKHCRYRRVDPV-QGZVFWFLSA-N 2 1 330.516 3.823 20 0 EHADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168373697 1041109249 /nfs/dbraw/zinc/10/92/49/1041109249.db2.gz SSMKHCRYRRVDPV-QGZVFWFLSA-N 2 1 330.516 3.823 20 0 EHADMP Fc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Br ZINC000020128834 1041179635 /nfs/dbraw/zinc/17/96/35/1041179635.db2.gz CETHBZQICIIMGH-UHFFFAOYSA-N 2 1 329.257 3.554 20 0 EHADMP CO[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000660434008 1041324600 /nfs/dbraw/zinc/32/46/00/1041324600.db2.gz DERMFWFGFKGVGA-HXUWFJFHSA-N 2 1 345.531 3.994 20 0 EHADMP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000512980392 1041336809 /nfs/dbraw/zinc/33/68/09/1041336809.db2.gz HXXHWPSTVIPMRR-WMZOPIPTSA-N 2 1 343.540 3.891 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657832 1041756773 /nfs/dbraw/zinc/75/67/73/1041756773.db2.gz ANLCSKXBXAZHMV-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657832 1041756780 /nfs/dbraw/zinc/75/67/80/1041756780.db2.gz ANLCSKXBXAZHMV-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657832 1041756788 /nfs/dbraw/zinc/75/67/88/1041756788.db2.gz ANLCSKXBXAZHMV-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000893411547 1041901258 /nfs/dbraw/zinc/90/12/58/1041901258.db2.gz HESMVURWGZDKKB-APWZRJJASA-N 2 1 327.447 3.529 20 0 EHADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000652268603 1042301863 /nfs/dbraw/zinc/30/18/63/1042301863.db2.gz FBBKAQJTUOATNE-TZWRJOPASA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC[C@@H]1C(F)(F)F ZINC000652341386 1042397636 /nfs/dbraw/zinc/39/76/36/1042397636.db2.gz LRLOVJAXRXOVSF-INIZCTEOSA-N 2 1 326.406 3.743 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@@H]1CC[NH3+] ZINC000652355934 1042416002 /nfs/dbraw/zinc/41/60/02/1042416002.db2.gz NHOLCAWQAHFSLJ-VQIMIIECSA-N 2 1 325.456 3.823 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248563465 1042526718 /nfs/dbraw/zinc/52/67/18/1042526718.db2.gz KAMXEVIALVBOND-HJNYFJLDSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248563465 1042526724 /nfs/dbraw/zinc/52/67/24/1042526724.db2.gz KAMXEVIALVBOND-HJNYFJLDSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248563465 1042526731 /nfs/dbraw/zinc/52/67/31/1042526731.db2.gz KAMXEVIALVBOND-HJNYFJLDSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662150792 1042546436 /nfs/dbraw/zinc/54/64/36/1042546436.db2.gz BBZLSCOQUSOREG-OXQOHEQNSA-N 2 1 330.516 3.576 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662150792 1042546438 /nfs/dbraw/zinc/54/64/38/1042546438.db2.gz BBZLSCOQUSOREG-OXQOHEQNSA-N 2 1 330.516 3.576 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000662287118 1042659305 /nfs/dbraw/zinc/65/93/05/1042659305.db2.gz WFNBDMQIPZZRJJ-VOFPXKNKSA-N 2 1 342.527 3.789 20 0 EHADMP c1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)noc1-c1ccccc1 ZINC000662291917 1042662139 /nfs/dbraw/zinc/66/21/39/1042662139.db2.gz ARMWRBACDKHCSY-SFHVURJKSA-N 2 1 325.456 3.553 20 0 EHADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000662293136 1042663621 /nfs/dbraw/zinc/66/36/21/1042663621.db2.gz JZVPLDZKDDZBGM-ZDUSSCGKSA-N 2 1 347.450 3.682 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC3 ZINC000662307656 1042674784 /nfs/dbraw/zinc/67/47/84/1042674784.db2.gz XYNKKPFEQKLGAY-UHFFFAOYSA-N 2 1 331.463 3.680 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC3 ZINC000662307656 1042674787 /nfs/dbraw/zinc/67/47/87/1042674787.db2.gz XYNKKPFEQKLGAY-UHFFFAOYSA-N 2 1 331.463 3.680 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]1CCC[NH3+] ZINC000662312381 1042681702 /nfs/dbraw/zinc/68/17/02/1042681702.db2.gz BKEGRKVIAUABAZ-RDTXWAMCSA-N 2 1 331.435 3.820 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+](C(c2ccccc2)c2ccccc2)CCO1 ZINC000662319005 1042682703 /nfs/dbraw/zinc/68/27/03/1042682703.db2.gz IUEFQZPKNVXOES-OAQYLSRUSA-N 2 1 338.495 3.819 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)[C@@H]1CCC[NH3+] ZINC000662316726 1042685507 /nfs/dbraw/zinc/68/55/07/1042685507.db2.gz MPKMILLHSSHFNS-FZKQIMNGSA-N 2 1 349.425 3.959 20 0 EHADMP C[C@H]1CCCC[C@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327509 1042690360 /nfs/dbraw/zinc/69/03/60/1042690360.db2.gz PYARDRKOODLFKU-LPHOPBHVSA-N 2 1 344.547 3.882 20 0 EHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1csc(Cl)c1 ZINC000343919314 1042827718 /nfs/dbraw/zinc/82/77/18/1042827718.db2.gz CEDJITKNOISTKK-LBPRGKRZSA-N 2 1 339.892 3.588 20 0 EHADMP COC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467066 1042892158 /nfs/dbraw/zinc/89/21/58/1042892158.db2.gz ZJTSRULNFZWDEV-LPHOPBHVSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467066 1042892162 /nfs/dbraw/zinc/89/21/62/1042892162.db2.gz ZJTSRULNFZWDEV-LPHOPBHVSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467066 1042892164 /nfs/dbraw/zinc/89/21/64/1042892164.db2.gz ZJTSRULNFZWDEV-LPHOPBHVSA-N 2 1 336.907 3.739 20 0 EHADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663470657 1042900284 /nfs/dbraw/zinc/90/02/84/1042900284.db2.gz WBALJLKKFRWUIO-KNQAVFIVSA-N 2 1 342.527 3.728 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000278913272 1042928974 /nfs/dbraw/zinc/92/89/74/1042928974.db2.gz HBIRKQNPOHADCU-KBPBESRZSA-N 2 1 331.485 3.527 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643475780 1042947406 /nfs/dbraw/zinc/94/74/06/1042947406.db2.gz LMFVWLNNOLCZHA-BOWFFMLLSA-N 2 1 346.515 3.814 20 0 EHADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000344023542 1043114954 /nfs/dbraw/zinc/11/49/54/1043114954.db2.gz OLBZOAVOFMUTKP-XHDPSFHLSA-N 2 1 331.273 3.969 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412087 1043117742 /nfs/dbraw/zinc/11/77/42/1043117742.db2.gz ACZDCKMCNRRFSX-BEFAXECRSA-N 2 1 336.907 3.808 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419429 1043153238 /nfs/dbraw/zinc/15/32/38/1043153238.db2.gz BTGGWRAHQVKSAC-RTBURBONSA-N 2 1 332.532 3.833 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419429 1043153241 /nfs/dbraw/zinc/15/32/41/1043153241.db2.gz BTGGWRAHQVKSAC-RTBURBONSA-N 2 1 332.532 3.833 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1(C)C ZINC000344052225 1043164116 /nfs/dbraw/zinc/16/41/16/1043164116.db2.gz JUQNHJDEBDBJQZ-ZWKOTPCHSA-N 2 1 331.435 3.613 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423576 1043168650 /nfs/dbraw/zinc/16/86/50/1043168650.db2.gz KROOIZGYCKJHHS-CTNGQTDRSA-N 2 1 332.532 3.734 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423576 1043168655 /nfs/dbraw/zinc/16/86/55/1043168655.db2.gz KROOIZGYCKJHHS-CTNGQTDRSA-N 2 1 332.532 3.734 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344074137 1043204315 /nfs/dbraw/zinc/20/43/15/1043204315.db2.gz MLJBHHXVYNRKOO-NHCUHLMSSA-N 2 1 330.516 3.744 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C12CCC2 ZINC000344103241 1043257538 /nfs/dbraw/zinc/25/75/38/1043257538.db2.gz VYNXYDIVUJVBQZ-UXHICEINSA-N 2 1 330.516 3.964 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@@H](C)C1 ZINC000279524182 1044180759 /nfs/dbraw/zinc/18/07/59/1044180759.db2.gz OPOOYRKSWLKIMO-MAUKXSAKSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@@H](C)C1 ZINC000279524182 1044180766 /nfs/dbraw/zinc/18/07/66/1044180766.db2.gz OPOOYRKSWLKIMO-MAUKXSAKSA-N 2 1 343.446 3.833 20 0 EHADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512243281 1044361964 /nfs/dbraw/zinc/36/19/64/1044361964.db2.gz KDXXDTDOAMIAAR-FCHUYYIVSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243281 1044361980 /nfs/dbraw/zinc/36/19/80/1044361980.db2.gz KDXXDTDOAMIAAR-FCHUYYIVSA-N 2 1 342.527 3.526 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000153603968 1125636536 /nfs/dbraw/zinc/63/65/36/1125636536.db2.gz OUVDHPLBHVVYSW-ZYSHUDEJSA-N 2 1 337.939 3.653 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000153860198 1125668831 /nfs/dbraw/zinc/66/88/31/1125668831.db2.gz GYSHXRFNSUPJIE-WSTZPKSXSA-N 2 1 331.548 3.968 20 0 EHADMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974314 1126844255 /nfs/dbraw/zinc/84/42/55/1126844255.db2.gz CNRCCYGOOBMIBU-FQEVSTJZSA-N 2 1 336.479 3.575 20 0 EHADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974314 1126844258 /nfs/dbraw/zinc/84/42/58/1126844258.db2.gz CNRCCYGOOBMIBU-FQEVSTJZSA-N 2 1 336.479 3.575 20 0 EHADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974314 1126844261 /nfs/dbraw/zinc/84/42/61/1126844261.db2.gz CNRCCYGOOBMIBU-FQEVSTJZSA-N 2 1 336.479 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC[N@H+]1C ZINC000174513301 1126854901 /nfs/dbraw/zinc/85/49/01/1126854901.db2.gz VINXVFXAYKMYFQ-UZLBHIALSA-N 2 1 342.458 3.977 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000185288202 1126859167 /nfs/dbraw/zinc/85/91/67/1126859167.db2.gz WFMVLOKTTLUXHH-UHFFFAOYSA-N 2 1 347.846 3.990 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000671301841 1126888646 /nfs/dbraw/zinc/88/86/46/1126888646.db2.gz QKUFZULGKSMFOJ-DYESRHJHSA-N 2 1 348.494 3.748 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000671301841 1126888650 /nfs/dbraw/zinc/88/86/50/1126888650.db2.gz QKUFZULGKSMFOJ-DYESRHJHSA-N 2 1 348.494 3.748 20 0 EHADMP CC[C@@H](C)C(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623369826 1126932431 /nfs/dbraw/zinc/93/24/31/1126932431.db2.gz SNEFUDKWWPRMLC-CRAIPNDOSA-N 2 1 331.504 3.634 20 0 EHADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623369826 1126932435 /nfs/dbraw/zinc/93/24/35/1126932435.db2.gz SNEFUDKWWPRMLC-CRAIPNDOSA-N 2 1 331.504 3.634 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC1CCCC1 ZINC000623400466 1126945578 /nfs/dbraw/zinc/94/55/78/1126945578.db2.gz VJVGTHRBQGBYEQ-QGZVFWFLSA-N 2 1 346.515 3.979 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC1CCCC1 ZINC000623400466 1126945579 /nfs/dbraw/zinc/94/55/79/1126945579.db2.gz VJVGTHRBQGBYEQ-QGZVFWFLSA-N 2 1 346.515 3.979 20 0 EHADMP CN1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC1(C)C ZINC000623428634 1126953561 /nfs/dbraw/zinc/95/35/61/1126953561.db2.gz SJFJBXPDDXPHSS-OAHLLOKOSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC1(C)C ZINC000623428634 1126953562 /nfs/dbraw/zinc/95/35/62/1126953562.db2.gz SJFJBXPDDXPHSS-OAHLLOKOSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)CC1(C)C ZINC000623428634 1126953564 /nfs/dbraw/zinc/95/35/64/1126953564.db2.gz SJFJBXPDDXPHSS-OAHLLOKOSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@H+]1CC[C@H](N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1(C)C ZINC000623432874 1126954895 /nfs/dbraw/zinc/95/48/95/1126954895.db2.gz OMLQQNYMKFKVOY-GXFFZTMASA-N 2 1 329.271 3.889 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623471567 1126962928 /nfs/dbraw/zinc/96/29/28/1126962928.db2.gz FCZCIKUCEWTNIR-IEBWSBKVSA-N 2 1 348.494 3.953 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000178035195 1127005290 /nfs/dbraw/zinc/00/52/90/1127005290.db2.gz IQAXIOHVEUTGLK-MJBXVCDLSA-N 2 1 330.925 3.942 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623853394 1127202357 /nfs/dbraw/zinc/20/23/57/1127202357.db2.gz XGAOQWXMPKSHGX-CYBMUJFWSA-N 2 1 325.294 3.892 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623881471 1127205691 /nfs/dbraw/zinc/20/56/91/1127205691.db2.gz OZXZLMYJACKBNH-QGZVFWFLSA-N 2 1 328.847 3.993 20 0 EHADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000624046597 1127242182 /nfs/dbraw/zinc/24/21/82/1127242182.db2.gz CSHGIGRILIRPGI-WDSOQIARSA-N 2 1 327.497 3.533 20 0 EHADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000624046597 1127242185 /nfs/dbraw/zinc/24/21/85/1127242185.db2.gz CSHGIGRILIRPGI-WDSOQIARSA-N 2 1 327.497 3.533 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124107 1127256587 /nfs/dbraw/zinc/25/65/87/1127256587.db2.gz XJJYZESAFYQKRJ-BBRMVZONSA-N 2 1 341.421 3.799 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2cc(Cl)ccc2Br)CC[N@H+]1C ZINC000181498930 1127279780 /nfs/dbraw/zinc/27/97/80/1127279780.db2.gz FGOZAPJQTZGQHC-SMDDNHRTSA-N 2 1 345.712 3.717 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@@H]1CC[NH3+] ZINC000404435365 1127433993 /nfs/dbraw/zinc/43/39/93/1127433993.db2.gz QXRRMBOJWKFKOF-XJKSGUPXSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@@H]1CC[NH3+] ZINC000404435365 1127433994 /nfs/dbraw/zinc/43/39/94/1127433994.db2.gz QXRRMBOJWKFKOF-XJKSGUPXSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@H]1CC[NH3+] ZINC000404426671 1127434019 /nfs/dbraw/zinc/43/40/19/1127434019.db2.gz LZTINDFYDJAWHC-GUYCJALGSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@H]1CC[NH3+] ZINC000404426671 1127434021 /nfs/dbraw/zinc/43/40/21/1127434021.db2.gz LZTINDFYDJAWHC-GUYCJALGSA-N 2 1 333.863 3.944 20 0 EHADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000381792229 1127492981 /nfs/dbraw/zinc/49/29/81/1127492981.db2.gz BBZGOIGWDRRGGK-AKHDSKFASA-N 2 1 334.454 3.922 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)C[NH+]1CCCCC1 ZINC000325390552 1127505425 /nfs/dbraw/zinc/50/54/25/1127505425.db2.gz PSCQWBBCKCFMEI-MSOLQXFVSA-N 2 1 326.488 3.645 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000764662280 1127518357 /nfs/dbraw/zinc/51/83/57/1127518357.db2.gz LKGSGPVZGHJXAU-KRWDZBQOSA-N 2 1 326.488 3.707 20 0 EHADMP [NH3+]CCC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000126024549 1127560089 /nfs/dbraw/zinc/56/00/89/1127560089.db2.gz VBIQMSCMRIDKLA-UHFFFAOYSA-N 2 1 331.685 3.663 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980827 1127618024 /nfs/dbraw/zinc/61/80/24/1127618024.db2.gz RAVKJVASNARCHG-NHCUHLMSSA-N 2 1 342.527 3.980 20 0 EHADMP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1Cl ZINC000921526675 1127667995 /nfs/dbraw/zinc/66/79/95/1127667995.db2.gz GBAIPDPIGQEROY-UHFFFAOYSA-N 2 1 334.895 3.512 20 0 EHADMP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1Cl ZINC000921526675 1127667998 /nfs/dbraw/zinc/66/79/98/1127667998.db2.gz GBAIPDPIGQEROY-UHFFFAOYSA-N 2 1 334.895 3.512 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921536756 1127683206 /nfs/dbraw/zinc/68/32/06/1127683206.db2.gz RGYPOUSLWKGZID-QGZVFWFLSA-N 2 1 332.536 3.822 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@H]1CCCCO1 ZINC000347537944 1128055289 /nfs/dbraw/zinc/05/52/89/1128055289.db2.gz ITLOFKMQHSDMCT-HXUWFJFHSA-N 2 1 331.504 3.579 20 0 EHADMP [NH3+]CCCC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1F ZINC000902329168 1128138570 /nfs/dbraw/zinc/13/85/70/1128138570.db2.gz PTPHWYNOYDHSHU-SFHVURJKSA-N 2 1 344.409 3.572 20 0 EHADMP CCc1nc(C)c(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)o1 ZINC000902386062 1128174577 /nfs/dbraw/zinc/17/45/77/1128174577.db2.gz BDIYAOWPIRPNJA-INIZCTEOSA-N 2 1 337.414 3.784 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739848 1128177026 /nfs/dbraw/zinc/17/70/26/1128177026.db2.gz OCZKMIMGEGBYDU-AWEZNQCLSA-N 2 1 331.460 3.839 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739848 1128177031 /nfs/dbraw/zinc/17/70/31/1128177031.db2.gz OCZKMIMGEGBYDU-AWEZNQCLSA-N 2 1 331.460 3.839 20 0 EHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000671758290 1128236751 /nfs/dbraw/zinc/23/67/51/1128236751.db2.gz QTPSINPKFAUWDL-VWEINGBSSA-N 2 1 330.516 3.977 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186400284 1128423660 /nfs/dbraw/zinc/42/36/60/1128423660.db2.gz OBDHDUJNHAFARW-GOSISDBHSA-N 2 1 346.515 3.789 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921774444 1128749412 /nfs/dbraw/zinc/74/94/12/1128749412.db2.gz HFZXQQGKTHRKIU-UHFFFAOYSA-N 2 1 336.439 3.949 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)[C@H]1c1cccs1 ZINC000921775124 1128753183 /nfs/dbraw/zinc/75/31/83/1128753183.db2.gz BMGVTASFHGZZDA-BEFAXECRSA-N 2 1 344.528 3.842 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)[C@H]1c1cccs1 ZINC000921775124 1128753188 /nfs/dbraw/zinc/75/31/88/1128753188.db2.gz BMGVTASFHGZZDA-BEFAXECRSA-N 2 1 344.528 3.842 20 0 EHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCCC[C@H]1O ZINC001168675255 1128785859 /nfs/dbraw/zinc/78/58/59/1128785859.db2.gz DAIJAJLKYXOURC-NHCUHLMSSA-N 2 1 330.516 3.655 20 0 EHADMP Cc1sc(C[NH2+]CCC[NH+]2CCCCC2)cc1Br ZINC000227774405 1120181805 /nfs/dbraw/zinc/18/18/05/1120181805.db2.gz HVTLCODVBAEPHZ-UHFFFAOYSA-N 2 1 331.323 3.785 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCSCC1 ZINC000186996250 1120482641 /nfs/dbraw/zinc/48/26/41/1120482641.db2.gz BQNSMQLBXKQTHV-KRWDZBQOSA-N 2 1 332.557 3.815 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192056147 1120709324 /nfs/dbraw/zinc/70/93/24/1120709324.db2.gz ARHPTWOBGCBABO-ROUUACIJSA-N 2 1 333.863 3.745 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640761 1120711463 /nfs/dbraw/zinc/71/14/63/1120711463.db2.gz BZZNZEFAYJEMOU-VQIMIIECSA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640761 1120711469 /nfs/dbraw/zinc/71/14/69/1120711469.db2.gz BZZNZEFAYJEMOU-VQIMIIECSA-N 2 1 338.923 3.985 20 0 EHADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192759050 1120747730 /nfs/dbraw/zinc/74/77/30/1120747730.db2.gz MCLSFUUADGYCCK-JOCHJYFZSA-N 2 1 343.559 3.856 20 0 EHADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192926846 1120753656 /nfs/dbraw/zinc/75/36/56/1120753656.db2.gz RLYMBDYVDZIQHP-SFHVURJKSA-N 2 1 343.540 3.953 20 0 EHADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192926846 1120753661 /nfs/dbraw/zinc/75/36/61/1120753661.db2.gz RLYMBDYVDZIQHP-SFHVURJKSA-N 2 1 343.540 3.953 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000193976441 1120813278 /nfs/dbraw/zinc/81/32/78/1120813278.db2.gz RUGDMXCIUXPZBV-HOCLYGCPSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1ccccc1[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCC1 ZINC000495077109 1120946951 /nfs/dbraw/zinc/94/69/51/1120946951.db2.gz DESAKKPVCKUQBO-QFIPXVFZSA-N 2 1 343.559 3.844 20 0 EHADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250085042 1120953716 /nfs/dbraw/zinc/95/37/16/1120953716.db2.gz OGPFUXLSNYQHJB-USXIJHARSA-N 2 1 337.305 3.850 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000347441725 1120963495 /nfs/dbraw/zinc/96/34/95/1120963495.db2.gz PUYDATGPRLZYQR-HMXCVIKNSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000347441725 1120963498 /nfs/dbraw/zinc/96/34/98/1120963498.db2.gz PUYDATGPRLZYQR-HMXCVIKNSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441725 1120963503 /nfs/dbraw/zinc/96/35/03/1120963503.db2.gz PUYDATGPRLZYQR-HMXCVIKNSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441725 1120963508 /nfs/dbraw/zinc/96/35/08/1120963508.db2.gz PUYDATGPRLZYQR-HMXCVIKNSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184868 1120982817 /nfs/dbraw/zinc/98/28/17/1120982817.db2.gz RRIRIVMLFTZXTN-IGCXYCKISA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184868 1120982822 /nfs/dbraw/zinc/98/28/22/1120982822.db2.gz RRIRIVMLFTZXTN-IGCXYCKISA-N 2 1 342.314 3.502 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000237092456 1121473070 /nfs/dbraw/zinc/47/30/70/1121473070.db2.gz MMXBGEJGBMJQMU-UHFFFAOYSA-N 2 1 343.298 3.947 20 0 EHADMP C[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000398017115 1121960311 /nfs/dbraw/zinc/96/03/11/1121960311.db2.gz RONUMQILCFAVEU-DXBBTUNJSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000398017115 1121960320 /nfs/dbraw/zinc/96/03/20/1121960320.db2.gz RONUMQILCFAVEU-DXBBTUNJSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000398035715 1121963909 /nfs/dbraw/zinc/96/39/09/1121963909.db2.gz PQPAEBYZJQIBII-DENIHFKCSA-N 2 1 338.495 3.703 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000398035715 1121963912 /nfs/dbraw/zinc/96/39/12/1121963912.db2.gz PQPAEBYZJQIBII-DENIHFKCSA-N 2 1 338.495 3.703 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1Br ZINC000037197142 1122173664 /nfs/dbraw/zinc/17/36/64/1122173664.db2.gz LZTHPJSHMUAPHG-GFCCVEGCSA-N 2 1 343.309 3.696 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)[nH+]1 ZINC000497385022 1122540103 /nfs/dbraw/zinc/54/01/03/1122540103.db2.gz LKSQXMVBJQKAFN-MISYRCLQSA-N 2 1 343.515 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000556052979 1122794557 /nfs/dbraw/zinc/79/45/57/1122794557.db2.gz OUFHUSNGEPOUCA-MJGOQNOKSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000556052979 1122794559 /nfs/dbraw/zinc/79/45/59/1122794559.db2.gz OUFHUSNGEPOUCA-MJGOQNOKSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000556052980 1122794812 /nfs/dbraw/zinc/79/48/12/1122794812.db2.gz OUFHUSNGEPOUCA-PKOBYXMFSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000556052980 1122794814 /nfs/dbraw/zinc/79/48/14/1122794814.db2.gz OUFHUSNGEPOUCA-PKOBYXMFSA-N 2 1 328.431 3.759 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063957 1122799507 /nfs/dbraw/zinc/79/95/07/1122799507.db2.gz SGDMIEJKPYPRKZ-AAIMPIBUSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc21 ZINC000556063957 1122799512 /nfs/dbraw/zinc/79/95/12/1122799512.db2.gz SGDMIEJKPYPRKZ-AAIMPIBUSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1COc2ccccc21 ZINC000556117614 1122825741 /nfs/dbraw/zinc/82/57/41/1122825741.db2.gz FCOUUSXSDMIOJH-AGKXRFJRSA-N 2 1 336.479 3.976 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1COc2ccccc21 ZINC000556117614 1122825746 /nfs/dbraw/zinc/82/57/46/1122825746.db2.gz FCOUUSXSDMIOJH-AGKXRFJRSA-N 2 1 336.479 3.976 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCCC(C)C ZINC000556203043 1122872867 /nfs/dbraw/zinc/87/28/67/1122872867.db2.gz FWEKMWROIBYEOA-LJQANCHMSA-N 2 1 348.531 3.940 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000498349969 1122880288 /nfs/dbraw/zinc/88/02/88/1122880288.db2.gz NNTKRHKKOUPWBM-FCHUYYIVSA-N 2 1 343.559 3.720 20 0 EHADMP C[N@@H+](CCCC[NH3+])Cc1sc2ccccc2c1Br ZINC001236142001 1122936210 /nfs/dbraw/zinc/93/62/10/1122936210.db2.gz QSJAUNFIUXZHBN-UHFFFAOYSA-N 2 1 327.291 3.835 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000556455568 1122982950 /nfs/dbraw/zinc/98/29/50/1122982950.db2.gz YQOWZMUOGWHBNB-QGZVFWFLSA-N 2 1 348.288 3.782 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556872538 1123161897 /nfs/dbraw/zinc/16/18/97/1123161897.db2.gz PHSRGXJKVFUJTN-YPAWHYETSA-N 3 1 343.559 3.609 20 0 EHADMP Fc1ccccc1SCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134921100 1123565111 /nfs/dbraw/zinc/56/51/11/1123565111.db2.gz SJPBPFLMLVJWBV-QAPCUYQASA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134921100 1123565115 /nfs/dbraw/zinc/56/51/15/1123565115.db2.gz SJPBPFLMLVJWBV-QAPCUYQASA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134921100 1123565119 /nfs/dbraw/zinc/56/51/19/1123565119.db2.gz SJPBPFLMLVJWBV-QAPCUYQASA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134921100 1123565125 /nfs/dbraw/zinc/56/51/25/1123565125.db2.gz SJPBPFLMLVJWBV-QAPCUYQASA-N 2 1 334.504 3.867 20 0 EHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245557923 1123873568 /nfs/dbraw/zinc/87/35/68/1123873568.db2.gz KIPVSMBSHDBYLQ-VEZWFGLTSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245557923 1123873574 /nfs/dbraw/zinc/87/35/74/1123873574.db2.gz KIPVSMBSHDBYLQ-VEZWFGLTSA-N 2 1 338.536 3.597 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000163457344 1123879371 /nfs/dbraw/zinc/87/93/71/1123879371.db2.gz UXWFXOROQLJNTB-WBVHZDCISA-N 2 1 329.488 3.517 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245775909 1123950195 /nfs/dbraw/zinc/95/01/95/1123950195.db2.gz YAZKPAPVRGQGPF-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775909 1123950197 /nfs/dbraw/zinc/95/01/97/1123950197.db2.gz YAZKPAPVRGQGPF-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245775909 1123950198 /nfs/dbraw/zinc/95/01/98/1123950198.db2.gz YAZKPAPVRGQGPF-CIAFKFPVSA-N 2 1 341.543 3.646 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115707 1124025633 /nfs/dbraw/zinc/02/56/33/1124025633.db2.gz QDSXJNHCMCRCHI-GUYCJALGSA-N 2 1 337.305 3.832 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)cc1)C(C)C ZINC000617014827 1124077918 /nfs/dbraw/zinc/07/79/18/1124077918.db2.gz QJGQEFRLBXNQAP-IBGZPJMESA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1)C(C)C ZINC000617014827 1124077920 /nfs/dbraw/zinc/07/79/20/1124077920.db2.gz QJGQEFRLBXNQAP-IBGZPJMESA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1)C(C)C ZINC000617014827 1124077926 /nfs/dbraw/zinc/07/79/26/1124077926.db2.gz QJGQEFRLBXNQAP-IBGZPJMESA-N 2 1 345.531 3.520 20 0 EHADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000246295073 1124078532 /nfs/dbraw/zinc/07/85/32/1124078532.db2.gz CQQBJKHVVHIXMX-RTBURBONSA-N 2 1 348.531 3.730 20 0 EHADMP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000499653365 1129165962 /nfs/dbraw/zinc/16/59/62/1129165962.db2.gz ABWKDRDDWSKFDT-UHFFFAOYSA-N 2 1 347.528 3.871 20 0 EHADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000499653365 1129165965 /nfs/dbraw/zinc/16/59/65/1129165965.db2.gz ABWKDRDDWSKFDT-UHFFFAOYSA-N 2 1 347.528 3.871 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000246450263 1124470773 /nfs/dbraw/zinc/47/07/73/1124470773.db2.gz PFLZHYDFWDDIHL-PKOBYXMFSA-N 2 1 336.545 3.806 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC4CCC3CC4)CC2)oc1C ZINC000825302665 1131266677 /nfs/dbraw/zinc/26/66/77/1131266677.db2.gz YXTIQESRRFVWKS-NKELODKYSA-N 2 1 331.504 3.672 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1Cl ZINC000247936590 1124630894 /nfs/dbraw/zinc/63/08/94/1124630894.db2.gz COGDHCGSJUMJFK-ZFWWWQNUSA-N 2 1 345.314 3.881 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000248135410 1124642035 /nfs/dbraw/zinc/64/20/35/1124642035.db2.gz OZXMQLNSCHKGIA-WBMJQRKESA-N 2 1 328.378 3.504 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163557 1124644034 /nfs/dbraw/zinc/64/40/34/1124644034.db2.gz SNNMQXORANUXJW-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163557 1124644038 /nfs/dbraw/zinc/64/40/38/1124644038.db2.gz SNNMQXORANUXJW-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163557 1124644044 /nfs/dbraw/zinc/64/40/44/1124644044.db2.gz SNNMQXORANUXJW-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391996 1124655144 /nfs/dbraw/zinc/65/51/44/1124655144.db2.gz CQDHYSPZQYOSQZ-NJDAHSKKSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248763042 1124697425 /nfs/dbraw/zinc/69/74/25/1124697425.db2.gz DVZINOXUJUWOQA-PGRDOPGGSA-N 2 1 338.495 3.537 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000248967495 1124722817 /nfs/dbraw/zinc/72/28/17/1124722817.db2.gz CSPWIBMKOPMRNT-QRQLOZEOSA-N 2 1 342.527 3.795 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249195566 1124744906 /nfs/dbraw/zinc/74/49/06/1124744906.db2.gz QQRJRBSOBHAXSB-IEBWSBKVSA-N 2 1 326.488 3.601 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249195566 1124744908 /nfs/dbraw/zinc/74/49/08/1124744908.db2.gz QQRJRBSOBHAXSB-IEBWSBKVSA-N 2 1 326.488 3.601 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000251349182 1124907180 /nfs/dbraw/zinc/90/71/80/1124907180.db2.gz GCRYCSFPMJWEAG-YUTCNCBUSA-N 2 1 341.268 3.866 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093693478 1125290454 /nfs/dbraw/zinc/29/04/54/1125290454.db2.gz PFQXPXGOUMJXJR-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093693478 1125290455 /nfs/dbraw/zinc/29/04/55/1125290455.db2.gz PFQXPXGOUMJXJR-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000262254628 1125416666 /nfs/dbraw/zinc/41/66/66/1125416666.db2.gz QKMZHXVADXIUEO-YPAWHYETSA-N 2 1 343.559 3.929 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000922181431 1129304328 /nfs/dbraw/zinc/30/43/28/1129304328.db2.gz QXCMSBSXPZUQHB-QGZVFWFLSA-N 2 1 325.456 3.695 20 0 EHADMP C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000466361787 1129403307 /nfs/dbraw/zinc/40/33/07/1129403307.db2.gz YDBZFRJDGKABSA-RCLSDMTESA-N 2 1 334.548 3.968 20 0 EHADMP CC1([NH+]2CCC2)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000922847838 1129690082 /nfs/dbraw/zinc/69/00/82/1129690082.db2.gz GINQBVCUPQOQFB-UHFFFAOYSA-N 3 1 341.543 3.648 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890896 1129791192 /nfs/dbraw/zinc/79/11/92/1129791192.db2.gz ZKSWWTRLFAYEBS-WIYYLYMNSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890896 1129791194 /nfs/dbraw/zinc/79/11/94/1129791194.db2.gz ZKSWWTRLFAYEBS-WIYYLYMNSA-N 3 1 343.559 3.607 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282442920 1129843864 /nfs/dbraw/zinc/84/38/64/1129843864.db2.gz IFFYLQSHBLNCED-IBGZPJMESA-N 2 1 346.515 3.610 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282442920 1129843869 /nfs/dbraw/zinc/84/38/69/1129843869.db2.gz IFFYLQSHBLNCED-IBGZPJMESA-N 2 1 346.515 3.610 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000429225241 1130048813 /nfs/dbraw/zinc/04/88/13/1130048813.db2.gz FCUIADZWPKRHKT-GOSISDBHSA-N 2 1 325.500 3.963 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000429225241 1130048820 /nfs/dbraw/zinc/04/88/20/1130048820.db2.gz FCUIADZWPKRHKT-GOSISDBHSA-N 2 1 325.500 3.963 20 0 EHADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000675157279 1130271140 /nfs/dbraw/zinc/27/11/40/1130271140.db2.gz ZTGKNVLYJFZMQI-HXUWFJFHSA-N 2 1 330.516 3.836 20 0 EHADMP Clc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000703878851 1130410325 /nfs/dbraw/zinc/41/03/25/1130410325.db2.gz MVBYTSCKCJFUQD-NSISKUIASA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000703878851 1130410326 /nfs/dbraw/zinc/41/03/26/1130410326.db2.gz MVBYTSCKCJFUQD-NSISKUIASA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000703878851 1130410328 /nfs/dbraw/zinc/41/03/28/1130410328.db2.gz MVBYTSCKCJFUQD-NSISKUIASA-N 2 1 341.886 3.735 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222213 1130547666 /nfs/dbraw/zinc/54/76/66/1130547666.db2.gz FXZRKUQNEMMZBI-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222213 1130547671 /nfs/dbraw/zinc/54/76/71/1130547671.db2.gz FXZRKUQNEMMZBI-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222213 1130547674 /nfs/dbraw/zinc/54/76/74/1130547674.db2.gz FXZRKUQNEMMZBI-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@H](c2ccco2)C1)[NH+]1CC[C@@H](c2ccco2)C1 ZINC000676252972 1130554498 /nfs/dbraw/zinc/55/44/98/1130554498.db2.gz VQBMHDCPMJFGOM-FGTMMUONSA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@H](c2ccco2)C1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000676252972 1130554501 /nfs/dbraw/zinc/55/45/01/1130554501.db2.gz VQBMHDCPMJFGOM-FGTMMUONSA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@H](c2ccco2)C1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000676252972 1130554507 /nfs/dbraw/zinc/55/45/07/1130554507.db2.gz VQBMHDCPMJFGOM-FGTMMUONSA-N 2 1 328.456 3.930 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cc2cccc(Cl)c2)cn1 ZINC000282694057 1131142939 /nfs/dbraw/zinc/14/29/39/1131142939.db2.gz PNPPTIXWVAAIRY-CQSZACIVSA-N 2 1 340.858 3.950 20 0 EHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565425 1131774372 /nfs/dbraw/zinc/77/43/72/1131774372.db2.gz YEGYTIHYYFTHFJ-BAGYTPMASA-N 2 1 342.527 3.898 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172571098 1131776952 /nfs/dbraw/zinc/77/69/52/1131776952.db2.gz LTHJGKJPJIUMKZ-JKDFXYPNSA-N 2 1 330.850 3.869 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172571098 1131776957 /nfs/dbraw/zinc/77/69/57/1131776957.db2.gz LTHJGKJPJIUMKZ-JKDFXYPNSA-N 2 1 330.850 3.869 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172647506 1131799937 /nfs/dbraw/zinc/79/99/37/1131799937.db2.gz KCHPMRGREYKPIY-UHFFFAOYSA-N 2 1 331.504 3.685 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172717166 1131819062 /nfs/dbraw/zinc/81/90/62/1131819062.db2.gz QWIURCCOHZRXKQ-FOIQADDNSA-N 2 1 328.887 3.904 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172756718 1131836492 /nfs/dbraw/zinc/83/64/92/1131836492.db2.gz PUGQTJIGCHZGLX-QUCCMNQESA-N 2 1 346.515 3.609 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172872500 1131891883 /nfs/dbraw/zinc/89/18/83/1131891883.db2.gz BPYASNDRLPBAFK-AWEZNQCLSA-N 2 1 342.936 3.521 20 0 EHADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[C@H](OC)C2)c1 ZINC001172926749 1131908095 /nfs/dbraw/zinc/90/80/95/1131908095.db2.gz CESFBWZIPVDYQR-XCJLJZCSSA-N 2 1 346.515 3.725 20 0 EHADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172932789 1131910114 /nfs/dbraw/zinc/91/01/14/1131910114.db2.gz ZBIDCZKGFWFGAD-MKXGPGLRSA-N 2 1 334.479 3.855 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173082187 1131961234 /nfs/dbraw/zinc/96/12/34/1131961234.db2.gz JTZMKFWSWHPBPS-ZDUSSCGKSA-N 2 1 330.394 3.590 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173086791 1131963704 /nfs/dbraw/zinc/96/37/04/1131963704.db2.gz VMFOMPZWOUDMQD-AWEZNQCLSA-N 2 1 332.410 3.790 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001173112934 1131970589 /nfs/dbraw/zinc/97/05/89/1131970589.db2.gz FENNFGFMLDMRPH-QLOJAFMTSA-N 2 1 331.504 3.578 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001173113708 1131971893 /nfs/dbraw/zinc/97/18/93/1131971893.db2.gz KOOWRMWCDWYOLP-ZUEPYMLJSA-N 2 1 344.425 3.996 20 0 EHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000743859060 1131990586 /nfs/dbraw/zinc/99/05/86/1131990586.db2.gz MQACLFAKJXMWFL-GCJKJVERSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000743859060 1131990589 /nfs/dbraw/zinc/99/05/89/1131990589.db2.gz MQACLFAKJXMWFL-GCJKJVERSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386332206 1132504948 /nfs/dbraw/zinc/50/49/48/1132504948.db2.gz MNMLMRRQLKLNSW-WMQCIHAUSA-N 2 1 335.495 3.959 20 0 EHADMP Cc1cccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203403 1132586130 /nfs/dbraw/zinc/58/61/30/1132586130.db2.gz NAGKDHFSWWXABL-YADHBBJMSA-N 2 1 340.511 3.775 20 0 EHADMP Cc1cccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203403 1132586134 /nfs/dbraw/zinc/58/61/34/1132586134.db2.gz NAGKDHFSWWXABL-YADHBBJMSA-N 2 1 340.511 3.775 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766536176 1132600674 /nfs/dbraw/zinc/60/06/74/1132600674.db2.gz ILFVUVBSSALMLK-UZLBHIALSA-N 2 1 341.499 3.867 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766536176 1132600676 /nfs/dbraw/zinc/60/06/76/1132600676.db2.gz ILFVUVBSSALMLK-UZLBHIALSA-N 2 1 341.499 3.867 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCCN2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001175351301 1132645719 /nfs/dbraw/zinc/64/57/19/1132645719.db2.gz KODXNQOUYLPPJU-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc3c[nH]nc3c2)CC1 ZINC001175353114 1132647098 /nfs/dbraw/zinc/64/70/98/1132647098.db2.gz UHHXGBWNAAGFTQ-LJQANCHMSA-N 2 1 326.488 3.649 20 0 EHADMP COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001169152044 1132678815 /nfs/dbraw/zinc/67/88/15/1132678815.db2.gz JJEGQHVRWLJAPJ-HXUWFJFHSA-N 2 1 344.499 3.590 20 0 EHADMP COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001169152044 1132678821 /nfs/dbraw/zinc/67/88/21/1132678821.db2.gz JJEGQHVRWLJAPJ-HXUWFJFHSA-N 2 1 344.499 3.590 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(C)(C)C)cc3)CC1)C2 ZINC001169153254 1132680717 /nfs/dbraw/zinc/68/07/17/1132680717.db2.gz IIOBKNFHEJJADJ-WKCHPHFGSA-N 2 1 341.543 3.731 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(C)(C)C)cc3)CC1)C2 ZINC001169153254 1132680720 /nfs/dbraw/zinc/68/07/20/1132680720.db2.gz IIOBKNFHEJJADJ-WKCHPHFGSA-N 2 1 341.543 3.731 20 0 EHADMP Cc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206004494 1132691504 /nfs/dbraw/zinc/69/15/04/1132691504.db2.gz SQMGWJQVXJLYKH-FZMZJTMJSA-N 2 1 343.284 3.703 20 0 EHADMP C[C@H]1C[N@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206011844 1132757651 /nfs/dbraw/zinc/75/76/51/1132757651.db2.gz GTLHBVSMIZEHMY-UWVGGRQHSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@H]1C[N@@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206011844 1132757657 /nfs/dbraw/zinc/75/76/57/1132757657.db2.gz GTLHBVSMIZEHMY-UWVGGRQHSA-N 2 1 336.694 3.849 20 0 EHADMP Cn1c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc2ccccc21 ZINC001177186182 1133041316 /nfs/dbraw/zinc/04/13/16/1133041316.db2.gz HOVFEYSQUDWAQH-UHFFFAOYSA-N 2 1 347.506 3.975 20 0 EHADMP CCCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001177262529 1133049027 /nfs/dbraw/zinc/04/90/27/1133049027.db2.gz UYAMOVATDFVRET-SFHVURJKSA-N 2 1 340.515 3.957 20 0 EHADMP CCCn1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001177262529 1133049031 /nfs/dbraw/zinc/04/90/31/1133049031.db2.gz UYAMOVATDFVRET-SFHVURJKSA-N 2 1 340.515 3.957 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768104405 1133095987 /nfs/dbraw/zinc/09/59/87/1133095987.db2.gz JUUUJDKBBOEWIH-KPFFTGBYSA-N 2 1 328.500 3.776 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CNCc2cc(F)ccc2Br)C1 ZINC001177744213 1133098678 /nfs/dbraw/zinc/09/86/78/1133098678.db2.gz UFIFNGCQEIFCFE-CYBMUJFWSA-N 2 1 343.284 3.798 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC001206312085 1133126819 /nfs/dbraw/zinc/12/68/19/1133126819.db2.gz ZSBSMYNZXXVHAV-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)ccc(Br)c2F)CC1 ZINC001206312085 1133126821 /nfs/dbraw/zinc/12/68/21/1133126821.db2.gz ZSBSMYNZXXVHAV-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP CC[C@H]1C[C@H](C[NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CCO1 ZINC001178350935 1133158420 /nfs/dbraw/zinc/15/84/20/1133158420.db2.gz KSOSFLBFGBBHQY-UTKZUKDTSA-N 2 1 345.531 3.834 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4c(c3)COC4)C2)CC1 ZINC000769148944 1133233892 /nfs/dbraw/zinc/23/38/92/1133233892.db2.gz VSTBQVGCYOYWPL-LJQANCHMSA-N 2 1 328.500 3.661 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)CC1 ZINC000769148944 1133233898 /nfs/dbraw/zinc/23/38/98/1133233898.db2.gz VSTBQVGCYOYWPL-LJQANCHMSA-N 2 1 328.500 3.661 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148525 1133234523 /nfs/dbraw/zinc/23/45/23/1133234523.db2.gz NCEQGJOXSRVATR-HKUYNNGSSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148525 1133234529 /nfs/dbraw/zinc/23/45/29/1133234529.db2.gz NCEQGJOXSRVATR-HKUYNNGSSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148525 1133234532 /nfs/dbraw/zinc/23/45/32/1133234532.db2.gz NCEQGJOXSRVATR-HKUYNNGSSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148525 1133234539 /nfs/dbraw/zinc/23/45/39/1133234539.db2.gz NCEQGJOXSRVATR-HKUYNNGSSA-N 2 1 328.500 3.803 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000069751860 1133278392 /nfs/dbraw/zinc/27/83/92/1133278392.db2.gz HRYNFKRNRFDZFR-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(CC2CCC2)c1 ZINC001179926276 1133299831 /nfs/dbraw/zinc/29/98/31/1133299831.db2.gz WQNXXXZQBJVZFM-BHIFYINESA-N 2 1 342.527 3.713 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC001179989130 1133310867 /nfs/dbraw/zinc/31/08/67/1133310867.db2.gz LLAJCSVPWQZXJD-KDURUIRLSA-N 2 1 341.543 3.554 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC001179989130 1133310868 /nfs/dbraw/zinc/31/08/68/1133310868.db2.gz LLAJCSVPWQZXJD-KDURUIRLSA-N 2 1 341.543 3.554 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769695755 1133330605 /nfs/dbraw/zinc/33/06/05/1133330605.db2.gz YTBGHMQVQRLHSQ-BRWVUGGUSA-N 2 1 341.540 3.532 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769695755 1133330609 /nfs/dbraw/zinc/33/06/09/1133330609.db2.gz YTBGHMQVQRLHSQ-BRWVUGGUSA-N 2 1 341.540 3.532 20 0 EHADMP CC[C@]1(O)CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001181073187 1133453420 /nfs/dbraw/zinc/45/34/20/1133453420.db2.gz NMYXYQUVNDFRTK-VXKWHMMOSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@]1(O)CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001181073187 1133453425 /nfs/dbraw/zinc/45/34/25/1133453425.db2.gz NMYXYQUVNDFRTK-VXKWHMMOSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@]1(O)CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001181073187 1133453426 /nfs/dbraw/zinc/45/34/26/1133453426.db2.gz NMYXYQUVNDFRTK-VXKWHMMOSA-N 2 1 344.543 3.772 20 0 EHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001181324445 1133479924 /nfs/dbraw/zinc/47/99/24/1133479924.db2.gz QPZPCZUGESZFRP-CALCHBBNSA-N 2 1 326.415 3.611 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001181324445 1133479928 /nfs/dbraw/zinc/47/99/28/1133479928.db2.gz QPZPCZUGESZFRP-CALCHBBNSA-N 2 1 326.415 3.611 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001181324445 1133479931 /nfs/dbraw/zinc/47/99/31/1133479931.db2.gz QPZPCZUGESZFRP-CALCHBBNSA-N 2 1 326.415 3.611 20 0 EHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001181324445 1133479934 /nfs/dbraw/zinc/47/99/34/1133479934.db2.gz QPZPCZUGESZFRP-CALCHBBNSA-N 2 1 326.415 3.611 20 0 EHADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001182235068 1133596022 /nfs/dbraw/zinc/59/60/22/1133596022.db2.gz MPNXPFZKEWDTMD-LJQANCHMSA-N 2 1 347.547 3.554 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@H]2C1 ZINC001184387518 1133933708 /nfs/dbraw/zinc/93/37/08/1133933708.db2.gz LSZOGURFPGHQLJ-VTBJDEEOSA-N 2 1 349.316 3.625 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000774904778 1134114656 /nfs/dbraw/zinc/11/46/56/1134114656.db2.gz WQEMSTBLEVFBDW-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000774904778 1134114660 /nfs/dbraw/zinc/11/46/60/1134114660.db2.gz WQEMSTBLEVFBDW-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000774904778 1134114665 /nfs/dbraw/zinc/11/46/65/1134114665.db2.gz WQEMSTBLEVFBDW-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP COc1ccc([C@H](C)NCC(C)(C)[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000775365005 1134668065 /nfs/dbraw/zinc/66/80/65/1134668065.db2.gz NYOCCHSYOZZLFU-KRWDZBQOSA-N 2 1 347.547 3.672 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[NH+]1CCC(C)CC1 ZINC000775370377 1134674077 /nfs/dbraw/zinc/67/40/77/1134674077.db2.gz URUWNDADHITSER-ZJPYXAASSA-N 2 1 342.618 3.712 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775376411 1134686214 /nfs/dbraw/zinc/68/62/14/1134686214.db2.gz WCEPBSNDMUBCJN-VQHPVUNQSA-N 2 1 328.591 3.610 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000775383093 1134694259 /nfs/dbraw/zinc/69/42/59/1134694259.db2.gz ULPCHERWVXMOGF-MSOLQXFVSA-N 3 1 347.547 3.672 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000775385082 1134696057 /nfs/dbraw/zinc/69/60/57/1134696057.db2.gz IWPPFZGIIIVXKV-KZNAEPCWSA-N 2 1 336.570 3.608 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001170246415 1134722883 /nfs/dbraw/zinc/72/28/83/1134722883.db2.gz UMIQQIZDSVUBJU-DXBBTUNJSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001170246415 1134722887 /nfs/dbraw/zinc/72/28/87/1134722887.db2.gz UMIQQIZDSVUBJU-DXBBTUNJSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001170246415 1134722891 /nfs/dbraw/zinc/72/28/91/1134722891.db2.gz UMIQQIZDSVUBJU-DXBBTUNJSA-N 2 1 342.527 3.788 20 0 EHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)cccc2Br)CC1 ZINC001205558062 1134808032 /nfs/dbraw/zinc/80/80/32/1134808032.db2.gz BHJIPKJXMGHRNK-CQSZACIVSA-N 2 1 349.675 3.755 20 0 EHADMP Cc1ccccc1C(NC[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1C ZINC001193141442 1135108606 /nfs/dbraw/zinc/10/86/06/1135108606.db2.gz IGVXCHQAXFBTNZ-LJQANCHMSA-N 2 1 340.511 3.684 20 0 EHADMP CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001193962708 1135207071 /nfs/dbraw/zinc/20/70/71/1135207071.db2.gz IILZJQFWWMXKDN-NRFANRHFSA-N 2 1 330.516 3.800 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000775692114 1135531329 /nfs/dbraw/zinc/53/13/29/1135531329.db2.gz YDGTWSZUMQOFBC-KBMXLJTQSA-N 2 1 327.299 3.680 20 0 EHADMP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000808170105 1135629800 /nfs/dbraw/zinc/62/98/00/1135629800.db2.gz BPEVZYNZJNJFBI-NQIIRXRSSA-N 2 1 349.563 3.569 20 0 EHADMP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000808170105 1135629801 /nfs/dbraw/zinc/62/98/01/1135629801.db2.gz BPEVZYNZJNJFBI-NQIIRXRSSA-N 2 1 349.563 3.569 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027665 1135767745 /nfs/dbraw/zinc/76/77/45/1135767745.db2.gz RWMHHUFSWQSFEQ-MSOLQXFVSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027665 1135767751 /nfs/dbraw/zinc/76/77/51/1135767751.db2.gz RWMHHUFSWQSFEQ-MSOLQXFVSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027665 1135767755 /nfs/dbraw/zinc/76/77/55/1135767755.db2.gz RWMHHUFSWQSFEQ-MSOLQXFVSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)Oc1cccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001198818699 1135859153 /nfs/dbraw/zinc/85/91/53/1135859153.db2.gz AZGFGCGXOHEBTC-OYRHEFFESA-N 2 1 328.500 3.782 20 0 EHADMP CC(C)Oc1cccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001198818699 1135859157 /nfs/dbraw/zinc/85/91/57/1135859157.db2.gz AZGFGCGXOHEBTC-OYRHEFFESA-N 2 1 328.500 3.782 20 0 EHADMP CC(C)Oc1cccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001198818699 1135859162 /nfs/dbraw/zinc/85/91/62/1135859162.db2.gz AZGFGCGXOHEBTC-OYRHEFFESA-N 2 1 328.500 3.782 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001199907835 1135936189 /nfs/dbraw/zinc/93/61/89/1135936189.db2.gz ZUDNFZRNPOBBST-OAHLLOKOSA-N 2 1 348.437 3.974 20 0 EHADMP C[NH+](C)Cc1cccc(Nc2c[nH+]c3ccc(Br)cn23)c1 ZINC001201393023 1136016243 /nfs/dbraw/zinc/01/62/43/1136016243.db2.gz SIJBALGCIWGIDK-UHFFFAOYSA-N 2 1 345.244 3.902 20 0 EHADMP CCC[C@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201541770 1136034253 /nfs/dbraw/zinc/03/42/53/1136034253.db2.gz GCKRXAQVXKRXAR-ZWKOTPCHSA-N 2 1 334.504 3.771 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001201572407 1136042566 /nfs/dbraw/zinc/04/25/66/1136042566.db2.gz KDXGWFNYAUQNRQ-MSOLQXFVSA-N 2 1 338.536 3.552 20 0 EHADMP CC(C)=CCC[C@@H](C)CCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201983182 1136076493 /nfs/dbraw/zinc/07/64/93/1136076493.db2.gz YFCYFLFHYRUYQB-HXUWFJFHSA-N 2 1 335.580 3.718 20 0 EHADMP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947021 1136077361 /nfs/dbraw/zinc/07/73/61/1136077361.db2.gz PVIUPBWTWBFJBQ-CUXJHESGSA-N 2 1 328.500 3.951 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3COC4(CCC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000850523675 1136277636 /nfs/dbraw/zinc/27/76/36/1136277636.db2.gz NFBNLYXCFXNEPT-JSXRDJHFSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850529966 1136279280 /nfs/dbraw/zinc/27/92/80/1136279280.db2.gz VCGQIAKRLJCBRE-SEPFQZFQSA-N 2 1 336.479 3.665 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850529966 1136279283 /nfs/dbraw/zinc/27/92/83/1136279283.db2.gz VCGQIAKRLJCBRE-SEPFQZFQSA-N 2 1 336.479 3.665 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850529965 1136279364 /nfs/dbraw/zinc/27/93/64/1136279364.db2.gz VCGQIAKRLJCBRE-IDZYALCFSA-N 2 1 336.479 3.665 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850529965 1136279368 /nfs/dbraw/zinc/27/93/68/1136279368.db2.gz VCGQIAKRLJCBRE-IDZYALCFSA-N 2 1 336.479 3.665 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2snnc2C)ccc1OC ZINC000813883126 1136372982 /nfs/dbraw/zinc/37/29/82/1136372982.db2.gz FAYCORDSOMRPJC-CYBMUJFWSA-N 2 1 348.516 3.548 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851802034 1136408245 /nfs/dbraw/zinc/40/82/45/1136408245.db2.gz ASXHSOKCCVUZBN-HOJAQTOUSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851802034 1136408247 /nfs/dbraw/zinc/40/82/47/1136408247.db2.gz ASXHSOKCCVUZBN-HOJAQTOUSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802034 1136408248 /nfs/dbraw/zinc/40/82/48/1136408248.db2.gz ASXHSOKCCVUZBN-HOJAQTOUSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802034 1136408251 /nfs/dbraw/zinc/40/82/51/1136408251.db2.gz ASXHSOKCCVUZBN-HOJAQTOUSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851802035 1136408619 /nfs/dbraw/zinc/40/86/19/1136408619.db2.gz ASXHSOKCCVUZBN-MISYRCLQSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851802035 1136408622 /nfs/dbraw/zinc/40/86/22/1136408622.db2.gz ASXHSOKCCVUZBN-MISYRCLQSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802035 1136408623 /nfs/dbraw/zinc/40/86/23/1136408623.db2.gz ASXHSOKCCVUZBN-MISYRCLQSA-N 2 1 346.515 3.513 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851802035 1136408625 /nfs/dbraw/zinc/40/86/25/1136408625.db2.gz ASXHSOKCCVUZBN-MISYRCLQSA-N 2 1 346.515 3.513 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728308 1136480773 /nfs/dbraw/zinc/48/07/73/1136480773.db2.gz AEELGZWLTGMIJF-MOPGFXCFSA-N 2 1 349.906 3.973 20 0 EHADMP C[N@@H+](Cc1oc2ccccc2c1Br)C1CCC([NH3+])CC1 ZINC000852741477 1136482105 /nfs/dbraw/zinc/48/21/05/1136482105.db2.gz UHHBJBMRMHPRNM-UHFFFAOYSA-N 2 1 337.261 3.897 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170810239 1136667376 /nfs/dbraw/zinc/66/73/76/1136667376.db2.gz AKWAEEDIUVUQOC-PKOBYXMFSA-N 2 1 332.488 3.525 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170854376 1136775330 /nfs/dbraw/zinc/77/53/30/1136775330.db2.gz PEKJWGPJFHOJRK-OFLPRAFFSA-N 2 1 337.305 3.508 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCC(C)CC3)C2)ccn1 ZINC000856552282 1136794044 /nfs/dbraw/zinc/79/40/44/1136794044.db2.gz KWRCDBVGWPPVPP-WIXQSORDSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCC(C)CC3)C2)ccn1 ZINC000856552282 1136794047 /nfs/dbraw/zinc/79/40/47/1136794047.db2.gz KWRCDBVGWPPVPP-WIXQSORDSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCC(C)CC3)C2)ccn1 ZINC000856552282 1136794050 /nfs/dbraw/zinc/79/40/50/1136794050.db2.gz KWRCDBVGWPPVPP-WIXQSORDSA-N 2 1 345.531 3.813 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(C)(C)CC)C2)ccn1 ZINC000856583893 1136797401 /nfs/dbraw/zinc/79/74/01/1136797401.db2.gz SIXOAPZSHCVPQN-LJQANCHMSA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(C)(C)CC)C2)ccn1 ZINC000856583893 1136797403 /nfs/dbraw/zinc/79/74/03/1136797403.db2.gz SIXOAPZSHCVPQN-LJQANCHMSA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(C)(C)CC)C2)ccn1 ZINC000856583893 1136797406 /nfs/dbraw/zinc/79/74/06/1136797406.db2.gz SIXOAPZSHCVPQN-LJQANCHMSA-N 2 1 333.520 3.813 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)nc2Cl)CC1 ZINC000857024988 1136834014 /nfs/dbraw/zinc/83/40/14/1136834014.db2.gz QEMAOMHAUIFODB-HNNXBMFYSA-N 2 1 338.927 3.550 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2Cl)CC1 ZINC000857024988 1136834016 /nfs/dbraw/zinc/83/40/16/1136834016.db2.gz QEMAOMHAUIFODB-HNNXBMFYSA-N 2 1 338.927 3.550 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](O)c1c(F)cccc1Cl ZINC000817919981 1136846068 /nfs/dbraw/zinc/84/60/68/1136846068.db2.gz XYEITMNTZSKEQU-BEGGFCFFSA-N 2 1 334.822 3.635 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000818338816 1136872018 /nfs/dbraw/zinc/87/20/18/1136872018.db2.gz BYBHPQJVZQJQKO-LLVBAIKDSA-N 2 1 342.527 3.692 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1SC(F)(F)F ZINC000818340449 1136872150 /nfs/dbraw/zinc/87/21/50/1136872150.db2.gz MPHWGVRZTXBEDR-VXGBXAGGSA-N 2 1 334.407 3.667 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000819125657 1136916556 /nfs/dbraw/zinc/91/65/56/1136916556.db2.gz GWTYJUDLXMJBOA-RXVVDRJESA-N 2 1 326.484 3.529 20 0 EHADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000858132657 1136942473 /nfs/dbraw/zinc/94/24/73/1136942473.db2.gz ATKIAFBZUIUTOC-YQQQUEKLSA-N 2 1 325.431 3.506 20 0 EHADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000858132657 1136942475 /nfs/dbraw/zinc/94/24/75/1136942475.db2.gz ATKIAFBZUIUTOC-YQQQUEKLSA-N 2 1 325.431 3.506 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000858152847 1136944464 /nfs/dbraw/zinc/94/44/64/1136944464.db2.gz BNKJDDZIULWMOD-APWZRJJASA-N 2 1 327.447 3.611 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000820810708 1137005219 /nfs/dbraw/zinc/00/52/19/1137005219.db2.gz CQDLAVFQYHFSML-MRXNPFEDSA-N 2 1 343.490 3.800 20 0 EHADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc[nH+]c(CN)c3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171028474 1137111757 /nfs/dbraw/zinc/11/17/57/1137111757.db2.gz GJSRTXSGGGVXAA-CHYNRVTJSA-N 2 1 344.547 3.911 20 0 EHADMP Cc1c(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862373646 1137141234 /nfs/dbraw/zinc/14/12/34/1137141234.db2.gz VAAUHRKRRPDCNB-IBGZPJMESA-N 2 1 341.474 3.921 20 0 EHADMP Cc1c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862373646 1137141235 /nfs/dbraw/zinc/14/12/35/1137141235.db2.gz VAAUHRKRRPDCNB-IBGZPJMESA-N 2 1 341.474 3.921 20 0 EHADMP Cc1c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862373646 1137141236 /nfs/dbraw/zinc/14/12/36/1137141236.db2.gz VAAUHRKRRPDCNB-IBGZPJMESA-N 2 1 341.474 3.921 20 0 EHADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1F ZINC001143910663 1137213992 /nfs/dbraw/zinc/21/39/92/1137213992.db2.gz LTHTZYINAQSIFY-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865405235 1137280613 /nfs/dbraw/zinc/28/06/13/1137280613.db2.gz UBEKXVZZQNUDCV-UHFFFAOYSA-N 2 1 339.439 3.665 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866260310 1137340370 /nfs/dbraw/zinc/34/03/70/1137340370.db2.gz UFOIJFWEVCHMNC-IRXDYDNUSA-N 2 1 336.483 3.987 20 0 EHADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866267128 1137340850 /nfs/dbraw/zinc/34/08/50/1137340850.db2.gz XUFXPBQQFSFAMJ-VMRPVKRXSA-N 2 1 346.490 3.682 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866528349 1137361203 /nfs/dbraw/zinc/36/12/03/1137361203.db2.gz XKXLCXTWLFCZNF-GIVPXCGWSA-N 2 1 342.527 3.693 20 0 EHADMP CSc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)c(Cl)nc2c1 ZINC000866674814 1137373472 /nfs/dbraw/zinc/37/34/72/1137373472.db2.gz IJMTYHCADYDYLP-BXUZGUMPSA-N 2 1 335.904 3.637 20 0 EHADMP CSc1ccc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)c(Cl)nc2c1 ZINC000866674814 1137373474 /nfs/dbraw/zinc/37/34/74/1137373474.db2.gz IJMTYHCADYDYLP-BXUZGUMPSA-N 2 1 335.904 3.637 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705357 1137374610 /nfs/dbraw/zinc/37/46/10/1137374610.db2.gz YLPKAPSLNOFRQW-KKSFZXQISA-N 2 1 345.531 3.834 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705357 1137374611 /nfs/dbraw/zinc/37/46/11/1137374611.db2.gz YLPKAPSLNOFRQW-KKSFZXQISA-N 2 1 345.531 3.834 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)c2cc1C ZINC000866706627 1137374856 /nfs/dbraw/zinc/37/48/56/1137374856.db2.gz JBVAIHVWSQUNCN-NRFANRHFSA-N 2 1 342.483 3.607 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000866705796 1137374955 /nfs/dbraw/zinc/37/49/55/1137374955.db2.gz BKGLXKLHXRSATR-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000866705796 1137374956 /nfs/dbraw/zinc/37/49/56/1137374956.db2.gz BKGLXKLHXRSATR-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705785 1137375029 /nfs/dbraw/zinc/37/50/29/1137375029.db2.gz BEFMIHSZWQVWCT-SFHVURJKSA-N 2 1 333.501 3.908 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705785 1137375030 /nfs/dbraw/zinc/37/50/30/1137375030.db2.gz BEFMIHSZWQVWCT-SFHVURJKSA-N 2 1 333.501 3.908 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282744645 1137444943 /nfs/dbraw/zinc/44/49/43/1137444943.db2.gz NKOWDZDYJITKKF-HZEGPAAWSA-N 2 1 330.516 3.692 20 0 EHADMP [NH3+]C1(CC2CCC2)CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171353867 1137456757 /nfs/dbraw/zinc/45/67/57/1137456757.db2.gz ISNOARBERGSGED-QGZVFWFLSA-N 2 1 334.454 3.806 20 0 EHADMP [NH3+]C1(c2ccccc2)CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171357080 1137457103 /nfs/dbraw/zinc/45/71/03/1137457103.db2.gz HMKWHAJRZAGCCY-GOSISDBHSA-N 2 1 342.433 3.772 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716680086 1137488396 /nfs/dbraw/zinc/48/83/96/1137488396.db2.gz FRJKPILWMMPEFL-HAGHYFMRSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629875 1137499889 /nfs/dbraw/zinc/49/98/89/1137499889.db2.gz XWKJBZNKDMLNRH-XLIONFOSSA-N 2 1 343.559 3.748 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629875 1137499890 /nfs/dbraw/zinc/49/98/90/1137499890.db2.gz XWKJBZNKDMLNRH-XLIONFOSSA-N 2 1 343.559 3.748 20 0 EHADMP COc1ccccc1O[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171638144 1137504836 /nfs/dbraw/zinc/50/48/36/1137504836.db2.gz UFPDIVVYWOWHDI-KRWDZBQOSA-N 2 1 346.515 3.800 20 0 EHADMP COc1ccc2c(c1)c(C[NH3+])cn2[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733474 1137504981 /nfs/dbraw/zinc/50/49/81/1137504981.db2.gz TWHPBWNDHNFRCU-VQIMIIECSA-N 2 1 349.478 3.944 20 0 EHADMP C[C@@H]1C[C@H](n2c3ccccc3c3c2C[C@H]([NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC001171732696 1137507257 /nfs/dbraw/zinc/50/72/57/1137507257.db2.gz LGONQEGRBGDIJG-QRQLOZEOSA-N 2 1 345.490 3.903 20 0 EHADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171962453 1137519698 /nfs/dbraw/zinc/51/96/98/1137519698.db2.gz DBXNVPSSCMGYCN-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962453 1137519699 /nfs/dbraw/zinc/51/96/99/1137519699.db2.gz DBXNVPSSCMGYCN-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962453 1137519701 /nfs/dbraw/zinc/51/97/01/1137519701.db2.gz DBXNVPSSCMGYCN-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171932308 1137521408 /nfs/dbraw/zinc/52/14/08/1137521408.db2.gz CARLXZTYWILHGC-UHFFFAOYSA-N 2 1 326.525 3.551 20 0 EHADMP CC1(C)C[C@H]([NH+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988963 1137522445 /nfs/dbraw/zinc/52/24/45/1137522445.db2.gz YAZLORNAKSJMHN-CRSSMBPESA-N 2 1 340.511 3.539 20 0 EHADMP CC1(C)C[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988963 1137522447 /nfs/dbraw/zinc/52/24/47/1137522447.db2.gz YAZLORNAKSJMHN-CRSSMBPESA-N 2 1 340.511 3.539 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988963 1137522448 /nfs/dbraw/zinc/52/24/48/1137522448.db2.gz YAZLORNAKSJMHN-CRSSMBPESA-N 2 1 340.511 3.539 20 0 EHADMP CCCO[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985560 1137527330 /nfs/dbraw/zinc/52/73/30/1137527330.db2.gz XWRHYCKRRVVUEI-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985560 1137527331 /nfs/dbraw/zinc/52/73/31/1137527331.db2.gz XWRHYCKRRVVUEI-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985560 1137527332 /nfs/dbraw/zinc/52/73/32/1137527332.db2.gz XWRHYCKRRVVUEI-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP C[N@@H+](CCc1cccnc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986270 1137527393 /nfs/dbraw/zinc/52/73/93/1137527393.db2.gz GMUQFDIDVKKLCA-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986270 1137527394 /nfs/dbraw/zinc/52/73/94/1137527394.db2.gz GMUQFDIDVKKLCA-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986270 1137527395 /nfs/dbraw/zinc/52/73/95/1137527395.db2.gz GMUQFDIDVKKLCA-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH2+]CCN([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC001172086445 1137532142 /nfs/dbraw/zinc/53/21/42/1137532142.db2.gz GEHGLBGUXXPHSE-WKCHPHFGSA-N 2 1 343.559 3.892 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001172098850 1137532549 /nfs/dbraw/zinc/53/25/49/1137532549.db2.gz GUDBEPCKZKRLEE-QKDCVEJESA-N 2 1 346.368 3.829 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001172098850 1137532551 /nfs/dbraw/zinc/53/25/51/1137532551.db2.gz GUDBEPCKZKRLEE-QKDCVEJESA-N 2 1 346.368 3.829 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001172065416 1137533585 /nfs/dbraw/zinc/53/35/85/1137533585.db2.gz MNFBPYNNUXPEOS-IYWMVGAKSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069928 1137535023 /nfs/dbraw/zinc/53/50/23/1137535023.db2.gz VXVIYLZHEFIBPC-PBASOCQRSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069928 1137535025 /nfs/dbraw/zinc/53/50/25/1137535025.db2.gz VXVIYLZHEFIBPC-PBASOCQRSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001172069928 1137535027 /nfs/dbraw/zinc/53/50/27/1137535027.db2.gz VXVIYLZHEFIBPC-PBASOCQRSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001172069928 1137535029 /nfs/dbraw/zinc/53/50/29/1137535029.db2.gz VXVIYLZHEFIBPC-PBASOCQRSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069730 1137535182 /nfs/dbraw/zinc/53/51/82/1137535182.db2.gz UCWCWPAHGOOGPF-ZQONDGBOSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069730 1137535184 /nfs/dbraw/zinc/53/51/84/1137535184.db2.gz UCWCWPAHGOOGPF-ZQONDGBOSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069730 1137535185 /nfs/dbraw/zinc/53/51/85/1137535185.db2.gz UCWCWPAHGOOGPF-ZQONDGBOSA-N 2 1 341.543 3.597 20 0 EHADMP c1csc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172069825 1137535224 /nfs/dbraw/zinc/53/52/24/1137535224.db2.gz XWJMQQTYBQCRKS-LDLYASANSA-N 2 1 341.524 3.861 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001206156976 1137536887 /nfs/dbraw/zinc/53/68/87/1137536887.db2.gz UXWKVGJRRVWUFB-UXHICEINSA-N 2 1 328.431 3.527 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC001172108105 1137537038 /nfs/dbraw/zinc/53/70/38/1137537038.db2.gz PROBUIHRZWOFKD-NUZGMZIFSA-N 2 1 338.499 3.594 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Cl)CCOCC1)C2 ZINC001172111242 1137537507 /nfs/dbraw/zinc/53/75/07/1137537507.db2.gz OQBNJKHUVOURKI-OSYLJGHBSA-N 2 1 348.918 3.951 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)cn1 ZINC001172112412 1137537544 /nfs/dbraw/zinc/53/75/44/1137537544.db2.gz VXFOAHWGMXYUES-NGFQHRJXSA-N 2 1 338.293 3.510 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC001172112412 1137537546 /nfs/dbraw/zinc/53/75/46/1137537546.db2.gz VXFOAHWGMXYUES-NGFQHRJXSA-N 2 1 338.293 3.510 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(C[NH3+])cc1C(F)(F)F)C2 ZINC001172113459 1137537726 /nfs/dbraw/zinc/53/77/26/1137537726.db2.gz DECVDAFQFMZFGQ-ZSOGYDGISA-N 2 1 327.394 3.591 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112465 1137537900 /nfs/dbraw/zinc/53/79/00/1137537900.db2.gz XFHDFKZQBWRBTO-MXEMCNAFSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112465 1137537902 /nfs/dbraw/zinc/53/79/02/1137537902.db2.gz XFHDFKZQBWRBTO-MXEMCNAFSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001172112356 1137537961 /nfs/dbraw/zinc/53/79/61/1137537961.db2.gz VPRQEKBPGWDRNU-OWZKRDHZSA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001172112356 1137537962 /nfs/dbraw/zinc/53/79/62/1137537962.db2.gz VPRQEKBPGWDRNU-OWZKRDHZSA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccc1F)C2 ZINC001172118171 1137538161 /nfs/dbraw/zinc/53/81/61/1137538161.db2.gz PCSNXCZQHAUJRL-MUJYYYPQSA-N 2 1 344.396 3.992 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC001172293779 1137548495 /nfs/dbraw/zinc/54/84/95/1137548495.db2.gz RSFPVTBBTPERCE-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293779 1137548496 /nfs/dbraw/zinc/54/84/96/1137548496.db2.gz RSFPVTBBTPERCE-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293779 1137548498 /nfs/dbraw/zinc/54/84/98/1137548498.db2.gz RSFPVTBBTPERCE-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C[C@H]1C ZINC001172373530 1137549355 /nfs/dbraw/zinc/54/93/55/1137549355.db2.gz AHYSHJZFRGRGAC-GGPKGHCWSA-N 2 1 344.547 3.675 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCOC1 ZINC000872025225 1137565668 /nfs/dbraw/zinc/56/56/68/1137565668.db2.gz IMDVXOGVNWDGIK-TZIWHRDSSA-N 2 1 330.516 3.754 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCOC1 ZINC000872025224 1137565750 /nfs/dbraw/zinc/56/57/50/1137565750.db2.gz IMDVXOGVNWDGIK-PZJWPPBQSA-N 2 1 330.516 3.754 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCCC2 ZINC000872076817 1137570006 /nfs/dbraw/zinc/57/00/06/1137570006.db2.gz SVCRREKQDHHYAN-RGPMPMONSA-N 2 1 344.499 3.686 20 0 EHADMP Brc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000872107387 1137571508 /nfs/dbraw/zinc/57/15/08/1137571508.db2.gz QBXLTCNGEHEUNK-DLBZAZTESA-N 2 1 349.316 3.697 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000872137687 1137573754 /nfs/dbraw/zinc/57/37/54/1137573754.db2.gz QQICOBCLCDPLQR-YADHBBJMSA-N 2 1 338.495 3.753 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000872149433 1137574105 /nfs/dbraw/zinc/57/41/05/1137574105.db2.gz NMAKOBBLEGFAGB-ZWNOBZJWSA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000872149433 1137574106 /nfs/dbraw/zinc/57/41/06/1137574106.db2.gz NMAKOBBLEGFAGB-ZWNOBZJWSA-N 2 1 338.826 3.501 20 0 EHADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158140 1137574176 /nfs/dbraw/zinc/57/41/76/1137574176.db2.gz XBHNXVIAYLADJP-PKOBYXMFSA-N 2 1 343.515 3.553 20 0 EHADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158139 1137574182 /nfs/dbraw/zinc/57/41/82/1137574182.db2.gz XBHNXVIAYLADJP-MJGOQNOKSA-N 2 1 343.515 3.553 20 0 EHADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000872157318 1137574305 /nfs/dbraw/zinc/57/43/05/1137574305.db2.gz KADOYSCETJZRIK-FUHWJXTLSA-N 2 1 334.529 3.565 20 0 EHADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232310 1137594504 /nfs/dbraw/zinc/59/45/04/1137594504.db2.gz PDGWYPXLJWZLIQ-HOCLYGCPSA-N 2 1 338.927 3.502 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232310 1137594505 /nfs/dbraw/zinc/59/45/05/1137594505.db2.gz PDGWYPXLJWZLIQ-HOCLYGCPSA-N 2 1 338.927 3.502 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876719074 1137659629 /nfs/dbraw/zinc/65/96/29/1137659629.db2.gz CHVPCQDCQAGZQR-YWBNETDUSA-N 2 1 341.499 3.555 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876915940 1137665332 /nfs/dbraw/zinc/66/53/32/1137665332.db2.gz FHUVLJKEJQWPFM-NSHDSACASA-N 2 1 334.876 3.881 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1F ZINC000876970889 1137666659 /nfs/dbraw/zinc/66/66/59/1137666659.db2.gz FPPCKDZVIWYUEO-LBPRGKRZSA-N 2 1 328.218 3.603 20 0 EHADMP COc1c(C)cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000877144264 1137671446 /nfs/dbraw/zinc/67/14/46/1137671446.db2.gz JDZGANVHBHUCMT-UHFFFAOYSA-N 2 1 339.483 3.593 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)CC1 ZINC000877497079 1137678504 /nfs/dbraw/zinc/67/85/04/1137678504.db2.gz DSGOKEZCWHWLLL-UHFFFAOYSA-N 2 1 345.437 3.821 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741772 1137687768 /nfs/dbraw/zinc/68/77/68/1137687768.db2.gz NNBNWEWPEGDIHF-OMCKNOPTSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741772 1137687769 /nfs/dbraw/zinc/68/77/69/1137687769.db2.gz NNBNWEWPEGDIHF-OMCKNOPTSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741772 1137687770 /nfs/dbraw/zinc/68/77/70/1137687770.db2.gz NNBNWEWPEGDIHF-OMCKNOPTSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741772 1137687771 /nfs/dbraw/zinc/68/77/71/1137687771.db2.gz NNBNWEWPEGDIHF-OMCKNOPTSA-N 2 1 336.426 3.717 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000878662016 1137724261 /nfs/dbraw/zinc/72/42/61/1137724261.db2.gz KFQZNHALPGLHDZ-PWRODBHTSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000878662016 1137724262 /nfs/dbraw/zinc/72/42/62/1137724262.db2.gz KFQZNHALPGLHDZ-PWRODBHTSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)C2 ZINC000878662016 1137724263 /nfs/dbraw/zinc/72/42/63/1137724263.db2.gz KFQZNHALPGLHDZ-PWRODBHTSA-N 2 1 328.500 3.715 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883228462 1137849547 /nfs/dbraw/zinc/84/95/47/1137849547.db2.gz NDKRMSGGGOIMRH-OXJNMPFZSA-N 2 1 334.479 3.615 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCOC1 ZINC000883351942 1137856988 /nfs/dbraw/zinc/85/69/88/1137856988.db2.gz OVIGWLVPTDNYGV-WIYYLYMNSA-N 2 1 348.506 3.627 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC4(CCC4)O2)C3)cc1 ZINC000883357096 1137857388 /nfs/dbraw/zinc/85/73/88/1137857388.db2.gz CSGBZDFEUYWBKJ-BURNTYAHSA-N 2 1 340.511 3.873 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357016 1137857427 /nfs/dbraw/zinc/85/74/27/1137857427.db2.gz BAYMQGQKIMVUAV-WOJBJXKFSA-N 2 1 340.511 3.875 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357016 1137857428 /nfs/dbraw/zinc/85/74/28/1137857428.db2.gz BAYMQGQKIMVUAV-WOJBJXKFSA-N 2 1 340.511 3.875 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC000883365415 1137857725 /nfs/dbraw/zinc/85/77/25/1137857725.db2.gz APDNMKNGFCSGJV-BEVDRBHNSA-N 2 1 325.456 3.933 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883366480 1137857838 /nfs/dbraw/zinc/85/78/38/1137857838.db2.gz UJHZSDGUGWOKKA-KCLUMXDGSA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)O2)cc1 ZINC000883429154 1137860390 /nfs/dbraw/zinc/86/03/90/1137860390.db2.gz NCZVYOQHUJNAPL-MHTWAQMVSA-N 2 1 328.500 3.618 20 0 EHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000112517284 1137908228 /nfs/dbraw/zinc/90/82/28/1137908228.db2.gz UGWKDOWCHWEUER-JOCHJYFZSA-N 2 1 336.479 3.686 20 0 EHADMP COc1cccc(C[C@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)c1 ZINC000121443366 1137957798 /nfs/dbraw/zinc/95/77/98/1137957798.db2.gz QOZIEDVSTXMBGG-FQEVSTJZSA-N 2 1 327.472 3.591 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000885922917 1138024759 /nfs/dbraw/zinc/02/47/59/1138024759.db2.gz LOGXDZHAGFJFFH-HNNXBMFYSA-N 2 1 326.488 3.548 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000885923902 1138025030 /nfs/dbraw/zinc/02/50/30/1138025030.db2.gz DSBNWGUQINGHDX-UHFFFAOYSA-N 2 1 347.890 3.745 20 0 EHADMP COCC1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886627281 1138103777 /nfs/dbraw/zinc/10/37/77/1138103777.db2.gz XTRDXKXBGGMSBF-GBOYVHCVSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)[nH+]c1C ZINC000886659633 1138109888 /nfs/dbraw/zinc/10/98/88/1138109888.db2.gz REQGJMQUFXHNHY-UHFFFAOYSA-N 2 1 347.466 3.863 20 0 EHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886660885 1138110234 /nfs/dbraw/zinc/11/02/34/1138110234.db2.gz HZWQCJRMCRCDJH-QGZVFWFLSA-N 2 1 333.863 3.593 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093692734 1138239777 /nfs/dbraw/zinc/23/97/77/1138239777.db2.gz VIOGYJHNZRAMNO-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000093692734 1138239779 /nfs/dbraw/zinc/23/97/79/1138239779.db2.gz VIOGYJHNZRAMNO-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000282976917 1138247219 /nfs/dbraw/zinc/24/72/19/1138247219.db2.gz DNMSIZIIDRFXKO-YSSFQJQWSA-N 2 1 332.451 3.858 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000123563133 1138271263 /nfs/dbraw/zinc/27/12/63/1138271263.db2.gz VZGFGGWHVAILHY-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1Cl ZINC000128642748 1138394913 /nfs/dbraw/zinc/39/49/13/1138394913.db2.gz JMUWNACXDDHHKC-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP Cc1[nH+]ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000336935918 1138430871 /nfs/dbraw/zinc/43/08/71/1138430871.db2.gz UGNLMGGTXNOZSZ-AWEZNQCLSA-N 2 1 330.863 3.960 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000131440954 1138518346 /nfs/dbraw/zinc/51/83/46/1138518346.db2.gz ALIVDSJNDDRIEQ-AWEZNQCLSA-N 2 1 332.517 3.896 20 0 EHADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337403411 1138557877 /nfs/dbraw/zinc/55/78/77/1138557877.db2.gz SEZUQJCVZPIQTJ-QGZVFWFLSA-N 2 1 349.482 3.555 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000337431984 1138567390 /nfs/dbraw/zinc/56/73/90/1138567390.db2.gz FYOUCPGTHIEVQP-SFHVURJKSA-N 2 1 339.483 3.786 20 0 EHADMP CC(C)[NH2+]C1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000264954671 1138685292 /nfs/dbraw/zinc/68/52/92/1138685292.db2.gz LUGPCSMNZOVVLF-UHFFFAOYSA-N 2 1 348.288 3.964 20 0 EHADMP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000338236184 1138797609 /nfs/dbraw/zinc/79/76/09/1138797609.db2.gz JWWALLJSAYGOBS-ZDUSSCGKSA-N 2 1 348.491 3.679 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000177212983 1139604738 /nfs/dbraw/zinc/60/47/38/1139604738.db2.gz NAPNJVYUUHQZHM-LJQANCHMSA-N 2 1 339.527 3.908 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000178047521 1139665806 /nfs/dbraw/zinc/66/58/06/1139665806.db2.gz NOJRDPLQBWYZNX-IRXDYDNUSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000178563835 1139704741 /nfs/dbraw/zinc/70/47/41/1139704741.db2.gz CHUHQSQLTTUZMZ-AWEZNQCLSA-N 2 1 339.414 3.663 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179233685 1139743860 /nfs/dbraw/zinc/74/38/60/1139743860.db2.gz ZRJCAEYQTCVMIS-JTQLQIEISA-N 2 1 343.294 3.542 20 0 EHADMP CCOCc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000179940750 1139794141 /nfs/dbraw/zinc/79/41/41/1139794141.db2.gz YPWSEDZOPPORPE-IBGZPJMESA-N 2 1 346.515 3.540 20 0 EHADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000179940750 1139794147 /nfs/dbraw/zinc/79/41/47/1139794147.db2.gz YPWSEDZOPPORPE-IBGZPJMESA-N 2 1 346.515 3.540 20 0 EHADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000180363559 1139830077 /nfs/dbraw/zinc/83/00/77/1139830077.db2.gz LOWHAYIVPODPIN-FQEVSTJZSA-N 2 1 338.499 3.537 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000180363559 1139830084 /nfs/dbraw/zinc/83/00/84/1139830084.db2.gz LOWHAYIVPODPIN-FQEVSTJZSA-N 2 1 338.499 3.537 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1F ZINC000180960558 1139875129 /nfs/dbraw/zinc/87/51/29/1139875129.db2.gz BYXVJEORHJLFAE-ZCNNSNEGSA-N 2 1 334.479 3.634 20 0 EHADMP c1ccc(COCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000182554054 1139979760 /nfs/dbraw/zinc/97/97/60/1139979760.db2.gz YUJQYZRJVZHCQG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(COCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000182554054 1139979762 /nfs/dbraw/zinc/97/97/62/1139979762.db2.gz YUJQYZRJVZHCQG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(COCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000182554054 1139979765 /nfs/dbraw/zinc/97/97/65/1139979765.db2.gz YUJQYZRJVZHCQG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132229 1140015435 /nfs/dbraw/zinc/01/54/35/1140015435.db2.gz HVCCQZSUIYAWEF-GIVPXCGWSA-N 2 1 339.483 3.682 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132229 1140015440 /nfs/dbraw/zinc/01/54/40/1140015440.db2.gz HVCCQZSUIYAWEF-GIVPXCGWSA-N 2 1 339.483 3.682 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155551 1140017022 /nfs/dbraw/zinc/01/70/22/1140017022.db2.gz XGWPKTBSLCFYLG-WOZUAGRISA-N 2 1 342.527 3.834 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000183194670 1140020069 /nfs/dbraw/zinc/02/00/69/1140020069.db2.gz GTPICYXHHVJPAT-LDBYXDLTSA-N 2 1 328.500 3.925 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000184581370 1140109729 /nfs/dbraw/zinc/10/97/29/1140109729.db2.gz ZORXLVBPGLUJAU-YPAWHYETSA-N 2 1 336.479 3.603 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000186999617 1140232108 /nfs/dbraw/zinc/23/21/08/1140232108.db2.gz JTNHTYYSCVCOCH-QFIPXVFZSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)CCO1 ZINC000190935091 1140426273 /nfs/dbraw/zinc/42/62/73/1140426273.db2.gz JDNRQCXSXKOVFF-OXQOHEQNSA-N 2 1 340.467 3.668 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000192620800 1140540421 /nfs/dbraw/zinc/54/04/21/1140540421.db2.gz WBVKDKFQCBBTND-IHWFROFDSA-N 2 1 347.934 3.519 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccnn1C ZINC000192670760 1140543330 /nfs/dbraw/zinc/54/33/30/1140543330.db2.gz RVTVLZVYAJDBGZ-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccnn1C ZINC000192676124 1140543681 /nfs/dbraw/zinc/54/36/81/1140543681.db2.gz JURCNWVCDCNQTG-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268748465 1140982813 /nfs/dbraw/zinc/98/28/13/1140982813.db2.gz STNDQZPWHXARDH-MRXNPFEDSA-N 2 1 334.508 3.599 20 0 EHADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000268872289 1141015075 /nfs/dbraw/zinc/01/50/75/1141015075.db2.gz VRRCXKWOWCXHFL-QGZVFWFLSA-N 2 1 345.314 3.881 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269008678 1141045804 /nfs/dbraw/zinc/04/58/04/1141045804.db2.gz MDZSLIKCJCVEMK-RZQQEMMASA-N 2 1 341.499 3.865 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269008678 1141045810 /nfs/dbraw/zinc/04/58/10/1141045810.db2.gz MDZSLIKCJCVEMK-RZQQEMMASA-N 2 1 341.499 3.865 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000269036967 1141052895 /nfs/dbraw/zinc/05/28/95/1141052895.db2.gz VRSCBPKZGBAAQV-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000269111249 1141066943 /nfs/dbraw/zinc/06/69/43/1141066943.db2.gz VTDIHRVKSWLKIH-WLRLJWMZSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000269111249 1141066950 /nfs/dbraw/zinc/06/69/50/1141066950.db2.gz VTDIHRVKSWLKIH-WLRLJWMZSA-N 2 1 329.532 3.502 20 0 EHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(C2CC2)o1 ZINC000271296953 1141341459 /nfs/dbraw/zinc/34/14/59/1141341459.db2.gz DLQCZQWZIXRTGC-UHFFFAOYSA-N 2 1 340.471 3.686 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(C2CC2)o1 ZINC000271296953 1141341464 /nfs/dbraw/zinc/34/14/64/1141341464.db2.gz DLQCZQWZIXRTGC-UHFFFAOYSA-N 2 1 340.471 3.686 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271511754 1141384579 /nfs/dbraw/zinc/38/45/79/1141384579.db2.gz NVZOXWLMXFTEKW-ZYSHUDEJSA-N 2 1 342.483 3.770 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000271536647 1141390650 /nfs/dbraw/zinc/39/06/50/1141390650.db2.gz XSZLWOAPOLNJPX-JLTOFOAXSA-N 2 1 339.414 3.704 20 0 EHADMP CCc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348636541 1141558783 /nfs/dbraw/zinc/55/87/83/1141558783.db2.gz RDPLRSVWAZFRAN-JOCHJYFZSA-N 2 1 335.495 3.742 20 0 EHADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348645053 1141561099 /nfs/dbraw/zinc/56/10/99/1141561099.db2.gz OBAFWIUTBNTTPO-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645053 1141561104 /nfs/dbraw/zinc/56/11/04/1141561104.db2.gz OBAFWIUTBNTTPO-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2c1cccc2C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348645053 1141561109 /nfs/dbraw/zinc/56/11/09/1141561109.db2.gz OBAFWIUTBNTTPO-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP CC[N@@H+](CCCc1ccc(C)nc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348965586 1141616855 /nfs/dbraw/zinc/61/68/55/1141616855.db2.gz MQERPYVSPRWMCS-UHFFFAOYSA-N 2 1 325.500 3.906 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000349063787 1141632433 /nfs/dbraw/zinc/63/24/33/1141632433.db2.gz RPBVQSRWKBUEDS-UHFFFAOYSA-N 2 1 348.450 3.694 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Br)c1 ZINC000019912854 212083258 /nfs/dbraw/zinc/08/32/58/212083258.db2.gz YUTGELOFVAFISQ-AWEZNQCLSA-N 2 1 325.294 3.803 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Br)c1 ZINC000019912854 212083260 /nfs/dbraw/zinc/08/32/60/212083260.db2.gz YUTGELOFVAFISQ-AWEZNQCLSA-N 2 1 325.294 3.803 20 0 EHADMP Brc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648919 518211485 /nfs/dbraw/zinc/21/14/85/518211485.db2.gz QYUPJRXWFVPSOD-KTAKPFMOSA-N 2 1 349.316 3.769 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC001165037939 721898396 /nfs/dbraw/zinc/89/83/96/721898396.db2.gz OKHBIQSYINYEOC-RTBURBONSA-N 2 1 330.520 3.549 20 0 EHADMP C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424368 1014400383 /nfs/dbraw/zinc/40/03/83/1014400383.db2.gz YPQMQEFAGRXTTI-WBVHZDCISA-N 2 1 330.451 3.536 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424368 1014400397 /nfs/dbraw/zinc/40/03/97/1014400397.db2.gz YPQMQEFAGRXTTI-WBVHZDCISA-N 2 1 330.451 3.536 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000536668116 1032092461 /nfs/dbraw/zinc/09/24/61/1032092461.db2.gz ZBTGLCZBUUQIAU-QZTJIDSGSA-N 2 1 329.532 3.695 20 0 EHADMP C[N@H+](Cc1cnc(CCc2ccccc2)s1)CC1CC[NH+](C)CC1 ZINC000449023396 1032096237 /nfs/dbraw/zinc/09/62/37/1032096237.db2.gz QIBSCXPYXXETOA-UHFFFAOYSA-N 2 1 343.540 3.702 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000530460142 1014588987 /nfs/dbraw/zinc/58/89/87/1014588987.db2.gz HWUQHSRTXRGYJA-VXGBXAGGSA-N 2 1 342.270 3.715 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093268 1014989056 /nfs/dbraw/zinc/98/90/56/1014989056.db2.gz QEFCOJPUWURGBF-KCQAQPDRSA-N 2 1 330.394 3.761 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093268 1014989062 /nfs/dbraw/zinc/98/90/62/1014989062.db2.gz QEFCOJPUWURGBF-KCQAQPDRSA-N 2 1 330.394 3.761 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000375595798 1015172677 /nfs/dbraw/zinc/17/26/77/1015172677.db2.gz GDLCIBJDYAMKGP-VDZCTEQFSA-N 2 1 341.543 3.580 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000579863728 1015458183 /nfs/dbraw/zinc/45/81/83/1015458183.db2.gz MOWFADBLGSMQPC-AWEZNQCLSA-N 2 1 334.410 3.825 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000579863728 1015458194 /nfs/dbraw/zinc/45/81/94/1015458194.db2.gz MOWFADBLGSMQPC-AWEZNQCLSA-N 2 1 334.410 3.825 20 0 EHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1 ZINC000404174890 1015554630 /nfs/dbraw/zinc/55/46/30/1015554630.db2.gz RNHMSPUIGSDJSJ-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1 ZINC000404174890 1015554636 /nfs/dbraw/zinc/55/46/36/1015554636.db2.gz RNHMSPUIGSDJSJ-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1 ZINC000404174890 1015554645 /nfs/dbraw/zinc/55/46/45/1015554645.db2.gz RNHMSPUIGSDJSJ-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1 ZINC000404174890 1015554654 /nfs/dbraw/zinc/55/46/54/1015554654.db2.gz RNHMSPUIGSDJSJ-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1 ZINC000404174890 1015554661 /nfs/dbraw/zinc/55/46/61/1015554661.db2.gz RNHMSPUIGSDJSJ-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278722516 1032135062 /nfs/dbraw/zinc/13/50/62/1032135062.db2.gz MHXHEXPHKORASN-LTLOCAGFSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)CC[N@H+]1C ZINC000155054092 1016087403 /nfs/dbraw/zinc/08/74/03/1016087403.db2.gz FJKGVRHYOSSANQ-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000610250486 1016252492 /nfs/dbraw/zinc/25/24/92/1016252492.db2.gz SZKAJJHXDUYAGQ-LPHOPBHVSA-N 2 1 335.923 3.501 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000155200259 1016298036 /nfs/dbraw/zinc/29/80/36/1016298036.db2.gz WVICIJAORVAGAR-QFBILLFUSA-N 2 1 349.950 3.624 20 0 EHADMP C[C@@H]1c2cccn2CC[NH+]1CCCCC[N@H+]1CCn2cccc2[C@H]1C ZINC000247049183 1016356492 /nfs/dbraw/zinc/35/64/92/1016356492.db2.gz QQKPIRQIPZKBLM-RTBURBONSA-N 2 1 340.515 3.913 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000106366949 1016470197 /nfs/dbraw/zinc/47/01/97/1016470197.db2.gz KXCSSUNUDXDVRH-KRWDZBQOSA-N 2 1 349.316 3.523 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000275399831 1016696920 /nfs/dbraw/zinc/69/69/20/1016696920.db2.gz CKPWYKPFZMKNHF-CHWSQXEVSA-N 2 1 334.261 3.559 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)CC1 ZINC001204483170 1016871202 /nfs/dbraw/zinc/87/12/02/1016871202.db2.gz MLWJFRLGGVDVAA-UHFFFAOYSA-N 2 1 330.369 3.762 20 0 EHADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)on1 ZINC000924596894 1017036182 /nfs/dbraw/zinc/03/61/82/1017036182.db2.gz ACUUDKXDGJYWDC-INIZCTEOSA-N 2 1 343.471 3.766 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695740 1032154447 /nfs/dbraw/zinc/15/44/47/1032154447.db2.gz NFRHZJJSZOXPTD-KRWDZBQOSA-N 2 1 328.500 3.564 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695740 1032154461 /nfs/dbraw/zinc/15/44/61/1032154461.db2.gz NFRHZJJSZOXPTD-KRWDZBQOSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695740 1032154469 /nfs/dbraw/zinc/15/44/69/1032154469.db2.gz NFRHZJJSZOXPTD-KRWDZBQOSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695740 1032154478 /nfs/dbraw/zinc/15/44/78/1032154478.db2.gz NFRHZJJSZOXPTD-KRWDZBQOSA-N 2 1 328.500 3.564 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449072682 1032159833 /nfs/dbraw/zinc/15/98/33/1032159833.db2.gz GFZQRYKLZCAQCZ-CHWSQXEVSA-N 2 1 343.298 3.835 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449109113 1032190879 /nfs/dbraw/zinc/19/08/79/1032190879.db2.gz UWQSZYTZZDJPNK-NSHDSACASA-N 2 1 325.428 3.518 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449091386 1032196150 /nfs/dbraw/zinc/19/61/50/1032196150.db2.gz QFWNVLXAQIHURL-HZSPNIEDSA-N 2 1 343.298 3.977 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000449093463 1032198418 /nfs/dbraw/zinc/19/84/18/1032198418.db2.gz XKKSLJZKEJACCD-OLZOCXBDSA-N 2 1 349.450 3.805 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000449093463 1032198429 /nfs/dbraw/zinc/19/84/29/1032198429.db2.gz XKKSLJZKEJACCD-OLZOCXBDSA-N 2 1 349.450 3.805 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400877 1032230041 /nfs/dbraw/zinc/23/00/41/1032230041.db2.gz RUAPAVAGRKJATD-MRXNPFEDSA-N 2 1 347.528 3.537 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400877 1032230061 /nfs/dbraw/zinc/23/00/61/1032230061.db2.gz RUAPAVAGRKJATD-MRXNPFEDSA-N 2 1 347.528 3.537 20 0 EHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000183955162 1032246453 /nfs/dbraw/zinc/24/64/53/1032246453.db2.gz SWRUHWGWTGAZPP-KRWDZBQOSA-N 2 1 343.515 3.586 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[C@H]1c1cccs1 ZINC000449159566 1032260971 /nfs/dbraw/zinc/26/09/71/1032260971.db2.gz HHVKSXYREOBNTG-RYRKJORJSA-N 2 1 334.529 3.822 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[C@H]1c1cccs1 ZINC000449159566 1032260964 /nfs/dbraw/zinc/26/09/64/1032260964.db2.gz HHVKSXYREOBNTG-RYRKJORJSA-N 2 1 334.529 3.822 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000151865336 1032344999 /nfs/dbraw/zinc/34/49/99/1032344999.db2.gz NIJRZKZOJSNMIV-IRXDYDNUSA-N 2 1 326.488 3.706 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000449239928 1032376309 /nfs/dbraw/zinc/37/63/09/1032376309.db2.gz LWVOVPSNIADTFM-ZSYZGHEHSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1nc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)o1 ZINC000628200997 1032380444 /nfs/dbraw/zinc/38/04/44/1032380444.db2.gz LRSMSDCKVXBWDF-UHFFFAOYSA-N 2 1 327.472 3.813 20 0 EHADMP c1[nH+]c(C2CC[NH+](Cc3cc4cccnc4o3)CC2)n2c1CCCC2 ZINC000449291169 1032432879 /nfs/dbraw/zinc/43/28/79/1032432879.db2.gz JSJLWBTWDBOECH-UHFFFAOYSA-N 2 1 336.439 3.740 20 0 EHADMP C[N@@H+](CCCn1ccnc1)Cc1cnc(-c2ccccc2F)s1 ZINC000449326075 1032437756 /nfs/dbraw/zinc/43/77/56/1032437756.db2.gz SCOAVRDOTPYHTK-UHFFFAOYSA-N 2 1 330.432 3.668 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000459797535 1032480935 /nfs/dbraw/zinc/48/09/35/1032480935.db2.gz WZYWRVQQZDPAHM-SFHVURJKSA-N 2 1 343.540 3.750 20 0 EHADMP CCc1ccc([C@H](CO)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000090844403 1032601461 /nfs/dbraw/zinc/60/14/61/1032601461.db2.gz CPZYISXLXCQYII-NRFANRHFSA-N 2 1 330.516 3.669 20 0 EHADMP Cc1ncsc1CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000449466872 1032616202 /nfs/dbraw/zinc/61/62/02/1032616202.db2.gz JEQPQBZZFOUXBW-UHFFFAOYSA-N 2 1 331.529 3.742 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCC3(F)F)CC2)cc1 ZINC000449491361 1032659414 /nfs/dbraw/zinc/65/94/14/1032659414.db2.gz GMRZMKPJRXGGNL-MRXNPFEDSA-N 2 1 340.433 3.858 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2)C1 ZINC000655689346 1017390681 /nfs/dbraw/zinc/39/06/81/1017390681.db2.gz ARAVNMAMBRFACO-FXAWDEMLSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2)C1 ZINC000655689346 1017390693 /nfs/dbraw/zinc/39/06/93/1017390693.db2.gz ARAVNMAMBRFACO-FXAWDEMLSA-N 2 1 338.499 3.740 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415056221 1017481958 /nfs/dbraw/zinc/48/19/58/1017481958.db2.gz RYIBRPAYDKXSPT-NQIIRXRSSA-N 2 1 339.458 3.852 20 0 EHADMP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415060773 1017488627 /nfs/dbraw/zinc/48/86/27/1017488627.db2.gz XPDQZOOXDRXTCQ-JOCHJYFZSA-N 3 1 337.511 3.721 20 0 EHADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Br)c1 ZINC000415063315 1017490661 /nfs/dbraw/zinc/49/06/61/1017490661.db2.gz HVHREYFYTNWHPI-BLLLJJGKSA-N 2 1 325.294 3.660 20 0 EHADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Br)c1 ZINC000415063318 1017491036 /nfs/dbraw/zinc/49/10/36/1017491036.db2.gz HVHREYFYTNWHPI-WBMJQRKESA-N 2 1 325.294 3.660 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738183 1017500073 /nfs/dbraw/zinc/50/00/73/1017500073.db2.gz SQVKHFMENASMDR-YZGWKJHDSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1oc2ccccc2c1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655755355 1017546371 /nfs/dbraw/zinc/54/63/71/1017546371.db2.gz ZNEKCWBONFZVFL-GOSISDBHSA-N 2 1 342.483 3.517 20 0 EHADMP CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655755167 1017546976 /nfs/dbraw/zinc/54/69/76/1017546976.db2.gz RLFXHTDASNNVLN-RZUBCFFCSA-N 2 1 342.527 3.789 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000655755149 1017547066 /nfs/dbraw/zinc/54/70/66/1017547066.db2.gz QXBCVGMGSXZTNM-VGSWGCGISA-N 2 1 342.527 3.859 20 0 EHADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655762214 1017559187 /nfs/dbraw/zinc/55/91/87/1017559187.db2.gz CQKCWSFBLZXGKE-WBVHZDCISA-N 2 1 334.529 3.703 20 0 EHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000415118680 1017574436 /nfs/dbraw/zinc/57/44/36/1017574436.db2.gz DVHCGIVLZHWABJ-IRXDYDNUSA-N 2 1 343.298 3.712 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC(C)C ZINC000340419982 1017707242 /nfs/dbraw/zinc/70/72/42/1017707242.db2.gz ZLRISNZBDWVKEC-OALUTQOASA-N 2 1 346.515 3.837 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC(C)C ZINC000340419982 1017707252 /nfs/dbraw/zinc/70/72/52/1017707252.db2.gz ZLRISNZBDWVKEC-OALUTQOASA-N 2 1 346.515 3.837 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849711 1017768036 /nfs/dbraw/zinc/76/80/36/1017768036.db2.gz YGBMFZBHIOAIIN-BVOGOJNSSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655849711 1017768045 /nfs/dbraw/zinc/76/80/45/1017768045.db2.gz YGBMFZBHIOAIIN-BVOGOJNSSA-N 2 1 333.564 3.636 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H]3CCCc4c(O)cccc43)CC2)[nH+]1 ZINC000340477240 1018028530 /nfs/dbraw/zinc/02/85/30/1018028530.db2.gz LDHIGGBPODXNPH-IBGZPJMESA-N 2 1 337.467 3.732 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893018296 1018175051 /nfs/dbraw/zinc/17/50/51/1018175051.db2.gz DWUVHXIFQWMKSE-RDTXWAMCSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893018296 1018175062 /nfs/dbraw/zinc/17/50/62/1018175062.db2.gz DWUVHXIFQWMKSE-RDTXWAMCSA-N 2 1 333.476 3.763 20 0 EHADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000580029699 1018224277 /nfs/dbraw/zinc/22/42/77/1018224277.db2.gz RNMZMACENANELL-UHFFFAOYSA-N 2 1 337.895 3.523 20 0 EHADMP Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098640 1018474893 /nfs/dbraw/zinc/47/48/93/1018474893.db2.gz QCOZMHSKWCFSHK-VQIMIIECSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098640 1018474907 /nfs/dbraw/zinc/47/49/07/1018474907.db2.gz QCOZMHSKWCFSHK-VQIMIIECSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098640 1018474919 /nfs/dbraw/zinc/47/49/19/1018474919.db2.gz QCOZMHSKWCFSHK-VQIMIIECSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnc1F ZINC000893098640 1018474925 /nfs/dbraw/zinc/47/49/25/1018474925.db2.gz QCOZMHSKWCFSHK-VQIMIIECSA-N 2 1 327.447 3.672 20 0 EHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000729266600 1019255150 /nfs/dbraw/zinc/25/51/50/1019255150.db2.gz PQGWSJOFOCTOOV-OXJNMPFZSA-N 2 1 348.450 3.700 20 0 EHADMP COc1ccsc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000580607137 1019737594 /nfs/dbraw/zinc/73/75/94/1019737594.db2.gz GGXCIMJLGLVHFS-MSOLQXFVSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000580607137 1019737609 /nfs/dbraw/zinc/73/76/09/1019737609.db2.gz GGXCIMJLGLVHFS-MSOLQXFVSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000580607137 1019737622 /nfs/dbraw/zinc/73/76/22/1019737622.db2.gz GGXCIMJLGLVHFS-MSOLQXFVSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000580607137 1019737637 /nfs/dbraw/zinc/73/76/37/1019737637.db2.gz GGXCIMJLGLVHFS-MSOLQXFVSA-N 2 1 342.508 3.711 20 0 EHADMP Cc1ncsc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513488162 1019744714 /nfs/dbraw/zinc/74/47/14/1019744714.db2.gz QBPZWZPGKFTUSZ-CRAIPNDOSA-N 2 1 329.513 3.842 20 0 EHADMP Cc1nc2ccccc2n1C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000280147819 1020115431 /nfs/dbraw/zinc/11/54/31/1020115431.db2.gz CTTNUKJBTNOJKY-SFHVURJKSA-N 2 1 340.515 3.856 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H]2CCC[C@H]21 ZINC000580883067 1020177738 /nfs/dbraw/zinc/17/77/38/1020177738.db2.gz CMKPYXTZHSXAAW-KCQAQPDRSA-N 2 1 335.904 3.912 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H]2CCC[C@H]21 ZINC000580883067 1020177746 /nfs/dbraw/zinc/17/77/46/1020177746.db2.gz CMKPYXTZHSXAAW-KCQAQPDRSA-N 2 1 335.904 3.912 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000065976483 1020517914 /nfs/dbraw/zinc/51/79/14/1020517914.db2.gz JFPOBFLJMJOCQG-UHFFFAOYSA-N 2 1 326.440 3.545 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000513702412 1020599142 /nfs/dbraw/zinc/59/91/42/1020599142.db2.gz ITCCDFVRCURNAA-YESZJQIVSA-N 2 1 342.405 3.590 20 0 EHADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000430543255 1020607385 /nfs/dbraw/zinc/60/73/85/1020607385.db2.gz DSEDUECGWWLYTQ-INIZCTEOSA-N 2 1 332.410 3.827 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510375719 1020625338 /nfs/dbraw/zinc/62/53/38/1020625338.db2.gz JJAZBUDPHUQNIC-QUCCMNQESA-N 2 1 334.479 3.636 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430554856 1020663650 /nfs/dbraw/zinc/66/36/50/1020663650.db2.gz OAQNNUUNNFHACJ-GJZGRUSLSA-N 2 1 344.421 3.924 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000430590983 1020815504 /nfs/dbraw/zinc/81/55/04/1020815504.db2.gz MMEPDRYHOHTPST-UHFFFAOYSA-N 2 1 333.476 3.771 20 0 EHADMP CCC[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000581635194 1021213890 /nfs/dbraw/zinc/21/38/90/1021213890.db2.gz VUMSMSVSZYBTAY-FQEVSTJZSA-N 2 1 331.548 3.528 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167964075 1021248465 /nfs/dbraw/zinc/24/84/65/1021248465.db2.gz MVVLWNTVFLXZFP-AQXGTKIOSA-N 2 1 344.499 3.760 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422804 1021256193 /nfs/dbraw/zinc/25/61/93/1021256193.db2.gz QBAMNKHGAWQNME-YQVWRLOYSA-N 2 1 328.504 3.808 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422804 1021256207 /nfs/dbraw/zinc/25/62/07/1021256207.db2.gz QBAMNKHGAWQNME-YQVWRLOYSA-N 2 1 328.504 3.808 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507498155 1021296279 /nfs/dbraw/zinc/29/62/79/1021296279.db2.gz UNSXVJDQEFCUSN-KJJMTIBFSA-N 2 1 344.543 3.674 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000507483227 1021301406 /nfs/dbraw/zinc/30/14/06/1021301406.db2.gz GXXBKAGWTVAYKP-PCCBWWKXSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000507504931 1021314944 /nfs/dbraw/zinc/31/49/44/1021314944.db2.gz CXHNCOUDEXQFNA-LVCYWYKZSA-N 2 1 330.516 3.823 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2s1 ZINC000656783382 1021321659 /nfs/dbraw/zinc/32/16/59/1021321659.db2.gz QOTQLQUSPNOEIZ-QGZVFWFLSA-N 2 1 329.513 3.816 20 0 EHADMP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000656792035 1021351260 /nfs/dbraw/zinc/35/12/60/1021351260.db2.gz PAEBKNYKMGVBAA-JOCHJYFZSA-N 2 1 335.495 3.553 20 0 EHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000647171518 1021378866 /nfs/dbraw/zinc/37/88/66/1021378866.db2.gz MOFMOXUAOPYYHX-INIZCTEOSA-N 2 1 344.503 3.733 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1O ZINC000426404154 1021507799 /nfs/dbraw/zinc/50/77/99/1021507799.db2.gz HMCJUKFIDKFYAO-LLGFUMIMSA-N 2 1 348.531 3.822 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000684385661 1021509313 /nfs/dbraw/zinc/50/93/13/1021509313.db2.gz KKBMFQFDSGLMSZ-WOJBJXKFSA-N 2 1 342.483 3.959 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000684385660 1021510492 /nfs/dbraw/zinc/51/04/92/1021510492.db2.gz KKBMFQFDSGLMSZ-VQTJNVASSA-N 2 1 342.483 3.959 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(Br)cs2)C1 ZINC000518765693 1021516705 /nfs/dbraw/zinc/51/67/05/1021516705.db2.gz XUXJDXGQWQULKE-CHWSQXEVSA-N 2 1 345.350 3.968 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1O ZINC000426417785 1021529180 /nfs/dbraw/zinc/52/91/80/1021529180.db2.gz CLKPADXOEZLHKH-ZWKOTPCHSA-N 2 1 348.531 3.966 20 0 EHADMP Cc1ccc(C)c(OC2CC[NH+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000519648372 1021595903 /nfs/dbraw/zinc/59/59/03/1021595903.db2.gz PLVOLYAEWRSWHD-UHFFFAOYSA-N 2 1 327.472 3.513 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3nccc4ccccc43)C2)cc1 ZINC000684410275 1021659891 /nfs/dbraw/zinc/65/98/91/1021659891.db2.gz DAXLWJQKLPLMDR-LJQANCHMSA-N 2 1 331.463 3.847 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999514 1021927815 /nfs/dbraw/zinc/92/78/15/1021927815.db2.gz QSFBGORQUOJXFL-NNWRFLSQSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999514 1021927824 /nfs/dbraw/zinc/92/78/24/1021927824.db2.gz QSFBGORQUOJXFL-NNWRFLSQSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999514 1021927834 /nfs/dbraw/zinc/92/78/34/1021927834.db2.gz QSFBGORQUOJXFL-NNWRFLSQSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999514 1021927841 /nfs/dbraw/zinc/92/78/41/1021927841.db2.gz QSFBGORQUOJXFL-NNWRFLSQSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999514 1021927850 /nfs/dbraw/zinc/92/78/50/1021927850.db2.gz QSFBGORQUOJXFL-NNWRFLSQSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999514 1021927862 /nfs/dbraw/zinc/92/78/62/1021927862.db2.gz QSFBGORQUOJXFL-NNWRFLSQSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000516999514 1021927871 /nfs/dbraw/zinc/92/78/71/1021927871.db2.gz QSFBGORQUOJXFL-NNWRFLSQSA-N 3 1 343.559 3.609 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449676444 1033023905 /nfs/dbraw/zinc/02/39/05/1033023905.db2.gz HDCQRIZEFSDWCC-ROUUACIJSA-N 2 1 340.515 3.649 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cnc(-c3ccncc3)s2)C1 ZINC000440332685 1022097532 /nfs/dbraw/zinc/09/75/32/1022097532.db2.gz DEUHQEVOYFBSEG-IYBDPMFKSA-N 2 1 344.528 3.663 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000440332685 1022097549 /nfs/dbraw/zinc/09/75/49/1022097549.db2.gz DEUHQEVOYFBSEG-IYBDPMFKSA-N 2 1 344.528 3.663 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000440332685 1022097564 /nfs/dbraw/zinc/09/75/64/1022097564.db2.gz DEUHQEVOYFBSEG-IYBDPMFKSA-N 2 1 344.528 3.663 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430668900 1022101437 /nfs/dbraw/zinc/10/14/37/1022101437.db2.gz SGZNOHAXTYBQFY-HNNXBMFYSA-N 2 1 344.421 3.796 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccc2ccccc2c1 ZINC000441261168 1022107574 /nfs/dbraw/zinc/10/75/74/1022107574.db2.gz HINQOONIZSZRDY-VSKRKVRLSA-N 2 1 338.495 3.566 20 0 EHADMP Clc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441392902 1022209947 /nfs/dbraw/zinc/20/99/47/1022209947.db2.gz KNTNMYVTMQAWFP-HNAYVOBHSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441392902 1022209963 /nfs/dbraw/zinc/20/99/63/1022209963.db2.gz KNTNMYVTMQAWFP-HNAYVOBHSA-N 2 1 334.891 3.668 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000163950787 1022210090 /nfs/dbraw/zinc/21/00/90/1022210090.db2.gz ZIPYBJMUAIIWAU-INIZCTEOSA-N 2 1 328.431 3.509 20 0 EHADMP Clc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441392898 1022210901 /nfs/dbraw/zinc/21/09/01/1022210901.db2.gz KNTNMYVTMQAWFP-BEFAXECRSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441392898 1022210914 /nfs/dbraw/zinc/21/09/14/1022210914.db2.gz KNTNMYVTMQAWFP-BEFAXECRSA-N 2 1 334.891 3.668 20 0 EHADMP CCC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000579251250 1022215694 /nfs/dbraw/zinc/21/56/94/1022215694.db2.gz DLUQGUQBHPRNFI-SFTDATJTSA-N 2 1 342.527 3.647 20 0 EHADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@H]2CCC[C@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000437976652 1022300290 /nfs/dbraw/zinc/30/02/90/1022300290.db2.gz KSETWKBXSSTLSQ-VNYTWHDVSA-N 2 1 346.563 3.951 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199727 1022319884 /nfs/dbraw/zinc/31/98/84/1022319884.db2.gz OECLSCCCTBJPPC-ICSRJNTNSA-N 2 1 340.515 3.539 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199727 1022319893 /nfs/dbraw/zinc/31/98/93/1022319893.db2.gz OECLSCCCTBJPPC-ICSRJNTNSA-N 2 1 340.515 3.539 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3scnc3C)C2)s1 ZINC000574329451 1033045374 /nfs/dbraw/zinc/04/53/74/1033045374.db2.gz HYWWNEUWQWYFGZ-INIZCTEOSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3scnc3C)C2)s1 ZINC000574329451 1033045384 /nfs/dbraw/zinc/04/53/84/1033045384.db2.gz HYWWNEUWQWYFGZ-INIZCTEOSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3scnc3C)C2)s1 ZINC000574329451 1033045395 /nfs/dbraw/zinc/04/53/95/1033045395.db2.gz HYWWNEUWQWYFGZ-INIZCTEOSA-N 2 1 349.569 3.818 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C[NH+](C)C ZINC000425946845 1022377235 /nfs/dbraw/zinc/37/72/35/1022377235.db2.gz QFRFPSQXEPIXNR-SMDDNHRTSA-N 2 1 343.334 3.773 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167971252 1022390908 /nfs/dbraw/zinc/39/09/08/1022390908.db2.gz VGHADPSRFPPOGJ-AQDPXUSMSA-N 2 1 326.484 3.814 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167971252 1022390919 /nfs/dbraw/zinc/39/09/19/1022390919.db2.gz VGHADPSRFPPOGJ-AQDPXUSMSA-N 2 1 326.484 3.814 20 0 EHADMP COc1cccc2c1CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C2 ZINC000425949465 1022410282 /nfs/dbraw/zinc/41/02/82/1022410282.db2.gz IFQPNKBNZVLMIG-PKOBYXMFSA-N 2 1 330.516 3.654 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000425953147 1022421568 /nfs/dbraw/zinc/42/15/68/1022421568.db2.gz RHFPBDZANWTWFV-KGLIPLIRSA-N 2 1 334.895 3.682 20 0 EHADMP Oc1cccc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562726 1022553442 /nfs/dbraw/zinc/55/34/42/1022553442.db2.gz YDKITRUJSZKQSU-NRDMVMEKSA-N 2 1 348.490 3.502 20 0 EHADMP Cc1cccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167975103 1022569389 /nfs/dbraw/zinc/56/93/89/1022569389.db2.gz HEVDNTQFOJNHQZ-YQQQUEKLSA-N 2 1 327.516 3.663 20 0 EHADMP CC(C)(C)C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975553 1022636095 /nfs/dbraw/zinc/63/60/95/1022636095.db2.gz SAQDYIYRAGUMIH-SEJPIABJSA-N 3 1 347.591 3.740 20 0 EHADMP Cc1ncccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167977871 1022741144 /nfs/dbraw/zinc/74/11/44/1022741144.db2.gz HILWWYCVDBNZGZ-QYYYHEGRSA-N 2 1 325.500 3.836 20 0 EHADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(Cl)cc21 ZINC000188557493 1022826061 /nfs/dbraw/zinc/82/60/61/1022826061.db2.gz YHCOVROSMMFXBU-DLBZAZTESA-N 2 1 331.891 3.591 20 0 EHADMP Cc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)oc2c1 ZINC000426070759 1022834151 /nfs/dbraw/zinc/83/41/51/1022834151.db2.gz PORVAZVYAPMWDD-SJORKVTESA-N 2 1 342.483 3.893 20 0 EHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000320389458 1022881540 /nfs/dbraw/zinc/88/15/40/1022881540.db2.gz XDYAWWMFSPQKSF-UHFFFAOYSA-N 2 1 330.394 3.797 20 0 EHADMP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414942604 1022929195 /nfs/dbraw/zinc/92/91/95/1022929195.db2.gz ZXFHWWQJBLGZPW-HSZRJFAPSA-N 2 1 349.522 3.943 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937891 1023001982 /nfs/dbraw/zinc/00/19/82/1023001982.db2.gz LSASDEQKZNXSLD-IEBWSBKVSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937891 1023001993 /nfs/dbraw/zinc/00/19/93/1023001993.db2.gz LSASDEQKZNXSLD-IEBWSBKVSA-N 2 1 325.456 3.614 20 0 EHADMP Clc1sc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000261959206 1023135046 /nfs/dbraw/zinc/13/50/46/1023135046.db2.gz GZCQRGKTSNDKJB-UHFFFAOYSA-N 2 1 349.725 3.740 20 0 EHADMP Clc1sc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000261959206 1023135052 /nfs/dbraw/zinc/13/50/52/1023135052.db2.gz GZCQRGKTSNDKJB-UHFFFAOYSA-N 2 1 349.725 3.740 20 0 EHADMP CCCC1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607366876 1033108614 /nfs/dbraw/zinc/10/86/14/1033108614.db2.gz XMRKFFHSDULBTI-MNLRITNHSA-N 2 1 330.516 3.572 20 0 EHADMP CCCC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607366876 1033108622 /nfs/dbraw/zinc/10/86/22/1033108622.db2.gz XMRKFFHSDULBTI-MNLRITNHSA-N 2 1 330.516 3.572 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOCC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639052323 1023171020 /nfs/dbraw/zinc/17/10/20/1023171020.db2.gz WPXVLLHPXCQGSO-CTNGQTDRSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOCC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639052323 1023171025 /nfs/dbraw/zinc/17/10/25/1023171025.db2.gz WPXVLLHPXCQGSO-CTNGQTDRSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Br ZINC000578920086 1023220275 /nfs/dbraw/zinc/22/02/75/1023220275.db2.gz VXHLACBYEOYXEX-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1Br ZINC000578920086 1023220280 /nfs/dbraw/zinc/22/02/80/1023220280.db2.gz VXHLACBYEOYXEX-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Br ZINC000578920086 1023220286 /nfs/dbraw/zinc/22/02/86/1023220286.db2.gz VXHLACBYEOYXEX-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Br ZINC000578920086 1023220297 /nfs/dbraw/zinc/22/02/97/1023220297.db2.gz VXHLACBYEOYXEX-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000341784384 1023309888 /nfs/dbraw/zinc/30/98/88/1023309888.db2.gz OVKAWUSCKRNLND-NRFANRHFSA-N 2 1 330.516 3.888 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4OC3)CC2)cc1 ZINC000510980547 1023547447 /nfs/dbraw/zinc/54/74/47/1023547447.db2.gz BNILPTNBQRMENX-OAQYLSRUSA-N 2 1 336.479 3.634 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535777724 1023627034 /nfs/dbraw/zinc/62/70/34/1023627034.db2.gz SPBGERGOWRQLHG-ZDUSSCGKSA-N 2 1 328.859 3.631 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000535813017 1023655011 /nfs/dbraw/zinc/65/50/11/1023655011.db2.gz ACOMJZREXPDTIX-UHFFFAOYSA-N 2 1 334.895 3.540 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000535813017 1023655013 /nfs/dbraw/zinc/65/50/13/1023655013.db2.gz ACOMJZREXPDTIX-UHFFFAOYSA-N 2 1 334.895 3.540 20 0 EHADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082366 1023890389 /nfs/dbraw/zinc/89/03/89/1023890389.db2.gz INWFDVPYXSZLJZ-UAGQMJEPSA-N 2 1 345.874 3.863 20 0 EHADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000342082366 1023890397 /nfs/dbraw/zinc/89/03/97/1023890397.db2.gz INWFDVPYXSZLJZ-UAGQMJEPSA-N 2 1 345.874 3.863 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)CCCC2)CC1 ZINC000657879307 1033170730 /nfs/dbraw/zinc/17/07/30/1033170730.db2.gz ITPIDYQFPMCTPW-QYZOEREBSA-N 2 1 334.548 3.824 20 0 EHADMP c1cc2c(nc[nH+]c2N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[nH]1 ZINC000896838847 1023986623 /nfs/dbraw/zinc/98/66/23/1023986623.db2.gz QRVCVCLQTXVLBS-UHFFFAOYSA-N 2 1 347.466 3.549 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342102230 1023992429 /nfs/dbraw/zinc/99/24/29/1023992429.db2.gz LUULRKYWRNRYGT-PBWTXFEYSA-N 2 1 343.515 3.505 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342102230 1023992443 /nfs/dbraw/zinc/99/24/43/1023992443.db2.gz LUULRKYWRNRYGT-PBWTXFEYSA-N 2 1 343.515 3.505 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC000441538354 1024048241 /nfs/dbraw/zinc/04/82/41/1024048241.db2.gz ZJOGPDACYKKTQO-FQEVSTJZSA-N 2 1 342.527 3.608 20 0 EHADMP Clc1ccc2c(NCC3([NH+]4CCCC4)CCOCC3)cc[nH+]c2c1 ZINC000520561705 1024112122 /nfs/dbraw/zinc/11/21/22/1024112122.db2.gz VKDKCOQVGGSNPM-UHFFFAOYSA-N 2 1 345.874 3.945 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)OC ZINC000520580692 1024139146 /nfs/dbraw/zinc/13/91/46/1024139146.db2.gz HQUUWXQZGLVUMG-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)OC ZINC000520580692 1024139153 /nfs/dbraw/zinc/13/91/53/1024139153.db2.gz HQUUWXQZGLVUMG-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000324105365 1024203668 /nfs/dbraw/zinc/20/36/68/1024203668.db2.gz PMLAUFDFUIIJQT-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000324105365 1024203684 /nfs/dbraw/zinc/20/36/84/1024203684.db2.gz PMLAUFDFUIIJQT-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342146768 1024240919 /nfs/dbraw/zinc/24/09/19/1024240919.db2.gz YQSDAJWBWUPFDY-XTBFLFJDSA-N 2 1 346.862 3.510 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342146768 1024240931 /nfs/dbraw/zinc/24/09/31/1024240931.db2.gz YQSDAJWBWUPFDY-XTBFLFJDSA-N 2 1 346.862 3.510 20 0 EHADMP C[C@H]([NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC001168023126 1024256294 /nfs/dbraw/zinc/25/62/94/1024256294.db2.gz VLNZUAMSIPJIMG-ULQDDVLXSA-N 2 1 326.488 3.512 20 0 EHADMP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC001168023126 1024256310 /nfs/dbraw/zinc/25/63/10/1024256310.db2.gz VLNZUAMSIPJIMG-ULQDDVLXSA-N 2 1 326.488 3.512 20 0 EHADMP Cc1nc2ccccn2c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434669693 1024284295 /nfs/dbraw/zinc/28/42/95/1024284295.db2.gz LNSRYCJKJDKJRH-UHFFFAOYSA-N 2 1 349.482 3.555 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000443656913 1024361023 /nfs/dbraw/zinc/36/10/23/1024361023.db2.gz LXPSVIJMIGUHOM-NVXWUHKLSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000443656913 1024361041 /nfs/dbraw/zinc/36/10/41/1024361041.db2.gz LXPSVIJMIGUHOM-NVXWUHKLSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000443656913 1024361059 /nfs/dbraw/zinc/36/10/59/1024361059.db2.gz LXPSVIJMIGUHOM-NVXWUHKLSA-N 2 1 326.406 3.930 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nccs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006313 1024398204 /nfs/dbraw/zinc/39/82/04/1024398204.db2.gz NBXYDFZMHVTQKB-ALXJQNPVSA-N 2 1 329.513 3.717 20 0 EHADMP COc1ccc(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C2CC2)cc1 ZINC000346128297 1024429621 /nfs/dbraw/zinc/42/96/21/1024429621.db2.gz DODCXFVYTYYZFG-UHFFFAOYSA-N 2 1 348.450 3.749 20 0 EHADMP CC(C)N1CCc2nc(CNc3ccc4c(c3)CCCN4)sc2C1 ZINC000414855224 1024437336 /nfs/dbraw/zinc/43/73/36/1024437336.db2.gz WEMYAYOPJSHXPQ-UHFFFAOYSA-N 2 1 342.512 3.880 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2C2CCCCC2)C[C@H]1C ZINC000346194089 1024514476 /nfs/dbraw/zinc/51/44/76/1024514476.db2.gz XSWNXWYSNFTTRI-APWZRJJASA-N 2 1 332.536 3.772 20 0 EHADMP [NH3+]C1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCCCCC1 ZINC000414864155 1024569299 /nfs/dbraw/zinc/56/92/99/1024569299.db2.gz YZSVLPULUMPART-UHFFFAOYSA-N 2 1 349.950 3.946 20 0 EHADMP CC1(C[N@H+]2CCC[C@H]2c2ccccc2Br)CC[NH2+]CC1 ZINC001205000859 1024570842 /nfs/dbraw/zinc/57/08/42/1024570842.db2.gz LKDYBQWQQGQUGH-INIZCTEOSA-N 2 1 337.305 3.976 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]CCn2cc[nH+]c2C)c2ccccc2)c1 ZINC000342261361 1024605327 /nfs/dbraw/zinc/60/53/27/1024605327.db2.gz BCURDVHMQDANOF-OAQYLSRUSA-N 2 1 335.451 3.774 20 0 EHADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000507817249 1024627998 /nfs/dbraw/zinc/62/79/98/1024627998.db2.gz XKSMRGLWBZQNDK-TZIWHRDSSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@@H]1C[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817249 1024628006 /nfs/dbraw/zinc/62/80/06/1024628006.db2.gz XKSMRGLWBZQNDK-TZIWHRDSSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817249 1024628014 /nfs/dbraw/zinc/62/80/14/1024628014.db2.gz XKSMRGLWBZQNDK-TZIWHRDSSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000657293715 1024659157 /nfs/dbraw/zinc/65/91/57/1024659157.db2.gz UHZXPYHVLONQIG-ZDUSSCGKSA-N 2 1 340.309 3.507 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000657293715 1024659167 /nfs/dbraw/zinc/65/91/67/1024659167.db2.gz UHZXPYHVLONQIG-ZDUSSCGKSA-N 2 1 340.309 3.507 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009765 1024677683 /nfs/dbraw/zinc/67/76/83/1024677683.db2.gz HZVHRHKIRDTASZ-MXNKGDRCSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009765 1024677694 /nfs/dbraw/zinc/67/76/94/1024677694.db2.gz HZVHRHKIRDTASZ-MXNKGDRCSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009765 1024677702 /nfs/dbraw/zinc/67/77/02/1024677702.db2.gz HZVHRHKIRDTASZ-MXNKGDRCSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168009765 1024677709 /nfs/dbraw/zinc/67/77/09/1024677709.db2.gz HZVHRHKIRDTASZ-MXNKGDRCSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168009765 1024677719 /nfs/dbraw/zinc/67/77/19/1024677719.db2.gz HZVHRHKIRDTASZ-MXNKGDRCSA-N 2 1 343.559 3.750 20 0 EHADMP CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435388373 1024872459 /nfs/dbraw/zinc/87/24/59/1024872459.db2.gz FSEFLZMBTFEPCN-HXUWFJFHSA-N 2 1 339.483 3.625 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346569699 1024876257 /nfs/dbraw/zinc/87/62/57/1024876257.db2.gz VNCJTXSELHQVOE-HXUWFJFHSA-N 2 1 338.430 3.885 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2SC)[C@H](C)C1 ZINC000346605835 1024945081 /nfs/dbraw/zinc/94/50/81/1024945081.db2.gz JAYCFYGEATUPJO-AEFFLSMTSA-N 2 1 336.545 3.635 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2SC)[C@H](C)C1 ZINC000346605835 1024945086 /nfs/dbraw/zinc/94/50/86/1024945086.db2.gz JAYCFYGEATUPJO-AEFFLSMTSA-N 2 1 336.545 3.635 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431331291 1024964533 /nfs/dbraw/zinc/96/45/33/1024964533.db2.gz HSXNFNDGBFMOKS-HXUWFJFHSA-N 2 1 328.500 3.853 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000281440439 1025052327 /nfs/dbraw/zinc/05/23/27/1025052327.db2.gz SCZAWKSBGDASPB-UWJYYQICSA-N 2 1 340.515 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000281440439 1025052335 /nfs/dbraw/zinc/05/23/35/1025052335.db2.gz SCZAWKSBGDASPB-UWJYYQICSA-N 2 1 340.515 3.773 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000897964327 1033260539 /nfs/dbraw/zinc/26/05/39/1033260539.db2.gz CDKJPYFKUBKAAE-YCZSINBZSA-N 2 1 335.495 3.655 20 0 EHADMP CCc1nc(C)cc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342390521 1025163931 /nfs/dbraw/zinc/16/39/31/1025163931.db2.gz ZXIDNXXBRRXUEK-HKUYNNGSSA-N 2 1 338.499 3.837 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000431353670 1025218810 /nfs/dbraw/zinc/21/88/10/1025218810.db2.gz WKAIYMZKJIOHNE-OXQOHEQNSA-N 2 1 328.500 3.711 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276379 1025224137 /nfs/dbraw/zinc/22/41/37/1025224137.db2.gz BCSXQQFSLSXMHN-PWRODBHTSA-N 2 1 341.543 3.538 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116396242 1025268220 /nfs/dbraw/zinc/26/82/20/1025268220.db2.gz FUJDMIZNYQPHOQ-AEFFLSMTSA-N 2 1 333.520 3.586 20 0 EHADMP COc1ccc([C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2ccc(F)cc2)cc1 ZINC000665282109 1025292878 /nfs/dbraw/zinc/29/28/78/1025292878.db2.gz QWEVVIURNKJRAE-WOJBJXKFSA-N 2 1 330.447 3.887 20 0 EHADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000665289534 1025422699 /nfs/dbraw/zinc/42/26/99/1025422699.db2.gz QPTLDTDIYOBFGF-AWEZNQCLSA-N 2 1 340.471 3.539 20 0 EHADMP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442776950 1025468592 /nfs/dbraw/zinc/46/85/92/1025468592.db2.gz HYLFWQKBKCFHPX-YIONKMFJSA-N 2 1 329.271 3.587 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767388 1025480019 /nfs/dbraw/zinc/48/00/19/1025480019.db2.gz YMSBLRMJCVKPMC-QZTJIDSGSA-N 2 1 346.478 3.708 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934333749 1025487501 /nfs/dbraw/zinc/48/75/01/1025487501.db2.gz QZFDPOMIYRFLSD-INIZCTEOSA-N 2 1 338.480 3.702 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000373519742 1025503125 /nfs/dbraw/zinc/50/31/25/1025503125.db2.gz GKJHPWMFBRUHEU-FTWXPCQCSA-N 2 1 341.543 3.504 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442829642 1025522970 /nfs/dbraw/zinc/52/29/70/1025522970.db2.gz VVROABYHWCONHG-IAGOWNOFSA-N 2 1 325.500 3.593 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297012 1025560462 /nfs/dbraw/zinc/56/04/62/1025560462.db2.gz LMGZLNZAAXPNFP-ODVANORSSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297012 1025560472 /nfs/dbraw/zinc/56/04/72/1025560472.db2.gz LMGZLNZAAXPNFP-ODVANORSSA-N 2 1 326.406 3.881 20 0 EHADMP CC[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CCN(C)CC1 ZINC001143443281 1025650490 /nfs/dbraw/zinc/65/04/90/1025650490.db2.gz OLMZBICVFQFEPT-UHFFFAOYSA-N 2 1 334.357 3.640 20 0 EHADMP CCN(Cc1ccc(F)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143443281 1025650497 /nfs/dbraw/zinc/65/04/97/1025650497.db2.gz OLMZBICVFQFEPT-UHFFFAOYSA-N 2 1 334.357 3.640 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000657374112 1025667440 /nfs/dbraw/zinc/66/74/40/1025667440.db2.gz FAUZPDRSQGAULA-MOPGFXCFSA-N 2 1 328.456 3.569 20 0 EHADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240984 1025673503 /nfs/dbraw/zinc/67/35/03/1025673503.db2.gz VWNZTLLCTKYOKN-SLFFLAALSA-N 2 1 328.500 3.588 20 0 EHADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240984 1025673508 /nfs/dbraw/zinc/67/35/08/1025673508.db2.gz VWNZTLLCTKYOKN-SLFFLAALSA-N 2 1 328.500 3.588 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000530354979 1025696876 /nfs/dbraw/zinc/69/68/76/1025696876.db2.gz OCVYTBOWOWEGLM-LLVKDONJSA-N 2 1 330.284 3.998 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000530360532 1025704896 /nfs/dbraw/zinc/70/48/96/1025704896.db2.gz VZYUNFBDEMTQIP-INIZCTEOSA-N 2 1 348.288 3.737 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443079096 1025706678 /nfs/dbraw/zinc/70/66/78/1025706678.db2.gz YQPHSPKNQZCRLB-OLZOCXBDSA-N 2 1 334.851 3.512 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCCn4ccnc43)cc2)C1 ZINC000655689349 1025746917 /nfs/dbraw/zinc/74/69/17/1025746917.db2.gz ARAVNMAMBRFACO-YLJYHZDGSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2)C1 ZINC000655689349 1025746943 /nfs/dbraw/zinc/74/69/43/1025746943.db2.gz ARAVNMAMBRFACO-YLJYHZDGSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2)C1 ZINC000655689349 1025746959 /nfs/dbraw/zinc/74/69/59/1025746959.db2.gz ARAVNMAMBRFACO-YLJYHZDGSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H](C[NH3+])C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414885563 1025749169 /nfs/dbraw/zinc/74/91/69/1025749169.db2.gz XEEPCVYWWAZUCX-SECBINFHSA-N 2 1 330.284 3.801 20 0 EHADMP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000281955078 1025778881 /nfs/dbraw/zinc/77/88/81/1025778881.db2.gz ARUBBJMMOQRLSO-NQIIRXRSSA-N 2 1 330.516 3.754 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000347286647 1025812669 /nfs/dbraw/zinc/81/26/69/1025812669.db2.gz GLLAFDTUAHBMFX-FZMZJTMJSA-N 2 1 343.334 3.916 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000443217296 1025819567 /nfs/dbraw/zinc/81/95/67/1025819567.db2.gz CRACSWUSADWTAG-IYBDPMFKSA-N 2 1 340.471 3.705 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000109787845 1025838399 /nfs/dbraw/zinc/83/83/99/1025838399.db2.gz YIBJIAJMWHYONK-UHFFFAOYSA-N 2 1 344.421 3.934 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000109787845 1025838424 /nfs/dbraw/zinc/83/84/24/1025838424.db2.gz YIBJIAJMWHYONK-UHFFFAOYSA-N 2 1 344.421 3.934 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000474942949 1025908538 /nfs/dbraw/zinc/90/85/38/1025908538.db2.gz MNNNBCHMONVVAK-SFHVURJKSA-N 2 1 326.488 3.535 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051816 1025908635 /nfs/dbraw/zinc/90/86/35/1025908635.db2.gz ISNLIUSLSZJSAQ-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051816 1025908649 /nfs/dbraw/zinc/90/86/49/1025908649.db2.gz ISNLIUSLSZJSAQ-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@H]1CC([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058010 1026316498 /nfs/dbraw/zinc/31/64/98/1026316498.db2.gz AGNJEUHEPFIEPL-RHSMJXSCSA-N 2 1 340.511 3.537 20 0 EHADMP Cc1[nH+]ccc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1Cl ZINC000684889955 1026382863 /nfs/dbraw/zinc/38/28/63/1026382863.db2.gz MWEUDHUGPTVOGL-MRXNPFEDSA-N 2 1 326.831 3.595 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451959390 1026394940 /nfs/dbraw/zinc/39/49/40/1026394940.db2.gz NIDFLMYUDBIXAY-UHFFFAOYSA-N 2 1 333.426 3.815 20 0 EHADMP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288676 1026444254 /nfs/dbraw/zinc/44/42/54/1026444254.db2.gz SUGLALOAKSUIPQ-QRGKHIHXSA-N 2 1 336.479 3.820 20 0 EHADMP CC(C)c1ncc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000475353807 1026508056 /nfs/dbraw/zinc/50/80/56/1026508056.db2.gz LKILXZKNWBWLSJ-HDICACEKSA-N 2 1 341.524 3.830 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@]23CCOC3)C[C@@H](C)N1Cc1ccccc1 ZINC001168062218 1026514238 /nfs/dbraw/zinc/51/42/38/1026514238.db2.gz JOZUOWRLVWUCAE-OPYAIIAOSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062218 1026514249 /nfs/dbraw/zinc/51/42/49/1026514249.db2.gz JOZUOWRLVWUCAE-OPYAIIAOSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062218 1026514254 /nfs/dbraw/zinc/51/42/54/1026514254.db2.gz JOZUOWRLVWUCAE-OPYAIIAOSA-N 2 1 328.500 3.683 20 0 EHADMP COCc1csc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657452489 1026518714 /nfs/dbraw/zinc/51/87/14/1026518714.db2.gz GBVXPVWDKUUCDU-KRWDZBQOSA-N 2 1 330.497 3.506 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140074 1026620946 /nfs/dbraw/zinc/62/09/46/1026620946.db2.gz HOPNEPUYLCIBPU-TZMCWYRMSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140074 1026620951 /nfs/dbraw/zinc/62/09/51/1026620951.db2.gz HOPNEPUYLCIBPU-TZMCWYRMSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140074 1026620956 /nfs/dbraw/zinc/62/09/56/1026620956.db2.gz HOPNEPUYLCIBPU-TZMCWYRMSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140074 1026620967 /nfs/dbraw/zinc/62/09/67/1026620967.db2.gz HOPNEPUYLCIBPU-TZMCWYRMSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301327043 1026763575 /nfs/dbraw/zinc/76/35/75/1026763575.db2.gz ZQHMFTGMZIJPAZ-UHFFFAOYSA-N 2 1 334.261 3.894 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000301521477 1026837665 /nfs/dbraw/zinc/83/76/65/1026837665.db2.gz GZFZJTRDEFOEGS-CQSZACIVSA-N 2 1 349.425 3.923 20 0 EHADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(Cl)c1 ZINC000582671001 1026906816 /nfs/dbraw/zinc/90/68/16/1026906816.db2.gz RQQYYHTXIRMZIQ-UHFFFAOYSA-N 2 1 344.890 3.814 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000305768514 1026965731 /nfs/dbraw/zinc/96/57/31/1026965731.db2.gz KWTWPBAMFPKTGQ-GUDVDZBRSA-N 2 1 346.515 3.651 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000126667771 1027225575 /nfs/dbraw/zinc/22/55/75/1027225575.db2.gz LMQVQBSYHKYAIC-JOCHJYFZSA-N 2 1 337.511 3.675 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000127198898 1027281469 /nfs/dbraw/zinc/28/14/69/1027281469.db2.gz ZYKKFKRXTIDZQP-KRWDZBQOSA-N 2 1 326.469 3.807 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657562141 1027295874 /nfs/dbraw/zinc/29/58/74/1027295874.db2.gz NWNDTVNBXNHCAD-WMQCIHAUSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000657562141 1027295884 /nfs/dbraw/zinc/29/58/84/1027295884.db2.gz NWNDTVNBXNHCAD-WMQCIHAUSA-N 2 1 330.516 3.834 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000453064331 1027316500 /nfs/dbraw/zinc/31/65/00/1027316500.db2.gz GQXTXURCSZSNIT-VQTJNVASSA-N 2 1 348.918 3.647 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453074584 1027326448 /nfs/dbraw/zinc/32/64/48/1027326448.db2.gz DRRYZHOFMZJRRV-MRXNPFEDSA-N 2 1 338.499 3.755 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cccnc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453078934 1027331972 /nfs/dbraw/zinc/33/19/72/1027331972.db2.gz KZJPQTNIFKZOLJ-FSSWDIPSSA-N 2 1 335.495 3.657 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453085573 1027344743 /nfs/dbraw/zinc/34/47/43/1027344743.db2.gz OMCSLZTYSUCDMT-QGZVFWFLSA-N 2 1 340.515 3.858 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453087650 1027345510 /nfs/dbraw/zinc/34/55/10/1027345510.db2.gz IVOGIZOQOSWVPQ-IBGZPJMESA-N 2 1 336.907 3.618 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000453101958 1027363130 /nfs/dbraw/zinc/36/31/30/1027363130.db2.gz ZTWKDNQOGYRYSV-YSSFQJQWSA-N 2 1 348.918 3.504 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000453116693 1027391450 /nfs/dbraw/zinc/39/14/50/1027391450.db2.gz YIPPNCWGILRLJP-VAMGGRTRSA-N 2 1 341.524 3.984 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000453116693 1027391479 /nfs/dbraw/zinc/39/14/79/1027391479.db2.gz YIPPNCWGILRLJP-VAMGGRTRSA-N 2 1 341.524 3.984 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C3CC3)C3CCCC3)CC2)nc(C)[nH+]1 ZINC000453119137 1027394615 /nfs/dbraw/zinc/39/46/15/1027394615.db2.gz BELFXUFFZALIEN-FQEVSTJZSA-N 2 1 328.504 3.621 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C3CC3)C3CCCC3)CC2)nc(C)[nH+]1 ZINC000453119140 1027394913 /nfs/dbraw/zinc/39/49/13/1027394913.db2.gz BELFXUFFZALIEN-HXUWFJFHSA-N 2 1 328.504 3.621 20 0 EHADMP FC(F)(F)CCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420301320 1027448969 /nfs/dbraw/zinc/44/89/69/1027448969.db2.gz APOMBDGPEFRCQT-CYBMUJFWSA-N 2 1 347.450 3.820 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](c1ccccc1)C2 ZINC000420299183 1027450228 /nfs/dbraw/zinc/45/02/28/1027450228.db2.gz IFLSAKZWIDDYIQ-JTSKRJEESA-N 2 1 336.479 3.794 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307385 1027453939 /nfs/dbraw/zinc/45/39/39/1027453939.db2.gz BQXILOCUPVZCDX-APWZRJJASA-N 2 1 326.488 3.754 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@H]12 ZINC000420314157 1027459945 /nfs/dbraw/zinc/45/99/45/1027459945.db2.gz VGAQMNPTHUHNMU-CORIIIEPSA-N 2 1 333.888 3.633 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@H]12 ZINC000420314157 1027459962 /nfs/dbraw/zinc/45/99/62/1027459962.db2.gz VGAQMNPTHUHNMU-CORIIIEPSA-N 2 1 333.888 3.633 20 0 EHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000420318397 1027467676 /nfs/dbraw/zinc/46/76/76/1027467676.db2.gz NZTXRLNHJJRVAJ-DYXWJJEUSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H]1CCC[C@@H](CC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000420321379 1027470093 /nfs/dbraw/zinc/47/00/93/1027470093.db2.gz ZXFUTCNQEVHYIB-QYZOEREBSA-N 2 1 344.547 3.581 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000420325669 1027479863 /nfs/dbraw/zinc/47/98/63/1027479863.db2.gz WNPRFIRNPPUJPG-XLIONFOSSA-N 2 1 328.431 3.714 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000453172627 1027493141 /nfs/dbraw/zinc/49/31/41/1027493141.db2.gz ICIGXNMCDXZBEQ-NCYKPQTJSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000453180262 1027497513 /nfs/dbraw/zinc/49/75/13/1027497513.db2.gz VDEYUENKCMCWID-IZBJGVDFSA-N 2 1 338.499 3.779 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000501774029 1027527897 /nfs/dbraw/zinc/52/78/97/1027527897.db2.gz ILJUKNHSBKKGHT-OAQYLSRUSA-N 2 1 348.506 3.883 20 0 EHADMP C[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000475563049 1027622882 /nfs/dbraw/zinc/62/28/82/1027622882.db2.gz PKDLJPWVNWSFNF-YOLZPYMBSA-N 2 1 341.543 3.504 20 0 EHADMP CC[C@@H](C[N@@H+](CC)CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000501960444 1027667232 /nfs/dbraw/zinc/66/72/32/1027667232.db2.gz YYFMVSPHJJLAMU-NRFANRHFSA-N 2 1 345.575 3.918 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414654310 1027716201 /nfs/dbraw/zinc/71/62/01/1027716201.db2.gz BWRBXGAXZWVFMG-NQIIRXRSSA-N 2 1 338.495 3.867 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000414664104 1027757022 /nfs/dbraw/zinc/75/70/22/1027757022.db2.gz TUCSKBXMIFLBOI-YWZLYKJASA-N 2 1 328.431 3.574 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000342872571 1027800264 /nfs/dbraw/zinc/80/02/64/1027800264.db2.gz CTCHNBMXKOEUAC-MRXNPFEDSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000342872571 1027800285 /nfs/dbraw/zinc/80/02/85/1027800285.db2.gz CTCHNBMXKOEUAC-MRXNPFEDSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000422732440 1027877277 /nfs/dbraw/zinc/87/72/77/1027877277.db2.gz PWBLXEXKTYHDMF-HOTGVXAUSA-N 2 1 340.515 3.629 20 0 EHADMP CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915426 1027901109 /nfs/dbraw/zinc/90/11/09/1027901109.db2.gz LPUOIEJWECCRDD-VQTJNVASSA-N 2 1 348.556 3.625 20 0 EHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915426 1027901123 /nfs/dbraw/zinc/90/11/23/1027901123.db2.gz LPUOIEJWECCRDD-VQTJNVASSA-N 2 1 348.556 3.625 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422766548 1027923412 /nfs/dbraw/zinc/92/34/12/1027923412.db2.gz RUWLIGNTEGHRAI-ZDUSSCGKSA-N 2 1 338.480 3.823 20 0 EHADMP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625209 1027932668 /nfs/dbraw/zinc/93/26/68/1027932668.db2.gz GWLZJCUEYHCSJM-UHFFFAOYSA-N 2 1 346.519 3.859 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC/C=C\c3ccccc3)CC2)CC1 ZINC000420977089 1027955729 /nfs/dbraw/zinc/95/57/29/1027955729.db2.gz HRNMLCLRCCYAEN-WDZFZDKYSA-N 2 1 341.543 3.582 20 0 EHADMP c1ccc(C[NH+]2CCCCC2)c(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422792201 1027963167 /nfs/dbraw/zinc/96/31/67/1027963167.db2.gz QYDCBZFYCMKTSI-BHDDXSALSA-N 2 1 341.543 3.683 20 0 EHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414694961 1027966223 /nfs/dbraw/zinc/96/62/23/1027966223.db2.gz OJBGRXWRAZJBGX-MDZRGWNJSA-N 2 1 326.488 3.581 20 0 EHADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132903351 1027975944 /nfs/dbraw/zinc/97/59/44/1027975944.db2.gz ITPWBNKNKZYBDY-IRXDYDNUSA-N 2 1 348.556 3.950 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1OC ZINC000502241525 1027993198 /nfs/dbraw/zinc/99/31/98/1027993198.db2.gz MMWWQXDSRQTZEA-FUHWJXTLSA-N 2 1 346.515 3.550 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1OC ZINC000502241525 1027993212 /nfs/dbraw/zinc/99/32/12/1027993212.db2.gz MMWWQXDSRQTZEA-FUHWJXTLSA-N 2 1 346.515 3.550 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422868043 1028002342 /nfs/dbraw/zinc/00/23/42/1028002342.db2.gz UEYOZHLWAYOWDN-AVRDEDQJSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422868043 1028002360 /nfs/dbraw/zinc/00/23/60/1028002360.db2.gz UEYOZHLWAYOWDN-AVRDEDQJSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422868043 1028002375 /nfs/dbraw/zinc/00/23/75/1028002375.db2.gz UEYOZHLWAYOWDN-AVRDEDQJSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422868043 1028002393 /nfs/dbraw/zinc/00/23/93/1028002393.db2.gz UEYOZHLWAYOWDN-AVRDEDQJSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422868043 1028002414 /nfs/dbraw/zinc/00/24/14/1028002414.db2.gz UEYOZHLWAYOWDN-AVRDEDQJSA-N 2 1 339.527 3.575 20 0 EHADMP COCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422891993 1028025331 /nfs/dbraw/zinc/02/53/31/1028025331.db2.gz XFTGWNBKBRTIGK-VQTJNVASSA-N 2 1 346.515 3.675 20 0 EHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422902829 1028038227 /nfs/dbraw/zinc/03/82/27/1028038227.db2.gz NSYZQIIKBZBCCV-ROUUACIJSA-N 2 1 329.419 3.763 20 0 EHADMP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422914666 1028049274 /nfs/dbraw/zinc/04/92/74/1028049274.db2.gz VJHOSXHFFFLUHF-DZGCQCFKSA-N 2 1 337.471 3.630 20 0 EHADMP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422922411 1028056545 /nfs/dbraw/zinc/05/65/45/1028056545.db2.gz SQIMGIOAMKAPMK-GDIGMMSISA-N 2 1 332.875 3.576 20 0 EHADMP CC[C@@H]([NH2+]CCc1nc(-c2ccccc2)c(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422930535 1028061994 /nfs/dbraw/zinc/06/19/94/1028061994.db2.gz UTZOQGFJBZLDNL-SJORKVTESA-N 2 1 329.513 3.781 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1sccc1Br ZINC000422944898 1028083709 /nfs/dbraw/zinc/08/37/09/1028083709.db2.gz MEDGLZXETZFSHB-SECBINFHSA-N 2 1 340.290 3.524 20 0 EHADMP C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422950163 1028089711 /nfs/dbraw/zinc/08/97/11/1028089711.db2.gz XFUXRVLJENUJBV-ACJLOTCBSA-N 2 1 345.284 3.736 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)OC(C)C ZINC000423048386 1028134198 /nfs/dbraw/zinc/13/41/98/1028134198.db2.gz HUCCGRHVHMMMDH-DYXWJJEUSA-N 2 1 340.467 3.896 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423060453 1028153783 /nfs/dbraw/zinc/15/37/83/1028153783.db2.gz OKQSDTPHIHVKOW-DLBZAZTESA-N 2 1 331.257 3.992 20 0 EHADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423076177 1028162945 /nfs/dbraw/zinc/16/29/45/1028162945.db2.gz YILNZWITKIKUNS-DJIMGWMZSA-N 2 1 328.456 3.842 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1F ZINC000423113520 1028206901 /nfs/dbraw/zinc/20/69/01/1028206901.db2.gz ULFPEICWWHRMTO-KYTZWMPUSA-N 2 1 327.241 3.522 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCCC[C@@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000414720727 1028245882 /nfs/dbraw/zinc/24/58/82/1028245882.db2.gz CXVADPWIACQMKT-FHWLQOOXSA-N 2 1 344.547 3.673 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H](C)c1ccc(Cl)cc1 ZINC000423181062 1028250274 /nfs/dbraw/zinc/25/02/74/1028250274.db2.gz CDDPTFPASMSHRX-JKSUJKDBSA-N 2 1 331.891 3.997 20 0 EHADMP C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284840 1028323066 /nfs/dbraw/zinc/32/30/66/1028323066.db2.gz XFNKMDRSJYECGS-JLTOFOAXSA-N 2 1 328.431 3.793 20 0 EHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284840 1028323083 /nfs/dbraw/zinc/32/30/83/1028323083.db2.gz XFNKMDRSJYECGS-JLTOFOAXSA-N 2 1 328.431 3.793 20 0 EHADMP C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284841 1028324440 /nfs/dbraw/zinc/32/44/40/1028324440.db2.gz XFNKMDRSJYECGS-VBKZILBWSA-N 2 1 328.431 3.793 20 0 EHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284841 1028324454 /nfs/dbraw/zinc/32/44/54/1028324454.db2.gz XFNKMDRSJYECGS-VBKZILBWSA-N 2 1 328.431 3.793 20 0 EHADMP [NH3+]C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000423269217 1028332096 /nfs/dbraw/zinc/33/20/96/1028332096.db2.gz VQBDHIQBPZDDAE-LRSLUSHPSA-N 2 1 341.543 3.679 20 0 EHADMP CC[C@H]1CCC[C@@H](C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000421380900 1028351434 /nfs/dbraw/zinc/35/14/34/1028351434.db2.gz WLIQOIYTBXYZGP-VQTJNVASSA-N 2 1 335.580 3.695 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423304782 1028358185 /nfs/dbraw/zinc/35/81/85/1028358185.db2.gz ZLJMAGVLFDGMJV-RISCZKNCSA-N 2 1 331.273 3.626 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3([NH3+])CCC3)s2)cc1 ZINC000423323454 1028360257 /nfs/dbraw/zinc/36/02/57/1028360257.db2.gz JLVQNMOTGOSGMA-GFCCVEGCSA-N 2 1 331.485 3.659 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161970555 1028384947 /nfs/dbraw/zinc/38/49/47/1028384947.db2.gz XGQARUXWWMEGSB-LLVKDONJSA-N 2 1 329.341 3.775 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000423363602 1028390510 /nfs/dbraw/zinc/39/05/10/1028390510.db2.gz AQMJCZYNUXXTAS-OSMZGAPFSA-N 2 1 341.318 3.716 20 0 EHADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OCc1ccccc1 ZINC000068353232 1028396513 /nfs/dbraw/zinc/39/65/13/1028396513.db2.gz NFALIAQMHDXKRV-KRWDZBQOSA-N 2 1 342.483 3.704 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]1 ZINC000414744144 1028442075 /nfs/dbraw/zinc/44/20/75/1028442075.db2.gz HXEDIVIZXVXCPV-QLFBSQMISA-N 2 1 331.435 3.534 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CCC3)cc1 ZINC000423436037 1028444289 /nfs/dbraw/zinc/44/42/89/1028444289.db2.gz FERLZVTVDOTSGT-YWPYICTPSA-N 2 1 331.485 3.521 20 0 EHADMP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc2cc(OC)ccc2c1 ZINC000423435123 1028444486 /nfs/dbraw/zinc/44/44/86/1028444486.db2.gz SERJSATVHHKOIG-RTWAWAEBSA-N 2 1 342.483 3.658 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479458 1028462195 /nfs/dbraw/zinc/46/21/95/1028462195.db2.gz VHRCIEVOVRPASM-NHYWBVRUSA-N 2 1 336.277 3.635 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccccc1 ZINC000423505618 1028469244 /nfs/dbraw/zinc/46/92/44/1028469244.db2.gz OOVPTUUMBUHDSV-OXJNMPFZSA-N 2 1 349.482 3.707 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1OC ZINC000246414788 1028480251 /nfs/dbraw/zinc/48/02/51/1028480251.db2.gz MSDSFSNGUXRXRC-XUVXKRRUSA-N 2 1 346.515 3.504 20 0 EHADMP CSC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423546486 1028509092 /nfs/dbraw/zinc/50/90/92/1028509092.db2.gz FINSKJGWZZXDST-OAHLLOKOSA-N 2 1 332.435 3.841 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414751176 1028519407 /nfs/dbraw/zinc/51/94/07/1028519407.db2.gz SECKXWDAYBMRLN-HIFRSBDPSA-N 2 1 345.314 3.566 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCn2cccn2)C1 ZINC000072965589 1028529685 /nfs/dbraw/zinc/52/96/85/1028529685.db2.gz VPDODSOLZFCZPT-VQTJNVASSA-N 2 1 332.536 3.640 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000072965589 1028529696 /nfs/dbraw/zinc/52/96/96/1028529696.db2.gz VPDODSOLZFCZPT-VQTJNVASSA-N 2 1 332.536 3.640 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000247097391 1028744755 /nfs/dbraw/zinc/74/47/55/1028744755.db2.gz PUZMJAFUAWIOCW-UTKZUKDTSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOCC(F)(F)F)C1 ZINC000247107482 1028745451 /nfs/dbraw/zinc/74/54/51/1028745451.db2.gz XPKSKDJWWICXBN-CVEARBPZSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000247107482 1028745463 /nfs/dbraw/zinc/74/54/63/1028745463.db2.gz XPKSKDJWWICXBN-CVEARBPZSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000247107482 1028745476 /nfs/dbraw/zinc/74/54/76/1028745476.db2.gz XPKSKDJWWICXBN-CVEARBPZSA-N 2 1 336.442 3.542 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122911265 1028770221 /nfs/dbraw/zinc/77/02/21/1028770221.db2.gz XKWUIFIBIIQCIF-SFTDATJTSA-N 2 1 343.559 3.576 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccncc1Cl ZINC000421827421 1028816985 /nfs/dbraw/zinc/81/69/85/1028816985.db2.gz XOVDOHYGUNAORW-CQSZACIVSA-N 2 1 333.863 3.526 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414776379 1028828699 /nfs/dbraw/zinc/82/86/99/1028828699.db2.gz HFJNDUJUKDBWRY-QWHCGFSZSA-N 2 1 343.334 3.641 20 0 EHADMP CC[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000247978360 1028834837 /nfs/dbraw/zinc/83/48/37/1028834837.db2.gz IBISLHNQNSASJI-CROMKPASSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000247978360 1028834856 /nfs/dbraw/zinc/83/48/56/1028834856.db2.gz IBISLHNQNSASJI-CROMKPASSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000247978360 1028834873 /nfs/dbraw/zinc/83/48/73/1028834873.db2.gz IBISLHNQNSASJI-CROMKPASSA-N 2 1 341.543 3.502 20 0 EHADMP CCN(CC[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000524082023 1028842835 /nfs/dbraw/zinc/84/28/35/1028842835.db2.gz ODTYEJLXDZJWJR-PZJWPPBQSA-N 2 1 329.532 3.630 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000248433210 1028899633 /nfs/dbraw/zinc/89/96/33/1028899633.db2.gz CXGCWFDKNNMLBO-SJLPKXTDSA-N 2 1 331.504 3.664 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598982 1028907813 /nfs/dbraw/zinc/90/78/13/1028907813.db2.gz IHJCGUKIXRSGHI-OLZOCXBDSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598982 1028907833 /nfs/dbraw/zinc/90/78/33/1028907833.db2.gz IHJCGUKIXRSGHI-OLZOCXBDSA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598982 1028907854 /nfs/dbraw/zinc/90/78/54/1028907854.db2.gz IHJCGUKIXRSGHI-OLZOCXBDSA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245598982 1028907873 /nfs/dbraw/zinc/90/78/73/1028907873.db2.gz IHJCGUKIXRSGHI-OLZOCXBDSA-N 2 1 347.450 3.826 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(C(C)C)cc3)C2)CC1 ZINC000248452637 1028910270 /nfs/dbraw/zinc/91/02/70/1028910270.db2.gz JQTOISGESLLGJY-WIYYLYMNSA-N 2 1 329.532 3.583 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424292876 1028934637 /nfs/dbraw/zinc/93/46/37/1028934637.db2.gz ONJYONTXZDQQSY-INIZCTEOSA-N 2 1 325.456 3.614 20 0 EHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000245626031 1028938619 /nfs/dbraw/zinc/93/86/19/1028938619.db2.gz STKHNHQRONMUNT-HUUCEWRRSA-N 2 1 339.549 3.556 20 0 EHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000245626031 1028938625 /nfs/dbraw/zinc/93/86/25/1028938625.db2.gz STKHNHQRONMUNT-HUUCEWRRSA-N 2 1 339.549 3.556 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424298062 1028939614 /nfs/dbraw/zinc/93/96/14/1028939614.db2.gz TVRJLILQZJQWKO-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280817 1028955486 /nfs/dbraw/zinc/95/54/86/1028955486.db2.gz HYZSZVZIECVFSQ-UKRRQHHQSA-N 2 1 335.492 3.888 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248873349 1028960978 /nfs/dbraw/zinc/96/09/78/1028960978.db2.gz INKJKYJNVRCXIU-UXDRXVOSSA-N 2 1 347.934 3.690 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414782343 1028974544 /nfs/dbraw/zinc/97/45/44/1028974544.db2.gz OLBTVXYMIZGGOD-JKSUJKDBSA-N 2 1 344.890 3.552 20 0 EHADMP CC1(C)[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000245656317 1028981655 /nfs/dbraw/zinc/98/16/55/1028981655.db2.gz DPSVQSWFHQGBSI-NXMWLWCLSA-N 2 1 340.511 3.585 20 0 EHADMP CC[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000503029367 1028989487 /nfs/dbraw/zinc/98/94/87/1028989487.db2.gz ZHDHFUQOUWEGDA-LJQANCHMSA-N 2 1 330.516 3.805 20 0 EHADMP c1csc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]2CCCO2)c1 ZINC000583147870 1029019347 /nfs/dbraw/zinc/01/93/47/1029019347.db2.gz RHRCCAGNGRREIB-LJQANCHMSA-N 2 1 342.508 3.575 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCSCC1 ZINC000249979685 1029035087 /nfs/dbraw/zinc/03/50/87/1029035087.db2.gz LGNZPBYRZVCGSZ-DLBZAZTESA-N 2 1 348.556 3.529 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCSCC1 ZINC000249979685 1029035105 /nfs/dbraw/zinc/03/51/05/1029035105.db2.gz LGNZPBYRZVCGSZ-DLBZAZTESA-N 2 1 348.556 3.529 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414786803 1029041590 /nfs/dbraw/zinc/04/15/90/1029041590.db2.gz UWKUINVGWNZOQU-UONOGXRCSA-N 2 1 344.833 3.763 20 0 EHADMP CCN1CCC([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000077249704 1029090916 /nfs/dbraw/zinc/09/09/16/1029090916.db2.gz XCLDHYRXSVXDAI-UHFFFAOYSA-N 2 1 339.483 3.585 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000077249704 1029090930 /nfs/dbraw/zinc/09/09/30/1029090930.db2.gz XCLDHYRXSVXDAI-UHFFFAOYSA-N 2 1 339.483 3.585 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000077249704 1029090945 /nfs/dbraw/zinc/09/09/45/1029090945.db2.gz XCLDHYRXSVXDAI-UHFFFAOYSA-N 2 1 339.483 3.585 20 0 EHADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(F)F ZINC000657739600 1029123462 /nfs/dbraw/zinc/12/34/62/1029123462.db2.gz SZONIDQXRBXMAI-QGZVFWFLSA-N 2 1 340.433 3.714 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000251594746 1029140278 /nfs/dbraw/zinc/14/02/78/1029140278.db2.gz YGASAKVDSDJUPP-TUAOUCFPSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000251594746 1029140284 /nfs/dbraw/zinc/14/02/84/1029140284.db2.gz YGASAKVDSDJUPP-TUAOUCFPSA-N 2 1 329.307 3.788 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271767954 1029161964 /nfs/dbraw/zinc/16/19/64/1029161964.db2.gz HXLQKMRBAOCYIB-CQSZACIVSA-N 2 1 331.435 3.860 20 0 EHADMP Cn1cncc1CC[N@@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC000459394815 1029163920 /nfs/dbraw/zinc/16/39/20/1029163920.db2.gz HMUKMDNYCXXYNN-LJQANCHMSA-N 2 1 341.499 3.811 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271849259 1029198308 /nfs/dbraw/zinc/19/83/08/1029198308.db2.gz ZMJVUGGAUQFDEV-MRXNPFEDSA-N 2 1 336.439 3.516 20 0 EHADMP CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737563 1029211538 /nfs/dbraw/zinc/21/15/38/1029211538.db2.gz RASIEVMKHRYNBQ-LWYYNNOASA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737554 1029211938 /nfs/dbraw/zinc/21/19/38/1029211938.db2.gz RASIEVMKHRYNBQ-HAGHYFMRSA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414804281 1029216579 /nfs/dbraw/zinc/21/65/79/1029216579.db2.gz XDKAXKNEIKYJGZ-KRWDZBQOSA-N 2 1 340.496 3.674 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743502 1029226896 /nfs/dbraw/zinc/22/68/96/1029226896.db2.gz SAXCSTNEKRGNMT-BIRZXAFVSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245743502 1029226910 /nfs/dbraw/zinc/22/69/10/1029226910.db2.gz SAXCSTNEKRGNMT-BIRZXAFVSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245743502 1029226921 /nfs/dbraw/zinc/22/69/21/1029226921.db2.gz SAXCSTNEKRGNMT-BIRZXAFVSA-N 3 1 341.543 3.644 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692393 1029227373 /nfs/dbraw/zinc/22/73/73/1029227373.db2.gz BGWMSBULASUIIG-OXJNMPFZSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692393 1029227389 /nfs/dbraw/zinc/22/73/89/1029227389.db2.gz BGWMSBULASUIIG-OXJNMPFZSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000252692393 1029227401 /nfs/dbraw/zinc/22/74/01/1029227401.db2.gz BGWMSBULASUIIG-OXJNMPFZSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000252692393 1029227414 /nfs/dbraw/zinc/22/74/14/1029227414.db2.gz BGWMSBULASUIIG-OXJNMPFZSA-N 2 1 339.458 3.823 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272157942 1029337842 /nfs/dbraw/zinc/33/78/42/1029337842.db2.gz FLHMKILSTKYUNG-JXFKEZNVSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CCO1 ZINC001168087193 1029462422 /nfs/dbraw/zinc/46/24/22/1029462422.db2.gz KECZDZJMTRYDMR-LIMACUPBSA-N 2 1 328.500 3.682 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000583269828 1029481316 /nfs/dbraw/zinc/48/13/16/1029481316.db2.gz FNILCMGSQJAQGF-QUCCMNQESA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000583269828 1029481321 /nfs/dbraw/zinc/48/13/21/1029481321.db2.gz FNILCMGSQJAQGF-QUCCMNQESA-N 2 1 330.422 3.932 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261784045 1029504801 /nfs/dbraw/zinc/50/48/01/1029504801.db2.gz FRQQNIGSTFNGCB-YOEHRIQHSA-N 2 1 330.422 3.766 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@@H]1c1cccs1 ZINC000245955689 1029516099 /nfs/dbraw/zinc/51/60/99/1029516099.db2.gz XFICLRCNTFGRQZ-CSFFLVESSA-N 2 1 348.556 3.924 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@@H]1c1cccs1 ZINC000245955689 1029516106 /nfs/dbraw/zinc/51/61/06/1029516106.db2.gz XFICLRCNTFGRQZ-CSFFLVESSA-N 2 1 348.556 3.924 20 0 EHADMP FC(F)(F)c1cccc([C@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000262040405 1029555812 /nfs/dbraw/zinc/55/58/12/1029555812.db2.gz YFYZWHXOIIOTNE-MRXNPFEDSA-N 2 1 344.446 3.795 20 0 EHADMP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262075278 1029557728 /nfs/dbraw/zinc/55/77/28/1029557728.db2.gz SMKFGHHJRAHRQN-LJQANCHMSA-N 2 1 332.394 3.627 20 0 EHADMP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262075278 1029557738 /nfs/dbraw/zinc/55/77/38/1029557738.db2.gz SMKFGHHJRAHRQN-LJQANCHMSA-N 2 1 332.394 3.627 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655764084 1029598365 /nfs/dbraw/zinc/59/83/65/1029598365.db2.gz VKOBOBAKXLJIBO-MAUKXSAKSA-N 2 1 334.529 3.703 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000246048996 1029603003 /nfs/dbraw/zinc/60/30/03/1029603003.db2.gz PFOHEGRNPHGJDZ-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000246048996 1029603007 /nfs/dbraw/zinc/60/30/07/1029603007.db2.gz PFOHEGRNPHGJDZ-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000125933652 1029636593 /nfs/dbraw/zinc/63/65/93/1029636593.db2.gz DXAZWLZBBKCKBA-ICSRJNTNSA-N 2 1 340.515 3.702 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000125933652 1029636600 /nfs/dbraw/zinc/63/66/00/1029636600.db2.gz DXAZWLZBBKCKBA-ICSRJNTNSA-N 2 1 340.515 3.702 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001279615006 1029638205 /nfs/dbraw/zinc/63/82/05/1029638205.db2.gz JBYCUSXANACMLC-FQEVSTJZSA-N 3 1 349.607 3.990 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125954554 1029640043 /nfs/dbraw/zinc/64/00/43/1029640043.db2.gz QSIOYXAJSOCCFG-NSHGMRRFSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125954554 1029640049 /nfs/dbraw/zinc/64/00/49/1029640049.db2.gz QSIOYXAJSOCCFG-NSHGMRRFSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125954554 1029640055 /nfs/dbraw/zinc/64/00/55/1029640055.db2.gz QSIOYXAJSOCCFG-NSHGMRRFSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@H]([NH2+]CCc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714915 1029776117 /nfs/dbraw/zinc/77/61/17/1029776117.db2.gz HVDVDAGUBUXOHD-PXNSSMCTSA-N 2 1 326.459 3.868 20 0 EHADMP COC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C)o1 ZINC000156417382 1029840677 /nfs/dbraw/zinc/84/06/77/1029840677.db2.gz LTGINQRJIUJJOR-APWZRJJASA-N 2 1 346.471 3.567 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@@H](C)C1 ZINC000481737679 1029894865 /nfs/dbraw/zinc/89/48/65/1029894865.db2.gz PEZOOOBTUFKKKM-FPOVZHCZSA-N 2 1 346.559 3.999 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000089615217 1029952966 /nfs/dbraw/zinc/95/29/66/1029952966.db2.gz XSDKGYSGCSYYQM-CVEARBPZSA-N 2 1 348.450 3.859 20 0 EHADMP C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453240285 1029966894 /nfs/dbraw/zinc/96/68/94/1029966894.db2.gz VQOSKAFMFNNTAW-WSWWRLHASA-N 2 1 344.543 3.675 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1cccc(Cl)c1 ZINC000650707896 1030006790 /nfs/dbraw/zinc/00/67/90/1030006790.db2.gz PIKURIWDODSFPU-TWKWOARYSA-N 2 1 336.907 3.662 20 0 EHADMP CCCCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708437 1030026842 /nfs/dbraw/zinc/02/68/42/1030026842.db2.gz ZNAUNSLJAMQGJE-QKNQBKEWSA-N 2 1 346.515 3.584 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000361324407 1030137185 /nfs/dbraw/zinc/13/71/85/1030137185.db2.gz NLMNDVNENHKVRV-LJQANCHMSA-N 2 1 342.531 3.789 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000361324407 1030137194 /nfs/dbraw/zinc/13/71/94/1030137194.db2.gz NLMNDVNENHKVRV-LJQANCHMSA-N 2 1 342.531 3.789 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000361324407 1030137204 /nfs/dbraw/zinc/13/72/04/1030137204.db2.gz NLMNDVNENHKVRV-LJQANCHMSA-N 2 1 342.531 3.789 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000481975450 1030142927 /nfs/dbraw/zinc/14/29/27/1030142927.db2.gz SFJCLAAGSIIZKL-TUNNFDKTSA-N 2 1 343.559 3.607 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121049585 1030167336 /nfs/dbraw/zinc/16/73/36/1030167336.db2.gz ZISWRBMQBYBMEH-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121049585 1030167338 /nfs/dbraw/zinc/16/73/38/1030167338.db2.gz ZISWRBMQBYBMEH-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121049585 1030167342 /nfs/dbraw/zinc/16/73/42/1030167342.db2.gz ZISWRBMQBYBMEH-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)cc2)CC1 ZINC000121049585 1030167343 /nfs/dbraw/zinc/16/73/43/1030167343.db2.gz ZISWRBMQBYBMEH-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722463 1030192789 /nfs/dbraw/zinc/19/27/89/1030192789.db2.gz UKGXOYRLKFNUHQ-VAMGGRTRSA-N 2 1 330.516 3.845 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000121223648 1030213018 /nfs/dbraw/zinc/21/30/18/1030213018.db2.gz YDTXGXOKCQEHDI-ZBFHGGJFSA-N 2 1 326.431 3.541 20 0 EHADMP C[C@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724086 1030218519 /nfs/dbraw/zinc/21/85/19/1030218519.db2.gz YERKYKJYTOHDAI-GFOJFJKKSA-N 2 1 330.516 3.616 20 0 EHADMP C[C@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724088 1030219845 /nfs/dbraw/zinc/21/98/45/1030219845.db2.gz YERKYKJYTOHDAI-WLRLJWMZSA-N 2 1 330.516 3.616 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2cc(Br)ccc21)C1CC1 ZINC000453408154 1030219582 /nfs/dbraw/zinc/21/95/82/1030219582.db2.gz SIACBFKALATGCX-QGZVFWFLSA-N 2 1 337.305 3.900 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc(-c2ccccc2)n1C ZINC000453409427 1030219666 /nfs/dbraw/zinc/21/96/66/1030219666.db2.gz UDGNVHMZTYBOKM-INIZCTEOSA-N 2 1 326.488 3.612 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000650724064 1030220495 /nfs/dbraw/zinc/22/04/95/1030220495.db2.gz XVETUYKAULHQOY-DJIMGWMZSA-N 2 1 343.298 3.854 20 0 EHADMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000453395296 1030247088 /nfs/dbraw/zinc/24/70/88/1030247088.db2.gz HPVYARSKCVGLQQ-UHFFFAOYSA-N 2 1 349.950 3.768 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447589490 1030325523 /nfs/dbraw/zinc/32/55/23/1030325523.db2.gz XWOXHPSFBDSHQF-UHZRXMQZSA-N 2 1 328.500 3.585 20 0 EHADMP COc1cc(Cl)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC000453590110 1030380358 /nfs/dbraw/zinc/38/03/58/1030380358.db2.gz AOYREXJKMNIEDB-UHFFFAOYSA-N 2 1 331.287 3.966 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC000526057657 1030396068 /nfs/dbraw/zinc/39/60/68/1030396068.db2.gz MQNUDOGFHCYQHU-KNKQGSTJSA-N 2 1 344.543 3.518 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000092389212 1030445536 /nfs/dbraw/zinc/44/55/36/1030445536.db2.gz PUUZVASOXBYEMK-CQSZACIVSA-N 2 1 326.469 3.741 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244461 1030509644 /nfs/dbraw/zinc/50/96/44/1030509644.db2.gz PULZGNRRIXHTEC-IRXDYDNUSA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244461 1030509657 /nfs/dbraw/zinc/50/96/57/1030509657.db2.gz PULZGNRRIXHTEC-IRXDYDNUSA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244461 1030509672 /nfs/dbraw/zinc/50/96/72/1030509672.db2.gz PULZGNRRIXHTEC-IRXDYDNUSA-N 2 1 326.406 3.925 20 0 EHADMP COc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000381461302 1030587805 /nfs/dbraw/zinc/58/78/05/1030587805.db2.gz VWYKCWPBFPJCMG-RTWAWAEBSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000381461302 1030587812 /nfs/dbraw/zinc/58/78/12/1030587812.db2.gz VWYKCWPBFPJCMG-RTWAWAEBSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000381461302 1030587819 /nfs/dbraw/zinc/58/78/19/1030587819.db2.gz VWYKCWPBFPJCMG-RTWAWAEBSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccc2oc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000093564206 1030631611 /nfs/dbraw/zinc/63/16/11/1030631611.db2.gz YWGWWDDKWROBEA-QGZVFWFLSA-N 2 1 328.456 3.892 20 0 EHADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000093564206 1030631627 /nfs/dbraw/zinc/63/16/27/1030631627.db2.gz YWGWWDDKWROBEA-QGZVFWFLSA-N 2 1 328.456 3.892 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000157593698 1030654033 /nfs/dbraw/zinc/65/40/33/1030654033.db2.gz UZAVVFCLWBOAGX-OALUTQOASA-N 2 1 340.515 3.826 20 0 EHADMP Fc1c(Cl)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735173 1030667097 /nfs/dbraw/zinc/66/70/97/1030667097.db2.gz WPEPYWHICOJHHN-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([NH2+]CC2CC2)CC1 ZINC000470014797 1030801496 /nfs/dbraw/zinc/80/14/96/1030801496.db2.gz GEEGYKIVEARYNT-UHFFFAOYSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2s1 ZINC000527351411 1030843257 /nfs/dbraw/zinc/84/32/57/1030843257.db2.gz JXNWZCUCVSTGGG-WBVHZDCISA-N 2 1 332.513 3.645 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000380420013 1030915343 /nfs/dbraw/zinc/91/53/43/1030915343.db2.gz JRNDFXPRYICPIK-YQQAZPJKSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000537695638 1031025692 /nfs/dbraw/zinc/02/56/92/1031025692.db2.gz AKHSJUKNOCRIFP-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000537695638 1031025698 /nfs/dbraw/zinc/02/56/98/1031025698.db2.gz AKHSJUKNOCRIFP-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000537695638 1031025711 /nfs/dbraw/zinc/02/57/11/1031025711.db2.gz AKHSJUKNOCRIFP-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000551258915 1031163982 /nfs/dbraw/zinc/16/39/82/1031163982.db2.gz LUOHIUNWERXMOF-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762604 1031186680 /nfs/dbraw/zinc/18/66/80/1031186680.db2.gz KUNRVOQYYCAAIK-DYESRHJHSA-N 2 1 348.494 3.716 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762604 1031186685 /nfs/dbraw/zinc/18/66/85/1031186685.db2.gz KUNRVOQYYCAAIK-DYESRHJHSA-N 2 1 348.494 3.716 20 0 EHADMP CCN(CC)[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551281162 1031190960 /nfs/dbraw/zinc/19/09/60/1031190960.db2.gz VSGQPGGSMDVFSD-KMFTYDHNSA-N 2 1 331.548 3.750 20 0 EHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000551281162 1031190964 /nfs/dbraw/zinc/19/09/64/1031190964.db2.gz VSGQPGGSMDVFSD-KMFTYDHNSA-N 3 1 331.548 3.750 20 0 EHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551281162 1031190971 /nfs/dbraw/zinc/19/09/71/1031190971.db2.gz VSGQPGGSMDVFSD-KMFTYDHNSA-N 3 1 331.548 3.750 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2O1 ZINC000537698923 1031225398 /nfs/dbraw/zinc/22/53/98/1031225398.db2.gz YXMNYABGDUPFOS-XLIONFOSSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2O1 ZINC000537698923 1031225412 /nfs/dbraw/zinc/22/54/12/1031225412.db2.gz YXMNYABGDUPFOS-XLIONFOSSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2O1 ZINC000537698923 1031225429 /nfs/dbraw/zinc/22/54/29/1031225429.db2.gz YXMNYABGDUPFOS-XLIONFOSSA-N 2 1 340.511 3.849 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@@H+]1C ZINC000483743161 1031312637 /nfs/dbraw/zinc/31/26/37/1031312637.db2.gz MXXNHZHRAAXWPE-NSODJVPESA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@H+]1C ZINC000483743161 1031312647 /nfs/dbraw/zinc/31/26/47/1031312647.db2.gz MXXNHZHRAAXWPE-NSODJVPESA-N 2 1 341.268 3.648 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)ccn2)c1C ZINC000483846655 1031362652 /nfs/dbraw/zinc/36/26/52/1031362652.db2.gz CRTNVNPZBZVXRO-VQIMIIECSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)ccn2)c1C ZINC000483846655 1031362667 /nfs/dbraw/zinc/36/26/67/1031362667.db2.gz CRTNVNPZBZVXRO-VQIMIIECSA-N 2 1 339.483 3.921 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964152 1031418763 /nfs/dbraw/zinc/41/87/63/1031418763.db2.gz JJXFOOZVJHJJMC-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964152 1031418774 /nfs/dbraw/zinc/41/87/74/1031418774.db2.gz JJXFOOZVJHJJMC-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964152 1031418791 /nfs/dbraw/zinc/41/87/91/1031418791.db2.gz JJXFOOZVJHJJMC-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964152 1031418802 /nfs/dbraw/zinc/41/88/02/1031418802.db2.gz JJXFOOZVJHJJMC-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000176387093 1031431275 /nfs/dbraw/zinc/43/12/75/1031431275.db2.gz ZHDCGYAWLKPAKZ-HXUWFJFHSA-N 2 1 328.500 3.732 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000484125360 1031459196 /nfs/dbraw/zinc/45/91/96/1031459196.db2.gz BNQCRYYFGJVTEJ-QWFCFKBJSA-N 2 1 331.548 3.826 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484140959 1031466632 /nfs/dbraw/zinc/46/66/32/1031466632.db2.gz GTLBMIBMAJTNFN-PGRDOPGGSA-N 2 1 338.495 3.537 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484140959 1031466642 /nfs/dbraw/zinc/46/66/42/1031466642.db2.gz GTLBMIBMAJTNFN-PGRDOPGGSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484137695 1031477506 /nfs/dbraw/zinc/47/75/06/1031477506.db2.gz DWZNAKRKYZQFEN-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484137695 1031477515 /nfs/dbraw/zinc/47/75/15/1031477515.db2.gz DWZNAKRKYZQFEN-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484165531 1031483408 /nfs/dbraw/zinc/48/34/08/1031483408.db2.gz SQRQHOLXYAQFTO-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484165531 1031483410 /nfs/dbraw/zinc/48/34/10/1031483410.db2.gz SQRQHOLXYAQFTO-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP COCCC1CC[NH+]([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000527933902 1031496502 /nfs/dbraw/zinc/49/65/02/1031496502.db2.gz JDBDUTJGLIYDAL-MRXNPFEDSA-N 2 1 327.472 3.990 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000527982146 1031519460 /nfs/dbraw/zinc/51/94/60/1031519460.db2.gz QWSXOIYKYOOKLQ-BMIGLBTASA-N 2 1 347.247 3.547 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194872428 1031579395 /nfs/dbraw/zinc/57/93/95/1031579395.db2.gz BJWXQCDEUNYCNX-BBWFWOEESA-N 2 1 336.545 3.949 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@@H]4CCCCO4)C3)C2)cc1 ZINC000347412370 1031625864 /nfs/dbraw/zinc/62/58/64/1031625864.db2.gz AFHAMNSZBJSDRS-FCHUYYIVSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@@H]4CCCCO4)C3)C2)cc1 ZINC000347412370 1031625876 /nfs/dbraw/zinc/62/58/76/1031625876.db2.gz AFHAMNSZBJSDRS-FCHUYYIVSA-N 2 1 342.527 3.934 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551806056 1031665423 /nfs/dbraw/zinc/66/54/23/1031665423.db2.gz LZGQGVSSQFWDCX-QZTJIDSGSA-N 2 1 332.536 3.764 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)c1 ZINC000121554970 1031723674 /nfs/dbraw/zinc/72/36/74/1031723674.db2.gz GUEIGCAIAMYVBJ-KANFNMMFSA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)c1 ZINC000121554970 1031723682 /nfs/dbraw/zinc/72/36/82/1031723682.db2.gz GUEIGCAIAMYVBJ-KANFNMMFSA-N 2 1 346.540 3.507 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)C1 ZINC000657834798 1031912491 /nfs/dbraw/zinc/91/24/91/1031912491.db2.gz BRALVZCWWUWITB-FXAWDEMLSA-N 2 1 328.500 3.720 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000904412897 1032023889 /nfs/dbraw/zinc/02/38/89/1032023889.db2.gz YUPWIVXZYHGIEV-FUHWJXTLSA-N 2 1 325.456 3.599 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000657837181 1032041603 /nfs/dbraw/zinc/04/16/03/1032041603.db2.gz REZGKBBDPSYGQM-FXAWDEMLSA-N 2 1 338.499 3.882 20 0 EHADMP c1nc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc2[nH]1 ZINC000536656875 1032047275 /nfs/dbraw/zinc/04/72/75/1032047275.db2.gz DTUNTULESISFAF-SFHVURJKSA-N 2 1 326.488 3.651 20 0 EHADMP c1nc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc2[nH]1 ZINC000536656875 1032047282 /nfs/dbraw/zinc/04/72/82/1032047282.db2.gz DTUNTULESISFAF-SFHVURJKSA-N 2 1 326.488 3.651 20 0 EHADMP c1nc2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2[nH]1 ZINC000536656875 1032047298 /nfs/dbraw/zinc/04/72/98/1032047298.db2.gz DTUNTULESISFAF-SFHVURJKSA-N 2 1 326.488 3.651 20 0 EHADMP c1nc2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2[nH]1 ZINC000536656875 1032047317 /nfs/dbraw/zinc/04/73/17/1032047317.db2.gz DTUNTULESISFAF-SFHVURJKSA-N 2 1 326.488 3.651 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000195138147 1032052287 /nfs/dbraw/zinc/05/22/87/1032052287.db2.gz FLRWOHBAAJUFAW-WMZOPIPTSA-N 2 1 338.451 3.588 20 0 EHADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574754613 1033357096 /nfs/dbraw/zinc/35/70/96/1033357096.db2.gz HYDGEFRBZDONHN-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000574754613 1033357107 /nfs/dbraw/zinc/35/71/07/1033357107.db2.gz HYDGEFRBZDONHN-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000898169852 1033364802 /nfs/dbraw/zinc/36/48/02/1033364802.db2.gz RAZAUIQBRYYDES-MRXNPFEDSA-N 2 1 335.451 3.566 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000685470325 1033367108 /nfs/dbraw/zinc/36/71/08/1033367108.db2.gz FRWLNWGJAWQMCR-XYJFISCASA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000685470325 1033367125 /nfs/dbraw/zinc/36/71/25/1033367125.db2.gz FRWLNWGJAWQMCR-XYJFISCASA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000685470325 1033367139 /nfs/dbraw/zinc/36/71/39/1033367139.db2.gz FRWLNWGJAWQMCR-XYJFISCASA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000685470325 1033367153 /nfs/dbraw/zinc/36/71/53/1033367153.db2.gz FRWLNWGJAWQMCR-XYJFISCASA-N 2 1 334.504 3.645 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000685476417 1033381575 /nfs/dbraw/zinc/38/15/75/1033381575.db2.gz PNDRNHCKBRDBNW-IBGZPJMESA-N 2 1 341.543 3.839 20 0 EHADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000898251606 1033408956 /nfs/dbraw/zinc/40/89/56/1033408956.db2.gz FVKPSAQJAXJCBN-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000898251606 1033408958 /nfs/dbraw/zinc/40/89/58/1033408958.db2.gz FVKPSAQJAXJCBN-NRFANRHFSA-N 2 1 335.495 3.719 20 0 EHADMP CCc1ncc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)s1 ZINC000309651018 1033518287 /nfs/dbraw/zinc/51/82/87/1033518287.db2.gz ADNHUDQXXMHVHF-LJQANCHMSA-N 2 1 329.513 3.707 20 0 EHADMP CCc1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309651018 1033518293 /nfs/dbraw/zinc/51/82/93/1033518293.db2.gz ADNHUDQXXMHVHF-LJQANCHMSA-N 2 1 329.513 3.707 20 0 EHADMP CCc1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309651018 1033518304 /nfs/dbraw/zinc/51/83/04/1033518304.db2.gz ADNHUDQXXMHVHF-LJQANCHMSA-N 2 1 329.513 3.707 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289563342 1033557931 /nfs/dbraw/zinc/55/79/31/1033557931.db2.gz LFJFDOSPPIOUSE-FQEVSTJZSA-N 2 1 340.515 3.856 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289563342 1033557941 /nfs/dbraw/zinc/55/79/41/1033557941.db2.gz LFJFDOSPPIOUSE-FQEVSTJZSA-N 2 1 340.515 3.856 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708582464 1033571378 /nfs/dbraw/zinc/57/13/78/1033571378.db2.gz UUYTWMBWIDSKIS-VQIMIIECSA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708582464 1033571388 /nfs/dbraw/zinc/57/13/88/1033571388.db2.gz UUYTWMBWIDSKIS-VQIMIIECSA-N 2 1 342.458 3.692 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2OC(F)F)C[C@@H]1C ZINC000659983275 1033739491 /nfs/dbraw/zinc/73/94/91/1033739491.db2.gz IONZNFWSNYIGMZ-JSGCOSHPSA-N 2 1 330.394 3.732 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168306312 1033768285 /nfs/dbraw/zinc/76/82/85/1033768285.db2.gz WGTBAGYLDBKKNP-NEBFTCOFSA-N 3 1 329.532 3.631 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550644640 1033808133 /nfs/dbraw/zinc/80/81/33/1033808133.db2.gz WDHWZOQFEGHIGS-HMXCVIKNSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550644640 1033808146 /nfs/dbraw/zinc/80/81/46/1033808146.db2.gz WDHWZOQFEGHIGS-HMXCVIKNSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550644640 1033808156 /nfs/dbraw/zinc/80/81/56/1033808156.db2.gz WDHWZOQFEGHIGS-HMXCVIKNSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550644640 1033808169 /nfs/dbraw/zinc/80/81/69/1033808169.db2.gz WDHWZOQFEGHIGS-HMXCVIKNSA-N 3 1 329.532 3.532 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550644640 1033808183 /nfs/dbraw/zinc/80/81/83/1033808183.db2.gz WDHWZOQFEGHIGS-HMXCVIKNSA-N 3 1 329.532 3.532 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCn2nccc21 ZINC000658004957 1033837021 /nfs/dbraw/zinc/83/70/21/1033837021.db2.gz VFEYFLBRCIPNEU-QUCCMNQESA-N 2 1 338.499 3.608 20 0 EHADMP Clc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655771414 1033838961 /nfs/dbraw/zinc/83/89/61/1033838961.db2.gz KAPRXDYAOBIDKO-KBAYOESNSA-N 2 1 348.918 3.819 20 0 EHADMP c1ccc([C@@H]2CCC[C@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655771311 1033850321 /nfs/dbraw/zinc/85/03/21/1033850321.db2.gz HAYHMWCXWNPAOZ-NNWRFLSQSA-N 2 1 342.527 3.803 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CO1 ZINC000658061813 1033877995 /nfs/dbraw/zinc/87/79/95/1033877995.db2.gz VPEWTVQNXZQFCV-VNTMZGSJSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000550700122 1033878199 /nfs/dbraw/zinc/87/81/99/1033878199.db2.gz BSEBJOJEZOEUCF-FCEUIQTBSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550700122 1033878216 /nfs/dbraw/zinc/87/82/16/1033878216.db2.gz BSEBJOJEZOEUCF-FCEUIQTBSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550700122 1033878234 /nfs/dbraw/zinc/87/82/34/1033878234.db2.gz BSEBJOJEZOEUCF-FCEUIQTBSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550700122 1033878245 /nfs/dbraw/zinc/87/82/45/1033878245.db2.gz BSEBJOJEZOEUCF-FCEUIQTBSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550700122 1033878263 /nfs/dbraw/zinc/87/82/63/1033878263.db2.gz BSEBJOJEZOEUCF-FCEUIQTBSA-N 2 1 343.559 3.780 20 0 EHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635711209 1033972706 /nfs/dbraw/zinc/97/27/06/1033972706.db2.gz ILNJCNNAQAWVTL-UHFFFAOYSA-N 2 1 340.471 3.549 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658122672 1033978565 /nfs/dbraw/zinc/97/85/65/1033978565.db2.gz HBKOUWIMILOULE-YTFSRNRJSA-N 2 1 349.522 3.965 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658142735 1033987597 /nfs/dbraw/zinc/98/75/97/1033987597.db2.gz WGMZKFJGNXITHE-MAUKXSAKSA-N 2 1 344.524 3.728 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658138627 1034001856 /nfs/dbraw/zinc/00/18/56/1034001856.db2.gz JOFNXWHAEREJON-JTSKRJEESA-N 2 1 338.495 3.666 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000450409053 1034261117 /nfs/dbraw/zinc/26/11/17/1034261117.db2.gz WUUOIHQXIIDGFS-GPQLQYNLSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000450409053 1034261129 /nfs/dbraw/zinc/26/11/29/1034261129.db2.gz WUUOIHQXIIDGFS-GPQLQYNLSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000450409053 1034261139 /nfs/dbraw/zinc/26/11/39/1034261139.db2.gz WUUOIHQXIIDGFS-GPQLQYNLSA-N 2 1 344.543 3.737 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686673 1034277030 /nfs/dbraw/zinc/27/70/30/1034277030.db2.gz VGQUUMIGCCBAAR-HZEGPAAWSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686673 1034277047 /nfs/dbraw/zinc/27/70/47/1034277047.db2.gz VGQUUMIGCCBAAR-HZEGPAAWSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686673 1034277059 /nfs/dbraw/zinc/27/70/59/1034277059.db2.gz VGQUUMIGCCBAAR-HZEGPAAWSA-N 2 1 330.516 3.959 20 0 EHADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000596691583 1034353556 /nfs/dbraw/zinc/35/35/56/1034353556.db2.gz KQNCSSJHZWXIOF-JOCHJYFZSA-N 2 1 338.495 3.536 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349778 1034423533 /nfs/dbraw/zinc/42/35/33/1034423533.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349778 1034423539 /nfs/dbraw/zinc/42/35/39/1034423539.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349778 1034423551 /nfs/dbraw/zinc/42/35/51/1034423551.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349778 1034423561 /nfs/dbraw/zinc/42/35/61/1034423561.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349778 1034423574 /nfs/dbraw/zinc/42/35/74/1034423574.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349778 1034423587 /nfs/dbraw/zinc/42/35/87/1034423587.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349778 1034423595 /nfs/dbraw/zinc/42/35/95/1034423595.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349778 1034423606 /nfs/dbraw/zinc/42/36/06/1034423606.db2.gz OFTNMWMAZZVLAS-AEFFLSMTSA-N 2 1 326.488 3.649 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@H]1c1ccccc1 ZINC000340393079 1034498566 /nfs/dbraw/zinc/49/85/66/1034498566.db2.gz JANRUPFHGYBUDP-UXHICEINSA-N 2 1 335.495 3.928 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@H]1c1ccccc1 ZINC000340393079 1034498580 /nfs/dbraw/zinc/49/85/80/1034498580.db2.gz JANRUPFHGYBUDP-UXHICEINSA-N 2 1 335.495 3.928 20 0 EHADMP O=C(CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601450 1034555104 /nfs/dbraw/zinc/55/51/04/1034555104.db2.gz PQNRDFXURDUFDI-AZUAARDMSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601450 1034555117 /nfs/dbraw/zinc/55/51/17/1034555117.db2.gz PQNRDFXURDUFDI-AZUAARDMSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601450 1034555128 /nfs/dbraw/zinc/55/51/28/1034555128.db2.gz PQNRDFXURDUFDI-AZUAARDMSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601450 1034555137 /nfs/dbraw/zinc/55/51/37/1034555137.db2.gz PQNRDFXURDUFDI-AZUAARDMSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601450 1034555149 /nfs/dbraw/zinc/55/51/49/1034555149.db2.gz PQNRDFXURDUFDI-AZUAARDMSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000450601450 1034555159 /nfs/dbraw/zinc/55/51/59/1034555159.db2.gz PQNRDFXURDUFDI-AZUAARDMSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601450 1034555168 /nfs/dbraw/zinc/55/51/68/1034555168.db2.gz PQNRDFXURDUFDI-AZUAARDMSA-N 2 1 326.484 3.598 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000534495255 1034605754 /nfs/dbraw/zinc/60/57/54/1034605754.db2.gz RPRHXDKRXLEPGS-GOSISDBHSA-N 2 1 349.588 3.867 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450758615 1034780670 /nfs/dbraw/zinc/78/06/70/1034780670.db2.gz NRQCJCYQMSPEEI-BBWFWOEESA-N 2 1 332.479 3.539 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000375905560 1034883284 /nfs/dbraw/zinc/88/32/84/1034883284.db2.gz SWVABHBSZDUIAQ-VQIMIIECSA-N 2 1 335.923 3.501 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480672 1034920651 /nfs/dbraw/zinc/92/06/51/1034920651.db2.gz XCQFTJBGADTGDE-RDJZCZTQSA-N 2 1 342.405 3.592 20 0 EHADMP COC(=O)C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCCC1 ZINC001168125811 1034947092 /nfs/dbraw/zinc/94/70/92/1034947092.db2.gz LYHSRRUCKBDPKI-UHFFFAOYSA-N 2 1 344.499 3.590 20 0 EHADMP COC(=O)C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCCC1 ZINC001168125811 1034947101 /nfs/dbraw/zinc/94/71/01/1034947101.db2.gz LYHSRRUCKBDPKI-UHFFFAOYSA-N 2 1 344.499 3.590 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1Br ZINC000121435375 1034950461 /nfs/dbraw/zinc/95/04/61/1034950461.db2.gz UQGLJVWOUKWJBA-OLZOCXBDSA-N 2 1 336.277 3.941 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414053825 1035409787 /nfs/dbraw/zinc/40/97/87/1035409787.db2.gz BABNCXGRQNEDCM-KRWDZBQOSA-N 2 1 338.499 3.666 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000571551820 1035553861 /nfs/dbraw/zinc/55/38/61/1035553861.db2.gz VFOTVKJILOKIGP-QFIPXVFZSA-N 2 1 340.511 3.610 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000414176741 1035907507 /nfs/dbraw/zinc/90/75/07/1035907507.db2.gz ICDCBOMESACSFO-CEWLAPEOSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000414176741 1035907522 /nfs/dbraw/zinc/90/75/22/1035907522.db2.gz ICDCBOMESACSFO-CEWLAPEOSA-N 2 1 339.483 3.763 20 0 EHADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689943 1035974995 /nfs/dbraw/zinc/97/49/95/1035974995.db2.gz UCCSSIRBSFMPRX-LEWJYISDSA-N 2 1 326.484 3.610 20 0 EHADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000588689943 1035975009 /nfs/dbraw/zinc/97/50/09/1035975009.db2.gz UCCSSIRBSFMPRX-LEWJYISDSA-N 2 1 326.484 3.610 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000414201889 1036029159 /nfs/dbraw/zinc/02/91/59/1036029159.db2.gz YIIWYQSZVJXHBQ-HGJUEJDCSA-N 2 1 340.511 3.729 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)[C@@H](C)C1 ZINC000545310305 1036060406 /nfs/dbraw/zinc/06/04/06/1036060406.db2.gz DSPIGUFETZEQGV-IJXRJRJASA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644409 1036546025 /nfs/dbraw/zinc/54/60/25/1036546025.db2.gz GMRULINRNSXHRS-CNDZOEFASA-N 2 1 335.495 3.899 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644409 1036546035 /nfs/dbraw/zinc/54/60/35/1036546035.db2.gz GMRULINRNSXHRS-CNDZOEFASA-N 2 1 335.495 3.899 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)[C@@H](C)C1 ZINC000493082686 1036670116 /nfs/dbraw/zinc/67/01/16/1036670116.db2.gz VOELVZRJNDLOIR-BXWFABGCSA-N 2 1 325.500 3.654 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310282535 1036804356 /nfs/dbraw/zinc/80/43/56/1036804356.db2.gz WRNCXPCCQKSTDL-QAPCUYQASA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310282535 1036804392 /nfs/dbraw/zinc/80/43/92/1036804392.db2.gz WRNCXPCCQKSTDL-QAPCUYQASA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CCc3sc(Br)cc32)CC[N@H+]1C ZINC000310911020 1036924812 /nfs/dbraw/zinc/92/48/12/1036924812.db2.gz FAWOYCUXGJKUFS-SCVCMEIPSA-N 2 1 329.307 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)CCN1C ZINC000310911020 1036924829 /nfs/dbraw/zinc/92/48/29/1036924829.db2.gz FAWOYCUXGJKUFS-SCVCMEIPSA-N 2 1 329.307 3.570 20 0 EHADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311002928 1036939560 /nfs/dbraw/zinc/93/95/60/1036939560.db2.gz VOAMIEZCDLJICK-WIYYLYMNSA-N 2 1 338.495 3.738 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000590786678 1037053895 /nfs/dbraw/zinc/05/38/95/1037053895.db2.gz JSQSDPMFJJTIDT-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000590786678 1037053912 /nfs/dbraw/zinc/05/39/12/1037053912.db2.gz JSQSDPMFJJTIDT-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP CCOc1ccc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786812 1037057041 /nfs/dbraw/zinc/05/70/41/1037057041.db2.gz NSAVAKKACCDKAE-UHFFFAOYSA-N 2 1 334.504 3.516 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000508860712 1037156548 /nfs/dbraw/zinc/15/65/48/1037156548.db2.gz RQSWHHRUOVDVLL-JKALPCAWSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000508860712 1037156555 /nfs/dbraw/zinc/15/65/55/1037156555.db2.gz RQSWHHRUOVDVLL-JKALPCAWSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000508860712 1037156561 /nfs/dbraw/zinc/15/65/61/1037156561.db2.gz RQSWHHRUOVDVLL-JKALPCAWSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000508860712 1037156574 /nfs/dbraw/zinc/15/65/74/1037156574.db2.gz RQSWHHRUOVDVLL-JKALPCAWSA-N 2 1 342.527 3.900 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000591151480 1037249430 /nfs/dbraw/zinc/24/94/30/1037249430.db2.gz JLLISOMZDAKZIM-HXUWFJFHSA-N 2 1 343.515 3.528 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](CNCc2cc(Br)ccc2Cl)C1 ZINC000225267148 1037318459 /nfs/dbraw/zinc/31/84/59/1037318459.db2.gz FGRBOHSEOBMJIL-LBPRGKRZSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225267148 1037318473 /nfs/dbraw/zinc/31/84/73/1037318473.db2.gz FGRBOHSEOBMJIL-LBPRGKRZSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225267148 1037318490 /nfs/dbraw/zinc/31/84/90/1037318490.db2.gz FGRBOHSEOBMJIL-LBPRGKRZSA-N 2 1 345.712 3.922 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539898884 1037339659 /nfs/dbraw/zinc/33/96/59/1037339659.db2.gz JHGYVOCHGPJPSU-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539898884 1037339670 /nfs/dbraw/zinc/33/96/70/1037339670.db2.gz JHGYVOCHGPJPSU-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539898884 1037339686 /nfs/dbraw/zinc/33/96/86/1037339686.db2.gz JHGYVOCHGPJPSU-GHTZIAJQSA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789268 1037400831 /nfs/dbraw/zinc/40/08/31/1037400831.db2.gz FJBAUOHEWMNVQP-ZWKOTPCHSA-N 2 1 332.488 3.604 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)s2)cs1 ZINC000164470510 1037508375 /nfs/dbraw/zinc/50/83/75/1037508375.db2.gz VSCGQSBHUPNVPS-SWLSCSKDSA-N 2 1 335.542 3.652 20 0 EHADMP FC1(F)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000628422252 1037548617 /nfs/dbraw/zinc/54/86/17/1037548617.db2.gz UMKNNNKZDJNSLU-UHFFFAOYSA-N 2 1 338.442 3.782 20 0 EHADMP CC1CCC(Oc2cc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)ccn2)CC1 ZINC000532511302 1037555233 /nfs/dbraw/zinc/55/52/33/1037555233.db2.gz ROUVWLYGQMLKKX-IFGVMOBSSA-N 2 1 345.531 3.857 20 0 EHADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)ccn2)CC1 ZINC000532511302 1037555246 /nfs/dbraw/zinc/55/52/46/1037555246.db2.gz ROUVWLYGQMLKKX-IFGVMOBSSA-N 2 1 345.531 3.857 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000532538230 1037565710 /nfs/dbraw/zinc/56/57/10/1037565710.db2.gz FDNWPBFRGYTOTM-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000532538230 1037565725 /nfs/dbraw/zinc/56/57/25/1037565725.db2.gz FDNWPBFRGYTOTM-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000532538230 1037565743 /nfs/dbraw/zinc/56/57/43/1037565743.db2.gz FDNWPBFRGYTOTM-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP CC(C)(C)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532538689 1037568753 /nfs/dbraw/zinc/56/87/53/1037568753.db2.gz VMGOLUHDJXVZTK-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532538689 1037568760 /nfs/dbraw/zinc/56/87/60/1037568760.db2.gz VMGOLUHDJXVZTK-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532538689 1037568770 /nfs/dbraw/zinc/56/87/70/1037568770.db2.gz VMGOLUHDJXVZTK-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643265 1037629441 /nfs/dbraw/zinc/62/94/41/1037629441.db2.gz SHTGESNNHAEADY-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643265 1037629447 /nfs/dbraw/zinc/62/94/47/1037629447.db2.gz SHTGESNNHAEADY-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000303643265 1037629455 /nfs/dbraw/zinc/62/94/55/1037629455.db2.gz SHTGESNNHAEADY-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000303643265 1037629461 /nfs/dbraw/zinc/62/94/61/1037629461.db2.gz SHTGESNNHAEADY-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463113389 1037768133 /nfs/dbraw/zinc/76/81/33/1037768133.db2.gz CEDSUXXZDWOKIX-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463113389 1037768147 /nfs/dbraw/zinc/76/81/47/1037768147.db2.gz CEDSUXXZDWOKIX-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116836 1037785239 /nfs/dbraw/zinc/78/52/39/1037785239.db2.gz SFZZKTZMOWYWRX-RXVVDRJESA-N 2 1 337.511 3.895 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116836 1037785255 /nfs/dbraw/zinc/78/52/55/1037785255.db2.gz SFZZKTZMOWYWRX-RXVVDRJESA-N 2 1 337.511 3.895 20 0 EHADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC1 ZINC000463131603 1037795230 /nfs/dbraw/zinc/79/52/30/1037795230.db2.gz KTMGIZDSKRZSPY-HJNYFJLDSA-N 2 1 343.559 3.750 20 0 EHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000123576476 1038041262 /nfs/dbraw/zinc/04/12/62/1038041262.db2.gz LHGWDGBOCWWGER-INIZCTEOSA-N 2 1 336.439 3.530 20 0 EHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000123576476 1038041281 /nfs/dbraw/zinc/04/12/81/1038041281.db2.gz LHGWDGBOCWWGER-INIZCTEOSA-N 2 1 336.439 3.530 20 0 EHADMP c1ccc2c(c1)snc2CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659944010 1038456899 /nfs/dbraw/zinc/45/68/99/1038456899.db2.gz HIHWQCAHQPIEPD-INIZCTEOSA-N 2 1 329.513 3.789 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659944010 1038456903 /nfs/dbraw/zinc/45/69/03/1038456903.db2.gz HIHWQCAHQPIEPD-INIZCTEOSA-N 2 1 329.513 3.789 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538717361 1038488281 /nfs/dbraw/zinc/48/82/81/1038488281.db2.gz WDIHRSLGOUCBAP-OAQYLSRUSA-N 2 1 343.559 3.562 20 0 EHADMP CC(C)CCn1cccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000538797997 1038536943 /nfs/dbraw/zinc/53/69/43/1038536943.db2.gz IHHWBZHRQHQHSR-RXVVDRJESA-N 2 1 329.532 3.983 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2nccn2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000893224312 1038575022 /nfs/dbraw/zinc/57/50/22/1038575022.db2.gz CJISGVGUFVKQHS-IEBWSBKVSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000539045486 1038663293 /nfs/dbraw/zinc/66/32/93/1038663293.db2.gz AJSLJLSXJWWVTB-XZAAFUHCSA-N 3 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045486 1038663297 /nfs/dbraw/zinc/66/32/97/1038663297.db2.gz AJSLJLSXJWWVTB-XZAAFUHCSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045486 1038663303 /nfs/dbraw/zinc/66/33/03/1038663303.db2.gz AJSLJLSXJWWVTB-XZAAFUHCSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045486 1038663306 /nfs/dbraw/zinc/66/33/06/1038663306.db2.gz AJSLJLSXJWWVTB-XZAAFUHCSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045486 1038663310 /nfs/dbraw/zinc/66/33/10/1038663310.db2.gz AJSLJLSXJWWVTB-XZAAFUHCSA-N 2 1 343.559 3.605 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3ccccn23)CC1)CC(C)C ZINC000539096344 1038682790 /nfs/dbraw/zinc/68/27/90/1038682790.db2.gz FCNZOVXGOOJJTL-UHFFFAOYSA-N 2 1 342.531 3.914 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCc2ccccc2)CC1 ZINC000500469004 1038778539 /nfs/dbraw/zinc/77/85/39/1038778539.db2.gz DARMKUMZZURDDQ-UHFFFAOYSA-N 2 1 335.426 3.739 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000569971510 1038847366 /nfs/dbraw/zinc/84/73/66/1038847366.db2.gz DPDYJFUKFSJSCV-GOSISDBHSA-N 2 1 340.515 3.721 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000552047278 1038913717 /nfs/dbraw/zinc/91/37/17/1038913717.db2.gz GLAOCFQGUOJDMG-AABGKKOBSA-N 2 1 343.515 3.756 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363919827 1038940457 /nfs/dbraw/zinc/94/04/57/1038940457.db2.gz HKJJJIOWMWCQGH-KZNAEPCWSA-N 2 1 343.515 3.744 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000552253705 1039133881 /nfs/dbraw/zinc/13/38/81/1039133881.db2.gz QMEDCSLBTQELQQ-GUDVDZBRSA-N 2 1 346.515 3.837 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1Br ZINC000552283364 1039135806 /nfs/dbraw/zinc/13/58/06/1039135806.db2.gz AZBQJVBQUDLVHV-ARFHVFGLSA-N 2 1 337.305 3.720 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1Br ZINC000552283364 1039135813 /nfs/dbraw/zinc/13/58/13/1039135813.db2.gz AZBQJVBQUDLVHV-ARFHVFGLSA-N 2 1 337.305 3.720 20 0 EHADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000480093325 1039144329 /nfs/dbraw/zinc/14/43/29/1039144329.db2.gz NRBUYUDZCAOQLS-KBXCAEBGSA-N 2 1 333.838 3.709 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000488417319 1039156046 /nfs/dbraw/zinc/15/60/46/1039156046.db2.gz DUYFLAGDHGJRER-UHFFFAOYSA-N 2 1 348.922 3.781 20 0 EHADMP FCC1(CF)CC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898517686 1039186194 /nfs/dbraw/zinc/18/61/94/1039186194.db2.gz BPTCKWLDPSSVBQ-QYZOEREBSA-N 2 1 348.481 3.965 20 0 EHADMP CC(C)OC[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519289 1039190466 /nfs/dbraw/zinc/19/04/66/1039190466.db2.gz OLAZBLMSSKNHBV-NRDMVMEKSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CS1 ZINC000898520391 1039192369 /nfs/dbraw/zinc/19/23/69/1039192369.db2.gz XNOWNWQUXDNOOK-LFZDHENXSA-N 2 1 330.541 3.771 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512450025 1039196315 /nfs/dbraw/zinc/19/63/15/1039196315.db2.gz NUFBHZKXQYPKSC-OFNKIYASSA-N 2 1 349.522 3.640 20 0 EHADMP Cc1ncccc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522023 1039198324 /nfs/dbraw/zinc/19/83/24/1039198324.db2.gz IQVZFZKUBODWJD-FSSWDIPSSA-N 2 1 335.495 3.780 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000552336378 1039209622 /nfs/dbraw/zinc/20/96/22/1039209622.db2.gz BDIHIQJXKCETPB-JBACZVJFSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552336378 1039209636 /nfs/dbraw/zinc/20/96/36/1039209636.db2.gz BDIHIQJXKCETPB-JBACZVJFSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552336378 1039209652 /nfs/dbraw/zinc/20/96/52/1039209652.db2.gz BDIHIQJXKCETPB-JBACZVJFSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478230212 1039304577 /nfs/dbraw/zinc/30/45/77/1039304577.db2.gz NGJZHZMJFCFOLY-QZTJIDSGSA-N 2 1 332.488 3.604 20 0 EHADMP Cc1nsc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567286720 1039320106 /nfs/dbraw/zinc/32/01/06/1039320106.db2.gz TWGYUKJTMQFNST-RTBURBONSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567286720 1039320121 /nfs/dbraw/zinc/32/01/21/1039320121.db2.gz TWGYUKJTMQFNST-RTBURBONSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567286720 1039320136 /nfs/dbraw/zinc/32/01/36/1039320136.db2.gz TWGYUKJTMQFNST-RTBURBONSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567286720 1039320146 /nfs/dbraw/zinc/32/01/46/1039320146.db2.gz TWGYUKJTMQFNST-RTBURBONSA-N 2 1 341.524 3.714 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906157161 1039326438 /nfs/dbraw/zinc/32/64/38/1039326438.db2.gz CJXJVHYUOXOGSU-VQIMIIECSA-N 2 1 336.483 3.595 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@@H]3CCCC[NH2+]3)nc2)c1 ZINC000906159068 1039329270 /nfs/dbraw/zinc/32/92/70/1039329270.db2.gz QKKHQASKQWWPOU-JXFKEZNVSA-N 2 1 336.483 3.943 20 0 EHADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000554559748 1039477079 /nfs/dbraw/zinc/47/70/79/1039477079.db2.gz BKJDSZYTQBPOKL-OAHLLOKOSA-N 2 1 342.512 3.933 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000552779010 1039522647 /nfs/dbraw/zinc/52/26/47/1039522647.db2.gz BXESHVHGLOVKHX-QAPCUYQASA-N 2 1 347.503 3.527 20 0 EHADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CCCO1 ZINC000432861625 1039573187 /nfs/dbraw/zinc/57/31/87/1039573187.db2.gz XEGXITBGJAWDDJ-CQSZACIVSA-N 2 1 333.863 3.801 20 0 EHADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CCCO1 ZINC000432861625 1039573205 /nfs/dbraw/zinc/57/32/05/1039573205.db2.gz XEGXITBGJAWDDJ-CQSZACIVSA-N 2 1 333.863 3.801 20 0 EHADMP Clc1cnccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310293586 1039638688 /nfs/dbraw/zinc/63/86/88/1039638688.db2.gz SBFGSODUGFNJGJ-IEBWSBKVSA-N 2 1 341.886 3.689 20 0 EHADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000480562047 1039700290 /nfs/dbraw/zinc/70/02/90/1039700290.db2.gz IMAOLGNPJGRKNO-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562047 1039700308 /nfs/dbraw/zinc/70/03/08/1039700308.db2.gz IMAOLGNPJGRKNO-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562047 1039700322 /nfs/dbraw/zinc/70/03/22/1039700322.db2.gz IMAOLGNPJGRKNO-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000417368549 1039739829 /nfs/dbraw/zinc/73/98/29/1039739829.db2.gz OSNYECJAVMNONM-OTYNDTSQSA-N 2 1 330.516 3.833 20 0 EHADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000480608281 1039749001 /nfs/dbraw/zinc/74/90/01/1039749001.db2.gz CMMKUPZDCLDHAO-SJORKVTESA-N 2 1 334.504 3.867 20 0 EHADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000480609862 1039750760 /nfs/dbraw/zinc/75/07/60/1039750760.db2.gz KPFPTPBKFUZMLG-FHWLQOOXSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000480609862 1039750774 /nfs/dbraw/zinc/75/07/74/1039750774.db2.gz KPFPTPBKFUZMLG-FHWLQOOXSA-N 2 1 347.547 3.541 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1O ZINC000668587018 1039888363 /nfs/dbraw/zinc/88/83/63/1039888363.db2.gz INUBTPUUINDZAL-FUHWJXTLSA-N 2 1 346.515 3.719 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1O ZINC000668587018 1039888390 /nfs/dbraw/zinc/88/83/90/1039888390.db2.gz INUBTPUUINDZAL-FUHWJXTLSA-N 2 1 346.515 3.719 20 0 EHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480746554 1039984560 /nfs/dbraw/zinc/98/45/60/1039984560.db2.gz ROQYZJJJJUJVGP-PGRDOPGGSA-N 2 1 338.495 3.738 20 0 EHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480746554 1039984579 /nfs/dbraw/zinc/98/45/79/1039984579.db2.gz ROQYZJJJJUJVGP-PGRDOPGGSA-N 2 1 338.495 3.738 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000489551312 1040067684 /nfs/dbraw/zinc/06/76/84/1040067684.db2.gz OHLUKPUQDORDTP-SBHAEUEKSA-N 2 1 340.511 3.996 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000481038421 1040304748 /nfs/dbraw/zinc/30/47/48/1040304748.db2.gz NNUNMTPMCWRFLH-DYVFJYSZSA-N 2 1 342.405 3.894 20 0 EHADMP CC(C)OCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512649931 1040395274 /nfs/dbraw/zinc/39/52/74/1040395274.db2.gz VPSYSIBHWDSMAQ-PCCBWWKXSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000668694000 1040489213 /nfs/dbraw/zinc/48/92/13/1040489213.db2.gz XSKQGVWPWNCTRI-FPOVZHCZSA-N 2 1 330.516 3.659 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000248217422 1040720322 /nfs/dbraw/zinc/72/03/22/1040720322.db2.gz ZWLFUUYQPZXCIJ-KHYOSLBOSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000248217422 1040720334 /nfs/dbraw/zinc/72/03/34/1040720334.db2.gz ZWLFUUYQPZXCIJ-KHYOSLBOSA-N 2 1 340.458 3.752 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cs1 ZINC000667869071 1040733361 /nfs/dbraw/zinc/73/33/61/1040733361.db2.gz NZYUETMZXOSGQM-NJAFHUGGSA-N 2 1 333.545 3.696 20 0 EHADMP CCC(CC)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612324 1040911883 /nfs/dbraw/zinc/91/18/83/1040911883.db2.gz LDNFQOHNDIKWRV-OAQYLSRUSA-N 2 1 344.543 3.941 20 0 EHADMP CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000311243375 1040967854 /nfs/dbraw/zinc/96/78/54/1040967854.db2.gz YMTWXAKJAPAMHS-FQEVSTJZSA-N 2 1 340.515 3.685 20 0 EHADMP CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000311243375 1040967876 /nfs/dbraw/zinc/96/78/76/1040967876.db2.gz YMTWXAKJAPAMHS-FQEVSTJZSA-N 2 1 340.515 3.685 20 0 EHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000481560502 1041076953 /nfs/dbraw/zinc/07/69/53/1041076953.db2.gz XBNNBRKGBMMDPY-OTWHNJEPSA-N 2 1 335.580 3.740 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149737 1041095583 /nfs/dbraw/zinc/09/55/83/1041095583.db2.gz YJJBIXQUHQJXSP-FXAWDEMLSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149737 1041095604 /nfs/dbraw/zinc/09/56/04/1041095604.db2.gz YJJBIXQUHQJXSP-FXAWDEMLSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149737 1041095620 /nfs/dbraw/zinc/09/56/20/1041095620.db2.gz YJJBIXQUHQJXSP-FXAWDEMLSA-N 2 1 340.515 3.638 20 0 EHADMP Cc1cc([C@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390625223 1041174007 /nfs/dbraw/zinc/17/40/07/1041174007.db2.gz CYPDZOORVXJIOS-PXNSSMCTSA-N 2 1 344.524 3.998 20 0 EHADMP Cc1noc(C)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571402872 1041286885 /nfs/dbraw/zinc/28/68/85/1041286885.db2.gz JFDGBUAOGKVHCJ-SFHVURJKSA-N 2 1 325.456 3.578 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000571402872 1041286898 /nfs/dbraw/zinc/28/68/98/1041286898.db2.gz JFDGBUAOGKVHCJ-SFHVURJKSA-N 2 1 325.456 3.578 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000364448457 1041318677 /nfs/dbraw/zinc/31/86/77/1041318677.db2.gz QKHXLUIPEGJLHG-URKNILKWSA-N 2 1 344.528 3.889 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000364448457 1041318686 /nfs/dbraw/zinc/31/86/86/1041318686.db2.gz QKHXLUIPEGJLHG-URKNILKWSA-N 2 1 344.528 3.889 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000390703983 1041333752 /nfs/dbraw/zinc/33/37/52/1041333752.db2.gz UOUCVMCKHBIDAY-YPAWHYETSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000390703983 1041333766 /nfs/dbraw/zinc/33/37/66/1041333766.db2.gz UOUCVMCKHBIDAY-YPAWHYETSA-N 2 1 342.527 3.836 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487879 1041567845 /nfs/dbraw/zinc/56/78/45/1041567845.db2.gz OTSINOBREOVWEH-UXHICEINSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487879 1041567856 /nfs/dbraw/zinc/56/78/56/1041567856.db2.gz OTSINOBREOVWEH-UXHICEINSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](NCc1cc2cnccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651756458 1041998842 /nfs/dbraw/zinc/99/88/42/1041998842.db2.gz YDMWGOJRUXRXML-WMZOPIPTSA-N 2 1 335.451 3.828 20 0 EHADMP C[C@H]([NH2+]Cc1cc2cnccc2o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651756458 1041998844 /nfs/dbraw/zinc/99/88/44/1041998844.db2.gz YDMWGOJRUXRXML-WMZOPIPTSA-N 2 1 335.451 3.828 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC12CCCC2)C1CC[NH+](C)CC1 ZINC000651873320 1042130451 /nfs/dbraw/zinc/13/04/51/1042130451.db2.gz AOOZWAWIGKXTPX-UHFFFAOYSA-N 2 1 327.516 3.736 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000652222856 1042279808 /nfs/dbraw/zinc/27/98/08/1042279808.db2.gz ZINPRWSNDOSMQK-HNNXBMFYSA-N 2 1 331.504 3.545 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000652222856 1042279810 /nfs/dbraw/zinc/27/98/10/1042279810.db2.gz ZINPRWSNDOSMQK-HNNXBMFYSA-N 2 1 331.504 3.545 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000164486388 1042284538 /nfs/dbraw/zinc/28/45/38/1042284538.db2.gz BJIMSAZJDWOQPV-OAHLLOKOSA-N 2 1 347.503 3.569 20 0 EHADMP Fc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452789 1042309688 /nfs/dbraw/zinc/30/96/88/1042309688.db2.gz NVYDRTIFEPSYQQ-VNQPRFMTSA-N 2 1 341.268 3.599 20 0 EHADMP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355272 1042415990 /nfs/dbraw/zinc/41/59/90/1042415990.db2.gz SSRDZSHWRMDEGD-RHSMWYFYSA-N 2 1 345.512 3.768 20 0 EHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355272 1042415992 /nfs/dbraw/zinc/41/59/92/1042415992.db2.gz SSRDZSHWRMDEGD-RHSMWYFYSA-N 2 1 345.512 3.768 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000245805988 1042503651 /nfs/dbraw/zinc/50/36/51/1042503651.db2.gz YPQIQZIBQZOEMK-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000245805988 1042503658 /nfs/dbraw/zinc/50/36/58/1042503658.db2.gz YPQIQZIBQZOEMK-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000245805988 1042503662 /nfs/dbraw/zinc/50/36/62/1042503662.db2.gz YPQIQZIBQZOEMK-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000796702911 1042561517 /nfs/dbraw/zinc/56/15/17/1042561517.db2.gz QLBWKFJNCDSUSO-FSSWDIPSSA-N 2 1 341.543 3.682 20 0 EHADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nsc2c1 ZINC000662273811 1042650444 /nfs/dbraw/zinc/65/04/44/1042650444.db2.gz PRBKDPLMLDOLQV-CVEARBPZSA-N 2 1 329.513 3.550 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccnc1Cl ZINC000165172109 1042653151 /nfs/dbraw/zinc/65/31/51/1042653151.db2.gz IRSIQNQDUFOKEB-OAHLLOKOSA-N 2 1 347.890 3.916 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662285731 1042659087 /nfs/dbraw/zinc/65/90/87/1042659087.db2.gz MPISKTIACHDFEF-YSIASYRMSA-N 2 1 330.516 3.702 20 0 EHADMP CCC(C)(C)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327352 1042690646 /nfs/dbraw/zinc/69/06/46/1042690646.db2.gz OGCWOHBBNUIZBZ-UHFFFAOYSA-N 2 1 332.536 3.882 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344229 1042726853 /nfs/dbraw/zinc/72/68/53/1042726853.db2.gz PQRCANXUSRPCNV-JKALPCAWSA-N 2 1 342.527 3.948 20 0 EHADMP c1ccc(C[N@@H+]2CCO[C@@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000311671159 1042803539 /nfs/dbraw/zinc/80/35/39/1042803539.db2.gz AABJEGPAKTUEPF-SFHVURJKSA-N 2 1 333.435 3.548 20 0 EHADMP c1ccc(C[N@H+]2CCO[C@@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000311671159 1042803542 /nfs/dbraw/zinc/80/35/42/1042803542.db2.gz AABJEGPAKTUEPF-SFHVURJKSA-N 2 1 333.435 3.548 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001167824341 1042944756 /nfs/dbraw/zinc/94/47/56/1042944756.db2.gz DMUJNLNQTSOYKS-CQSZACIVSA-N 2 1 343.437 3.969 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000152008196 1042954446 /nfs/dbraw/zinc/95/44/46/1042954446.db2.gz SAGRZWQMBMGEIS-SBHAEUEKSA-N 2 1 332.532 3.825 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001167826594 1042960870 /nfs/dbraw/zinc/96/08/70/1042960870.db2.gz RAXQRPIYICKWPW-NNWRFLSQSA-N 2 1 343.559 3.703 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC001167827293 1042968488 /nfs/dbraw/zinc/96/84/88/1042968488.db2.gz VRLXMHIWMREBFL-SFHVURJKSA-N 2 1 334.504 3.562 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccccc2OC)C1 ZINC001167827523 1042970390 /nfs/dbraw/zinc/97/03/90/1042970390.db2.gz XGHGHRJSQCPZDX-MSOLQXFVSA-N 2 1 334.504 3.659 20 0 EHADMP C[C@@H]1C[N@@H+](CCCNCc2ccc(Oc3ccccc3)o2)CCCO1 ZINC000432363272 1043001855 /nfs/dbraw/zinc/00/18/55/1043001855.db2.gz UNVAZCGFAYABNM-QGZVFWFLSA-N 2 1 344.455 3.662 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001167834940 1043030342 /nfs/dbraw/zinc/03/03/42/1043030342.db2.gz NXEUVDGPKSGBDV-RTBURBONSA-N 2 1 333.520 3.744 20 0 EHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc2ccccc2o1 ZINC000344001101 1043078624 /nfs/dbraw/zinc/07/86/24/1043078624.db2.gz WLNMPIUVTUXBLF-OAHLLOKOSA-N 2 1 339.439 3.619 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278977346 1043116824 /nfs/dbraw/zinc/11/68/24/1043116824.db2.gz OHMVVMULUHATPI-TZMCWYRMSA-N 2 1 332.517 3.859 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccccc1)[C@H](C)CC(=O)OC ZINC001167841991 1043141371 /nfs/dbraw/zinc/14/13/71/1043141371.db2.gz VLFQYHASTPFIPI-RBUKOAKNSA-N 2 1 348.531 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001167842061 1043144089 /nfs/dbraw/zinc/14/40/89/1043144089.db2.gz WNKQFUVLPFUZRD-BEFAXECRSA-N 2 1 340.458 3.849 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001167842061 1043144095 /nfs/dbraw/zinc/14/40/95/1043144095.db2.gz WNKQFUVLPFUZRD-BEFAXECRSA-N 2 1 340.458 3.849 20 0 EHADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420560 1043147726 /nfs/dbraw/zinc/14/77/26/1043147726.db2.gz KZVYEWMVJKECOI-KXBFYZLASA-N 2 1 340.458 3.752 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001167842503 1043165897 /nfs/dbraw/zinc/16/58/97/1043165897.db2.gz YELXNVMMORXDHP-SJORKVTESA-N 2 1 326.525 3.693 20 0 EHADMP CC(C)(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000344080318 1043218999 /nfs/dbraw/zinc/21/89/99/1043218999.db2.gz UWNHOHBOIAZFRR-VQTJNVASSA-N 2 1 332.532 3.990 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450493 1043291743 /nfs/dbraw/zinc/29/17/43/1043291743.db2.gz XGGBZOOIJHQAMJ-SJORKVTESA-N 2 1 336.545 3.950 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450493 1043291746 /nfs/dbraw/zinc/29/17/46/1043291746.db2.gz XGGBZOOIJHQAMJ-SJORKVTESA-N 2 1 336.545 3.950 20 0 EHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000344169638 1043368654 /nfs/dbraw/zinc/36/86/54/1043368654.db2.gz LYCQHCGWZMQGBH-OAHLLOKOSA-N 2 1 340.240 3.834 20 0 EHADMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000279172260 1043499422 /nfs/dbraw/zinc/49/94/22/1043499422.db2.gz BYAFKRCLOMVMGS-UHFFFAOYSA-N 2 1 339.483 3.916 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000344777194 1044409765 /nfs/dbraw/zinc/40/97/65/1044409765.db2.gz PTLPKXBRBXJITF-PMACEKPBSA-N 2 1 339.483 3.623 20 0 EHADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000279851914 1044747074 /nfs/dbraw/zinc/74/70/74/1044747074.db2.gz IKGYMLDFVOBZDI-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000279851914 1044747082 /nfs/dbraw/zinc/74/70/82/1044747082.db2.gz IKGYMLDFVOBZDI-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP Cc1ncsc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000153579767 1125634515 /nfs/dbraw/zinc/63/45/15/1125634515.db2.gz WURGVPFDXVGUDV-HUUCEWRRSA-N 2 1 329.513 3.698 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](CC(C)C)c2cccs2)CC1 ZINC000154512019 1125725215 /nfs/dbraw/zinc/72/52/15/1125725215.db2.gz YAAHQOGQWQKCTH-GOSISDBHSA-N 2 1 337.577 3.843 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000154538826 1125727949 /nfs/dbraw/zinc/72/79/49/1125727949.db2.gz MJBWVGWHRGCYNK-QFIPXVFZSA-N 2 1 345.575 3.569 20 0 EHADMP COc1cccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000172575030 1126799633 /nfs/dbraw/zinc/79/96/33/1126799633.db2.gz XJSUUIOGUIPUFY-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344492 1126923644 /nfs/dbraw/zinc/92/36/44/1126923644.db2.gz OXDDXWIKXRDAOO-ICSRJNTNSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000623346869 1126924231 /nfs/dbraw/zinc/92/42/31/1126924231.db2.gz GAWJDMVGEVAZGS-KSSFIOAISA-N 2 1 329.488 3.559 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374976 1126938248 /nfs/dbraw/zinc/93/82/48/1126938248.db2.gz XQIHKVPDSXQYPB-ZIAGYGMSSA-N 2 1 344.421 3.935 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623384274 1126939135 /nfs/dbraw/zinc/93/91/35/1126939135.db2.gz VHXLMMZTPDRVKN-CYBMUJFWSA-N 2 1 348.384 3.587 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623384274 1126939139 /nfs/dbraw/zinc/93/91/39/1126939139.db2.gz VHXLMMZTPDRVKN-CYBMUJFWSA-N 2 1 348.384 3.587 20 0 EHADMP Cc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000623385482 1126939580 /nfs/dbraw/zinc/93/95/80/1126939580.db2.gz NBGOWKPKDVUQQH-WOJBJXKFSA-N 2 1 329.532 3.594 20 0 EHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623423967 1126951507 /nfs/dbraw/zinc/95/15/07/1126951507.db2.gz YUKRTAFONIGUQF-MSOLQXFVSA-N 2 1 333.495 3.565 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623436188 1126955680 /nfs/dbraw/zinc/95/56/80/1126955680.db2.gz IFSGNCIBVFVCDS-ZCNNSNEGSA-N 2 1 330.516 3.925 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623441151 1126956260 /nfs/dbraw/zinc/95/62/60/1126956260.db2.gz FRMFHIKVUBFFHT-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441151 1126956263 /nfs/dbraw/zinc/95/62/63/1126956263.db2.gz FRMFHIKVUBFFHT-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441151 1126956264 /nfs/dbraw/zinc/95/62/64/1126956264.db2.gz FRMFHIKVUBFFHT-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656753 1127006567 /nfs/dbraw/zinc/00/65/67/1127006567.db2.gz AXKGOZHXCAQCMM-LJQANCHMSA-N 2 1 338.499 3.671 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656753 1127006569 /nfs/dbraw/zinc/00/65/69/1127006569.db2.gz AXKGOZHXCAQCMM-LJQANCHMSA-N 2 1 338.499 3.671 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000179884957 1127098165 /nfs/dbraw/zinc/09/81/65/1127098165.db2.gz NXXHEVQSXNQQLC-QZTJIDSGSA-N 2 1 346.563 3.804 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000624095822 1127249579 /nfs/dbraw/zinc/24/95/79/1127249579.db2.gz NEAPDKRCHWUFCM-RDTXWAMCSA-N 2 1 348.441 3.561 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)ccc2Br)CC[N@H+]1C ZINC000181498947 1127279867 /nfs/dbraw/zinc/27/98/67/1127279867.db2.gz FGOZAPJQTZGQHC-RISCZKNCSA-N 2 1 345.712 3.717 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(F)cc(Br)c1 ZINC000181527317 1127281657 /nfs/dbraw/zinc/28/16/57/1127281657.db2.gz UMKUAVWISSOJSQ-MLGOLLRUSA-N 2 1 343.284 3.971 20 0 EHADMP C[NH+]1CCC([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000181798639 1127297310 /nfs/dbraw/zinc/29/73/10/1127297310.db2.gz QSWAPHGXNSRVSP-UHFFFAOYSA-N 2 1 335.904 3.690 20 0 EHADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000183238126 1127368821 /nfs/dbraw/zinc/36/88/21/1127368821.db2.gz QPNYQRJPOVDULM-FQEVSTJZSA-N 2 1 338.499 3.647 20 0 EHADMP C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000184504153 1127407007 /nfs/dbraw/zinc/40/70/07/1127407007.db2.gz MXTDPBHAGWCFAG-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566025 1127416652 /nfs/dbraw/zinc/41/66/52/1127416652.db2.gz GPQNYCMGGOVJAU-IHPCNDPISA-N 2 1 336.479 3.663 20 0 EHADMP COc1ccc(OCCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758849 1127431364 /nfs/dbraw/zinc/43/13/64/1127431364.db2.gz FUVOFRWECQSSPN-ROUUACIJSA-N 2 1 346.515 3.707 20 0 EHADMP c1ccc(Oc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2)nc1 ZINC000921556521 1127729399 /nfs/dbraw/zinc/72/93/99/1127729399.db2.gz ISFMOKVQHUFTHC-UHFFFAOYSA-N 2 1 337.467 3.838 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000062427133 1128134605 /nfs/dbraw/zinc/13/46/05/1128134605.db2.gz HMJQWSSUNQYOBC-CQSZACIVSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000062427133 1128134608 /nfs/dbraw/zinc/13/46/08/1128134608.db2.gz HMJQWSSUNQYOBC-CQSZACIVSA-N 2 1 340.895 3.567 20 0 EHADMP CCc1nc(C)c(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)o1 ZINC000902386063 1128174730 /nfs/dbraw/zinc/17/47/30/1128174730.db2.gz BDIYAOWPIRPNJA-MRXNPFEDSA-N 2 1 337.414 3.784 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000671743318 1128183776 /nfs/dbraw/zinc/18/37/76/1128183776.db2.gz METCMOBLFQGVKH-LDTOTXGLSA-N 2 1 347.934 3.629 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655907 1128449443 /nfs/dbraw/zinc/44/94/43/1128449443.db2.gz ILADLXZCULGRSZ-GFCCVEGCSA-N 2 1 331.287 3.824 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655907 1128449445 /nfs/dbraw/zinc/44/94/45/1128449445.db2.gz ILADLXZCULGRSZ-GFCCVEGCSA-N 2 1 331.287 3.824 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000623656879 1128451981 /nfs/dbraw/zinc/45/19/81/1128451981.db2.gz DOEXVYZRMLGNRT-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029101 1128465329 /nfs/dbraw/zinc/46/53/29/1128465329.db2.gz VYSYOWFNOSCBMF-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP CCCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029101 1128465331 /nfs/dbraw/zinc/46/53/31/1128465331.db2.gz VYSYOWFNOSCBMF-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815811 1128785076 /nfs/dbraw/zinc/78/50/76/1128785076.db2.gz JSVROZZROPRQOC-DYESRHJHSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815811 1128785081 /nfs/dbraw/zinc/78/50/81/1128785081.db2.gz JSVROZZROPRQOC-DYESRHJHSA-N 2 1 338.499 3.608 20 0 EHADMP CC(C)[C@@H](CNC1CC[NH+](C(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542909018 1128830913 /nfs/dbraw/zinc/83/09/13/1128830913.db2.gz WTANHPCACSINBG-JOCHJYFZSA-N 2 1 343.559 3.532 20 0 EHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000542909018 1128830917 /nfs/dbraw/zinc/83/09/17/1128830917.db2.gz WTANHPCACSINBG-JOCHJYFZSA-N 2 1 343.559 3.532 20 0 EHADMP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001648826517 1120050088 /nfs/dbraw/zinc/05/00/88/1120050088.db2.gz JAUJQGYMCAEDGJ-RTWAWAEBSA-N 2 1 330.516 3.897 20 0 EHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000083453917 1120134638 /nfs/dbraw/zinc/13/46/38/1120134638.db2.gz BVMZPFHKEZZHFK-GOSISDBHSA-N 2 1 329.875 3.737 20 0 EHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000083453917 1120134643 /nfs/dbraw/zinc/13/46/43/1120134643.db2.gz BVMZPFHKEZZHFK-GOSISDBHSA-N 2 1 329.875 3.737 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000083472140 1120135441 /nfs/dbraw/zinc/13/54/41/1120135441.db2.gz HVJWFPKJBMHBIP-RHSMWYFYSA-N 2 1 335.904 3.969 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000083472140 1120135443 /nfs/dbraw/zinc/13/54/43/1120135443.db2.gz HVJWFPKJBMHBIP-RHSMWYFYSA-N 2 1 335.904 3.969 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000226449292 1120158364 /nfs/dbraw/zinc/15/83/64/1120158364.db2.gz JXLSGSUQZCRFRG-LBPRGKRZSA-N 2 1 331.685 3.676 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC001648921075 1120200320 /nfs/dbraw/zinc/20/03/20/1120200320.db2.gz OSPDDIAQIDQKCR-CQSZACIVSA-N 2 1 348.384 3.588 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC001648921075 1120200325 /nfs/dbraw/zinc/20/03/25/1120200325.db2.gz OSPDDIAQIDQKCR-CQSZACIVSA-N 2 1 348.384 3.588 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001648964874 1120283721 /nfs/dbraw/zinc/28/37/21/1120283721.db2.gz FGTROLAUTMKQOI-QGZVFWFLSA-N 2 1 343.902 3.924 20 0 EHADMP CCC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC001648965606 1120283854 /nfs/dbraw/zinc/28/38/54/1120283854.db2.gz RARPNLPTTAXMSA-FQEVSTJZSA-N 2 1 330.516 3.695 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccccc3n2)c1 ZINC000589838404 1120360117 /nfs/dbraw/zinc/36/01/17/1120360117.db2.gz VCVZXICNHQNAAE-UHFFFAOYSA-N 2 1 334.467 3.760 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465179 1120532400 /nfs/dbraw/zinc/53/24/00/1120532400.db2.gz AOCTZTUQJGVYKJ-IAGOWNOFSA-N 2 1 346.437 3.693 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465179 1120532403 /nfs/dbraw/zinc/53/24/03/1120532403.db2.gz AOCTZTUQJGVYKJ-IAGOWNOFSA-N 2 1 346.437 3.693 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000191465600 1120674497 /nfs/dbraw/zinc/67/44/97/1120674497.db2.gz BCLYFJYWIUJJAS-OAQYLSRUSA-N 2 1 335.580 3.837 20 0 EHADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000193269914 1120768546 /nfs/dbraw/zinc/76/85/46/1120768546.db2.gz JDVVGFZNDKHYKQ-CYBMUJFWSA-N 2 1 327.299 4.000 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1)C(C)C ZINC000195458515 1120785639 /nfs/dbraw/zinc/78/56/39/1120785639.db2.gz RNSGFLKSEOOSJI-UHFFFAOYSA-N 2 1 345.531 3.520 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193981542 1120813396 /nfs/dbraw/zinc/81/33/96/1120813396.db2.gz PTNJEEYYMXCJDB-YVEFUNNKSA-N 2 1 348.288 3.867 20 0 EHADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)CC(C)C ZINC000494880543 1120891960 /nfs/dbraw/zinc/89/19/60/1120891960.db2.gz DLMXLBJKNOBHCU-DAWZGUTISA-N 2 1 336.524 3.750 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000495427881 1121192994 /nfs/dbraw/zinc/19/29/94/1121192994.db2.gz UHGNYVJMTNTRBV-UIFIKXQLSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)sc2nc(C)nc(C)c12 ZINC000915223720 1121260942 /nfs/dbraw/zinc/26/09/42/1121260942.db2.gz BRAIEXLPCNTPAE-CYBMUJFWSA-N 2 1 346.544 3.971 20 0 EHADMP Cc1ncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)n1-c1ccccc1 ZINC000237086715 1121472597 /nfs/dbraw/zinc/47/25/97/1121472597.db2.gz BZPXFCOKRAHVAA-UHFFFAOYSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)n1-c1ccccc1 ZINC000237086715 1121472600 /nfs/dbraw/zinc/47/26/00/1121472600.db2.gz BZPXFCOKRAHVAA-UHFFFAOYSA-N 2 1 340.515 3.925 20 0 EHADMP C[C@H]1c2cccn2CC[NH+]1CCCCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000077247521 1129002744 /nfs/dbraw/zinc/00/27/44/1129002744.db2.gz QQKPIRQIPZKBLM-OALUTQOASA-N 2 1 340.515 3.913 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000397344086 1121710900 /nfs/dbraw/zinc/71/09/00/1121710900.db2.gz XCITZSZAJPQDPE-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000397344086 1121710908 /nfs/dbraw/zinc/71/09/08/1121710908.db2.gz XCITZSZAJPQDPE-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000556054387 1122796159 /nfs/dbraw/zinc/79/61/59/1122796159.db2.gz HHQURYPXDZBPCF-DENIHFKCSA-N 2 1 348.494 3.852 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000556054387 1122796161 /nfs/dbraw/zinc/79/61/61/1122796161.db2.gz HHQURYPXDZBPCF-DENIHFKCSA-N 2 1 348.494 3.852 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061101 1122799183 /nfs/dbraw/zinc/79/91/83/1122799183.db2.gz SETXMGYDSSKPDE-UZKOGDIHSA-N 2 1 337.511 3.936 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061101 1122799188 /nfs/dbraw/zinc/79/91/88/1122799188.db2.gz SETXMGYDSSKPDE-UZKOGDIHSA-N 2 1 337.511 3.936 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000556093520 1122809848 /nfs/dbraw/zinc/80/98/48/1122809848.db2.gz KHLSHUDVVWSZFX-RTWAWAEBSA-N 2 1 336.479 3.589 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000556093520 1122809854 /nfs/dbraw/zinc/80/98/54/1122809854.db2.gz KHLSHUDVVWSZFX-RTWAWAEBSA-N 2 1 336.479 3.589 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3nccc4c3CCCC4)C2)cc1 ZINC000922077861 1129079780 /nfs/dbraw/zinc/07/97/80/1129079780.db2.gz VSRDDNCZHCPZMW-IBGZPJMESA-N 2 1 335.495 3.572 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3nccc4c3CCCC4)C2)cc1 ZINC000922077861 1129079785 /nfs/dbraw/zinc/07/97/85/1129079785.db2.gz VSRDDNCZHCPZMW-IBGZPJMESA-N 2 1 335.495 3.572 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556238604 1122891222 /nfs/dbraw/zinc/89/12/22/1122891222.db2.gz CEYFMDZTZQSUSO-FNAHDJPLSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498618644 1122994450 /nfs/dbraw/zinc/99/44/50/1122994450.db2.gz RWBRVYYTWSGUQA-LMMKCTJWSA-N 2 1 346.515 3.607 20 0 EHADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224213 1123137498 /nfs/dbraw/zinc/13/74/98/1123137498.db2.gz RZMKEWNGKYSIDZ-HAQNSBGRSA-N 2 1 331.685 3.804 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H]3C(C)C)CC2)cs1 ZINC000556872900 1123162783 /nfs/dbraw/zinc/16/27/83/1123162783.db2.gz SEKSORXAWYGORL-MSOLQXFVSA-N 2 1 335.561 3.942 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000556873106 1123163327 /nfs/dbraw/zinc/16/33/27/1123163327.db2.gz SZGHHFQLAVYQGP-QZNJRLLKSA-N 2 1 344.543 3.960 20 0 EHADMP Fc1ccc(CC[NH+]2CCC(Nc3cc4c(c[nH+]3)CCC4)CC2)cc1 ZINC000556958981 1123238912 /nfs/dbraw/zinc/23/89/12/1123238912.db2.gz LWZOTMPRZHQZSY-UHFFFAOYSA-N 2 1 339.458 3.828 20 0 EHADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499230258 1123284315 /nfs/dbraw/zinc/28/43/15/1123284315.db2.gz RQAOKQIJRFQJHN-JBINPLMMSA-N 2 1 330.516 3.569 20 0 EHADMP Fc1ccc(SCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134875727 1123560395 /nfs/dbraw/zinc/56/03/95/1123560395.db2.gz ZFUIDVWPFSLXEC-BEFAXECRSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134875727 1123560397 /nfs/dbraw/zinc/56/03/97/1123560397.db2.gz ZFUIDVWPFSLXEC-BEFAXECRSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134875727 1123560401 /nfs/dbraw/zinc/56/04/01/1123560401.db2.gz ZFUIDVWPFSLXEC-BEFAXECRSA-N 2 1 334.504 3.867 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000136239776 1123679626 /nfs/dbraw/zinc/67/96/26/1123679626.db2.gz RQXQZRSWDKYVPD-QGZVFWFLSA-N 2 1 342.458 3.551 20 0 EHADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000499642350 1129138577 /nfs/dbraw/zinc/13/85/77/1129138577.db2.gz RTUATGBUHOAUNY-UHFFFAOYSA-N 2 1 341.499 3.810 20 0 EHADMP CC(C)CCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245646675 1123908528 /nfs/dbraw/zinc/90/85/28/1123908528.db2.gz BSUGIVGNHRTIJD-WKCHPHFGSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[NH+](C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568222 /nfs/dbraw/zinc/56/82/22/1124568222.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568227 /nfs/dbraw/zinc/56/82/27/1124568227.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568234 /nfs/dbraw/zinc/56/82/34/1124568234.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3C[C@@H](C)[NH+](C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568243 /nfs/dbraw/zinc/56/82/43/1124568243.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3C[C@@H](C)[NH+](C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568254 /nfs/dbraw/zinc/56/82/54/1124568254.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568260 /nfs/dbraw/zinc/56/82/60/1124568260.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568267 /nfs/dbraw/zinc/56/82/67/1124568267.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568274 /nfs/dbraw/zinc/56/82/74/1124568274.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)cc2)C1 ZINC000246932216 1124568279 /nfs/dbraw/zinc/56/82/79/1124568279.db2.gz HEOXCPGHSLWDRC-JPAWQOSXSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2o1 ZINC000246963843 1124574057 /nfs/dbraw/zinc/57/40/57/1124574057.db2.gz IYJAZFGFMHPFON-IXDOHACOSA-N 2 1 330.472 3.973 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247110219 1124589131 /nfs/dbraw/zinc/58/91/31/1124589131.db2.gz ABMZFUBADZDTER-GOEBONIOSA-N 2 1 342.405 3.500 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1Cl ZINC000247989776 1124634333 /nfs/dbraw/zinc/63/43/33/1124634333.db2.gz JGVJMMKBIHGZHL-KGLIPLIRSA-N 2 1 345.314 3.881 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ncc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000248073956 1124637954 /nfs/dbraw/zinc/63/79/54/1124637954.db2.gz MTALRDHNOGNXTQ-NVXWUHKLSA-N 2 1 345.874 3.911 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)[C@@H](C)C1 ZINC000248185129 1124645286 /nfs/dbraw/zinc/64/52/86/1124645286.db2.gz XDSORJNOPUWRCV-YYWHXJBOSA-N 2 1 330.516 3.709 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2C2CCCCC2)[C@@H](C)C1 ZINC000248446513 1124664246 /nfs/dbraw/zinc/66/42/46/1124664246.db2.gz CPGQEICIWLTVTQ-LPHOPBHVSA-N 2 1 332.536 3.630 20 0 EHADMP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248881411 1124712221 /nfs/dbraw/zinc/71/22/21/1124712221.db2.gz OVXROCKBDLRLSX-NJDAHSKKSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249196220 1124745899 /nfs/dbraw/zinc/74/58/99/1124745899.db2.gz QSIOYXAJSOCCFG-QWFCFKBJSA-N 2 1 340.515 3.847 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)cc2)[C@@H](C)C1 ZINC000249501843 1124759789 /nfs/dbraw/zinc/75/97/89/1124759789.db2.gz XMODMEJAUDARKK-PZJWPPBQSA-N 2 1 332.532 3.654 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(CC)CC ZINC000181540461 1124920069 /nfs/dbraw/zinc/92/00/69/1124920069.db2.gz ZWXIYLHCKHSECB-ZWKOTPCHSA-N 2 1 342.487 3.649 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000152906258 1125394845 /nfs/dbraw/zinc/39/48/45/1125394845.db2.gz FLZQCWDERAIDON-SFHVURJKSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000152906258 1125394846 /nfs/dbraw/zinc/39/48/46/1125394846.db2.gz FLZQCWDERAIDON-SFHVURJKSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000152906258 1125394847 /nfs/dbraw/zinc/39/48/47/1125394847.db2.gz FLZQCWDERAIDON-SFHVURJKSA-N 2 1 333.863 3.778 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000067227108 1129257533 /nfs/dbraw/zinc/25/75/33/1129257533.db2.gz GTVXGEAJVGBMOZ-UHFFFAOYSA-N 2 1 333.520 3.651 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000922231956 1129383415 /nfs/dbraw/zinc/38/34/15/1129383415.db2.gz RBCLKWCGUFAJIO-NRSPTQNISA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000922231956 1129383417 /nfs/dbraw/zinc/38/34/17/1129383417.db2.gz RBCLKWCGUFAJIO-NRSPTQNISA-N 2 1 346.515 3.562 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cnc2ccsc2c1 ZINC000765978095 1129388117 /nfs/dbraw/zinc/38/81/17/1129388117.db2.gz SIQOKXOPMZECEF-WMLDXEAASA-N 2 1 345.512 3.590 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429001022 1129687468 /nfs/dbraw/zinc/68/74/68/1129687468.db2.gz WJSKRYUVNJNBRA-OAQYLSRUSA-N 2 1 330.516 3.781 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429001022 1129687472 /nfs/dbraw/zinc/68/74/72/1129687472.db2.gz WJSKRYUVNJNBRA-OAQYLSRUSA-N 2 1 330.516 3.781 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429001022 1129687474 /nfs/dbraw/zinc/68/74/74/1129687474.db2.gz WJSKRYUVNJNBRA-OAQYLSRUSA-N 2 1 330.516 3.781 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429017540 1129702766 /nfs/dbraw/zinc/70/27/66/1129702766.db2.gz FSTFKLURMVKVGL-CJNGLKHVSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429017540 1129702769 /nfs/dbraw/zinc/70/27/69/1129702769.db2.gz FSTFKLURMVKVGL-CJNGLKHVSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429017540 1129702773 /nfs/dbraw/zinc/70/27/73/1129702773.db2.gz FSTFKLURMVKVGL-CJNGLKHVSA-N 2 1 328.378 3.674 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429017540 1129702776 /nfs/dbraw/zinc/70/27/76/1129702776.db2.gz FSTFKLURMVKVGL-CJNGLKHVSA-N 2 1 328.378 3.674 20 0 EHADMP CCO[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000625274854 1129797182 /nfs/dbraw/zinc/79/71/82/1129797182.db2.gz HDLKYTUXZQRBLL-NRFANRHFSA-N 2 1 342.527 3.790 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625453658 1129883807 /nfs/dbraw/zinc/88/38/07/1129883807.db2.gz AOZKIZKXJGVQRX-UHFFFAOYSA-N 2 1 341.499 3.779 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625453658 1129883812 /nfs/dbraw/zinc/88/38/12/1129883812.db2.gz AOZKIZKXJGVQRX-UHFFFAOYSA-N 2 1 341.499 3.779 20 0 EHADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000310784260 1129935223 /nfs/dbraw/zinc/93/52/23/1129935223.db2.gz CEUDBNFXZMAMIZ-VQIMIIECSA-N 2 1 342.458 3.835 20 0 EHADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000310784260 1129935226 /nfs/dbraw/zinc/93/52/26/1129935226.db2.gz CEUDBNFXZMAMIZ-VQIMIIECSA-N 2 1 342.458 3.835 20 0 EHADMP CN(C)Cc1cnc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)s1 ZINC000347859153 1129939120 /nfs/dbraw/zinc/93/91/20/1129939120.db2.gz FTHNENGMRZUSEB-KRWDZBQOSA-N 2 1 329.513 3.802 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)cc1 ZINC000347881624 1129974037 /nfs/dbraw/zinc/97/40/37/1129974037.db2.gz SIAVGUPECLLIET-FXAWDEMLSA-N 2 1 349.478 3.683 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658141410 1130193865 /nfs/dbraw/zinc/19/38/65/1130193865.db2.gz XBXUJGSYCJZZRK-UXHICEINSA-N 2 1 344.524 3.946 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3c(C4CCC4)cnn3C)CC2)C1 ZINC000658269183 1130328984 /nfs/dbraw/zinc/32/89/84/1130328984.db2.gz TXACINLDPKYUMG-LPHOPBHVSA-N 2 1 344.547 3.820 20 0 EHADMP CCOc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000675641774 1130436898 /nfs/dbraw/zinc/43/68/98/1130436898.db2.gz VQIBIVPVKDIIGS-SFHVURJKSA-N 2 1 345.531 3.957 20 0 EHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675882613 1130500918 /nfs/dbraw/zinc/50/09/18/1130500918.db2.gz STNPCSZTUIDTTC-LAUBAEHRSA-N 2 1 346.515 3.768 20 0 EHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675882614 1130501472 /nfs/dbraw/zinc/50/14/72/1130501472.db2.gz STNPCSZTUIDTTC-UTKZUKDTSA-N 2 1 346.515 3.768 20 0 EHADMP CC1(C)CCc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2O1 ZINC000731676941 1130831246 /nfs/dbraw/zinc/83/12/46/1130831246.db2.gz FSQSKKQMFMWJIE-UHFFFAOYSA-N 2 1 328.500 3.754 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794422 1131082006 /nfs/dbraw/zinc/08/20/06/1131082006.db2.gz DDLMKCYHNDUPNB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794422 1131082012 /nfs/dbraw/zinc/08/20/12/1131082012.db2.gz DDLMKCYHNDUPNB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794422 1131082018 /nfs/dbraw/zinc/08/20/18/1131082018.db2.gz DDLMKCYHNDUPNB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000733794422 1131082024 /nfs/dbraw/zinc/08/20/24/1131082024.db2.gz DDLMKCYHNDUPNB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP CCc1nnc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000347990437 1131111746 /nfs/dbraw/zinc/11/17/46/1131111746.db2.gz FMJGMQJCVPJJCD-MRXNPFEDSA-N 2 1 342.487 3.537 20 0 EHADMP CCc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000347990437 1131111748 /nfs/dbraw/zinc/11/17/48/1131111748.db2.gz FMJGMQJCVPJJCD-MRXNPFEDSA-N 2 1 342.487 3.537 20 0 EHADMP CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000347991159 1131112101 /nfs/dbraw/zinc/11/21/01/1131112101.db2.gz BQKAYWSXZRSYFD-JXFKEZNVSA-N 2 1 326.488 3.706 20 0 EHADMP C[C@]12CCCC[C@H]1C[N@H+]2C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000626103751 1131155567 /nfs/dbraw/zinc/15/55/67/1131155567.db2.gz OEVPYKUPJGGFQW-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312104 1131467355 /nfs/dbraw/zinc/46/73/55/1131467355.db2.gz OTEQDFNFZJQAMQ-CYBMUJFWSA-N 2 1 325.294 3.784 20 0 EHADMP COc1ccccc1C[N@@H+]([C@H](C)CCOC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172437700 1131740658 /nfs/dbraw/zinc/74/06/58/1131740658.db2.gz UTSKXGVZELRWJD-MISYRCLQSA-N 2 1 348.531 3.971 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H](C)CCOC(C)C)C[C@@H]3C2)cc1 ZINC001172445865 1131744673 /nfs/dbraw/zinc/74/46/73/1131744673.db2.gz GOZLGMJWSZSZMD-NRSPTQNISA-N 2 1 330.516 3.562 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H](C)CCOC(C)C)C[C@@H]3C2)cc1 ZINC001172445865 1131744680 /nfs/dbraw/zinc/74/46/80/1131744680.db2.gz GOZLGMJWSZSZMD-NRSPTQNISA-N 2 1 330.516 3.562 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H](C)CCOC(C)C)C[C@@H]3C2)cc1 ZINC001172445865 1131744685 /nfs/dbraw/zinc/74/46/85/1131744685.db2.gz GOZLGMJWSZSZMD-NRSPTQNISA-N 2 1 330.516 3.562 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001172448790 1131745782 /nfs/dbraw/zinc/74/57/82/1131745782.db2.gz BYAUDLIRBSHXGG-LJQANCHMSA-N 2 1 345.531 3.573 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172571104 1131777044 /nfs/dbraw/zinc/77/70/44/1131777044.db2.gz LTHJGKJPJIUMKZ-QFSBIZTOSA-N 2 1 330.850 3.869 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172571104 1131777048 /nfs/dbraw/zinc/77/70/48/1131777048.db2.gz LTHJGKJPJIUMKZ-QFSBIZTOSA-N 2 1 330.850 3.869 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172747685 1131831647 /nfs/dbraw/zinc/83/16/47/1131831647.db2.gz AQZHZSYGCBJRRC-HBFSDRIKSA-N 2 1 346.515 3.749 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172747685 1131831651 /nfs/dbraw/zinc/83/16/51/1131831651.db2.gz AQZHZSYGCBJRRC-HBFSDRIKSA-N 2 1 346.515 3.749 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172752183 1131832352 /nfs/dbraw/zinc/83/23/52/1131832352.db2.gz KNOGXVHJBRDAPI-GOSISDBHSA-N 2 1 346.515 3.751 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172710650 1131833246 /nfs/dbraw/zinc/83/32/46/1131833246.db2.gz JUYNFGRPPAYLHO-LJQANCHMSA-N 2 1 341.886 3.769 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001173111066 1131970256 /nfs/dbraw/zinc/97/02/56/1131970256.db2.gz MLUVRAHERFXSCD-UHFFFAOYSA-N 3 1 344.547 3.582 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001173113630 1131972149 /nfs/dbraw/zinc/97/21/49/1131972149.db2.gz YGSIJQGXBRBARF-UHFFFAOYSA-N 2 1 340.515 3.957 20 0 EHADMP COc1cccc2c1C[C@@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173159485 1131989000 /nfs/dbraw/zinc/98/90/00/1131989000.db2.gz JJODNIUMYLTNHQ-BRWVUGGUSA-N 2 1 346.515 3.617 20 0 EHADMP CCCC[C@@H](CC(C)C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001173259233 1132021849 /nfs/dbraw/zinc/02/18/49/1132021849.db2.gz HQOXLUUUSOSQNT-IBGZPJMESA-N 2 1 346.563 3.942 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001173278742 1132039051 /nfs/dbraw/zinc/03/90/51/1132039051.db2.gz IMEMTNYJZAJRSL-PZJWPPBQSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000744404610 1132090298 /nfs/dbraw/zinc/09/02/98/1132090298.db2.gz ULUZWHWQMYULSE-FPOVZHCZSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000744404610 1132090306 /nfs/dbraw/zinc/09/03/06/1132090306.db2.gz ULUZWHWQMYULSE-FPOVZHCZSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404610 1132090315 /nfs/dbraw/zinc/09/03/15/1132090315.db2.gz ULUZWHWQMYULSE-FPOVZHCZSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404610 1132090320 /nfs/dbraw/zinc/09/03/20/1132090320.db2.gz ULUZWHWQMYULSE-FPOVZHCZSA-N 2 1 332.532 3.914 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632640 1132110187 /nfs/dbraw/zinc/11/01/87/1132110187.db2.gz IBAVTHVLHXJEJX-XSLAGTTESA-N 2 1 338.536 3.726 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3cccnc3)CCC(F)(F)CC1)C2 ZINC001169117156 1132662473 /nfs/dbraw/zinc/66/24/73/1132662473.db2.gz WWDPLUDVDLAZEJ-NNZMDNLPSA-N 2 1 349.469 3.787 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108579 1132669257 /nfs/dbraw/zinc/66/92/57/1132669257.db2.gz BVRVAPDNSZDNEH-HNKHHVNMSA-N 2 1 337.305 3.595 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169111152 1132671369 /nfs/dbraw/zinc/67/13/69/1132671369.db2.gz NUFXMVOKQCOLQM-OSMBCOQSSA-N 2 1 337.305 3.595 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccc(Br)cc3)C1)C2 ZINC001169147054 1132676540 /nfs/dbraw/zinc/67/65/40/1132676540.db2.gz RZRCLOZSQAUBAF-NRSFXHEJSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3ccc(Br)cc3)C1)C2 ZINC001169147054 1132676544 /nfs/dbraw/zinc/67/65/44/1132676544.db2.gz RZRCLOZSQAUBAF-NRSFXHEJSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3ccc(Br)cc3)C1)C2 ZINC001169147054 1132676549 /nfs/dbraw/zinc/67/65/49/1132676549.db2.gz RZRCLOZSQAUBAF-NRSFXHEJSA-N 2 1 349.316 3.864 20 0 EHADMP CC1(C)C[C@H](Nc2[nH+]cccc2C2CCOCC2)C[C@@](C)(C[NH3+])C1 ZINC001169149119 1132677503 /nfs/dbraw/zinc/67/75/03/1132677503.db2.gz YBVQXXBDWKAUES-OXJNMPFZSA-N 2 1 331.504 3.931 20 0 EHADMP Cc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206004496 1132691121 /nfs/dbraw/zinc/69/11/21/1132691121.db2.gz SQMGWJQVXJLYKH-RISCZKNCSA-N 2 1 343.284 3.703 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001169265237 1132706006 /nfs/dbraw/zinc/70/60/06/1132706006.db2.gz NPGFNLHKUAOQCN-HNNXBMFYSA-N 2 1 337.305 3.723 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001169265237 1132706009 /nfs/dbraw/zinc/70/60/09/1132706009.db2.gz NPGFNLHKUAOQCN-HNNXBMFYSA-N 2 1 337.305 3.723 20 0 EHADMP C[C@H]1C[N@H+](Cc2c(F)cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206005070 1132710610 /nfs/dbraw/zinc/71/06/10/1132710610.db2.gz WUWRWZJYDNFAAH-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1C[N@@H+](Cc2c(F)cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206005070 1132710612 /nfs/dbraw/zinc/71/06/12/1132710612.db2.gz WUWRWZJYDNFAAH-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CCC[C@@H]1C[NH3+] ZINC001206013111 1132789029 /nfs/dbraw/zinc/78/90/29/1132789029.db2.gz PMIKOFNAORZYJO-VXGBXAGGSA-N 2 1 334.357 3.531 20 0 EHADMP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC001176262996 1132898675 /nfs/dbraw/zinc/89/86/75/1132898675.db2.gz OODAABAWUMHYFA-YADHBBJMSA-N 2 1 349.522 3.961 20 0 EHADMP Cc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC001176262996 1132898683 /nfs/dbraw/zinc/89/86/83/1132898683.db2.gz OODAABAWUMHYFA-YADHBBJMSA-N 2 1 349.522 3.961 20 0 EHADMP Cc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC001176262996 1132898691 /nfs/dbraw/zinc/89/86/91/1132898691.db2.gz OODAABAWUMHYFA-YADHBBJMSA-N 2 1 349.522 3.961 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC001177541802 1133079514 /nfs/dbraw/zinc/07/95/14/1133079514.db2.gz DDZVITRWKKRZLX-ZDUSSCGKSA-N 2 1 345.712 3.924 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001177865569 1133105422 /nfs/dbraw/zinc/10/54/22/1133105422.db2.gz YLBAQVSIMFHUDY-VSKRKVRLSA-N 2 1 344.543 3.929 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001177865567 1133105529 /nfs/dbraw/zinc/10/55/29/1133105529.db2.gz YLBAQVSIMFHUDY-FKBYEOEOSA-N 2 1 344.543 3.929 20 0 EHADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC001178457861 1133169992 /nfs/dbraw/zinc/16/99/92/1133169992.db2.gz FJGHKLNUMHZNJO-WMZOPIPTSA-N 2 1 344.499 3.524 20 0 EHADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146591 1133230863 /nfs/dbraw/zinc/23/08/63/1133230863.db2.gz AIIHYLGHDYFQDF-TZIWHRDSSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146591 1133230870 /nfs/dbraw/zinc/23/08/70/1133230870.db2.gz AIIHYLGHDYFQDF-TZIWHRDSSA-N 2 1 343.559 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000769483177 1133287312 /nfs/dbraw/zinc/28/73/12/1133287312.db2.gz GUPUBRGFAZLLHD-WBMJQRKESA-N 2 1 346.544 3.779 20 0 EHADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000769927103 1133368012 /nfs/dbraw/zinc/36/80/12/1133368012.db2.gz SJOMXQDROAUUOZ-MRXNPFEDSA-N 2 1 336.545 3.779 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccccc2C)CC1)CC1CC1 ZINC000771476126 1133559798 /nfs/dbraw/zinc/55/97/98/1133559798.db2.gz RPLRVPGJHSGSKT-QFIPXVFZSA-N 2 1 344.543 3.862 20 0 EHADMP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001182195276 1133589942 /nfs/dbraw/zinc/58/99/42/1133589942.db2.gz CUFHGFIGECFLLF-QFIPXVFZSA-N 3 1 343.559 3.610 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC001183094874 1133768485 /nfs/dbraw/zinc/76/84/85/1133768485.db2.gz LYKQDAZYOAAYBQ-XUVXKRRUSA-N 2 1 334.548 3.826 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC001183428889 1133804917 /nfs/dbraw/zinc/80/49/17/1133804917.db2.gz MILVTNDEADCSCH-ILWGZMRPSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC001183428889 1133804922 /nfs/dbraw/zinc/80/49/22/1133804922.db2.gz MILVTNDEADCSCH-ILWGZMRPSA-N 2 1 342.527 3.885 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000746627875 1133940185 /nfs/dbraw/zinc/94/01/85/1133940185.db2.gz PZTPZIXVYNDWJY-UHFFFAOYSA-N 2 1 326.469 3.855 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000746627875 1133940191 /nfs/dbraw/zinc/94/01/91/1133940191.db2.gz PZTPZIXVYNDWJY-UHFFFAOYSA-N 2 1 326.469 3.855 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC000775366386 1134671237 /nfs/dbraw/zinc/67/12/37/1134671237.db2.gz RNCMOUQRDRYZGM-QGZVFWFLSA-N 3 1 347.547 3.672 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)CC1 ZINC001190650740 1134732997 /nfs/dbraw/zinc/73/29/97/1134732997.db2.gz FZYYJGJFEBWVKS-WOJBJXKFSA-N 2 1 334.548 3.922 20 0 EHADMP Cn1ccc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc21 ZINC001170330666 1134750667 /nfs/dbraw/zinc/75/06/67/1134750667.db2.gz PGBICXVMBGCJEL-LDLYASANSA-N 2 1 347.466 3.576 20 0 EHADMP Cn1ccc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc21 ZINC001170330666 1134750671 /nfs/dbraw/zinc/75/06/71/1134750671.db2.gz PGBICXVMBGCJEL-LDLYASANSA-N 2 1 347.466 3.576 20 0 EHADMP C[C@@H]1CSCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001191181065 1134820913 /nfs/dbraw/zinc/82/09/13/1134820913.db2.gz DHGPFIRQZFAFBW-GOSISDBHSA-N 2 1 332.557 3.769 20 0 EHADMP C[C@@H]1CSCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001191181065 1134820917 /nfs/dbraw/zinc/82/09/17/1134820917.db2.gz DHGPFIRQZFAFBW-GOSISDBHSA-N 2 1 332.557 3.769 20 0 EHADMP Cc1ncsc1CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191234187 1134832042 /nfs/dbraw/zinc/83/20/42/1134832042.db2.gz SHTSXWOQUMGYBF-LJQANCHMSA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ncsc1CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191234187 1134832050 /nfs/dbraw/zinc/83/20/50/1134832050.db2.gz SHTSXWOQUMGYBF-LJQANCHMSA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ncsc1CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191234187 1134832055 /nfs/dbraw/zinc/83/20/55/1134832055.db2.gz SHTSXWOQUMGYBF-LJQANCHMSA-N 2 1 343.540 3.838 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2CC(C)C)C1 ZINC001191452979 1134860649 /nfs/dbraw/zinc/86/06/49/1134860649.db2.gz AJXTXWKLEMAHEX-NRFANRHFSA-N 2 1 332.532 3.818 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001170428422 1134884146 /nfs/dbraw/zinc/88/41/46/1134884146.db2.gz INKYZPPPKOZCRQ-FUHWJXTLSA-N 2 1 332.488 3.577 20 0 EHADMP Cc1cc([C@@H](C)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793535950 1134950476 /nfs/dbraw/zinc/95/04/76/1134950476.db2.gz UKTDUNHFMFNPTN-AWQBJMPUSA-N 2 1 340.515 3.536 20 0 EHADMP Cc1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793535950 1134950488 /nfs/dbraw/zinc/95/04/88/1134950488.db2.gz UKTDUNHFMFNPTN-AWQBJMPUSA-N 2 1 340.515 3.536 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000775635153 1135365121 /nfs/dbraw/zinc/36/51/21/1135365121.db2.gz YLTJQXABLMVOKJ-IXDOHACOSA-N 2 1 329.488 3.708 20 0 EHADMP CCO[C@H](C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961419 1135634725 /nfs/dbraw/zinc/63/47/25/1135634725.db2.gz JDHZBMYBIUISCI-FSSWDIPSSA-N 2 1 342.527 3.646 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000808722889 1135722845 /nfs/dbraw/zinc/72/28/45/1135722845.db2.gz GXNKGOXPNVSTJZ-MYGLTJDJSA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000808722889 1135722847 /nfs/dbraw/zinc/72/28/47/1135722847.db2.gz GXNKGOXPNVSTJZ-MYGLTJDJSA-N 2 1 336.479 3.678 20 0 EHADMP C[NH+](C)[C@@H](CNc1cc(C[NH3+])ccn1)c1ccc(Cl)cc1Cl ZINC001170585841 1135874952 /nfs/dbraw/zinc/87/49/52/1135874952.db2.gz OPNGPOIXIRXMSV-HNNXBMFYSA-N 2 1 339.270 3.562 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259063 1135944229 /nfs/dbraw/zinc/94/42/29/1135944229.db2.gz AJNMRGNONKGNPT-AZUAARDMSA-N 2 1 340.515 3.681 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259063 1135944231 /nfs/dbraw/zinc/94/42/31/1135944231.db2.gz AJNMRGNONKGNPT-AZUAARDMSA-N 2 1 340.515 3.681 20 0 EHADMP CC(C)=CCC[C@H](C)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201486769 1136027758 /nfs/dbraw/zinc/02/77/58/1136027758.db2.gz MEHKYEHQOPZBPS-IBGZPJMESA-N 2 1 344.547 3.720 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2c(n1)CCCC2 ZINC001202227036 1136113484 /nfs/dbraw/zinc/11/34/84/1136113484.db2.gz JOTRSUZGXJGAHE-HXUWFJFHSA-N 2 1 349.522 3.881 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049010 1136164565 /nfs/dbraw/zinc/16/45/65/1136164565.db2.gz UYPWJXSTVGJARY-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049010 1136164568 /nfs/dbraw/zinc/16/45/68/1136164568.db2.gz UYPWJXSTVGJARY-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049010 1136164569 /nfs/dbraw/zinc/16/45/69/1136164569.db2.gz UYPWJXSTVGJARY-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137049010 1136164572 /nfs/dbraw/zinc/16/45/72/1136164572.db2.gz UYPWJXSTVGJARY-UXHICEINSA-N 2 1 346.478 3.517 20 0 EHADMP CC(C)c1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357451 1136240465 /nfs/dbraw/zinc/24/04/65/1136240465.db2.gz JXIKVPCCNJZGLS-OAQYLSRUSA-N 2 1 338.495 3.666 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC3SCCS3)CC23CC3)cc1 ZINC000850407615 1136251649 /nfs/dbraw/zinc/25/16/49/1136251649.db2.gz LHHBVTWIJVFUCZ-QGZVFWFLSA-N 2 1 348.581 3.969 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC3SCCS3)CC23CC3)cc1 ZINC000850407615 1136251653 /nfs/dbraw/zinc/25/16/53/1136251653.db2.gz LHHBVTWIJVFUCZ-QGZVFWFLSA-N 2 1 348.581 3.969 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850443087 1136259820 /nfs/dbraw/zinc/25/98/20/1136259820.db2.gz JVHPMBCKPFCDTK-FGTMMUONSA-N 2 1 346.515 3.552 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528879 1136279546 /nfs/dbraw/zinc/27/95/46/1136279546.db2.gz NUBIXVBHAVJOFU-KMMOIWBLSA-N 2 1 348.490 3.950 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528879 1136279548 /nfs/dbraw/zinc/27/95/48/1136279548.db2.gz NUBIXVBHAVJOFU-KMMOIWBLSA-N 2 1 348.490 3.950 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)CC1 ZINC000852006856 1136427217 /nfs/dbraw/zinc/42/72/17/1136427217.db2.gz GGDGPIQZEZLIQU-UHFFFAOYSA-N 2 1 342.405 3.735 20 0 EHADMP CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000852746933 1136482880 /nfs/dbraw/zinc/48/28/80/1136482880.db2.gz VCJDUTMWAXJHAL-JOCHJYFZSA-N 2 1 335.495 3.735 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815057126 1136541340 /nfs/dbraw/zinc/54/13/40/1136541340.db2.gz IWCXANFOKFZZCA-UWJYYQICSA-N 2 1 326.484 3.537 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815057126 1136541341 /nfs/dbraw/zinc/54/13/41/1136541341.db2.gz IWCXANFOKFZZCA-UWJYYQICSA-N 2 1 326.484 3.537 20 0 EHADMP Cn1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1Cl ZINC000815121417 1136552957 /nfs/dbraw/zinc/55/29/57/1136552957.db2.gz AQFFNCVRUYCXOA-UHFFFAOYSA-N 2 1 346.906 3.739 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1SC(C)(C)C ZINC000815563560 1136611720 /nfs/dbraw/zinc/61/17/20/1136611720.db2.gz GZIJYXMRELULGZ-JKSUJKDBSA-N 2 1 336.545 3.685 20 0 EHADMP COc1ccc([C@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000543702771 1136655173 /nfs/dbraw/zinc/65/51/73/1136655173.db2.gz PGFVTZYLJKPSMJ-IIBYNOLFSA-N 2 1 342.458 3.855 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3C=CCCCCC3)C2)ccn1 ZINC000856584047 1136797378 /nfs/dbraw/zinc/79/73/78/1136797378.db2.gz CPIOEYXPYXDYAS-CTNGQTDRSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)ccn1 ZINC000856584047 1136797381 /nfs/dbraw/zinc/79/73/81/1136797381.db2.gz CPIOEYXPYXDYAS-CTNGQTDRSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)ccn1 ZINC000856584047 1136797384 /nfs/dbraw/zinc/79/73/84/1136797384.db2.gz CPIOEYXPYXDYAS-CTNGQTDRSA-N 2 1 343.515 3.875 20 0 EHADMP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c(Cl)n1 ZINC000856768307 1136808389 /nfs/dbraw/zinc/80/83/89/1136808389.db2.gz TUVJFAZQXGKREF-UHFFFAOYSA-N 2 1 346.906 3.739 20 0 EHADMP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819043108 1136901496 /nfs/dbraw/zinc/90/14/96/1136901496.db2.gz PJGPPFGTNWPFRL-QGZVFWFLSA-N 2 1 344.421 3.593 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000819100819 1136908782 /nfs/dbraw/zinc/90/87/82/1136908782.db2.gz IXCOTFOXFXOAEQ-NSHGMRRFSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000819100819 1136908785 /nfs/dbraw/zinc/90/87/85/1136908785.db2.gz IXCOTFOXFXOAEQ-NSHGMRRFSA-N 2 1 344.524 3.763 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819078552 1136911332 /nfs/dbraw/zinc/91/13/32/1136911332.db2.gz JQDBCPVDTACUEL-IERDGZPVSA-N 2 1 342.458 3.674 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857847301 1136912288 /nfs/dbraw/zinc/91/22/88/1136912288.db2.gz MTIPAWTUFRIDBA-JXFKEZNVSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857847301 1136912292 /nfs/dbraw/zinc/91/22/92/1136912292.db2.gz MTIPAWTUFRIDBA-JXFKEZNVSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847301 1136912295 /nfs/dbraw/zinc/91/22/95/1136912295.db2.gz MTIPAWTUFRIDBA-JXFKEZNVSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847301 1136912300 /nfs/dbraw/zinc/91/23/00/1136912300.db2.gz MTIPAWTUFRIDBA-JXFKEZNVSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000858166148 1136945824 /nfs/dbraw/zinc/94/58/24/1136945824.db2.gz AZHINBRIJFMVKA-FUHWJXTLSA-N 2 1 343.515 3.727 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccns1 ZINC000858576509 1136980118 /nfs/dbraw/zinc/98/01/18/1136980118.db2.gz LUUVOKFQPQQROY-DDBAPUKQSA-N 2 1 327.497 3.989 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccns1 ZINC000858576509 1136980120 /nfs/dbraw/zinc/98/01/20/1136980120.db2.gz LUUVOKFQPQQROY-DDBAPUKQSA-N 2 1 327.497 3.989 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000429544214 1136987640 /nfs/dbraw/zinc/98/76/40/1136987640.db2.gz XHYBEQKBEJSCAT-OAHLLOKOSA-N 2 1 330.394 3.544 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000429544214 1136987642 /nfs/dbraw/zinc/98/76/42/1136987642.db2.gz XHYBEQKBEJSCAT-OAHLLOKOSA-N 2 1 330.394 3.544 20 0 EHADMP Fc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001170947939 1136994827 /nfs/dbraw/zinc/99/48/27/1136994827.db2.gz ZDZYEKWAFMBQAH-HXUWFJFHSA-N 2 1 338.470 3.937 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170968291 1137032956 /nfs/dbraw/zinc/03/29/56/1137032956.db2.gz CODNODDXGHJSJY-QFBILLFUSA-N 2 1 326.459 3.780 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)c1 ZINC000863690168 1137199577 /nfs/dbraw/zinc/19/95/77/1137199577.db2.gz MDNBUNUTEXYAEE-XGRCMKMKSA-N 2 1 336.479 3.733 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171140127 1137240452 /nfs/dbraw/zinc/24/04/52/1137240452.db2.gz URKBBZXGNVVZMN-DOMZBBRYSA-N 2 1 327.299 3.782 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246546869 1137249295 /nfs/dbraw/zinc/24/92/95/1137249295.db2.gz AYLBOPOBKUKQIA-BBRMVZONSA-N 2 1 325.294 3.583 20 0 EHADMP O[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878064 1137318307 /nfs/dbraw/zinc/31/83/07/1137318307.db2.gz YKELYLFCWQFDHE-SFTDATJTSA-N 2 1 342.527 3.714 20 0 EHADMP O[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878064 1137318309 /nfs/dbraw/zinc/31/83/09/1137318309.db2.gz YKELYLFCWQFDHE-SFTDATJTSA-N 2 1 342.527 3.714 20 0 EHADMP CC[N@@H+](CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000846024178 1137326761 /nfs/dbraw/zinc/32/67/61/1137326761.db2.gz ZQPJAMACAZDIAL-HOCLYGCPSA-N 2 1 336.442 3.731 20 0 EHADMP Clc1cncc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666990 1137372884 /nfs/dbraw/zinc/37/28/84/1137372884.db2.gz ZKAQBYGMDRUGGF-QWHCGFSZSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666990 1137372885 /nfs/dbraw/zinc/37/28/85/1137372885.db2.gz ZKAQBYGMDRUGGF-QWHCGFSZSA-N 2 1 328.287 3.600 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704188 1137374734 /nfs/dbraw/zinc/37/47/34/1137374734.db2.gz MQCRWKGPFXWPGW-LAUBAEHRSA-N 2 1 345.531 3.636 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704188 1137374735 /nfs/dbraw/zinc/37/47/35/1137374735.db2.gz MQCRWKGPFXWPGW-LAUBAEHRSA-N 2 1 345.531 3.636 20 0 EHADMP COc1ccccc1-c1nc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000866707033 1137374877 /nfs/dbraw/zinc/37/48/77/1137374877.db2.gz GRAGXXKEGCDUNQ-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccccc1-c1nc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000866707033 1137374879 /nfs/dbraw/zinc/37/48/79/1137374879.db2.gz GRAGXXKEGCDUNQ-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)c2cc1C ZINC000866706629 1137375120 /nfs/dbraw/zinc/37/51/20/1137375120.db2.gz JBVAIHVWSQUNCN-OAQYLSRUSA-N 2 1 342.483 3.607 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([N@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001171290805 1137396384 /nfs/dbraw/zinc/39/63/84/1137396384.db2.gz BIUYIHBWANDUMR-MRXNPFEDSA-N 2 1 344.886 3.667 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001171290805 1137396385 /nfs/dbraw/zinc/39/63/85/1137396385.db2.gz BIUYIHBWANDUMR-MRXNPFEDSA-N 2 1 344.886 3.667 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000348108240 1137445434 /nfs/dbraw/zinc/44/54/34/1137445434.db2.gz KKTOYTKIMJGTRR-OALUTQOASA-N 2 1 340.515 3.567 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000348108240 1137445435 /nfs/dbraw/zinc/44/54/35/1137445435.db2.gz KKTOYTKIMJGTRR-OALUTQOASA-N 2 1 340.515 3.567 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411690 1137475653 /nfs/dbraw/zinc/47/56/53/1137475653.db2.gz MFBQVJPDWBNPRO-GOSISDBHSA-N 2 1 342.433 3.772 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220497 1137475970 /nfs/dbraw/zinc/47/59/70/1137475970.db2.gz SEOYUAAGXFZMIT-PMJAUZGISA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715220497 1137475972 /nfs/dbraw/zinc/47/59/72/1137475972.db2.gz SEOYUAAGXFZMIT-PMJAUZGISA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716619063 1137487567 /nfs/dbraw/zinc/48/75/67/1137487567.db2.gz BARQSGMKIZYSQN-KPACCLEDSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171551219 1137497446 /nfs/dbraw/zinc/49/74/46/1137497446.db2.gz OHYVTZYJOBEJAK-RBBKRZOGSA-N 2 1 334.507 3.964 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171623004 1137501092 /nfs/dbraw/zinc/50/10/92/1137501092.db2.gz GIOIVHLZENLUBJ-UHFFFAOYSA-N 3 1 344.547 3.600 20 0 EHADMP C=C/C=C\CC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171637295 1137504248 /nfs/dbraw/zinc/50/42/48/1137504248.db2.gz URPWEVIXMMXUGD-ARHOITHKSA-N 2 1 328.500 3.860 20 0 EHADMP C=C/C=C\CC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171637295 1137504250 /nfs/dbraw/zinc/50/42/50/1137504250.db2.gz URPWEVIXMMXUGD-ARHOITHKSA-N 2 1 328.500 3.860 20 0 EHADMP C=C/C=C\CC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171637295 1137504252 /nfs/dbraw/zinc/50/42/52/1137504252.db2.gz URPWEVIXMMXUGD-ARHOITHKSA-N 2 1 328.500 3.860 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636030 1137504316 /nfs/dbraw/zinc/50/43/16/1137504316.db2.gz CYNFABIKZYEYFB-SFHVURJKSA-N 2 1 334.479 3.930 20 0 EHADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171739589 1137510893 /nfs/dbraw/zinc/51/08/93/1137510893.db2.gz QFXLGJQVXWPFKY-YUXAGFNASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739589 1137510895 /nfs/dbraw/zinc/51/08/95/1137510895.db2.gz QFXLGJQVXWPFKY-YUXAGFNASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739589 1137510897 /nfs/dbraw/zinc/51/08/97/1137510897.db2.gz QFXLGJQVXWPFKY-YUXAGFNASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H](n2cncc2-c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171740957 1137511199 /nfs/dbraw/zinc/51/11/99/1137511199.db2.gz MHIZHEMSQUETSK-LAUBAEHRSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171791013 1137512548 /nfs/dbraw/zinc/51/25/48/1137512548.db2.gz XNJKSSCDLUEDQT-PERKRYKHSA-N 2 1 338.470 3.793 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171791013 1137512550 /nfs/dbraw/zinc/51/25/50/1137512550.db2.gz XNJKSSCDLUEDQT-PERKRYKHSA-N 2 1 338.470 3.793 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870867722 1137513621 /nfs/dbraw/zinc/51/36/21/1137513621.db2.gz KAFVTRAWNHQCRF-KBAYOESNSA-N 2 1 329.488 3.517 20 0 EHADMP CCOC(=O)C1(C)CCC([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001171943979 1137521906 /nfs/dbraw/zinc/52/19/06/1137521906.db2.gz ILDKQZLXEUYNEV-FQVISZRSSA-N 2 1 346.515 3.595 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989203 1137522641 /nfs/dbraw/zinc/52/26/41/1137522641.db2.gz ZYNUTSDBVSMNBF-RBUKOAKNSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989203 1137522642 /nfs/dbraw/zinc/52/26/42/1137522642.db2.gz ZYNUTSDBVSMNBF-RBUKOAKNSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989203 1137522643 /nfs/dbraw/zinc/52/26/43/1137522643.db2.gz ZYNUTSDBVSMNBF-RBUKOAKNSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989203 1137522644 /nfs/dbraw/zinc/52/26/44/1137522644.db2.gz ZYNUTSDBVSMNBF-RBUKOAKNSA-N 2 1 330.516 3.665 20 0 EHADMP CC1(C)C[C@H]([NH2+]CC2(F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171972867 1137524258 /nfs/dbraw/zinc/52/42/58/1137524258.db2.gz TUIJKNFILRLBQT-GOSISDBHSA-N 2 1 334.479 3.538 20 0 EHADMP CC[NH+](CC)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976753 1137525038 /nfs/dbraw/zinc/52/50/38/1137525038.db2.gz NJIBJBVKWGEOHP-HXUWFJFHSA-N 2 1 331.548 3.703 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976359 1137525101 /nfs/dbraw/zinc/52/51/01/1137525101.db2.gz KJVFVAIHMMQZPC-LMNJBCLMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976359 1137525102 /nfs/dbraw/zinc/52/51/02/1137525102.db2.gz KJVFVAIHMMQZPC-LMNJBCLMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976359 1137525103 /nfs/dbraw/zinc/52/51/03/1137525103.db2.gz KJVFVAIHMMQZPC-LMNJBCLMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@]1(C)O ZINC001171976359 1137525104 /nfs/dbraw/zinc/52/51/04/1137525104.db2.gz KJVFVAIHMMQZPC-LMNJBCLMSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977105 1137525106 /nfs/dbraw/zinc/52/51/06/1137525106.db2.gz XHNOSNDBOXGJPD-UXHICEINSA-N 2 1 346.515 3.562 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977987 1137526155 /nfs/dbraw/zinc/52/61/55/1137526155.db2.gz VOVAFWDZMBGWPL-PZJWPPBQSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977987 1137526157 /nfs/dbraw/zinc/52/61/57/1137526157.db2.gz VOVAFWDZMBGWPL-PZJWPPBQSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977987 1137526159 /nfs/dbraw/zinc/52/61/59/1137526159.db2.gz VOVAFWDZMBGWPL-PZJWPPBQSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H](NCc2[nH+]cn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC001171980107 1137526404 /nfs/dbraw/zinc/52/64/04/1137526404.db2.gz PAIONBSIUMIGAK-IBGZPJMESA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H](NCc2[nH+]cn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC001171980107 1137526406 /nfs/dbraw/zinc/52/64/06/1137526406.db2.gz PAIONBSIUMIGAK-IBGZPJMESA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171983016 1137526508 /nfs/dbraw/zinc/52/65/08/1137526508.db2.gz LXRSSLGXJHQLHR-OALUTQOASA-N 2 1 328.500 3.588 20 0 EHADMP C[N@@H+](C[C@H]1CCCCO1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984363 1137527011 /nfs/dbraw/zinc/52/70/11/1137527011.db2.gz KOFLUAFIZNLTGZ-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@H]1CCCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984363 1137527012 /nfs/dbraw/zinc/52/70/12/1137527012.db2.gz KOFLUAFIZNLTGZ-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C[C@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984363 1137527013 /nfs/dbraw/zinc/52/70/13/1137527013.db2.gz KOFLUAFIZNLTGZ-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CC(C)([NH3+])C(C)(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076331 1137530398 /nfs/dbraw/zinc/53/03/98/1137530398.db2.gz HXEUFJMJDIKNSQ-LDLYASANSA-N 2 1 329.532 3.678 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065918 1137533858 /nfs/dbraw/zinc/53/38/58/1137533858.db2.gz BMMRWGOCTBRYKK-ZKTXZKFHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065918 1137533859 /nfs/dbraw/zinc/53/38/59/1137533859.db2.gz BMMRWGOCTBRYKK-ZKTXZKFHSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067561 1137534061 /nfs/dbraw/zinc/53/40/61/1137534061.db2.gz GRNKLOFTNOWMLJ-LELZANKISA-N 2 1 328.500 3.729 20 0 EHADMP COC1(c2ccccc2)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172128218 1137534963 /nfs/dbraw/zinc/53/49/63/1137534963.db2.gz PXTJDNHMKUFUJM-PMOLBWCYSA-N 2 1 328.500 3.639 20 0 EHADMP COC1(c2ccccc2)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172128218 1137534965 /nfs/dbraw/zinc/53/49/65/1137534965.db2.gz PXTJDNHMKUFUJM-PMOLBWCYSA-N 2 1 328.500 3.639 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001172106879 1137537064 /nfs/dbraw/zinc/53/70/64/1137537064.db2.gz QRTSFHYQAGQANK-BTTYYORXSA-N 2 1 346.368 3.829 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Cl)CCOCC1)C2 ZINC001172111241 1137537739 /nfs/dbraw/zinc/53/77/39/1137537739.db2.gz OQBNJKHUVOURKI-BJWYYQGGSA-N 2 1 348.918 3.951 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112491 1137537911 /nfs/dbraw/zinc/53/79/11/1137537911.db2.gz WMAFDOZBSDWOKY-WARAAXDBSA-N 2 1 333.564 3.764 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112491 1137537912 /nfs/dbraw/zinc/53/79/12/1137537912.db2.gz WMAFDOZBSDWOKY-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112491 1137537913 /nfs/dbraw/zinc/53/79/13/1137537913.db2.gz WMAFDOZBSDWOKY-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112491 1137537914 /nfs/dbraw/zinc/53/79/14/1137537914.db2.gz WMAFDOZBSDWOKY-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112491 1137537915 /nfs/dbraw/zinc/53/79/15/1137537915.db2.gz WMAFDOZBSDWOKY-WARAAXDBSA-N 3 1 333.564 3.764 20 0 EHADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC001172118182 1137538128 /nfs/dbraw/zinc/53/81/28/1137538128.db2.gz PDUCYOBYPDDLDX-MUJYYYPQSA-N 2 1 337.305 3.862 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3nc1C1CC[NH2+]CC1)C2 ZINC001172115723 1137538224 /nfs/dbraw/zinc/53/82/24/1137538224.db2.gz ZIUQCYIYJFAOPI-PIIMJCKOSA-N 2 1 338.499 3.691 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccsc1Br)C2 ZINC001172114385 1137538375 /nfs/dbraw/zinc/53/83/75/1137538375.db2.gz RDOMHKHFWZLKDZ-BTTYYORXSA-N 2 1 343.334 3.658 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CSc3ccccc3C2)[nH+]1 ZINC001172208870 1137541398 /nfs/dbraw/zinc/54/13/98/1137541398.db2.gz LTUQMESNWVNFSA-GOSISDBHSA-N 2 1 339.508 3.665 20 0 EHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172226697 1137542135 /nfs/dbraw/zinc/54/21/35/1137542135.db2.gz GVFVKBKSPKVECR-KBRMVUAJSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172226697 1137542136 /nfs/dbraw/zinc/54/21/36/1137542136.db2.gz GVFVKBKSPKVECR-KBRMVUAJSA-N 2 1 340.511 3.685 20 0 EHADMP COCCC[NH+]1CCC([N@H+](C)Cc2cccc3ccccc32)CC1 ZINC001172255021 1137544762 /nfs/dbraw/zinc/54/47/62/1137544762.db2.gz FXXXZWBHYLUDGM-UHFFFAOYSA-N 2 1 326.484 3.773 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](C)Cc2cccc3ccccc32)CC1 ZINC001172255021 1137544763 /nfs/dbraw/zinc/54/47/63/1137544763.db2.gz FXXXZWBHYLUDGM-UHFFFAOYSA-N 2 1 326.484 3.773 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@H]21 ZINC001172285890 1137547818 /nfs/dbraw/zinc/54/78/18/1137547818.db2.gz VTIDVYFWFMLAQW-PSBWJHGTSA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@H]21 ZINC001172285890 1137547819 /nfs/dbraw/zinc/54/78/19/1137547819.db2.gz VTIDVYFWFMLAQW-PSBWJHGTSA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@H]21 ZINC001172285890 1137547820 /nfs/dbraw/zinc/54/78/20/1137547820.db2.gz VTIDVYFWFMLAQW-PSBWJHGTSA-N 2 1 348.556 3.848 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(OC)c(OC)cc32)CC1 ZINC000872019447 1137564903 /nfs/dbraw/zinc/56/49/03/1137564903.db2.gz XCQLKFATMPANOS-SFHVURJKSA-N 2 1 332.488 3.545 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872028341 1137566212 /nfs/dbraw/zinc/56/62/12/1137566212.db2.gz JHEBWGDIBGVQGJ-ACRUOGEOSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000825583684 1137570979 /nfs/dbraw/zinc/57/09/79/1137570979.db2.gz RIHRPSCOLNRHNJ-GOSISDBHSA-N 2 1 325.456 3.599 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC000872110588 1137571808 /nfs/dbraw/zinc/57/18/08/1137571808.db2.gz ZWUZHNSELDEWCR-HSCHXYMDSA-N 2 1 325.456 3.789 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872154856 1137574004 /nfs/dbraw/zinc/57/40/04/1137574004.db2.gz CKBSZWXJVLIOHQ-KRWDZBQOSA-N 2 1 333.520 3.896 20 0 EHADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(s1)CC[NH2+]C3)CCC2 ZINC000873206810 1137594052 /nfs/dbraw/zinc/59/40/52/1137594052.db2.gz FVYJWPPEQTTZDO-HNNXBMFYSA-N 2 1 347.553 3.922 20 0 EHADMP COc1ccc([C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1F ZINC000873212785 1137594059 /nfs/dbraw/zinc/59/40/59/1137594059.db2.gz SJMPYPSVFZDWSC-AWEZNQCLSA-N 2 1 346.471 3.531 20 0 EHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC2(CCC2)O1 ZINC000878151284 1137704667 /nfs/dbraw/zinc/70/46/67/1137704667.db2.gz WYJKLUJPGLHGJN-WOJBJXKFSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC2(CCC2)O1 ZINC000878151284 1137704668 /nfs/dbraw/zinc/70/46/68/1137704668.db2.gz WYJKLUJPGLHGJN-WOJBJXKFSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC2(CCC2)O1 ZINC000878151284 1137704669 /nfs/dbraw/zinc/70/46/69/1137704669.db2.gz WYJKLUJPGLHGJN-WOJBJXKFSA-N 2 1 328.500 3.542 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878159420 1137705081 /nfs/dbraw/zinc/70/50/81/1137705081.db2.gz LQYZKMRCTCCQSH-CEWLAPEOSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878159420 1137705082 /nfs/dbraw/zinc/70/50/82/1137705082.db2.gz LQYZKMRCTCCQSH-CEWLAPEOSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878159420 1137705083 /nfs/dbraw/zinc/70/50/83/1137705083.db2.gz LQYZKMRCTCCQSH-CEWLAPEOSA-N 2 1 330.516 3.961 20 0 EHADMP C[N@H+](CCCOC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000878246509 1137708558 /nfs/dbraw/zinc/70/85/58/1137708558.db2.gz OSAIAVMRQKZDMR-UHFFFAOYSA-N 2 1 330.394 3.509 20 0 EHADMP C[N@@H+](CCCOC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000878246509 1137708559 /nfs/dbraw/zinc/70/85/59/1137708559.db2.gz OSAIAVMRQKZDMR-UHFFFAOYSA-N 2 1 330.394 3.509 20 0 EHADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCC4(CCC4)O3)CC2)n2c1CCCC2 ZINC000878529192 1137719017 /nfs/dbraw/zinc/71/90/17/1137719017.db2.gz VJELHGCQEAWBMC-GOSISDBHSA-N 2 1 329.488 3.501 20 0 EHADMP C[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608624 1137722008 /nfs/dbraw/zinc/72/20/08/1137722008.db2.gz XVOZDAXHNZNFQX-CADMSHOASA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608624 1137722009 /nfs/dbraw/zinc/72/20/09/1137722009.db2.gz XVOZDAXHNZNFQX-CADMSHOASA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608624 1137722010 /nfs/dbraw/zinc/72/20/10/1137722010.db2.gz XVOZDAXHNZNFQX-CADMSHOASA-N 2 1 328.500 3.854 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000879964915 1137763604 /nfs/dbraw/zinc/76/36/04/1137763604.db2.gz SQLYHHFYYCZCDC-HXUWFJFHSA-N 2 1 330.516 3.655 20 0 EHADMP CC(C)c1c[nH]c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000883074920 1137843582 /nfs/dbraw/zinc/84/35/82/1137843582.db2.gz MRVBYTHLMJYACA-PKOBYXMFSA-N 2 1 340.515 3.923 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883186513 1137847595 /nfs/dbraw/zinc/84/75/95/1137847595.db2.gz UIDLXPHHIBDSED-YWZLYKJASA-N 2 1 345.462 3.724 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccns2)CC1 ZINC000883247552 1137850356 /nfs/dbraw/zinc/85/03/56/1137850356.db2.gz OLIWWSQDNXTTFV-UHFFFAOYSA-N 2 1 329.513 3.718 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCC4(COC4)CC2)C3)cc1 ZINC000883380360 1137858174 /nfs/dbraw/zinc/85/81/74/1137858174.db2.gz JVWSQKZMXHZVEN-WKCHPHFGSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000119728530 1137944099 /nfs/dbraw/zinc/94/40/99/1137944099.db2.gz PYHCWOWRUFKOJB-LBPRGKRZSA-N 2 1 328.378 3.863 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)co3)CC2)cs1 ZINC000885978064 1138029761 /nfs/dbraw/zinc/02/97/61/1138029761.db2.gz QNDQKAHXSDIFQZ-UHFFFAOYSA-N 2 1 333.501 3.609 20 0 EHADMP Oc1ccccc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886521257 1138089364 /nfs/dbraw/zinc/08/93/64/1138089364.db2.gz XLYSOKAOQYLRBJ-JBACZVJFSA-N 2 1 336.479 3.577 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886532222 1138091103 /nfs/dbraw/zinc/09/11/03/1138091103.db2.gz GFPSIOOZLFUCFA-LEAZDLGRSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)[nH+]c1C ZINC000886666524 1138111525 /nfs/dbraw/zinc/11/15/25/1138111525.db2.gz UPQHURWZTVUBPB-KRWDZBQOSA-N 2 1 333.863 3.593 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)[nH+]c1C ZINC000886670463 1138111941 /nfs/dbraw/zinc/11/19/41/1138111941.db2.gz PTWLJGVUJIALOD-UHFFFAOYSA-N 2 1 331.435 3.814 20 0 EHADMP COc1ccccc1SC[C@@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089515527 1138200671 /nfs/dbraw/zinc/20/06/71/1138200671.db2.gz UAFKZODMZLAYMN-YESZJQIVSA-N 2 1 334.529 3.640 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000090585256 1138212242 /nfs/dbraw/zinc/21/22/42/1138212242.db2.gz NXISKGCHDLWDBN-IRXDYDNUSA-N 2 1 334.504 3.722 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000091726552 1138221222 /nfs/dbraw/zinc/22/12/22/1138221222.db2.gz XOHNUJMOCLPHSJ-FXAWDEMLSA-N 2 1 346.515 3.545 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016664 1138233332 /nfs/dbraw/zinc/23/33/32/1138233332.db2.gz FAHRTFLHSOIPRI-FQEVSTJZSA-N 2 1 343.515 3.733 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016664 1138233333 /nfs/dbraw/zinc/23/33/33/1138233333.db2.gz FAHRTFLHSOIPRI-FQEVSTJZSA-N 2 1 343.515 3.733 20 0 EHADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093643676 1138238874 /nfs/dbraw/zinc/23/88/74/1138238874.db2.gz HVQYTZGFWRWVKJ-HIFRSBDPSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc(Cl)c1OC ZINC000093643676 1138238875 /nfs/dbraw/zinc/23/88/75/1138238875.db2.gz HVQYTZGFWRWVKJ-HIFRSBDPSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc(Cl)c1OC ZINC000093643676 1138238877 /nfs/dbraw/zinc/23/88/77/1138238877.db2.gz HVQYTZGFWRWVKJ-HIFRSBDPSA-N 2 1 340.895 3.662 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000123021113 1138265319 /nfs/dbraw/zinc/26/53/19/1138265319.db2.gz QJSOUSMIEALPLT-WCQYABFASA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000123021113 1138265320 /nfs/dbraw/zinc/26/53/20/1138265320.db2.gz QJSOUSMIEALPLT-WCQYABFASA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123021113 1138265321 /nfs/dbraw/zinc/26/53/21/1138265321.db2.gz QJSOUSMIEALPLT-WCQYABFASA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123021113 1138265322 /nfs/dbraw/zinc/26/53/22/1138265322.db2.gz QJSOUSMIEALPLT-WCQYABFASA-N 2 1 329.257 3.503 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000125243103 1138303947 /nfs/dbraw/zinc/30/39/47/1138303947.db2.gz RJXFECNJNFPYAW-UHFFFAOYSA-N 2 1 334.467 3.987 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000125243103 1138303951 /nfs/dbraw/zinc/30/39/51/1138303951.db2.gz RJXFECNJNFPYAW-UHFFFAOYSA-N 2 1 334.467 3.987 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000125755645 1138315584 /nfs/dbraw/zinc/31/55/84/1138315584.db2.gz HPWBNUVODISDTQ-DLBZAZTESA-N 2 1 334.504 3.783 20 0 EHADMP Cc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CCC2 ZINC000333875349 1138342417 /nfs/dbraw/zinc/34/24/17/1138342417.db2.gz VFTLTUAIUVVBGU-INCKADGYSA-N 2 1 331.529 3.572 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)CC2)oc1C ZINC000337400715 1138557416 /nfs/dbraw/zinc/55/74/16/1138557416.db2.gz QWZVYWUVOJXBAG-GGPKGHCWSA-N 2 1 331.504 3.672 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccncc1F ZINC000338008629 1138722980 /nfs/dbraw/zinc/72/29/80/1138722980.db2.gz DCSJPUNEJAPJKR-YYKUARIBSA-N 2 1 339.458 3.782 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccncc1F ZINC000338008629 1138722981 /nfs/dbraw/zinc/72/29/81/1138722981.db2.gz DCSJPUNEJAPJKR-YYKUARIBSA-N 2 1 339.458 3.782 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1)CC(C)C ZINC000338288050 1138817059 /nfs/dbraw/zinc/81/70/59/1138817059.db2.gz OXAMIENJJZQBLS-UHFFFAOYSA-N 2 1 349.567 3.613 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1)CC(C)C ZINC000338288050 1138817065 /nfs/dbraw/zinc/81/70/65/1138817065.db2.gz OXAMIENJJZQBLS-UHFFFAOYSA-N 2 1 349.567 3.613 20 0 EHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1)CC(C)C ZINC000338290097 1138818464 /nfs/dbraw/zinc/81/84/64/1138818464.db2.gz UECZBWIDUMXYSB-HNNXBMFYSA-N 2 1 338.565 3.988 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1)CC(C)C ZINC000338290097 1138818467 /nfs/dbraw/zinc/81/84/67/1138818467.db2.gz UECZBWIDUMXYSB-HNNXBMFYSA-N 2 1 338.565 3.988 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152164035 1139077310 /nfs/dbraw/zinc/07/73/10/1139077310.db2.gz WEFXZJZOWPCFBW-BFHYXJOUSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152164035 1139077317 /nfs/dbraw/zinc/07/73/17/1139077317.db2.gz WEFXZJZOWPCFBW-BFHYXJOUSA-N 2 1 330.394 3.545 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc3ccccc3c2)CC1 ZINC000177213024 1139604772 /nfs/dbraw/zinc/60/47/72/1139604772.db2.gz VDWLPEVWSHOVCR-LJQANCHMSA-N 2 1 339.527 3.908 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccsc2)CC1 ZINC000178133485 1139672844 /nfs/dbraw/zinc/67/28/44/1139672844.db2.gz BGHSBZMNWOQERO-QGZVFWFLSA-N 2 1 343.540 3.736 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000178488764 1139699641 /nfs/dbraw/zinc/69/96/41/1139699641.db2.gz LRVSFUBYSDAULI-VDXVPGQCSA-N 2 1 340.515 3.536 20 0 EHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(F)cc1 ZINC000178695723 1139712879 /nfs/dbraw/zinc/71/28/79/1139712879.db2.gz DOQAZHPLEQYPJZ-LJQANCHMSA-N 2 1 342.462 3.942 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C ZINC000182259366 1139961727 /nfs/dbraw/zinc/96/17/27/1139961727.db2.gz WJWVJAYHAFZPOW-NQIIRXRSSA-N 2 1 338.495 3.721 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccnc1 ZINC000184894045 1140124701 /nfs/dbraw/zinc/12/47/01/1140124701.db2.gz PXPXVSHHLWNADV-OAQYLSRUSA-N 2 1 339.483 3.545 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763956 1140168442 /nfs/dbraw/zinc/16/84/42/1140168442.db2.gz LRXHTFVAYWJLJR-OGWOLHLISA-N 2 1 336.907 3.616 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763974 1140168800 /nfs/dbraw/zinc/16/88/00/1140168800.db2.gz LRXHTFVAYWJLJR-QOKNQOGYSA-N 2 1 336.907 3.616 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CCS2 ZINC000191518533 1140469773 /nfs/dbraw/zinc/46/97/73/1140469773.db2.gz QAZQWIXPLKDLDH-KRWDZBQOSA-N 2 1 331.485 3.807 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC[C@@H]2CCCCO2)C3)cc1 ZINC000193276175 1140568818 /nfs/dbraw/zinc/56/88/18/1140568818.db2.gz IXPMLTWLOLHOMV-VTHDOGFWSA-N 2 1 328.500 3.731 20 0 EHADMP CC[NH+](CCCC[N@H+](CC)Cc1ccccn1)Cc1ccccn1 ZINC000268105260 1140883674 /nfs/dbraw/zinc/88/36/74/1140883674.db2.gz BEOAZVJMKRUPKY-UHFFFAOYSA-N 2 1 326.488 3.601 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC(F)F ZINC000268773786 1140988048 /nfs/dbraw/zinc/98/80/48/1140988048.db2.gz ALNJBLUSESWKQT-GFCCVEGCSA-N 2 1 339.386 3.542 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000268832127 1141002458 /nfs/dbraw/zinc/00/24/58/1141002458.db2.gz FPSJUWBHJLMCFI-GFCCVEGCSA-N 2 1 327.350 3.831 20 0 EHADMP COc1cc(OC)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000268872829 1141015032 /nfs/dbraw/zinc/01/50/32/1141015032.db2.gz PRYBAGNORNPUNF-GFCCVEGCSA-N 2 1 337.851 3.603 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269092400 1141063856 /nfs/dbraw/zinc/06/38/56/1141063856.db2.gz QUWPUKSYWWHDRY-NQIIRXRSSA-N 3 1 343.559 3.892 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000269126665 1141070177 /nfs/dbraw/zinc/07/01/77/1141070177.db2.gz YTGUCLCISHUIQG-INIZCTEOSA-N 2 1 342.483 3.650 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000270414787 1141220546 /nfs/dbraw/zinc/22/05/46/1141220546.db2.gz CXAYYJZFLFENRZ-QGZVFWFLSA-N 2 1 326.484 3.870 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000271151939 1141315467 /nfs/dbraw/zinc/31/54/67/1141315467.db2.gz QJSFXUKCAZBRBX-IEBWSBKVSA-N 2 1 328.500 3.778 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000274180786 1141482897 /nfs/dbraw/zinc/48/28/97/1141482897.db2.gz FGHQWZQNJRRVAK-WIYYLYMNSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000274180786 1141482898 /nfs/dbraw/zinc/48/28/98/1141482898.db2.gz FGHQWZQNJRRVAK-WIYYLYMNSA-N 2 1 330.516 3.693 20 0 EHADMP CSCc1cnc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000339183526 1141521009 /nfs/dbraw/zinc/52/10/09/1141521009.db2.gz PDQLVZAFJXGOFF-AWEZNQCLSA-N 2 1 327.563 3.750 20 0 EHADMP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000274419338 1141523392 /nfs/dbraw/zinc/52/33/92/1141523392.db2.gz KWMLLNXTXFNSGD-MIGBEJBISA-N 2 1 334.479 3.618 20 0 EHADMP CCc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348636542 1141558962 /nfs/dbraw/zinc/55/89/62/1141558962.db2.gz RDPLRSVWAZFRAN-QFIPXVFZSA-N 2 1 335.495 3.742 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2ccccc2n1 ZINC000550886577 370700812 /nfs/dbraw/zinc/70/08/12/370700812.db2.gz IBZRVLSGJJRDBS-KSZLIROESA-N 2 1 328.504 3.743 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[NH+](C)C[C@H]2C)nc1 ZINC001164637884 719250881 /nfs/dbraw/zinc/25/08/81/719250881.db2.gz XCJBIJNAMXEZMU-ZHALLVOQSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc1 ZINC001164637884 719250883 /nfs/dbraw/zinc/25/08/83/719250883.db2.gz XCJBIJNAMXEZMU-ZHALLVOQSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC001164637884 719250887 /nfs/dbraw/zinc/25/08/87/719250887.db2.gz XCJBIJNAMXEZMU-ZHALLVOQSA-N 2 1 330.520 3.547 20 0 EHADMP C[N@@H+](Cc1cc2cccnc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449028075 1032061270 /nfs/dbraw/zinc/06/12/70/1032061270.db2.gz NQYHUUWMVBMCAT-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP C[N@H+](Cc1cc2cccnc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449028075 1032061285 /nfs/dbraw/zinc/06/12/85/1032061285.db2.gz NQYHUUWMVBMCAT-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cccnc2o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449028075 1032061304 /nfs/dbraw/zinc/06/13/04/1032061304.db2.gz NQYHUUWMVBMCAT-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cccnc2o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449028075 1032061319 /nfs/dbraw/zinc/06/13/19/1032061319.db2.gz NQYHUUWMVBMCAT-GOSISDBHSA-N 2 1 335.451 3.782 20 0 EHADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537971704 1032072755 /nfs/dbraw/zinc/07/27/55/1032072755.db2.gz CNPVTCILGXXYIK-SIKLNZKXSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537971704 1032072772 /nfs/dbraw/zinc/07/27/72/1032072772.db2.gz CNPVTCILGXXYIK-SIKLNZKXSA-N 2 1 338.495 3.874 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000430140580 1014169248 /nfs/dbraw/zinc/16/92/48/1014169248.db2.gz OWBBYSRUURHFAY-XUVXKRRUSA-N 2 1 330.516 3.692 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000683106550 1014328746 /nfs/dbraw/zinc/32/87/46/1014328746.db2.gz APOOJZCGFFUHGZ-CEMLEFRQSA-N 2 1 342.527 3.946 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000584199748 1031923086 /nfs/dbraw/zinc/92/30/86/1031923086.db2.gz VXNCRFHUZDLINH-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000584199748 1031923103 /nfs/dbraw/zinc/92/31/03/1031923103.db2.gz VXNCRFHUZDLINH-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000584199748 1031923117 /nfs/dbraw/zinc/92/31/17/1031923117.db2.gz VXNCRFHUZDLINH-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000584199748 1031923132 /nfs/dbraw/zinc/92/31/32/1031923132.db2.gz VXNCRFHUZDLINH-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427536 1014405591 /nfs/dbraw/zinc/40/55/91/1014405591.db2.gz WRLMDRGHINMSEB-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427536 1014405595 /nfs/dbraw/zinc/40/55/95/1014405595.db2.gz WRLMDRGHINMSEB-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427536 1014405603 /nfs/dbraw/zinc/40/56/03/1014405603.db2.gz WRLMDRGHINMSEB-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427536 1014405610 /nfs/dbraw/zinc/40/56/10/1014405610.db2.gz WRLMDRGHINMSEB-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)s1 ZINC000643546671 1014481377 /nfs/dbraw/zinc/48/13/77/1014481377.db2.gz SPAXYRKGAQKOMX-QWRGUYRKSA-N 2 1 329.307 3.836 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1ccc(F)cc1 ZINC000643546887 1014491586 /nfs/dbraw/zinc/49/15/86/1014491586.db2.gz WHKYNEJGKKNFJT-WMLDXEAASA-N 2 1 342.462 3.645 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC2)OC(C)(C)c2ccccc23)C1 ZINC001208612280 1015070777 /nfs/dbraw/zinc/07/07/77/1015070777.db2.gz MBUBXTIMDLTPJX-KRWDZBQOSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]([NH2+]CCC[C@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274794716 1015170072 /nfs/dbraw/zinc/17/00/72/1015170072.db2.gz SPJWCCZGMMPTBY-CEWLAPEOSA-N 2 1 330.516 3.836 20 0 EHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C ZINC000179399652 1015376535 /nfs/dbraw/zinc/37/65/35/1015376535.db2.gz MACIVWXYHXQJCV-UHFFFAOYSA-N 2 1 342.487 3.631 20 0 EHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C ZINC000179399652 1015376549 /nfs/dbraw/zinc/37/65/49/1015376549.db2.gz MACIVWXYHXQJCV-UHFFFAOYSA-N 2 1 342.487 3.631 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)cc1 ZINC000183137343 1032137723 /nfs/dbraw/zinc/13/77/23/1032137723.db2.gz FZIBJXKUIBQQRS-MRXNPFEDSA-N 2 1 348.450 3.778 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904576430 1032142193 /nfs/dbraw/zinc/14/21/93/1032142193.db2.gz YEWBNOLZAPFJOU-MRXNPFEDSA-N 2 1 346.519 3.657 20 0 EHADMP CCC[N@H+](Cc1ccoc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417584 1016340358 /nfs/dbraw/zinc/34/03/58/1016340358.db2.gz MVIPLYPIYXKVDS-UHFFFAOYSA-N 2 1 328.460 3.567 20 0 EHADMP CCC[N@@H+](Cc1ccoc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417584 1016340369 /nfs/dbraw/zinc/34/03/69/1016340369.db2.gz MVIPLYPIYXKVDS-UHFFFAOYSA-N 2 1 328.460 3.567 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587084 1016382043 /nfs/dbraw/zinc/38/20/43/1016382043.db2.gz QYWHIYZTISQFJF-JXXFODFXSA-N 2 1 349.950 3.623 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000398176797 1016530137 /nfs/dbraw/zinc/53/01/37/1016530137.db2.gz VZUGOTCEHQOLJX-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000449074291 1032159695 /nfs/dbraw/zinc/15/96/95/1032159695.db2.gz KFTISZFCUOHFEG-GFCCVEGCSA-N 2 1 349.450 3.662 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000449074291 1032159702 /nfs/dbraw/zinc/15/97/02/1032159702.db2.gz KFTISZFCUOHFEG-GFCCVEGCSA-N 2 1 349.450 3.662 20 0 EHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132738 1032175197 /nfs/dbraw/zinc/17/51/97/1032175197.db2.gz SQKDDFDGOXWULE-GOSISDBHSA-N 2 1 339.527 3.859 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657838857 1032180167 /nfs/dbraw/zinc/18/01/67/1032180167.db2.gz ZOOMGBKQGSWUSF-PXNSSMCTSA-N 2 1 328.500 3.862 20 0 EHADMP CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183677004 1032192762 /nfs/dbraw/zinc/19/27/62/1032192762.db2.gz IWDKNVREPZDOLL-CVEARBPZSA-N 2 1 342.487 3.526 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000657842736 1032203505 /nfs/dbraw/zinc/20/35/05/1032203505.db2.gz WZVGRGGMKMNXNN-DOTOQJQBSA-N 2 1 339.321 3.702 20 0 EHADMP OCCCC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459534192 1032253783 /nfs/dbraw/zinc/25/37/83/1032253783.db2.gz LOPHVLYSPWLFCZ-JOCHJYFZSA-N 2 1 344.543 3.916 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)cc1 ZINC000191575572 1032255131 /nfs/dbraw/zinc/25/51/31/1032255131.db2.gz VUFFTYBZHKTQHU-UTKZUKDTSA-N 2 1 349.478 3.743 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[C@H]1c1cccs1 ZINC000449159565 1032259375 /nfs/dbraw/zinc/25/93/75/1032259375.db2.gz HHVKSXYREOBNTG-NUJGCVRESA-N 2 1 334.529 3.822 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[C@H]1c1cccs1 ZINC000449159565 1032259387 /nfs/dbraw/zinc/25/93/87/1032259387.db2.gz HHVKSXYREOBNTG-NUJGCVRESA-N 2 1 334.529 3.822 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449173997 1032266198 /nfs/dbraw/zinc/26/61/98/1032266198.db2.gz OWDIFUXKELHFRR-UPJWGTAASA-N 2 1 331.287 3.833 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449173997 1032266207 /nfs/dbraw/zinc/26/62/07/1032266207.db2.gz OWDIFUXKELHFRR-UPJWGTAASA-N 2 1 331.287 3.833 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185184694 1032357586 /nfs/dbraw/zinc/35/75/86/1032357586.db2.gz YPEDMQJRXSVFTR-OAHLLOKOSA-N 2 1 345.512 3.674 20 0 EHADMP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185184678 1032358356 /nfs/dbraw/zinc/35/83/56/1032358356.db2.gz YPEDMQJRXSVFTR-HNNXBMFYSA-N 2 1 345.512 3.674 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651983 1032373717 /nfs/dbraw/zinc/37/37/17/1032373717.db2.gz BHTFSZAYDFLPBM-JKSUJKDBSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651983 1032373726 /nfs/dbraw/zinc/37/37/26/1032373726.db2.gz BHTFSZAYDFLPBM-JKSUJKDBSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651983 1032373736 /nfs/dbraw/zinc/37/37/36/1032373736.db2.gz BHTFSZAYDFLPBM-JKSUJKDBSA-N 2 1 348.453 3.542 20 0 EHADMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000449347811 1032464453 /nfs/dbraw/zinc/46/44/53/1032464453.db2.gz RTTNORIKXBOYCH-IBGZPJMESA-N 2 1 343.559 3.561 20 0 EHADMP C[C@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000449347811 1032464455 /nfs/dbraw/zinc/46/44/55/1032464455.db2.gz RTTNORIKXBOYCH-IBGZPJMESA-N 2 1 343.559 3.561 20 0 EHADMP C[C@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000449347811 1032464460 /nfs/dbraw/zinc/46/44/60/1032464460.db2.gz RTTNORIKXBOYCH-IBGZPJMESA-N 2 1 343.559 3.561 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798364 1032480467 /nfs/dbraw/zinc/48/04/67/1032480467.db2.gz XLPYMNBZFBCVBM-HUUCEWRRSA-N 2 1 328.422 3.958 20 0 EHADMP CC1(C)C[N@H+](Cc2cc[nH]n2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414484 1032518675 /nfs/dbraw/zinc/51/86/75/1032518675.db2.gz MFKGJSCUNCEASY-HXUWFJFHSA-N 2 1 338.499 3.532 20 0 EHADMP CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414484 1032518680 /nfs/dbraw/zinc/51/86/80/1032518680.db2.gz MFKGJSCUNCEASY-HXUWFJFHSA-N 2 1 338.499 3.532 20 0 EHADMP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657859162 1032526481 /nfs/dbraw/zinc/52/64/81/1032526481.db2.gz QGLDRLRCXSJMFO-MWXLCCTBSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)nc1-c1ccccc1 ZINC000090399939 1032566137 /nfs/dbraw/zinc/56/61/37/1032566137.db2.gz PNQYPKYDGDCJGR-WMLDXEAASA-N 2 1 329.513 3.591 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261878093 1032567413 /nfs/dbraw/zinc/56/74/13/1032567413.db2.gz MENATTJAWAREGH-XTBFLFJDSA-N 2 1 328.378 3.705 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090521002 1032583210 /nfs/dbraw/zinc/58/32/10/1032583210.db2.gz PMKGWWNPXBKELU-BVYCBKJFSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090521002 1032583220 /nfs/dbraw/zinc/58/32/20/1032583220.db2.gz PMKGWWNPXBKELU-BVYCBKJFSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657861909 1032626113 /nfs/dbraw/zinc/62/61/13/1032626113.db2.gz AKIHCYPFYCOSIE-JTQLQIEISA-N 2 1 342.668 3.958 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449488788 1032645329 /nfs/dbraw/zinc/64/53/29/1032645329.db2.gz LDVBOUUSOMCJBW-FUPPJEDESA-N 2 1 349.522 3.823 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1C(F)(F)F ZINC001143484399 1017198048 /nfs/dbraw/zinc/19/80/48/1017198048.db2.gz OCEYDUBLKPPEBA-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1C(F)(F)F ZINC001143484399 1017198057 /nfs/dbraw/zinc/19/80/57/1017198057.db2.gz OCEYDUBLKPPEBA-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324500743 1017208356 /nfs/dbraw/zinc/20/83/56/1017208356.db2.gz LBZIIOKLNXGTFE-ZBFHGGJFSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324500743 1017208366 /nfs/dbraw/zinc/20/83/66/1017208366.db2.gz LBZIIOKLNXGTFE-ZBFHGGJFSA-N 2 1 328.378 3.549 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468556296 1017338828 /nfs/dbraw/zinc/33/88/28/1017338828.db2.gz VEQQTIPMMBJDFG-TYNCELHUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468556296 1017338836 /nfs/dbraw/zinc/33/88/36/1017338836.db2.gz VEQQTIPMMBJDFG-TYNCELHUSA-N 2 1 343.284 3.592 20 0 EHADMP CCOc1ccccc1[C@H](CC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655704352 1017419085 /nfs/dbraw/zinc/41/90/85/1017419085.db2.gz BHDPTIKUXGFBNC-QUCCMNQESA-N 2 1 346.515 3.769 20 0 EHADMP c1cc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)cs1 ZINC000415036662 1017453423 /nfs/dbraw/zinc/45/34/23/1017453423.db2.gz FXFYTHMAGOEZOJ-CJNGLKHVSA-N 2 1 333.526 3.836 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)cs1 ZINC000415036662 1017453430 /nfs/dbraw/zinc/45/34/30/1017453430.db2.gz FXFYTHMAGOEZOJ-CJNGLKHVSA-N 2 1 333.526 3.836 20 0 EHADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083318 1017526217 /nfs/dbraw/zinc/52/62/17/1017526217.db2.gz NJUGGWKWUBTMJU-UAFMIMERSA-N 2 1 330.516 3.911 20 0 EHADMP Fc1ccc(CCCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655755607 1017548027 /nfs/dbraw/zinc/54/80/27/1017548027.db2.gz GJEANYIRWBDIMJ-OAQYLSRUSA-N 2 1 348.506 3.772 20 0 EHADMP c1cc(SCC[NH+]2CCCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651960377 1017549317 /nfs/dbraw/zinc/54/93/17/1017549317.db2.gz CUAHXQYHMHGXTP-RTBURBONSA-N 2 1 345.556 3.913 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000415106066 1017559480 /nfs/dbraw/zinc/55/94/80/1017559480.db2.gz NUDDRJKFPXLKAF-NUEKZKHPSA-N 2 1 341.268 3.599 20 0 EHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C1 ZINC000415128155 1017593193 /nfs/dbraw/zinc/59/31/93/1017593193.db2.gz RTPQJOLQRZEMSB-OLZOCXBDSA-N 2 1 349.327 3.773 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655848511 1017766488 /nfs/dbraw/zinc/76/64/88/1017766488.db2.gz HDMJRABWJOPENE-DQLDELGASA-N 2 1 338.499 3.848 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000655848594 1017766519 /nfs/dbraw/zinc/76/65/19/1017766519.db2.gz IHPUBDWVVLFKEG-YJMBLLCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000655848594 1017766538 /nfs/dbraw/zinc/76/65/38/1017766538.db2.gz IHPUBDWVVLFKEG-YJMBLLCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000655848594 1017766546 /nfs/dbraw/zinc/76/65/46/1017766546.db2.gz IHPUBDWVVLFKEG-YJMBLLCNSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000340464567 1017936442 /nfs/dbraw/zinc/93/64/42/1017936442.db2.gz GFVCWWOVOBZULV-HXUWFJFHSA-N 2 1 328.504 3.538 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000893019725 1018180150 /nfs/dbraw/zinc/18/01/50/1018180150.db2.gz MDJBEEOBQSKJQP-FLAMNCDFSA-N 2 1 336.545 3.926 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000893019725 1018180161 /nfs/dbraw/zinc/18/01/61/1018180161.db2.gz MDJBEEOBQSKJQP-FLAMNCDFSA-N 2 1 336.545 3.926 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340522421 1018207799 /nfs/dbraw/zinc/20/77/99/1018207799.db2.gz ZESJIBVYPBTWQB-FQEVSTJZSA-N 2 1 328.504 3.538 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123502928 1018315154 /nfs/dbraw/zinc/31/51/54/1018315154.db2.gz YNNKFBHWDYFBFR-CHWSQXEVSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123502928 1018315165 /nfs/dbraw/zinc/31/51/65/1018315165.db2.gz YNNKFBHWDYFBFR-CHWSQXEVSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123502928 1018315176 /nfs/dbraw/zinc/31/51/76/1018315176.db2.gz YNNKFBHWDYFBFR-CHWSQXEVSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123502928 1018315191 /nfs/dbraw/zinc/31/51/91/1018315191.db2.gz YNNKFBHWDYFBFR-CHWSQXEVSA-N 2 1 331.287 3.787 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5Cc6ccccc6[C@@H]54)[C@H]3C2)cc1 ZINC000562901857 1032758904 /nfs/dbraw/zinc/75/89/04/1032758904.db2.gz JATSMKCHSMZGTG-HXRIWQBCSA-N 2 1 344.502 3.825 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc4cnccc4c3)C2)cc1 ZINC000683769859 1018457909 /nfs/dbraw/zinc/45/79/09/1018457909.db2.gz OSRMIFFXRMEHSX-OAQYLSRUSA-N 2 1 345.490 3.889 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000340598949 1018608935 /nfs/dbraw/zinc/60/89/35/1018608935.db2.gz AZRJPDCHJQPSNX-UHFFFAOYSA-N 2 1 348.494 3.956 20 0 EHADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000124757585 1018941166 /nfs/dbraw/zinc/94/11/66/1018941166.db2.gz AFASGGFMIBNKOX-OAQYLSRUSA-N 2 1 347.522 3.815 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCC(C)C ZINC000576436582 1018992284 /nfs/dbraw/zinc/99/22/84/1018992284.db2.gz XNFSWMCTVKCHHQ-RTBURBONSA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OCC(C)C ZINC000576436582 1018992293 /nfs/dbraw/zinc/99/22/93/1018992293.db2.gz XNFSWMCTVKCHHQ-RTBURBONSA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCC(C)C ZINC000576436582 1018992304 /nfs/dbraw/zinc/99/23/04/1018992304.db2.gz XNFSWMCTVKCHHQ-RTBURBONSA-N 2 1 346.515 3.646 20 0 EHADMP COC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615539 1018997611 /nfs/dbraw/zinc/99/76/11/1018997611.db2.gz AVCPKAYWPBWVNL-RXVVDRJESA-N 2 1 326.484 3.874 20 0 EHADMP COC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615539 1018997617 /nfs/dbraw/zinc/99/76/17/1018997617.db2.gz AVCPKAYWPBWVNL-RXVVDRJESA-N 2 1 326.484 3.874 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000894187161 1019096639 /nfs/dbraw/zinc/09/66/39/1019096639.db2.gz ZRLFZUAWUFHVFF-HOTGVXAUSA-N 2 1 327.472 3.751 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933181 1019164233 /nfs/dbraw/zinc/16/42/33/1019164233.db2.gz BOBWWEIZNNBGMY-XMTFNYHQSA-N 2 1 346.540 3.602 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000708558122 1032825517 /nfs/dbraw/zinc/82/55/17/1032825517.db2.gz COOZWIQQSCXIDZ-QFBILLFUSA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000708558122 1032825528 /nfs/dbraw/zinc/82/55/28/1032825528.db2.gz COOZWIQQSCXIDZ-QFBILLFUSA-N 2 1 342.458 3.692 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000513212685 1019418278 /nfs/dbraw/zinc/41/82/78/1019418278.db2.gz OWCWZMMQGZLLOL-HLAWJBBLSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212685 1019418286 /nfs/dbraw/zinc/41/82/86/1019418286.db2.gz OWCWZMMQGZLLOL-HLAWJBBLSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212685 1019418295 /nfs/dbraw/zinc/41/82/95/1019418295.db2.gz OWCWZMMQGZLLOL-HLAWJBBLSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513220982 1019436374 /nfs/dbraw/zinc/43/63/74/1019436374.db2.gz AKJNPPOOCONSGO-DBXWQHBBSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513220982 1019436379 /nfs/dbraw/zinc/43/63/79/1019436379.db2.gz AKJNPPOOCONSGO-DBXWQHBBSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513234361 1019461126 /nfs/dbraw/zinc/46/11/26/1019461126.db2.gz WFLWOPMJFOQUBM-SBHAEUEKSA-N 2 1 339.527 3.989 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513234361 1019461142 /nfs/dbraw/zinc/46/11/42/1019461142.db2.gz WFLWOPMJFOQUBM-SBHAEUEKSA-N 2 1 339.527 3.989 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000580551533 1019624532 /nfs/dbraw/zinc/62/45/32/1019624532.db2.gz QLMZYSVECCJLMA-HOTGVXAUSA-N 2 1 326.406 3.569 20 0 EHADMP CN1CC[C@@H](C[N@@H+](C)Cc2ccc3ncccc3c2)[C@@H]1c1cccnc1 ZINC000434016237 1019878194 /nfs/dbraw/zinc/87/81/94/1019878194.db2.gz LPZSFVNQIZKCGE-UNMCSNQZSA-N 2 1 346.478 3.755 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513656461 1019909599 /nfs/dbraw/zinc/90/95/99/1019909599.db2.gz TUGSRZNPCJQPQK-BRSBDYLESA-N 2 1 348.556 3.886 20 0 EHADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000580733026 1019930593 /nfs/dbraw/zinc/93/05/93/1019930593.db2.gz QXWWSIJJKXKFJJ-VVLHZNOGSA-N 2 1 338.417 3.828 20 0 EHADMP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCCC1CC[NH2+]CC1 ZINC000647880924 1020136918 /nfs/dbraw/zinc/13/69/18/1020136918.db2.gz FQDZPJZSHVZDEB-UHFFFAOYSA-N 2 1 340.515 3.721 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CC(C)=C[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000581100441 1020425027 /nfs/dbraw/zinc/42/50/27/1020425027.db2.gz MXRBZPXOPNFTJX-KSSFIOAISA-N 2 1 328.504 3.644 20 0 EHADMP Cc1ccc(CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]2CCCO2)cc1 ZINC001167461852 1020906230 /nfs/dbraw/zinc/90/62/30/1020906230.db2.gz UAQGSWGZRHYZNV-SFTDATJTSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]2CCCO2)cc1 ZINC001167461852 1020906234 /nfs/dbraw/zinc/90/62/34/1020906234.db2.gz UAQGSWGZRHYZNV-SFTDATJTSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]2CCCO2)cc1 ZINC001167461852 1020906239 /nfs/dbraw/zinc/90/62/39/1020906239.db2.gz UAQGSWGZRHYZNV-SFTDATJTSA-N 2 1 330.516 3.503 20 0 EHADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000296066660 1021247843 /nfs/dbraw/zinc/24/78/43/1021247843.db2.gz RYIQVAKCAMKUCB-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422248 1021255728 /nfs/dbraw/zinc/25/57/28/1021255728.db2.gz PBESQUVBNBVJPW-VUHPKUFZSA-N 2 1 330.520 3.909 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000507422248 1021255740 /nfs/dbraw/zinc/25/57/40/1021255740.db2.gz PBESQUVBNBVJPW-VUHPKUFZSA-N 2 1 330.520 3.909 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC(C)C ZINC000656786534 1021333020 /nfs/dbraw/zinc/33/30/20/1021333020.db2.gz UELGXTSLGGHDHG-IBGZPJMESA-N 2 1 346.515 3.694 20 0 EHADMP Fc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656784418 1021333994 /nfs/dbraw/zinc/33/39/94/1021333994.db2.gz DDPLGHOPFSANDS-HNNXBMFYSA-N 2 1 342.405 3.639 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558282 1032971338 /nfs/dbraw/zinc/97/13/38/1032971338.db2.gz KMAJYJBGFQVJIX-PKOBYXMFSA-N 2 1 344.499 3.676 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558282 1032971354 /nfs/dbraw/zinc/97/13/54/1032971354.db2.gz KMAJYJBGFQVJIX-PKOBYXMFSA-N 2 1 344.499 3.676 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)cc1O ZINC000426366007 1021394244 /nfs/dbraw/zinc/39/42/44/1021394244.db2.gz NYZFFAUNENAFDL-HKUYNNGSSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)cc1O ZINC000426366007 1021394266 /nfs/dbraw/zinc/39/42/66/1021394266.db2.gz NYZFFAUNENAFDL-HKUYNNGSSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1O ZINC000426406220 1021497927 /nfs/dbraw/zinc/49/79/27/1021497927.db2.gz OQZRYRJBMRYEAM-YESZJQIVSA-N 2 1 334.504 3.574 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1O ZINC000426406220 1021497935 /nfs/dbraw/zinc/49/79/35/1021497935.db2.gz OQZRYRJBMRYEAM-YESZJQIVSA-N 2 1 334.504 3.574 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1O ZINC000426406218 1021498103 /nfs/dbraw/zinc/49/81/03/1021498103.db2.gz OQZRYRJBMRYEAM-GVDBMIGSSA-N 2 1 334.504 3.574 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1O ZINC000426406218 1021498108 /nfs/dbraw/zinc/49/81/08/1021498108.db2.gz OQZRYRJBMRYEAM-GVDBMIGSSA-N 2 1 334.504 3.574 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(Br)cs2)C1 ZINC000518765694 1021515238 /nfs/dbraw/zinc/51/52/38/1021515238.db2.gz XUXJDXGQWQULKE-STQMWFEESA-N 2 1 345.350 3.968 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000519795581 1021681553 /nfs/dbraw/zinc/68/15/53/1021681553.db2.gz ZOPFYUSOTVCCKU-UONOGXRCSA-N 2 1 327.310 3.871 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000519795581 1021681560 /nfs/dbraw/zinc/68/15/60/1021681560.db2.gz ZOPFYUSOTVCCKU-UONOGXRCSA-N 2 1 327.310 3.871 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441165926 1022029157 /nfs/dbraw/zinc/02/91/57/1022029157.db2.gz JTXGKIZIVIMDHT-LJQANCHMSA-N 2 1 344.499 3.560 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441165926 1022029171 /nfs/dbraw/zinc/02/91/71/1022029171.db2.gz JTXGKIZIVIMDHT-LJQANCHMSA-N 2 1 344.499 3.560 20 0 EHADMP CCc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000276661870 1022062135 /nfs/dbraw/zinc/06/21/35/1022062135.db2.gz RZPFOOILJQKZFL-QFIPXVFZSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1ccc(SCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000441227088 1022080260 /nfs/dbraw/zinc/08/02/60/1022080260.db2.gz LVXIBNYAYZLNTQ-MISYRCLQSA-N 2 1 348.556 3.579 20 0 EHADMP Cc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c(OC(C)C)c1 ZINC000425903843 1022162472 /nfs/dbraw/zinc/16/24/72/1022162472.db2.gz WWFKPIZZQMUQQO-UHFFFAOYSA-N 2 1 343.471 3.527 20 0 EHADMP c1ccc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968554 1022259386 /nfs/dbraw/zinc/25/93/86/1022259386.db2.gz RHRVUWXTCCJEFS-IHWFROFDSA-N 2 1 330.541 3.915 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)C[NH+](C)C ZINC000425936307 1022269014 /nfs/dbraw/zinc/26/90/14/1022269014.db2.gz MENBLFQDZGFTLV-RISCZKNCSA-N 2 1 331.287 3.994 20 0 EHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000517388138 1022298170 /nfs/dbraw/zinc/29/81/70/1022298170.db2.gz XNLRFHJURYYLMB-FXAWDEMLSA-N 2 1 346.478 3.851 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2[nH]c(=O)oc21 ZINC000894456540 1022308194 /nfs/dbraw/zinc/30/81/94/1022308194.db2.gz QKGMOWOGNIBVIU-UHFFFAOYSA-N 2 1 339.439 3.617 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321988 1033040168 /nfs/dbraw/zinc/04/01/68/1033040168.db2.gz MZPNVHPVTAACBM-HOCLYGCPSA-N 2 1 326.406 3.972 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321988 1033040185 /nfs/dbraw/zinc/04/01/85/1033040185.db2.gz MZPNVHPVTAACBM-HOCLYGCPSA-N 2 1 326.406 3.972 20 0 EHADMP Clc1ccc(Br)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262032396 1022339364 /nfs/dbraw/zinc/33/93/64/1022339364.db2.gz OFRRDBSDMSAPFO-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000302837658 1022358462 /nfs/dbraw/zinc/35/84/62/1022358462.db2.gz NXIIQUFDBJLOFD-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000302837658 1022358474 /nfs/dbraw/zinc/35/84/74/1022358474.db2.gz NXIIQUFDBJLOFD-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Br)cc1 ZINC000302837658 1022358487 /nfs/dbraw/zinc/35/84/87/1022358487.db2.gz NXIIQUFDBJLOFD-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Br)cc1 ZINC000302837658 1022358504 /nfs/dbraw/zinc/35/85/04/1022358504.db2.gz NXIIQUFDBJLOFD-INIZCTEOSA-N 2 1 325.294 3.755 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425953923 1022441257 /nfs/dbraw/zinc/44/12/57/1022441257.db2.gz XSWOFPPLVDVUEY-LSDHHAIUSA-N 2 1 331.529 3.891 20 0 EHADMP COc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000550116468 1022490931 /nfs/dbraw/zinc/49/09/31/1022490931.db2.gz PVTGBEOKXDJUNO-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP COc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000550116468 1022490937 /nfs/dbraw/zinc/49/09/37/1022490937.db2.gz PVTGBEOKXDJUNO-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP Cc1nc(-c2ccc([C@H](C)[NH2+]CCn3cc[nH+]c3C)cc2)cs1 ZINC000341610406 1022546758 /nfs/dbraw/zinc/54/67/58/1022546758.db2.gz ZEXOPCWEZABWID-ZDUSSCGKSA-N 2 1 326.469 3.974 20 0 EHADMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)c(Cl)c1 ZINC001167974899 1022553234 /nfs/dbraw/zinc/55/32/34/1022553234.db2.gz DQJOJXZCWCYLJI-GOOCMWNKSA-N 2 1 335.854 3.799 20 0 EHADMP Cc1cnccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167975443 1022620251 /nfs/dbraw/zinc/62/02/51/1022620251.db2.gz PIPTUKMQFNUSPH-SMLSOGCJSA-N 2 1 325.500 3.836 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000449686597 1033069636 /nfs/dbraw/zinc/06/96/36/1033069636.db2.gz ZIBVOHWKIBXKJQ-UZLBHIALSA-N 2 1 325.456 3.744 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000449686597 1033069651 /nfs/dbraw/zinc/06/96/51/1033069651.db2.gz ZIBVOHWKIBXKJQ-UZLBHIALSA-N 2 1 325.456 3.744 20 0 EHADMP CC1(C)C[N@H+]([C@@H]2CCCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836098 1022689882 /nfs/dbraw/zinc/68/98/82/1022689882.db2.gz OCQZGUDMOJPQGB-NHCUHLMSSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1[NH3+] ZINC000430946150 1022926138 /nfs/dbraw/zinc/92/61/38/1022926138.db2.gz ZORSUDJGKRKTDB-FOIQADDNSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000430949663 1022938924 /nfs/dbraw/zinc/93/89/24/1022938924.db2.gz OJQYKRGHQGWUFP-UWJYYQICSA-N 2 1 346.478 3.708 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000506341735 1022961676 /nfs/dbraw/zinc/96/16/76/1022961676.db2.gz QMXZUBRBXDXQEJ-UHFFFAOYSA-N 2 1 343.284 3.893 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430961516 1022980106 /nfs/dbraw/zinc/98/01/06/1022980106.db2.gz NZNLYRKEOAJLEW-JXXFODFXSA-N 2 1 337.467 3.669 20 0 EHADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441463376 1023000723 /nfs/dbraw/zinc/00/07/23/1023000723.db2.gz KKTYYYGJMGZFQQ-HXUWFJFHSA-N 2 1 330.516 3.880 20 0 EHADMP Fc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000063198123 1033101586 /nfs/dbraw/zinc/10/15/86/1033101586.db2.gz LXKDGQMTUVWXRT-INIZCTEOSA-N 2 1 341.268 3.552 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000165338535 1023070992 /nfs/dbraw/zinc/07/09/92/1023070992.db2.gz XCDUZQPTWZXXLW-HZPDHXFCSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441477953 1023116196 /nfs/dbraw/zinc/11/61/96/1023116196.db2.gz ZCKOYNANDFUUSM-HXUWFJFHSA-N 2 1 330.516 3.880 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427110281 1023223217 /nfs/dbraw/zinc/22/32/17/1023223217.db2.gz KTVWOOJVIYKDRM-UWJYYQICSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427110281 1023223228 /nfs/dbraw/zinc/22/32/28/1023223228.db2.gz KTVWOOJVIYKDRM-UWJYYQICSA-N 2 1 340.442 3.589 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684569207 1023422888 /nfs/dbraw/zinc/42/28/88/1023422888.db2.gz YUMHIYPWLJPARZ-XHSDSOJGSA-N 2 1 325.456 3.782 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565124 1023451689 /nfs/dbraw/zinc/45/16/89/1023451689.db2.gz VKMYSSCBDJMYRE-WWDZGPRUSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000092665376 1023477310 /nfs/dbraw/zinc/47/73/10/1023477310.db2.gz KFHAUTJITHVZIN-KDURUIRLSA-N 2 1 335.580 3.693 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000535811337 1023651001 /nfs/dbraw/zinc/65/10/01/1023651001.db2.gz HDOZIOVWEDWQQO-UHFFFAOYSA-N 2 1 344.478 3.768 20 0 EHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458278465 1023846653 /nfs/dbraw/zinc/84/66/53/1023846653.db2.gz IRZSRIYJJAGRAN-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458278465 1023846659 /nfs/dbraw/zinc/84/66/59/1023846659.db2.gz IRZSRIYJJAGRAN-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925136981 1024083552 /nfs/dbraw/zinc/08/35/52/1024083552.db2.gz SHUZYGACJJROKJ-JTDSTZFVSA-N 2 1 329.513 3.747 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925136981 1024083571 /nfs/dbraw/zinc/08/35/71/1024083571.db2.gz SHUZYGACJJROKJ-JTDSTZFVSA-N 2 1 329.513 3.747 20 0 EHADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005898 1024376831 /nfs/dbraw/zinc/37/68/31/1024376831.db2.gz KTMIFNRMNNCBHQ-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005898 1024376850 /nfs/dbraw/zinc/37/68/50/1024376850.db2.gz KTMIFNRMNNCBHQ-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000346133522 1024434324 /nfs/dbraw/zinc/43/43/24/1024434324.db2.gz MRAHQNVKJBHVDP-UHFFFAOYSA-N 2 1 348.450 3.694 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000246700361 1024489746 /nfs/dbraw/zinc/48/97/46/1024489746.db2.gz NCJAKHBSOYVBBM-ABSDTBQOSA-N 2 1 349.950 3.939 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000346223703 1024536011 /nfs/dbraw/zinc/53/60/11/1024536011.db2.gz PXTXDHJQZZLWNA-QGZVFWFLSA-N 2 1 336.414 3.704 20 0 EHADMP CCC[N@@H+](CCn1ccnc1C)Cc1ccccc1Br ZINC000346273821 1024564294 /nfs/dbraw/zinc/56/42/94/1024564294.db2.gz IFZIMGZLTMAGNC-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2ccc(F)nc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030375 1024578048 /nfs/dbraw/zinc/57/80/48/1024578048.db2.gz VJCPRAUHDTWKID-HZPDHXFCSA-N 2 1 327.447 3.752 20 0 EHADMP CCOc1ccc(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)o1 ZINC000892096127 1024658533 /nfs/dbraw/zinc/65/85/33/1024658533.db2.gz SDHHKRFAYYLZMY-UHFFFAOYSA-N 2 1 343.471 3.812 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCC4(COC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000895693759 1024729618 /nfs/dbraw/zinc/72/96/18/1024729618.db2.gz BTLBJUDNTSDSDR-TZIWHRDSSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCC4(COC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000895693759 1024729630 /nfs/dbraw/zinc/72/96/30/1024729630.db2.gz BTLBJUDNTSDSDR-TZIWHRDSSA-N 2 1 340.511 3.903 20 0 EHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000895739794 1024778283 /nfs/dbraw/zinc/77/82/83/1024778283.db2.gz JONARJKHQWBPIF-LSDHHAIUSA-N 2 1 329.326 3.500 20 0 EHADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000427827348 1024810530 /nfs/dbraw/zinc/81/05/30/1024810530.db2.gz QVCPQKYXNJPKEN-AEFFLSMTSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000427827348 1024810553 /nfs/dbraw/zinc/81/05/53/1024810553.db2.gz QVCPQKYXNJPKEN-AEFFLSMTSA-N 2 1 338.499 3.868 20 0 EHADMP [NH3+]C1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000435373711 1024839676 /nfs/dbraw/zinc/83/96/76/1024839676.db2.gz OFNNJIGBQJQFOB-UHFFFAOYSA-N 2 1 343.858 3.515 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1cccs1 ZINC000435376427 1024841660 /nfs/dbraw/zinc/84/16/60/1024841660.db2.gz ZROHRALCOBIMOY-WMLDXEAASA-N 2 1 346.496 3.505 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1cccs1 ZINC000435376427 1024841676 /nfs/dbraw/zinc/84/16/76/1024841676.db2.gz ZROHRALCOBIMOY-WMLDXEAASA-N 2 1 346.496 3.505 20 0 EHADMP CCCOc1c(Cl)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000435371359 1024857034 /nfs/dbraw/zinc/85/70/34/1024857034.db2.gz MIRUFQNJTCWYJP-UHFFFAOYSA-N 2 1 340.895 3.711 20 0 EHADMP CCCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000435371359 1024857040 /nfs/dbraw/zinc/85/70/40/1024857040.db2.gz MIRUFQNJTCWYJP-UHFFFAOYSA-N 2 1 340.895 3.711 20 0 EHADMP CSc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435383008 1024864280 /nfs/dbraw/zinc/86/42/80/1024864280.db2.gz GJCBPHNWGGYXSW-IBGZPJMESA-N 2 1 341.524 3.948 20 0 EHADMP CSc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435383008 1024864291 /nfs/dbraw/zinc/86/42/91/1024864291.db2.gz GJCBPHNWGGYXSW-IBGZPJMESA-N 2 1 341.524 3.948 20 0 EHADMP CCOc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435390887 1024877006 /nfs/dbraw/zinc/87/70/06/1024877006.db2.gz QQQBCJWZTRYDFC-OAHLLOKOSA-N 2 1 340.895 3.711 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@]23CCCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034204 1024906310 /nfs/dbraw/zinc/90/63/10/1024906310.db2.gz OMTLCYZPAFIVKQ-ZVXZJYCBSA-N 2 1 328.500 3.587 20 0 EHADMP COc1ccsc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426109 1024913936 /nfs/dbraw/zinc/91/39/36/1024913936.db2.gz GLZYNNNFNDLICS-KRWDZBQOSA-N 2 1 348.537 3.963 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000105442644 1024941891 /nfs/dbraw/zinc/94/18/91/1024941891.db2.gz WAVUBRHFXXSCQM-CQSZACIVSA-N 2 1 326.469 3.741 20 0 EHADMP C[C@@]1(Br)C[C@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000895932009 1024986682 /nfs/dbraw/zinc/98/66/82/1024986682.db2.gz INPFZMKELILFSW-GOEBONIOSA-N 2 1 329.326 3.500 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CCOCC1 ZINC000474465233 1025011324 /nfs/dbraw/zinc/01/13/24/1025011324.db2.gz CCKWUMUBBAUYGZ-ZWKOTPCHSA-N 2 1 330.516 3.966 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C)cc1OC ZINC000474474991 1025026738 /nfs/dbraw/zinc/02/67/38/1025026738.db2.gz SXAIUYJKCMQBTE-IAGOWNOFSA-N 2 1 336.520 3.904 20 0 EHADMP CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435618730 1025036779 /nfs/dbraw/zinc/03/67/79/1025036779.db2.gz ZYFBZACRKKNWNE-INIZCTEOSA-N 2 1 333.863 3.959 20 0 EHADMP CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435618730 1025036788 /nfs/dbraw/zinc/03/67/88/1025036788.db2.gz ZYFBZACRKKNWNE-INIZCTEOSA-N 2 1 333.863 3.959 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccccn4)[C@H]3C2)cc1 ZINC000428213325 1025051388 /nfs/dbraw/zinc/05/13/88/1025051388.db2.gz RNLBLRSFCREILG-ACIOBRDBSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cnc3ccccc32)cc1 ZINC000346787589 1025099916 /nfs/dbraw/zinc/09/99/16/1025099916.db2.gz ADWGRIPQNTXUCI-INIZCTEOSA-N 2 1 345.450 3.881 20 0 EHADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428242446 1025153633 /nfs/dbraw/zinc/15/36/33/1025153633.db2.gz SRWDSCYLZSUPLP-FNAHDJPLSA-N 2 1 344.543 3.674 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(O)[C@H](C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039505 1025239945 /nfs/dbraw/zinc/23/99/45/1025239945.db2.gz GDRXGQRKMQNDFP-YXTQBTIXSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@](C)(O)[C@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039505 1025239956 /nfs/dbraw/zinc/23/99/56/1025239956.db2.gz GDRXGQRKMQNDFP-YXTQBTIXSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(O)[C@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039505 1025239964 /nfs/dbraw/zinc/23/99/64/1025239964.db2.gz GDRXGQRKMQNDFP-YXTQBTIXSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)(O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040193 1025300016 /nfs/dbraw/zinc/30/00/16/1025300016.db2.gz KOVZRTBJBMXXQY-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040193 1025300030 /nfs/dbraw/zinc/30/00/30/1025300030.db2.gz KOVZRTBJBMXXQY-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040193 1025300043 /nfs/dbraw/zinc/30/00/43/1025300043.db2.gz KOVZRTBJBMXXQY-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040193 1025300057 /nfs/dbraw/zinc/30/00/57/1025300057.db2.gz KOVZRTBJBMXXQY-KOUHRCEDSA-N 2 1 330.516 3.665 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@H]1c1ccccc1 ZINC000453361360 1025368432 /nfs/dbraw/zinc/36/84/32/1025368432.db2.gz BAJZTDOOJQUPDE-OALUTQOASA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@H]1c1ccccc1 ZINC000453361360 1025368439 /nfs/dbraw/zinc/36/84/39/1025368439.db2.gz BAJZTDOOJQUPDE-OALUTQOASA-N 2 1 330.516 3.743 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CO)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168041117 1025368823 /nfs/dbraw/zinc/36/88/23/1025368823.db2.gz QUPYOTJRWVTLCG-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CO)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041117 1025368833 /nfs/dbraw/zinc/36/88/33/1025368833.db2.gz QUPYOTJRWVTLCG-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041117 1025368838 /nfs/dbraw/zinc/36/88/38/1025368838.db2.gz QUPYOTJRWVTLCG-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041117 1025368852 /nfs/dbraw/zinc/36/88/52/1025368852.db2.gz QUPYOTJRWVTLCG-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041117 1025368864 /nfs/dbraw/zinc/36/88/64/1025368864.db2.gz QUPYOTJRWVTLCG-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000346992108 1025394829 /nfs/dbraw/zinc/39/48/29/1025394829.db2.gz ACQZPAQCUYOGOY-IRXDYDNUSA-N 2 1 326.488 3.555 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442710318 1025436931 /nfs/dbraw/zinc/43/69/31/1025436931.db2.gz PTJRSSIJZBKQLB-IAGOWNOFSA-N 2 1 325.500 3.737 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767386 1025479359 /nfs/dbraw/zinc/47/93/59/1025479359.db2.gz YMSBLRMJCVKPMC-MSOLQXFVSA-N 2 1 346.478 3.708 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(OC)c1 ZINC000530217879 1025513023 /nfs/dbraw/zinc/51/30/23/1025513023.db2.gz IPHWQPLITJLXNC-RIFZZMRRSA-N 2 1 340.467 3.848 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cn1 ZINC000436289683 1025551509 /nfs/dbraw/zinc/55/15/09/1025551509.db2.gz NIIVMHFRNRTQTI-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCO1 ZINC001168127603 1025609754 /nfs/dbraw/zinc/60/97/54/1025609754.db2.gz HQDRBINNDFCYKJ-GOEBONIOSA-N 2 1 345.874 3.578 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000414883751 1025684625 /nfs/dbraw/zinc/68/46/25/1025684625.db2.gz NKMBWLZQVBPFOX-QESAQDPVSA-N 2 1 336.479 3.534 20 0 EHADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000414883753 1025684920 /nfs/dbraw/zinc/68/49/20/1025684920.db2.gz NKMBWLZQVBPFOX-WSWWRLHASA-N 2 1 336.479 3.534 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307150 1025803810 /nfs/dbraw/zinc/80/38/10/1025803810.db2.gz WTJLKHLHYOMBPL-LYAPFXNSSA-N 2 1 326.406 3.828 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307150 1025803827 /nfs/dbraw/zinc/80/38/27/1025803827.db2.gz WTJLKHLHYOMBPL-LYAPFXNSSA-N 2 1 326.406 3.828 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1C ZINC000281982487 1025845575 /nfs/dbraw/zinc/84/55/75/1025845575.db2.gz BZUZUJSMYDAKIS-QGZVFWFLSA-N 2 1 326.488 3.565 20 0 EHADMP CCCn1nccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657398051 1025924485 /nfs/dbraw/zinc/92/44/85/1025924485.db2.gz HWUVCWQPJRUQEH-WGMWDUQUSA-N 2 1 340.515 3.539 20 0 EHADMP CCCn1nccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657398051 1025924494 /nfs/dbraw/zinc/92/44/94/1025924494.db2.gz HWUVCWQPJRUQEH-WGMWDUQUSA-N 2 1 340.515 3.539 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CCC[NH+]2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051909 1025927311 /nfs/dbraw/zinc/92/73/11/1025927311.db2.gz JZHQPVWIBXXEBH-VTYHHJSWSA-N 2 1 343.559 3.846 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCO1 ZINC000648421861 1026049394 /nfs/dbraw/zinc/04/93/94/1026049394.db2.gz AYBMEGHAXASUIG-JRGCBEDISA-N 2 1 330.516 3.966 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)Cc1ccccc1 ZINC000474049017 1026063895 /nfs/dbraw/zinc/06/38/95/1026063895.db2.gz ZGYPZMBWFFRFSX-QHAWAJNXSA-N 2 1 330.516 3.693 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121977451 1026065859 /nfs/dbraw/zinc/06/58/59/1026065859.db2.gz PIGOMVZBENFOGM-INIZCTEOSA-N 2 1 336.495 3.626 20 0 EHADMP CC(C)n1ccnc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657415272 1026107678 /nfs/dbraw/zinc/10/76/78/1026107678.db2.gz HFEAHZIEYQXJSY-UYAOXDASSA-N 2 1 340.515 3.854 20 0 EHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000582448907 1026290619 /nfs/dbraw/zinc/29/06/19/1026290619.db2.gz AQRPKVMCVBNFSP-VGSWGCGISA-N 2 1 338.495 3.802 20 0 EHADMP C[C@@H]1CC(N2CC[C@H]([N@@H+](C)C3CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059650 1026384511 /nfs/dbraw/zinc/38/45/11/1026384511.db2.gz UXANWRXUTOWGJS-OPYAIIAOSA-N 2 1 341.543 3.597 20 0 EHADMP c1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccc1 ZINC000475219592 1026398141 /nfs/dbraw/zinc/39/81/41/1026398141.db2.gz KDVFQBQAVJKHCK-IBGZPJMESA-N 2 1 346.478 3.688 20 0 EHADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000475270110 1026432366 /nfs/dbraw/zinc/43/23/66/1026432366.db2.gz OUTJDHSRTLVKJN-SFHVURJKSA-N 2 1 349.453 3.986 20 0 EHADMP c1cc2c(cccc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC000475329432 1026480825 /nfs/dbraw/zinc/48/08/25/1026480825.db2.gz LTOCESPPNRGQBT-BGYRXZFFSA-N 2 1 331.463 3.732 20 0 EHADMP c1cc2c(cccc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC000475329432 1026480838 /nfs/dbraw/zinc/48/08/38/1026480838.db2.gz LTOCESPPNRGQBT-BGYRXZFFSA-N 2 1 331.463 3.732 20 0 EHADMP c1cc2c(cccc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC000475329432 1026480852 /nfs/dbraw/zinc/48/08/52/1026480852.db2.gz LTOCESPPNRGQBT-BGYRXZFFSA-N 2 1 331.463 3.732 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065146 1026628079 /nfs/dbraw/zinc/62/80/79/1026628079.db2.gz UDHGRSLLIRLVFV-NBMJBFSESA-N 2 1 348.531 3.957 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065146 1026628085 /nfs/dbraw/zinc/62/80/85/1026628085.db2.gz UDHGRSLLIRLVFV-NBMJBFSESA-N 2 1 348.531 3.957 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305620110 1026861672 /nfs/dbraw/zinc/86/16/72/1026861672.db2.gz HHPSLWAYMQLGDJ-UXHICEINSA-N 2 1 345.462 3.699 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305620110 1026861678 /nfs/dbraw/zinc/86/16/78/1026861678.db2.gz HHPSLWAYMQLGDJ-UXHICEINSA-N 2 1 345.462 3.699 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342770166 1026998139 /nfs/dbraw/zinc/99/81/39/1026998139.db2.gz WOZCRLPSEWUGKO-DOTOQJQBSA-N 2 1 330.520 3.517 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000342770166 1026998142 /nfs/dbraw/zinc/99/81/42/1026998142.db2.gz WOZCRLPSEWUGKO-DOTOQJQBSA-N 2 1 330.520 3.517 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845558 1027143199 /nfs/dbraw/zinc/14/31/99/1027143199.db2.gz SAJWWOAHHIMPDM-VLCRHTCISA-N 2 1 338.495 3.529 20 0 EHADMP CCOCCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272894967 1027165746 /nfs/dbraw/zinc/16/57/46/1027165746.db2.gz ZUIZDUPDYAZLSX-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000075713438 1027195884 /nfs/dbraw/zinc/19/58/84/1027195884.db2.gz SPAMWNSOHCZAGV-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000075713438 1027195895 /nfs/dbraw/zinc/19/58/95/1027195895.db2.gz SPAMWNSOHCZAGV-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000531709653 1027234059 /nfs/dbraw/zinc/23/40/59/1027234059.db2.gz KOELVVBIUJRVSU-CQSZACIVSA-N 2 1 337.471 3.865 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000531725430 1027273927 /nfs/dbraw/zinc/27/39/27/1027273927.db2.gz VMABSVZVCFDYDQ-ZIFCJYIRSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000531725430 1027273939 /nfs/dbraw/zinc/27/39/39/1027273939.db2.gz VMABSVZVCFDYDQ-ZIFCJYIRSA-N 2 1 336.545 3.926 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000273150855 1027285436 /nfs/dbraw/zinc/28/54/36/1027285436.db2.gz HQGVNGCWMBVJJN-MJGOQNOKSA-N 2 1 348.506 3.627 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453072439 1027287195 /nfs/dbraw/zinc/28/71/95/1027287195.db2.gz YAIRACACVPHROH-BHDDXSALSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000453056069 1027301587 /nfs/dbraw/zinc/30/15/87/1027301587.db2.gz FGRMSIULGBFVNE-MSOLQXFVSA-N 2 1 338.499 3.572 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cccnc3)[C@H]3CCC[C@H]32)cc1 ZINC000453078929 1027332331 /nfs/dbraw/zinc/33/23/31/1027332331.db2.gz KZJPQTNIFKZOLJ-BHIFYINESA-N 2 1 335.495 3.657 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453096639 1027361635 /nfs/dbraw/zinc/36/16/35/1027361635.db2.gz UHNUQUJLGFCLLX-INIZCTEOSA-N 2 1 326.488 3.612 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000453151289 1027421884 /nfs/dbraw/zinc/42/18/84/1027421884.db2.gz SZDIPSLKQBDRNM-FYKMYLNBSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000531818452 1027460291 /nfs/dbraw/zinc/46/02/91/1027460291.db2.gz IBTKUBDCAVXUMJ-UHFFFAOYSA-N 2 1 340.515 3.745 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319915 1027470352 /nfs/dbraw/zinc/47/03/52/1027470352.db2.gz AYNNGDJNAMJVQE-QLFBSQMISA-N 2 1 337.305 3.832 20 0 EHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000420372554 1027497893 /nfs/dbraw/zinc/49/78/93/1027497893.db2.gz YFNFJSGZWFBTDX-LJQANCHMSA-N 2 1 326.484 3.756 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H](C)n3ccnc32)C[N@@H+]1Cc1ccccc1 ZINC000453180266 1027498198 /nfs/dbraw/zinc/49/81/98/1027498198.db2.gz VDEYUENKCMCWID-LCLWPZTBSA-N 2 1 338.499 3.779 20 0 EHADMP Nc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000420382875 1027506203 /nfs/dbraw/zinc/50/62/03/1027506203.db2.gz YWMWUZMHRIONBB-IRLDBZIGSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000420382875 1027506217 /nfs/dbraw/zinc/50/62/17/1027506217.db2.gz YWMWUZMHRIONBB-IRLDBZIGSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000420382875 1027506226 /nfs/dbraw/zinc/50/62/26/1027506226.db2.gz YWMWUZMHRIONBB-IRLDBZIGSA-N 2 1 335.495 3.755 20 0 EHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414654389 1027717401 /nfs/dbraw/zinc/71/74/01/1027717401.db2.gz JDEFSHGAXQDGOH-MRXNPFEDSA-N 2 1 330.859 3.700 20 0 EHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000414654585 1027719078 /nfs/dbraw/zinc/71/90/78/1027719078.db2.gz CGDHTDYXZRNRJU-UHFFFAOYSA-N 2 1 348.922 3.618 20 0 EHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000414654585 1027719092 /nfs/dbraw/zinc/71/90/92/1027719092.db2.gz CGDHTDYXZRNRJU-UHFFFAOYSA-N 2 1 348.922 3.618 20 0 EHADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000342863323 1027733330 /nfs/dbraw/zinc/73/33/30/1027733330.db2.gz HXTYCHCJVLZRIH-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000342863323 1027733343 /nfs/dbraw/zinc/73/33/43/1027733343.db2.gz HXTYCHCJVLZRIH-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000342875219 1027821004 /nfs/dbraw/zinc/82/10/04/1027821004.db2.gz VIVMBZMUSPDALH-UHFFFAOYSA-N 2 1 335.495 3.878 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCCO1 ZINC000359867544 1027865143 /nfs/dbraw/zinc/86/51/43/1027865143.db2.gz JGRNAJQJPPAKJH-FWZVCBSNSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261831695 1027902988 /nfs/dbraw/zinc/90/29/88/1027902988.db2.gz JEMIQNRNSUURSM-JLTOFOAXSA-N 2 1 330.422 3.766 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422743454 1027912111 /nfs/dbraw/zinc/91/21/11/1027912111.db2.gz RJYRGZWXDSFGLJ-SGCGGLILSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422743454 1027912127 /nfs/dbraw/zinc/91/21/27/1027912127.db2.gz RJYRGZWXDSFGLJ-SGCGGLILSA-N 2 1 341.543 3.722 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc21 ZINC000422782177 1027936108 /nfs/dbraw/zinc/93/61/08/1027936108.db2.gz FXMLQIJCBVYNCJ-FGZHOGPDSA-N 3 1 335.495 3.907 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc21 ZINC000422782179 1027936290 /nfs/dbraw/zinc/93/62/90/1027936290.db2.gz FXMLQIJCBVYNCJ-YADHBBJMSA-N 3 1 335.495 3.907 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268774529 1027940753 /nfs/dbraw/zinc/94/07/53/1027940753.db2.gz GISHMDZYDCBAHI-VLCRHTCISA-N 2 1 338.495 3.529 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000657666414 1027945224 /nfs/dbraw/zinc/94/52/24/1027945224.db2.gz ZKYYEIPXHLONMU-UHFFFAOYSA-N 2 1 340.515 3.545 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000657666414 1027945232 /nfs/dbraw/zinc/94/52/32/1027945232.db2.gz ZKYYEIPXHLONMU-UHFFFAOYSA-N 2 1 340.515 3.545 20 0 EHADMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422829007 1027971024 /nfs/dbraw/zinc/97/10/24/1027971024.db2.gz UGMBXOYAQZLXAJ-LBPRGKRZSA-N 2 1 334.261 3.724 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1 ZINC001167626118 1027974150 /nfs/dbraw/zinc/97/41/50/1027974150.db2.gz ZHZRSSHVAMNCIH-MRXNPFEDSA-N 2 1 344.547 3.941 20 0 EHADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc21 ZINC000422837833 1027976769 /nfs/dbraw/zinc/97/67/69/1027976769.db2.gz NBKXIVYWPFRYJO-CDHQVMDDSA-N 2 1 341.524 3.695 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422904461 1028039863 /nfs/dbraw/zinc/03/98/63/1028039863.db2.gz QCPRVFGOSNREEI-JTQLQIEISA-N 2 1 346.887 3.963 20 0 EHADMP CC[N@H+](Cc1cn(-c2ccccc2)nc1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414715679 1028164379 /nfs/dbraw/zinc/16/43/79/1028164379.db2.gz NDOMSBAFWBTBDV-LJQANCHMSA-N 2 1 340.515 3.960 20 0 EHADMP CC[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414715679 1028164382 /nfs/dbraw/zinc/16/43/82/1028164382.db2.gz NDOMSBAFWBTBDV-LJQANCHMSA-N 2 1 340.515 3.960 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423093680 1028179004 /nfs/dbraw/zinc/17/90/04/1028179004.db2.gz IKJXRWPOYUSJCE-RKOGSIPDSA-N 2 1 341.268 3.564 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]1 ZINC000414716117 1028186192 /nfs/dbraw/zinc/18/61/92/1028186192.db2.gz ZGTULUIVKRESQU-UPJWGTAASA-N 2 1 347.450 3.729 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)ccc1OC(F)F ZINC000423174603 1028242900 /nfs/dbraw/zinc/24/29/00/1028242900.db2.gz BHTNBMDGKTVJHR-LBPRGKRZSA-N 2 1 328.403 3.609 20 0 EHADMP CC[C@@H]1CCC[C@H](C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000414720676 1028245781 /nfs/dbraw/zinc/24/57/81/1028245781.db2.gz CREZZGJYQWAZPE-CEXWTWQISA-N 2 1 344.547 3.581 20 0 EHADMP Clc1ccccc1C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423193361 1028261254 /nfs/dbraw/zinc/26/12/54/1028261254.db2.gz XGJHXGHDKSUBKU-HXUWFJFHSA-N 2 1 343.902 3.826 20 0 EHADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423194171 1028263976 /nfs/dbraw/zinc/26/39/76/1028263976.db2.gz WQSIQFIRJBLJGF-JUSBFGHESA-N 2 1 348.918 3.723 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000423219507 1028284608 /nfs/dbraw/zinc/28/46/08/1028284608.db2.gz TZZWISSTWVGZAQ-IXDOHACOSA-N 2 1 325.456 3.913 20 0 EHADMP C[C@@H]1CCCC[C@H]1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414725030 1028296347 /nfs/dbraw/zinc/29/63/47/1028296347.db2.gz UOEATQOFEWUVRF-IXDOHACOSA-N 2 1 333.545 3.914 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423262858 1028301230 /nfs/dbraw/zinc/30/12/30/1028301230.db2.gz NNOMIKKRIPUZFM-MAUKXSAKSA-N 2 1 334.508 3.584 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423262860 1028302613 /nfs/dbraw/zinc/30/26/13/1028302613.db2.gz NNOMIKKRIPUZFM-YJBOKZPZSA-N 2 1 334.508 3.584 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000423254104 1028314077 /nfs/dbraw/zinc/31/40/77/1028314077.db2.gz XDGVKGYZYZEGGJ-SSGKUCQKSA-N 2 1 349.522 3.719 20 0 EHADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000504024037 1028326709 /nfs/dbraw/zinc/32/67/09/1028326709.db2.gz IZHBUYIZVASNPM-HXUWFJFHSA-N 2 1 343.515 3.876 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423321604 1028349427 /nfs/dbraw/zinc/34/94/27/1028349427.db2.gz GOUVTWMBAVXHTR-UWJYYQICSA-N 2 1 340.515 3.838 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423321602 1028349974 /nfs/dbraw/zinc/34/99/74/1028349974.db2.gz GOUVTWMBAVXHTR-LAUBAEHRSA-N 2 1 340.515 3.838 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423293796 1028352293 /nfs/dbraw/zinc/35/22/93/1028352293.db2.gz ASUXNUGLVKMMFI-AAEUAGOBSA-N 2 1 329.282 3.626 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(CSC)CC2)cc1 ZINC000423345665 1028358408 /nfs/dbraw/zinc/35/84/08/1028358408.db2.gz YAOFWMNKPZQXFH-YHZLUUAOSA-N 2 1 348.556 3.652 20 0 EHADMP COc1cccc([C@H](C)[NH2+][C@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000423364075 1028391684 /nfs/dbraw/zinc/39/16/84/1028391684.db2.gz JJQVCZYQTIHCDO-ROOHIHILSA-N 2 1 346.421 3.770 20 0 EHADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423422061 1028415264 /nfs/dbraw/zinc/41/52/64/1028415264.db2.gz COPGCSROMFARRM-KWZQHJIPSA-N 2 1 338.295 3.593 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc2cc(OC)ccc2c1 ZINC000423435121 1028444758 /nfs/dbraw/zinc/44/47/58/1028444758.db2.gz SERJSATVHHKOIG-LEWJYISDSA-N 2 1 342.483 3.658 20 0 EHADMP CC(C)C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423503230 1028469632 /nfs/dbraw/zinc/46/96/32/1028469632.db2.gz FVTJIOXWPSXENQ-CBNMVNINSA-N 2 1 329.532 3.580 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423494378 1028479968 /nfs/dbraw/zinc/47/99/68/1028479968.db2.gz RYRZHZUXJAXLQJ-WMLDXEAASA-N 2 1 346.421 3.661 20 0 EHADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000071997647 1028493301 /nfs/dbraw/zinc/49/33/01/1028493301.db2.gz COSDYJRRZSFWKV-ZDUSSCGKSA-N 2 1 334.489 3.523 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414751177 1028519795 /nfs/dbraw/zinc/51/97/95/1028519795.db2.gz SECKXWDAYBMRLN-UKRRQHHQSA-N 2 1 345.314 3.566 20 0 EHADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195132675 1028585400 /nfs/dbraw/zinc/58/54/00/1028585400.db2.gz XWWUWBXZNOUXJS-IEBWSBKVSA-N 2 1 326.488 3.637 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000523851400 1028660260 /nfs/dbraw/zinc/66/02/60/1028660260.db2.gz OPXVWWLUCJXSPH-FUHWJXTLSA-N 2 1 333.520 3.586 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000245469909 1028723095 /nfs/dbraw/zinc/72/30/95/1028723095.db2.gz VRXFKEOSYCJMCZ-PBHICJAKSA-N 2 1 344.421 3.593 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247056734 1028735643 /nfs/dbraw/zinc/73/56/43/1028735643.db2.gz NOJRDPLQBWYZNX-IAGOWNOFSA-N 2 1 340.515 3.954 20 0 EHADMP C[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(C(F)(F)F)cc1 ZINC000414768995 1028736677 /nfs/dbraw/zinc/73/66/77/1028736677.db2.gz MVVIUNCPHMVZQT-CWRNSKLLSA-N 2 1 326.406 3.740 20 0 EHADMP CCC[N@H+](CCOC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197872 1028755379 /nfs/dbraw/zinc/75/53/79/1028755379.db2.gz FHBAKTQHKDFTOC-UHFFFAOYSA-N 2 1 348.535 3.589 20 0 EHADMP CCC[N@@H+](CCOC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197872 1028755394 /nfs/dbraw/zinc/75/53/94/1028755394.db2.gz FHBAKTQHKDFTOC-UHFFFAOYSA-N 2 1 348.535 3.589 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000421823242 1028807499 /nfs/dbraw/zinc/80/74/99/1028807499.db2.gz CMIYEGRHHMFNBA-DLBZAZTESA-N 2 1 336.545 3.897 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000421823242 1028807512 /nfs/dbraw/zinc/80/75/12/1028807512.db2.gz CMIYEGRHHMFNBA-DLBZAZTESA-N 2 1 336.545 3.897 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000513760484 1028838767 /nfs/dbraw/zinc/83/87/67/1028838767.db2.gz JNTFUWRAVVGDAD-MXEMCNAFSA-N 2 1 329.532 3.532 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cs1 ZINC000248039069 1028844159 /nfs/dbraw/zinc/84/41/59/1028844159.db2.gz SFIDJJLXVXTNGB-GXTWGEPZSA-N 2 1 335.542 3.795 20 0 EHADMP CC(C)n1cncc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000424157014 1028847442 /nfs/dbraw/zinc/84/74/42/1028847442.db2.gz QGHMALQFSDSEKZ-QZTJIDSGSA-N 2 1 340.515 3.710 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000421856693 1028850263 /nfs/dbraw/zinc/85/02/63/1028850263.db2.gz NWYDQLSMILZATF-NJYVYQBISA-N 2 1 342.527 3.714 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000248458093 1028911355 /nfs/dbraw/zinc/91/13/55/1028911355.db2.gz UKDWCLKRPFYRTH-WIYYLYMNSA-N 2 1 342.458 3.633 20 0 EHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248459178 1028912927 /nfs/dbraw/zinc/91/29/27/1028912927.db2.gz VMRWEYNKSLJAFG-FGZHOGPDSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccccc3F)n1)CC[NH2+]CC2 ZINC000424295995 1028938836 /nfs/dbraw/zinc/93/88/36/1028938836.db2.gz RVOBUUQXTFCYBW-AWEZNQCLSA-N 2 1 345.487 3.913 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)CC1 ZINC000356310918 1028940588 /nfs/dbraw/zinc/94/05/88/1028940588.db2.gz AUHVUKMZHLSSSX-HNNXBMFYSA-N 2 1 342.405 3.575 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@@H](C4CC4)C2)C3)cc1 ZINC000248761868 1028947435 /nfs/dbraw/zinc/94/74/35/1028947435.db2.gz DSTATJRUUSKUHK-QMCAAQAGSA-N 2 1 340.511 3.729 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000248827209 1028953172 /nfs/dbraw/zinc/95/31/72/1028953172.db2.gz GNZQKGLCOROMBY-HAGHYFMRSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Br ZINC000502998114 1028957260 /nfs/dbraw/zinc/95/72/60/1028957260.db2.gz QNOXMCPWXUNVMM-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780266 1028958961 /nfs/dbraw/zinc/95/89/61/1028958961.db2.gz LFJMXVACGWTAPZ-OLZOCXBDSA-N 2 1 330.369 3.666 20 0 EHADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000249125276 1028990567 /nfs/dbraw/zinc/99/05/67/1028990567.db2.gz UBUGZQXTSMDJLF-PMXSJFBMSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000249125276 1028990577 /nfs/dbraw/zinc/99/05/77/1028990577.db2.gz UBUGZQXTSMDJLF-PMXSJFBMSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000249125276 1028990596 /nfs/dbraw/zinc/99/05/96/1028990596.db2.gz UBUGZQXTSMDJLF-PMXSJFBMSA-N 2 1 328.500 3.540 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000503047417 1029010086 /nfs/dbraw/zinc/01/00/86/1029010086.db2.gz USGHTGNOYFDZFW-PMXSJFBMSA-N 2 1 330.516 3.517 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1OC(F)(F)F)CC[NH2+]CC2 ZINC000424387109 1029041942 /nfs/dbraw/zinc/04/19/42/1029041942.db2.gz YENWUTZLVBWRKY-CYBMUJFWSA-N 2 1 328.378 3.549 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)s2)cc1 ZINC000414785080 1029043415 /nfs/dbraw/zinc/04/34/15/1029043415.db2.gz SDLIPAQJEDKKEB-MSOLQXFVSA-N 2 1 341.524 3.940 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000245714112 1029114664 /nfs/dbraw/zinc/11/46/64/1029114664.db2.gz NTUZSJLMBIPCSE-DVWBAYGPSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC[C@H]21 ZINC000245729104 1029178476 /nfs/dbraw/zinc/17/84/76/1029178476.db2.gz DZZFJYKMNPZADH-MAUKXSAKSA-N 2 1 344.890 3.646 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000245743835 1029228223 /nfs/dbraw/zinc/22/82/23/1029228223.db2.gz XRKKVHKALVXTJR-FXAWDEMLSA-N 2 1 327.472 3.742 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000245743835 1029228237 /nfs/dbraw/zinc/22/82/37/1029228237.db2.gz XRKKVHKALVXTJR-FXAWDEMLSA-N 2 1 327.472 3.742 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414809311 1029283881 /nfs/dbraw/zinc/28/38/81/1029283881.db2.gz LZTUYCFMWRGHQJ-UHFFFAOYSA-N 2 1 349.482 3.541 20 0 EHADMP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000272068725 1029296874 /nfs/dbraw/zinc/29/68/74/1029296874.db2.gz UXNKZFDLFLUUFK-FCHUYYIVSA-N 2 1 344.543 3.877 20 0 EHADMP COC[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000544408548 1029395270 /nfs/dbraw/zinc/39/52/70/1029395270.db2.gz YOWWPDWAKNUONX-ZVDOUQERSA-N 2 1 332.532 3.592 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000272343153 1029426846 /nfs/dbraw/zinc/42/68/46/1029426846.db2.gz BYOOFACJCPZCDI-SFTDATJTSA-N 2 1 346.490 3.588 20 0 EHADMP C[NH2+]CCC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000262017459 1029550954 /nfs/dbraw/zinc/55/09/54/1029550954.db2.gz WSNGIZDNVVOZTR-UHFFFAOYSA-N 2 1 329.513 3.555 20 0 EHADMP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000262016315 1029551624 /nfs/dbraw/zinc/55/16/24/1029551624.db2.gz VSTMDXFOVYIBKU-INIZCTEOSA-N 2 1 341.268 3.725 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000548792200 1029618311 /nfs/dbraw/zinc/61/83/11/1029618311.db2.gz HFDNKODXWRBKIF-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000548792200 1029618316 /nfs/dbraw/zinc/61/83/16/1029618316.db2.gz HFDNKODXWRBKIF-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738775 1029715047 /nfs/dbraw/zinc/71/50/47/1029715047.db2.gz BOSRLPHUARBBQP-ACJLOTCBSA-N 2 1 349.316 3.900 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)ncn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696264 1029740827 /nfs/dbraw/zinc/74/08/27/1029740827.db2.gz HBUHTGHCDOMCBL-SJLPKXTDSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508696264 1029740835 /nfs/dbraw/zinc/74/08/35/1029740835.db2.gz HBUHTGHCDOMCBL-SJLPKXTDSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696264 1029740844 /nfs/dbraw/zinc/74/08/44/1029740844.db2.gz HBUHTGHCDOMCBL-SJLPKXTDSA-N 2 1 334.467 3.896 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000583434261 1029828447 /nfs/dbraw/zinc/82/84/47/1029828447.db2.gz FZBOOHMYZXBTAF-LJQANCHMSA-N 2 1 335.580 3.695 20 0 EHADMP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093274833 1029845804 /nfs/dbraw/zinc/84/58/04/1029845804.db2.gz YDNGDJRSFMNSNP-HNNXBMFYSA-N 2 1 347.528 3.893 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@H](C)C1 ZINC000481737678 1029893838 /nfs/dbraw/zinc/89/38/38/1029893838.db2.gz PEZOOOBTUFKKKM-CTNGQTDRSA-N 2 1 346.559 3.999 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCC2CCOCC2)C3)cc1 ZINC000453226211 1029941599 /nfs/dbraw/zinc/94/15/99/1029941599.db2.gz FKUNDRBNJAPCEP-KOUNCHBCSA-N 2 1 342.527 3.978 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000650705382 1029971733 /nfs/dbraw/zinc/97/17/33/1029971733.db2.gz FSLCRNOWGAKOOY-XNJGSVPQSA-N 2 1 343.298 3.712 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000453254744 1029987157 /nfs/dbraw/zinc/98/71/57/1029987157.db2.gz RIAATAIHKKWWSR-UZKOGDIHSA-N 2 1 344.543 3.833 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707579 1030001138 /nfs/dbraw/zinc/00/11/38/1030001138.db2.gz IWKIAUPPDZNAMP-UHTWSYAYSA-N 2 1 349.327 3.773 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707579 1030001159 /nfs/dbraw/zinc/00/11/59/1030001159.db2.gz IWKIAUPPDZNAMP-UHTWSYAYSA-N 2 1 349.327 3.773 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707654 1030004608 /nfs/dbraw/zinc/00/46/08/1030004608.db2.gz KHDZMSUYXQFBAT-WDYCEAGBSA-N 2 1 336.907 3.675 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000650708022 1030007284 /nfs/dbraw/zinc/00/72/84/1030007284.db2.gz RTBSOQVFWWQFCK-SRCQZFHVSA-N 2 1 343.298 3.712 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000481823825 1030017820 /nfs/dbraw/zinc/01/78/20/1030017820.db2.gz KWVNKSPGQKFKTO-SQNIBIBYSA-N 2 1 347.503 3.556 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000481823825 1030017834 /nfs/dbraw/zinc/01/78/34/1030017834.db2.gz KWVNKSPGQKFKTO-SQNIBIBYSA-N 2 1 347.503 3.556 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000453288923 1030032181 /nfs/dbraw/zinc/03/21/81/1030032181.db2.gz LUJXQCFJIAFQJD-WQGACYEGSA-N 2 1 331.287 3.691 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000453288925 1030033673 /nfs/dbraw/zinc/03/36/73/1030033673.db2.gz LUJXQCFJIAFQJD-XHBSWPGZSA-N 2 1 331.287 3.691 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525694116 1030039029 /nfs/dbraw/zinc/03/90/29/1030039029.db2.gz VYHNJMFNSKEJAJ-KURKYZTESA-N 2 1 335.561 3.595 20 0 EHADMP CN(C)c1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781594 1030115678 /nfs/dbraw/zinc/11/56/78/1030115678.db2.gz YNVXVPKLDKKVRL-FQEVSTJZSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781594 1030115684 /nfs/dbraw/zinc/11/56/84/1030115684.db2.gz YNVXVPKLDKKVRL-FQEVSTJZSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781594 1030115688 /nfs/dbraw/zinc/11/56/88/1030115688.db2.gz YNVXVPKLDKKVRL-FQEVSTJZSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781594 1030115690 /nfs/dbraw/zinc/11/56/90/1030115690.db2.gz YNVXVPKLDKKVRL-FQEVSTJZSA-N 2 1 337.511 3.707 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000481975446 1030143355 /nfs/dbraw/zinc/14/33/55/1030143355.db2.gz SFJCLAAGSIIZKL-KCZVDYSFSA-N 2 1 343.559 3.607 20 0 EHADMP Fc1cc(F)cc(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453381863 1030162925 /nfs/dbraw/zinc/16/29/25/1030162925.db2.gz RJDPYJBYSXJUQO-UXHICEINSA-N 2 1 334.454 3.846 20 0 EHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453387021 1030168300 /nfs/dbraw/zinc/16/83/00/1030168300.db2.gz AQWMDGGTVJKJEH-UXHICEINSA-N 2 1 344.499 3.632 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000650723333 1030210518 /nfs/dbraw/zinc/21/05/18/1030210518.db2.gz LTPFDTSKAVBTNM-QFUCXCTJSA-N 2 1 340.467 3.807 20 0 EHADMP CCC(C)(C)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453405588 1030214511 /nfs/dbraw/zinc/21/45/11/1030214511.db2.gz JJSCEOVUSFBYKJ-OWZKRDHZSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1-c1ccc(F)cc1 ZINC000453405902 1030217253 /nfs/dbraw/zinc/21/72/53/1030217253.db2.gz QSFSASONUPEKNY-OAHLLOKOSA-N 2 1 344.478 3.845 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000453406908 1030218191 /nfs/dbraw/zinc/21/81/91/1030218191.db2.gz DASSPAFTRYGPKW-DNVJHFABSA-N 2 1 349.522 3.965 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000278340066 1030258010 /nfs/dbraw/zinc/25/80/10/1030258010.db2.gz GTHPKVNCFCSFHO-BEFAXECRSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000278340066 1030258021 /nfs/dbraw/zinc/25/80/21/1030258021.db2.gz GTHPKVNCFCSFHO-BEFAXECRSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000278340073 1030258663 /nfs/dbraw/zinc/25/86/63/1030258663.db2.gz GTHPKVNCFCSFHO-HNAYVOBHSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000278340073 1030258674 /nfs/dbraw/zinc/25/86/74/1030258674.db2.gz GTHPKVNCFCSFHO-HNAYVOBHSA-N 2 1 327.447 3.529 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000447557436 1030299434 /nfs/dbraw/zinc/29/94/34/1030299434.db2.gz LULMWFACBJIHAL-GCJKJVERSA-N 2 1 349.522 3.961 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C1CC1)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000925200817 1030468389 /nfs/dbraw/zinc/46/83/89/1030468389.db2.gz PUSBGVZOCZAIIC-UWJYYQICSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000482488210 1030470678 /nfs/dbraw/zinc/47/06/78/1030470678.db2.gz PYBMAVKUFGODDK-YLJYHZDGSA-N 2 1 329.532 3.837 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(F)nc2C)CC1 ZINC000278389273 1030549238 /nfs/dbraw/zinc/54/92/38/1030549238.db2.gz MJBGYXHOEKABFM-UHFFFAOYSA-N 2 1 327.447 3.592 20 0 EHADMP CC(C)COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000482646149 1030605578 /nfs/dbraw/zinc/60/55/78/1030605578.db2.gz ZJRBWVOJZGGVED-PXNSSMCTSA-N 2 1 332.532 3.929 20 0 EHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000093404874 1030608944 /nfs/dbraw/zinc/60/89/44/1030608944.db2.gz XQSZWYLUSLSYOH-INIZCTEOSA-N 2 1 331.508 3.509 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000447938324 1030610814 /nfs/dbraw/zinc/61/08/14/1030610814.db2.gz ZUKKAJZFEYTYHW-GOSISDBHSA-N 2 1 326.488 3.617 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000093455916 1030616130 /nfs/dbraw/zinc/61/61/30/1030616130.db2.gz PWGORQAMAQBYKI-UHFFFAOYSA-N 2 1 327.516 3.593 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650753203 1030693985 /nfs/dbraw/zinc/69/39/85/1030693985.db2.gz ITHOBPJTQITYAP-CQSZACIVSA-N 3 1 338.430 3.629 20 0 EHADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806580 1030810377 /nfs/dbraw/zinc/81/03/77/1030810377.db2.gz AOYKKUIBQGPKIL-LSDHHAIUSA-N 2 1 331.460 3.654 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172204 1030845230 /nfs/dbraw/zinc/84/52/30/1030845230.db2.gz HQHCUGDTPGGZJO-RDTXWAMCSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172204 1030845246 /nfs/dbraw/zinc/84/52/46/1030845246.db2.gz HQHCUGDTPGGZJO-RDTXWAMCSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000668172204 1030845260 /nfs/dbraw/zinc/84/52/60/1030845260.db2.gz HQHCUGDTPGGZJO-RDTXWAMCSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000668172204 1030845276 /nfs/dbraw/zinc/84/52/76/1030845276.db2.gz HQHCUGDTPGGZJO-RDTXWAMCSA-N 2 1 329.513 3.891 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000482977631 1030876272 /nfs/dbraw/zinc/87/62/72/1030876272.db2.gz GBZQBIMQROWWIG-MRUHUIDDSA-N 2 1 346.490 3.634 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000537692870 1030991626 /nfs/dbraw/zinc/99/16/26/1030991626.db2.gz NJDFHXOHXCXETD-HMXCVIKNSA-N 2 1 346.515 3.549 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000537692870 1030991641 /nfs/dbraw/zinc/99/16/41/1030991641.db2.gz NJDFHXOHXCXETD-HMXCVIKNSA-N 2 1 346.515 3.549 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000551087707 1031030295 /nfs/dbraw/zinc/03/02/95/1031030295.db2.gz YIQFCTFWVLHRJN-QCFAMHMHSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000476999645 1031165409 /nfs/dbraw/zinc/16/54/09/1031165409.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000476999645 1031165424 /nfs/dbraw/zinc/16/54/24/1031165424.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000476999645 1031165434 /nfs/dbraw/zinc/16/54/34/1031165434.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000476999645 1031165449 /nfs/dbraw/zinc/16/54/49/1031165449.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000476999645 1031165458 /nfs/dbraw/zinc/16/54/58/1031165458.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000476999645 1031165471 /nfs/dbraw/zinc/16/54/71/1031165471.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000476999645 1031165479 /nfs/dbraw/zinc/16/54/79/1031165479.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000476999645 1031165497 /nfs/dbraw/zinc/16/54/97/1031165497.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000476999645 1031165504 /nfs/dbraw/zinc/16/55/04/1031165504.db2.gz WLSDJTQXHITEJT-PZJWPPBQSA-N 2 1 335.580 3.837 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527717429 1031175938 /nfs/dbraw/zinc/17/59/38/1031175938.db2.gz GFIANOIIPSLKLI-LLVKDONJSA-N 2 1 347.247 3.549 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527717433 1031176573 /nfs/dbraw/zinc/17/65/73/1031176573.db2.gz GFIANOIIPSLKLI-NSHDSACASA-N 2 1 347.247 3.549 20 0 EHADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000568277548 1031301397 /nfs/dbraw/zinc/30/13/97/1031301397.db2.gz YVPQUBVCVVYGGE-SESVDKBCSA-N 2 1 329.532 3.532 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CC34CC4)CC2)cs1 ZINC000527859167 1031337025 /nfs/dbraw/zinc/33/70/25/1031337025.db2.gz DCPPQPQVILQSNB-WMLDXEAASA-N 2 1 333.545 3.696 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838231 1031430826 /nfs/dbraw/zinc/43/08/26/1031430826.db2.gz DBJFYCBOSOEZAB-STQMWFEESA-N 2 1 328.909 3.553 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000343573657 1031448468 /nfs/dbraw/zinc/44/84/68/1031448468.db2.gz ZUFJGFDJWGMEEZ-UHFFFAOYSA-N 2 1 344.528 3.759 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000564532677 1031468563 /nfs/dbraw/zinc/46/85/63/1031468563.db2.gz IQIRDLKLSRLHPQ-NTCAYCPXSA-N 2 1 338.442 3.965 20 0 EHADMP CCC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC000527933856 1031495196 /nfs/dbraw/zinc/49/51/96/1031495196.db2.gz SIRNMPUCSSNDHY-PLACYPQZSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000527992516 1031551767 /nfs/dbraw/zinc/55/17/67/1031551767.db2.gz DDYQPEPRADGUMD-YVWKXTFCSA-N 2 1 329.463 3.620 20 0 EHADMP COc1cc2ccc([C@@H](C)[NH2+]C3CC[NH+](C)CC3)cc2cc1OC ZINC000657822756 1031562822 /nfs/dbraw/zinc/56/28/22/1031562822.db2.gz ASBMMSMYHIWWHM-CQSZACIVSA-N 2 1 328.456 3.602 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000177583288 1031578576 /nfs/dbraw/zinc/57/85/76/1031578576.db2.gz KJZCVXHEPFDWEJ-UHFFFAOYSA-N 2 1 342.487 3.865 20 0 EHADMP COCc1cccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000179237053 1031760928 /nfs/dbraw/zinc/76/09/28/1031760928.db2.gz BDANSHSKGJDYCF-UHFFFAOYSA-N 2 1 338.495 3.929 20 0 EHADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000278670530 1031908904 /nfs/dbraw/zinc/90/89/04/1031908904.db2.gz JDLDQJOURHDBRJ-OAHLLOKOSA-N 2 1 344.455 3.757 20 0 EHADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000278670530 1031908921 /nfs/dbraw/zinc/90/89/21/1031908921.db2.gz JDLDQJOURHDBRJ-OAHLLOKOSA-N 2 1 344.455 3.757 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1OC ZINC000685470322 1033365082 /nfs/dbraw/zinc/36/50/82/1033365082.db2.gz FRWLNWGJAWQMCR-BQFCYCMXSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000685470322 1033365091 /nfs/dbraw/zinc/36/50/91/1033365091.db2.gz FRWLNWGJAWQMCR-BQFCYCMXSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000685470322 1033365102 /nfs/dbraw/zinc/36/51/02/1033365102.db2.gz FRWLNWGJAWQMCR-BQFCYCMXSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000685470322 1033365112 /nfs/dbraw/zinc/36/51/12/1033365112.db2.gz FRWLNWGJAWQMCR-BQFCYCMXSA-N 2 1 334.504 3.645 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657902036 1033447272 /nfs/dbraw/zinc/44/72/72/1033447272.db2.gz ZQFKMDXQIWTKNH-VWEINGBSSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657902036 1033447281 /nfs/dbraw/zinc/44/72/81/1033447281.db2.gz ZQFKMDXQIWTKNH-VWEINGBSSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533368 1033508853 /nfs/dbraw/zinc/50/88/53/1033508853.db2.gz FBZPOXOCHAAWDI-CJNGLKHVSA-N 2 1 325.294 3.832 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598957470 1033591400 /nfs/dbraw/zinc/59/14/00/1033591400.db2.gz UPRZFSJQCYVLFQ-AWEZNQCLSA-N 2 1 338.517 3.525 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598957470 1033591415 /nfs/dbraw/zinc/59/14/15/1033591415.db2.gz UPRZFSJQCYVLFQ-AWEZNQCLSA-N 2 1 338.517 3.525 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598980038 1033628742 /nfs/dbraw/zinc/62/87/42/1033628742.db2.gz ALSMJSJBWQHWMC-CQSZACIVSA-N 2 1 338.517 3.525 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000108429006 1033814567 /nfs/dbraw/zinc/81/45/67/1033814567.db2.gz HAVJXAFKFZRYAV-LBPRGKRZSA-N 2 1 341.282 3.701 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550680012 1033853250 /nfs/dbraw/zinc/85/32/50/1033853250.db2.gz GITNOROLUWKNCK-LNRXMEIDSA-N 2 1 336.479 3.942 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550680012 1033853255 /nfs/dbraw/zinc/85/32/55/1033853255.db2.gz GITNOROLUWKNCK-LNRXMEIDSA-N 2 1 336.479 3.942 20 0 EHADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228524 1034088446 /nfs/dbraw/zinc/08/84/46/1034088446.db2.gz JJUMIDJUEUCRMQ-JCYILVPMSA-N 2 1 346.519 3.655 20 0 EHADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228524 1034088462 /nfs/dbraw/zinc/08/84/62/1034088462.db2.gz JJUMIDJUEUCRMQ-JCYILVPMSA-N 2 1 346.519 3.655 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001168328176 1034183242 /nfs/dbraw/zinc/18/32/42/1034183242.db2.gz YRFOTBSYIHZSJO-CTWPCTMYSA-N 2 1 336.907 3.760 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000658318422 1034194205 /nfs/dbraw/zinc/19/42/05/1034194205.db2.gz PZMQPPCJGGZGTQ-UYAOXDASSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@]1(C)CCCO1 ZINC000658318373 1034194303 /nfs/dbraw/zinc/19/43/03/1034194303.db2.gz PJNBCGQNOYQFFL-CEWLAPEOSA-N 2 1 342.527 3.836 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170931 1034366713 /nfs/dbraw/zinc/36/67/13/1034366713.db2.gz ADXULIGGTIGIEU-YADHBBJMSA-N 3 1 337.511 3.673 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170931 1034366728 /nfs/dbraw/zinc/36/67/28/1034366728.db2.gz ADXULIGGTIGIEU-YADHBBJMSA-N 3 1 337.511 3.673 20 0 EHADMP CC(C)Oc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340184589 1034439226 /nfs/dbraw/zinc/43/92/26/1034439226.db2.gz FYXUECBSOKAUQX-UXHICEINSA-N 2 1 339.483 3.794 20 0 EHADMP CC(C)Oc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340184589 1034439229 /nfs/dbraw/zinc/43/92/29/1034439229.db2.gz FYXUECBSOKAUQX-UXHICEINSA-N 2 1 339.483 3.794 20 0 EHADMP CSC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000597229889 1034611223 /nfs/dbraw/zinc/61/12/23/1034611223.db2.gz KRLFMPXXGFAAEV-GOSISDBHSA-N 2 1 330.541 3.774 20 0 EHADMP Cc1cc(C)n(-c2ccc(CN3CCC4(CCC[N@@H+]4C)CC3)cc2)n1 ZINC000375818719 1034625541 /nfs/dbraw/zinc/62/55/41/1034625541.db2.gz WXDZTXPIZZMUPT-UHFFFAOYSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC4(CCC[N@H+]4C)CC3)cc2)n1 ZINC000375818719 1034625546 /nfs/dbraw/zinc/62/55/46/1034625546.db2.gz WXDZTXPIZZMUPT-UHFFFAOYSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)cc2)n1 ZINC000375818719 1034625553 /nfs/dbraw/zinc/62/55/53/1034625553.db2.gz WXDZTXPIZZMUPT-UHFFFAOYSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375861960 1034758318 /nfs/dbraw/zinc/75/83/18/1034758318.db2.gz PWPROIOBFVWUCI-YXIAPDDASA-N 2 1 342.527 3.925 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000531139968 1034995142 /nfs/dbraw/zinc/99/51/42/1034995142.db2.gz MFAYZWQJSGSFKP-ZWKOTPCHSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000531139968 1034995150 /nfs/dbraw/zinc/99/51/50/1034995150.db2.gz MFAYZWQJSGSFKP-ZWKOTPCHSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000531139968 1034995158 /nfs/dbraw/zinc/99/51/58/1034995158.db2.gz MFAYZWQJSGSFKP-ZWKOTPCHSA-N 2 1 334.504 3.659 20 0 EHADMP Cc1ccc(OCCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000472447133 1035104579 /nfs/dbraw/zinc/10/45/79/1035104579.db2.gz BPBOEFNQITXESY-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472447133 1035104586 /nfs/dbraw/zinc/10/45/86/1035104586.db2.gz BPBOEFNQITXESY-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472447133 1035104591 /nfs/dbraw/zinc/10/45/91/1035104591.db2.gz BPBOEFNQITXESY-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000472476065 1035326001 /nfs/dbraw/zinc/32/60/01/1035326001.db2.gz HYFHNXQUAIAJNO-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000472476065 1035326005 /nfs/dbraw/zinc/32/60/05/1035326005.db2.gz HYFHNXQUAIAJNO-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000472476065 1035326010 /nfs/dbraw/zinc/32/60/10/1035326010.db2.gz HYFHNXQUAIAJNO-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000923781702 1035364146 /nfs/dbraw/zinc/36/41/46/1035364146.db2.gz CAYWLZNKBIBOSY-SFHVURJKSA-N 2 1 340.471 3.878 20 0 EHADMP CCCOc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000571460518 1035499470 /nfs/dbraw/zinc/49/94/70/1035499470.db2.gz UPPZBLOVROSWOV-OAHLLOKOSA-N 2 1 331.460 3.501 20 0 EHADMP Clc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846801 1035514265 /nfs/dbraw/zinc/51/42/65/1035514265.db2.gz XYYBXXMAHIYJMB-NXEZZACHSA-N 2 1 349.725 3.880 20 0 EHADMP Clc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846801 1035514273 /nfs/dbraw/zinc/51/42/73/1035514273.db2.gz XYYBXXMAHIYJMB-NXEZZACHSA-N 2 1 349.725 3.880 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000571570290 1035539092 /nfs/dbraw/zinc/53/90/92/1035539092.db2.gz SUYGBQRBKUDGGE-INIZCTEOSA-N 2 1 333.907 3.958 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000571570290 1035539101 /nfs/dbraw/zinc/53/91/01/1035539101.db2.gz SUYGBQRBKUDGGE-INIZCTEOSA-N 2 1 333.907 3.958 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000571570290 1035539112 /nfs/dbraw/zinc/53/91/12/1035539112.db2.gz SUYGBQRBKUDGGE-INIZCTEOSA-N 2 1 333.907 3.958 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)[C@@H]3C[C@@H]3C)CC2)cs1 ZINC000414113049 1035571781 /nfs/dbraw/zinc/57/17/81/1035571781.db2.gz KAVKDKOUCLUNAW-BMGDILEWSA-N 2 1 335.561 3.942 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)[nH+]1 ZINC000414128078 1035669802 /nfs/dbraw/zinc/66/98/02/1035669802.db2.gz SWQDHQZVWSSKPQ-QZTJIDSGSA-N 2 1 345.531 3.931 20 0 EHADMP c1[nH+]cn2cc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc12 ZINC000414145952 1035764262 /nfs/dbraw/zinc/76/42/62/1035764262.db2.gz BMRKDDTZNQQLJV-WKCHPHFGSA-N 3 1 346.478 3.620 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000414169005 1035865942 /nfs/dbraw/zinc/86/59/42/1035865942.db2.gz ASJSJZQRMMQJTL-OXQOHEQNSA-N 2 1 327.447 3.632 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169873 1035867353 /nfs/dbraw/zinc/86/73/53/1035867353.db2.gz BQRISIYQFUHEOA-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120245 1036004469 /nfs/dbraw/zinc/00/44/69/1036004469.db2.gz NPGQHGFVZHACQB-GBESFXJTSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120245 1036004487 /nfs/dbraw/zinc/00/44/87/1036004487.db2.gz NPGQHGFVZHACQB-GBESFXJTSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206538 1036310965 /nfs/dbraw/zinc/31/09/65/1036310965.db2.gz RAPHPLFIEWANFE-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206538 1036310981 /nfs/dbraw/zinc/31/09/81/1036310981.db2.gz RAPHPLFIEWANFE-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206538 1036310998 /nfs/dbraw/zinc/31/09/98/1036310998.db2.gz RAPHPLFIEWANFE-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CC2CCCC2)cc1 ZINC000191060687 1036331889 /nfs/dbraw/zinc/33/18/89/1036331889.db2.gz WLYHQDGKPWUSOW-YWZLYKJASA-N 2 1 327.472 3.773 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cn1 ZINC000414280116 1036436701 /nfs/dbraw/zinc/43/67/01/1036436701.db2.gz CBUACPMBESKZBW-UHFFFAOYSA-N 2 1 338.499 3.561 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000192069003 1036462626 /nfs/dbraw/zinc/46/26/26/1036462626.db2.gz WYXTWFYBVIMRGR-UHFFFAOYSA-N 2 1 328.847 3.805 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1CN(C)Cc1cc(Cl)cn1C ZINC000192069003 1036462639 /nfs/dbraw/zinc/46/26/39/1036462639.db2.gz WYXTWFYBVIMRGR-UHFFFAOYSA-N 2 1 328.847 3.805 20 0 EHADMP c1ccc2c(c1)C=C(C[NH2+]CCC[N@H+]1CCc3ccccc3C1)CO2 ZINC000102420651 1036463899 /nfs/dbraw/zinc/46/38/99/1036463899.db2.gz UGTXOQPNUGXRGG-UHFFFAOYSA-N 2 1 334.463 3.500 20 0 EHADMP c1nc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000589646768 1036576931 /nfs/dbraw/zinc/57/69/31/1036576931.db2.gz NCHOTRXMRPUYIP-IBGZPJMESA-N 2 1 334.467 3.565 20 0 EHADMP c1nc2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000589646768 1036576942 /nfs/dbraw/zinc/57/69/42/1036576942.db2.gz NCHOTRXMRPUYIP-IBGZPJMESA-N 2 1 334.467 3.565 20 0 EHADMP c1nc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000589646768 1036576948 /nfs/dbraw/zinc/57/69/48/1036576948.db2.gz NCHOTRXMRPUYIP-IBGZPJMESA-N 2 1 334.467 3.565 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)c1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414323331 1036679373 /nfs/dbraw/zinc/67/93/73/1036679373.db2.gz AFVHJFNHIORCMQ-AZUAARDMSA-N 2 1 337.511 3.859 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCCCC4)C3)C2)cc1 ZINC000310883611 1036712888 /nfs/dbraw/zinc/71/28/88/1036712888.db2.gz AAAMJMSPHYMEBJ-LEWJYISDSA-N 2 1 342.527 3.980 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000472588755 1036715412 /nfs/dbraw/zinc/71/54/12/1036715412.db2.gz GGBMXGSEIRFSMD-VQTJNVASSA-N 2 1 330.516 3.824 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC000472588755 1036715433 /nfs/dbraw/zinc/71/54/33/1036715433.db2.gz GGBMXGSEIRFSMD-VQTJNVASSA-N 2 1 330.516 3.824 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000653573688 1036737766 /nfs/dbraw/zinc/73/77/66/1036737766.db2.gz JTSDGIWYGKJKND-UHFFFAOYSA-N 2 1 336.277 3.640 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000414344606 1036801685 /nfs/dbraw/zinc/80/16/85/1036801685.db2.gz ZMEWWRZBHSJJPO-ILWGZMRPSA-N 2 1 349.522 3.859 20 0 EHADMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000177291189 1036806264 /nfs/dbraw/zinc/80/62/64/1036806264.db2.gz HHHHJZXDHJGHRA-ICSRJNTNSA-N 2 1 338.495 3.910 20 0 EHADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846452 1036894615 /nfs/dbraw/zinc/89/46/15/1036894615.db2.gz JNNSKMYJIMEPNG-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846452 1036894630 /nfs/dbraw/zinc/89/46/30/1036894630.db2.gz JNNSKMYJIMEPNG-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846452 1036894638 /nfs/dbraw/zinc/89/46/38/1036894638.db2.gz JNNSKMYJIMEPNG-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000311074222 1036953454 /nfs/dbraw/zinc/95/34/54/1036953454.db2.gz ZTLFZXGQXIZWFQ-LEWJYISDSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000311074222 1036953460 /nfs/dbraw/zinc/95/34/60/1036953460.db2.gz ZTLFZXGQXIZWFQ-LEWJYISDSA-N 2 1 336.479 3.982 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000542014635 1036980854 /nfs/dbraw/zinc/98/08/54/1036980854.db2.gz DSABVGVFSFFNIB-FQEVSTJZSA-N 2 1 346.515 3.735 20 0 EHADMP CC(C)n1ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000178390084 1037033679 /nfs/dbraw/zinc/03/36/79/1037033679.db2.gz FRWILVXMIGVIAL-SFHVURJKSA-N 2 1 332.536 3.941 20 0 EHADMP CC(C)n1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000178390084 1037033696 /nfs/dbraw/zinc/03/36/96/1037033696.db2.gz FRWILVXMIGVIAL-SFHVURJKSA-N 2 1 332.536 3.941 20 0 EHADMP CC(C)n1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000178390084 1037033715 /nfs/dbraw/zinc/03/37/15/1037033715.db2.gz FRWILVXMIGVIAL-SFHVURJKSA-N 2 1 332.536 3.941 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280019 1037238407 /nfs/dbraw/zinc/23/84/07/1037238407.db2.gz GKFVSBAWHCLKHA-IEBWSBKVSA-N 2 1 336.907 3.760 20 0 EHADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000532442383 1037292904 /nfs/dbraw/zinc/29/29/04/1037292904.db2.gz ZWMRXPXVYDBHIP-HOTGVXAUSA-N 2 1 349.569 3.839 20 0 EHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1F ZINC000532441700 1037295765 /nfs/dbraw/zinc/29/57/65/1037295765.db2.gz BDFNMVXFFNAWCT-CRAIPNDOSA-N 2 1 347.503 3.527 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000532448040 1037311342 /nfs/dbraw/zinc/31/13/42/1037311342.db2.gz NNNMIOOQAQEGFA-LZJOCLMNSA-N 2 1 342.483 3.815 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532449430 1037318972 /nfs/dbraw/zinc/31/89/72/1037318972.db2.gz QUWXIPNWOMXZFS-NRFANRHFSA-N 2 1 329.532 3.535 20 0 EHADMP CCCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000539897548 1037334901 /nfs/dbraw/zinc/33/49/01/1037334901.db2.gz BYXLURLSTOKQQX-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000539897548 1037334921 /nfs/dbraw/zinc/33/49/21/1037334921.db2.gz BYXLURLSTOKQQX-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000539897548 1037334941 /nfs/dbraw/zinc/33/49/41/1037334941.db2.gz BYXLURLSTOKQQX-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462778843 1037381822 /nfs/dbraw/zinc/38/18/22/1037381822.db2.gz KPYVRMQFBBDBHS-OAQYLSRUSA-N 2 1 330.516 3.671 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@@H]1c1ccccc1 ZINC000423449738 1037407262 /nfs/dbraw/zinc/40/72/62/1037407262.db2.gz RYXMLOVQZOBUKJ-RBBKRZOGSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@@H]1c1ccccc1 ZINC000423449738 1037407269 /nfs/dbraw/zinc/40/72/69/1037407269.db2.gz RYXMLOVQZOBUKJ-RBBKRZOGSA-N 2 1 335.495 3.970 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc([S@](C)=O)cc3)CC2)C1 ZINC000181250831 1037474787 /nfs/dbraw/zinc/47/47/87/1037474787.db2.gz GLPHUHCXUXFYGV-XKPFWTEKSA-N 2 1 348.556 3.557 20 0 EHADMP c1ccc([C@H](CC2CC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000532485005 1037525127 /nfs/dbraw/zinc/52/51/27/1037525127.db2.gz YYWFVUHIERZOPY-FQEVSTJZSA-N 2 1 328.500 3.762 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148487 1037605654 /nfs/dbraw/zinc/60/56/54/1037605654.db2.gz PXBZPLWLWXBRIB-SJORKVTESA-N 2 1 335.511 3.910 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148487 1037605665 /nfs/dbraw/zinc/60/56/65/1037605665.db2.gz PXBZPLWLWXBRIB-SJORKVTESA-N 2 1 335.511 3.910 20 0 EHADMP COc1cccc(SCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000659876679 1037610358 /nfs/dbraw/zinc/61/03/58/1037610358.db2.gz LFQSBPBNBSCDOK-UHFFFAOYSA-N 2 1 336.545 3.840 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643256 1037629293 /nfs/dbraw/zinc/62/92/93/1037629293.db2.gz SHTGESNNHAEADY-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643256 1037629297 /nfs/dbraw/zinc/62/92/97/1037629297.db2.gz SHTGESNNHAEADY-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000303643256 1037629308 /nfs/dbraw/zinc/62/93/08/1037629308.db2.gz SHTGESNNHAEADY-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000303643256 1037629315 /nfs/dbraw/zinc/62/93/15/1037629315.db2.gz SHTGESNNHAEADY-MSOLQXFVSA-N 2 1 334.479 3.791 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905142 1037702303 /nfs/dbraw/zinc/70/23/03/1037702303.db2.gz GVAVYOYGZRDIRC-CXAGYDPISA-N 2 1 349.316 3.819 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078218 1037744727 /nfs/dbraw/zinc/74/47/27/1037744727.db2.gz ODCISYGFXMRUCJ-XLIONFOSSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078218 1037744748 /nfs/dbraw/zinc/74/47/48/1037744748.db2.gz ODCISYGFXMRUCJ-XLIONFOSSA-N 2 1 342.458 3.847 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092233 1037753874 /nfs/dbraw/zinc/75/38/74/1037753874.db2.gz WMGPABDLRYJRTF-LJQANCHMSA-N 2 1 342.531 3.789 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092233 1037753883 /nfs/dbraw/zinc/75/38/83/1037753883.db2.gz WMGPABDLRYJRTF-LJQANCHMSA-N 2 1 342.531 3.789 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092233 1037753898 /nfs/dbraw/zinc/75/38/98/1037753898.db2.gz WMGPABDLRYJRTF-LJQANCHMSA-N 2 1 342.531 3.789 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000463146751 1037815046 /nfs/dbraw/zinc/81/50/46/1037815046.db2.gz PLFRRDCSTITSPY-VMBXEPDQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463146751 1037815062 /nfs/dbraw/zinc/81/50/62/1037815062.db2.gz PLFRRDCSTITSPY-VMBXEPDQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000463146751 1037815077 /nfs/dbraw/zinc/81/50/77/1037815077.db2.gz PLFRRDCSTITSPY-VMBXEPDQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237431 1037918409 /nfs/dbraw/zinc/91/84/09/1037918409.db2.gz NFBAREGCPQIEQF-HLAWJBBLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237431 1037918429 /nfs/dbraw/zinc/91/84/29/1037918429.db2.gz NFBAREGCPQIEQF-HLAWJBBLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237431 1037918453 /nfs/dbraw/zinc/91/84/53/1037918453.db2.gz NFBAREGCPQIEQF-HLAWJBBLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463237431 1037918484 /nfs/dbraw/zinc/91/84/84/1037918484.db2.gz NFBAREGCPQIEQF-HLAWJBBLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237431 1037918489 /nfs/dbraw/zinc/91/84/89/1037918489.db2.gz NFBAREGCPQIEQF-HLAWJBBLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463237983 1037921830 /nfs/dbraw/zinc/92/18/30/1037921830.db2.gz SIRZWFHKELCPLA-COPCDDAFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463237983 1037921841 /nfs/dbraw/zinc/92/18/41/1037921841.db2.gz SIRZWFHKELCPLA-COPCDDAFSA-N 2 1 344.543 3.818 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000120144002 1037927096 /nfs/dbraw/zinc/92/70/96/1037927096.db2.gz ZLTVSNGPGXCPRM-KRWDZBQOSA-N 2 1 339.483 3.818 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000120144002 1037927111 /nfs/dbraw/zinc/92/71/11/1037927111.db2.gz ZLTVSNGPGXCPRM-KRWDZBQOSA-N 2 1 339.483 3.818 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463269332 1037972229 /nfs/dbraw/zinc/97/22/29/1037972229.db2.gz UOPFQPRGECUJGK-GFRNBQLOSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463269332 1037972248 /nfs/dbraw/zinc/97/22/48/1037972248.db2.gz UOPFQPRGECUJGK-GFRNBQLOSA-N 2 1 342.527 3.834 20 0 EHADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000538718111 1038489150 /nfs/dbraw/zinc/48/91/50/1038489150.db2.gz VWWQOKSMAOOQIJ-GOSISDBHSA-N 2 1 328.500 3.708 20 0 EHADMP CC1(C)CCc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000538718111 1038489156 /nfs/dbraw/zinc/48/91/56/1038489156.db2.gz VWWQOKSMAOOQIJ-GOSISDBHSA-N 2 1 328.500 3.708 20 0 EHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC(F)F)c(F)c1 ZINC000538735536 1038499605 /nfs/dbraw/zinc/49/96/05/1038499605.db2.gz GTALXDDJIJARJF-AWEZNQCLSA-N 2 1 330.394 3.733 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000124390986 1038891173 /nfs/dbraw/zinc/89/11/73/1038891173.db2.gz WKHRIPSPUGACQI-QWHCGFSZSA-N 2 1 328.378 3.720 20 0 EHADMP F[C@H]1C[C@@H](CNc2[nH+]ccc3[nH]ccc32)[N@H+](Cc2cccs2)C1 ZINC000663825837 1039077707 /nfs/dbraw/zinc/07/77/07/1039077707.db2.gz JOHBVXDUUMYCMT-STQMWFEESA-N 2 1 330.432 3.649 20 0 EHADMP F[C@H]1C[C@@H](CNc2[nH+]ccc3[nH]ccc32)[N@@H+](Cc2cccs2)C1 ZINC000663825837 1039077723 /nfs/dbraw/zinc/07/77/23/1039077723.db2.gz JOHBVXDUUMYCMT-STQMWFEESA-N 2 1 330.432 3.649 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000552276825 1039150758 /nfs/dbraw/zinc/15/07/58/1039150758.db2.gz KUTYUUTZGHPJAN-KRWDZBQOSA-N 2 1 340.389 3.888 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000488426344 1039165561 /nfs/dbraw/zinc/16/55/61/1039165561.db2.gz HURSOOFJANKQJO-MOPGFXCFSA-N 2 1 348.556 3.529 20 0 EHADMP CCc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519508 1039190039 /nfs/dbraw/zinc/19/00/39/1039190039.db2.gz PKYSTHAOLUOEEO-WSTZPKSXSA-N 2 1 339.483 3.627 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512450024 1039196124 /nfs/dbraw/zinc/19/61/24/1039196124.db2.gz NUFBHZKXQYPKSC-NZQKXSOJSA-N 2 1 349.522 3.640 20 0 EHADMP C[C@H]1C[C@@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000511606353 1039449500 /nfs/dbraw/zinc/44/95/00/1039449500.db2.gz ZXEKFCZJIOYUFU-DOTOQJQBSA-N 2 1 335.455 3.622 20 0 EHADMP C[C@H]1C[C@@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000511606353 1039449509 /nfs/dbraw/zinc/44/95/09/1039449509.db2.gz ZXEKFCZJIOYUFU-DOTOQJQBSA-N 2 1 335.455 3.622 20 0 EHADMP C[N@@H+](CCCNCc1conc1Cc1ccccc1)Cc1ccccc1 ZINC000549686659 1039678306 /nfs/dbraw/zinc/67/83/06/1039678306.db2.gz KQNLUEHZBZKZJU-UHFFFAOYSA-N 2 1 349.478 3.877 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000549749221 1039793993 /nfs/dbraw/zinc/79/39/93/1039793993.db2.gz NVQNXVFXUKPHRI-LPHOPBHVSA-N 2 1 338.923 3.875 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1)CC(C)C ZINC000554884236 1039906672 /nfs/dbraw/zinc/90/66/72/1039906672.db2.gz WUZSUADICOQKFR-UHFFFAOYSA-N 2 1 349.567 3.613 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1)CC(C)C ZINC000554884236 1039906679 /nfs/dbraw/zinc/90/66/79/1039906679.db2.gz WUZSUADICOQKFR-UHFFFAOYSA-N 2 1 349.567 3.613 20 0 EHADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480746547 1039983830 /nfs/dbraw/zinc/98/38/30/1039983830.db2.gz ROQYZJJJJUJVGP-AVRDEDQJSA-N 2 1 338.495 3.738 20 0 EHADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480746547 1039983839 /nfs/dbraw/zinc/98/38/39/1039983839.db2.gz ROQYZJJJJUJVGP-AVRDEDQJSA-N 2 1 338.495 3.738 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000319064372 1040090584 /nfs/dbraw/zinc/09/05/84/1040090584.db2.gz PISMXNDOLFGVHU-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000319064372 1040090605 /nfs/dbraw/zinc/09/06/05/1040090605.db2.gz PISMXNDOLFGVHU-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000489607161 1040103444 /nfs/dbraw/zinc/10/34/44/1040103444.db2.gz FGWZMUZRMNXWCN-LJQANCHMSA-N 2 1 334.504 3.582 20 0 EHADMP C[C@@H](CCc1ccccc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162856251 1040189537 /nfs/dbraw/zinc/18/95/37/1040189537.db2.gz TZJXYVHMBHHLNK-OKZBNKHCSA-N 2 1 336.495 3.626 20 0 EHADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000663882256 1040278292 /nfs/dbraw/zinc/27/82/92/1040278292.db2.gz WKBKZLUMBQHZAY-LJQANCHMSA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000663882256 1040278304 /nfs/dbraw/zinc/27/83/04/1040278304.db2.gz WKBKZLUMBQHZAY-LJQANCHMSA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000663882256 1040278318 /nfs/dbraw/zinc/27/83/18/1040278318.db2.gz WKBKZLUMBQHZAY-LJQANCHMSA-N 2 1 339.483 3.595 20 0 EHADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000512622321 1040290849 /nfs/dbraw/zinc/29/08/49/1040290849.db2.gz ANPNCNOKHBYWPC-QHAWAJNXSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000479499567 1040306821 /nfs/dbraw/zinc/30/68/21/1040306821.db2.gz OFPSPKUDSRCPKM-STZQEDGTSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000479499567 1040306831 /nfs/dbraw/zinc/30/68/31/1040306831.db2.gz OFPSPKUDSRCPKM-STZQEDGTSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549867958 1040456086 /nfs/dbraw/zinc/45/60/86/1040456086.db2.gz KJZCXMIMPJDZTN-HMXCVIKNSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3F)n2)[C@@H]1CCC[NH3+] ZINC000629547342 1040466350 /nfs/dbraw/zinc/46/63/50/1040466350.db2.gz MZBBHPQVEYDRFH-RDTXWAMCSA-N 2 1 331.435 3.820 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118211 1040552440 /nfs/dbraw/zinc/55/24/40/1040552440.db2.gz SXUJKYCBOLFNKZ-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118211 1040552458 /nfs/dbraw/zinc/55/24/58/1040552458.db2.gz SXUJKYCBOLFNKZ-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118211 1040552471 /nfs/dbraw/zinc/55/24/71/1040552471.db2.gz SXUJKYCBOLFNKZ-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000500118211 1040552487 /nfs/dbraw/zinc/55/24/87/1040552487.db2.gz SXUJKYCBOLFNKZ-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F)C[NH+]1CCCC1 ZINC000481324155 1040685549 /nfs/dbraw/zinc/68/55/49/1040685549.db2.gz QJLQHRNDOYSHPT-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cn(C)cn1 ZINC000924871539 1040687960 /nfs/dbraw/zinc/68/79/60/1040687960.db2.gz XZGDCCGSEJVSON-KRWDZBQOSA-N 2 1 326.488 3.647 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000668755473 1040779297 /nfs/dbraw/zinc/77/92/97/1040779297.db2.gz HDJQDWQQROUCET-GOSISDBHSA-N 2 1 332.451 3.738 20 0 EHADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481398298 1040848662 /nfs/dbraw/zinc/84/86/62/1040848662.db2.gz DNMLZZKVAFMQFC-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH2+]CCN(C)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481398298 1040848677 /nfs/dbraw/zinc/84/86/77/1040848677.db2.gz DNMLZZKVAFMQFC-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP C(=C\c1ccncc1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000487278871 1040873182 /nfs/dbraw/zinc/87/31/82/1040873182.db2.gz ULXPWODPCLIDRL-CKINHPAFSA-N 2 1 333.479 3.880 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487976638 1041228436 /nfs/dbraw/zinc/22/84/36/1041228436.db2.gz ZHYMMHCJOPNRAP-UHFFFAOYSA-N 2 1 349.482 3.524 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487976638 1041228457 /nfs/dbraw/zinc/22/84/57/1041228457.db2.gz ZHYMMHCJOPNRAP-UHFFFAOYSA-N 2 1 349.482 3.524 20 0 EHADMP C[C@H]1[C@H](Nc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC[N@H+]1C ZINC000899874390 1041258463 /nfs/dbraw/zinc/25/84/63/1041258463.db2.gz BAUVDGQSVAFYBU-GXFFZTMASA-N 2 1 325.334 3.638 20 0 EHADMP c1[nH+]c(C2CC[NH+](Cc3cnc4ccccc4n3)CC2)n2c1CCCC2 ZINC000660437013 1041351623 /nfs/dbraw/zinc/35/16/23/1041351623.db2.gz UTCCJUBHASXTKY-UHFFFAOYSA-N 2 1 347.466 3.542 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000390714326 1041353972 /nfs/dbraw/zinc/35/39/72/1041353972.db2.gz XQZZRQXNQLIVDR-SLFFLAALSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000390714326 1041353985 /nfs/dbraw/zinc/35/39/85/1041353985.db2.gz XQZZRQXNQLIVDR-SLFFLAALSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000651636844 1041819087 /nfs/dbraw/zinc/81/90/87/1041819087.db2.gz VDDBQTNNWMEDSZ-RTBURBONSA-N 2 1 326.488 3.516 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c2ccccn21 ZINC000651636844 1041819093 /nfs/dbraw/zinc/81/90/93/1041819093.db2.gz VDDBQTNNWMEDSZ-RTBURBONSA-N 2 1 326.488 3.516 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000651778746 1042026777 /nfs/dbraw/zinc/02/67/77/1042026777.db2.gz IRHCPFVOOUVGBT-UHFFFAOYSA-N 2 1 338.499 3.549 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549544158 1042069463 /nfs/dbraw/zinc/06/94/63/1042069463.db2.gz OKHPCZVFYJIFFQ-LBFCPWMRSA-N 2 1 330.516 3.658 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000651928483 1042202531 /nfs/dbraw/zinc/20/25/31/1042202531.db2.gz IIYNYVKIRNVRIT-ZPMCFJSWSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000651928483 1042202535 /nfs/dbraw/zinc/20/25/35/1042202535.db2.gz IIYNYVKIRNVRIT-ZPMCFJSWSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348069 1042406232 /nfs/dbraw/zinc/40/62/32/1042406232.db2.gz TVLAVTZWLLKQQQ-OYUZRVEBSA-N 2 1 340.870 3.758 20 0 EHADMP CCC1([NH3+])CC[NH+](C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000925756854 1042603146 /nfs/dbraw/zinc/60/31/46/1042603146.db2.gz BAZDNDQOJITYHH-UHFFFAOYSA-N 3 1 329.532 3.633 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC1CCCC1 ZINC000165123247 1042620038 /nfs/dbraw/zinc/62/00/38/1042620038.db2.gz KGEODBHWMMLHRY-WBVHZDCISA-N 2 1 332.488 3.589 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC1CCCC1 ZINC000165123247 1042620042 /nfs/dbraw/zinc/62/00/42/1042620042.db2.gz KGEODBHWMMLHRY-WBVHZDCISA-N 2 1 332.488 3.589 20 0 EHADMP Cc1cc(Br)c(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC000662235640 1042624537 /nfs/dbraw/zinc/62/45/37/1042624537.db2.gz RXIXKUJBLPHKNN-UHFFFAOYSA-N 2 1 331.685 3.582 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)o1 ZINC000662293120 1042663263 /nfs/dbraw/zinc/66/32/63/1042663263.db2.gz JZGJDQVLKSHHLE-INIZCTEOSA-N 2 1 345.512 3.923 20 0 EHADMP c1csc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)co2)c1 ZINC000662293863 1042663516 /nfs/dbraw/zinc/66/35/16/1042663516.db2.gz UFLBHARUDYXHQU-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662296550 1042666280 /nfs/dbraw/zinc/66/62/80/1042666280.db2.gz LXDXGGGWOLIBGJ-LJQANCHMSA-N 2 1 339.483 3.862 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(C(C)C)c3)CC2)nc(C)[nH+]1 ZINC000663318860 1042675013 /nfs/dbraw/zinc/67/50/13/1042675013.db2.gz NZXZEKLHPFKIDQ-UHFFFAOYSA-N 2 1 338.499 3.975 20 0 EHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321432 1042684399 /nfs/dbraw/zinc/68/43/99/1042684399.db2.gz IEYMKZLUJOXDOO-MJGOQNOKSA-N 2 1 326.484 3.943 20 0 EHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324074 1042684439 /nfs/dbraw/zinc/68/44/39/1042684439.db2.gz UKADDWPYZBHKTB-UTKZUKDTSA-N 2 1 326.484 3.943 20 0 EHADMP Cc1nc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2s1 ZINC000663343859 1042727724 /nfs/dbraw/zinc/72/77/24/1042727724.db2.gz HTYSCVWZNIYXQU-KRWDZBQOSA-N 2 1 329.513 3.816 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464174 1042885491 /nfs/dbraw/zinc/88/54/91/1042885491.db2.gz DBZOHAMBXAZEBP-FUHWJXTLSA-N 2 1 330.520 3.771 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464174 1042885497 /nfs/dbraw/zinc/88/54/97/1042885497.db2.gz DBZOHAMBXAZEBP-FUHWJXTLSA-N 2 1 330.520 3.771 20 0 EHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000604387409 1042936446 /nfs/dbraw/zinc/93/64/46/1042936446.db2.gz CSKGBTQIVAPXIZ-KRWDZBQOSA-N 2 1 326.484 3.679 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001167823975 1042938416 /nfs/dbraw/zinc/93/84/16/1042938416.db2.gz ANVZKJCTFNQQAJ-INIZCTEOSA-N 2 1 334.504 3.572 20 0 EHADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278990416 1043148958 /nfs/dbraw/zinc/14/89/58/1043148958.db2.gz QAADGJIABSXYDT-SJORKVTESA-N 2 1 327.472 3.831 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426777 1043176482 /nfs/dbraw/zinc/17/64/82/1043176482.db2.gz UYSKTUPOKXDHMM-GJZGRUSLSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426777 1043176494 /nfs/dbraw/zinc/17/64/94/1043176494.db2.gz UYSKTUPOKXDHMM-GJZGRUSLSA-N 2 1 344.421 3.857 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512150229 1043471912 /nfs/dbraw/zinc/47/19/12/1043471912.db2.gz VIVYWDVJLQGEHR-IFMALSPDSA-N 2 1 343.559 3.876 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344444440 1044003982 /nfs/dbraw/zinc/00/39/82/1044003982.db2.gz GVAYVQIAZQHYHG-GHTZIAJQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444440 1044003994 /nfs/dbraw/zinc/00/39/94/1044003994.db2.gz GVAYVQIAZQHYHG-GHTZIAJQSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000728906905 1044455200 /nfs/dbraw/zinc/45/52/00/1044455200.db2.gz LNUXAVHTWSLTDX-UHFFFAOYSA-N 2 1 349.475 3.848 20 0 EHADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000728906905 1044455202 /nfs/dbraw/zinc/45/52/02/1044455202.db2.gz LNUXAVHTWSLTDX-UHFFFAOYSA-N 2 1 349.475 3.848 20 0 EHADMP CCC[N@H+](C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1C=CCCC1 ZINC000512282641 1044542150 /nfs/dbraw/zinc/54/21/50/1044542150.db2.gz MRXPFNGXTZCDEP-GOSISDBHSA-N 2 1 328.504 3.883 20 0 EHADMP CCC[N@@H+](C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1C=CCCC1 ZINC000512282641 1044542163 /nfs/dbraw/zinc/54/21/63/1044542163.db2.gz MRXPFNGXTZCDEP-GOSISDBHSA-N 2 1 328.504 3.883 20 0 EHADMP CC(C)[N@@H+](C)CCCNCc1ccc(Br)c(Cl)c1 ZINC000232654561 1044698908 /nfs/dbraw/zinc/69/89/08/1044698908.db2.gz KSHHKSDMVIRORL-UHFFFAOYSA-N 2 1 333.701 3.922 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000232654561 1044698916 /nfs/dbraw/zinc/69/89/16/1044698916.db2.gz KSHHKSDMVIRORL-UHFFFAOYSA-N 2 1 333.701 3.922 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000232654561 1044698921 /nfs/dbraw/zinc/69/89/21/1044698921.db2.gz KSHHKSDMVIRORL-UHFFFAOYSA-N 2 1 333.701 3.922 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338018939 1126830207 /nfs/dbraw/zinc/83/02/07/1126830207.db2.gz NLYPJDWBTCZNIR-OXJNMPFZSA-N 2 1 340.515 3.680 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338018939 1126830209 /nfs/dbraw/zinc/83/02/09/1126830209.db2.gz NLYPJDWBTCZNIR-OXJNMPFZSA-N 2 1 340.515 3.680 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185274783 1126852170 /nfs/dbraw/zinc/85/21/70/1126852170.db2.gz KKJKREMPTXASAM-AWEZNQCLSA-N 2 1 339.867 3.992 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000671295904 1126872518 /nfs/dbraw/zinc/87/25/18/1126872518.db2.gz HMOZRCCGWDUFCO-LZQZEXGQSA-N 2 1 327.472 3.663 20 0 EHADMP COc1ccc(Oc2ccc(C[NH2+]CCc3c[nH+]cn3C)cc2)cc1 ZINC000623086429 1126874076 /nfs/dbraw/zinc/87/40/76/1126874076.db2.gz QSVCOOXYSSPDQD-UHFFFAOYSA-N 2 1 337.423 3.553 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344491 1126923493 /nfs/dbraw/zinc/92/34/93/1126923493.db2.gz OXDDXWIKXRDAOO-AZUAARDMSA-N 2 1 347.547 3.541 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000623657001 1127006958 /nfs/dbraw/zinc/00/69/58/1127006958.db2.gz HJPOPZISHPRNTC-QGZVFWFLSA-N 2 1 343.446 3.835 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000623657001 1127006961 /nfs/dbraw/zinc/00/69/61/1127006961.db2.gz HJPOPZISHPRNTC-QGZVFWFLSA-N 2 1 343.446 3.835 20 0 EHADMP COc1ccccc1C[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178707008 1127025424 /nfs/dbraw/zinc/02/54/24/1127025424.db2.gz MMUAAZMXEUUWMV-QFBILLFUSA-N 2 1 329.488 3.693 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCCO1 ZINC000623979033 1127226683 /nfs/dbraw/zinc/22/66/83/1127226683.db2.gz OCUWZRWCEMMDSE-IHPCNDPISA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCCO1 ZINC000623979033 1127226686 /nfs/dbraw/zinc/22/66/86/1127226686.db2.gz OCUWZRWCEMMDSE-IHPCNDPISA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000624019484 1127234739 /nfs/dbraw/zinc/23/47/39/1127234739.db2.gz ROXDFIGKIINSDS-WMZOPIPTSA-N 2 1 334.504 3.692 20 0 EHADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000624046598 1127242290 /nfs/dbraw/zinc/24/22/90/1127242290.db2.gz CSHGIGRILIRPGI-YTQUADARSA-N 2 1 327.497 3.533 20 0 EHADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000624046598 1127242294 /nfs/dbraw/zinc/24/22/94/1127242294.db2.gz CSHGIGRILIRPGI-YTQUADARSA-N 2 1 327.497 3.533 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121248 1127256043 /nfs/dbraw/zinc/25/60/43/1127256043.db2.gz RFMQMOUFTQTEHI-SJLPKXTDSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121289 1127257113 /nfs/dbraw/zinc/25/71/13/1127257113.db2.gz SIUGMNPPAMOSMB-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121289 1127257115 /nfs/dbraw/zinc/25/71/15/1127257115.db2.gz SIUGMNPPAMOSMB-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000624124002 1127257242 /nfs/dbraw/zinc/25/72/42/1127257242.db2.gz VLFSOSKLHHBLOG-ZWKOTPCHSA-N 2 1 329.513 3.748 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181417708 1127276164 /nfs/dbraw/zinc/27/61/64/1127276164.db2.gz CMIGBKFFBIPRHJ-OAHLLOKOSA-N 2 1 329.257 3.723 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183130725 1127364111 /nfs/dbraw/zinc/36/41/11/1127364111.db2.gz SSRQCSLNXUQMHK-BAGYTPMASA-N 2 1 335.495 3.780 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183130725 1127364114 /nfs/dbraw/zinc/36/41/14/1127364114.db2.gz SSRQCSLNXUQMHK-BAGYTPMASA-N 2 1 335.495 3.780 20 0 EHADMP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000184510957 1127407281 /nfs/dbraw/zinc/40/72/81/1127407281.db2.gz NSRFOMXZRNZVNM-GJZGRUSLSA-N 2 1 339.549 3.556 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000184557779 1127408268 /nfs/dbraw/zinc/40/82/68/1127408268.db2.gz ZPBACFFUAGKYDH-VGSWGCGISA-N 2 1 349.478 3.825 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370671897 1127428982 /nfs/dbraw/zinc/42/89/82/1127428982.db2.gz ZPWPZALEODUELR-HYVNUMGLSA-N 2 1 338.442 3.826 20 0 EHADMP C[C@H]([NH2+]CCOCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381879332 1127495189 /nfs/dbraw/zinc/49/51/89/1127495189.db2.gz OGWSKSBCGTUAGI-UGKGYDQZSA-N 2 1 338.495 3.703 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000383438990 1127542506 /nfs/dbraw/zinc/54/25/06/1127542506.db2.gz DFWGBNSNDBOLBL-BTHPGYMESA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383441211 1127543210 /nfs/dbraw/zinc/54/32/10/1127543210.db2.gz DSIAVLYVYPLZQR-QAPCUYQASA-N 2 1 330.422 3.965 20 0 EHADMP Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000921511233 1127594663 /nfs/dbraw/zinc/59/46/63/1127594663.db2.gz CRKWBOKAJQBRNY-UHFFFAOYSA-N 2 1 344.890 3.826 20 0 EHADMP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000172064151 1127679523 /nfs/dbraw/zinc/67/95/23/1127679523.db2.gz HBVLRJQKNVZAQM-UHFFFAOYSA-N 2 1 348.922 3.766 20 0 EHADMP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000172064151 1127679525 /nfs/dbraw/zinc/67/95/25/1127679525.db2.gz HBVLRJQKNVZAQM-UHFFFAOYSA-N 2 1 348.922 3.766 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126659281 1128104216 /nfs/dbraw/zinc/10/42/16/1128104216.db2.gz FSGOVYWGQGBFRN-QZTJIDSGSA-N 2 1 332.488 3.591 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126659281 1128104219 /nfs/dbraw/zinc/10/42/19/1128104219.db2.gz FSGOVYWGQGBFRN-QZTJIDSGSA-N 2 1 332.488 3.591 20 0 EHADMP C[C@H]1CCCN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000671741317 1128178482 /nfs/dbraw/zinc/17/84/82/1128178482.db2.gz OQHIZSHMGRGSLS-KPQWGBOZSA-N 2 1 343.559 3.751 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([N@@H+](CCC[NH3+])C3CCCCC3)CCO2)cc1 ZINC001168591222 1128179026 /nfs/dbraw/zinc/17/90/26/1128179026.db2.gz UMCFXFOOPVJUGV-CTNGQTDRSA-N 2 1 346.515 3.899 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@H]2CCC[C@H]21 ZINC000671743316 1128183878 /nfs/dbraw/zinc/18/38/78/1128183878.db2.gz METCMOBLFQGVKH-JOCLIGHLSA-N 2 1 347.934 3.629 20 0 EHADMP C[C@H](C[NH+]1CCC[C@H]1c1ccc[nH]1)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000074350420 1128339643 /nfs/dbraw/zinc/33/96/43/1128339643.db2.gz IWJLGXYDRPGCHE-PDFPEKILSA-N 2 1 326.488 3.953 20 0 EHADMP C[C@H](C[NH+]1CCC[C@H]1c1ccc[nH]1)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000074350420 1128339648 /nfs/dbraw/zinc/33/96/48/1128339648.db2.gz IWJLGXYDRPGCHE-PDFPEKILSA-N 2 1 326.488 3.953 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H]1c1ccc[nH]1)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000074350420 1128339651 /nfs/dbraw/zinc/33/96/51/1128339651.db2.gz IWJLGXYDRPGCHE-PDFPEKILSA-N 2 1 326.488 3.953 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H]1c1ccc[nH]1)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000074350420 1128339656 /nfs/dbraw/zinc/33/96/56/1128339656.db2.gz IWJLGXYDRPGCHE-PDFPEKILSA-N 2 1 326.488 3.953 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785532 1128366075 /nfs/dbraw/zinc/36/60/75/1128366075.db2.gz XGRRLBVOYUARCZ-PKOBYXMFSA-N 2 1 340.515 3.952 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785532 1128366080 /nfs/dbraw/zinc/36/60/80/1128366080.db2.gz XGRRLBVOYUARCZ-PKOBYXMFSA-N 2 1 340.515 3.952 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655908 1128449451 /nfs/dbraw/zinc/44/94/51/1128449451.db2.gz ILADLXZCULGRSZ-LBPRGKRZSA-N 2 1 331.287 3.824 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655908 1128449453 /nfs/dbraw/zinc/44/94/53/1128449453.db2.gz ILADLXZCULGRSZ-LBPRGKRZSA-N 2 1 331.287 3.824 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000785442671 1128459732 /nfs/dbraw/zinc/45/97/32/1128459732.db2.gz SDGIKBXAMNOSKP-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000785442671 1128459735 /nfs/dbraw/zinc/45/97/35/1128459735.db2.gz SDGIKBXAMNOSKP-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903445419 1128513834 /nfs/dbraw/zinc/51/38/34/1128513834.db2.gz ZYRVYKKUAULQJT-GJYPPUQNSA-N 2 1 326.488 3.610 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903445419 1128513836 /nfs/dbraw/zinc/51/38/36/1128513836.db2.gz ZYRVYKKUAULQJT-GJYPPUQNSA-N 2 1 326.488 3.610 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000338686735 1128531380 /nfs/dbraw/zinc/53/13/80/1128531380.db2.gz JTGFEUIPSJIOTB-UHFFFAOYSA-N 2 1 328.500 3.577 20 0 EHADMP CC(C)n1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC001648792829 1120035132 /nfs/dbraw/zinc/03/51/32/1120035132.db2.gz WTIYHAFKLRYFIB-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000186106465 1120443422 /nfs/dbraw/zinc/44/34/22/1120443422.db2.gz WHUNAFHQMLTAJU-NRFANRHFSA-N 2 1 343.559 3.688 20 0 EHADMP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000186680880 1120470291 /nfs/dbraw/zinc/47/02/91/1120470291.db2.gz MGJYQOOGHLQSQQ-AWEZNQCLSA-N 2 1 340.870 3.584 20 0 EHADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186827118 1120476977 /nfs/dbraw/zinc/47/69/77/1120476977.db2.gz FCLFNTLPAWTBOA-FCHUYYIVSA-N 2 1 344.543 3.877 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(Cl)c1 ZINC000191383437 1120671594 /nfs/dbraw/zinc/67/15/94/1120671594.db2.gz RANKECINJFSQDZ-RCBQFDQVSA-N 2 1 342.936 3.820 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000191454175 1120674864 /nfs/dbraw/zinc/67/48/64/1120674864.db2.gz INHKWZQNWRRFBB-UHFFFAOYSA-N 2 1 349.950 3.721 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494608681 1120686071 /nfs/dbraw/zinc/68/60/71/1120686071.db2.gz LBTZEMKLWWGFKV-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494608681 1120686074 /nfs/dbraw/zinc/68/60/74/1120686074.db2.gz LBTZEMKLWWGFKV-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192739747 1120746034 /nfs/dbraw/zinc/74/60/34/1120746034.db2.gz RKDPTORDABRHQA-OAQYLSRUSA-N 2 1 331.548 3.732 20 0 EHADMP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000192750429 1120746688 /nfs/dbraw/zinc/74/66/88/1120746688.db2.gz CQBPPCMWSIPBMU-UYAOXDASSA-N 2 1 347.547 3.777 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000192765344 1120748280 /nfs/dbraw/zinc/74/82/80/1120748280.db2.gz CYKHUMKGVJZQNF-JOCHJYFZSA-N 2 1 341.543 3.554 20 0 EHADMP COCC[NH+]1CCC([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000193284039 1120769223 /nfs/dbraw/zinc/76/92/23/1120769223.db2.gz PTRRTXQJDMJLHY-UHFFFAOYSA-N 2 1 345.314 3.626 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227820625 1120916871 /nfs/dbraw/zinc/91/68/71/1120916871.db2.gz FXERRGWPMLQIOU-MRVPVSSYSA-N 2 1 325.703 3.594 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168474614 1120921314 /nfs/dbraw/zinc/92/13/14/1120921314.db2.gz SMNVWNYSDXFLGO-SNRMKQJTSA-N 2 1 334.479 3.508 20 0 EHADMP CC[N@@H+](C/C=C/c1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494980051 1120922160 /nfs/dbraw/zinc/92/21/60/1120922160.db2.gz ZRUBGWINLQNBOW-OUZREKFBSA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C/c1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494980051 1120922165 /nfs/dbraw/zinc/92/21/65/1120922165.db2.gz ZRUBGWINLQNBOW-OUZREKFBSA-N 2 1 335.495 3.939 20 0 EHADMP CC[NH+](C/C=C/c1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494980051 1120922171 /nfs/dbraw/zinc/92/21/71/1120922171.db2.gz ZRUBGWINLQNBOW-OUZREKFBSA-N 2 1 335.495 3.939 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000495076125 1120945733 /nfs/dbraw/zinc/94/57/33/1120945733.db2.gz XTEOTXFSXJAISU-KRWDZBQOSA-N 2 1 333.520 3.548 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184869 1120982764 /nfs/dbraw/zinc/98/27/64/1120982764.db2.gz RRIRIVMLFTZXTN-IIYDPXPESA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184869 1120982767 /nfs/dbraw/zinc/98/27/67/1120982767.db2.gz RRIRIVMLFTZXTN-IIYDPXPESA-N 2 1 342.314 3.502 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001168480219 1120984981 /nfs/dbraw/zinc/98/49/81/1120984981.db2.gz MLWJBHJCMRLJLA-NJAFHUGGSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976833 1128989685 /nfs/dbraw/zinc/98/96/85/1128989685.db2.gz KAMVBYJPUNMEIX-YLJYHZDGSA-N 2 1 338.499 3.608 20 0 EHADMP c1cc2cccc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)c2[nH]1 ZINC000236738866 1121462184 /nfs/dbraw/zinc/46/21/84/1121462184.db2.gz CZZCXPUUHBECAP-LJQANCHMSA-N 2 1 333.479 3.822 20 0 EHADMP c1cnn(-c2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000236740771 1121462329 /nfs/dbraw/zinc/46/23/29/1121462329.db2.gz MQQIJSXLCIFGTJ-UHFFFAOYSA-N 2 1 346.478 3.627 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706370 1128996011 /nfs/dbraw/zinc/99/60/11/1128996011.db2.gz XBIRYVOPDZDCQB-SRCQZFHVSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706370 1128996014 /nfs/dbraw/zinc/99/60/14/1128996014.db2.gz XBIRYVOPDZDCQB-SRCQZFHVSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@H]([NH2+]Cc1nccc2c1CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921981919 1128996258 /nfs/dbraw/zinc/99/62/58/1128996258.db2.gz YSOGAZZQCXDXIH-WMZOPIPTSA-N 2 1 327.516 3.703 20 0 EHADMP C[C@H]([NH2+]Cc1nccc2c1CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921981919 1128996259 /nfs/dbraw/zinc/99/62/59/1128996259.db2.gz YSOGAZZQCXDXIH-WMZOPIPTSA-N 2 1 327.516 3.703 20 0 EHADMP Cc1cccc(N([C@@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001168500830 1121661584 /nfs/dbraw/zinc/66/15/84/1121661584.db2.gz NIFQKTNTQYYZGN-INIZCTEOSA-N 2 1 327.447 3.719 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)C1 ZINC000262537397 1121922499 /nfs/dbraw/zinc/92/24/99/1121922499.db2.gz QNNGRDSRUGEFTA-GDBMZVCRSA-N 2 1 326.431 3.541 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398134432 1121971733 /nfs/dbraw/zinc/97/17/33/1121971733.db2.gz KNOGTSRSOWTLEX-SEPFQZFQSA-N 2 1 335.495 3.631 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000037150305 1122143906 /nfs/dbraw/zinc/14/39/06/1122143906.db2.gz NHFKUBMFDRFCNC-UHFFFAOYSA-N 2 1 343.284 3.942 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000763397162 1122226314 /nfs/dbraw/zinc/22/63/14/1122226314.db2.gz YMICEBOCCHBKGX-MJGOQNOKSA-N 2 1 334.891 3.560 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)C[C@H]1c1ccccc1 ZINC000556118885 1122825509 /nfs/dbraw/zinc/82/55/09/1122825509.db2.gz LAXCORMWMZSNAO-WMZOPIPTSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)C[C@H]1c1ccccc1 ZINC000556118885 1122825515 /nfs/dbraw/zinc/82/55/15/1122825515.db2.gz LAXCORMWMZSNAO-WMZOPIPTSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ncccc2Cl)C[C@@H]1c1ccccc1 ZINC000556118884 1122825844 /nfs/dbraw/zinc/82/58/44/1122825844.db2.gz LAXCORMWMZSNAO-SJLPKXTDSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ncccc2Cl)C[C@@H]1c1ccccc1 ZINC000556118884 1122825850 /nfs/dbraw/zinc/82/58/50/1122825850.db2.gz LAXCORMWMZSNAO-SJLPKXTDSA-N 2 1 345.874 3.539 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130124191 1122891905 /nfs/dbraw/zinc/89/19/05/1122891905.db2.gz XMTZSOCRSLPVHG-GDBMZVCRSA-N 2 1 336.442 3.587 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000130182708 1122906721 /nfs/dbraw/zinc/90/67/21/1122906721.db2.gz PXOXLUPWOSLUJR-RCCFBDPRSA-N 2 1 349.316 3.523 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000130358120 1122943581 /nfs/dbraw/zinc/94/35/81/1122943581.db2.gz VPVKWMCSEITGGK-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000130358120 1122943585 /nfs/dbraw/zinc/94/35/85/1122943585.db2.gz VPVKWMCSEITGGK-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000130829060 1123008278 /nfs/dbraw/zinc/00/82/78/1123008278.db2.gz BVZWFSZDAGFUAL-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000130829060 1123008280 /nfs/dbraw/zinc/00/82/80/1123008280.db2.gz BVZWFSZDAGFUAL-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498765738 1123061613 /nfs/dbraw/zinc/06/16/13/1123061613.db2.gz DPOYYJIBQFKSTJ-SBHAEUEKSA-N 2 1 340.515 3.552 20 0 EHADMP COCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556858883 1123155368 /nfs/dbraw/zinc/15/53/68/1123155368.db2.gz OWOYYAINHHHATQ-NJDAHSKKSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133427176 1123392727 /nfs/dbraw/zinc/39/27/27/1123392727.db2.gz HYGMICORLZXQQQ-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133427176 1123392729 /nfs/dbraw/zinc/39/27/29/1123392729.db2.gz HYGMICORLZXQQQ-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133427176 1123392730 /nfs/dbraw/zinc/39/27/30/1123392730.db2.gz HYGMICORLZXQQQ-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133427176 1123392733 /nfs/dbraw/zinc/39/27/33/1123392733.db2.gz HYGMICORLZXQQQ-UONOGXRCSA-N 2 1 325.294 3.784 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000134163058 1123497209 /nfs/dbraw/zinc/49/72/09/1123497209.db2.gz YICHVNGBSKKCPA-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446284 1123829412 /nfs/dbraw/zinc/82/94/12/1123829412.db2.gz ZRZMULRGKZYDFX-HRAATJIYSA-N 2 1 340.515 3.651 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446284 1123829418 /nfs/dbraw/zinc/82/94/18/1123829418.db2.gz ZRZMULRGKZYDFX-HRAATJIYSA-N 2 1 340.515 3.651 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc(C[NH3+])o1)C1CCCCC1 ZINC000163458403 1123879658 /nfs/dbraw/zinc/87/96/58/1123879658.db2.gz CHIYXOKAIXGPCM-UHFFFAOYSA-N 2 1 341.455 3.755 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245737337 1123940167 /nfs/dbraw/zinc/94/01/67/1123940167.db2.gz FUOVXQCDCSMERT-SFTDATJTSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245737337 1123940170 /nfs/dbraw/zinc/94/01/70/1123940170.db2.gz FUOVXQCDCSMERT-SFTDATJTSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245737337 1123940173 /nfs/dbraw/zinc/94/01/73/1123940173.db2.gz FUOVXQCDCSMERT-SFTDATJTSA-N 2 1 343.559 3.561 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)cc1 ZINC000617014354 1124077549 /nfs/dbraw/zinc/07/75/49/1124077549.db2.gz IABUAGKONJDSST-IBGZPJMESA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617014354 1124077553 /nfs/dbraw/zinc/07/75/53/1124077553.db2.gz IABUAGKONJDSST-IBGZPJMESA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000617014354 1124077558 /nfs/dbraw/zinc/07/75/58/1124077558.db2.gz IABUAGKONJDSST-IBGZPJMESA-N 2 1 345.531 3.521 20 0 EHADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246408487 1124458392 /nfs/dbraw/zinc/45/83/92/1124458392.db2.gz BJZFTADXFGMMSL-YJBOKZPZSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246408487 1124458397 /nfs/dbraw/zinc/45/83/97/1124458397.db2.gz BJZFTADXFGMMSL-YJBOKZPZSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246408487 1124458402 /nfs/dbraw/zinc/45/84/02/1124458402.db2.gz BJZFTADXFGMMSL-YJBOKZPZSA-N 2 1 336.426 3.737 20 0 EHADMP Clc1ccccc1OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246452805 1124470492 /nfs/dbraw/zinc/47/04/92/1124470492.db2.gz DYQKKGXPYPDGQO-YJBOKZPZSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246452805 1124470498 /nfs/dbraw/zinc/47/04/98/1124470498.db2.gz DYQKKGXPYPDGQO-YJBOKZPZSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246452805 1124470505 /nfs/dbraw/zinc/47/05/05/1124470505.db2.gz DYQKKGXPYPDGQO-YJBOKZPZSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246452805 1124470508 /nfs/dbraw/zinc/47/05/08/1124470508.db2.gz DYQKKGXPYPDGQO-YJBOKZPZSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246452805 1124470515 /nfs/dbraw/zinc/47/05/15/1124470515.db2.gz DYQKKGXPYPDGQO-YJBOKZPZSA-N 2 1 334.891 3.668 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000246497313 1124487652 /nfs/dbraw/zinc/48/76/52/1124487652.db2.gz SJHZZXLJVJMSHJ-IAGOWNOFSA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000246497313 1124487654 /nfs/dbraw/zinc/48/76/54/1124487654.db2.gz SJHZZXLJVJMSHJ-IAGOWNOFSA-N 2 1 334.504 3.722 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000246837852 1124556045 /nfs/dbraw/zinc/55/60/45/1124556045.db2.gz BKQFGSMJKOIFHO-IIAWOOMASA-N 2 1 344.421 3.754 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000246837852 1124556057 /nfs/dbraw/zinc/55/60/57/1124556057.db2.gz BKQFGSMJKOIFHO-IIAWOOMASA-N 2 1 344.421 3.754 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847346 1124557236 /nfs/dbraw/zinc/55/72/36/1124557236.db2.gz CKFMTBGBPVIMCC-FFZOFVMBSA-N 2 1 349.950 3.797 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000379843512 1124561836 /nfs/dbraw/zinc/56/18/36/1124561836.db2.gz HKGBRLJONACEGG-NJDAHSKKSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1CCOC1 ZINC000246948113 1124570043 /nfs/dbraw/zinc/57/00/43/1124570043.db2.gz HZJFCFJLPISCJC-NYUBLWNDSA-N 2 1 330.516 3.679 20 0 EHADMP COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000247112172 1124588299 /nfs/dbraw/zinc/58/82/99/1124588299.db2.gz TWVFEZNTPYRHCE-TXPKVOOTSA-N 2 1 346.515 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000247112172 1124588320 /nfs/dbraw/zinc/58/83/20/1124588320.db2.gz TWVFEZNTPYRHCE-TXPKVOOTSA-N 2 1 346.515 3.835 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)[C@@H](C)C1 ZINC000247138706 1124590934 /nfs/dbraw/zinc/59/09/34/1124590934.db2.gz VZSSMELFNALHBV-LPHOPBHVSA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)[C@@H](C)C1 ZINC000247138706 1124590943 /nfs/dbraw/zinc/59/09/43/1124590943.db2.gz VZSSMELFNALHBV-LPHOPBHVSA-N 2 1 346.515 3.837 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccc(Br)c21 ZINC000248135981 1124642549 /nfs/dbraw/zinc/64/25/49/1124642549.db2.gz PBVUEYMBMIRPCU-IOASZLSFSA-N 2 1 337.305 3.929 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248394714 1124655847 /nfs/dbraw/zinc/65/58/47/1124655847.db2.gz FUKQKQKHRNXPRP-NJDAHSKKSA-N 2 1 344.543 3.675 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000249170376 1124743993 /nfs/dbraw/zinc/74/39/93/1124743993.db2.gz BAFOLVCPHJBEDW-NHCUHLMSSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249195567 1124744419 /nfs/dbraw/zinc/74/44/19/1124744419.db2.gz QQRJRBSOBHAXSB-PKOBYXMFSA-N 2 1 326.488 3.601 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000249195567 1124744427 /nfs/dbraw/zinc/74/44/27/1124744427.db2.gz QQRJRBSOBHAXSB-PKOBYXMFSA-N 2 1 326.488 3.601 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000249299181 1124751507 /nfs/dbraw/zinc/75/15/07/1124751507.db2.gz RUGDMXCIUXPZBV-ZBFHGGJFSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1ccccc1C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595075 1124824865 /nfs/dbraw/zinc/82/48/65/1124824865.db2.gz DVOXCVQXBNUFLP-IBGZPJMESA-N 2 1 330.516 3.551 20 0 EHADMP Fc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000449108644 1124947416 /nfs/dbraw/zinc/94/74/16/1124947416.db2.gz VGLGYJIPOFVRLM-UHFFFAOYSA-N 2 1 327.447 3.887 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043446 1125020286 /nfs/dbraw/zinc/02/02/86/1125020286.db2.gz FUOVXQCDCSMERT-RTWAWAEBSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043446 1125020292 /nfs/dbraw/zinc/02/02/92/1125020292.db2.gz FUOVXQCDCSMERT-RTWAWAEBSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043446 1125020300 /nfs/dbraw/zinc/02/03/00/1125020300.db2.gz FUOVXQCDCSMERT-RTWAWAEBSA-N 2 1 343.559 3.561 20 0 EHADMP CCC[N@H+](Cc1ccc(Br)cc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236843421 1125044127 /nfs/dbraw/zinc/04/41/27/1125044127.db2.gz NYZIYHWFWRONFM-CQSZACIVSA-N 2 1 339.321 3.833 20 0 EHADMP CCC[N@H+](Cc1c(C)cc(Br)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236845096 1125049904 /nfs/dbraw/zinc/04/99/04/1125049904.db2.gz YRRRQSFFKCBENU-OAHLLOKOSA-N 2 1 339.321 3.887 20 0 EHADMP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765977573 1129368292 /nfs/dbraw/zinc/36/82/92/1129368292.db2.gz QQKBYRRQQFJECT-UWJYYQICSA-N 2 1 330.516 3.933 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc4ccccc43)cc2)C1 ZINC000657593139 1129441563 /nfs/dbraw/zinc/44/15/63/1129441563.db2.gz DTFMUNQUFXEXFR-QFIPXVFZSA-N 2 1 346.474 3.696 20 0 EHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C/C(C)=C\c3ccccc3)C2)[C@H]1C(C)C ZINC000922392770 1129517808 /nfs/dbraw/zinc/51/78/08/1129517808.db2.gz NWUDGOHDUHZMHT-LBTKCXQVSA-N 2 1 342.527 3.549 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC000922806217 1129677136 /nfs/dbraw/zinc/67/71/36/1129677136.db2.gz UFWFIURATCIOHU-HXUWFJFHSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc2ccccc21 ZINC000282387094 1129680123 /nfs/dbraw/zinc/68/01/23/1129680123.db2.gz QXWIJXSRBQEOIY-QGZVFWFLSA-N 2 1 325.500 3.516 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664124 1129712707 /nfs/dbraw/zinc/71/27/07/1129712707.db2.gz MKFXJUWTCJONLA-ZCNNSNEGSA-N 2 1 330.516 3.834 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390664124 1129712709 /nfs/dbraw/zinc/71/27/09/1129712709.db2.gz MKFXJUWTCJONLA-ZCNNSNEGSA-N 2 1 330.516 3.834 20 0 EHADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000310784243 1129932493 /nfs/dbraw/zinc/93/24/93/1129932493.db2.gz CEUDBNFXZMAMIZ-APWZRJJASA-N 2 1 342.458 3.835 20 0 EHADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000310784243 1129932497 /nfs/dbraw/zinc/93/24/97/1129932497.db2.gz CEUDBNFXZMAMIZ-APWZRJJASA-N 2 1 342.458 3.835 20 0 EHADMP C[C@H]1C[C@@H](NCc2n[nH]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335881 1130067542 /nfs/dbraw/zinc/06/75/42/1130067542.db2.gz RRWTWPNDRUSLGJ-WMZOPIPTSA-N 2 1 334.467 3.706 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123753 1130357577 /nfs/dbraw/zinc/35/75/77/1130357577.db2.gz RPERDKTWALRHGQ-GOEBONIOSA-N 2 1 326.456 3.917 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123753 1130357583 /nfs/dbraw/zinc/35/75/83/1130357583.db2.gz RPERDKTWALRHGQ-GOEBONIOSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123753 1130357587 /nfs/dbraw/zinc/35/75/87/1130357587.db2.gz RPERDKTWALRHGQ-GOEBONIOSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000766123753 1130357594 /nfs/dbraw/zinc/35/75/94/1130357594.db2.gz RPERDKTWALRHGQ-GOEBONIOSA-N 2 1 326.456 3.917 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000658324103 1130385678 /nfs/dbraw/zinc/38/56/78/1130385678.db2.gz ZRRJPBPJRPUQRH-AWEZNQCLSA-N 2 1 349.425 3.772 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779833 1130472276 /nfs/dbraw/zinc/47/22/76/1130472276.db2.gz JOKWUIZTIWJHLV-WMZHIEFXSA-N 2 1 349.522 3.502 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779833 1130472280 /nfs/dbraw/zinc/47/22/80/1130472280.db2.gz JOKWUIZTIWJHLV-WMZHIEFXSA-N 2 1 349.522 3.502 20 0 EHADMP Brc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166685303 1130595849 /nfs/dbraw/zinc/59/58/49/1130595849.db2.gz VXBPMAZCOABUQR-LSDHHAIUSA-N 2 1 349.316 3.697 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166700190 1130595991 /nfs/dbraw/zinc/59/59/91/1130595991.db2.gz GIRCHNBFHMBRAS-HZPDHXFCSA-N 3 1 326.488 3.562 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000180120116 1131642534 /nfs/dbraw/zinc/64/25/34/1131642534.db2.gz YBVUYWBDMMXVJH-HOTGVXAUSA-N 2 1 326.488 3.801 20 0 EHADMP CCOCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172426033 1131724042 /nfs/dbraw/zinc/72/40/42/1131724042.db2.gz GOUYHJUTZBWEHQ-FPOVZHCZSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172426033 1131724049 /nfs/dbraw/zinc/72/40/49/1131724049.db2.gz GOUYHJUTZBWEHQ-FPOVZHCZSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172426033 1131724055 /nfs/dbraw/zinc/72/40/55/1131724055.db2.gz GOUYHJUTZBWEHQ-FPOVZHCZSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172573044 1131778388 /nfs/dbraw/zinc/77/83/88/1131778388.db2.gz VQJJVTIENSXDJQ-MJBXVCDLSA-N 2 1 342.861 3.823 20 0 EHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172606292 1131788489 /nfs/dbraw/zinc/78/84/89/1131788489.db2.gz UAMNLPJRYXQINA-CAMMJAKZSA-N 2 1 336.520 3.623 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C2CCOCC2)CC1 ZINC001172712893 1131835359 /nfs/dbraw/zinc/83/53/59/1131835359.db2.gz QLUSIVFUIJGSSG-QWFCFKBJSA-N 2 1 348.918 3.558 20 0 EHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778488 1131844224 /nfs/dbraw/zinc/84/42/24/1131844224.db2.gz MPSWXUVABRWPDN-XSLAGTTESA-N 2 1 338.536 3.726 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(c3cccc(F)c3)CC1)CC2 ZINC001172827921 1131854578 /nfs/dbraw/zinc/85/45/78/1131854578.db2.gz GFQHMXMJOCJYBS-OAQYLSRUSA-N 2 1 338.470 3.941 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172918527 1131903813 /nfs/dbraw/zinc/90/38/13/1131903813.db2.gz RVTLJZHDTNICMJ-WHZJULEDSA-N 2 1 328.500 3.729 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172920462 1131905891 /nfs/dbraw/zinc/90/58/91/1131905891.db2.gz RVTLJZHDTNICMJ-FCMAGTKHSA-N 2 1 328.500 3.729 20 0 EHADMP CO[C@H]1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001172938076 1131911232 /nfs/dbraw/zinc/91/12/32/1131911232.db2.gz JMVNGCLXZKWACK-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001172949555 1131926473 /nfs/dbraw/zinc/92/64/73/1131926473.db2.gz HNXXXPMMWGIOHJ-YUMYIRISSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001172949555 1131926479 /nfs/dbraw/zinc/92/64/79/1131926479.db2.gz HNXXXPMMWGIOHJ-YUMYIRISSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001172949555 1131926482 /nfs/dbraw/zinc/92/64/82/1131926482.db2.gz HNXXXPMMWGIOHJ-YUMYIRISSA-N 2 1 342.527 3.788 20 0 EHADMP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173086171 1131963917 /nfs/dbraw/zinc/96/39/17/1131963917.db2.gz RGRJAGMVJMETAZ-CQSZACIVSA-N 2 1 344.421 3.932 20 0 EHADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173086171 1131963922 /nfs/dbraw/zinc/96/39/22/1131963922.db2.gz RGRJAGMVJMETAZ-CQSZACIVSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+](CC)C1CCC(N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)CC1 ZINC001173117421 1131972669 /nfs/dbraw/zinc/97/26/69/1131972669.db2.gz KUMCFIDDTQFUDL-HDYDNRTBSA-N 2 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CCN(C3CCCCC3)[C@@H](C)C2)CC1 ZINC001173117421 1131972675 /nfs/dbraw/zinc/97/26/75/1131972675.db2.gz KUMCFIDDTQFUDL-HDYDNRTBSA-N 2 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C3CCCCC3)[C@@H](C)C2)CC1 ZINC001173117421 1131972681 /nfs/dbraw/zinc/97/26/81/1131972681.db2.gz KUMCFIDDTQFUDL-HDYDNRTBSA-N 2 1 335.580 3.978 20 0 EHADMP CCSC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306151 1132036673 /nfs/dbraw/zinc/03/66/73/1132036673.db2.gz MDLLPCIQVQUOQL-ZULIPRJHSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306151 1132036682 /nfs/dbraw/zinc/03/66/82/1132036682.db2.gz MDLLPCIQVQUOQL-ZULIPRJHSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306151 1132036689 /nfs/dbraw/zinc/03/66/89/1132036689.db2.gz MDLLPCIQVQUOQL-ZULIPRJHSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306151 1132036698 /nfs/dbraw/zinc/03/66/98/1132036698.db2.gz MDLLPCIQVQUOQL-ZULIPRJHSA-N 2 1 347.572 3.756 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001173278741 1132038586 /nfs/dbraw/zinc/03/85/86/1132038586.db2.gz IMEMTNYJZAJRSL-FPOVZHCZSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)C1 ZINC001173284637 1132043809 /nfs/dbraw/zinc/04/38/09/1132043809.db2.gz RGRWUOFWSVERCT-JXFKEZNVSA-N 2 1 344.499 3.606 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173657762 1132113180 /nfs/dbraw/zinc/11/31/80/1132113180.db2.gz LIBPYEWJPAURKK-UHFFFAOYSA-N 2 1 337.474 3.505 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cnn1-c1ccccc1 ZINC000766477752 1132555506 /nfs/dbraw/zinc/55/55/06/1132555506.db2.gz ITOSQDAEEGVTID-IEZWGBDMSA-N 2 1 326.488 3.704 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000509455342 1132570497 /nfs/dbraw/zinc/57/04/97/1132570497.db2.gz POJLDEJYVVMLQE-DFOOEPSASA-N 2 1 335.495 3.985 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000509455342 1132570505 /nfs/dbraw/zinc/57/05/05/1132570505.db2.gz POJLDEJYVVMLQE-DFOOEPSASA-N 2 1 335.495 3.985 20 0 EHADMP CCN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001168992603 1132626299 /nfs/dbraw/zinc/62/62/99/1132626299.db2.gz GMKCPQFJCPKGRC-KCZVDYSFSA-N 2 1 343.559 3.561 20 0 EHADMP CCN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001168992606 1132626392 /nfs/dbraw/zinc/62/63/92/1132626392.db2.gz GMKCPQFJCPKGRC-SJBKTWHCSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC(F)(F)F)cc1 ZINC001169099547 1132655483 /nfs/dbraw/zinc/65/54/83/1132655483.db2.gz BANSFUMEWPAQMZ-NGFQHRJXSA-N 2 1 328.378 3.861 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101241 1132655681 /nfs/dbraw/zinc/65/56/81/1132655681.db2.gz PSIXHDWWSGSBNW-YRPNKDGESA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1ccccc1Br)C2 ZINC001169099529 1132655798 /nfs/dbraw/zinc/65/57/98/1132655798.db2.gz ANJLNLBQHGMOIS-MUJYYYPQSA-N 2 1 337.305 3.597 20 0 EHADMP CC[C@@H]1CN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001169103166 1132656357 /nfs/dbraw/zinc/65/63/57/1132656357.db2.gz SXNOCHDGJMXIAI-JAXLGGSGSA-N 2 1 343.559 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3Br)C2 ZINC001169108092 1132669738 /nfs/dbraw/zinc/66/97/38/1132669738.db2.gz OIHCWTVJEYBQNS-KOFHJDLBSA-N 2 1 335.289 3.651 20 0 EHADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444647 1132671895 /nfs/dbraw/zinc/67/18/95/1132671895.db2.gz LTNZAFYXFNWIQN-FXAWDEMLSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444647 1132671899 /nfs/dbraw/zinc/67/18/99/1132671899.db2.gz LTNZAFYXFNWIQN-FXAWDEMLSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444647 1132671901 /nfs/dbraw/zinc/67/19/01/1132671901.db2.gz LTNZAFYXFNWIQN-FXAWDEMLSA-N 2 1 330.516 3.779 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001169115336 1132672657 /nfs/dbraw/zinc/67/26/57/1132672657.db2.gz IVROPHXSANRXFC-XLAORIBOSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)C2 ZINC001169114919 1132673028 /nfs/dbraw/zinc/67/30/28/1132673028.db2.gz ZSSDQVIDGJWBSF-WIYBCGNWSA-N 2 1 336.479 3.676 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)C2 ZINC001169114919 1132673031 /nfs/dbraw/zinc/67/30/31/1132673031.db2.gz ZSSDQVIDGJWBSF-WIYBCGNWSA-N 2 1 336.479 3.676 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169156444 1132680886 /nfs/dbraw/zinc/68/08/86/1132680886.db2.gz YIULAWMKTUBSNE-ZRNYENFQSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169156444 1132680888 /nfs/dbraw/zinc/68/08/88/1132680888.db2.gz YIULAWMKTUBSNE-ZRNYENFQSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169156444 1132680893 /nfs/dbraw/zinc/68/08/93/1132680893.db2.gz YIULAWMKTUBSNE-ZRNYENFQSA-N 2 1 328.500 3.575 20 0 EHADMP CC[NH+]1CCC(N([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001169261533 1132704255 /nfs/dbraw/zinc/70/42/55/1132704255.db2.gz JOKWJDPVPGNCFA-XMSQKQJNSA-N 2 1 341.543 3.628 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001175593127 1132706403 /nfs/dbraw/zinc/70/64/03/1132706403.db2.gz NJYQOQLSRGEOKM-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001175593127 1132706408 /nfs/dbraw/zinc/70/64/08/1132706408.db2.gz NJYQOQLSRGEOKM-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC(Oc3ccccc3OC(C)C)CC2)CC1 ZINC001169266411 1132706818 /nfs/dbraw/zinc/70/68/18/1132706818.db2.gz WICKDIHXZFADDB-UHFFFAOYSA-N 2 1 346.515 3.801 20 0 EHADMP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC001175759691 1132759463 /nfs/dbraw/zinc/75/94/63/1132759463.db2.gz ZHDAZWVEDBCSSJ-FQEVSTJZSA-N 2 1 330.516 3.841 20 0 EHADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2c3ccccc3n(C)c2-c2ccccc2)C1 ZINC001206276877 1132960058 /nfs/dbraw/zinc/96/00/58/1132960058.db2.gz KZMYLOODMAPUQZ-KRWDZBQOSA-N 2 1 333.479 3.887 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000767407800 1132992909 /nfs/dbraw/zinc/99/29/09/1132992909.db2.gz ZXBIVRZGBLXLNF-UHFFFAOYSA-N 2 1 341.499 3.572 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCNc1ccccc1 ZINC001177933242 1133117740 /nfs/dbraw/zinc/11/77/40/1133117740.db2.gz PPDWFILAKQRIJV-UHFFFAOYSA-N 2 1 325.500 3.846 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001178285892 1133153365 /nfs/dbraw/zinc/15/33/65/1133153365.db2.gz VIKVKMLWPDBSHI-ILWGZMRPSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001178285892 1133153369 /nfs/dbraw/zinc/15/33/69/1133153369.db2.gz VIKVKMLWPDBSHI-ILWGZMRPSA-N 2 1 335.495 3.780 20 0 EHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC001178970951 1133217316 /nfs/dbraw/zinc/21/73/16/1133217316.db2.gz AWYSQGNTWAKTDK-FVTFTPSCSA-N 2 1 344.543 3.939 20 0 EHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC001178970951 1133217324 /nfs/dbraw/zinc/21/73/24/1133217324.db2.gz AWYSQGNTWAKTDK-FVTFTPSCSA-N 2 1 344.543 3.939 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000769487354 1133289969 /nfs/dbraw/zinc/28/99/69/1133289969.db2.gz VVSCYBSTWDAIOT-UYAOXDASSA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000769487354 1133289973 /nfs/dbraw/zinc/28/99/73/1133289973.db2.gz VVSCYBSTWDAIOT-UYAOXDASSA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000769487354 1133289977 /nfs/dbraw/zinc/28/99/77/1133289977.db2.gz VVSCYBSTWDAIOT-UYAOXDASSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC001179989133 1133310645 /nfs/dbraw/zinc/31/06/45/1133310645.db2.gz LLAJCSVPWQZXJD-RTBURBONSA-N 2 1 341.543 3.554 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CC1(Cl)Cl ZINC000771452347 1133555265 /nfs/dbraw/zinc/55/52/65/1133555265.db2.gz NIHLVSSDEHBLJT-HNNXBMFYSA-N 2 1 342.314 3.814 20 0 EHADMP COC1CCC(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001183697064 1133843086 /nfs/dbraw/zinc/84/30/86/1133843086.db2.gz OQCSGIXYYLSKCR-JRRMTSHWSA-N 2 1 342.527 3.646 20 0 EHADMP COC1CCC(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001183697064 1133843090 /nfs/dbraw/zinc/84/30/90/1133843090.db2.gz OQCSGIXYYLSKCR-JRRMTSHWSA-N 2 1 342.527 3.646 20 0 EHADMP COC1CCC(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001183697064 1133843093 /nfs/dbraw/zinc/84/30/93/1133843093.db2.gz OQCSGIXYYLSKCR-JRRMTSHWSA-N 2 1 342.527 3.646 20 0 EHADMP BrC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001184116030 1133900035 /nfs/dbraw/zinc/90/00/35/1133900035.db2.gz SZVZWVCZCCIABN-ULQDDVLXSA-N 2 1 349.316 3.557 20 0 EHADMP CSC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001184265059 1133917790 /nfs/dbraw/zinc/91/77/90/1133917790.db2.gz OOZJVATYUITDRY-HUFQQLBRSA-N 2 1 330.541 3.771 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184387468 1133934013 /nfs/dbraw/zinc/93/40/13/1133934013.db2.gz KRXMODMSMREDEZ-QIJZBDPFSA-N 2 1 326.406 3.566 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788244594 1134098925 /nfs/dbraw/zinc/09/89/25/1134098925.db2.gz NTKYXVSBJSOVJC-SJORKVTESA-N 2 1 341.540 3.532 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)cc(Br)c1 ZINC000775005033 1134195731 /nfs/dbraw/zinc/19/57/31/1134195731.db2.gz DWSBLVAJVZYZMA-UHFFFAOYSA-N 2 1 336.277 3.832 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)cn1 ZINC000775377269 1134691397 /nfs/dbraw/zinc/69/13/97/1134691397.db2.gz WNURMVDBVHNCFZ-QVKFZJNVSA-N 2 1 332.451 3.989 20 0 EHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238990 1134718766 /nfs/dbraw/zinc/71/87/66/1134718766.db2.gz LQVODKDUYAJOGC-BHDDXSALSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238990 1134718771 /nfs/dbraw/zinc/71/87/71/1134718771.db2.gz LQVODKDUYAJOGC-BHDDXSALSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238990 1134718774 /nfs/dbraw/zinc/71/87/74/1134718774.db2.gz LQVODKDUYAJOGC-BHDDXSALSA-N 2 1 342.527 3.932 20 0 EHADMP C[N@@H+](CCOC1CCCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191233930 1134832378 /nfs/dbraw/zinc/83/23/78/1134832378.db2.gz RGFYHMJNMOTXKN-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP C[NH+](CCOC1CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191233930 1134832381 /nfs/dbraw/zinc/83/23/81/1134832381.db2.gz RGFYHMJNMOTXKN-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP C[NH+](CCOC1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191233930 1134832387 /nfs/dbraw/zinc/83/23/87/1134832387.db2.gz RGFYHMJNMOTXKN-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000793526385 1134948060 /nfs/dbraw/zinc/94/80/60/1134948060.db2.gz RHMNBAWWDQBEIU-AEFFLSMTSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000793538275 1134950550 /nfs/dbraw/zinc/95/05/50/1134950550.db2.gz BKBPYRPNNYXKCI-FCHUYYIVSA-N 2 1 342.527 3.549 20 0 EHADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001192674181 1135044145 /nfs/dbraw/zinc/04/41/45/1135044145.db2.gz XPSGJZSGYJNYHS-YADHBBJMSA-N 2 1 340.511 3.651 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001192674181 1135044149 /nfs/dbraw/zinc/04/41/49/1135044149.db2.gz XPSGJZSGYJNYHS-YADHBBJMSA-N 2 1 340.511 3.651 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)cc1Br ZINC001205627185 1135120818 /nfs/dbraw/zinc/12/08/18/1135120818.db2.gz NRTXWEOPRVUCDD-AAEUAGOBSA-N 2 1 343.284 3.703 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205626544 1135121008 /nfs/dbraw/zinc/12/10/08/1135121008.db2.gz HBVWJMFIOHYBAT-KBPBESRZSA-N 2 1 325.294 3.564 20 0 EHADMP CCc1sc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205638005 1135153307 /nfs/dbraw/zinc/15/33/07/1135153307.db2.gz KILBICYGZLQWRW-NEPJUHHUSA-N 2 1 345.350 3.880 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC1(Cl)Cl ZINC000775692112 1135531385 /nfs/dbraw/zinc/53/13/85/1135531385.db2.gz YDGTWSZUMQOFBC-BMFZPTHFSA-N 2 1 327.299 3.680 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC[C@H](O)c2ccccc2)CC1 ZINC001196936140 1135631501 /nfs/dbraw/zinc/63/15/01/1135631501.db2.gz QDOSKBKAVHKERQ-SFTDATJTSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368873 1135685709 /nfs/dbraw/zinc/68/57/09/1135685709.db2.gz OENFGDFIQLVSMK-GOSISDBHSA-N 2 1 331.463 3.988 20 0 EHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000104084777 1135752867 /nfs/dbraw/zinc/75/28/67/1135752867.db2.gz AIABHZNIGCNPFQ-UHFFFAOYSA-N 2 1 346.906 3.608 20 0 EHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000104084777 1135752871 /nfs/dbraw/zinc/75/28/71/1135752871.db2.gz AIABHZNIGCNPFQ-UHFFFAOYSA-N 2 1 346.906 3.608 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000809739107 1135883552 /nfs/dbraw/zinc/88/35/52/1135883552.db2.gz XPAZNOWYJJGBIB-UHFFFAOYSA-N 2 1 344.886 3.969 20 0 EHADMP CCOc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000809738934 1135883651 /nfs/dbraw/zinc/88/36/51/1135883651.db2.gz PTIPYPYWSHXYBU-UHFFFAOYSA-N 2 1 342.483 3.788 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809747950 1135885114 /nfs/dbraw/zinc/88/51/14/1135885114.db2.gz XUUCEPICIIMVPK-NRFANRHFSA-N 2 1 340.511 3.858 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)cc(Br)c1 ZINC000809752464 1135885544 /nfs/dbraw/zinc/88/55/44/1135885544.db2.gz DECMHUIUKLMGQO-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)cc(Br)c1 ZINC000809752464 1135885545 /nfs/dbraw/zinc/88/55/45/1135885545.db2.gz DECMHUIUKLMGQO-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP C[NH+](C)[C@H](CNc1ccnc(C[NH3+])c1)c1ccc(Cl)cc1Cl ZINC001170589610 1135901847 /nfs/dbraw/zinc/90/18/47/1135901847.db2.gz ORJSACNVUKBZEL-MRXNPFEDSA-N 2 1 339.270 3.562 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)C1 ZINC001199743459 1135925730 /nfs/dbraw/zinc/92/57/30/1135925730.db2.gz VTQXFNNUOSDPHZ-WMZOPIPTSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC001199760136 1135927112 /nfs/dbraw/zinc/92/71/12/1135927112.db2.gz NVHOGCOXOSUSBZ-KSZLIROESA-N 2 1 330.516 3.899 20 0 EHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCCOC1 ZINC000780739602 1135931543 /nfs/dbraw/zinc/93/15/43/1135931543.db2.gz KLDNBVWNZYNCJR-HKUYNNGSSA-N 2 1 345.531 3.692 20 0 EHADMP c1csc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC001200921533 1135965882 /nfs/dbraw/zinc/96/58/82/1135965882.db2.gz IOZKKLKTODQYGU-UHFFFAOYSA-N 2 1 330.501 3.635 20 0 EHADMP CCC(CC)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201526328 1136038279 /nfs/dbraw/zinc/03/82/79/1136038279.db2.gz XGYKZXRPRYUBPN-HXUWFJFHSA-N 2 1 345.531 3.573 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1C[NH+]1CCCCC1 ZINC000854223999 1136599595 /nfs/dbraw/zinc/59/95/95/1136599595.db2.gz UPFVNCGTWWLLCE-QGZVFWFLSA-N 3 1 345.531 3.603 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(C)(C)C3CC3)C2)ccn1 ZINC000856583957 1136797606 /nfs/dbraw/zinc/79/76/06/1136797606.db2.gz VFZKQXADBKHWCI-HXUWFJFHSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(C)(C)C3CC3)C2)ccn1 ZINC000856583957 1136797608 /nfs/dbraw/zinc/79/76/08/1136797608.db2.gz VFZKQXADBKHWCI-HXUWFJFHSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(C)(C)C3CC3)C2)ccn1 ZINC000856583957 1136797610 /nfs/dbraw/zinc/79/76/10/1136797610.db2.gz VFZKQXADBKHWCI-HXUWFJFHSA-N 2 1 345.531 3.813 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000173359995 1136839901 /nfs/dbraw/zinc/83/99/01/1136839901.db2.gz NBNVZPKOUSZZLK-ZNMIVQPWSA-N 2 1 326.431 3.505 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000817905515 1136845008 /nfs/dbraw/zinc/84/50/08/1136845008.db2.gz JJLNBEWDSGTUCM-OAGGEKHMSA-N 2 1 337.250 3.761 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750386 1137072768 /nfs/dbraw/zinc/07/27/68/1137072768.db2.gz LDOFPRMQTMOXRW-JCURWCKSSA-N 2 1 345.314 3.689 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750386 1137072769 /nfs/dbraw/zinc/07/27/69/1137072769.db2.gz LDOFPRMQTMOXRW-JCURWCKSSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750386 1137072771 /nfs/dbraw/zinc/07/27/71/1137072771.db2.gz LDOFPRMQTMOXRW-JCURWCKSSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822750386 1137072773 /nfs/dbraw/zinc/07/27/73/1137072773.db2.gz LDOFPRMQTMOXRW-JCURWCKSSA-N 2 1 345.314 3.689 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000823825513 1137114562 /nfs/dbraw/zinc/11/45/62/1137114562.db2.gz QULNELLEPDDIGV-PMACEKPBSA-N 2 1 336.479 3.615 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000823825513 1137114564 /nfs/dbraw/zinc/11/45/64/1137114564.db2.gz QULNELLEPDDIGV-PMACEKPBSA-N 2 1 336.479 3.615 20 0 EHADMP Cc1ncc(CN(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)n1C ZINC000824912867 1137156503 /nfs/dbraw/zinc/15/65/03/1137156503.db2.gz BSRLSILGMCNDQD-QFIPXVFZSA-N 2 1 349.478 3.773 20 0 EHADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1C(F)(F)F ZINC001143351464 1137181601 /nfs/dbraw/zinc/18/16/01/1137181601.db2.gz YQCYQWLBVKAXBF-UHFFFAOYSA-N 2 1 330.394 3.632 20 0 EHADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1C(F)(F)F ZINC001143351464 1137181602 /nfs/dbraw/zinc/18/16/02/1137181602.db2.gz YQCYQWLBVKAXBF-UHFFFAOYSA-N 2 1 330.394 3.632 20 0 EHADMP CN1CCC([N@@H+](C)Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143357072 1137181828 /nfs/dbraw/zinc/18/18/28/1137181828.db2.gz RQJVMXPYDDJPEF-UHFFFAOYSA-N 2 1 336.785 3.765 20 0 EHADMP CN(Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143357072 1137181829 /nfs/dbraw/zinc/18/18/29/1137181829.db2.gz RQJVMXPYDDJPEF-UHFFFAOYSA-N 2 1 336.785 3.765 20 0 EHADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222453 1137203586 /nfs/dbraw/zinc/20/35/86/1137203586.db2.gz FIPUFIHWYTXUMX-RTBURBONSA-N 2 1 341.499 3.970 20 0 EHADMP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222453 1137203588 /nfs/dbraw/zinc/20/35/88/1137203588.db2.gz FIPUFIHWYTXUMX-RTBURBONSA-N 2 1 341.499 3.970 20 0 EHADMP COc1ccc(F)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1F ZINC001143978046 1137223682 /nfs/dbraw/zinc/22/36/82/1137223682.db2.gz MMRMZKOMWRXZTF-UHFFFAOYSA-N 2 1 338.442 3.527 20 0 EHADMP O[C@@H](c1ccccc1)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000794682434 1137226189 /nfs/dbraw/zinc/22/61/89/1137226189.db2.gz DPMLFWHCENPCTC-YADHBBJMSA-N 2 1 338.495 3.927 20 0 EHADMP CCC(=O)Nc1cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)cc[nH+]1 ZINC001171167384 1137278143 /nfs/dbraw/zinc/27/81/43/1137278143.db2.gz JTERKLQLAYMJJY-CQSZACIVSA-N 2 1 336.439 3.572 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccnc2Br)c1 ZINC000865451666 1137284897 /nfs/dbraw/zinc/28/48/97/1137284897.db2.gz WCUBAIHIDCFQDQ-UHFFFAOYSA-N 2 1 348.288 3.586 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccnc2Br)c1 ZINC000865451666 1137284899 /nfs/dbraw/zinc/28/48/99/1137284899.db2.gz WCUBAIHIDCFQDQ-UHFFFAOYSA-N 2 1 348.288 3.586 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000865479875 1137287478 /nfs/dbraw/zinc/28/74/78/1137287478.db2.gz FUXGZLJZSUJUOR-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878061 1137318562 /nfs/dbraw/zinc/31/85/62/1137318562.db2.gz YKELYLFCWQFDHE-LEWJYISDSA-N 2 1 342.527 3.714 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878061 1137318563 /nfs/dbraw/zinc/31/85/63/1137318563.db2.gz YKELYLFCWQFDHE-LEWJYISDSA-N 2 1 342.527 3.714 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000866230049 1137336900 /nfs/dbraw/zinc/33/69/00/1137336900.db2.gz WBAMWUUWAOETDI-IBGZPJMESA-N 2 1 337.511 3.699 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866240408 1137338101 /nfs/dbraw/zinc/33/81/01/1137338101.db2.gz DZQDQVLILRUUTE-QZTJIDSGSA-N 2 1 325.500 3.877 20 0 EHADMP CCc1noc(C)c1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866412176 1137352746 /nfs/dbraw/zinc/35/27/46/1137352746.db2.gz APYHVMWNAILNMK-BXWFABGCSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866412176 1137352748 /nfs/dbraw/zinc/35/27/48/1137352748.db2.gz APYHVMWNAILNMK-BXWFABGCSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866412176 1137352750 /nfs/dbraw/zinc/35/27/50/1137352750.db2.gz APYHVMWNAILNMK-BXWFABGCSA-N 2 1 341.499 3.964 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1 ZINC000866426010 1137353806 /nfs/dbraw/zinc/35/38/06/1137353806.db2.gz QNGZIGXZBZKEMI-HOTGVXAUSA-N 2 1 343.471 3.621 20 0 EHADMP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000866468146 1137357198 /nfs/dbraw/zinc/35/71/98/1137357198.db2.gz BNIZBYPOUPCEPD-IBGZPJMESA-N 2 1 344.478 3.738 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)F ZINC000866506236 1137359469 /nfs/dbraw/zinc/35/94/69/1137359469.db2.gz GHJLAJAKTZXWJL-OAHLLOKOSA-N 2 1 336.442 3.588 20 0 EHADMP Cc1nccn1-c1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cn1 ZINC000121110431 1137361078 /nfs/dbraw/zinc/36/10/78/1137361078.db2.gz UQIZGXDKZHXBLX-SFHVURJKSA-N 2 1 340.377 3.631 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000866703206 1137374604 /nfs/dbraw/zinc/37/46/04/1137374604.db2.gz GLUGKKIEQCKMGB-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000866703206 1137374606 /nfs/dbraw/zinc/37/46/06/1137374606.db2.gz GLUGKKIEQCKMGB-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000866705198 1137374773 /nfs/dbraw/zinc/37/47/73/1137374773.db2.gz VKGUDIYNSUTLOB-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000866705198 1137374775 /nfs/dbraw/zinc/37/47/75/1137374775.db2.gz VKGUDIYNSUTLOB-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000866707492 1137375106 /nfs/dbraw/zinc/37/51/06/1137375106.db2.gz PABLGKBVBGPPJK-IBGZPJMESA-N 2 1 349.425 3.817 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000866707492 1137375108 /nfs/dbraw/zinc/37/51/08/1137375108.db2.gz PABLGKBVBGPPJK-IBGZPJMESA-N 2 1 349.425 3.817 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246800211 1137387127 /nfs/dbraw/zinc/38/71/27/1137387127.db2.gz WLNRTSKXEDRHTE-AWEZNQCLSA-N 2 1 339.321 3.702 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000716276443 1137487128 /nfs/dbraw/zinc/48/71/28/1137487128.db2.gz HGTLMKHUBMJTJV-FQEVSTJZSA-N 2 1 328.500 3.590 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc1C ZINC000716651547 1137488106 /nfs/dbraw/zinc/48/81/06/1137488106.db2.gz PUEKCGDQISJXHQ-NNWRFLSQSA-N 2 1 335.495 3.841 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1C ZINC000716651547 1137488108 /nfs/dbraw/zinc/48/81/08/1137488108.db2.gz PUEKCGDQISJXHQ-NNWRFLSQSA-N 2 1 335.495 3.841 20 0 EHADMP COC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000716678299 1137488200 /nfs/dbraw/zinc/48/82/00/1137488200.db2.gz JEYLXKVUIGLLJC-ZCNNSNEGSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1 ZINC000716709218 1137488699 /nfs/dbraw/zinc/48/86/99/1137488699.db2.gz RRSCHRCGKOIWHZ-BVSLBCMMSA-N 2 1 335.495 3.575 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1(C)C ZINC001171623521 1137501299 /nfs/dbraw/zinc/50/12/99/1137501299.db2.gz BJGJMZPXFQSIFK-UHFFFAOYSA-N 2 1 347.591 3.867 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1(C)C ZINC001171623521 1137501300 /nfs/dbraw/zinc/50/13/00/1137501300.db2.gz BJGJMZPXFQSIFK-UHFFFAOYSA-N 2 1 347.591 3.867 20 0 EHADMP CCOC(=O)c1csc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171626302 1137501439 /nfs/dbraw/zinc/50/14/39/1137501439.db2.gz XHBNYGMETBUWID-UHFFFAOYSA-N 2 1 338.517 3.666 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)C2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]1 ZINC001171641217 1137504861 /nfs/dbraw/zinc/50/48/61/1137504861.db2.gz NNTGLYAANPXQML-UHFFFAOYSA-N 3 1 344.547 3.600 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+](Cc2ccccc2)CC(C)(C)O)CC1(C)C ZINC001171643486 1137505068 /nfs/dbraw/zinc/50/50/68/1137505068.db2.gz VPRISEMQZNIXAS-UHFFFAOYSA-N 2 1 332.532 3.911 20 0 EHADMP COC(=O)c1cccc(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171644042 1137505209 /nfs/dbraw/zinc/50/52/09/1137505209.db2.gz ZQCCKJUPRQRMQZ-UHFFFAOYSA-N 2 1 332.488 3.556 20 0 EHADMP COC(=O)c1cccc(C[N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171644042 1137505210 /nfs/dbraw/zinc/50/52/10/1137505210.db2.gz ZQCCKJUPRQRMQZ-UHFFFAOYSA-N 2 1 332.488 3.556 20 0 EHADMP C[C@H]1C[C@H](N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171747080 1137507999 /nfs/dbraw/zinc/50/79/99/1137507999.db2.gz WMNORISLCXSXMX-UGKGYDQZSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171754286 1137508495 /nfs/dbraw/zinc/50/84/95/1137508495.db2.gz BLZQKOBGHGBESQ-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001171754286 1137508496 /nfs/dbraw/zinc/50/84/96/1137508496.db2.gz BLZQKOBGHGBESQ-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754286 1137508497 /nfs/dbraw/zinc/50/84/97/1137508497.db2.gz BLZQKOBGHGBESQ-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754286 1137508498 /nfs/dbraw/zinc/50/84/98/1137508498.db2.gz BLZQKOBGHGBESQ-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001171920918 1137517084 /nfs/dbraw/zinc/51/70/84/1137517084.db2.gz DMLGBVQACZZADP-FCCDEINASA-N 2 1 338.536 3.595 20 0 EHADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171962713 1137520096 /nfs/dbraw/zinc/52/00/96/1137520096.db2.gz CMLRSVDLHOHHAW-HXUWFJFHSA-N 2 1 331.548 3.751 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962713 1137520098 /nfs/dbraw/zinc/52/00/98/1137520098.db2.gz CMLRSVDLHOHHAW-HXUWFJFHSA-N 2 1 331.548 3.751 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962713 1137520099 /nfs/dbraw/zinc/52/00/99/1137520099.db2.gz CMLRSVDLHOHHAW-HXUWFJFHSA-N 2 1 331.548 3.751 20 0 EHADMP C[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171967831 1137520624 /nfs/dbraw/zinc/52/06/24/1137520624.db2.gz NNOVJHINXDMKFI-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967831 1137520625 /nfs/dbraw/zinc/52/06/25/1137520625.db2.gz NNOVJHINXDMKFI-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967831 1137520626 /nfs/dbraw/zinc/52/06/26/1137520626.db2.gz NNOVJHINXDMKFI-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967831 1137520627 /nfs/dbraw/zinc/52/06/27/1137520627.db2.gz NNOVJHINXDMKFI-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967831 1137520628 /nfs/dbraw/zinc/52/06/28/1137520628.db2.gz NNOVJHINXDMKFI-UXHICEINSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC001171982683 1137526513 /nfs/dbraw/zinc/52/65/13/1137526513.db2.gz JRMDBHSEOILXNY-HXUWFJFHSA-N 2 1 338.495 3.968 20 0 EHADMP CC1(C)C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CC[N@H+]1Cc1ccccc1 ZINC001171983164 1137526788 /nfs/dbraw/zinc/52/67/88/1137526788.db2.gz NEVYWFUFRMAKKX-HXUWFJFHSA-N 3 1 341.543 3.505 20 0 EHADMP CC1(C)C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CCN1Cc1ccccc1 ZINC001171983164 1137526789 /nfs/dbraw/zinc/52/67/89/1137526789.db2.gz NEVYWFUFRMAKKX-HXUWFJFHSA-N 2 1 341.543 3.505 20 0 EHADMP CC[N@H+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076900 1137530459 /nfs/dbraw/zinc/53/04/59/1137530459.db2.gz AUQVGUYWGIBYTM-PMOLBWCYSA-N 2 1 330.516 3.665 20 0 EHADMP CC[N@@H+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076900 1137530460 /nfs/dbraw/zinc/53/04/60/1137530460.db2.gz AUQVGUYWGIBYTM-PMOLBWCYSA-N 2 1 330.516 3.665 20 0 EHADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076900 1137530461 /nfs/dbraw/zinc/53/04/61/1137530461.db2.gz AUQVGUYWGIBYTM-PMOLBWCYSA-N 2 1 330.516 3.665 20 0 EHADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076900 1137530462 /nfs/dbraw/zinc/53/04/62/1137530462.db2.gz AUQVGUYWGIBYTM-PMOLBWCYSA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)[C@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083342 1137531654 /nfs/dbraw/zinc/53/16/54/1137531654.db2.gz PIUIDUFRZRLELF-CLAROIROSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083342 1137531656 /nfs/dbraw/zinc/53/16/56/1137531656.db2.gz PIUIDUFRZRLELF-CLAROIROSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083342 1137531658 /nfs/dbraw/zinc/53/16/58/1137531658.db2.gz PIUIDUFRZRLELF-CLAROIROSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083342 1137531660 /nfs/dbraw/zinc/53/16/60/1137531660.db2.gz PIUIDUFRZRLELF-CLAROIROSA-N 2 1 342.527 3.929 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172100503 1137532986 /nfs/dbraw/zinc/53/29/86/1137532986.db2.gz CWJUISWQZNOSBK-DKUWSORSSA-N 3 1 341.543 3.504 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172100503 1137532987 /nfs/dbraw/zinc/53/29/87/1137532987.db2.gz CWJUISWQZNOSBK-DKUWSORSSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH+]1CCCC1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062704 1137533160 /nfs/dbraw/zinc/53/31/60/1137533160.db2.gz QUULFEXRMZYQMW-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172066567 1137533434 /nfs/dbraw/zinc/53/34/34/1137533434.db2.gz ZUCVNYGFIIINJE-MYGLTJDJSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066567 1137533436 /nfs/dbraw/zinc/53/34/36/1137533436.db2.gz ZUCVNYGFIIINJE-MYGLTJDJSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066567 1137533438 /nfs/dbraw/zinc/53/34/38/1137533438.db2.gz ZUCVNYGFIIINJE-MYGLTJDJSA-N 2 1 341.543 3.644 20 0 EHADMP FC(F)(F)OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066356 1137533549 /nfs/dbraw/zinc/53/35/49/1137533549.db2.gz WBJYZIFUBOGEFX-OSYLJGHBSA-N 2 1 342.405 3.698 20 0 EHADMP C[C@@]1(O)CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067235 1137533789 /nfs/dbraw/zinc/53/37/89/1137533789.db2.gz LYDNJSOCXCTAGT-HRMJIJJXSA-N 2 1 342.527 3.855 20 0 EHADMP C[N@H+]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172066148 1137533822 /nfs/dbraw/zinc/53/38/22/1137533822.db2.gz UFHQZIIMAPVANS-MYGLTJDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066148 1137533823 /nfs/dbraw/zinc/53/38/23/1137533823.db2.gz UFHQZIIMAPVANS-MYGLTJDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066148 1137533825 /nfs/dbraw/zinc/53/38/25/1137533825.db2.gz UFHQZIIMAPVANS-MYGLTJDJSA-N 2 1 341.543 3.646 20 0 EHADMP COC(=O)CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067621 1137534040 /nfs/dbraw/zinc/53/40/40/1137534040.db2.gz QSCZIZPOLKMSMK-OWZKRDHZSA-N 2 1 344.499 3.505 20 0 EHADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068115 1137534086 /nfs/dbraw/zinc/53/40/86/1137534086.db2.gz HMJGLKVTZKWVPP-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068115 1137534088 /nfs/dbraw/zinc/53/40/88/1137534088.db2.gz HMJGLKVTZKWVPP-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068115 1137534090 /nfs/dbraw/zinc/53/40/90/1137534090.db2.gz HMJGLKVTZKWVPP-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068115 1137534091 /nfs/dbraw/zinc/53/40/91/1137534091.db2.gz HMJGLKVTZKWVPP-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](NCCC[NH+]2CCCC2)C3)cc1 ZINC001172069313 1137534218 /nfs/dbraw/zinc/53/42/18/1137534218.db2.gz SXLGSFKSKPCDHI-KOUNCHBCSA-N 2 1 341.543 3.648 20 0 EHADMP CC[NH+](CC)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068364 1137534537 /nfs/dbraw/zinc/53/45/37/1137534537.db2.gz QIHGIMGRCWQXRY-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001172107008 1137537017 /nfs/dbraw/zinc/53/70/17/1137537017.db2.gz RYKNFSARGIOCMT-QKDCVEJESA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001172107008 1137537018 /nfs/dbraw/zinc/53/70/18/1137537018.db2.gz RYKNFSARGIOCMT-QKDCVEJESA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3ccc(Cl)cc31)C2 ZINC001172112299 1137537602 /nfs/dbraw/zinc/53/76/02/1137537602.db2.gz UIUJXWHIJCQPDZ-BJWYYQGGSA-N 2 1 331.891 3.984 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172112046 1137537807 /nfs/dbraw/zinc/53/78/07/1137537807.db2.gz ZQJUJYRPMDSYEA-WKCHPHFGSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113810 1137537880 /nfs/dbraw/zinc/53/78/80/1137537880.db2.gz MODLEHXTNQPETP-VOFPXKNKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113810 1137537882 /nfs/dbraw/zinc/53/78/82/1137537882.db2.gz MODLEHXTNQPETP-VOFPXKNKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113810 1137537884 /nfs/dbraw/zinc/53/78/84/1137537884.db2.gz MODLEHXTNQPETP-VOFPXKNKSA-N 2 1 341.543 3.502 20 0 EHADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172121118 1137538200 /nfs/dbraw/zinc/53/82/00/1137538200.db2.gz CSNGTBWOZWSVAZ-DMUMMCEESA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172121118 1137538202 /nfs/dbraw/zinc/53/82/02/1137538202.db2.gz CSNGTBWOZWSVAZ-DMUMMCEESA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172121118 1137538203 /nfs/dbraw/zinc/53/82/03/1137538203.db2.gz CSNGTBWOZWSVAZ-DMUMMCEESA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172120246 1137538265 /nfs/dbraw/zinc/53/82/65/1137538265.db2.gz BPAVMVZZJOGMKW-PIIMJCKOSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172120246 1137538267 /nfs/dbraw/zinc/53/82/67/1137538267.db2.gz BPAVMVZZJOGMKW-PIIMJCKOSA-N 2 1 344.499 3.554 20 0 EHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172198218 1137543291 /nfs/dbraw/zinc/54/32/91/1137543291.db2.gz OGPSFHJGZIOJHG-INIZCTEOSA-N 2 1 342.483 3.793 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C[C@@H]1C ZINC001172373533 1137549290 /nfs/dbraw/zinc/54/92/90/1137549290.db2.gz AHYSHJZFRGRGAC-WSTZPKSXSA-N 2 1 344.547 3.675 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001172413261 1137556045 /nfs/dbraw/zinc/55/60/45/1137556045.db2.gz IMIVDHQGCJBYJN-CQSZACIVSA-N 2 1 344.421 3.770 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCn1cc[nH+]c1C)CCCC2 ZINC000872026011 1137565946 /nfs/dbraw/zinc/56/59/46/1137565946.db2.gz XQXHXCQKPRKIHA-GOSISDBHSA-N 2 1 343.471 3.656 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCOC1 ZINC000872090668 1137570679 /nfs/dbraw/zinc/57/06/79/1137570679.db2.gz DRGGZFSTDJPJMU-WJMWBRGCSA-N 2 1 330.516 3.549 20 0 EHADMP Cc1sc2[nH]c([C@@H](C)[N@@H+](C)CCCCCC[NH3+])nc(=O)c2c1C ZINC000872154956 1137573943 /nfs/dbraw/zinc/57/39/43/1137573943.db2.gz HEDBRRMHRMSXNM-GFCCVEGCSA-N 2 1 336.505 3.526 20 0 EHADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)c(Cl)nc21 ZINC000872251512 1137576369 /nfs/dbraw/zinc/57/63/69/1137576369.db2.gz LJGJOXVZUNSLCF-HNNXBMFYSA-N 2 1 349.910 3.533 20 0 EHADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)c(Cl)nc21 ZINC000872251513 1137576451 /nfs/dbraw/zinc/57/64/51/1137576451.db2.gz LJGJOXVZUNSLCF-OAHLLOKOSA-N 2 1 349.910 3.533 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811254 1137662237 /nfs/dbraw/zinc/66/22/37/1137662237.db2.gz JEMYSCHCDHHOKP-YZGWKJHDSA-N 2 1 346.515 3.547 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811254 1137662238 /nfs/dbraw/zinc/66/22/38/1137662238.db2.gz JEMYSCHCDHHOKP-YZGWKJHDSA-N 2 1 346.515 3.547 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000876959177 1137666335 /nfs/dbraw/zinc/66/63/35/1137666335.db2.gz PKKUCTRSYBSAPU-FSTVOOFJSA-N 2 1 332.469 3.810 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877087945 1137669940 /nfs/dbraw/zinc/66/99/40/1137669940.db2.gz XQILFBNMRBGMBN-KLHJMIIUSA-N 2 1 338.499 3.607 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877087945 1137669941 /nfs/dbraw/zinc/66/99/41/1137669941.db2.gz XQILFBNMRBGMBN-KLHJMIIUSA-N 2 1 338.499 3.607 20 0 EHADMP CC(C)C[N@H+](Cc1cnc(C(C)(C)C)nc1)CC1CC[NH+](C)CC1 ZINC000877767524 1137688981 /nfs/dbraw/zinc/68/89/81/1137688981.db2.gz MAIJLUMDVFDDJC-UHFFFAOYSA-N 2 1 332.536 3.574 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878157388 1137705015 /nfs/dbraw/zinc/70/50/15/1137705015.db2.gz ZVFVWTSHAKPTCO-JBACZVJFSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878157388 1137705016 /nfs/dbraw/zinc/70/50/16/1137705016.db2.gz ZVFVWTSHAKPTCO-JBACZVJFSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878157388 1137705017 /nfs/dbraw/zinc/70/50/17/1137705017.db2.gz ZVFVWTSHAKPTCO-JBACZVJFSA-N 2 1 328.500 3.570 20 0 EHADMP C[N@@H+](CCCOC(F)(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337865 1137711384 /nfs/dbraw/zinc/71/13/84/1137711384.db2.gz QXYKOAYXLQCKCB-UHFFFAOYSA-N 2 1 345.409 3.546 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880142859 1137769289 /nfs/dbraw/zinc/76/92/89/1137769289.db2.gz VFPBKJSLKZQNQX-RTWAWAEBSA-N 2 1 340.515 3.684 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)O2)cc1 ZINC000883435272 1137860544 /nfs/dbraw/zinc/86/05/44/1137860544.db2.gz NTEGUYDEKHZYBQ-ACRUOGEOSA-N 2 1 328.500 3.618 20 0 EHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348284865 1137896547 /nfs/dbraw/zinc/89/65/47/1137896547.db2.gz LGMBDHZZMQMMIG-QGTPRVQTSA-N 2 1 341.455 3.563 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccc3F)CC2)oc1C ZINC000112547315 1137908640 /nfs/dbraw/zinc/90/86/40/1137908640.db2.gz ZVQXEJQHTAANPD-OAHLLOKOSA-N 2 1 345.462 3.993 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331703539 1137917655 /nfs/dbraw/zinc/91/76/55/1137917655.db2.gz ZEANBFXSAPEORT-SPYBWZPUSA-N 2 1 347.478 3.676 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1C[NH2+]CC1(C)C)C1CCCCC1 ZINC000884176820 1137922416 /nfs/dbraw/zinc/92/24/16/1137922416.db2.gz QWTFHOYKBVFJJX-GOSISDBHSA-N 2 1 343.515 3.635 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000118982899 1137937102 /nfs/dbraw/zinc/93/71/02/1137937102.db2.gz WDWMAMOLAMVWNG-OSTWSGHESA-N 2 1 342.527 3.833 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000118982899 1137937103 /nfs/dbraw/zinc/93/71/03/1137937103.db2.gz WDWMAMOLAMVWNG-OSTWSGHESA-N 2 1 342.527 3.833 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cn1 ZINC000885930008 1138025831 /nfs/dbraw/zinc/02/58/31/1138025831.db2.gz XZJHCYYIADXIQA-GOSISDBHSA-N 2 1 340.471 3.547 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2OC)c1 ZINC000885969304 1138029153 /nfs/dbraw/zinc/02/91/53/1138029153.db2.gz NUQIUTQETRQEKO-UHFFFAOYSA-N 2 1 342.483 3.754 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC000886317823 1138067004 /nfs/dbraw/zinc/06/70/04/1138067004.db2.gz BNTKHGKPDWMUDE-OAQYLSRUSA-N 2 1 342.527 3.632 20 0 EHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000886502527 1138084748 /nfs/dbraw/zinc/08/47/48/1138084748.db2.gz BJMWKCLIPLGAQG-HXUWFJFHSA-N 2 1 328.504 3.747 20 0 EHADMP FC(F)(F)C1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886609381 1138101355 /nfs/dbraw/zinc/10/13/55/1138101355.db2.gz RTBFJSWHUGQVRR-BBWFWOEESA-N 2 1 338.417 3.972 20 0 EHADMP COCC1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886615545 1138102530 /nfs/dbraw/zinc/10/25/30/1138102530.db2.gz ITLAOMOORSFZJW-ACRUOGEOSA-N 2 1 342.527 3.836 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886628131 1138103630 /nfs/dbraw/zinc/10/36/30/1138103630.db2.gz GUCHTMVWNXAGNN-XIYVOTBMSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CCCOCc3ccccc3)CC2)[nH+]c1C ZINC000886663078 1138110830 /nfs/dbraw/zinc/11/08/30/1138110830.db2.gz SEOAXTZMPWREIP-UHFFFAOYSA-N 2 1 327.472 3.813 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095786 1138166185 /nfs/dbraw/zinc/16/61/85/1138166185.db2.gz JBVQQKBTROPUIM-HNAYVOBHSA-N 2 1 342.483 3.518 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095786 1138166187 /nfs/dbraw/zinc/16/61/87/1138166187.db2.gz JBVQQKBTROPUIM-HNAYVOBHSA-N 2 1 342.483 3.518 20 0 EHADMP CCc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095786 1138166188 /nfs/dbraw/zinc/16/61/88/1138166188.db2.gz JBVQQKBTROPUIM-HNAYVOBHSA-N 2 1 342.483 3.518 20 0 EHADMP CCc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095786 1138166189 /nfs/dbraw/zinc/16/61/89/1138166189.db2.gz JBVQQKBTROPUIM-HNAYVOBHSA-N 2 1 342.483 3.518 20 0 EHADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400442 1138210299 /nfs/dbraw/zinc/21/02/99/1138210299.db2.gz OEYHFYMARDKXTR-VNQPRFMTSA-N 2 1 337.305 3.597 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091321021 1138218644 /nfs/dbraw/zinc/21/86/44/1138218644.db2.gz KDWVXCIVXJJWRW-QWHCGFSZSA-N 2 1 345.878 3.719 20 0 EHADMP CCOc1ccc(C2=CC[N@H+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000091811069 1138221835 /nfs/dbraw/zinc/22/18/35/1138221835.db2.gz OZJXGFDPDGTFGG-UHFFFAOYSA-N 2 1 325.456 3.770 20 0 EHADMP CCOc1ccc(C2=CC[N@@H+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000091811069 1138221837 /nfs/dbraw/zinc/22/18/37/1138221837.db2.gz OZJXGFDPDGTFGG-UHFFFAOYSA-N 2 1 325.456 3.770 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1F ZINC000122306940 1138257095 /nfs/dbraw/zinc/25/70/95/1138257095.db2.gz GWXVMDTUEDOZGG-CQSZACIVSA-N 2 1 334.410 3.756 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000337948973 1138705563 /nfs/dbraw/zinc/70/55/63/1138705563.db2.gz ZCLQQJBDGGIQTB-UHFFFAOYSA-N 2 1 342.668 3.787 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000337951004 1138706000 /nfs/dbraw/zinc/70/60/00/1138706000.db2.gz UICKJECDHGBTDK-UHFFFAOYSA-N 2 1 345.450 3.710 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)c2)CCO1 ZINC000337991747 1138718393 /nfs/dbraw/zinc/71/83/93/1138718393.db2.gz WXUCHFWWJJITNS-MAODMQOUSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)c2)CCO1 ZINC000337991747 1138718397 /nfs/dbraw/zinc/71/83/97/1138718397.db2.gz WXUCHFWWJJITNS-MAODMQOUSA-N 2 1 328.500 3.576 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000338134931 1138761707 /nfs/dbraw/zinc/76/17/07/1138761707.db2.gz DBXQQQJVPCPLBF-QUCCMNQESA-N 2 1 338.499 3.712 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000338134931 1138761709 /nfs/dbraw/zinc/76/17/09/1138761709.db2.gz DBXQQQJVPCPLBF-QUCCMNQESA-N 2 1 338.499 3.712 20 0 EHADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc(O)c2n1 ZINC000338320857 1138832650 /nfs/dbraw/zinc/83/26/50/1138832650.db2.gz UZOHXJOOVNLRCA-QGZVFWFLSA-N 2 1 339.483 3.557 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@H](C)C1 ZINC000153745127 1139149359 /nfs/dbraw/zinc/14/93/59/1139149359.db2.gz BCBWLEWMEGLHGX-DNVCBOLYSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@H](C)C1 ZINC000153745127 1139149362 /nfs/dbraw/zinc/14/93/62/1139149362.db2.gz BCBWLEWMEGLHGX-DNVCBOLYSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@H](C)C1 ZINC000153745006 1139149883 /nfs/dbraw/zinc/14/98/83/1139149883.db2.gz BCBWLEWMEGLHGX-BEFAXECRSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)[C@H](C)C1 ZINC000153745006 1139149885 /nfs/dbraw/zinc/14/98/85/1139149885.db2.gz BCBWLEWMEGLHGX-BEFAXECRSA-N 2 1 343.446 3.833 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299414 1139684452 /nfs/dbraw/zinc/68/44/52/1139684452.db2.gz PBKYZBIGWSJEPQ-GJYPPUQNSA-N 2 1 325.456 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299414 1139684455 /nfs/dbraw/zinc/68/44/55/1139684455.db2.gz PBKYZBIGWSJEPQ-GJYPPUQNSA-N 2 1 325.456 3.692 20 0 EHADMP CCC(CC)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180145009 1139811969 /nfs/dbraw/zinc/81/19/69/1139811969.db2.gz WSOJWQMYTRJWCZ-VTHDOGFWSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCn1ccnc1 ZINC000181078866 1139884158 /nfs/dbraw/zinc/88/41/58/1139884158.db2.gz SAOIKHHYUXWFAJ-CYBMUJFWSA-N 2 1 345.834 3.670 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CCCn1ccnc1 ZINC000181078866 1139884167 /nfs/dbraw/zinc/88/41/67/1139884167.db2.gz SAOIKHHYUXWFAJ-CYBMUJFWSA-N 2 1 345.834 3.670 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000181609232 1139918917 /nfs/dbraw/zinc/91/89/17/1139918917.db2.gz MAIPPPRMJDWEEH-UFYCRDLUSA-N 2 1 328.500 3.574 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000183197898 1140019159 /nfs/dbraw/zinc/01/91/59/1140019159.db2.gz ARAWLAUVPGDBEH-NKDADTEFSA-N 2 1 348.556 3.728 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1NC(C)=O ZINC000184510304 1140105978 /nfs/dbraw/zinc/10/59/78/1140105978.db2.gz AWHIUZIFKAEOFU-CVEARBPZSA-N 2 1 347.503 3.569 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692013 1140163524 /nfs/dbraw/zinc/16/35/24/1140163524.db2.gz LPDFZDGOIHALCC-VCBZYWHSSA-N 2 1 336.907 3.616 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371123 1140200270 /nfs/dbraw/zinc/20/02/70/1140200270.db2.gz KQNFIOBSDAQCRF-QWFCFKBJSA-N 2 1 330.516 3.692 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCS2 ZINC000187758270 1140270040 /nfs/dbraw/zinc/27/00/40/1140270040.db2.gz YICMQRFAPJKBGT-KBXCAEBGSA-N 2 1 332.513 3.696 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000191297198 1140452286 /nfs/dbraw/zinc/45/22/86/1140452286.db2.gz UIRWWWFWACDLHV-QWHCGFSZSA-N 2 1 328.909 3.553 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(O)c3)CC2)oc1C ZINC000194889680 1140624583 /nfs/dbraw/zinc/62/45/83/1140624583.db2.gz AIJBPICNYJOBIA-OAHLLOKOSA-N 2 1 343.471 3.560 20 0 EHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266901410 1140735882 /nfs/dbraw/zinc/73/58/82/1140735882.db2.gz GSMCTKLGOLVLGQ-CRAIPNDOSA-N 2 1 348.450 3.770 20 0 EHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266901410 1140735887 /nfs/dbraw/zinc/73/58/87/1140735887.db2.gz GSMCTKLGOLVLGQ-CRAIPNDOSA-N 2 1 348.450 3.770 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)COC3)[C@H](C)C1 ZINC000268891442 1141019665 /nfs/dbraw/zinc/01/96/65/1141019665.db2.gz JTSAXVJBLZYLTR-LZJOCLMNSA-N 2 1 346.515 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402514 1141218736 /nfs/dbraw/zinc/21/87/36/1141218736.db2.gz AHLZOWSTHJQZED-NPPFBWRTSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402514 1141218740 /nfs/dbraw/zinc/21/87/40/1141218740.db2.gz AHLZOWSTHJQZED-NPPFBWRTSA-N 2 1 338.495 3.883 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270696893 1141258097 /nfs/dbraw/zinc/25/80/97/1141258097.db2.gz XDZJXGCIERQFGR-MSOLQXFVSA-N 2 1 331.460 3.543 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270696893 1141258107 /nfs/dbraw/zinc/25/81/07/1141258107.db2.gz XDZJXGCIERQFGR-MSOLQXFVSA-N 2 1 331.460 3.543 20 0 EHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000271564778 1141398239 /nfs/dbraw/zinc/39/82/39/1141398239.db2.gz UVADHUDILWPOIT-NHCUHLMSSA-N 2 1 344.543 3.877 20 0 EHADMP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000274419333 1141523762 /nfs/dbraw/zinc/52/37/62/1141523762.db2.gz KWMLLNXTXFNSGD-CCNLRDMRSA-N 2 1 334.479 3.618 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000049856231 214034389 /nfs/dbraw/zinc/03/43/89/214034389.db2.gz GWGSOGFGHKLCLT-XJKSGUPXSA-N 2 1 325.294 3.974 20 0 EHADMP Brc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648920 518210860 /nfs/dbraw/zinc/21/08/60/518210860.db2.gz QYUPJRXWFVPSOD-BZOOQXSSSA-N 2 1 349.316 3.769 20 0 EHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000040227467 518215801 /nfs/dbraw/zinc/21/58/01/518215801.db2.gz WGUUGOLRWXBKMY-SJCJKPOMSA-N 2 1 335.289 3.510 20 0 EHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000040227469 518217349 /nfs/dbraw/zinc/21/73/49/518217349.db2.gz WGUUGOLRWXBKMY-PXAZEXFGSA-N 2 1 335.289 3.510 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC001165037936 721898451 /nfs/dbraw/zinc/89/84/51/721898451.db2.gz OKHBIQSYINYEOC-MOPGFXCFSA-N 2 1 330.520 3.549 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OCc2ccccc2)c1 ZINC000459414588 1032085817 /nfs/dbraw/zinc/08/58/17/1032085817.db2.gz AOXHVFQVFFLDKC-QGZVFWFLSA-N 2 1 335.451 3.892 20 0 EHADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000643547038 1014485194 /nfs/dbraw/zinc/48/51/94/1014485194.db2.gz YTDVQAFZGPUABW-HZPDHXFCSA-N 2 1 342.405 3.657 20 0 EHADMP Cc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Br ZINC000536681267 1032095096 /nfs/dbraw/zinc/09/50/96/1032095096.db2.gz GXLXYNGESXLONP-RYUDHWBXSA-N 2 1 331.323 3.734 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)sc1Br ZINC000536681267 1032095106 /nfs/dbraw/zinc/09/51/06/1032095106.db2.gz GXLXYNGESXLONP-RYUDHWBXSA-N 2 1 331.323 3.734 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)sc1Br ZINC000536681267 1032095110 /nfs/dbraw/zinc/09/51/10/1032095110.db2.gz GXLXYNGESXLONP-RYUDHWBXSA-N 2 1 331.323 3.734 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000274761684 1014977673 /nfs/dbraw/zinc/97/76/73/1014977673.db2.gz KDZIOOSBIHZTFY-DYXWJJEUSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000154102011 1015012293 /nfs/dbraw/zinc/01/22/93/1015012293.db2.gz ZFWCZSMBIKNPQK-HNAYVOBHSA-N 2 1 338.455 3.727 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603608 1015056990 /nfs/dbraw/zinc/05/69/90/1015056990.db2.gz FSWCVYUTRSPBQU-YOEHRIQHSA-N 2 1 337.305 3.928 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603608 1015057005 /nfs/dbraw/zinc/05/70/05/1015057005.db2.gz FSWCVYUTRSPBQU-YOEHRIQHSA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603608 1015057016 /nfs/dbraw/zinc/05/70/16/1015057016.db2.gz FSWCVYUTRSPBQU-YOEHRIQHSA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603608 1015057027 /nfs/dbraw/zinc/05/70/27/1015057027.db2.gz FSWCVYUTRSPBQU-YOEHRIQHSA-N 2 1 337.305 3.928 20 0 EHADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000683228107 1015160553 /nfs/dbraw/zinc/16/05/53/1015160553.db2.gz UCPHSJPCKBGPAC-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1ccc(N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000459427977 1032115497 /nfs/dbraw/zinc/11/54/97/1032115497.db2.gz JTWYYUZWGMEDHH-UHFFFAOYSA-N 2 1 329.875 3.845 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846800 1015740200 /nfs/dbraw/zinc/74/02/00/1015740200.db2.gz LAQBZOCTOOORPW-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846800 1015740205 /nfs/dbraw/zinc/74/02/05/1015740205.db2.gz LAQBZOCTOOORPW-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846800 1015740210 /nfs/dbraw/zinc/74/02/10/1015740210.db2.gz LAQBZOCTOOORPW-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP Cc1ccc(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)[nH+]c1 ZINC000459440513 1032125523 /nfs/dbraw/zinc/12/55/23/1032125523.db2.gz VMWFVRNIIKQYFJ-UHFFFAOYSA-N 2 1 329.875 3.845 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1 ZINC000183151248 1032136094 /nfs/dbraw/zinc/13/60/94/1032136094.db2.gz UOQUVXUAZCVMSK-INIZCTEOSA-N 2 1 348.450 3.778 20 0 EHADMP C[C@H](CC1CCCC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533548921 1016128375 /nfs/dbraw/zinc/12/83/75/1016128375.db2.gz IZJFUSPEMGNZTI-AEFFLSMTSA-N 2 1 335.561 3.595 20 0 EHADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2F)s1)C[NH+]1CCCC1 ZINC000449086581 1032147959 /nfs/dbraw/zinc/14/79/59/1032147959.db2.gz CSIKDWQDONAKIF-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP C[C@@H](NCc1cc(F)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380169239 1016920616 /nfs/dbraw/zinc/92/06/16/1016920616.db2.gz MOZDQVPXIXDGMV-WBVHZDCISA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380169239 1016920627 /nfs/dbraw/zinc/92/06/27/1016920627.db2.gz MOZDQVPXIXDGMV-WBVHZDCISA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380169239 1016920638 /nfs/dbraw/zinc/92/06/38/1016920638.db2.gz MOZDQVPXIXDGMV-WBVHZDCISA-N 2 1 330.422 3.965 20 0 EHADMP Cc1cc(NC2CC[NH+](C3CC3)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000459461471 1032161562 /nfs/dbraw/zinc/16/15/62/1032161562.db2.gz JOYDXBSNYXIXIJ-MRXNPFEDSA-N 2 1 328.504 3.808 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449075037 1032161887 /nfs/dbraw/zinc/16/18/87/1032161887.db2.gz MDZOITPOZSOPTM-KRWDZBQOSA-N 2 1 341.524 3.502 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449075037 1032161897 /nfs/dbraw/zinc/16/18/97/1032161897.db2.gz MDZOITPOZSOPTM-KRWDZBQOSA-N 2 1 341.524 3.502 20 0 EHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000657843517 1032217639 /nfs/dbraw/zinc/21/76/39/1032217639.db2.gz ZWCTZVDTIGISKU-RDJZCZTQSA-N 2 1 328.422 3.958 20 0 EHADMP CCC[N@@H+](C)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000459546529 1032264663 /nfs/dbraw/zinc/26/46/63/1032264663.db2.gz SVXVKBXMJQKUAB-FQEVSTJZSA-N 2 1 349.950 3.939 20 0 EHADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440237 1032300178 /nfs/dbraw/zinc/30/01/78/1032300178.db2.gz KRPKRKNPKUCEQI-CDXJDZJCSA-N 2 1 348.506 3.626 20 0 EHADMP COCC1CCC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000449184286 1032301203 /nfs/dbraw/zinc/30/12/03/1032301203.db2.gz MNTVHVIRIFSFLG-DXHCPDEFSA-N 2 1 344.543 3.938 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000394998130 1032345756 /nfs/dbraw/zinc/34/57/56/1032345756.db2.gz IFVLTHPQEIARIH-PGRDOPGGSA-N 2 1 338.495 3.738 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CCCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000449227552 1032345893 /nfs/dbraw/zinc/34/58/93/1032345893.db2.gz VEMMKUDHLQNMQD-ZSZQSSIHSA-N 2 1 330.520 3.867 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccncc3C)C2)s1 ZINC000528494950 1032357174 /nfs/dbraw/zinc/35/71/74/1032357174.db2.gz AVZIIQGEEHCHFY-QGZVFWFLSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccncc3C)C2)s1 ZINC000528494950 1032357180 /nfs/dbraw/zinc/35/71/80/1032357180.db2.gz AVZIIQGEEHCHFY-QGZVFWFLSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccncc3C)C2)s1 ZINC000528494950 1032357192 /nfs/dbraw/zinc/35/71/92/1032357192.db2.gz AVZIIQGEEHCHFY-QGZVFWFLSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1C ZINC000459662618 1032390888 /nfs/dbraw/zinc/39/08/88/1032390888.db2.gz HEURRHYDSMMSHA-CEMLEFRQSA-N 2 1 335.495 3.699 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1C ZINC000459662618 1032390897 /nfs/dbraw/zinc/39/08/97/1032390897.db2.gz HEURRHYDSMMSHA-CEMLEFRQSA-N 2 1 335.495 3.699 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000459681294 1032410893 /nfs/dbraw/zinc/41/08/93/1032410893.db2.gz RHWNGJPAEWNZJP-QZTJIDSGSA-N 2 1 329.513 3.973 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000459681294 1032410896 /nfs/dbraw/zinc/41/08/96/1032410896.db2.gz RHWNGJPAEWNZJP-QZTJIDSGSA-N 2 1 329.513 3.973 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)s2)cc1 ZINC000459724445 1032430900 /nfs/dbraw/zinc/43/09/00/1032430900.db2.gz DRINGPWCMXHVJQ-MRXNPFEDSA-N 2 1 329.513 3.940 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000459730606 1032434463 /nfs/dbraw/zinc/43/44/63/1032434463.db2.gz KUEUUDQXHHTDJI-INIZCTEOSA-N 2 1 335.923 3.762 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000459730126 1032434750 /nfs/dbraw/zinc/43/47/50/1032434750.db2.gz JWMZBGREVVDFBK-GFCCVEGCSA-N 2 1 332.822 3.763 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000459787735 1032474859 /nfs/dbraw/zinc/47/48/59/1032474859.db2.gz PWIVZCLFEBMPPT-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797406 1032480315 /nfs/dbraw/zinc/48/03/15/1032480315.db2.gz WPTOYHBGLWWXHW-NVXWUHKLSA-N 2 1 340.458 3.931 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797891 1032480485 /nfs/dbraw/zinc/48/04/85/1032480485.db2.gz XCPDBZBTTDEDJY-GDBMZVCRSA-N 2 1 328.422 3.958 20 0 EHADMP CC(C)N1CCc2nc(C[N@H+]3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451597 1032569164 /nfs/dbraw/zinc/56/91/64/1032569164.db2.gz RPPYITYOOBPLHO-OLPIVMHESA-N 2 1 343.540 3.554 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451597 1032569169 /nfs/dbraw/zinc/56/91/69/1032569169.db2.gz RPPYITYOOBPLHO-OLPIVMHESA-N 2 1 343.540 3.554 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451597 1032569175 /nfs/dbraw/zinc/56/91/75/1032569175.db2.gz RPPYITYOOBPLHO-OLPIVMHESA-N 2 1 343.540 3.554 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451597 1032569183 /nfs/dbraw/zinc/56/91/83/1032569183.db2.gz RPPYITYOOBPLHO-OLPIVMHESA-N 2 1 343.540 3.554 20 0 EHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000537294384 1032601505 /nfs/dbraw/zinc/60/15/05/1032601505.db2.gz CCPDUDRDYUXMCM-KRWDZBQOSA-N 2 1 343.515 3.673 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(CF)CCOCC2)cc1 ZINC000449489234 1032650836 /nfs/dbraw/zinc/65/08/36/1032650836.db2.gz PNDBHUBUWRABOF-OAHLLOKOSA-N 2 1 331.435 3.598 20 0 EHADMP CCCCOc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655694753 1017412151 /nfs/dbraw/zinc/41/21/51/1017412151.db2.gz LBYPFUIKNULDFK-NRFANRHFSA-N 2 1 346.515 3.599 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000655715458 1017444658 /nfs/dbraw/zinc/44/46/58/1017444658.db2.gz KMXTYMXHOPXBNT-LEWJYISDSA-N 2 1 344.543 3.976 20 0 EHADMP Clc1cccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655725215 1017468725 /nfs/dbraw/zinc/46/87/25/1017468725.db2.gz OARFLPQKLQKDSE-LJQANCHMSA-N 2 1 336.907 3.506 20 0 EHADMP CC[C@@H](CSc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738171 1017500423 /nfs/dbraw/zinc/50/04/23/1017500423.db2.gz SOLBYRWPKSMKSS-HKUYNNGSSA-N 2 1 348.556 3.790 20 0 EHADMP Fc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655742067 1017512185 /nfs/dbraw/zinc/51/21/85/1017512185.db2.gz OBJDTBVRDACDOI-FQEVSTJZSA-N 2 1 346.490 3.828 20 0 EHADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415082683 1017524787 /nfs/dbraw/zinc/52/47/87/1017524787.db2.gz DQJYKQDUPMYAPG-IEBWSBKVSA-N 2 1 328.431 3.807 20 0 EHADMP COc1cccc(OCCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415126195 1017578118 /nfs/dbraw/zinc/57/81/18/1017578118.db2.gz UEFNWANJGAHHRB-WIYYLYMNSA-N 2 1 340.467 3.547 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4CCCCO4)C3)CC2)cc1 ZINC000377331381 1017650772 /nfs/dbraw/zinc/65/07/72/1017650772.db2.gz RVVKRROTOQQSHL-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000655848280 1017765352 /nfs/dbraw/zinc/76/53/52/1017765352.db2.gz CQCRFQWYEJOELL-PMXSJFBMSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000655848280 1017765364 /nfs/dbraw/zinc/76/53/64/1017765364.db2.gz CQCRFQWYEJOELL-PMXSJFBMSA-N 2 1 333.564 3.636 20 0 EHADMP CCN1CCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340464304 1017934007 /nfs/dbraw/zinc/93/40/07/1017934007.db2.gz NXPKBWFIPQPWFH-CBNMVNINSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000340464565 1017936827 /nfs/dbraw/zinc/93/68/27/1017936827.db2.gz GFVCWWOVOBZULV-FQEVSTJZSA-N 2 1 328.504 3.538 20 0 EHADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000340484188 1018058287 /nfs/dbraw/zinc/05/82/87/1018058287.db2.gz ASGKVEXJDVUQRK-MRXNPFEDSA-N 2 1 330.472 3.815 20 0 EHADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000574226271 1032746708 /nfs/dbraw/zinc/74/67/08/1032746708.db2.gz WKXFNFMLAJRGLB-IJXRJRJASA-N 2 1 329.532 3.578 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000377680571 1018182406 /nfs/dbraw/zinc/18/24/06/1018182406.db2.gz VWAQUNLZGKJWPS-FQEVSTJZSA-N 2 1 339.483 3.656 20 0 EHADMP C[C@@H]1C[C@@H](NCc2cn3ccnc3s2)CC[N@H+]1Cc1ccccc1 ZINC000893097921 1018460487 /nfs/dbraw/zinc/46/04/87/1018460487.db2.gz ACSQIRVNYYYJHS-WBVHZDCISA-N 2 1 340.496 3.539 20 0 EHADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000377886765 1018516490 /nfs/dbraw/zinc/51/64/90/1018516490.db2.gz AVQALIJLUQCUIS-LBPRGKRZSA-N 2 1 330.482 3.595 20 0 EHADMP Cn1ccnc1[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000377886765 1018516500 /nfs/dbraw/zinc/51/65/00/1018516500.db2.gz AVQALIJLUQCUIS-LBPRGKRZSA-N 2 1 330.482 3.595 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCC(C)C ZINC000576436576 1018991525 /nfs/dbraw/zinc/99/15/25/1018991525.db2.gz XNFSWMCTVKCHHQ-MOPGFXCFSA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OCC(C)C ZINC000576436576 1018991540 /nfs/dbraw/zinc/99/15/40/1018991540.db2.gz XNFSWMCTVKCHHQ-MOPGFXCFSA-N 2 1 346.515 3.646 20 0 EHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OCC(C)C ZINC000576436576 1018991549 /nfs/dbraw/zinc/99/15/49/1018991549.db2.gz XNFSWMCTVKCHHQ-MOPGFXCFSA-N 2 1 346.515 3.646 20 0 EHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)c1 ZINC001167939181 1019287766 /nfs/dbraw/zinc/28/77/66/1019287766.db2.gz HYVURSMTKCFVML-ACDBMABISA-N 2 1 340.511 3.782 20 0 EHADMP c1c2ccccc2[nH]c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000683927136 1019292831 /nfs/dbraw/zinc/29/28/31/1019292831.db2.gz LJIWYLXUFIZPQV-IBGZPJMESA-N 2 1 333.479 3.822 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155742707 1019345593 /nfs/dbraw/zinc/34/55/93/1019345593.db2.gz GCRSVWOWEPNEEP-UHFFFAOYSA-N 2 1 344.528 3.759 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000513212684 1019418965 /nfs/dbraw/zinc/41/89/65/1019418965.db2.gz OWCWZMMQGZLLOL-GIVPXCGWSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212684 1019418973 /nfs/dbraw/zinc/41/89/73/1019418973.db2.gz OWCWZMMQGZLLOL-GIVPXCGWSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212684 1019418980 /nfs/dbraw/zinc/41/89/80/1019418980.db2.gz OWCWZMMQGZLLOL-GIVPXCGWSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000580471662 1019425292 /nfs/dbraw/zinc/42/52/92/1019425292.db2.gz BCDJVYOTXDAPMZ-SFHLNBCPSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000580471662 1019425319 /nfs/dbraw/zinc/42/53/19/1019425319.db2.gz BCDJVYOTXDAPMZ-SFHLNBCPSA-N 2 1 329.532 3.504 20 0 EHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405701 1019426455 /nfs/dbraw/zinc/42/64/55/1019426455.db2.gz JELRHHBXHZDLKY-PMACEKPBSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405701 1019426465 /nfs/dbraw/zinc/42/64/65/1019426465.db2.gz JELRHHBXHZDLKY-PMACEKPBSA-N 2 1 332.532 3.628 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405701 1019426473 /nfs/dbraw/zinc/42/64/73/1019426473.db2.gz JELRHHBXHZDLKY-PMACEKPBSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405701 1019426479 /nfs/dbraw/zinc/42/64/79/1019426479.db2.gz JELRHHBXHZDLKY-PMACEKPBSA-N 2 1 332.532 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001167405701 1019426490 /nfs/dbraw/zinc/42/64/90/1019426490.db2.gz JELRHHBXHZDLKY-PMACEKPBSA-N 2 1 332.532 3.628 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000155769746 1019534922 /nfs/dbraw/zinc/53/49/22/1019534922.db2.gz KVLYDCGAFYQYPW-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513336004 1019552266 /nfs/dbraw/zinc/55/22/66/1019552266.db2.gz UUZZLSYJVKTKIE-QXWDQEIOSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513336004 1019552275 /nfs/dbraw/zinc/55/22/75/1019552275.db2.gz UUZZLSYJVKTKIE-QXWDQEIOSA-N 2 1 330.516 3.834 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])c2C1 ZINC000262332904 1019596623 /nfs/dbraw/zinc/59/66/23/1019596623.db2.gz GXHQCLMQTBWWEM-ZVXXOIICSA-N 2 1 341.499 3.504 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])c2C1 ZINC000262332904 1019596638 /nfs/dbraw/zinc/59/66/38/1019596638.db2.gz GXHQCLMQTBWWEM-ZVXXOIICSA-N 2 1 341.499 3.504 20 0 EHADMP COc1ccsc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000580607140 1019738808 /nfs/dbraw/zinc/73/88/08/1019738808.db2.gz GGXCIMJLGLVHFS-ZWKOTPCHSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000580607140 1019738821 /nfs/dbraw/zinc/73/88/21/1019738821.db2.gz GGXCIMJLGLVHFS-ZWKOTPCHSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580607140 1019738835 /nfs/dbraw/zinc/73/88/35/1019738835.db2.gz GGXCIMJLGLVHFS-ZWKOTPCHSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580607140 1019738856 /nfs/dbraw/zinc/73/88/56/1019738856.db2.gz GGXCIMJLGLVHFS-ZWKOTPCHSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513656462 1019910899 /nfs/dbraw/zinc/91/08/99/1019910899.db2.gz TUGSRZNPCJQPQK-TVFCKZIOSA-N 2 1 348.556 3.886 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(C)C ZINC000155827140 1019913978 /nfs/dbraw/zinc/91/39/78/1019913978.db2.gz DQQIRFUQYGLIAD-KRWDZBQOSA-N 2 1 347.503 3.803 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000513678617 1019928346 /nfs/dbraw/zinc/92/83/46/1019928346.db2.gz PWGVSXIBMNIHTM-CWRNSKLLSA-N 2 1 342.405 3.547 20 0 EHADMP CC(C)CC[NH+]1CCC(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119582 1019942519 /nfs/dbraw/zinc/94/25/19/1019942519.db2.gz MPEUMNOOUCDMSB-MOPGFXCFSA-N 2 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000926119582 1019942531 /nfs/dbraw/zinc/94/25/31/1019942531.db2.gz MPEUMNOOUCDMSB-MOPGFXCFSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119582 1019942543 /nfs/dbraw/zinc/94/25/43/1019942543.db2.gz MPEUMNOOUCDMSB-MOPGFXCFSA-N 3 1 335.580 3.740 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn3ccccc23)CC1)CC(C)C ZINC000581159323 1020493422 /nfs/dbraw/zinc/49/34/22/1020493422.db2.gz XBGGBMOZDPGKNL-UHFFFAOYSA-N 2 1 342.531 3.914 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000280696116 1020574901 /nfs/dbraw/zinc/57/49/01/1020574901.db2.gz ABIWSUDNPSRAAM-DPVAKWRKSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542646 1020584648 /nfs/dbraw/zinc/58/46/48/1020584648.db2.gz CMLZVVXHYGRBKQ-OCCSQVGLSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542646 1020584652 /nfs/dbraw/zinc/58/46/52/1020584652.db2.gz CMLZVVXHYGRBKQ-OCCSQVGLSA-N 2 1 348.288 3.557 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000341024071 1020876137 /nfs/dbraw/zinc/87/61/37/1020876137.db2.gz YMQRFYYQZKSEDU-LLVKDONJSA-N 2 1 345.340 3.655 20 0 EHADMP C[NH+](C)CC1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000114033879 1032941503 /nfs/dbraw/zinc/94/15/03/1032941503.db2.gz ABAGSCIPJDNYHC-UHFFFAOYSA-N 2 1 348.288 3.775 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000341176351 1021047906 /nfs/dbraw/zinc/04/79/06/1021047906.db2.gz AYJYGOOEMIBFFL-MRXNPFEDSA-N 2 1 334.261 3.621 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501315 1021061420 /nfs/dbraw/zinc/06/14/20/1021061420.db2.gz FERCRZYEJGFCJV-VQTJNVASSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CCC2(CN(C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501315 1021061424 /nfs/dbraw/zinc/06/14/24/1021061424.db2.gz FERCRZYEJGFCJV-VQTJNVASSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CCC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501315 1021061430 /nfs/dbraw/zinc/06/14/30/1021061430.db2.gz FERCRZYEJGFCJV-VQTJNVASSA-N 2 1 335.580 3.552 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC3CCOCC3)C2)s1 ZINC000518542471 1021284170 /nfs/dbraw/zinc/28/41/70/1021284170.db2.gz WTCBOSJLEKSTAB-GOSISDBHSA-N 2 1 336.545 3.627 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC3CCOCC3)C2)s1 ZINC000518542471 1021284178 /nfs/dbraw/zinc/28/41/78/1021284178.db2.gz WTCBOSJLEKSTAB-GOSISDBHSA-N 2 1 336.545 3.627 20 0 EHADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000507489613 1021306604 /nfs/dbraw/zinc/30/66/04/1021306604.db2.gz XNPNBNHQDWYWLX-UYAOXDASSA-N 2 1 337.511 3.859 20 0 EHADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000507489613 1021306613 /nfs/dbraw/zinc/30/66/13/1021306613.db2.gz XNPNBNHQDWYWLX-UYAOXDASSA-N 2 1 337.511 3.859 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558278 1032970647 /nfs/dbraw/zinc/97/06/47/1032970647.db2.gz KMAJYJBGFQVJIX-HKUYNNGSSA-N 2 1 344.499 3.676 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558278 1032970664 /nfs/dbraw/zinc/97/06/64/1032970664.db2.gz KMAJYJBGFQVJIX-HKUYNNGSSA-N 2 1 344.499 3.676 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630686 1021336475 /nfs/dbraw/zinc/33/64/75/1021336475.db2.gz RZIOOBLDECNFPP-IRXDYDNUSA-N 2 1 337.467 3.671 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630687 1021336734 /nfs/dbraw/zinc/33/67/34/1021336734.db2.gz RZIOOBLDECNFPP-SJORKVTESA-N 2 1 337.467 3.671 20 0 EHADMP CC[NH+](CC)Cc1ccc(CNc2cc[nH+]cc2Br)cc1 ZINC000341348775 1021493770 /nfs/dbraw/zinc/49/37/70/1021493770.db2.gz LWFRPUTZTZQSBX-UHFFFAOYSA-N 2 1 348.288 3.720 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1O ZINC000426403112 1021504857 /nfs/dbraw/zinc/50/48/57/1021504857.db2.gz VNNCFTIFKFDEMS-SJORKVTESA-N 2 1 334.504 3.576 20 0 EHADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000516519536 1021510913 /nfs/dbraw/zinc/51/09/13/1021510913.db2.gz ULRQESLDVJNUOC-GXRSIYKFSA-N 2 1 342.527 3.646 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000426417921 1021535251 /nfs/dbraw/zinc/53/52/51/1021535251.db2.gz UZHJPJQWCLSTSN-QGZVFWFLSA-N 2 1 347.528 3.537 20 0 EHADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638353372 1021624801 /nfs/dbraw/zinc/62/48/01/1021624801.db2.gz SFWBSFAMENOMBZ-PZJWPPBQSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638353372 1021624815 /nfs/dbraw/zinc/62/48/15/1021624815.db2.gz SFWBSFAMENOMBZ-PZJWPPBQSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cs1 ZINC000297603760 1021643526 /nfs/dbraw/zinc/64/35/26/1021643526.db2.gz ICYVFESUQFSSSW-AWEZNQCLSA-N 2 1 330.501 3.783 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154576 1021887111 /nfs/dbraw/zinc/88/71/11/1021887111.db2.gz VKAHQEIJWRFMMT-ACRUOGEOSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154576 1021887126 /nfs/dbraw/zinc/88/71/26/1021887126.db2.gz VKAHQEIJWRFMMT-ACRUOGEOSA-N 2 1 340.511 3.731 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262005397 1021929039 /nfs/dbraw/zinc/92/90/39/1021929039.db2.gz LTNDJJQDBQXRQX-UHFFFAOYSA-N 2 1 336.479 3.938 20 0 EHADMP FC(F)(F)c1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262006839 1021971948 /nfs/dbraw/zinc/97/19/48/1021971948.db2.gz LXGGQCMGNFLDNJ-UHFFFAOYSA-N 2 1 332.797 3.934 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000276674295 1022165438 /nfs/dbraw/zinc/16/54/38/1022165438.db2.gz SAMJMMFHNXMJKZ-RCKXYERXSA-N 2 1 330.516 3.692 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1(C)C ZINC000441341942 1022179560 /nfs/dbraw/zinc/17/95/60/1022179560.db2.gz QBULWKSAAPKBDC-LEWJYISDSA-N 2 1 343.559 3.719 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000119417656 1033037915 /nfs/dbraw/zinc/03/79/15/1033037915.db2.gz HZGGKKKTUZGLKN-HXUWFJFHSA-N 2 1 327.472 3.653 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000119417656 1033037935 /nfs/dbraw/zinc/03/79/35/1033037935.db2.gz HZGGKKKTUZGLKN-HXUWFJFHSA-N 2 1 327.472 3.653 20 0 EHADMP C[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000262022174 1022243849 /nfs/dbraw/zinc/24/38/49/1022243849.db2.gz NGGXSWLZCLXGRD-AWEZNQCLSA-N 2 1 337.305 3.628 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126942400 1022257220 /nfs/dbraw/zinc/25/72/20/1022257220.db2.gz CULKIVRXVLFQFJ-VXGBXAGGSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126942400 1022257228 /nfs/dbraw/zinc/25/72/28/1022257228.db2.gz CULKIVRXVLFQFJ-VXGBXAGGSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1 ZINC001167992766 1022328670 /nfs/dbraw/zinc/32/86/70/1022328670.db2.gz JYMSBBZFBKUUEA-AWEZNQCLSA-N 2 1 341.434 3.627 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OCCC(C)C ZINC000341582652 1022391876 /nfs/dbraw/zinc/39/18/76/1022391876.db2.gz GMKGMPDUANGHLF-MRXNPFEDSA-N 2 1 345.487 3.976 20 0 EHADMP FC(F)(F)Oc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000517550078 1022452290 /nfs/dbraw/zinc/45/22/90/1022452290.db2.gz RFUBWHOTUBFWBS-UHFFFAOYSA-N 2 1 328.378 3.692 20 0 EHADMP Fc1ccc(O[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167996016 1022552088 /nfs/dbraw/zinc/55/20/88/1022552088.db2.gz VCUCPSQFSGDUHO-VHRCFOOQSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1ccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167996016 1022552098 /nfs/dbraw/zinc/55/20/98/1022552098.db2.gz VCUCPSQFSGDUHO-VHRCFOOQSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1ccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167996016 1022552115 /nfs/dbraw/zinc/55/21/15/1022552115.db2.gz VCUCPSQFSGDUHO-VHRCFOOQSA-N 2 1 344.474 3.684 20 0 EHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](CC3CCCCC3)C1)C2 ZINC001167975125 1022569981 /nfs/dbraw/zinc/56/99/81/1022569981.db2.gz HZEKXNQXHNWNPZ-MJLAPFRSSA-N 2 1 345.575 3.636 20 0 EHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](CC3CCCCC3)C1)C2 ZINC001167975125 1022569996 /nfs/dbraw/zinc/56/99/96/1022569996.db2.gz HZEKXNQXHNWNPZ-MJLAPFRSSA-N 2 1 345.575 3.636 20 0 EHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001167975125 1022570007 /nfs/dbraw/zinc/57/00/07/1022570007.db2.gz HZEKXNQXHNWNPZ-MJLAPFRSSA-N 2 1 345.575 3.636 20 0 EHADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430723660 1022632318 /nfs/dbraw/zinc/63/23/18/1022632318.db2.gz SRMMZWOABGHGER-BJZITVGISA-N 2 1 330.520 3.867 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000544006543 1022638949 /nfs/dbraw/zinc/63/89/49/1022638949.db2.gz NOEAOSBXFIQIDG-QGZVFWFLSA-N 2 1 338.561 3.750 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200571 1022723674 /nfs/dbraw/zinc/72/36/74/1022723674.db2.gz OHRLCXWGCFZLQS-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200571 1022723688 /nfs/dbraw/zinc/72/36/88/1022723688.db2.gz OHRLCXWGCFZLQS-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200571 1022723701 /nfs/dbraw/zinc/72/37/01/1022723701.db2.gz OHRLCXWGCFZLQS-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP COc1cnccc1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167981731 1022785132 /nfs/dbraw/zinc/78/51/32/1022785132.db2.gz GZDFTYUFPFTREO-RHXYGLJOSA-N 2 1 341.499 3.536 20 0 EHADMP COc1cnccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167981731 1022785148 /nfs/dbraw/zinc/78/51/48/1022785148.db2.gz GZDFTYUFPFTREO-RHXYGLJOSA-N 2 1 341.499 3.536 20 0 EHADMP COc1cnccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167981731 1022785165 /nfs/dbraw/zinc/78/51/65/1022785165.db2.gz GZDFTYUFPFTREO-RHXYGLJOSA-N 2 1 341.499 3.536 20 0 EHADMP [NH3+]Cc1ccc(-c2cncn2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981559 1022798113 /nfs/dbraw/zinc/79/81/13/1022798113.db2.gz APRUOWMIQBZKBN-YOFSQIOKSA-N 2 1 336.483 3.587 20 0 EHADMP CCCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000341654710 1022831286 /nfs/dbraw/zinc/83/12/86/1022831286.db2.gz GEPGCKXJRDDIEN-HNNXBMFYSA-N 2 1 331.460 3.730 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189266732 1023004395 /nfs/dbraw/zinc/00/43/95/1023004395.db2.gz MVVVGGNLDCZRHO-IRLDBZIGSA-N 2 1 344.543 3.877 20 0 EHADMP CC(C)OC1CC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000189540095 1023050813 /nfs/dbraw/zinc/05/08/13/1023050813.db2.gz FFQLVCOJVKKCCY-UHFFFAOYSA-N 2 1 342.483 3.957 20 0 EHADMP CC[C@@](C)(O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000189717752 1023090062 /nfs/dbraw/zinc/09/00/62/1023090062.db2.gz DBAONCKXCCYAAR-HXUWFJFHSA-N 2 1 329.488 3.635 20 0 EHADMP CC[C@@](C)(O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000189717752 1023090071 /nfs/dbraw/zinc/09/00/71/1023090071.db2.gz DBAONCKXCCYAAR-HXUWFJFHSA-N 2 1 329.488 3.635 20 0 EHADMP CC(C)[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507133308 1023150733 /nfs/dbraw/zinc/15/07/33/1023150733.db2.gz WEKSDOSVHDRFOU-HXUWFJFHSA-N 2 1 329.532 3.837 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000277116919 1023775670 /nfs/dbraw/zinc/77/56/70/1023775670.db2.gz HMMBAAUDTVTTCB-IBGZPJMESA-N 2 1 348.494 3.917 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000277116919 1023775679 /nfs/dbraw/zinc/77/56/79/1023775679.db2.gz HMMBAAUDTVTTCB-IBGZPJMESA-N 2 1 348.494 3.917 20 0 EHADMP CCOC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(C)C ZINC000474096552 1024154424 /nfs/dbraw/zinc/15/44/24/1024154424.db2.gz NALNCTSBWBKPEH-NCYKPQTJSA-N 2 1 330.516 3.548 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000427604418 1024236505 /nfs/dbraw/zinc/23/65/05/1024236505.db2.gz PJWNKIUJDRLSRX-CKEIUWERSA-N 2 1 339.405 3.694 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000427604418 1024236519 /nfs/dbraw/zinc/23/65/19/1024236519.db2.gz PJWNKIUJDRLSRX-CKEIUWERSA-N 2 1 339.405 3.694 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000443616142 1024237535 /nfs/dbraw/zinc/23/75/35/1024237535.db2.gz LSNNHCYLUJGOOC-KXBFYZLASA-N 2 1 336.907 3.760 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC001168023117 1024264637 /nfs/dbraw/zinc/26/46/37/1024264637.db2.gz VLNZUAMSIPJIMG-AXVVYFOYSA-N 2 1 326.488 3.512 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC001168023117 1024264652 /nfs/dbraw/zinc/26/46/52/1024264652.db2.gz VLNZUAMSIPJIMG-AXVVYFOYSA-N 2 1 326.488 3.512 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC001168023117 1024264666 /nfs/dbraw/zinc/26/46/66/1024264666.db2.gz VLNZUAMSIPJIMG-AXVVYFOYSA-N 2 1 326.488 3.512 20 0 EHADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c1 ZINC000166547346 1024327235 /nfs/dbraw/zinc/32/72/35/1024327235.db2.gz NAWYCWVEMVDAKX-RBUKOAKNSA-N 2 1 328.500 3.723 20 0 EHADMP CC(C)n1cncc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025243 1024360936 /nfs/dbraw/zinc/36/09/36/1024360936.db2.gz BXEJTLBJXWIWIZ-ROUUACIJSA-N 2 1 340.515 3.995 20 0 EHADMP C[C@H]1CC([NH2+][C@H](CO)c2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006287 1024398021 /nfs/dbraw/zinc/39/80/21/1024398021.db2.gz MSOUFWUVUHIUMB-NPPFBWRTSA-N 2 1 338.495 3.751 20 0 EHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853113 1024402649 /nfs/dbraw/zinc/40/26/49/1024402649.db2.gz RVJGNNAHMWPGNG-CXAGYDPISA-N 2 1 337.895 3.554 20 0 EHADMP CCn1nc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c2ccccc21 ZINC000472050372 1024486048 /nfs/dbraw/zinc/48/60/48/1024486048.db2.gz XXZSIODGLTZFSA-QGZVFWFLSA-N 2 1 328.504 3.658 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000414860020 1024513875 /nfs/dbraw/zinc/51/38/75/1024513875.db2.gz VCNRUDAFKWBLQX-MNOVXSKESA-N 2 1 331.685 3.580 20 0 EHADMP COCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000511020432 1024551074 /nfs/dbraw/zinc/55/10/74/1024551074.db2.gz VNTKZTAVYBSEOW-FQEVSTJZSA-N 2 1 332.532 3.734 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000487439188 1024603301 /nfs/dbraw/zinc/60/33/01/1024603301.db2.gz MNSSMNRVPRAGRC-PMACEKPBSA-N 2 1 345.531 3.521 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635794 1024625484 /nfs/dbraw/zinc/62/54/84/1024625484.db2.gz ZGOOUBSCGIUTFP-UKRRQHHQSA-N 2 1 332.875 3.599 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635794 1024625494 /nfs/dbraw/zinc/62/54/94/1024625494.db2.gz ZGOOUBSCGIUTFP-UKRRQHHQSA-N 2 1 332.875 3.599 20 0 EHADMP FC(F)(F)c1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262137919 1024633051 /nfs/dbraw/zinc/63/30/51/1024633051.db2.gz YXARWHSUDBBOTF-UHFFFAOYSA-N 2 1 332.797 3.934 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000514672067 1024658953 /nfs/dbraw/zinc/65/89/53/1024658953.db2.gz KEHFIDFLLQYRCA-GOSISDBHSA-N 2 1 341.524 3.781 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000514672067 1024658958 /nfs/dbraw/zinc/65/89/58/1024658958.db2.gz KEHFIDFLLQYRCA-GOSISDBHSA-N 2 1 341.524 3.781 20 0 EHADMP C[C@@H]1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009768 1024678919 /nfs/dbraw/zinc/67/89/19/1024678919.db2.gz HZVHRHKIRDTASZ-SFHLNBCPSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1CC([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168009768 1024678922 /nfs/dbraw/zinc/67/89/22/1024678922.db2.gz HZVHRHKIRDTASZ-SFHLNBCPSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168009768 1024678926 /nfs/dbraw/zinc/67/89/26/1024678926.db2.gz HZVHRHKIRDTASZ-SFHLNBCPSA-N 2 1 343.559 3.750 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000665231998 1024686748 /nfs/dbraw/zinc/68/67/48/1024686748.db2.gz CVLVFDZZZXGABS-BDTNDASRSA-N 2 1 335.495 3.802 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000346474875 1024760417 /nfs/dbraw/zinc/76/04/17/1024760417.db2.gz ARKLECWVWRRGJF-GFCCVEGCSA-N 2 1 342.270 3.898 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000346474875 1024760426 /nfs/dbraw/zinc/76/04/26/1024760426.db2.gz ARKLECWVWRRGJF-GFCCVEGCSA-N 2 1 342.270 3.898 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895788792 1024833738 /nfs/dbraw/zinc/83/37/38/1024833738.db2.gz HHLNZUBHOCTPKK-JBACZVJFSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895788792 1024833761 /nfs/dbraw/zinc/83/37/61/1024833761.db2.gz HHLNZUBHOCTPKK-JBACZVJFSA-N 2 1 340.511 3.903 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375028 1024841330 /nfs/dbraw/zinc/84/13/30/1024841330.db2.gz ZAOPUYIVLHZLDS-DOTOQJQBSA-N 2 1 340.467 3.540 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435370105 1024854072 /nfs/dbraw/zinc/85/40/72/1024854072.db2.gz HSMVDVNFINLUSU-INIZCTEOSA-N 2 1 346.906 3.574 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435370105 1024854091 /nfs/dbraw/zinc/85/40/91/1024854091.db2.gz HSMVDVNFINLUSU-INIZCTEOSA-N 2 1 346.906 3.574 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435387347 1024871691 /nfs/dbraw/zinc/87/16/91/1024871691.db2.gz ZRZHIUKTLGUQBV-OAHLLOKOSA-N 2 1 330.394 3.592 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424312 1024941974 /nfs/dbraw/zinc/94/19/74/1024941974.db2.gz BPKFKKRZMHWMQN-XPKDYRNWSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424312 1024941985 /nfs/dbraw/zinc/94/19/85/1024941985.db2.gz BPKFKKRZMHWMQN-XPKDYRNWSA-N 2 1 342.314 3.502 20 0 EHADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038796 1024942910 /nfs/dbraw/zinc/94/29/10/1024942910.db2.gz ZBYPTLPCAQHXIW-HOCLYGCPSA-N 2 1 342.405 3.548 20 0 EHADMP Fc1cccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000665254631 1024966090 /nfs/dbraw/zinc/96/60/90/1024966090.db2.gz VTBICSPNUFJRFT-PLOGVPAPSA-N 2 1 326.406 3.685 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146354 1024999983 /nfs/dbraw/zinc/99/99/83/1024999983.db2.gz XUBGPYZKRSXYDH-GOSISDBHSA-N 2 1 325.456 3.648 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146354 1024999994 /nfs/dbraw/zinc/99/99/94/1024999994.db2.gz XUBGPYZKRSXYDH-GOSISDBHSA-N 2 1 325.456 3.648 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146354 1025000008 /nfs/dbraw/zinc/00/00/08/1025000008.db2.gz XUBGPYZKRSXYDH-GOSISDBHSA-N 2 1 325.456 3.648 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146354 1025000017 /nfs/dbraw/zinc/00/00/17/1025000017.db2.gz XUBGPYZKRSXYDH-GOSISDBHSA-N 2 1 325.456 3.648 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942139 1025017224 /nfs/dbraw/zinc/01/72/24/1025017224.db2.gz XDZRXUSFQCGXRR-DFQSSKMNSA-N 2 1 348.531 3.873 20 0 EHADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@H]1CCC[NH2+]CC1 ZINC000435627524 1025047262 /nfs/dbraw/zinc/04/72/62/1025047262.db2.gz RTJQQSCXYPQBMG-SFHVURJKSA-N 2 1 334.467 3.575 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000657314463 1025064770 /nfs/dbraw/zinc/06/47/70/1025064770.db2.gz WQFXGLTYDYMWEG-GJZGRUSLSA-N 2 1 349.272 3.912 20 0 EHADMP Brc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000657314463 1025064776 /nfs/dbraw/zinc/06/47/76/1025064776.db2.gz WQFXGLTYDYMWEG-GJZGRUSLSA-N 2 1 349.272 3.912 20 0 EHADMP Cc1cccc(C)c1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683304 1025066141 /nfs/dbraw/zinc/06/61/41/1025066141.db2.gz HVPXYSBJMAVGLD-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1cccc(C)c1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683304 1025066151 /nfs/dbraw/zinc/06/61/51/1025066151.db2.gz HVPXYSBJMAVGLD-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000443977577 1025117024 /nfs/dbraw/zinc/11/70/24/1025117024.db2.gz DWSIYGLOYOTUAH-VQIMIIECSA-N 2 1 338.923 3.875 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443991345 1025165656 /nfs/dbraw/zinc/16/56/56/1025165656.db2.gz VQCCAYFGYAARHU-LBPRGKRZSA-N 2 1 335.439 3.764 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@@H]21 ZINC000346827256 1025212835 /nfs/dbraw/zinc/21/28/35/1025212835.db2.gz HYHIMFCPPOTETD-MBNYWOFBSA-N 2 1 330.806 3.501 20 0 EHADMP C[C@H]1CC([N@@H+]2CCC[C@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039230 1025223908 /nfs/dbraw/zinc/22/39/08/1025223908.db2.gz CJWLWFSBTWDPCK-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@H]1CC([N@H+]2CCC[C@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039230 1025223917 /nfs/dbraw/zinc/22/39/17/1025223917.db2.gz CJWLWFSBTWDPCK-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346838884 1025228159 /nfs/dbraw/zinc/22/81/59/1025228159.db2.gz RTPBERPEQQNCCF-PWIZWCRZSA-N 2 1 338.499 3.555 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@H](CO)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168041116 1025369686 /nfs/dbraw/zinc/36/96/86/1025369686.db2.gz QUPYOTJRWVTLCG-GGPKGHCWSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@H](CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041116 1025369691 /nfs/dbraw/zinc/36/96/91/1025369691.db2.gz QUPYOTJRWVTLCG-GGPKGHCWSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@H](CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041116 1025369704 /nfs/dbraw/zinc/36/97/04/1025369704.db2.gz QUPYOTJRWVTLCG-GGPKGHCWSA-N 2 1 330.516 3.522 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346992104 1025394068 /nfs/dbraw/zinc/39/40/68/1025394068.db2.gz ACQZPAQCUYOGOY-IAGOWNOFSA-N 2 1 326.488 3.555 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000518838222 1025426050 /nfs/dbraw/zinc/42/60/50/1025426050.db2.gz QAIHWYFIGUXDJG-MRXNPFEDSA-N 2 1 336.907 3.949 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000518838222 1025426055 /nfs/dbraw/zinc/42/60/55/1025426055.db2.gz QAIHWYFIGUXDJG-MRXNPFEDSA-N 2 1 336.907 3.949 20 0 EHADMP CC(C)(C)[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000442749318 1025463643 /nfs/dbraw/zinc/46/36/43/1025463643.db2.gz MIFQFFRFRUUQER-MRXNPFEDSA-N 2 1 328.460 3.768 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766130 1025476951 /nfs/dbraw/zinc/47/69/51/1025476951.db2.gz WCHLXMNTYWBJMF-YJBOKZPZSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(Cl)n3C)cc2)C1 ZINC000281823021 1025540170 /nfs/dbraw/zinc/54/01/70/1025540170.db2.gz XDYMMSUAAWHCLQ-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(Cl)n3C)cc2)C1 ZINC000281823021 1025540189 /nfs/dbraw/zinc/54/01/89/1025540189.db2.gz XDYMMSUAAWHCLQ-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@](O)(CF)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042279 1025545787 /nfs/dbraw/zinc/54/57/87/1025545787.db2.gz YQKASXAPDCDAJB-OPYAIIAOSA-N 2 1 348.506 3.615 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCCC2)cc1 ZINC000442878042 1025558326 /nfs/dbraw/zinc/55/83/26/1025558326.db2.gz SDCMMKJJMHNPCM-NRFANRHFSA-N 2 1 343.559 3.842 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000474039326 1025567469 /nfs/dbraw/zinc/56/74/69/1025567469.db2.gz STZULFNUJLKZGY-RYRKJORJSA-N 2 1 346.506 3.927 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cccs2)C2CCCC2)CC1(C)C ZINC000442893292 1025574390 /nfs/dbraw/zinc/57/43/90/1025574390.db2.gz XQORFPPQOQXMFA-GOSISDBHSA-N 2 1 335.561 3.595 20 0 EHADMP C([NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436313646 1025575333 /nfs/dbraw/zinc/57/53/33/1025575333.db2.gz XFOOQXDQCHLPJK-AYWYSENESA-N 2 1 334.548 3.968 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1Cl ZINC000442893802 1025575594 /nfs/dbraw/zinc/57/55/94/1025575594.db2.gz YAADPADBQUWBPQ-ZDUSSCGKSA-N 2 1 344.330 3.670 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000530321262 1025650852 /nfs/dbraw/zinc/65/08/52/1025650852.db2.gz XXZWNRVVZZKRSJ-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000530354825 1025697581 /nfs/dbraw/zinc/69/75/81/1025697581.db2.gz KDRRSCNQRJWWKY-CQSZACIVSA-N 2 1 326.271 3.880 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000530354995 1025697946 /nfs/dbraw/zinc/69/79/46/1025697946.db2.gz QNSGKKAJZRTMDF-LJQANCHMSA-N 2 1 340.858 3.585 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000474876594 1025748663 /nfs/dbraw/zinc/74/86/63/1025748663.db2.gz IIJHAYCBPXODSF-MJGOQNOKSA-N 2 1 330.520 3.867 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301342 1025786094 /nfs/dbraw/zinc/78/60/94/1025786094.db2.gz BXDCVRFLSLFCDM-ROUUACIJSA-N 2 1 342.433 3.638 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(C)C ZINC000582300950 1025796536 /nfs/dbraw/zinc/79/65/36/1025796536.db2.gz LJOLCIRARWLNHF-SLFFLAALSA-N 2 1 330.516 3.569 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(C)C ZINC000582300950 1025796545 /nfs/dbraw/zinc/79/65/45/1025796545.db2.gz LJOLCIRARWLNHF-SLFFLAALSA-N 2 1 330.516 3.569 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000474948162 1025929527 /nfs/dbraw/zinc/92/95/27/1025929527.db2.gz ZLFWTSVXOXPBMT-ILWGZMRPSA-N 2 1 335.495 3.780 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000467347528 1025993417 /nfs/dbraw/zinc/99/34/17/1025993417.db2.gz TUCBEUFJLGQHAY-WKWVNEEDSA-N 2 1 334.548 3.824 20 0 EHADMP CCCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000516215078 1026144555 /nfs/dbraw/zinc/14/45/55/1026144555.db2.gz DVWSHALSFVETRP-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000516215078 1026144565 /nfs/dbraw/zinc/14/45/65/1026144565.db2.gz DVWSHALSFVETRP-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000516215078 1026144576 /nfs/dbraw/zinc/14/45/76/1026144576.db2.gz DVWSHALSFVETRP-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000516215078 1026144581 /nfs/dbraw/zinc/14/45/81/1026144581.db2.gz DVWSHALSFVETRP-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP Fc1cccc(Br)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261778057 1026159401 /nfs/dbraw/zinc/15/94/01/1026159401.db2.gz FEVSMQITMHEAJY-MRXNPFEDSA-N 2 1 341.268 3.552 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603472 1026379489 /nfs/dbraw/zinc/37/94/89/1026379489.db2.gz YWFNFOXOCMDURY-XHDPSFHLSA-N 2 1 343.334 3.893 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603472 1026379474 /nfs/dbraw/zinc/37/94/74/1026379474.db2.gz YWFNFOXOCMDURY-XHDPSFHLSA-N 2 1 343.334 3.893 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000530901463 1026386351 /nfs/dbraw/zinc/38/63/51/1026386351.db2.gz BJJLYKPIMYCGOM-DZGCQCFKSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000530901463 1026386366 /nfs/dbraw/zinc/38/63/66/1026386366.db2.gz BJJLYKPIMYCGOM-DZGCQCFKSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000530901463 1026386376 /nfs/dbraw/zinc/38/63/76/1026386376.db2.gz BJJLYKPIMYCGOM-DZGCQCFKSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000530902140 1026389341 /nfs/dbraw/zinc/38/93/41/1026389341.db2.gz LEEDQTBLMJXGHR-GDBMZVCRSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000530902140 1026389348 /nfs/dbraw/zinc/38/93/48/1026389348.db2.gz LEEDQTBLMJXGHR-GDBMZVCRSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000530902140 1026389361 /nfs/dbraw/zinc/38/93/61/1026389361.db2.gz LEEDQTBLMJXGHR-GDBMZVCRSA-N 2 1 344.421 3.889 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905632 1026392552 /nfs/dbraw/zinc/39/25/52/1026392552.db2.gz UIJAUHSOTRIPFG-LSDHHAIUSA-N 2 1 344.421 3.889 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905632 1026392565 /nfs/dbraw/zinc/39/25/65/1026392565.db2.gz UIJAUHSOTRIPFG-LSDHHAIUSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905632 1026392576 /nfs/dbraw/zinc/39/25/76/1026392576.db2.gz UIJAUHSOTRIPFG-LSDHHAIUSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000530905632 1026392583 /nfs/dbraw/zinc/39/25/83/1026392583.db2.gz UIJAUHSOTRIPFG-LSDHHAIUSA-N 2 1 344.421 3.889 20 0 EHADMP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000582488549 1026408607 /nfs/dbraw/zinc/40/86/07/1026408607.db2.gz JPAJERZRJUTHDB-HDICACEKSA-N 2 1 341.524 3.804 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000475313243 1026469395 /nfs/dbraw/zinc/46/93/95/1026469395.db2.gz DEWGUTIPIBFARH-OSZJIOELSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)[C@@H]1COCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168061319 1026478340 /nfs/dbraw/zinc/47/83/40/1026478340.db2.gz HSQQKHCASZRTIT-OPYAIIAOSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@@H]1COCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168061319 1026478347 /nfs/dbraw/zinc/47/83/47/1026478347.db2.gz HSQQKHCASZRTIT-OPYAIIAOSA-N 2 1 330.516 3.785 20 0 EHADMP Cc1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)ccc1C[NH+](C)C ZINC000655430710 1026608805 /nfs/dbraw/zinc/60/88/05/1026608805.db2.gz UDALWMYYEOBHNB-UHFFFAOYSA-N 2 1 331.504 3.650 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000531152763 1026613762 /nfs/dbraw/zinc/61/37/62/1026613762.db2.gz PDOUEOUXPKHMHU-XMSQKQJNSA-N 2 1 348.490 3.963 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000531139967 1026621471 /nfs/dbraw/zinc/62/14/71/1026621471.db2.gz MFAYZWQJSGSFKP-ROUUACIJSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000531139967 1026621478 /nfs/dbraw/zinc/62/14/78/1026621478.db2.gz MFAYZWQJSGSFKP-ROUUACIJSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000531139967 1026621485 /nfs/dbraw/zinc/62/14/85/1026621485.db2.gz MFAYZWQJSGSFKP-ROUUACIJSA-N 2 1 334.504 3.659 20 0 EHADMP Fc1ccc2c(NCC[N@@H+]3CCc4sccc4C3)cc[nH+]c2c1 ZINC000301237004 1026733876 /nfs/dbraw/zinc/73/38/76/1026733876.db2.gz DLBKEKIPUAOLMQ-UHFFFAOYSA-N 2 1 327.428 3.906 20 0 EHADMP Fc1ccc2c(NCC[N@H+]3CCc4sccc4C3)cc[nH+]c2c1 ZINC000301237004 1026733881 /nfs/dbraw/zinc/73/38/81/1026733881.db2.gz DLBKEKIPUAOLMQ-UHFFFAOYSA-N 2 1 327.428 3.906 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3csc(-c4ccco4)n3)C2)CC1 ZINC000375999350 1026750301 /nfs/dbraw/zinc/75/03/01/1026750301.db2.gz KIZZNEVUHNWVQI-UHFFFAOYSA-N 2 1 331.485 3.711 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342718465 1026827134 /nfs/dbraw/zinc/82/71/34/1026827134.db2.gz YMCURVTUQIZSRI-RTBURBONSA-N 2 1 327.472 3.807 20 0 EHADMP c1ccc(CCN2CCC([NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954480 1026840924 /nfs/dbraw/zinc/84/09/24/1026840924.db2.gz UOGPLCFFJCHYES-NRFANRHFSA-N 2 1 335.495 3.756 20 0 EHADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000684956146 1026847805 /nfs/dbraw/zinc/84/78/05/1026847805.db2.gz ZPPVBQFXYWVBGK-TZIWHRDSSA-N 2 1 335.495 3.613 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000684956146 1026847815 /nfs/dbraw/zinc/84/78/15/1026847815.db2.gz ZPPVBQFXYWVBGK-TZIWHRDSSA-N 2 1 335.495 3.613 20 0 EHADMP c1cc(N2CCCC2)ncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000133234692 1026850151 /nfs/dbraw/zinc/85/01/51/1026850151.db2.gz PAPJMYJRDXAWFR-UHFFFAOYSA-N 2 1 342.531 3.569 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000342734656 1026891894 /nfs/dbraw/zinc/89/18/94/1026891894.db2.gz OBEGQTUUGRMETQ-BWMZKYQQSA-N 2 1 327.472 3.618 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000302035143 1027030701 /nfs/dbraw/zinc/03/07/01/1027030701.db2.gz FEABGUMITZKIAX-OAHLLOKOSA-N 2 1 330.501 3.733 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000302035143 1027030709 /nfs/dbraw/zinc/03/07/09/1027030709.db2.gz FEABGUMITZKIAX-OAHLLOKOSA-N 2 1 330.501 3.733 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000685004210 1027030908 /nfs/dbraw/zinc/03/09/08/1027030908.db2.gz KSGZQXVQXCJWIH-UHFFFAOYSA-N 2 1 345.531 3.748 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000443056819 1027173297 /nfs/dbraw/zinc/17/32/97/1027173297.db2.gz DFDZZZVZEMIOSL-HNNXBMFYSA-N 2 1 344.421 3.925 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C\c2ccccc2)[C@H](C)C1 ZINC000501428764 1027276148 /nfs/dbraw/zinc/27/61/48/1027276148.db2.gz ZFFTVWGTRFXQFW-GYBCBDBMSA-N 2 1 330.516 3.817 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453108813 1027378798 /nfs/dbraw/zinc/37/87/98/1027378798.db2.gz OJGQAIXJQQJHRA-CVEARBPZSA-N 2 1 337.471 3.579 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296029 1027435434 /nfs/dbraw/zinc/43/54/34/1027435434.db2.gz WLORXNAPMWOENO-HOCLYGCPSA-N 2 1 344.890 3.665 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]21 ZINC000420313917 1027461334 /nfs/dbraw/zinc/46/13/34/1027461334.db2.gz UUFZCFDQZAGTNX-LALPHHSUSA-N 2 1 349.450 3.648 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]21 ZINC000420313917 1027461344 /nfs/dbraw/zinc/46/13/44/1027461344.db2.gz UUFZCFDQZAGTNX-LALPHHSUSA-N 2 1 349.450 3.648 20 0 EHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337789 1027470173 /nfs/dbraw/zinc/47/01/73/1027470173.db2.gz XAZDTIMFTVHCTC-CHWSQXEVSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337789 1027470188 /nfs/dbraw/zinc/47/01/88/1027470188.db2.gz XAZDTIMFTVHCTC-CHWSQXEVSA-N 2 1 343.298 3.742 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346245 1027476531 /nfs/dbraw/zinc/47/65/31/1027476531.db2.gz XWXGDVIDGOKGKD-LJQANCHMSA-N 2 1 343.515 3.521 20 0 EHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)s1 ZINC000420326033 1027479334 /nfs/dbraw/zinc/47/93/34/1027479334.db2.gz WYLCHOMVYBJUSO-GOEBONIOSA-N 2 1 347.528 3.758 20 0 EHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332600 1027482060 /nfs/dbraw/zinc/48/20/60/1027482060.db2.gz GOZQBMONNLTWLJ-HIFRSBDPSA-N 2 1 348.441 3.956 20 0 EHADMP Fc1cc(Br)cc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420363728 1027488413 /nfs/dbraw/zinc/48/84/13/1027488413.db2.gz CEABBJIRWFHEPZ-MLGOLLRUSA-N 2 1 341.268 3.725 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(OC(C)C)c2)cc1 ZINC000420371070 1027497971 /nfs/dbraw/zinc/49/79/71/1027497971.db2.gz KCWYTWPVLFMWCZ-IBGZPJMESA-N 2 1 342.483 3.657 20 0 EHADMP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657597258 1027559148 /nfs/dbraw/zinc/55/91/48/1027559148.db2.gz RJOXRUQMNQZYCP-HXUWFJFHSA-N 2 1 344.886 3.505 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c(C)s1 ZINC001279595592 1027626816 /nfs/dbraw/zinc/62/68/16/1027626816.db2.gz UEGWOZGFVFSGGX-FQEVSTJZSA-N 2 1 349.588 3.605 20 0 EHADMP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1Br ZINC000475576662 1027681895 /nfs/dbraw/zinc/68/18/95/1027681895.db2.gz ATVAOZRPWVWWCB-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP [NH3+]C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000414650318 1027698654 /nfs/dbraw/zinc/69/86/54/1027698654.db2.gz DAHOGCRMPLSLRW-UHFFFAOYSA-N 2 1 348.849 3.981 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000414660597 1027740091 /nfs/dbraw/zinc/74/00/91/1027740091.db2.gz VLDCLZINUMHZNB-DFNIBXOVSA-N 2 1 346.515 3.979 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC ZINC000414660597 1027740109 /nfs/dbraw/zinc/74/01/09/1027740109.db2.gz VLDCLZINUMHZNB-DFNIBXOVSA-N 2 1 346.515 3.979 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414666904 1027771098 /nfs/dbraw/zinc/77/10/98/1027771098.db2.gz XBJGCJPGHRASAK-QFBILLFUSA-N 2 1 342.458 3.964 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607471 1027792159 /nfs/dbraw/zinc/79/21/59/1027792159.db2.gz GTCBJVHUXQOZIE-HOTGVXAUSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607471 1027792182 /nfs/dbraw/zinc/79/21/82/1027792182.db2.gz GTCBJVHUXQOZIE-HOTGVXAUSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607471 1027792199 /nfs/dbraw/zinc/79/21/99/1027792199.db2.gz GTCBJVHUXQOZIE-HOTGVXAUSA-N 2 1 329.513 3.960 20 0 EHADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000533408303 1027816857 /nfs/dbraw/zinc/81/68/57/1027816857.db2.gz XEACXRWYPBDPQK-UHFFFAOYSA-N 2 1 345.531 3.603 20 0 EHADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000533408303 1027816875 /nfs/dbraw/zinc/81/68/75/1027816875.db2.gz XEACXRWYPBDPQK-UHFFFAOYSA-N 2 1 345.531 3.603 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccccc2n1C ZINC000246149995 1027823989 /nfs/dbraw/zinc/82/39/89/1027823989.db2.gz SVTSTCZOIRSWSE-DLBZAZTESA-N 2 1 328.504 3.736 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C)c1 ZINC000414682209 1027871666 /nfs/dbraw/zinc/87/16/66/1027871666.db2.gz YCYRQQJOHIHWID-HOTGVXAUSA-N 2 1 334.504 3.692 20 0 EHADMP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000503559389 1027893682 /nfs/dbraw/zinc/89/36/82/1027893682.db2.gz GUEBSYJOEGEMDM-LTBFUDJGSA-N 2 1 326.406 3.992 20 0 EHADMP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000503559389 1027893705 /nfs/dbraw/zinc/89/37/05/1027893705.db2.gz GUEBSYJOEGEMDM-LTBFUDJGSA-N 2 1 326.406 3.992 20 0 EHADMP C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000422775617 1027932724 /nfs/dbraw/zinc/93/27/24/1027932724.db2.gz ASLOVSQRJGGSBZ-LLVKDONJSA-N 2 1 340.254 3.921 20 0 EHADMP CN(C)c1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000422804936 1027954245 /nfs/dbraw/zinc/95/42/45/1027954245.db2.gz ILVKICRFKJOCLE-QUCCMNQESA-N 2 1 332.451 3.535 20 0 EHADMP CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422827814 1027972130 /nfs/dbraw/zinc/97/21/30/1027972130.db2.gz NMSKGNUHHVTIDD-APWZRJJASA-N 2 1 342.483 3.532 20 0 EHADMP N[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000422830624 1027973841 /nfs/dbraw/zinc/97/38/41/1027973841.db2.gz RFYRQXFSLLLVRM-UXHICEINSA-N 2 1 341.524 3.695 20 0 EHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422886799 1028023640 /nfs/dbraw/zinc/02/36/40/1028023640.db2.gz XSUZQPYHXGGSEH-DLBZAZTESA-N 2 1 336.357 3.862 20 0 EHADMP Fc1ccccc1C1([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422940624 1028068980 /nfs/dbraw/zinc/06/89/80/1028068980.db2.gz HGLGMEZPBIAPEP-AZUAARDMSA-N 2 1 338.426 3.660 20 0 EHADMP Cc1sc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422942221 1028070836 /nfs/dbraw/zinc/07/08/36/1028070836.db2.gz JCGBZSKCXOJOAI-UKRRQHHQSA-N 2 1 335.904 3.989 20 0 EHADMP C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422950164 1028088463 /nfs/dbraw/zinc/08/84/63/1028088463.db2.gz XFUXRVLJENUJBV-FZKQIMNGSA-N 2 1 345.284 3.736 20 0 EHADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444621316 1028093149 /nfs/dbraw/zinc/09/31/49/1028093149.db2.gz YXXXBXDCIMXSTG-IBGZPJMESA-N 2 1 340.515 3.685 20 0 EHADMP C[C@H]1CCNC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970219 1028103317 /nfs/dbraw/zinc/10/33/17/1028103317.db2.gz VWJIANNARRELOS-HTAPYJJXSA-N 3 1 337.511 3.503 20 0 EHADMP CCCCOc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000414709916 1028108463 /nfs/dbraw/zinc/10/84/63/1028108463.db2.gz FLDQBYJFYRDECC-SFHVURJKSA-N 2 1 334.504 3.838 20 0 EHADMP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccccc2OC)cc1 ZINC000423000710 1028116811 /nfs/dbraw/zinc/11/68/11/1028116811.db2.gz HEYWGJDCRRQCPM-SXGZJXTBSA-N 2 1 328.456 3.509 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423060455 1028153192 /nfs/dbraw/zinc/15/31/92/1028153192.db2.gz OKQSDTPHIHVKOW-IRXDYDNUSA-N 2 1 331.257 3.992 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423102341 1028182477 /nfs/dbraw/zinc/18/24/77/1028182477.db2.gz JXPFJIXCKTZWIW-PWIZWCRZSA-N 2 1 345.506 3.826 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423115735 1028187905 /nfs/dbraw/zinc/18/79/05/1028187905.db2.gz YPQDDAUBFUSZEH-SRVKXCTJSA-N 2 1 329.257 3.627 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503926233 1028218841 /nfs/dbraw/zinc/21/88/41/1028218841.db2.gz MXEQOBFETRJLKF-VDHUWJSZSA-N 2 1 338.442 3.647 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423171488 1028239564 /nfs/dbraw/zinc/23/95/64/1028239564.db2.gz OQJNMJURHALIKN-ZWNOBZJWSA-N 2 1 331.685 3.580 20 0 EHADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423171486 1028240335 /nfs/dbraw/zinc/24/03/35/1028240335.db2.gz OQJNMJURHALIKN-GXFFZTMASA-N 2 1 331.685 3.580 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423193360 1028261088 /nfs/dbraw/zinc/26/10/88/1028261088.db2.gz XGJHXGHDKSUBKU-FQEVSTJZSA-N 2 1 343.902 3.826 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000423193663 1028262261 /nfs/dbraw/zinc/26/22/61/1028262261.db2.gz XSJDHMGFEHADGK-CQSZACIVSA-N 2 1 337.389 3.931 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423220239 1028288733 /nfs/dbraw/zinc/28/87/33/1028288733.db2.gz VDNJAGCYHJJOTI-SDDRHHMPSA-N 2 1 329.257 3.627 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000423249381 1028308793 /nfs/dbraw/zinc/30/87/93/1028308793.db2.gz SVZSZUIWVKEPBA-WBADGQHESA-N 2 1 349.522 3.577 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423317164 1028346201 /nfs/dbraw/zinc/34/62/01/1028346201.db2.gz CLKYXUGXHGEYHM-QMTHXVAHSA-N 2 1 341.318 3.703 20 0 EHADMP CCCCCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000414732003 1028354702 /nfs/dbraw/zinc/35/47/02/1028354702.db2.gz FPHNYACXTFQHRT-GOSISDBHSA-N 2 1 334.504 3.838 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423332257 1028367885 /nfs/dbraw/zinc/36/78/85/1028367885.db2.gz PGFQQGKATNHBCQ-JKSUJKDBSA-N 2 1 325.294 3.880 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423387402 1028401929 /nfs/dbraw/zinc/40/19/29/1028401929.db2.gz SCWCOVIGKDNQBW-GRDNDAEWSA-N 2 1 329.513 3.833 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466279 1028453107 /nfs/dbraw/zinc/45/31/07/1028453107.db2.gz NFYAFYFEPFGDBV-UKRRQHHQSA-N 2 1 331.485 3.523 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423503560 1028469226 /nfs/dbraw/zinc/46/92/26/1028469226.db2.gz FAMUAMZPAVTMMV-MVYVIFSASA-N 2 1 349.950 3.638 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CC2)CC[N@H+]1C ZINC000162157873 1028477522 /nfs/dbraw/zinc/47/75/22/1028477522.db2.gz PTFVXUOQZPERQC-UONOGXRCSA-N 2 1 337.305 3.553 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000236262224 1028512917 /nfs/dbraw/zinc/51/29/17/1028512917.db2.gz XQLCBSUWIBUKII-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423494946 1028480153 /nfs/dbraw/zinc/48/01/53/1028480153.db2.gz SXGRLKUWKSWNJF-BBRMVZONSA-N 2 1 331.287 3.659 20 0 EHADMP CC(C)[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(F)cn1 ZINC000423517703 1028493099 /nfs/dbraw/zinc/49/30/99/1028493099.db2.gz BUHWTNDLGGISMJ-IWTNNEHZSA-N 2 1 331.479 3.661 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000236262224 1028512906 /nfs/dbraw/zinc/51/29/06/1028512906.db2.gz XQLCBSUWIBUKII-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000072974721 1028533007 /nfs/dbraw/zinc/53/30/07/1028533007.db2.gz PKAYYZLJICBIII-RBUKOAKNSA-N 2 1 343.515 3.602 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072974721 1028533013 /nfs/dbraw/zinc/53/30/13/1028533013.db2.gz PKAYYZLJICBIII-RBUKOAKNSA-N 2 1 343.515 3.602 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072974721 1028533021 /nfs/dbraw/zinc/53/30/21/1028533021.db2.gz PKAYYZLJICBIII-RBUKOAKNSA-N 2 1 343.515 3.602 20 0 EHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136058 1028583810 /nfs/dbraw/zinc/58/38/10/1028583810.db2.gz XOVBXAJVWRXETL-WBVHZDCISA-N 2 1 330.497 3.929 20 0 EHADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195132666 1028584661 /nfs/dbraw/zinc/58/46/61/1028584661.db2.gz XWWUWBXZNOUXJS-HKUYNNGSSA-N 2 1 326.488 3.637 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c2C1 ZINC000074563425 1028624182 /nfs/dbraw/zinc/62/41/82/1028624182.db2.gz OEIWEMOXSYUPTG-MRXNPFEDSA-N 2 1 329.488 3.615 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c2C1 ZINC000074563425 1028624196 /nfs/dbraw/zinc/62/41/96/1028624196.db2.gz OEIWEMOXSYUPTG-MRXNPFEDSA-N 2 1 329.488 3.615 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000246549922 1028655231 /nfs/dbraw/zinc/65/52/31/1028655231.db2.gz WLTGSNDAKLHUAD-MSOLQXFVSA-N 2 1 341.524 3.877 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnn(C)c1 ZINC000246841374 1028701933 /nfs/dbraw/zinc/70/19/33/1028701933.db2.gz CESNNDQXPCXURX-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000414770839 1028743303 /nfs/dbraw/zinc/74/33/03/1028743303.db2.gz YPNVXAGMDKZQDF-CQSZACIVSA-N 2 1 326.406 3.884 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccn1 ZINC000247231326 1028759208 /nfs/dbraw/zinc/75/92/08/1028759208.db2.gz YHXOLZXMRRKOLN-FGTMMUONSA-N 2 1 338.499 3.805 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccn1 ZINC000247231326 1028759213 /nfs/dbraw/zinc/75/92/13/1028759213.db2.gz YHXOLZXMRRKOLN-FGTMMUONSA-N 2 1 338.499 3.805 20 0 EHADMP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000421800319 1028789643 /nfs/dbraw/zinc/78/96/43/1028789643.db2.gz HGKWWLQYKSEJEX-GOSISDBHSA-N 2 1 330.516 3.978 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Oc1cccnc1 ZINC000508530181 1028816068 /nfs/dbraw/zinc/81/60/68/1028816068.db2.gz GAICPQUGTOTQTH-IBGZPJMESA-N 2 1 339.483 3.956 20 0 EHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1Oc1cccnc1 ZINC000508530181 1028816073 /nfs/dbraw/zinc/81/60/73/1028816073.db2.gz GAICPQUGTOTQTH-IBGZPJMESA-N 2 1 339.483 3.956 20 0 EHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1Oc1cccnc1 ZINC000508530181 1028816077 /nfs/dbraw/zinc/81/60/77/1028816077.db2.gz GAICPQUGTOTQTH-IBGZPJMESA-N 2 1 339.483 3.956 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414776378 1028829294 /nfs/dbraw/zinc/82/92/94/1028829294.db2.gz HFJNDUJUKDBWRY-OLZOCXBDSA-N 2 1 343.334 3.641 20 0 EHADMP CC[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000247978366 1028837266 /nfs/dbraw/zinc/83/72/66/1028837266.db2.gz IBISLHNQNSASJI-NJVDNQLDSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000247978366 1028837286 /nfs/dbraw/zinc/83/72/86/1028837286.db2.gz IBISLHNQNSASJI-NJVDNQLDSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000247978366 1028837307 /nfs/dbraw/zinc/83/73/07/1028837307.db2.gz IBISLHNQNSASJI-NJVDNQLDSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)n1cncc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000424157015 1028848054 /nfs/dbraw/zinc/84/80/54/1028848054.db2.gz QGHMALQFSDSEKZ-ROUUACIJSA-N 2 1 340.515 3.710 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000421858320 1028849887 /nfs/dbraw/zinc/84/98/87/1028849887.db2.gz RFLKNIGOAPPSDD-CABCVRRESA-N 2 1 342.886 3.501 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000421858320 1028849909 /nfs/dbraw/zinc/84/99/09/1028849909.db2.gz RFLKNIGOAPPSDD-CABCVRRESA-N 2 1 342.886 3.501 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248391439 1028879142 /nfs/dbraw/zinc/87/91/42/1028879142.db2.gz CFPBUTCDFNYMJK-FCEWJHQRSA-N 2 1 343.515 3.949 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000248545376 1028889853 /nfs/dbraw/zinc/88/98/53/1028889853.db2.gz DIFQQFUVHJOKEI-NRSPTQNISA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000248545376 1028889864 /nfs/dbraw/zinc/88/98/64/1028889864.db2.gz DIFQQFUVHJOKEI-NRSPTQNISA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCO[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000248545376 1028889880 /nfs/dbraw/zinc/88/98/80/1028889880.db2.gz DIFQQFUVHJOKEI-NRSPTQNISA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCO[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000248545376 1028889890 /nfs/dbraw/zinc/88/98/90/1028889890.db2.gz DIFQQFUVHJOKEI-NRSPTQNISA-N 2 1 346.515 3.515 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248458129 1028909979 /nfs/dbraw/zinc/90/99/79/1028909979.db2.gz ULXYIAWTYPZVPE-VXKWHMMOSA-N 2 1 338.495 3.884 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299801 1028941146 /nfs/dbraw/zinc/94/11/46/1028941146.db2.gz VWMXATGWPJAGFB-CYBMUJFWSA-N 2 1 331.485 3.676 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1OC(F)F)CC[NH2+]CC2 ZINC000424283174 1028959040 /nfs/dbraw/zinc/95/90/40/1028959040.db2.gz AZECQHUPHQAISV-GFCCVEGCSA-N 2 1 344.833 3.905 20 0 EHADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000249125279 1028991576 /nfs/dbraw/zinc/99/15/76/1028991576.db2.gz UBUGZQXTSMDJLF-WLRLJWMZSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000249125279 1028991588 /nfs/dbraw/zinc/99/15/88/1028991588.db2.gz UBUGZQXTSMDJLF-WLRLJWMZSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000249125279 1028991602 /nfs/dbraw/zinc/99/16/02/1028991602.db2.gz UBUGZQXTSMDJLF-WLRLJWMZSA-N 2 1 328.500 3.540 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000503051153 1028997621 /nfs/dbraw/zinc/99/76/21/1028997621.db2.gz HGCZQURCSZMQKF-HNNXBMFYSA-N 2 1 325.294 3.758 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000503047418 1029011609 /nfs/dbraw/zinc/01/16/09/1029011609.db2.gz USGHTGNOYFDZFW-WJMWBRGCSA-N 2 1 330.516 3.517 20 0 EHADMP COc1ccc([C@H](NCC[C@@H]2CCC[N@H+]2C)c2ccc(F)cc2)cc1 ZINC000503073053 1029028322 /nfs/dbraw/zinc/02/83/22/1029028322.db2.gz MJYDRCKJRGZMPS-PZJWPPBQSA-N 2 1 342.458 3.998 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OCC ZINC000424383333 1029039546 /nfs/dbraw/zinc/03/95/46/1029039546.db2.gz UEOHROVWNMUIFO-KRWDZBQOSA-N 2 1 346.515 3.838 20 0 EHADMP OC1(C2(C[NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526317 1029049343 /nfs/dbraw/zinc/04/93/43/1029049343.db2.gz ZLTLZIBEVUPHHS-UYAOXDASSA-N 2 1 340.511 3.639 20 0 EHADMP OC1(C2(C[NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526317 1029049361 /nfs/dbraw/zinc/04/93/61/1029049361.db2.gz ZLTLZIBEVUPHHS-UYAOXDASSA-N 2 1 340.511 3.639 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000245714117 1029113222 /nfs/dbraw/zinc/11/32/22/1029113222.db2.gz NTUZSJLMBIPCSE-LRGNLBRXSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000414807368 1029254834 /nfs/dbraw/zinc/25/48/34/1029254834.db2.gz CSIYJVVKZHNOBI-CBGDNZLLSA-N 3 1 329.532 3.839 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245764503 1029262256 /nfs/dbraw/zinc/26/22/56/1029262256.db2.gz WDQOSJPMAQCBPU-RSPOEFSDSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000414808515 1029275576 /nfs/dbraw/zinc/27/55/76/1029275576.db2.gz KVNFTSSFOYPNPS-AIZKBTNYSA-N 3 1 349.522 3.707 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccn1 ZINC000245929347 1029489843 /nfs/dbraw/zinc/48/98/43/1029489843.db2.gz PALUYMNMHUDPEN-FGTMMUONSA-N 2 1 339.483 3.542 20 0 EHADMP C[C@H]1CC[N@@H+](CCNCC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000524771152 1029499488 /nfs/dbraw/zinc/49/94/88/1029499488.db2.gz ICVREAPWCPZNRR-LBPRGKRZSA-N 2 1 341.282 3.701 20 0 EHADMP CC1(C)CCc2ccccc2[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655764052 1029589881 /nfs/dbraw/zinc/58/98/81/1029589881.db2.gz VGJCGXNSKUROOB-TZIWHRDSSA-N 2 1 342.527 3.933 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000246040721 1029594423 /nfs/dbraw/zinc/59/44/23/1029594423.db2.gz XBFCSKMLZRUGEA-RTBURBONSA-N 2 1 340.515 3.683 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703044 1029763438 /nfs/dbraw/zinc/76/34/38/1029763438.db2.gz XFBLBIJFAWAUKB-KSEOMHKRSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703044 1029763446 /nfs/dbraw/zinc/76/34/46/1029763446.db2.gz XFBLBIJFAWAUKB-KSEOMHKRSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703044 1029763453 /nfs/dbraw/zinc/76/34/53/1029763453.db2.gz XFBLBIJFAWAUKB-KSEOMHKRSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CCc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714913 1029776814 /nfs/dbraw/zinc/77/68/14/1029776814.db2.gz HVDVDAGUBUXOHD-FXAWDEMLSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716229 1029797471 /nfs/dbraw/zinc/79/74/71/1029797471.db2.gz KJUGZDBCOUBZET-SVFBPWRDSA-N 2 1 338.495 3.954 20 0 EHADMP CC[C@@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)[NH+](CC)CC ZINC000446844399 1029824132 /nfs/dbraw/zinc/82/41/32/1029824132.db2.gz GTKBATOIEKRJKB-IBGZPJMESA-N 2 1 331.504 3.717 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721452 1029831927 /nfs/dbraw/zinc/83/19/27/1029831927.db2.gz UUEBQVWWPOMORJ-FKVLARQCSA-N 2 1 344.543 3.938 20 0 EHADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000525488505 1029867328 /nfs/dbraw/zinc/86/73/28/1029867328.db2.gz UFUROJHYOWEJQA-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000525488505 1029867337 /nfs/dbraw/zinc/86/73/37/1029867337.db2.gz UFUROJHYOWEJQA-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000525488505 1029867344 /nfs/dbraw/zinc/86/73/44/1029867344.db2.gz UFUROJHYOWEJQA-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000428463664 1029875545 /nfs/dbraw/zinc/87/55/45/1029875545.db2.gz SIKMAPBGJHWDON-UWJYYQICSA-N 2 1 327.516 3.591 20 0 EHADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)sc1Br ZINC000469997623 1029937397 /nfs/dbraw/zinc/93/73/97/1029937397.db2.gz BCUFKQYUYJPZKQ-FOSCPWQOSA-N 2 1 329.307 3.534 20 0 EHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)sc1Br ZINC000469997623 1029937409 /nfs/dbraw/zinc/93/74/09/1029937409.db2.gz BCUFKQYUYJPZKQ-FOSCPWQOSA-N 2 1 329.307 3.534 20 0 EHADMP C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453240279 1029967545 /nfs/dbraw/zinc/96/75/45/1029967545.db2.gz VQOSKAFMFNNTAW-BDKRGJGYSA-N 2 1 344.543 3.675 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)[C@@H](C)C1 ZINC000453243118 1029969982 /nfs/dbraw/zinc/96/99/82/1029969982.db2.gz YNDUOAHBUINRTI-NDXORKPFSA-N 2 1 348.506 3.930 20 0 EHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525625913 1029996822 /nfs/dbraw/zinc/99/68/22/1029996822.db2.gz SEHWRPWIKRTACY-CBNMVNINSA-N 2 1 349.607 3.941 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000525709503 1030048212 /nfs/dbraw/zinc/04/82/12/1030048212.db2.gz IFRUGSXADVIFFV-WMZOPIPTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000525709503 1030048222 /nfs/dbraw/zinc/04/82/22/1030048222.db2.gz IFRUGSXADVIFFV-WMZOPIPTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000525709588 1030048834 /nfs/dbraw/zinc/04/88/34/1030048834.db2.gz RENDBEFFBJBFAN-UKRRQHHQSA-N 2 1 340.895 3.710 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000525709588 1030048852 /nfs/dbraw/zinc/04/88/52/1030048852.db2.gz RENDBEFFBJBFAN-UKRRQHHQSA-N 2 1 340.895 3.710 20 0 EHADMP C[N@@H+](CCC[NH2+]C1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000120770565 1030086665 /nfs/dbraw/zinc/08/66/65/1030086665.db2.gz XXHAZYLXAFQUOJ-UHFFFAOYSA-N 2 1 329.532 3.900 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000157795883 1030089134 /nfs/dbraw/zinc/08/91/34/1030089134.db2.gz DJSLGFBJMYZYMC-OKKATSDQSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000157795883 1030089153 /nfs/dbraw/zinc/08/91/53/1030089153.db2.gz DJSLGFBJMYZYMC-OKKATSDQSA-N 2 1 337.305 3.767 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000481950457 1030129370 /nfs/dbraw/zinc/12/93/70/1030129370.db2.gz BJRDKMWCGNVGBH-IAGOWNOFSA-N 2 1 328.504 3.788 20 0 EHADMP Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C2CCCCC2)n1 ZINC000120938026 1030131918 /nfs/dbraw/zinc/13/19/18/1030131918.db2.gz XBHBWLIUJSHKLP-UHFFFAOYSA-N 2 1 332.536 3.867 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000453372484 1030190605 /nfs/dbraw/zinc/19/06/05/1030190605.db2.gz GKNAVFQEXQBPDM-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722330 1030193346 /nfs/dbraw/zinc/19/33/46/1030193346.db2.gz PTXGAHYIONGVCN-CEWLAPEOSA-N 2 1 346.515 3.726 20 0 EHADMP CC(C)c1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650723283 1030195513 /nfs/dbraw/zinc/19/55/13/1030195513.db2.gz KRPICTKUDAOTNO-NJDAHSKKSA-N 2 1 330.516 3.713 20 0 EHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650722772 1030195905 /nfs/dbraw/zinc/19/59/05/1030195905.db2.gz AUNSMSCEPXFHMZ-UAGQMJEPSA-N 2 1 336.545 3.906 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(-c2ccccc2)nn1C ZINC000453394403 1030245919 /nfs/dbraw/zinc/24/59/19/1030245919.db2.gz GTOITYIHSMORCW-INIZCTEOSA-N 2 1 326.488 3.612 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000091321130 1030257271 /nfs/dbraw/zinc/25/72/71/1030257271.db2.gz AJVPWCROHKTDSL-PXAZEXFGSA-N 2 1 348.288 3.867 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Br)c1 ZINC000453442040 1030261872 /nfs/dbraw/zinc/26/18/72/1030261872.db2.gz XUWUEKOZGGNXPB-CYBMUJFWSA-N 2 1 325.294 3.974 20 0 EHADMP Brc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000059647650 1030293794 /nfs/dbraw/zinc/29/37/94/1030293794.db2.gz JAOZFXZKXIWDRK-UHFFFAOYSA-N 2 1 343.334 3.818 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000121702210 1030348730 /nfs/dbraw/zinc/34/87/30/1030348730.db2.gz NOGOROSUIRDNBY-YLJYHZDGSA-N 2 1 340.515 3.816 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000121702210 1030348754 /nfs/dbraw/zinc/34/87/54/1030348754.db2.gz NOGOROSUIRDNBY-YLJYHZDGSA-N 2 1 340.515 3.816 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1)C1CC1 ZINC000453596553 1030356048 /nfs/dbraw/zinc/35/60/48/1030356048.db2.gz LTNNDDVHBXVLQA-UHFFFAOYSA-N 2 1 332.879 3.694 20 0 EHADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCCC1 ZINC000526118681 1030434554 /nfs/dbraw/zinc/43/45/54/1030434554.db2.gz NZRQGTLGAVJWNH-QMMLZNLJSA-N 2 1 330.516 3.834 20 0 EHADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCCC1 ZINC000526118681 1030434561 /nfs/dbraw/zinc/43/45/61/1030434561.db2.gz NZRQGTLGAVJWNH-QMMLZNLJSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187673 1030466797 /nfs/dbraw/zinc/46/67/97/1030466797.db2.gz XQCOCKWJGAXSFO-HOTGVXAUSA-N 2 1 349.569 3.757 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000532200173 1030476151 /nfs/dbraw/zinc/47/61/51/1030476151.db2.gz ZBQGUFVQMZJEHR-OAHLLOKOSA-N 2 1 349.434 3.803 20 0 EHADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000092720629 1030503872 /nfs/dbraw/zinc/50/38/72/1030503872.db2.gz STKHNHQRONMUNT-GJZGRUSLSA-N 2 1 339.549 3.556 20 0 EHADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000092720629 1030503877 /nfs/dbraw/zinc/50/38/77/1030503877.db2.gz STKHNHQRONMUNT-GJZGRUSLSA-N 2 1 339.549 3.556 20 0 EHADMP C(C1CCCC1)[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151116896 1030536836 /nfs/dbraw/zinc/53/68/36/1030536836.db2.gz DMBAXCBXGAZZPI-FQEVSTJZSA-N 2 1 333.564 3.638 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)o1 ZINC000278389524 1030552343 /nfs/dbraw/zinc/55/23/43/1030552343.db2.gz DPQFDQGUUJVFLV-CQSZACIVSA-N 2 1 328.460 3.623 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563877 1030629650 /nfs/dbraw/zinc/62/96/50/1030629650.db2.gz VVKMGKYXARHIOH-FQEVSTJZSA-N 2 1 338.499 3.835 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563877 1030629661 /nfs/dbraw/zinc/62/96/61/1030629661.db2.gz VVKMGKYXARHIOH-FQEVSTJZSA-N 2 1 338.499 3.835 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660057 1030646309 /nfs/dbraw/zinc/64/63/09/1030646309.db2.gz ZIFOUGPKEYBUDA-INIZCTEOSA-N 2 1 330.451 3.522 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660057 1030646317 /nfs/dbraw/zinc/64/63/17/1030646317.db2.gz ZIFOUGPKEYBUDA-INIZCTEOSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660057 1030646325 /nfs/dbraw/zinc/64/63/25/1030646325.db2.gz ZIFOUGPKEYBUDA-INIZCTEOSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660057 1030646330 /nfs/dbraw/zinc/64/63/30/1030646330.db2.gz ZIFOUGPKEYBUDA-INIZCTEOSA-N 2 1 330.451 3.522 20 0 EHADMP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000568051088 1030659486 /nfs/dbraw/zinc/65/94/86/1030659486.db2.gz WRKPRTXPXPAYFC-GOSISDBHSA-N 2 1 341.524 3.861 20 0 EHADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000583761135 1030662573 /nfs/dbraw/zinc/66/25/73/1030662573.db2.gz ICXJMSJLXGJXME-APWZRJJASA-N 2 1 327.472 3.835 20 0 EHADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000583761135 1030662582 /nfs/dbraw/zinc/66/25/82/1030662582.db2.gz ICXJMSJLXGJXME-APWZRJJASA-N 2 1 327.472 3.835 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000448027625 1030683479 /nfs/dbraw/zinc/68/34/79/1030683479.db2.gz NSPOHTSIIUIQLA-HLAWJBBLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448027625 1030683505 /nfs/dbraw/zinc/68/35/05/1030683505.db2.gz NSPOHTSIIUIQLA-HLAWJBBLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448027625 1030683511 /nfs/dbraw/zinc/68/35/11/1030683511.db2.gz NSPOHTSIIUIQLA-HLAWJBBLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448027625 1030683520 /nfs/dbraw/zinc/68/35/20/1030683520.db2.gz NSPOHTSIIUIQLA-HLAWJBBLSA-N 2 1 343.559 3.607 20 0 EHADMP CN(C)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000550893564 1030775341 /nfs/dbraw/zinc/77/53/41/1030775341.db2.gz ZOGVVLMRJGXRNN-UHFFFAOYSA-N 2 1 343.559 3.894 20 0 EHADMP C[NH+](C)C1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000550893564 1030775357 /nfs/dbraw/zinc/77/53/57/1030775357.db2.gz ZOGVVLMRJGXRNN-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](C)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000550893564 1030775373 /nfs/dbraw/zinc/77/53/73/1030775373.db2.gz ZOGVVLMRJGXRNN-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942871 1030834999 /nfs/dbraw/zinc/83/49/99/1030834999.db2.gz GFKYRBWBYCEUMS-AZUAARDMSA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942871 1030835021 /nfs/dbraw/zinc/83/50/21/1030835021.db2.gz GFKYRBWBYCEUMS-AZUAARDMSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000171977673 1030857268 /nfs/dbraw/zinc/85/72/68/1030857268.db2.gz ONZXDSFQFCCHLU-KSZLIROESA-N 2 1 339.483 3.542 20 0 EHADMP Cc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)cc1 ZINC000123104097 1030921226 /nfs/dbraw/zinc/92/12/26/1030921226.db2.gz HGHXOYSDDFYQAI-UHFFFAOYSA-N 2 1 342.487 3.599 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000551029889 1030940399 /nfs/dbraw/zinc/94/03/99/1030940399.db2.gz CEUZFSKVQCNSAI-UYAOXDASSA-N 2 1 342.458 3.802 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000551029889 1030940419 /nfs/dbraw/zinc/94/04/19/1030940419.db2.gz CEUZFSKVQCNSAI-UYAOXDASSA-N 2 1 342.458 3.802 20 0 EHADMP FC(F)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000527514522 1030961303 /nfs/dbraw/zinc/96/13/03/1030961303.db2.gz HJRVSALTOOHJTA-UHFFFAOYSA-N 2 1 346.421 3.746 20 0 EHADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000157992379 1030998919 /nfs/dbraw/zinc/99/89/19/1030998919.db2.gz WJGAUXFEOPMQRZ-GOSISDBHSA-N 2 1 333.435 3.870 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000551083811 1031025472 /nfs/dbraw/zinc/02/54/72/1031025472.db2.gz MINUEIKUKQAEAQ-WBADGQHESA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000551083811 1031025484 /nfs/dbraw/zinc/02/54/84/1031025484.db2.gz MINUEIKUKQAEAQ-WBADGQHESA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000551083811 1031025500 /nfs/dbraw/zinc/02/55/00/1031025500.db2.gz MINUEIKUKQAEAQ-WBADGQHESA-N 2 1 349.522 3.857 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)[nH+]1 ZINC000343471929 1031036090 /nfs/dbraw/zinc/03/60/90/1031036090.db2.gz PQRXEYJSUWWXGX-NLWGTHIKSA-N 2 1 343.515 3.544 20 0 EHADMP C[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)CC1CC[NH+](C)CC1 ZINC000483260986 1031074963 /nfs/dbraw/zinc/07/49/63/1031074963.db2.gz KIQXETLTZZGLSM-UHFFFAOYSA-N 2 1 334.410 3.998 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173385999 1031086236 /nfs/dbraw/zinc/08/62/36/1031086236.db2.gz JOOXEVDTAJILSS-OLZOCXBDSA-N 2 1 336.277 3.941 20 0 EHADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551314339 1031218552 /nfs/dbraw/zinc/21/85/52/1031218552.db2.gz YMRQBBYBBXBIIM-GUSVMJMASA-N 2 1 332.532 3.816 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570826 1031437303 /nfs/dbraw/zinc/43/73/03/1031437303.db2.gz PMMHXLUZPUNBOR-PKOBYXMFSA-N 2 1 344.499 3.523 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CCCO1 ZINC000278570826 1031437310 /nfs/dbraw/zinc/43/73/10/1031437310.db2.gz PMMHXLUZPUNBOR-PKOBYXMFSA-N 2 1 344.499 3.523 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000343583687 1031486349 /nfs/dbraw/zinc/48/63/49/1031486349.db2.gz TWXQMKDUDJESFL-UHFFFAOYSA-N 2 1 345.531 3.604 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000484309326 1031527438 /nfs/dbraw/zinc/52/74/38/1031527438.db2.gz OMJRWLUIIDNYJH-CTNGQTDRSA-N 2 1 344.543 3.820 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC[NH+]1C1CCCC1 ZINC000528006931 1031573630 /nfs/dbraw/zinc/57/36/30/1031573630.db2.gz AJYQRKCHKSSWCE-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006931 1031573656 /nfs/dbraw/zinc/57/36/56/1031573656.db2.gz AJYQRKCHKSSWCE-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528006931 1031573666 /nfs/dbraw/zinc/57/36/66/1031573666.db2.gz AJYQRKCHKSSWCE-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528006931 1031573676 /nfs/dbraw/zinc/57/36/76/1031573676.db2.gz AJYQRKCHKSSWCE-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528012856 1031594743 /nfs/dbraw/zinc/59/47/43/1031594743.db2.gz QOJSTSWEHLKSPI-HRAATJIYSA-N 2 1 338.499 3.848 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SCC)C2)[C@@H](C)C1 ZINC000484473251 1031620782 /nfs/dbraw/zinc/62/07/82/1031620782.db2.gz JKJORZPJEDGRTO-MANSERQUSA-N 2 1 342.593 3.777 20 0 EHADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000194895479 1031644399 /nfs/dbraw/zinc/64/43/99/1031644399.db2.gz WMLTUTHJRSWEBG-CVEARBPZSA-N 2 1 334.529 3.560 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000584081089 1031673332 /nfs/dbraw/zinc/67/33/32/1031673332.db2.gz HSNDLRNOPSYCPM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(Br)c1 ZINC000584081089 1031673335 /nfs/dbraw/zinc/67/33/35/1031673335.db2.gz HSNDLRNOPSYCPM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000584081089 1031673337 /nfs/dbraw/zinc/67/33/37/1031673337.db2.gz HSNDLRNOPSYCPM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000584081089 1031673338 /nfs/dbraw/zinc/67/33/38/1031673338.db2.gz HSNDLRNOPSYCPM-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000180701865 1031900921 /nfs/dbraw/zinc/90/09/21/1031900921.db2.gz BQJGMWDVXAIJRC-HUUCEWRRSA-N 2 1 343.471 3.952 20 0 EHADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000278670523 1031910557 /nfs/dbraw/zinc/91/05/57/1031910557.db2.gz JDLDQJOURHDBRJ-HNNXBMFYSA-N 2 1 344.455 3.757 20 0 EHADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000278670523 1031910564 /nfs/dbraw/zinc/91/05/64/1031910564.db2.gz JDLDQJOURHDBRJ-HNNXBMFYSA-N 2 1 344.455 3.757 20 0 EHADMP C[C@]1(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326158 1031949650 /nfs/dbraw/zinc/94/96/50/1031949650.db2.gz FCNMRNYKXIQTPK-WFASDCNBSA-N 2 1 347.450 3.731 20 0 EHADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326158 1031949664 /nfs/dbraw/zinc/94/96/64/1031949664.db2.gz FCNMRNYKXIQTPK-WFASDCNBSA-N 2 1 347.450 3.731 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000181927447 1032045346 /nfs/dbraw/zinc/04/53/46/1032045346.db2.gz XVEPRVMNOVDWMA-INIZCTEOSA-N 2 1 331.504 3.950 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[NH+](C)C)CCC3)cc1 ZINC000151937333 1033315031 /nfs/dbraw/zinc/31/50/31/1033315031.db2.gz USPGFRZIHQUGAF-MRXNPFEDSA-N 2 1 345.512 3.737 20 0 EHADMP C[C@H](CSCCF)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000595018360 1033610978 /nfs/dbraw/zinc/61/09/78/1033610978.db2.gz MWTFLENPMMJPJU-NTDBWNAOSA-N 2 1 338.536 3.824 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669684344 1033675176 /nfs/dbraw/zinc/67/51/76/1033675176.db2.gz HTBPVTWQKIUWDU-GFOJFJKKSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550612376 1033728409 /nfs/dbraw/zinc/72/84/09/1033728409.db2.gz NZKNMLUMRCIRGU-NHCUHLMSSA-N 2 1 329.532 3.532 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC1 ZINC000132300127 1033760878 /nfs/dbraw/zinc/76/08/78/1033760878.db2.gz ZXDDPVWCBXIDIS-UHFFFAOYSA-N 2 1 331.504 3.757 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639631 1033802690 /nfs/dbraw/zinc/80/26/90/1033802690.db2.gz MMDLQEZMINRLEN-GDBMZVCRSA-N 2 1 326.431 3.759 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639631 1033802703 /nfs/dbraw/zinc/80/27/03/1033802703.db2.gz MMDLQEZMINRLEN-GDBMZVCRSA-N 2 1 326.431 3.759 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639631 1033802720 /nfs/dbraw/zinc/80/27/20/1033802720.db2.gz MMDLQEZMINRLEN-GDBMZVCRSA-N 2 1 326.431 3.759 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639631 1033802731 /nfs/dbraw/zinc/80/27/31/1033802731.db2.gz MMDLQEZMINRLEN-GDBMZVCRSA-N 2 1 326.431 3.759 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550644079 1033809117 /nfs/dbraw/zinc/80/91/17/1033809117.db2.gz MCILQXHFETVNPH-NHCUHLMSSA-N 3 1 329.532 3.534 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550644079 1033809129 /nfs/dbraw/zinc/80/91/29/1033809129.db2.gz MCILQXHFETVNPH-NHCUHLMSSA-N 3 1 329.532 3.534 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000550708321 1033897739 /nfs/dbraw/zinc/89/77/39/1033897739.db2.gz HZOKCFTWDUAZDV-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[N@H+](C)CC1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000550708321 1033897742 /nfs/dbraw/zinc/89/77/42/1033897742.db2.gz HZOKCFTWDUAZDV-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[N@@H+](C)CC1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000550708321 1033897750 /nfs/dbraw/zinc/89/77/50/1033897750.db2.gz HZOKCFTWDUAZDV-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[NH+](C)CC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550708321 1033897759 /nfs/dbraw/zinc/89/77/59/1033897759.db2.gz HZOKCFTWDUAZDV-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP CCCC[NH+](C)CC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000550708321 1033897765 /nfs/dbraw/zinc/89/77/65/1033897765.db2.gz HZOKCFTWDUAZDV-QFIPXVFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143653 1033988964 /nfs/dbraw/zinc/98/89/64/1033988964.db2.gz ZQSKHIKFHLMDAS-SPEDKVCISA-N 2 1 338.495 3.535 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000120637542 1034009254 /nfs/dbraw/zinc/00/92/54/1034009254.db2.gz DBXQQQJVPCPLBF-UYAOXDASSA-N 2 1 338.499 3.712 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000120637542 1034009260 /nfs/dbraw/zinc/00/92/60/1034009260.db2.gz DBXQQQJVPCPLBF-UYAOXDASSA-N 2 1 338.499 3.712 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227171 1034086752 /nfs/dbraw/zinc/08/67/52/1034086752.db2.gz SZEOPQCLOUSJOL-SJLPKXTDSA-N 2 1 346.515 3.631 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227171 1034086758 /nfs/dbraw/zinc/08/67/58/1034086758.db2.gz SZEOPQCLOUSJOL-SJLPKXTDSA-N 2 1 346.515 3.631 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000658214228 1034097963 /nfs/dbraw/zinc/09/79/63/1034097963.db2.gz XMDXLSBTUYTKDK-CQSZACIVSA-N 2 1 335.455 3.642 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450325823 1034140273 /nfs/dbraw/zinc/14/02/73/1034140273.db2.gz VQHZYAVMTLSULG-RZUBCFFCSA-N 2 1 344.543 3.595 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421798919 1034215569 /nfs/dbraw/zinc/21/55/69/1034215569.db2.gz CMVQYIZTOZSNLA-FQEVSTJZSA-N 2 1 335.495 3.583 20 0 EHADMP CC(C)c1nc(CNC[C@H]2CC[N@H+]2C2CCCC2)c2ccccn21 ZINC000529670029 1034396181 /nfs/dbraw/zinc/39/61/81/1034396181.db2.gz PRSPJQQTVQOEEJ-QGZVFWFLSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@H+]2C2CCCC2)c2ccccn21 ZINC000529670029 1034396202 /nfs/dbraw/zinc/39/62/02/1034396202.db2.gz PRSPJQQTVQOEEJ-QGZVFWFLSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340225076 1034475467 /nfs/dbraw/zinc/47/54/67/1034475467.db2.gz FQMOOZKSIMRLAZ-ROUUACIJSA-N 2 1 342.487 3.551 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340225076 1034475483 /nfs/dbraw/zinc/47/54/83/1034475483.db2.gz FQMOOZKSIMRLAZ-ROUUACIJSA-N 2 1 342.487 3.551 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000340254851 1034481568 /nfs/dbraw/zinc/48/15/68/1034481568.db2.gz DCHOACFEUPEOOS-ZGXWSNOMSA-N 2 1 328.500 3.759 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000340254851 1034481570 /nfs/dbraw/zinc/48/15/70/1034481570.db2.gz DCHOACFEUPEOOS-ZGXWSNOMSA-N 2 1 328.500 3.759 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450879786 1034907851 /nfs/dbraw/zinc/90/78/51/1034907851.db2.gz OPJDUBVHWWRFFX-HXUWFJFHSA-N 2 1 344.547 3.662 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450879786 1034907858 /nfs/dbraw/zinc/90/78/58/1034907858.db2.gz OPJDUBVHWWRFFX-HXUWFJFHSA-N 2 1 344.547 3.662 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063302 1035425335 /nfs/dbraw/zinc/42/53/35/1035425335.db2.gz MFNIZRGTRIMGBA-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063302 1035425337 /nfs/dbraw/zinc/42/53/37/1035425337.db2.gz MFNIZRGTRIMGBA-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1csc(-c2ccccc2)n1 ZINC000414069446 1035439026 /nfs/dbraw/zinc/43/90/26/1035439026.db2.gz RQEFYIMBBJTVMF-HUUCEWRRSA-N 2 1 327.497 3.945 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](CNC3(c4ccccc4)CC3)C2)cc1 ZINC000571540908 1035550793 /nfs/dbraw/zinc/55/07/93/1035550793.db2.gz VXXJUYAKZFCPQP-OAQYLSRUSA-N 2 1 336.479 3.556 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](CNC3(c4ccccc4)CC3)C2)cc1 ZINC000571540908 1035550806 /nfs/dbraw/zinc/55/08/06/1035550806.db2.gz VXXJUYAKZFCPQP-OAQYLSRUSA-N 2 1 336.479 3.556 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000282278421 1035594439 /nfs/dbraw/zinc/59/44/39/1035594439.db2.gz RONUYJNMFLYJBQ-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000282278421 1035594453 /nfs/dbraw/zinc/59/44/53/1035594453.db2.gz RONUYJNMFLYJBQ-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCSCC1 ZINC000187058814 1035747502 /nfs/dbraw/zinc/74/75/02/1035747502.db2.gz LGNZPBYRZVCGSZ-SJORKVTESA-N 2 1 348.556 3.529 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCSCC1 ZINC000187058814 1035747513 /nfs/dbraw/zinc/74/75/13/1035747513.db2.gz LGNZPBYRZVCGSZ-SJORKVTESA-N 2 1 348.556 3.529 20 0 EHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C\c2ccccc2)[C@H](c2ccccc2)C1 ZINC000588177540 1035800282 /nfs/dbraw/zinc/80/02/82/1035800282.db2.gz ANJYWMZVERTFDW-VVGVPELMSA-N 2 1 349.522 3.668 20 0 EHADMP CO[C@@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000376285447 1035846072 /nfs/dbraw/zinc/84/60/72/1035846072.db2.gz MQWKYHCVPCEKPM-WOJBJXKFSA-N 2 1 340.552 3.549 20 0 EHADMP CCCCn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)n1 ZINC000540984491 1035877795 /nfs/dbraw/zinc/87/77/95/1035877795.db2.gz BWMWRISWPJFBJA-UHFFFAOYSA-N 2 1 332.536 3.878 20 0 EHADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000414178552 1035899192 /nfs/dbraw/zinc/89/91/92/1035899192.db2.gz KMKTVLYNSKQQOT-WMLDXEAASA-N 2 1 344.421 3.714 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687506 1035973915 /nfs/dbraw/zinc/97/39/15/1035973915.db2.gz LCPPXJIEHNKGER-NQIIRXRSSA-N 2 1 348.490 3.983 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687506 1035973920 /nfs/dbraw/zinc/97/39/20/1035973920.db2.gz LCPPXJIEHNKGER-NQIIRXRSSA-N 2 1 348.490 3.983 20 0 EHADMP Cc1cc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191891 1035976255 /nfs/dbraw/zinc/97/62/55/1035976255.db2.gz SCPJCJNDOPTBGW-LAUBAEHRSA-N 2 1 341.474 3.940 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001140817162 1036372121 /nfs/dbraw/zinc/37/21/21/1036372121.db2.gz NQVAKJDCSLNIBB-UHFFFAOYSA-N 2 1 337.305 3.675 20 0 EHADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)c1cccc(O)c1 ZINC000542463973 1036402310 /nfs/dbraw/zinc/40/23/10/1036402310.db2.gz IUKZXSBYNVJDIW-MRXNPFEDSA-N 2 1 336.439 3.864 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000892605582 1036561362 /nfs/dbraw/zinc/56/13/62/1036561362.db2.gz BENJPHSUQLDYIR-UHFFFAOYSA-N 2 1 327.447 3.592 20 0 EHADMP COc1ccccc1SC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192976397 1036568519 /nfs/dbraw/zinc/56/85/19/1036568519.db2.gz KCCXVTJNPZZUTQ-XYTVBORESA-N 2 1 334.529 3.638 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344631 1036802869 /nfs/dbraw/zinc/80/28/69/1036802869.db2.gz ZNFXEIWJRDFUHO-NQIIRXRSSA-N 2 1 337.511 3.859 20 0 EHADMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000177291232 1036806092 /nfs/dbraw/zinc/80/60/92/1036806092.db2.gz HHHHJZXDHJGHRA-UYAOXDASSA-N 2 1 338.495 3.910 20 0 EHADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)c1 ZINC000462363710 1036887050 /nfs/dbraw/zinc/88/70/50/1036887050.db2.gz ZWPCBIIDYAHFDH-JOCHJYFZSA-N 2 1 338.495 3.517 20 0 EHADMP C[NH+]1CCC([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000177605555 1036890113 /nfs/dbraw/zinc/89/01/13/1036890113.db2.gz SXGGQUAYIBAQAS-UHFFFAOYSA-N 2 1 337.678 3.709 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000539545474 1036897198 /nfs/dbraw/zinc/89/71/98/1036897198.db2.gz MMBGOKVUGYDDFF-UXHICEINSA-N 2 1 332.532 3.938 20 0 EHADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000462397597 1036924919 /nfs/dbraw/zinc/92/49/19/1036924919.db2.gz VTALWGYDZDNVIO-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000462397597 1036924932 /nfs/dbraw/zinc/92/49/32/1036924932.db2.gz VTALWGYDZDNVIO-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc([S@](C)=O)cc3)CC2)C1 ZINC000090221547 1036952290 /nfs/dbraw/zinc/95/22/90/1036952290.db2.gz GLPHUHCXUXFYGV-LNZPYGSCSA-N 2 1 348.556 3.557 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2s1 ZINC000647542788 1037067630 /nfs/dbraw/zinc/06/76/30/1037067630.db2.gz BTCAJYVWANZQOL-SJORKVTESA-N 2 1 329.513 3.816 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543458 1037090068 /nfs/dbraw/zinc/09/00/68/1037090068.db2.gz NVBQHQGWAFKURM-QZTJIDSGSA-N 2 1 345.506 3.638 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000532442335 1037292026 /nfs/dbraw/zinc/29/20/26/1037292026.db2.gz PBWNBXWDFVGSFS-HKUYNNGSSA-N 2 1 343.540 3.696 20 0 EHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000532450016 1037319823 /nfs/dbraw/zinc/31/98/23/1037319823.db2.gz BRMAYXVXGRZLEI-UGKGYDQZSA-N 2 1 337.511 3.716 20 0 EHADMP CCCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000462746798 1037360452 /nfs/dbraw/zinc/36/04/52/1037360452.db2.gz VYTZERPHWIVVLY-JOCHJYFZSA-N 2 1 343.559 3.895 20 0 EHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000462774278 1037375122 /nfs/dbraw/zinc/37/51/22/1037375122.db2.gz NMGSIHQBFGPMPO-UHFFFAOYSA-N 2 1 348.531 3.702 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462778842 1037381978 /nfs/dbraw/zinc/38/19/78/1037381978.db2.gz KPYVRMQFBBDBHS-NRFANRHFSA-N 2 1 330.516 3.671 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000171049855 1037430521 /nfs/dbraw/zinc/43/05/21/1037430521.db2.gz WCWJMIFBKJQYDT-UHFFFAOYSA-N 2 1 348.490 3.759 20 0 EHADMP CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc(C)[nH+]1 ZINC000302040727 1037453570 /nfs/dbraw/zinc/45/35/70/1037453570.db2.gz HVAVFWUDDAAPPD-IHWFROFDSA-N 2 1 336.483 3.955 20 0 EHADMP CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc(C)[nH+]1 ZINC000302040727 1037453584 /nfs/dbraw/zinc/45/35/84/1037453584.db2.gz HVAVFWUDDAAPPD-IHWFROFDSA-N 2 1 336.483 3.955 20 0 EHADMP CN(Cc1cccc2c1NCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261575114 1037495136 /nfs/dbraw/zinc/49/51/36/1037495136.db2.gz MZWXIQQOUBBZHC-UHFFFAOYSA-N 2 1 335.495 3.751 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082404 1037726308 /nfs/dbraw/zinc/72/63/08/1037726308.db2.gz NGTGRRDGJPABBZ-XLIONFOSSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082404 1037726326 /nfs/dbraw/zinc/72/63/26/1037726326.db2.gz NGTGRRDGJPABBZ-XLIONFOSSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1C[C@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463069044 1037732089 /nfs/dbraw/zinc/73/20/89/1037732089.db2.gz UTYBJQDSZOIELJ-PZJWPPBQSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]1C[C@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069044 1037732110 /nfs/dbraw/zinc/73/21/10/1037732110.db2.gz UTYBJQDSZOIELJ-PZJWPPBQSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]1C[C@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069044 1037732129 /nfs/dbraw/zinc/73/21/29/1037732129.db2.gz UTYBJQDSZOIELJ-PZJWPPBQSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[N@H+](CC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@H](C)O1 ZINC000540297012 1037775693 /nfs/dbraw/zinc/77/56/93/1037775693.db2.gz ILSZVKJCSBSOGX-CALCHBBNSA-N 2 1 339.483 3.560 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463122999 1037776132 /nfs/dbraw/zinc/77/61/32/1037776132.db2.gz MTWXEVYDVZCSSK-QFIPXVFZSA-N 2 1 343.559 3.548 20 0 EHADMP Cc1cccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463118221 1037785431 /nfs/dbraw/zinc/78/54/31/1037785431.db2.gz WXWUIMWZSHSMDD-UHFFFAOYSA-N 2 1 340.486 3.973 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137756 1037799370 /nfs/dbraw/zinc/79/93/70/1037799370.db2.gz MZTLAOFISKBMSO-CTNGQTDRSA-N 2 1 337.511 3.766 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463137756 1037799388 /nfs/dbraw/zinc/79/93/88/1037799388.db2.gz MZTLAOFISKBMSO-CTNGQTDRSA-N 2 1 337.511 3.766 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506468126 1037920807 /nfs/dbraw/zinc/92/08/07/1037920807.db2.gz CGHGCMWCESAWOE-MJGOQNOKSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506468126 1037920816 /nfs/dbraw/zinc/92/08/16/1037920816.db2.gz CGHGCMWCESAWOE-MJGOQNOKSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506468126 1037920824 /nfs/dbraw/zinc/92/08/24/1037920824.db2.gz CGHGCMWCESAWOE-MJGOQNOKSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506468126 1037920828 /nfs/dbraw/zinc/92/08/28/1037920828.db2.gz CGHGCMWCESAWOE-MJGOQNOKSA-N 2 1 344.499 3.560 20 0 EHADMP Cc1cncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183156012 1037934048 /nfs/dbraw/zinc/93/40/48/1037934048.db2.gz GKXIOCBTDYUAQS-FDFHNCONSA-N 2 1 335.495 3.780 20 0 EHADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463252710 1037955897 /nfs/dbraw/zinc/95/58/97/1037955897.db2.gz SRFODNHKVXLAFW-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168253395 1038205957 /nfs/dbraw/zinc/20/59/57/1038205957.db2.gz YZUMMZWHFGLBIW-GUDVDZBRSA-N 2 1 330.516 3.780 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000125452044 1038330793 /nfs/dbraw/zinc/33/07/93/1038330793.db2.gz XKJFFVVBDUZXME-GOSISDBHSA-N 2 1 341.455 3.580 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000125452044 1038330805 /nfs/dbraw/zinc/33/08/05/1038330805.db2.gz XKJFFVVBDUZXME-GOSISDBHSA-N 2 1 341.455 3.580 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)c(O)c2)CC1)CC1CC1 ZINC000538857489 1038568083 /nfs/dbraw/zinc/56/80/83/1038568083.db2.gz APPDDCZLRIMNCQ-UHFFFAOYSA-N 2 1 346.515 3.735 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659976911 1038578731 /nfs/dbraw/zinc/57/87/31/1038578731.db2.gz HGWKGDDCZDDRAF-INIZCTEOSA-N 2 1 329.513 3.503 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2nsc3ccccc32)C1 ZINC000659976911 1038578738 /nfs/dbraw/zinc/57/87/38/1038578738.db2.gz HGWKGDDCZDDRAF-INIZCTEOSA-N 2 1 329.513 3.503 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000659976911 1038578748 /nfs/dbraw/zinc/57/87/48/1038578748.db2.gz HGWKGDDCZDDRAF-INIZCTEOSA-N 2 1 329.513 3.503 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000659976911 1038578755 /nfs/dbraw/zinc/57/87/55/1038578755.db2.gz HGWKGDDCZDDRAF-INIZCTEOSA-N 2 1 329.513 3.503 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C)(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000893225007 1038580333 /nfs/dbraw/zinc/58/03/33/1038580333.db2.gz HPSBZTWVPPVYKV-GJHJYOIJSA-N 2 1 330.516 3.570 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](c3cccnc3)C3CC3)CC2)cc1 ZINC000539051624 1038655322 /nfs/dbraw/zinc/65/53/22/1038655322.db2.gz ADWGIUGPCRFDPJ-QFIPXVFZSA-N 2 1 335.495 3.829 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000552047263 1038914117 /nfs/dbraw/zinc/91/41/17/1038914117.db2.gz GBMYULWLFDCRQY-MISYRCLQSA-N 2 1 342.527 3.969 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000429817883 1039020456 /nfs/dbraw/zinc/02/04/56/1039020456.db2.gz OLYAYVFPYHZALW-FXAWDEMLSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000429817883 1039020477 /nfs/dbraw/zinc/02/04/77/1039020477.db2.gz OLYAYVFPYHZALW-FXAWDEMLSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000429817883 1039020494 /nfs/dbraw/zinc/02/04/94/1039020494.db2.gz OLYAYVFPYHZALW-FXAWDEMLSA-N 2 1 326.484 3.881 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000552253708 1039132505 /nfs/dbraw/zinc/13/25/05/1039132505.db2.gz QMEDCSLBTQELQQ-QRVBRYPASA-N 2 1 346.515 3.837 20 0 EHADMP CC(C)(C)OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485475379 1039138101 /nfs/dbraw/zinc/13/81/01/1039138101.db2.gz BPXSHQDVZSHGMT-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)[C@H](C)C1 ZINC000488454039 1039184374 /nfs/dbraw/zinc/18/43/74/1039184374.db2.gz XYKNDYLIKJJZNP-VSZNYVQBSA-N 2 1 342.593 3.633 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCCC[NH2+]3)nc2)cc1 ZINC000906159633 1039329804 /nfs/dbraw/zinc/32/98/04/1039329804.db2.gz UNKCGHTVYGKAEN-OXQOHEQNSA-N 2 1 336.483 3.943 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485703109 1039451611 /nfs/dbraw/zinc/45/16/11/1039451611.db2.gz FJZRBTKXCGBUGH-KBXCAEBGSA-N 2 1 342.886 3.706 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485703109 1039451615 /nfs/dbraw/zinc/45/16/15/1039451615.db2.gz FJZRBTKXCGBUGH-KBXCAEBGSA-N 2 1 342.886 3.706 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCC4CCOCC4)CC[C@@H]32)cc1 ZINC000432830626 1039478688 /nfs/dbraw/zinc/47/86/88/1039478688.db2.gz ROIQIDLLFULENM-YADHBBJMSA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCC4CCOCC4)CC[C@@H]32)cc1 ZINC000432830626 1039478696 /nfs/dbraw/zinc/47/86/96/1039478696.db2.gz ROIQIDLLFULENM-YADHBBJMSA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000709891916 1039646593 /nfs/dbraw/zinc/64/65/93/1039646593.db2.gz LKNNHSWQSZXOKG-JOCHJYFZSA-N 2 1 336.479 3.841 20 0 EHADMP c1ccc(COc2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000709891916 1039646601 /nfs/dbraw/zinc/64/66/01/1039646601.db2.gz LKNNHSWQSZXOKG-JOCHJYFZSA-N 2 1 336.479 3.841 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614681 1039758080 /nfs/dbraw/zinc/75/80/80/1039758080.db2.gz NVFYWCZGAULEGU-RRQGHBQHSA-N 2 1 342.405 3.905 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614681 1039758101 /nfs/dbraw/zinc/75/81/01/1039758101.db2.gz NVFYWCZGAULEGU-RRQGHBQHSA-N 2 1 342.405 3.905 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480663431 1039878630 /nfs/dbraw/zinc/87/86/30/1039878630.db2.gz LKLZYTZSZBBJER-IRXDYDNUSA-N 2 1 328.504 3.738 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000641798246 1039965420 /nfs/dbraw/zinc/96/54/20/1039965420.db2.gz CTSVFMWAPCFTTG-HNNXBMFYSA-N 2 1 325.456 3.614 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489634414 1040112737 /nfs/dbraw/zinc/11/27/37/1040112737.db2.gz UALOBAUZSQRTJU-FQEVSTJZSA-N 2 1 328.500 3.853 20 0 EHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000479442008 1040238445 /nfs/dbraw/zinc/23/84/45/1040238445.db2.gz CFEKRPUJOGVIHJ-NYVOZVTQSA-N 2 1 342.527 3.725 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030750 1040275030 /nfs/dbraw/zinc/27/50/30/1040275030.db2.gz BITAPKYYRNMTMK-WMZOPIPTSA-N 2 1 348.556 3.829 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000481020534 1040278953 /nfs/dbraw/zinc/27/89/53/1040278953.db2.gz HPGRMZJHEFCDJF-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000481020534 1040278971 /nfs/dbraw/zinc/27/89/71/1040278971.db2.gz HPGRMZJHEFCDJF-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000490010166 1040304540 /nfs/dbraw/zinc/30/45/40/1040304540.db2.gz AEZHSNCWWHEQJY-IBGZPJMESA-N 2 1 327.497 3.694 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000490010166 1040304545 /nfs/dbraw/zinc/30/45/45/1040304545.db2.gz AEZHSNCWWHEQJY-IBGZPJMESA-N 2 1 327.497 3.694 20 0 EHADMP CC[C@@H](C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1)[NH+]1CCCC1 ZINC000490173892 1040382469 /nfs/dbraw/zinc/38/24/69/1040382469.db2.gz YRMAIYMXEBAQOU-IRXDYDNUSA-N 2 1 325.500 3.798 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CC4)[C@H]3C2)cc1 ZINC000512648475 1040388412 /nfs/dbraw/zinc/38/84/12/1040388412.db2.gz NIUFBQVEQHBOCU-FKBYEOEOSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512654647 1040416134 /nfs/dbraw/zinc/41/61/34/1040416134.db2.gz NSIIJZFRCSDUSA-FDFHNCONSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654647 1040416142 /nfs/dbraw/zinc/41/61/42/1040416142.db2.gz NSIIJZFRCSDUSA-FDFHNCONSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654647 1040416150 /nfs/dbraw/zinc/41/61/50/1040416150.db2.gz NSIIJZFRCSDUSA-FDFHNCONSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512654647 1040416158 /nfs/dbraw/zinc/41/61/58/1040416158.db2.gz NSIIJZFRCSDUSA-FDFHNCONSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512654647 1040416166 /nfs/dbraw/zinc/41/61/66/1040416166.db2.gz NSIIJZFRCSDUSA-FDFHNCONSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654647 1040416173 /nfs/dbraw/zinc/41/61/73/1040416173.db2.gz NSIIJZFRCSDUSA-FDFHNCONSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654647 1040416181 /nfs/dbraw/zinc/41/61/81/1040416181.db2.gz NSIIJZFRCSDUSA-FDFHNCONSA-N 3 1 343.559 3.607 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152153937 1040442762 /nfs/dbraw/zinc/44/27/62/1040442762.db2.gz CRTNVNPZBZVXRO-LPHOPBHVSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152153937 1040442767 /nfs/dbraw/zinc/44/27/67/1040442767.db2.gz CRTNVNPZBZVXRO-LPHOPBHVSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000500115356 1040536865 /nfs/dbraw/zinc/53/68/65/1040536865.db2.gz LHJISLOJYZROFL-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)cc1C ZINC000500132541 1040574776 /nfs/dbraw/zinc/57/47/76/1040574776.db2.gz MKZONWHFZHEUIB-UHFFFAOYSA-N 2 1 343.559 3.684 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000500249588 1040801133 /nfs/dbraw/zinc/80/11/33/1040801133.db2.gz LPYGMFBBLCVRFN-ZFMNYDKASA-N 2 1 341.543 3.502 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000390528449 1040865636 /nfs/dbraw/zinc/86/56/36/1040865636.db2.gz KLIMXMLQWCMCJS-GXRSIYKFSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000390528449 1040865644 /nfs/dbraw/zinc/86/56/44/1040865644.db2.gz KLIMXMLQWCMCJS-GXRSIYKFSA-N 2 1 341.543 3.551 20 0 EHADMP Cc1noc(C)c1[C@H](C)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924874101 1040882760 /nfs/dbraw/zinc/88/27/60/1040882760.db2.gz OFYPHHIGHKOTPP-BBRMVZONSA-N 2 1 333.501 3.916 20 0 EHADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000924874101 1040882770 /nfs/dbraw/zinc/88/27/70/1040882770.db2.gz OFYPHHIGHKOTPP-BBRMVZONSA-N 2 1 333.501 3.916 20 0 EHADMP Fc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058853 1040896721 /nfs/dbraw/zinc/89/67/21/1040896721.db2.gz HVUUXYWXEHFJRZ-SFHVURJKSA-N 2 1 334.479 3.793 20 0 EHADMP Fc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058853 1040896731 /nfs/dbraw/zinc/89/67/31/1040896731.db2.gz HVUUXYWXEHFJRZ-SFHVURJKSA-N 2 1 334.479 3.793 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491059845 1040897142 /nfs/dbraw/zinc/89/71/42/1040897142.db2.gz JQBHLQGBXMJQSD-IBGZPJMESA-N 2 1 344.499 3.561 20 0 EHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491059845 1040897150 /nfs/dbraw/zinc/89/71/50/1040897150.db2.gz JQBHLQGBXMJQSD-IBGZPJMESA-N 2 1 344.499 3.561 20 0 EHADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555615824 1040923658 /nfs/dbraw/zinc/92/36/58/1040923658.db2.gz CXDUPRSUWNKBBV-PZJWPPBQSA-N 2 1 344.543 3.939 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)c1 ZINC000924875749 1041003937 /nfs/dbraw/zinc/00/39/37/1041003937.db2.gz XKRWACNWUYMPOA-MGNMYUMUSA-N 2 1 336.570 3.976 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)c1 ZINC000924875749 1041003949 /nfs/dbraw/zinc/00/39/49/1041003949.db2.gz XKRWACNWUYMPOA-MGNMYUMUSA-N 2 1 336.570 3.976 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000481570149 1041091607 /nfs/dbraw/zinc/09/16/07/1041091607.db2.gz DRIJAFWTNKTTFB-AEFFLSMTSA-N 2 1 344.499 3.547 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nn(C)c2ccccc12 ZINC000398147869 1041093013 /nfs/dbraw/zinc/09/30/13/1041093013.db2.gz ONSBHULYXWJWEB-XLIONFOSSA-N 2 1 348.494 3.574 20 0 EHADMP COCCCC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000894134038 1041113987 /nfs/dbraw/zinc/11/39/87/1041113987.db2.gz HOKGINHRSJZLHD-HXUWFJFHSA-N 2 1 330.516 3.695 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000570944517 1041122312 /nfs/dbraw/zinc/12/23/12/1041122312.db2.gz QGNKCSWAYHQSAL-NQIIRXRSSA-N 2 1 342.527 3.967 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3Br)C2)CC1 ZINC000555803567 1041170332 /nfs/dbraw/zinc/17/03/32/1041170332.db2.gz ZOEAZEGPVCAXRF-OAHLLOKOSA-N 2 1 337.305 3.613 20 0 EHADMP FC(F)(F)Oc1ccc2c(N[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000899874718 1041261241 /nfs/dbraw/zinc/26/12/41/1041261241.db2.gz JTHLVHMYCAFYHE-NSHDSACASA-N 2 1 337.345 3.782 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731683 1041306589 /nfs/dbraw/zinc/30/65/89/1041306589.db2.gz WCBMQXCHEMLMCZ-KKSFZXQISA-N 2 1 336.479 3.718 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000388523144 1041387554 /nfs/dbraw/zinc/38/75/54/1041387554.db2.gz ANMXAUBTFWFUJH-FRRDWIJNSA-N 2 1 329.307 3.521 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4cnccc4o3)C2)CC1 ZINC000651625859 1041806151 /nfs/dbraw/zinc/80/61/51/1041806151.db2.gz VDWXIQGLDQOPIH-KRWDZBQOSA-N 2 1 327.472 3.772 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4cnccc4o3)C2)CC1 ZINC000651625859 1041806153 /nfs/dbraw/zinc/80/61/53/1041806153.db2.gz VDWXIQGLDQOPIH-KRWDZBQOSA-N 2 1 327.472 3.772 20 0 EHADMP COc1ccc(CN[C@@H](Cc2nccn2C)c2ccccc2)c(F)c1 ZINC000651724340 1041966545 /nfs/dbraw/zinc/96/65/45/1041966545.db2.gz RQBQGNMURKZTAQ-IBGZPJMESA-N 2 1 339.414 3.641 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661198550 1042002179 /nfs/dbraw/zinc/00/21/79/1042002179.db2.gz LFTGNXDDGHETJQ-IBGZPJMESA-N 2 1 327.472 3.651 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661198550 1042002189 /nfs/dbraw/zinc/00/21/89/1042002189.db2.gz LFTGNXDDGHETJQ-IBGZPJMESA-N 2 1 327.472 3.651 20 0 EHADMP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc4cnccc4o3)C2)n2c1CCCC2 ZINC000651794640 1042039442 /nfs/dbraw/zinc/03/94/42/1042039442.db2.gz OYWODLXVQFORGU-HNNXBMFYSA-N 2 1 336.439 3.740 20 0 EHADMP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc4cnccc4o3)C2)n2c1CCCC2 ZINC000651794640 1042039445 /nfs/dbraw/zinc/03/94/45/1042039445.db2.gz OYWODLXVQFORGU-HNNXBMFYSA-N 2 1 336.439 3.740 20 0 EHADMP C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651929791 1042202908 /nfs/dbraw/zinc/20/29/08/1042202908.db2.gz YPHKUQNBWRHMMW-MTNREXPMSA-N 2 1 342.527 3.692 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000245805983 1042503177 /nfs/dbraw/zinc/50/31/77/1042503177.db2.gz YPQIQZIBQZOEMK-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000245805983 1042503181 /nfs/dbraw/zinc/50/31/81/1042503181.db2.gz YPQIQZIBQZOEMK-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000245805983 1042503186 /nfs/dbraw/zinc/50/31/86/1042503186.db2.gz YPQIQZIBQZOEMK-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1csc(Br)c1 ZINC000050953589 1042538302 /nfs/dbraw/zinc/53/83/02/1042538302.db2.gz RYRBDHQOGJTWAM-UHFFFAOYSA-N 2 1 331.323 3.722 20 0 EHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278860998 1042625264 /nfs/dbraw/zinc/62/52/64/1042625264.db2.gz AXWZGPWFQJCNJF-UONOGXRCSA-N 2 1 333.863 3.848 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000662278018 1042654952 /nfs/dbraw/zinc/65/49/52/1042654952.db2.gz ZFSMGWSNYFIZFH-CZUORRHYSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000662278018 1042654955 /nfs/dbraw/zinc/65/49/55/1042654955.db2.gz ZFSMGWSNYFIZFH-CZUORRHYSA-N 2 1 326.456 3.521 20 0 EHADMP c1cc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cs2)co1 ZINC000662295004 1042664040 /nfs/dbraw/zinc/66/40/40/1042664040.db2.gz XZQKWVWUXXAYBG-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000662294695 1042664226 /nfs/dbraw/zinc/66/42/26/1042664226.db2.gz RZWDJWLQUZFFJF-INIZCTEOSA-N 2 1 343.446 3.692 20 0 EHADMP c1csc(-c2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)no2)c1 ZINC000662296840 1042666592 /nfs/dbraw/zinc/66/65/92/1042666592.db2.gz NWZANDJFULDDMI-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662317599 1042682769 /nfs/dbraw/zinc/68/27/69/1042682769.db2.gz SMVUNNKSWHSWLD-IIAWOOMASA-N 2 1 325.522 3.580 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CCO1 ZINC000662319684 1042683647 /nfs/dbraw/zinc/68/36/47/1042683647.db2.gz AHEQMPKYZIPUBA-KRWDZBQOSA-N 2 1 336.479 3.799 20 0 EHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccs1 ZINC000162261481 1042715067 /nfs/dbraw/zinc/71/50/67/1042715067.db2.gz DRPLMJGJYZIJSH-MRXNPFEDSA-N 2 1 330.501 3.865 20 0 EHADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1OC(C)C ZINC000663347754 1042737262 /nfs/dbraw/zinc/73/72/62/1042737262.db2.gz UNAKFVNUJVSBAU-SFHVURJKSA-N 2 1 346.515 3.694 20 0 EHADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1OC(C)C ZINC000663347754 1042737264 /nfs/dbraw/zinc/73/72/64/1042737264.db2.gz UNAKFVNUJVSBAU-SFHVURJKSA-N 2 1 346.515 3.694 20 0 EHADMP COc1cc2ccnc(N3CCC[N@H+](C(C)(C)C)CC3)c2cc1OC ZINC000663472435 1042900851 /nfs/dbraw/zinc/90/08/51/1042900851.db2.gz QVBGACUPXZHGJX-UHFFFAOYSA-N 2 1 343.471 3.563 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001167826124 1042958207 /nfs/dbraw/zinc/95/82/07/1042958207.db2.gz MNSWCESYYFCMSA-WOJBJXKFSA-N 2 1 331.548 3.703 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001167826591 1042960737 /nfs/dbraw/zinc/96/07/37/1042960737.db2.gz RAXQRPIYICKWPW-BVSLBCMMSA-N 2 1 343.559 3.703 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278960877 1043090316 /nfs/dbraw/zinc/09/03/16/1043090316.db2.gz MJJIFILXWHHDHU-KBPBESRZSA-N 2 1 335.398 3.706 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCCO1 ZINC000432417015 1043142098 /nfs/dbraw/zinc/14/20/98/1043142098.db2.gz JYVISAUXVKRENM-GIVPXCGWSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCCO1 ZINC000432417015 1043142100 /nfs/dbraw/zinc/14/21/00/1043142100.db2.gz JYVISAUXVKRENM-GIVPXCGWSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418630 1043143618 /nfs/dbraw/zinc/14/36/18/1043143618.db2.gz UBQHRFHNRMCADN-YRNRMSPPSA-N 2 1 334.479 3.540 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418628 1043143708 /nfs/dbraw/zinc/14/37/08/1043143708.db2.gz UBQHRFHNRMCADN-QINHECLXSA-N 2 1 334.479 3.540 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419326 1043152749 /nfs/dbraw/zinc/15/27/49/1043152749.db2.gz BCWKHILCWCIHAV-CABCVRRESA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419326 1043152753 /nfs/dbraw/zinc/15/27/53/1043152753.db2.gz BCWKHILCWCIHAV-CABCVRRESA-N 2 1 344.421 3.857 20 0 EHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432425522 1043175032 /nfs/dbraw/zinc/17/50/32/1043175032.db2.gz NAOMOVPFDYKZCJ-ROUUACIJSA-N 2 1 334.504 3.625 20 0 EHADMP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)ccc1F ZINC000432427107 1043182053 /nfs/dbraw/zinc/18/20/53/1043182053.db2.gz XINQTLIAKUDELX-OXQOHEQNSA-N 2 1 334.479 3.676 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344074145 1043204808 /nfs/dbraw/zinc/20/48/08/1043204808.db2.gz MLJBHHXVYNRKOO-SFTDATJTSA-N 2 1 330.516 3.744 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432447895 1043274688 /nfs/dbraw/zinc/27/46/88/1043274688.db2.gz QTVOJBFZCKRASA-HLAWJBBLSA-N 2 1 330.516 3.722 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432447895 1043274696 /nfs/dbraw/zinc/27/46/96/1043274696.db2.gz QTVOJBFZCKRASA-HLAWJBBLSA-N 2 1 330.516 3.722 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)CCc3ccco3)sc2C1 ZINC000344163650 1043358748 /nfs/dbraw/zinc/35/87/48/1043358748.db2.gz JIFYFHJWJBWRLI-CQSZACIVSA-N 2 1 333.501 3.614 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)CCc3ccco3)sc2C1 ZINC000344163650 1043358759 /nfs/dbraw/zinc/35/87/59/1043358759.db2.gz JIFYFHJWJBWRLI-CQSZACIVSA-N 2 1 333.501 3.614 20 0 EHADMP Cc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000512180702 1043688277 /nfs/dbraw/zinc/68/82/77/1043688277.db2.gz AZGZUWKMJAQETM-HDICACEKSA-N 2 1 330.516 3.625 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3occc3C)CC2)cs1 ZINC000344363224 1043743294 /nfs/dbraw/zinc/74/32/94/1043743294.db2.gz SKSQUFKNHLETMO-UHFFFAOYSA-N 2 1 333.501 3.609 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000391085256 1043815050 /nfs/dbraw/zinc/81/50/50/1043815050.db2.gz QPYQENPISNETEL-IJEWVQPXSA-N 2 1 326.431 3.681 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000391085256 1043815070 /nfs/dbraw/zinc/81/50/70/1043815070.db2.gz QPYQENPISNETEL-IJEWVQPXSA-N 2 1 326.431 3.681 20 0 EHADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040971 1043864436 /nfs/dbraw/zinc/86/44/36/1043864436.db2.gz KMTCTHMKZFITBY-VBNZEHGJSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040971 1043864447 /nfs/dbraw/zinc/86/44/47/1043864447.db2.gz KMTCTHMKZFITBY-VBNZEHGJSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040971 1043864466 /nfs/dbraw/zinc/86/44/66/1043864466.db2.gz KMTCTHMKZFITBY-VBNZEHGJSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040971 1043864477 /nfs/dbraw/zinc/86/44/77/1043864477.db2.gz KMTCTHMKZFITBY-VBNZEHGJSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040969 1043865377 /nfs/dbraw/zinc/86/53/77/1043865377.db2.gz KMTCTHMKZFITBY-RCBQFDQVSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040969 1043865395 /nfs/dbraw/zinc/86/53/95/1043865395.db2.gz KMTCTHMKZFITBY-RCBQFDQVSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040969 1043865417 /nfs/dbraw/zinc/86/54/17/1043865417.db2.gz KMTCTHMKZFITBY-RCBQFDQVSA-N 2 1 328.378 3.863 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000320040969 1043865445 /nfs/dbraw/zinc/86/54/45/1043865445.db2.gz KMTCTHMKZFITBY-RCBQFDQVSA-N 2 1 328.378 3.863 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000163215671 1043916036 /nfs/dbraw/zinc/91/60/36/1043916036.db2.gz JHWRZJIBPHUNBO-DLBZAZTESA-N 2 1 346.519 3.553 20 0 EHADMP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000163299470 1043926558 /nfs/dbraw/zinc/92/65/58/1043926558.db2.gz VIVJVXCLVYIYSZ-FUHWJXTLSA-N 2 1 334.504 3.867 20 0 EHADMP CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163318249 1043937291 /nfs/dbraw/zinc/93/72/91/1043937291.db2.gz WICGAFVJNYLSSD-CZUORRHYSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccccc1Br ZINC000163318249 1043937302 /nfs/dbraw/zinc/93/73/02/1043937302.db2.gz WICGAFVJNYLSSD-CZUORRHYSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1Br ZINC000163318249 1043937305 /nfs/dbraw/zinc/93/73/05/1043937305.db2.gz WICGAFVJNYLSSD-CZUORRHYSA-N 2 1 325.294 3.832 20 0 EHADMP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512250702 1044400581 /nfs/dbraw/zinc/40/05/81/1044400581.db2.gz DRVDJMSVHFTFBK-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512250702 1044400589 /nfs/dbraw/zinc/40/05/89/1044400589.db2.gz DRVDJMSVHFTFBK-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512250702 1044400595 /nfs/dbraw/zinc/40/05/95/1044400595.db2.gz DRVDJMSVHFTFBK-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512250702 1044400603 /nfs/dbraw/zinc/40/06/03/1044400603.db2.gz DRVDJMSVHFTFBK-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C12CCCC2 ZINC000512335091 1044760054 /nfs/dbraw/zinc/76/00/54/1044760054.db2.gz CBCAJALKTSRVPA-KVPLUYHFSA-N 2 1 334.548 3.967 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905099 1044839818 /nfs/dbraw/zinc/83/98/18/1044839818.db2.gz LNHWXKDMRZWBHJ-GVDBMIGSSA-N 2 1 334.504 3.517 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000154298382 1125709085 /nfs/dbraw/zinc/70/90/85/1125709085.db2.gz RBISRTAIGSPVRT-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000154298382 1125709094 /nfs/dbraw/zinc/70/90/94/1125709094.db2.gz RBISRTAIGSPVRT-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298382 1125709097 /nfs/dbraw/zinc/70/90/97/1125709097.db2.gz RBISRTAIGSPVRT-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298382 1125709102 /nfs/dbraw/zinc/70/91/02/1125709102.db2.gz RBISRTAIGSPVRT-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@H](C)C1 ZINC000169186422 1126722424 /nfs/dbraw/zinc/72/24/24/1126722424.db2.gz PHIPBQJXSJRERI-SJORKVTESA-N 2 1 338.561 3.752 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000671295902 1126873018 /nfs/dbraw/zinc/87/30/18/1126873018.db2.gz HMOZRCCGWDUFCO-ATZDWAIDSA-N 2 1 327.472 3.663 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccnc(Oc3ccccc3)c2)CC1(C)C ZINC000623354813 1126931708 /nfs/dbraw/zinc/93/17/08/1126931708.db2.gz JNOVVRWNCOMTHA-QGZVFWFLSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1(C)C ZINC000623354813 1126931712 /nfs/dbraw/zinc/93/17/12/1126931712.db2.gz JNOVVRWNCOMTHA-QGZVFWFLSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1(C)C ZINC000623354813 1126931715 /nfs/dbraw/zinc/93/17/15/1126931715.db2.gz JNOVVRWNCOMTHA-QGZVFWFLSA-N 2 1 325.456 3.836 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623372724 1126937897 /nfs/dbraw/zinc/93/78/97/1126937897.db2.gz CQFDWTVDNZNKQB-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623372724 1126937900 /nfs/dbraw/zinc/93/79/00/1126937900.db2.gz CQFDWTVDNZNKQB-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000623445445 1126957349 /nfs/dbraw/zinc/95/73/49/1126957349.db2.gz RKYCKXRSSGUJEC-OALUTQOASA-N 2 1 346.515 3.515 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000623445445 1126957350 /nfs/dbraw/zinc/95/73/50/1126957350.db2.gz RKYCKXRSSGUJEC-OALUTQOASA-N 2 1 346.515 3.515 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)ccc2n1C1CC1 ZINC000623515585 1126973358 /nfs/dbraw/zinc/97/33/58/1126973358.db2.gz HKJCKNXQEAKRHP-INIZCTEOSA-N 2 1 340.515 3.896 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)ccc2n1C1CC1 ZINC000623515585 1126973361 /nfs/dbraw/zinc/97/33/61/1126973361.db2.gz HKJCKNXQEAKRHP-INIZCTEOSA-N 2 1 340.515 3.896 20 0 EHADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646471 1127002543 /nfs/dbraw/zinc/00/25/43/1127002543.db2.gz HKLDRCVYVMFVAD-WOJBJXKFSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646471 1127002547 /nfs/dbraw/zinc/00/25/47/1127002547.db2.gz HKLDRCVYVMFVAD-WOJBJXKFSA-N 2 1 330.516 3.570 20 0 EHADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000180765793 1127185773 /nfs/dbraw/zinc/18/57/73/1127185773.db2.gz DCCTYVORQKUWRK-HGHGUNKESA-N 2 1 328.500 3.747 20 0 EHADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cc(C)ccc1C ZINC000623889274 1127210833 /nfs/dbraw/zinc/21/08/33/1127210833.db2.gz JBIZXLJJRRLAFP-FQEVSTJZSA-N 2 1 330.516 3.989 20 0 EHADMP CC[C@H](CCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000623889645 1127210876 /nfs/dbraw/zinc/21/08/76/1127210876.db2.gz SGZXVSUCZMUWOB-HXUWFJFHSA-N 2 1 330.516 3.632 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119887 1127255988 /nfs/dbraw/zinc/25/59/88/1127255988.db2.gz LSVWHKVYSLEZBX-ZWKOTPCHSA-N 2 1 345.531 3.849 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000624123514 1127256578 /nfs/dbraw/zinc/25/65/78/1127256578.db2.gz NNCMYGNLEQHTGL-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000624123514 1127256579 /nfs/dbraw/zinc/25/65/79/1127256579.db2.gz NNCMYGNLEQHTGL-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119886 1127255208 /nfs/dbraw/zinc/25/52/08/1127255208.db2.gz LSVWHKVYSLEZBX-ROUUACIJSA-N 2 1 345.531 3.849 20 0 EHADMP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000181480998 1127278944 /nfs/dbraw/zinc/27/89/44/1127278944.db2.gz YVBQIZMBBGJOFQ-CABCVRRESA-N 2 1 328.456 3.966 20 0 EHADMP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000181480998 1127278946 /nfs/dbraw/zinc/27/89/46/1127278946.db2.gz YVBQIZMBBGJOFQ-CABCVRRESA-N 2 1 328.456 3.966 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2Br)CC[N@H+]1C ZINC000181523774 1127281458 /nfs/dbraw/zinc/28/14/58/1127281458.db2.gz FFRFSSLQDIMRFQ-UONOGXRCSA-N 2 1 339.321 3.799 20 0 EHADMP C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181933596 1127303585 /nfs/dbraw/zinc/30/35/85/1127303585.db2.gz RWQCVWFYTAGNRR-IBGZPJMESA-N 2 1 346.515 3.562 20 0 EHADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181933596 1127303587 /nfs/dbraw/zinc/30/35/87/1127303587.db2.gz RWQCVWFYTAGNRR-IBGZPJMESA-N 2 1 346.515 3.562 20 0 EHADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181933596 1127303592 /nfs/dbraw/zinc/30/35/92/1127303592.db2.gz RWQCVWFYTAGNRR-IBGZPJMESA-N 2 1 346.515 3.562 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1Br ZINC000182113288 1127312383 /nfs/dbraw/zinc/31/23/83/1127312383.db2.gz FPZWXYJFFJPJKY-TZMCWYRMSA-N 2 1 341.293 3.593 20 0 EHADMP Cn1ccnc1[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000183238109 1127368988 /nfs/dbraw/zinc/36/89/88/1127368988.db2.gz QPNYQRJPOVDULM-HXUWFJFHSA-N 2 1 338.499 3.647 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000183322921 1127371967 /nfs/dbraw/zinc/37/19/67/1127371967.db2.gz JVFZSBJMIPDOOB-XNJGSVPQSA-N 2 1 345.314 3.828 20 0 EHADMP C[C@H](CC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)[NH+]1CCCCC1 ZINC000184500658 1127406366 /nfs/dbraw/zinc/40/63/66/1127406366.db2.gz WVTLUKPPIKZACI-RTBURBONSA-N 2 1 340.515 3.847 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321395 1127537399 /nfs/dbraw/zinc/53/73/99/1127537399.db2.gz BCMWAPAPKVUABM-PKOBYXMFSA-N 2 1 327.447 3.784 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321395 1127537402 /nfs/dbraw/zinc/53/74/02/1127537402.db2.gz BCMWAPAPKVUABM-PKOBYXMFSA-N 2 1 327.447 3.784 20 0 EHADMP CC(C)[NH+]1CCC(NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000387328261 1127746846 /nfs/dbraw/zinc/74/68/46/1127746846.db2.gz DAPVXMIJPFXUOY-UHFFFAOYSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000387328261 1127746850 /nfs/dbraw/zinc/74/68/50/1127746850.db2.gz DAPVXMIJPFXUOY-UHFFFAOYSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000041872979 1127880251 /nfs/dbraw/zinc/88/02/51/1127880251.db2.gz DSQLCDGKGFSVCI-UHFFFAOYSA-N 2 1 347.462 3.988 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000166261784 1128094425 /nfs/dbraw/zinc/09/44/25/1128094425.db2.gz JVDCSNYHGRDXOK-YPAWHYETSA-N 2 1 341.543 3.676 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671759958 1128246417 /nfs/dbraw/zinc/24/64/17/1128246417.db2.gz CDUBKBOJZAHATD-OFQRWUPVSA-N 2 1 343.471 3.837 20 0 EHADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671750493 1128203646 /nfs/dbraw/zinc/20/36/46/1128203646.db2.gz AJNAYGICZLPFJC-FNOBOGDDSA-N 2 1 330.516 3.834 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168617664 1128449510 /nfs/dbraw/zinc/44/95/10/1128449510.db2.gz VMTQAGKEZFWDSE-HZKQSDJQSA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168617664 1128449511 /nfs/dbraw/zinc/44/95/11/1128449511.db2.gz VMTQAGKEZFWDSE-HZKQSDJQSA-N 2 1 344.499 3.520 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000655848595 1128500722 /nfs/dbraw/zinc/50/07/22/1128500722.db2.gz IHPUBDWVVLFKEG-ZHHKINOHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000655848595 1128500729 /nfs/dbraw/zinc/50/07/29/1128500729.db2.gz IHPUBDWVVLFKEG-ZHHKINOHSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000655848595 1128500732 /nfs/dbraw/zinc/50/07/32/1128500732.db2.gz IHPUBDWVVLFKEG-ZHHKINOHSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903445420 1128513815 /nfs/dbraw/zinc/51/38/15/1128513815.db2.gz ZYRVYKKUAULQJT-JTDSTZFVSA-N 2 1 326.488 3.610 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903445420 1128513819 /nfs/dbraw/zinc/51/38/19/1128513819.db2.gz ZYRVYKKUAULQJT-JTDSTZFVSA-N 2 1 326.488 3.610 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000921686687 1128519835 /nfs/dbraw/zinc/51/98/35/1128519835.db2.gz NKQZYPVGSSEQJY-UHFFFAOYSA-N 2 1 332.879 3.682 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000921686687 1128519840 /nfs/dbraw/zinc/51/98/40/1128519840.db2.gz NKQZYPVGSSEQJY-UHFFFAOYSA-N 2 1 332.879 3.682 20 0 EHADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000542845711 1128685892 /nfs/dbraw/zinc/68/58/92/1128685892.db2.gz HLNICVMIGVYMJS-DUXKGJEZSA-N 2 1 330.516 3.702 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000921776184 1128751721 /nfs/dbraw/zinc/75/17/21/1128751721.db2.gz MQETZCABGUZKME-VAVNGKDRSA-N 2 1 348.556 3.926 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000921776184 1128751725 /nfs/dbraw/zinc/75/17/25/1128751725.db2.gz MQETZCABGUZKME-VAVNGKDRSA-N 2 1 348.556 3.926 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000494886096 1120895025 /nfs/dbraw/zinc/89/50/25/1120895025.db2.gz MCMZAUHZAZITJC-SJLPKXTDSA-N 2 1 333.524 3.670 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000494929823 1120903953 /nfs/dbraw/zinc/90/39/53/1120903953.db2.gz JUEKXJYLTVUYGQ-UHFFFAOYSA-N 2 1 344.952 3.972 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000229506314 1120966263 /nfs/dbraw/zinc/96/62/63/1120966263.db2.gz RACSFGZGAHXFMX-UHFFFAOYSA-N 2 1 339.199 3.509 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184870 1120982479 /nfs/dbraw/zinc/98/24/79/1120982479.db2.gz RRIRIVMLFTZXTN-PBFPGSCMSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184870 1120982482 /nfs/dbraw/zinc/98/24/82/1120982482.db2.gz RRIRIVMLFTZXTN-PBFPGSCMSA-N 2 1 342.314 3.502 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000237232322 1121477115 /nfs/dbraw/zinc/47/71/15/1121477115.db2.gz DNEOULDYRCXJMK-KRWDZBQOSA-N 2 1 348.531 3.879 20 0 EHADMP CC(C)C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccs1 ZINC000124475924 1122285404 /nfs/dbraw/zinc/28/54/04/1122285404.db2.gz UFPRWEKLWAGXLH-SFHVURJKSA-N 2 1 337.577 3.699 20 0 EHADMP CC[NH+](CC)[C@H](C)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000127533700 1122491725 /nfs/dbraw/zinc/49/17/25/1122491725.db2.gz KVEVUAKTINSUOA-MRXNPFEDSA-N 2 1 337.939 3.624 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626796 1122812176 /nfs/dbraw/zinc/81/21/76/1122812176.db2.gz MVJGSWJTSVYYKY-KCXAZCMYSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626796 1122812182 /nfs/dbraw/zinc/81/21/82/1122812182.db2.gz MVJGSWJTSVYYKY-KCXAZCMYSA-N 2 1 325.294 3.973 20 0 EHADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000069833301 1122842786 /nfs/dbraw/zinc/84/27/86/1122842786.db2.gz PVSXRBRWSRNTMC-KDURUIRLSA-N 2 1 338.495 3.894 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000498349972 1122879634 /nfs/dbraw/zinc/87/96/34/1122879634.db2.gz NNTKRHKKOUPWBM-YADHBBJMSA-N 2 1 343.559 3.720 20 0 EHADMP Cc1c(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236213115 1123088781 /nfs/dbraw/zinc/08/87/81/1123088781.db2.gz AZCGLGIXWBWZOQ-HZPDHXFCSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1c(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC001236213115 1123088777 /nfs/dbraw/zinc/08/87/77/1123088777.db2.gz AZCGLGIXWBWZOQ-HZPDHXFCSA-N 2 1 325.294 3.768 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000072858882 1123169733 /nfs/dbraw/zinc/16/97/33/1123169733.db2.gz ARMXOYUVZLPTMG-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000072858882 1123169737 /nfs/dbraw/zinc/16/97/37/1123169737.db2.gz ARMXOYUVZLPTMG-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000072858882 1123169738 /nfs/dbraw/zinc/16/97/38/1123169738.db2.gz ARMXOYUVZLPTMG-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556924586 1123212419 /nfs/dbraw/zinc/21/24/19/1123212419.db2.gz UHQKXQAMWZCXBD-GDBMZVCRSA-N 2 1 326.406 3.829 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000132449510 1123231058 /nfs/dbraw/zinc/23/10/58/1123231058.db2.gz PWDXXKNMTVGIDC-KRWDZBQOSA-N 2 1 339.405 3.694 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C[C@H]1c1ccccc1 ZINC000517226295 1123719161 /nfs/dbraw/zinc/71/91/61/1123719161.db2.gz MFRWFGTXJHVZOE-UFYCRDLUSA-N 2 1 328.500 3.903 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C[C@H]1c1ccccc1 ZINC000517226295 1123719165 /nfs/dbraw/zinc/71/91/65/1123719165.db2.gz MFRWFGTXJHVZOE-UFYCRDLUSA-N 2 1 328.500 3.903 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096179 1123774998 /nfs/dbraw/zinc/77/49/98/1123774998.db2.gz ZRZMULRGKZYDFX-IIBYNOLFSA-N 2 1 340.515 3.651 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096179 1123775002 /nfs/dbraw/zinc/77/50/02/1123775002.db2.gz ZRZMULRGKZYDFX-IIBYNOLFSA-N 2 1 340.515 3.651 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096179 1123775004 /nfs/dbraw/zinc/77/50/04/1123775004.db2.gz ZRZMULRGKZYDFX-IIBYNOLFSA-N 2 1 340.515 3.651 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516096 1123827981 /nfs/dbraw/zinc/82/79/81/1123827981.db2.gz MPRPQSGJPUBKGR-HNNXBMFYSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516096 1123827983 /nfs/dbraw/zinc/82/79/83/1123827983.db2.gz MPRPQSGJPUBKGR-HNNXBMFYSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516096 1123827988 /nfs/dbraw/zinc/82/79/88/1123827988.db2.gz MPRPQSGJPUBKGR-HNNXBMFYSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000081516096 1123827991 /nfs/dbraw/zinc/82/79/91/1123827991.db2.gz MPRPQSGJPUBKGR-HNNXBMFYSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000081567709 1123846578 /nfs/dbraw/zinc/84/65/78/1123846578.db2.gz APPPLKZAMPSUJC-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(F)c2F)[C@@H](C)C1 ZINC000245602153 1123893286 /nfs/dbraw/zinc/89/32/86/1123893286.db2.gz PHQPWZPSJRFLKF-DAYGRLMNSA-N 2 1 340.458 3.752 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000245668064 1123917608 /nfs/dbraw/zinc/91/76/08/1123917608.db2.gz GXSHDGZBGDJODD-YSTOQKLRSA-N 2 1 330.516 3.833 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2COc4ccccc4C2)C3)cc1 ZINC000245720460 1123936094 /nfs/dbraw/zinc/93/60/94/1123936094.db2.gz OSNIHYYMZCGALK-MYGLTJDJSA-N 2 1 348.490 3.775 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000245826372 1123956373 /nfs/dbraw/zinc/95/63/73/1123956373.db2.gz AZPMWGDJPIPUFQ-VBSBHUPXSA-N 2 1 330.516 3.690 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000245838973 1123959342 /nfs/dbraw/zinc/95/93/42/1123959342.db2.gz BAWLEOAHKHQQAX-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000245838973 1123959344 /nfs/dbraw/zinc/95/93/44/1123959344.db2.gz BAWLEOAHKHQQAX-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP Fc1ccccc1SCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246917647 1124565564 /nfs/dbraw/zinc/56/55/64/1124565564.db2.gz SJPBPFLMLVJWBV-YJBOKZPZSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246917647 1124565574 /nfs/dbraw/zinc/56/55/74/1124565574.db2.gz SJPBPFLMLVJWBV-YJBOKZPZSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246917647 1124565607 /nfs/dbraw/zinc/56/56/07/1124565607.db2.gz SJPBPFLMLVJWBV-YJBOKZPZSA-N 2 1 334.504 3.867 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000247036531 1124580209 /nfs/dbraw/zinc/58/02/09/1124580209.db2.gz MMVKEKZEJPZPAQ-YQVWRLOYSA-N 2 1 330.516 3.825 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000247160768 1124592964 /nfs/dbraw/zinc/59/29/64/1124592964.db2.gz UDQSWBGSCUKDJY-NYUBLWNDSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000248060198 1124637458 /nfs/dbraw/zinc/63/74/58/1124637458.db2.gz YDVUNBYTQLFXNA-DLBZAZTESA-N 2 1 345.487 3.558 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)[C@H](C)C1 ZINC000248185128 1124645564 /nfs/dbraw/zinc/64/55/64/1124645564.db2.gz XDSORJNOPUWRCV-QMMLZNLJSA-N 2 1 330.516 3.709 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249185918 1124744565 /nfs/dbraw/zinc/74/45/65/1124744565.db2.gz KTIQRQOWIZNKCA-SJLPKXTDSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249185918 1124744571 /nfs/dbraw/zinc/74/45/71/1124744571.db2.gz KTIQRQOWIZNKCA-SJLPKXTDSA-N 2 1 338.499 3.868 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cn2cc(C)cnc2=S)CC1 ZINC000181455831 1124854295 /nfs/dbraw/zinc/85/42/95/1124854295.db2.gz ZCWZUOUELUCZMY-UHFFFAOYSA-N 2 1 336.549 3.713 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546381 1129273244 /nfs/dbraw/zinc/27/32/44/1129273244.db2.gz YXGAXGOLLILZKF-QGZVFWFLSA-N 2 1 332.532 3.824 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546381 1129273246 /nfs/dbraw/zinc/27/32/46/1129273246.db2.gz YXGAXGOLLILZKF-QGZVFWFLSA-N 2 1 332.532 3.824 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCCc2ccccc2Br)CC1 ZINC000543206085 1129336469 /nfs/dbraw/zinc/33/64/69/1129336469.db2.gz ODWVMQVIYCMYSH-UHFFFAOYSA-N 2 1 339.321 3.798 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccccc2Br)CC1 ZINC000543206085 1129336472 /nfs/dbraw/zinc/33/64/72/1129336472.db2.gz ODWVMQVIYCMYSH-UHFFFAOYSA-N 2 1 339.321 3.798 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2c(s1)CCCC2 ZINC000765979868 1129431777 /nfs/dbraw/zinc/43/17/77/1129431777.db2.gz XPZPHMJYWHPFOY-QAPCUYQASA-N 2 1 348.556 3.921 20 0 EHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C3CCC3)cc1)C2 ZINC000922388783 1129515024 /nfs/dbraw/zinc/51/50/24/1129515024.db2.gz FWFSEYSHSDVTRD-GXRSIYKFSA-N 2 1 342.527 3.523 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499914604 1129566807 /nfs/dbraw/zinc/56/68/07/1129566807.db2.gz UWZPHSFHRLJLSI-CQSZACIVSA-N 2 1 325.294 3.928 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000673602709 1129610254 /nfs/dbraw/zinc/61/02/54/1129610254.db2.gz NBCLRGHCNSBWEM-XUJVJEKNSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000673602709 1129610255 /nfs/dbraw/zinc/61/02/55/1129610255.db2.gz NBCLRGHCNSBWEM-XUJVJEKNSA-N 2 1 343.284 3.592 20 0 EHADMP Oc1ccc(Cl)c(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000625395568 1129859760 /nfs/dbraw/zinc/85/97/60/1129859760.db2.gz IPTHFMIFKDHHQR-AWEZNQCLSA-N 2 1 345.874 3.958 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000674758571 1130188523 /nfs/dbraw/zinc/18/85/23/1130188523.db2.gz NMQRKRWPPCOXNZ-CQSZACIVSA-N 2 1 331.423 3.908 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000785476397 1130301588 /nfs/dbraw/zinc/30/15/88/1130301588.db2.gz COYFKGXKGSLRMV-CRAIPNDOSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000785476397 1130301592 /nfs/dbraw/zinc/30/15/92/1130301592.db2.gz COYFKGXKGSLRMV-CRAIPNDOSA-N 2 1 333.476 3.763 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000246791591 1130412991 /nfs/dbraw/zinc/41/29/91/1130412991.db2.gz HUPQJOHQPJXQHS-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246791591 1130412994 /nfs/dbraw/zinc/41/29/94/1130412994.db2.gz HUPQJOHQPJXQHS-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246791591 1130413010 /nfs/dbraw/zinc/41/30/10/1130413010.db2.gz HUPQJOHQPJXQHS-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752540 1130465312 /nfs/dbraw/zinc/46/53/12/1130465312.db2.gz YIXNONCEBWVYTI-XOKHGSTOSA-N 2 1 326.406 3.853 20 0 EHADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675880900 1130499810 /nfs/dbraw/zinc/49/98/10/1130499810.db2.gz IQIPREPRDRMYKP-DYESRHJHSA-N 2 1 346.515 3.769 20 0 EHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675882615 1130501246 /nfs/dbraw/zinc/50/12/46/1130501246.db2.gz STNPCSZTUIDTTC-UWJYYQICSA-N 2 1 346.515 3.768 20 0 EHADMP c1ccc(C2CCC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000675882617 1130501302 /nfs/dbraw/zinc/50/13/02/1130501302.db2.gz STUOSQNISARQMX-QETWGEEDSA-N 2 1 342.527 3.946 20 0 EHADMP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000282688728 1131141190 /nfs/dbraw/zinc/14/11/90/1131141190.db2.gz KCYWJBXZFWIWLA-OWZKRDHZSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000738091519 1131461178 /nfs/dbraw/zinc/46/11/78/1131461178.db2.gz YWUSQJLMPAXLSA-UHFFFAOYSA-N 2 1 326.488 3.560 20 0 EHADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000766245032 1131518261 /nfs/dbraw/zinc/51/82/61/1131518261.db2.gz XENUICDKXORPQT-UHFFFAOYSA-N 2 1 332.517 3.825 20 0 EHADMP CCOCC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001172424352 1131723694 /nfs/dbraw/zinc/72/36/94/1131723694.db2.gz NTXORPDLVCNZOQ-SEVLPDGMSA-N 2 1 330.516 3.912 20 0 EHADMP CCOCC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001172424352 1131723697 /nfs/dbraw/zinc/72/36/97/1131723697.db2.gz NTXORPDLVCNZOQ-SEVLPDGMSA-N 2 1 330.516 3.912 20 0 EHADMP CCOCC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001172424352 1131723703 /nfs/dbraw/zinc/72/37/03/1131723703.db2.gz NTXORPDLVCNZOQ-SEVLPDGMSA-N 2 1 330.516 3.912 20 0 EHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172485201 1131740128 /nfs/dbraw/zinc/74/01/28/1131740128.db2.gz UPIFNPNIUQUVFM-BVSLBCMMSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172485201 1131740133 /nfs/dbraw/zinc/74/01/33/1131740133.db2.gz UPIFNPNIUQUVFM-BVSLBCMMSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172485201 1131740139 /nfs/dbraw/zinc/74/01/39/1131740139.db2.gz UPIFNPNIUQUVFM-BVSLBCMMSA-N 2 1 344.543 3.892 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172717169 1131819295 /nfs/dbraw/zinc/81/92/95/1131819295.db2.gz QWIURCCOHZRXKQ-YWZLYKJASA-N 2 1 328.887 3.904 20 0 EHADMP Cc1ccc2c(c1)C[C@H](N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001172840451 1131864029 /nfs/dbraw/zinc/86/40/29/1131864029.db2.gz YSPXXSXJUADQAX-OAQYLSRUSA-N 2 1 335.495 3.814 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3[nH+]cccc3C)CC1)CC2 ZINC001172841606 1131865471 /nfs/dbraw/zinc/86/54/71/1131865471.db2.gz IDXRUSXLEDGTJW-OAQYLSRUSA-N 2 1 335.495 3.814 20 0 EHADMP C[NH+]1CCC(c2ccc(Nc3cnc4c(c3)C[N@H+](C)CC4)cc2)CC1 ZINC001212687610 1131873402 /nfs/dbraw/zinc/87/34/02/1131873402.db2.gz CLBSOYUQDWULFS-UHFFFAOYSA-N 2 1 336.483 3.622 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)C2CCC3(CCOCC3)CC2)[nH+]1 ZINC001173048646 1131943073 /nfs/dbraw/zinc/94/30/73/1131943073.db2.gz DHYVPCDFCMEUIN-UHFFFAOYSA-N 2 1 343.515 3.688 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173084435 1131963120 /nfs/dbraw/zinc/96/31/20/1131963120.db2.gz BPRNDUHXWAJQMQ-PBHICJAKSA-N 2 1 342.405 3.544 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001173084435 1131963127 /nfs/dbraw/zinc/96/31/27/1131963127.db2.gz BPRNDUHXWAJQMQ-PBHICJAKSA-N 2 1 342.405 3.544 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173136137 1131977372 /nfs/dbraw/zinc/97/73/72/1131977372.db2.gz PGMWDPUIIPRZCD-NXHRZFHOSA-N 2 1 341.524 3.501 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173136137 1131977377 /nfs/dbraw/zinc/97/73/77/1131977377.db2.gz PGMWDPUIIPRZCD-NXHRZFHOSA-N 2 1 341.524 3.501 20 0 EHADMP CCCOC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173099249 1131978330 /nfs/dbraw/zinc/97/83/30/1131978330.db2.gz DEHQULQMIFNXIY-FDRBHKFBSA-N 2 1 342.527 3.788 20 0 EHADMP CCCOC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173099249 1131978337 /nfs/dbraw/zinc/97/83/37/1131978337.db2.gz DEHQULQMIFNXIY-FDRBHKFBSA-N 2 1 342.527 3.788 20 0 EHADMP CCCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173099249 1131978340 /nfs/dbraw/zinc/97/83/40/1131978340.db2.gz DEHQULQMIFNXIY-FDRBHKFBSA-N 2 1 342.527 3.788 20 0 EHADMP CCc1ccc(C[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])cc1 ZINC001173237225 1132026341 /nfs/dbraw/zinc/02/63/41/1132026341.db2.gz AALGQPDHMFOXQE-KRWDZBQOSA-N 3 1 333.564 3.655 20 0 EHADMP CCSC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001173308041 1132036389 /nfs/dbraw/zinc/03/63/89/1132036389.db2.gz KUAUQXSCCHUHDM-IHPCNDPISA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001173308041 1132036398 /nfs/dbraw/zinc/03/63/98/1132036398.db2.gz KUAUQXSCCHUHDM-IHPCNDPISA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001173308041 1132036406 /nfs/dbraw/zinc/03/64/06/1132036406.db2.gz KUAUQXSCCHUHDM-IHPCNDPISA-N 2 1 332.557 3.972 20 0 EHADMP CC[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279025 1132039192 /nfs/dbraw/zinc/03/91/92/1132039192.db2.gz OAIOALXQEIRADQ-ZPAWYTMASA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279025 1132039200 /nfs/dbraw/zinc/03/92/00/1132039200.db2.gz OAIOALXQEIRADQ-ZPAWYTMASA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)C1 ZINC001173279025 1132039207 /nfs/dbraw/zinc/03/92/07/1132039207.db2.gz OAIOALXQEIRADQ-ZPAWYTMASA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1 ZINC001173279025 1132039214 /nfs/dbraw/zinc/03/92/14/1132039214.db2.gz OAIOALXQEIRADQ-ZPAWYTMASA-N 2 1 344.547 3.635 20 0 EHADMP CCC(CC)[N@@H+]([C@@H](C)CCCCC(=O)OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173444764 1132078318 /nfs/dbraw/zinc/07/83/18/1132078318.db2.gz JCHIZCROQDEZTF-BQFCYCMXSA-N 2 1 326.525 3.869 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206211393 1132119704 /nfs/dbraw/zinc/11/97/04/1132119704.db2.gz OACZXGWDKCEZCX-MOPGFXCFSA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206211393 1132119711 /nfs/dbraw/zinc/11/97/11/1132119711.db2.gz OACZXGWDKCEZCX-MOPGFXCFSA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206211393 1132119715 /nfs/dbraw/zinc/11/97/15/1132119715.db2.gz OACZXGWDKCEZCX-MOPGFXCFSA-N 2 1 346.421 3.763 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([N@H+](C)CCC[NH+](C)C)CC2)cc1 ZINC001173790425 1132149559 /nfs/dbraw/zinc/14/95/59/1132149559.db2.gz FVPRLXARGOTAFU-UHFFFAOYSA-N 2 1 332.488 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379645651 1132198332 /nfs/dbraw/zinc/19/83/32/1132198332.db2.gz IFGXTVXURDWRPP-UKRRQHHQSA-N 2 1 332.435 3.882 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379645651 1132198336 /nfs/dbraw/zinc/19/83/36/1132198336.db2.gz IFGXTVXURDWRPP-UKRRQHHQSA-N 2 1 332.435 3.882 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379635006 1132436578 /nfs/dbraw/zinc/43/65/78/1132436578.db2.gz VWCMMYLDNCGIFU-RDJZCZTQSA-N 2 1 344.421 3.598 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379635006 1132436581 /nfs/dbraw/zinc/43/65/81/1132436581.db2.gz VWCMMYLDNCGIFU-RDJZCZTQSA-N 2 1 344.421 3.598 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2Cc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000379657970 1132436691 /nfs/dbraw/zinc/43/66/91/1132436691.db2.gz VALUDZOOVZSNBS-JRGCBEDISA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2Cc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000379657970 1132436696 /nfs/dbraw/zinc/43/66/96/1132436696.db2.gz VALUDZOOVZSNBS-JRGCBEDISA-N 2 1 336.479 3.633 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccc(-c3ccccc3)cc1)C2 ZINC001169102305 1132655809 /nfs/dbraw/zinc/65/58/09/1132655809.db2.gz ZISCAHGBIDKQPE-MZADTFQBSA-N 2 1 336.479 3.947 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[C@H](c4ccccc4)CO3)CC1)C2 ZINC001169133955 1132666829 /nfs/dbraw/zinc/66/68/29/1132666829.db2.gz OIBHMJBPLFLPIK-UWHLTILDSA-N 2 1 340.511 3.650 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccncc3)CCC(F)(F)CC1)C2 ZINC001169115030 1132673154 /nfs/dbraw/zinc/67/31/54/1132673154.db2.gz HAVHAHUNINLGCR-BCDXTJNWSA-N 2 1 349.469 3.787 20 0 EHADMP CN(CCC[NH+]1CCCCC1)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001175593194 1132706011 /nfs/dbraw/zinc/70/60/11/1132706011.db2.gz OGWDUEMUZKBUQH-JOCHJYFZSA-N 2 1 343.559 3.849 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](c2cccnc2C(F)(F)F)C2CC2)CC1 ZINC001169244749 1132708914 /nfs/dbraw/zinc/70/89/14/1132708914.db2.gz VEOFQZLBPJQBRO-HNNXBMFYSA-N 2 1 327.394 3.625 20 0 EHADMP C[N@H+]1CCC=C(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)C1 ZINC001175582052 1132715648 /nfs/dbraw/zinc/71/56/48/1132715648.db2.gz CRAMOIFKHJHHDO-OAQYLSRUSA-N 2 1 325.500 3.661 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206012471 1132777304 /nfs/dbraw/zinc/77/73/04/1132777304.db2.gz LVLWUSPGZUMDFY-OLZOCXBDSA-N 2 1 343.284 3.703 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000767447804 1133004585 /nfs/dbraw/zinc/00/45/85/1133004585.db2.gz CUIGBQWMYHVPQZ-MRXNPFEDSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000767447804 1133004592 /nfs/dbraw/zinc/00/45/92/1133004592.db2.gz CUIGBQWMYHVPQZ-MRXNPFEDSA-N 2 1 342.270 3.554 20 0 EHADMP COc1nsc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1Cl ZINC001177299180 1133048760 /nfs/dbraw/zinc/04/87/60/1133048760.db2.gz LMZCMHDNIDLRFU-GFCCVEGCSA-N 2 1 331.913 3.549 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001206304505 1133069507 /nfs/dbraw/zinc/06/95/07/1133069507.db2.gz LUDYHROJXOZCGM-HNNXBMFYSA-N 2 1 329.257 3.539 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)c1 ZINC001177737835 1133098578 /nfs/dbraw/zinc/09/85/78/1133098578.db2.gz VHKZICVXLMIUDM-UHFFFAOYSA-N 2 1 342.874 3.729 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500832 1133146000 /nfs/dbraw/zinc/14/60/00/1133146000.db2.gz GAAVWBPPNQOXTN-RDJZCZTQSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500832 1133146004 /nfs/dbraw/zinc/14/60/04/1133146004.db2.gz GAAVWBPPNQOXTN-RDJZCZTQSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500832 1133146010 /nfs/dbraw/zinc/14/60/10/1133146010.db2.gz GAAVWBPPNQOXTN-RDJZCZTQSA-N 2 1 327.497 3.744 20 0 EHADMP Cc1cc(Br)sc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206325281 1133158078 /nfs/dbraw/zinc/15/80/78/1133158078.db2.gz HBGLDUNEUBAILW-CQSZACIVSA-N 2 1 331.323 3.770 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@@H]1C ZINC000769471512 1133298456 /nfs/dbraw/zinc/29/84/56/1133298456.db2.gz UYKZXXFOJCYAQL-LRDDRELGSA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@@H]1C ZINC000769471512 1133298460 /nfs/dbraw/zinc/29/84/60/1133298460.db2.gz UYKZXXFOJCYAQL-LRDDRELGSA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@@H]1C ZINC000769471512 1133298463 /nfs/dbraw/zinc/29/84/63/1133298463.db2.gz UYKZXXFOJCYAQL-LRDDRELGSA-N 2 1 346.544 3.921 20 0 EHADMP COC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC001179919925 1133306956 /nfs/dbraw/zinc/30/69/56/1133306956.db2.gz QJHBUEYFLJKOPY-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC001179919925 1133306960 /nfs/dbraw/zinc/30/69/60/1133306960.db2.gz QJHBUEYFLJKOPY-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)[N@@H+](C)CC1CCN(Cn2nc(Cl)c3ccccc32)CC1 ZINC000769647716 1133325969 /nfs/dbraw/zinc/32/59/69/1133325969.db2.gz QNTQYYXBLPIKHM-UHFFFAOYSA-N 2 1 334.895 3.699 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769647716 1133325973 /nfs/dbraw/zinc/32/59/73/1133325973.db2.gz QNTQYYXBLPIKHM-UHFFFAOYSA-N 2 1 334.895 3.699 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769647716 1133325978 /nfs/dbraw/zinc/32/59/78/1133325978.db2.gz QNTQYYXBLPIKHM-UHFFFAOYSA-N 2 1 334.895 3.699 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCCC[C@H]1C ZINC001180810374 1133418824 /nfs/dbraw/zinc/41/88/24/1133418824.db2.gz LOQKBHROPLJTLU-JYWFKMLOSA-N 2 1 330.516 3.558 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)O ZINC001181754337 1133521873 /nfs/dbraw/zinc/52/18/73/1133521873.db2.gz ZPXPRKYCSOIYRE-HFSMHLIXSA-N 2 1 332.532 3.674 20 0 EHADMP CC[NH+]1CCC(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001182195275 1133590380 /nfs/dbraw/zinc/59/03/80/1133590380.db2.gz CUFHGFIGECFLLF-JOCHJYFZSA-N 3 1 343.559 3.610 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205303322 1133968038 /nfs/dbraw/zinc/96/80/38/1133968038.db2.gz CPBVPGNMCSKFLN-PWSUYJOCSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205303322 1133968042 /nfs/dbraw/zinc/96/80/42/1133968042.db2.gz CPBVPGNMCSKFLN-PWSUYJOCSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303978 1133974804 /nfs/dbraw/zinc/97/48/04/1133974804.db2.gz MBTMKIFYDPGLHB-PWSUYJOCSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303978 1133974808 /nfs/dbraw/zinc/97/48/08/1133974808.db2.gz MBTMKIFYDPGLHB-PWSUYJOCSA-N 2 1 336.785 3.655 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000774978550 1134174955 /nfs/dbraw/zinc/17/49/55/1134174955.db2.gz WCKVWXFEMZPZTA-UHFFFAOYSA-N 2 1 337.305 3.722 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C1 ZINC001170139653 1134435283 /nfs/dbraw/zinc/43/52/83/1134435283.db2.gz VMCYNGKDDDWZCD-HLAWJBBLSA-N 2 1 342.527 3.931 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001170180912 1134699704 /nfs/dbraw/zinc/69/97/04/1134699704.db2.gz DGTWTVCWSNJQPI-QKIJFTERSA-N 2 1 348.490 3.521 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@@H+]2CC[C@H](C)C2)ccc1OC ZINC000775393239 1134712426 /nfs/dbraw/zinc/71/24/26/1134712426.db2.gz FAZXRERJKWBTSV-ROUUACIJSA-N 2 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@H+]2CC[C@H](C)C2)ccc1OC ZINC000775393239 1134712433 /nfs/dbraw/zinc/71/24/33/1134712433.db2.gz FAZXRERJKWBTSV-ROUUACIJSA-N 2 1 347.547 3.529 20 0 EHADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001170257178 1134725014 /nfs/dbraw/zinc/72/50/14/1134725014.db2.gz VJWLVOICTTZWPT-XJRBWHPUSA-N 2 1 340.898 3.991 20 0 EHADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001170257178 1134725021 /nfs/dbraw/zinc/72/50/21/1134725021.db2.gz VJWLVOICTTZWPT-XJRBWHPUSA-N 2 1 340.898 3.991 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170427738 1134873332 /nfs/dbraw/zinc/87/33/32/1134873332.db2.gz YBIQCPKQAPBCOX-IRXDYDNUSA-N 2 1 332.488 3.589 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170427738 1134873335 /nfs/dbraw/zinc/87/33/35/1134873335.db2.gz YBIQCPKQAPBCOX-IRXDYDNUSA-N 2 1 332.488 3.589 20 0 EHADMP Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570986 1134919689 /nfs/dbraw/zinc/91/96/89/1134919689.db2.gz RGEBAIUQZNKABO-HNNXBMFYSA-N 2 1 347.247 3.550 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC001191838512 1134933270 /nfs/dbraw/zinc/93/32/70/1134933270.db2.gz JWEGQXAEMFEVBW-SFHVURJKSA-N 2 1 329.532 3.634 20 0 EHADMP C[C@H]([NH2+][C@@H](CCO)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509085 1134975276 /nfs/dbraw/zinc/97/52/76/1134975276.db2.gz HMNKRDZBVDXIOA-UHOSZYNNSA-N 2 1 344.524 3.672 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Br)CC[C@H]1C[NH3+] ZINC001205626907 1135118109 /nfs/dbraw/zinc/11/81/09/1135118109.db2.gz KNSNKUQPHITUGT-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2Cl)[C@H](C)C1 ZINC001193649243 1135166612 /nfs/dbraw/zinc/16/66/12/1135166612.db2.gz MYMSMPRIKSINFO-VQIMIIECSA-N 2 1 338.923 3.875 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2Cl)[C@H](C)C1 ZINC001193649243 1135166614 /nfs/dbraw/zinc/16/66/14/1135166614.db2.gz MYMSMPRIKSINFO-VQIMIIECSA-N 2 1 338.923 3.875 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651257 1135200187 /nfs/dbraw/zinc/20/01/87/1135200187.db2.gz BTEOHBBGABFYQX-GXTWGEPZSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205652064 1135225899 /nfs/dbraw/zinc/22/58/99/1135225899.db2.gz NVNGOSLGJDWOKT-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205652064 1135225903 /nfs/dbraw/zinc/22/59/03/1135225903.db2.gz NVNGOSLGJDWOKT-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912279 1135490277 /nfs/dbraw/zinc/49/02/77/1135490277.db2.gz YRDTXWPNOKQXKE-IFMALSPDSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912279 1135490281 /nfs/dbraw/zinc/49/02/81/1135490281.db2.gz YRDTXWPNOKQXKE-IFMALSPDSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912279 1135490286 /nfs/dbraw/zinc/49/02/86/1135490286.db2.gz YRDTXWPNOKQXKE-IFMALSPDSA-N 2 1 346.559 3.694 20 0 EHADMP C[C@H](c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1)C(F)(F)F ZINC001196789425 1135610649 /nfs/dbraw/zinc/61/06/49/1135610649.db2.gz KXSLJEZTDJBHFD-XYPHTWIQSA-N 2 1 326.406 3.736 20 0 EHADMP C[C@H](c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1)C(F)(F)F ZINC001196789425 1135610652 /nfs/dbraw/zinc/61/06/52/1135610652.db2.gz KXSLJEZTDJBHFD-XYPHTWIQSA-N 2 1 326.406 3.736 20 0 EHADMP C[C@H](c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1)C(F)(F)F ZINC001196789425 1135610658 /nfs/dbraw/zinc/61/06/58/1135610658.db2.gz KXSLJEZTDJBHFD-XYPHTWIQSA-N 2 1 326.406 3.736 20 0 EHADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCCC34CCOCC4)CC2)[nH+]c1C ZINC001197845095 1135740946 /nfs/dbraw/zinc/74/09/46/1135740946.db2.gz SFSQLJNXLQCFRM-SFHVURJKSA-N 2 1 331.504 3.803 20 0 EHADMP CCOc1cc(F)cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC001199038585 1135874812 /nfs/dbraw/zinc/87/48/12/1135874812.db2.gz SVLUSWREHVVFLQ-UHFFFAOYSA-N 2 1 330.447 3.836 20 0 EHADMP CCOc1cc(F)cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC001199038585 1135874816 /nfs/dbraw/zinc/87/48/16/1135874816.db2.gz SVLUSWREHVVFLQ-UHFFFAOYSA-N 2 1 330.447 3.836 20 0 EHADMP Cc1ccc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)[nH+]c1N ZINC001170586218 1135877534 /nfs/dbraw/zinc/87/75/34/1135877534.db2.gz RRVWPIQXQWXQIA-AWEZNQCLSA-N 2 1 339.270 3.994 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cncc(Br)c2)cc1 ZINC000809737118 1135882162 /nfs/dbraw/zinc/88/21/62/1135882162.db2.gz DQWMZOHWWGSJSF-UHFFFAOYSA-N 2 1 348.288 3.538 20 0 EHADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201544606 1136035426 /nfs/dbraw/zinc/03/54/26/1136035426.db2.gz QVJRQJMFSVOGMT-LJQANCHMSA-N 2 1 330.516 3.790 20 0 EHADMP CCC(CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201525855 1136037897 /nfs/dbraw/zinc/03/78/97/1136037897.db2.gz MGWKCXMESBSDFT-VXKWHMMOSA-N 2 1 348.575 3.883 20 0 EHADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201525855 1136037899 /nfs/dbraw/zinc/03/78/99/1136037899.db2.gz MGWKCXMESBSDFT-VXKWHMMOSA-N 2 1 348.575 3.883 20 0 EHADMP CCC(CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201525855 1136037903 /nfs/dbraw/zinc/03/79/03/1136037903.db2.gz MGWKCXMESBSDFT-VXKWHMMOSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)(C)CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001202072959 1136088753 /nfs/dbraw/zinc/08/87/53/1136088753.db2.gz GMKXDQQMYGOWEG-UNMCSNQZSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)(C)CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001202072959 1136088758 /nfs/dbraw/zinc/08/87/58/1136088758.db2.gz GMKXDQQMYGOWEG-UNMCSNQZSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)(C)CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001202072959 1136088761 /nfs/dbraw/zinc/08/87/61/1136088761.db2.gz GMKXDQQMYGOWEG-UNMCSNQZSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)(CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC001202241678 1136119104 /nfs/dbraw/zinc/11/91/04/1136119104.db2.gz GXUVHHITMNKMSK-HXUWFJFHSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)(C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC001202241678 1136119107 /nfs/dbraw/zinc/11/91/07/1136119107.db2.gz GXUVHHITMNKMSK-HXUWFJFHSA-N 2 1 343.559 3.751 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000850031869 1136200939 /nfs/dbraw/zinc/20/09/39/1136200939.db2.gz WXVKYVKSBHPEEP-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001170678201 1136215457 /nfs/dbraw/zinc/21/54/57/1136215457.db2.gz WSYRHAUYEMAKJN-IAGOWNOFSA-N 2 1 334.454 3.819 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001170678201 1136215462 /nfs/dbraw/zinc/21/54/62/1136215462.db2.gz WSYRHAUYEMAKJN-IAGOWNOFSA-N 2 1 334.454 3.819 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4SCCS4)[C@@H]3C2)cc1 ZINC000850562232 1136286350 /nfs/dbraw/zinc/28/63/50/1136286350.db2.gz YJRFQAWLXDLNLM-KSZLIROESA-N 2 1 348.581 3.683 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)CC1 ZINC000852007590 1136427243 /nfs/dbraw/zinc/42/72/43/1136427243.db2.gz OZJWQSLGJYZBCE-UHFFFAOYSA-N 2 1 342.405 3.735 20 0 EHADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2cnn(C)c2)c1 ZINC000338949644 1136472388 /nfs/dbraw/zinc/47/23/88/1136472388.db2.gz XDCZCIPGFBTWAK-FQEVSTJZSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2cnn(C)c2)c1 ZINC000338949644 1136472389 /nfs/dbraw/zinc/47/23/89/1136472389.db2.gz XDCZCIPGFBTWAK-FQEVSTJZSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2cnn(C)c2)c1 ZINC000338949644 1136472392 /nfs/dbraw/zinc/47/23/92/1136472392.db2.gz XDCZCIPGFBTWAK-FQEVSTJZSA-N 2 1 340.515 3.702 20 0 EHADMP Clc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000852754050 1136483456 /nfs/dbraw/zinc/48/34/56/1136483456.db2.gz NLYXYICRSFFRFA-AWEZNQCLSA-N 2 1 328.287 3.600 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)C=C1CC[NH2+]CC1)C1CCCCC1 ZINC000852853977 1136490841 /nfs/dbraw/zinc/49/08/41/1136490841.db2.gz AXLARDYPSJLDCO-UHFFFAOYSA-N 2 1 341.499 3.699 20 0 EHADMP CCCCCCc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854232891 1136600803 /nfs/dbraw/zinc/60/08/03/1136600803.db2.gz XFGAYNUWSZGRDK-OAHLLOKOSA-N 2 1 342.487 3.615 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000429533638 1136787786 /nfs/dbraw/zinc/78/77/86/1136787786.db2.gz HHANJAKVEFQVJC-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000429533638 1136787790 /nfs/dbraw/zinc/78/77/90/1136787790.db2.gz HHANJAKVEFQVJC-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCCCC3)C2)ccn1 ZINC000856551954 1136793871 /nfs/dbraw/zinc/79/38/71/1136793871.db2.gz DREJAZMUEGJODP-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCCCC3)C2)ccn1 ZINC000856551954 1136793873 /nfs/dbraw/zinc/79/38/73/1136793873.db2.gz DREJAZMUEGJODP-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCCCC3)C2)ccn1 ZINC000856551954 1136793875 /nfs/dbraw/zinc/79/38/75/1136793875.db2.gz DREJAZMUEGJODP-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1SC(F)F ZINC000818614716 1136886386 /nfs/dbraw/zinc/88/63/86/1136886386.db2.gz FHODMAGYCGSFNC-CYZMBNFOSA-N 2 1 330.444 3.930 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818959303 1136896015 /nfs/dbraw/zinc/89/60/15/1136896015.db2.gz HUBKONNIDLNECO-RDTXWAMCSA-N 2 1 342.886 3.757 20 0 EHADMP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819043105 1136901458 /nfs/dbraw/zinc/90/14/58/1136901458.db2.gz PJGPPFGTNWPFRL-KRWDZBQOSA-N 2 1 344.421 3.593 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000858152850 1136944354 /nfs/dbraw/zinc/94/43/54/1136944354.db2.gz BNKJDDZIULWMOD-VQIMIIECSA-N 2 1 327.447 3.611 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001170949851 1136997076 /nfs/dbraw/zinc/99/70/76/1136997076.db2.gz OZNBXZZVWTXGHE-QUCCMNQESA-N 2 1 338.470 3.795 20 0 EHADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213861 1137007802 /nfs/dbraw/zinc/00/78/02/1137007802.db2.gz KGRPYLOAYBANSX-QGZVFWFLSA-N 2 1 339.483 3.516 20 0 EHADMP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213861 1137007803 /nfs/dbraw/zinc/00/78/03/1137007803.db2.gz KGRPYLOAYBANSX-QGZVFWFLSA-N 2 1 339.483 3.516 20 0 EHADMP COCC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213076 1137007883 /nfs/dbraw/zinc/00/78/83/1137007883.db2.gz TWZFOVSFTWOVEA-OAQYLSRUSA-N 2 1 326.484 3.958 20 0 EHADMP C[N@H+](Cc1ccc2c(c1)COC2)C1CC[NH+](C2CCCCC2)CC1 ZINC001137030635 1137176213 /nfs/dbraw/zinc/17/62/13/1137176213.db2.gz FZMDEXUAEZMUPT-UHFFFAOYSA-N 2 1 328.500 3.946 20 0 EHADMP C[N@@H+](Cc1ccc2c(c1)COC2)C1CC[NH+](C2CCCCC2)CC1 ZINC001137030635 1137176215 /nfs/dbraw/zinc/17/62/15/1137176215.db2.gz FZMDEXUAEZMUPT-UHFFFAOYSA-N 2 1 328.500 3.946 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772904824 1137230944 /nfs/dbraw/zinc/23/09/44/1137230944.db2.gz RHCCUYMPHUQRSH-MGPUTAFESA-N 2 1 337.467 3.697 20 0 EHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1-c1ccccc1 ZINC000844926124 1137263329 /nfs/dbraw/zinc/26/33/29/1137263329.db2.gz WOQWDSDLRPNVKY-AWEZNQCLSA-N 2 1 338.430 3.629 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553449 1137269526 /nfs/dbraw/zinc/26/95/26/1137269526.db2.gz SIEOXHNQNPFMKD-CJNGLKHVSA-N 2 1 325.294 3.583 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171162303 1137274345 /nfs/dbraw/zinc/27/43/45/1137274345.db2.gz PFYZAVPWIDPVGS-VNQPRFMTSA-N 2 1 339.310 3.734 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C3([C@@H]4CCCCO4)CCC3)CC2)cc1 ZINC000865856319 1137316943 /nfs/dbraw/zinc/31/69/43/1137316943.db2.gz GIQFXZIYECJKLM-NRFANRHFSA-N 2 1 342.527 3.775 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257053 1137340152 /nfs/dbraw/zinc/34/01/52/1137340152.db2.gz FBOODCIYLCSUMZ-IRLDBZIGSA-N 2 1 337.511 3.933 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257053 1137340154 /nfs/dbraw/zinc/34/01/54/1137340154.db2.gz FBOODCIYLCSUMZ-IRLDBZIGSA-N 2 1 337.511 3.933 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1F ZINC000866343178 1137347628 /nfs/dbraw/zinc/34/76/28/1137347628.db2.gz XUPVYVZONDSGNI-FQEVSTJZSA-N 2 1 341.405 3.814 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCCC3)CC2)n1 ZINC000866562195 1137364629 /nfs/dbraw/zinc/36/46/29/1137364629.db2.gz PLMMIZXELPIZON-FAFZWHIHSA-N 2 1 346.519 3.791 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCCC3)CC2)n1 ZINC000866562195 1137364630 /nfs/dbraw/zinc/36/46/30/1137364630.db2.gz PLMMIZXELPIZON-FAFZWHIHSA-N 2 1 346.519 3.791 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712501004 1137468391 /nfs/dbraw/zinc/46/83/91/1137468391.db2.gz FNMZEKBVJRVDPI-SXLOBPIMSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1 ZINC000716709225 1137488749 /nfs/dbraw/zinc/48/87/49/1137488749.db2.gz RRSCHRCGKOIWHZ-NNWRFLSQSA-N 2 1 335.495 3.575 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171472759 1137493131 /nfs/dbraw/zinc/49/31/31/1137493131.db2.gz QUNYRKCPEOQTAK-BZSNNMDCSA-N 2 1 334.454 3.804 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCc3c(C)cccc3C2)[nH+]1 ZINC001171579440 1137499204 /nfs/dbraw/zinc/49/92/04/1137499204.db2.gz PBXJVBNERAKTHS-FQEVSTJZSA-N 2 1 335.495 3.814 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1(C)C ZINC001171626341 1137501242 /nfs/dbraw/zinc/50/12/42/1137501242.db2.gz ZGYHJIAYEVIEFB-UHFFFAOYSA-N 3 1 335.580 3.882 20 0 EHADMP C[C@@H]1C[C@H](N2CCCC[C@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754587 1137508530 /nfs/dbraw/zinc/50/85/30/1137508530.db2.gz GMGKXNDYVZPZQF-HJNYFJLDSA-N 2 1 341.543 3.600 20 0 EHADMP CCCCCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764764 1137509153 /nfs/dbraw/zinc/50/91/53/1137509153.db2.gz UVMSUYYNCPQDJA-IFMALSPDSA-N 2 1 343.559 3.847 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738187 1137510807 /nfs/dbraw/zinc/51/08/07/1137510807.db2.gz GTUCZOHCRMQGDA-WIYYLYMNSA-N 2 1 343.559 3.750 20 0 EHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807991 1137513737 /nfs/dbraw/zinc/51/37/37/1137513737.db2.gz WWGAKUYACKNBPZ-QUCCMNQESA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807991 1137513738 /nfs/dbraw/zinc/51/37/38/1137513738.db2.gz WWGAKUYACKNBPZ-QUCCMNQESA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807991 1137513740 /nfs/dbraw/zinc/51/37/40/1137513740.db2.gz WWGAKUYACKNBPZ-QUCCMNQESA-N 2 1 338.470 3.747 20 0 EHADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171963636 1137520058 /nfs/dbraw/zinc/52/00/58/1137520058.db2.gz IJQFVBWTWBZGJS-FQEVSTJZSA-N 2 1 340.515 3.533 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC001171963553 1137520162 /nfs/dbraw/zinc/52/01/62/1137520162.db2.gz IBICUXZNQURGOC-QGZVFWFLSA-N 2 1 329.513 3.984 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC001171963553 1137520164 /nfs/dbraw/zinc/52/01/64/1137520164.db2.gz IBICUXZNQURGOC-QGZVFWFLSA-N 2 1 329.513 3.984 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171975477 1137524912 /nfs/dbraw/zinc/52/49/12/1137524912.db2.gz DEYZKEKYNVKUTB-SYYKKAFVSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171975477 1137524913 /nfs/dbraw/zinc/52/49/13/1137524913.db2.gz DEYZKEKYNVKUTB-SYYKKAFVSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171975477 1137524915 /nfs/dbraw/zinc/52/49/15/1137524915.db2.gz DEYZKEKYNVKUTB-SYYKKAFVSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976051 1137525111 /nfs/dbraw/zinc/52/51/11/1137525111.db2.gz OXMAQZUAVIMIFG-ZCNNSNEGSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977484 1137525747 /nfs/dbraw/zinc/52/57/47/1137525747.db2.gz BJZAQZPUUGFOHS-LEWJYISDSA-N 2 1 344.543 3.960 20 0 EHADMP CCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)OCCO1 ZINC001171977709 1137525897 /nfs/dbraw/zinc/52/58/97/1137525897.db2.gz UCKRZIBZMCJWGK-IBGZPJMESA-N 2 1 346.515 3.562 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988452 1137527773 /nfs/dbraw/zinc/52/77/73/1137527773.db2.gz RPVJZEUVMDTAFT-WOJBJXKFSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988452 1137527774 /nfs/dbraw/zinc/52/77/74/1137527774.db2.gz RPVJZEUVMDTAFT-WOJBJXKFSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988452 1137527776 /nfs/dbraw/zinc/52/77/76/1137527776.db2.gz RPVJZEUVMDTAFT-WOJBJXKFSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](C)[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074281 1137529714 /nfs/dbraw/zinc/52/97/14/1137529714.db2.gz GXGRJBZLPOROFR-MBDNFAEBSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072348 1137529786 /nfs/dbraw/zinc/52/97/86/1137529786.db2.gz LFQQQJIFRDFEAN-DVWBAYGPSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072348 1137529788 /nfs/dbraw/zinc/52/97/88/1137529788.db2.gz LFQQQJIFRDFEAN-DVWBAYGPSA-N 2 1 338.499 3.656 20 0 EHADMP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063620 1137533265 /nfs/dbraw/zinc/53/32/65/1137533265.db2.gz AIDURJUQTVHZKV-MXEMCNAFSA-N 2 1 330.516 3.569 20 0 EHADMP Fc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172066699 1137533659 /nfs/dbraw/zinc/53/36/59/1137533659.db2.gz MSSKOLDVVIQHDQ-ACDBMABISA-N 2 1 339.458 3.896 20 0 EHADMP Fc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172066699 1137533661 /nfs/dbraw/zinc/53/36/61/1137533661.db2.gz MSSKOLDVVIQHDQ-ACDBMABISA-N 2 1 339.458 3.896 20 0 EHADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066163 1137533762 /nfs/dbraw/zinc/53/37/62/1137533762.db2.gz UJDZODOBPJOEIM-WVCBVJLLSA-N 2 1 342.527 3.713 20 0 EHADMP Cc1ccc([C@]2(C)C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001172128538 1137535423 /nfs/dbraw/zinc/53/54/23/1137535423.db2.gz SCRTVBJIKNOMMW-BQJUDKOJSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@]2(C)C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001172128538 1137535424 /nfs/dbraw/zinc/53/54/24/1137535424.db2.gz SCRTVBJIKNOMMW-BQJUDKOJSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@]2(C)C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128538 1137535426 /nfs/dbraw/zinc/53/54/26/1137535426.db2.gz SCRTVBJIKNOMMW-BQJUDKOJSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@]2(C)C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128538 1137535428 /nfs/dbraw/zinc/53/54/28/1137535428.db2.gz SCRTVBJIKNOMMW-BQJUDKOJSA-N 2 1 328.500 3.558 20 0 EHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172133269 1137535913 /nfs/dbraw/zinc/53/59/13/1137535913.db2.gz QSUXAWOSTXXSJC-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172133269 1137535914 /nfs/dbraw/zinc/53/59/14/1137535914.db2.gz QSUXAWOSTXXSJC-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COc1cccc([C@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172132008 1137535999 /nfs/dbraw/zinc/53/59/99/1137535999.db2.gz IVJQRMZDKUUSBO-AJYBTWMASA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172132008 1137536000 /nfs/dbraw/zinc/53/60/00/1137536000.db2.gz IVJQRMZDKUUSBO-AJYBTWMASA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172132008 1137536002 /nfs/dbraw/zinc/53/60/02/1137536002.db2.gz IVJQRMZDKUUSBO-AJYBTWMASA-N 2 1 346.540 3.800 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112967 1137537452 /nfs/dbraw/zinc/53/74/52/1137537452.db2.gz HEHLHXKRDUXSJP-IIZPIQPGSA-N 2 1 335.495 3.908 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112967 1137537454 /nfs/dbraw/zinc/53/74/54/1137537454.db2.gz HEHLHXKRDUXSJP-IIZPIQPGSA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112967 1137537456 /nfs/dbraw/zinc/53/74/56/1137537456.db2.gz HEHLHXKRDUXSJP-IIZPIQPGSA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112967 1137537458 /nfs/dbraw/zinc/53/74/58/1137537458.db2.gz HEHLHXKRDUXSJP-IIZPIQPGSA-N 2 1 335.495 3.908 20 0 EHADMP C[N@@H+](Cc1cccc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120320 1137538552 /nfs/dbraw/zinc/53/85/52/1137538552.db2.gz JQHZKJJSCMXDMS-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1cccc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120320 1137538554 /nfs/dbraw/zinc/53/85/54/1137538554.db2.gz JQHZKJJSCMXDMS-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1cccc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120320 1137538556 /nfs/dbraw/zinc/53/85/56/1137538556.db2.gz JQHZKJJSCMXDMS-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]21 ZINC001172240497 1137544163 /nfs/dbraw/zinc/54/41/63/1137544163.db2.gz LFIVRBMSEKXRRV-QFBRVBKVSA-N 2 1 338.495 3.583 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]21 ZINC001172240497 1137544165 /nfs/dbraw/zinc/54/41/65/1137544165.db2.gz LFIVRBMSEKXRRV-QFBRVBKVSA-N 2 1 338.495 3.583 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]21 ZINC001172240497 1137544167 /nfs/dbraw/zinc/54/41/67/1137544167.db2.gz LFIVRBMSEKXRRV-QFBRVBKVSA-N 2 1 338.495 3.583 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(F)c(F)c1 ZINC001172249096 1137544970 /nfs/dbraw/zinc/54/49/70/1137544970.db2.gz HOMASFXWZMVOGY-GOSISDBHSA-N 2 1 326.431 3.506 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[C@H]1C ZINC001172363594 1137554899 /nfs/dbraw/zinc/55/48/99/1137554899.db2.gz LUTSWLSHFLIHKZ-LFGUQSLTSA-N 2 1 346.515 3.642 20 0 EHADMP CCOCC[C@H](C)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001172421698 1137556480 /nfs/dbraw/zinc/55/64/80/1137556480.db2.gz ZAKVFJIFTHYLLF-YFWVXDPYSA-N 2 1 330.516 3.930 20 0 EHADMP COc1ccc(C(C)C)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784711 1137558029 /nfs/dbraw/zinc/55/80/29/1137558029.db2.gz JANATMLSIKFUHB-ZNXRZULTSA-N 2 1 345.487 3.690 20 0 EHADMP COc1ccc(C(C)C)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784711 1137558030 /nfs/dbraw/zinc/55/80/30/1137558030.db2.gz JANATMLSIKFUHB-ZNXRZULTSA-N 2 1 345.487 3.690 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000872080614 1137570177 /nfs/dbraw/zinc/57/01/77/1137570177.db2.gz AXRSMWJRJIUNKE-ZRNYENFQSA-N 2 1 330.516 3.515 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000872080611 1137570197 /nfs/dbraw/zinc/57/01/97/1137570197.db2.gz AXRSMWJRJIUNKE-FUMNGEBKSA-N 2 1 330.516 3.515 20 0 EHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155406 1137574112 /nfs/dbraw/zinc/57/41/12/1137574112.db2.gz RCTLBSMMSREMKG-INIZCTEOSA-N 2 1 327.472 3.618 20 0 EHADMP CCC[C@H](C)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872174541 1137575259 /nfs/dbraw/zinc/57/52/59/1137575259.db2.gz BARCGXRTQBEMBQ-INIZCTEOSA-N 2 1 342.487 3.509 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1C(F)(F)F ZINC000873227703 1137594429 /nfs/dbraw/zinc/59/44/29/1137594429.db2.gz MRRHGXCBMSRVMJ-HOCLYGCPSA-N 2 1 340.414 3.984 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1C(F)(F)F ZINC000873227703 1137594430 /nfs/dbraw/zinc/59/44/30/1137594430.db2.gz MRRHGXCBMSRVMJ-HOCLYGCPSA-N 2 1 340.414 3.984 20 0 EHADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(N2CCCC2)o1 ZINC001137069792 1137595707 /nfs/dbraw/zinc/59/57/07/1137595707.db2.gz NLMOIYMXTAQBIQ-ZWKOTPCHSA-N 2 1 331.504 3.719 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(N2CCCC2)o1 ZINC001137069792 1137595708 /nfs/dbraw/zinc/59/57/08/1137595708.db2.gz NLMOIYMXTAQBIQ-ZWKOTPCHSA-N 2 1 331.504 3.719 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)o1 ZINC001137069792 1137595709 /nfs/dbraw/zinc/59/57/09/1137595709.db2.gz NLMOIYMXTAQBIQ-ZWKOTPCHSA-N 2 1 331.504 3.719 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)o1 ZINC001137069792 1137595710 /nfs/dbraw/zinc/59/57/10/1137595710.db2.gz NLMOIYMXTAQBIQ-ZWKOTPCHSA-N 2 1 331.504 3.719 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2-n2cccn2)CC1 ZINC001137102420 1137646663 /nfs/dbraw/zinc/64/66/63/1137646663.db2.gz UXBRSLRJSUAGSR-UHFFFAOYSA-N 2 1 326.488 3.569 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762906 1137660654 /nfs/dbraw/zinc/66/06/54/1137660654.db2.gz BMQGFEQSSUFANP-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762906 1137660655 /nfs/dbraw/zinc/66/06/55/1137660655.db2.gz BMQGFEQSSUFANP-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762906 1137660656 /nfs/dbraw/zinc/66/06/56/1137660656.db2.gz BMQGFEQSSUFANP-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762906 1137660657 /nfs/dbraw/zinc/66/06/57/1137660657.db2.gz BMQGFEQSSUFANP-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762906 1137660658 /nfs/dbraw/zinc/66/06/58/1137660658.db2.gz BMQGFEQSSUFANP-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762906 1137660659 /nfs/dbraw/zinc/66/06/59/1137660659.db2.gz BMQGFEQSSUFANP-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP COCC1(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCC1 ZINC000876867552 1137664227 /nfs/dbraw/zinc/66/42/27/1137664227.db2.gz ZJRFYSSVFDMNTJ-UHFFFAOYSA-N 2 1 345.531 3.693 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000877115305 1137670370 /nfs/dbraw/zinc/67/03/70/1137670370.db2.gz LZPYSAHUPLWKAA-HOIFWPIMSA-N 2 1 332.469 3.667 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638434 1137683887 /nfs/dbraw/zinc/68/38/87/1137683887.db2.gz GSNKLXMFQILSOL-NVXWUHKLSA-N 2 1 334.554 3.750 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638434 1137683888 /nfs/dbraw/zinc/68/38/88/1137683888.db2.gz GSNKLXMFQILSOL-NVXWUHKLSA-N 2 1 334.554 3.750 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1)CC1CC1 ZINC000878341168 1137711434 /nfs/dbraw/zinc/71/14/34/1137711434.db2.gz YOIVEQPPBKUBOR-UHFFFAOYSA-N 2 1 345.531 3.887 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1)CC1CC1 ZINC000878341168 1137711435 /nfs/dbraw/zinc/71/14/35/1137711435.db2.gz YOIVEQPPBKUBOR-UHFFFAOYSA-N 2 1 345.531 3.887 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878446385 1137716278 /nfs/dbraw/zinc/71/62/78/1137716278.db2.gz FSYBFGWUEYJINO-ULQDDVLXSA-N 2 1 332.479 3.539 20 0 EHADMP CC(C)C[N@H+](Cc1cncc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000879703376 1137755798 /nfs/dbraw/zinc/75/57/98/1137755798.db2.gz KAPSFIBYRLUKJJ-UHFFFAOYSA-N 2 1 343.437 3.900 20 0 EHADMP Cc1ccc2c(C[N@@H+](C)CCCC[NH+]3CCCCC3)cc(=O)oc2c1 ZINC000880517792 1137780408 /nfs/dbraw/zinc/78/04/08/1137780408.db2.gz XCNGHYUWEADZCC-UHFFFAOYSA-N 2 1 342.483 3.799 20 0 EHADMP Cc1nc(C[N@H+](C)CCCC[NH+]2CCCCC2)nc2ccccc12 ZINC000880517917 1137780543 /nfs/dbraw/zinc/78/05/43/1137780543.db2.gz ZAONPJQRUQCQHX-UHFFFAOYSA-N 2 1 326.488 3.636 20 0 EHADMP Cc1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nc2ccccc12 ZINC000880517917 1137780544 /nfs/dbraw/zinc/78/05/44/1137780544.db2.gz ZAONPJQRUQCQHX-UHFFFAOYSA-N 2 1 326.488 3.636 20 0 EHADMP COC[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134213 1137791057 /nfs/dbraw/zinc/79/10/57/1137791057.db2.gz CMDJOCKRUZURCE-UTKZUKDTSA-N 2 1 341.499 3.996 20 0 EHADMP COC[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134213 1137791058 /nfs/dbraw/zinc/79/10/58/1137791058.db2.gz CMDJOCKRUZURCE-UTKZUKDTSA-N 2 1 341.499 3.996 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)c1 ZINC001137173383 1137820208 /nfs/dbraw/zinc/82/02/08/1137820208.db2.gz SWRHDWUKEXWIRK-RTBURBONSA-N 2 1 349.503 3.860 20 0 EHADMP c1ccc(C[NH+]2CCC3(CCC[N@H+](CC4CCOCC4)C3)CC2)cc1 ZINC001202598601 1137882581 /nfs/dbraw/zinc/88/25/81/1137882581.db2.gz NGBPLQKZSCLDFE-UHFFFAOYSA-N 2 1 342.527 3.791 20 0 EHADMP C[N@H+](CCCCCn1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481316 1137917485 /nfs/dbraw/zinc/91/74/85/1137917485.db2.gz YKSWSZOBIWFHEH-UHFFFAOYSA-N 2 1 340.515 3.650 20 0 EHADMP C[N@@H+](CCCCCn1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481316 1137917486 /nfs/dbraw/zinc/91/74/86/1137917486.db2.gz YKSWSZOBIWFHEH-UHFFFAOYSA-N 2 1 340.515 3.650 20 0 EHADMP C[NH+](C)Cc1cnc(CNc2ccc(C[NH+](C)C)c(Cl)c2)s1 ZINC000348359273 1138030904 /nfs/dbraw/zinc/03/09/04/1138030904.db2.gz SESRHWPBHJTLOV-UHFFFAOYSA-N 2 1 338.908 3.532 20 0 EHADMP FC(F)COc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000886166556 1138054992 /nfs/dbraw/zinc/05/49/92/1138054992.db2.gz LCUUUMPOGDPBLC-INIZCTEOSA-N 2 1 338.442 3.542 20 0 EHADMP FC(F)COc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000886166556 1138054994 /nfs/dbraw/zinc/05/49/94/1138054994.db2.gz LCUUUMPOGDPBLC-INIZCTEOSA-N 2 1 338.442 3.542 20 0 EHADMP Cc1ccc2nc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000886535083 1138092201 /nfs/dbraw/zinc/09/22/01/1138092201.db2.gz UOYVFXSZKHUNNR-UHFFFAOYSA-N 2 1 326.488 3.758 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)[nH+]c1C ZINC000886661300 1138110277 /nfs/dbraw/zinc/11/02/77/1138110277.db2.gz QZRDRXNBFSXCEQ-UHFFFAOYSA-N 2 1 338.377 3.820 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CC4(CCC4)CO2)C3)cc1 ZINC000886701242 1138118790 /nfs/dbraw/zinc/11/87/90/1138118790.db2.gz MUCPKZWRXHNBNC-BURNTYAHSA-N 2 1 340.511 3.731 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000886714784 1138123996 /nfs/dbraw/zinc/12/39/96/1138123996.db2.gz VABDFEXWCJPKBD-UHFFFAOYSA-N 2 1 349.906 3.619 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1-c1ccccc1 ZINC000090400063 1138210500 /nfs/dbraw/zinc/21/05/00/1138210500.db2.gz QHJIMPZHOBDYAM-RLFYNMQTSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091321024 1138218525 /nfs/dbraw/zinc/21/85/25/1138218525.db2.gz KDWVXCIVXJJWRW-CHWSQXEVSA-N 2 1 345.878 3.719 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000123202115 1138267532 /nfs/dbraw/zinc/26/75/32/1138267532.db2.gz UYJLNZFGJQWNNT-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000717618883 1138275737 /nfs/dbraw/zinc/27/57/37/1138275737.db2.gz MZABHAIVTYFECN-UHFFFAOYSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)cc(Br)cc2F)C1 ZINC001202760435 1138316593 /nfs/dbraw/zinc/31/65/93/1138316593.db2.gz RUUZSUUHXIQHTL-NSHDSACASA-N 2 1 347.247 3.549 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1c(Cl)cnn1C ZINC000130507807 1138459029 /nfs/dbraw/zinc/45/90/29/1138459029.db2.gz SFTJZZDEUQEVMH-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337453696 1138573875 /nfs/dbraw/zinc/57/38/75/1138573875.db2.gz VOMKGTSKUQZWKG-KRWDZBQOSA-N 2 1 347.503 3.522 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000133152739 1138623351 /nfs/dbraw/zinc/62/33/51/1138623351.db2.gz DNOPYPLWLWBROI-HZPDHXFCSA-N 2 1 328.456 3.584 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccncc1F ZINC000338008625 1138722414 /nfs/dbraw/zinc/72/24/14/1138722414.db2.gz DCSJPUNEJAPJKR-ICSUOEFDSA-N 2 1 339.458 3.782 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccncc1F ZINC000338008625 1138722417 /nfs/dbraw/zinc/72/24/17/1138722417.db2.gz DCSJPUNEJAPJKR-ICSUOEFDSA-N 2 1 339.458 3.782 20 0 EHADMP COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000338273762 1138810482 /nfs/dbraw/zinc/81/04/82/1138810482.db2.gz HBVWTHSOZYUFMT-QGZVFWFLSA-N 2 1 331.504 3.567 20 0 EHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1)CC1CC1 ZINC000338284929 1138816472 /nfs/dbraw/zinc/81/64/72/1138816472.db2.gz UELSSAXKWCNWNA-CQSZACIVSA-N 2 1 336.549 3.742 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1)CC1CC1 ZINC000338284929 1138816479 /nfs/dbraw/zinc/81/64/79/1138816479.db2.gz UELSSAXKWCNWNA-CQSZACIVSA-N 2 1 336.549 3.742 20 0 EHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCF)CC1 ZINC000136942228 1138824400 /nfs/dbraw/zinc/82/44/00/1138824400.db2.gz KPSAFOORSZJHOA-UHFFFAOYSA-N 2 1 332.385 3.961 20 0 EHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCF)CC1 ZINC000136942228 1138824407 /nfs/dbraw/zinc/82/44/07/1138824407.db2.gz KPSAFOORSZJHOA-UHFFFAOYSA-N 2 1 332.385 3.961 20 0 EHADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368929 1138862976 /nfs/dbraw/zinc/86/29/76/1138862976.db2.gz OHYBVILZJGOXBE-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368929 1138862981 /nfs/dbraw/zinc/86/29/81/1138862981.db2.gz OHYBVILZJGOXBE-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368929 1138862987 /nfs/dbraw/zinc/86/29/87/1138862987.db2.gz OHYBVILZJGOXBE-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368929 1138862994 /nfs/dbraw/zinc/86/29/94/1138862994.db2.gz OHYBVILZJGOXBE-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368929 1138863001 /nfs/dbraw/zinc/86/30/01/1138863001.db2.gz OHYBVILZJGOXBE-FUHWJXTLSA-N 2 1 337.458 3.661 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388341 1139088204 /nfs/dbraw/zinc/08/82/04/1139088204.db2.gz DUDLHODVNHBMSK-STQMWFEESA-N 2 1 328.378 3.720 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388341 1139088211 /nfs/dbraw/zinc/08/82/11/1139088211.db2.gz DUDLHODVNHBMSK-STQMWFEESA-N 2 1 328.378 3.720 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000152477649 1139093011 /nfs/dbraw/zinc/09/30/11/1139093011.db2.gz IHSHBTWITHBMIP-CHWSQXEVSA-N 2 1 328.378 3.720 20 0 EHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1ccc(CO)o1)C1CCCCC1 ZINC000174295865 1139412521 /nfs/dbraw/zinc/41/25/21/1139412521.db2.gz HLMSRGFTLFZIAM-UHFFFAOYSA-N 2 1 342.483 3.826 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178391954 1139691207 /nfs/dbraw/zinc/69/12/07/1139691207.db2.gz GCROXUIFIPPPTG-AWEZNQCLSA-N 2 1 341.318 3.670 20 0 EHADMP Cc1noc(C)c1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000178439315 1139695470 /nfs/dbraw/zinc/69/54/70/1139695470.db2.gz BVTMDHMHYIMTHS-HUUCEWRRSA-N 2 1 327.472 3.538 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000178706859 1139713493 /nfs/dbraw/zinc/71/34/93/1139713493.db2.gz UYDOOLKXFJFZIV-VXGBXAGGSA-N 2 1 341.377 3.919 20 0 EHADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@H]1O ZINC000180155406 1139813383 /nfs/dbraw/zinc/81/33/83/1139813383.db2.gz NYNZXPZNPWWMNY-DSBNJHONSA-N 2 1 342.527 3.713 20 0 EHADMP CC(C)(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180166146 1139815570 /nfs/dbraw/zinc/81/55/70/1139815570.db2.gz RASIEVMKHRYNBQ-YGFFAISXSA-N 2 1 330.516 3.569 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183238050 1140022938 /nfs/dbraw/zinc/02/29/38/1140022938.db2.gz ITRYZTOMMIDOOI-LJQANCHMSA-N 2 1 326.488 3.503 20 0 EHADMP C=Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000194217964 1140602093 /nfs/dbraw/zinc/60/20/93/1140602093.db2.gz FJUPSVGYHVLDFK-HDICACEKSA-N 2 1 338.499 3.751 20 0 EHADMP C=Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000194217964 1140602097 /nfs/dbraw/zinc/60/20/97/1140602097.db2.gz FJUPSVGYHVLDFK-HDICACEKSA-N 2 1 338.499 3.751 20 0 EHADMP Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c(C[NH+](C)C)c1 ZINC000267196749 1140766745 /nfs/dbraw/zinc/76/67/45/1140766745.db2.gz DIYLVDOHYPRRTK-QGZVFWFLSA-N 2 1 343.515 3.650 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771971 1140987915 /nfs/dbraw/zinc/98/79/15/1140987915.db2.gz FIHLTWSQMQWHSJ-VLCRHTCISA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771971 1140987919 /nfs/dbraw/zinc/98/79/19/1140987919.db2.gz FIHLTWSQMQWHSJ-VLCRHTCISA-N 2 1 338.495 3.671 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1SC(F)F ZINC000268792950 1140994022 /nfs/dbraw/zinc/99/40/22/1140994022.db2.gz GWTCZUAKANYHKK-NSHDSACASA-N 2 1 341.427 3.866 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OCC ZINC000268856999 1141009309 /nfs/dbraw/zinc/00/93/09/1141009309.db2.gz LRAMVWYZRJXBRB-HNNXBMFYSA-N 2 1 331.460 3.730 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1SC ZINC000268863487 1141011390 /nfs/dbraw/zinc/01/13/90/1141011390.db2.gz NDEYGLBMKVQEEQ-CQSZACIVSA-N 2 1 334.529 3.942 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013688 /nfs/dbraw/zinc/01/36/88/1141013688.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013696 /nfs/dbraw/zinc/01/36/96/1141013696.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013705 /nfs/dbraw/zinc/01/37/05/1141013705.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013712 /nfs/dbraw/zinc/01/37/12/1141013712.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013719 /nfs/dbraw/zinc/01/37/19/1141013719.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013727 /nfs/dbraw/zinc/01/37/27/1141013727.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013734 /nfs/dbraw/zinc/01/37/34/1141013734.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013739 /nfs/dbraw/zinc/01/37/39/1141013739.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268869469 1141013745 /nfs/dbraw/zinc/01/37/45/1141013745.db2.gz JVJWTQPYKMBHOI-NNWRFLSQSA-N 3 1 343.559 3.750 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268933814 1141030314 /nfs/dbraw/zinc/03/03/14/1141030314.db2.gz RJTSPMWJJPGWNW-CZTZKLFOSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268933814 1141030319 /nfs/dbraw/zinc/03/03/19/1141030319.db2.gz RJTSPMWJJPGWNW-CZTZKLFOSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1 ZINC000268944985 1141031610 /nfs/dbraw/zinc/03/16/10/1141031610.db2.gz BADSJFVJNXEWJJ-DYESRHJHSA-N 2 1 349.478 3.998 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269008101 1141045319 /nfs/dbraw/zinc/04/53/19/1141045319.db2.gz WOYSMLSRTLCQCK-ICSRJNTNSA-N 2 1 332.532 3.675 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000269027981 1141049846 /nfs/dbraw/zinc/04/98/46/1141049846.db2.gz SLLCMROXLNNVLW-LPHOPBHVSA-N 2 1 343.902 3.920 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000269027981 1141049853 /nfs/dbraw/zinc/04/98/53/1141049853.db2.gz SLLCMROXLNNVLW-LPHOPBHVSA-N 2 1 343.902 3.920 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000269862051 1141152353 /nfs/dbraw/zinc/15/23/53/1141152353.db2.gz JMKUTERICIDESR-UHFFFAOYSA-N 2 1 349.862 3.528 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000269862051 1141152357 /nfs/dbraw/zinc/15/23/57/1141152357.db2.gz JMKUTERICIDESR-UHFFFAOYSA-N 2 1 349.862 3.528 20 0 EHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000270676824 1141254921 /nfs/dbraw/zinc/25/49/21/1141254921.db2.gz TWJWPCWEGZRNCS-UHFFFAOYSA-N 2 1 337.471 3.516 20 0 EHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270676824 1141254928 /nfs/dbraw/zinc/25/49/28/1141254928.db2.gz TWJWPCWEGZRNCS-UHFFFAOYSA-N 2 1 337.471 3.516 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271523679 1141388108 /nfs/dbraw/zinc/38/81/08/1141388108.db2.gz VHXRIWVPKILSKF-BFYDXBDKSA-N 2 1 344.421 3.597 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271523679 1141388114 /nfs/dbraw/zinc/38/81/14/1141388114.db2.gz VHXRIWVPKILSKF-BFYDXBDKSA-N 2 1 344.421 3.597 20 0 EHADMP Fc1cccc(CCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000348758006 1141576165 /nfs/dbraw/zinc/57/61/65/1141576165.db2.gz ZXVPQUONFYQHSZ-OAQYLSRUSA-N 2 1 341.474 3.798 20 0 EHADMP CC[N@@H+](Cc1c(C)nc2ccccn21)Cc1ccc(C[NH+](C)C)cc1 ZINC000348970862 1141617413 /nfs/dbraw/zinc/61/74/13/1141617413.db2.gz XIZLGXHODDJPPG-UHFFFAOYSA-N 2 1 336.483 3.726 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)ncn2C ZINC000349002329 1141620948 /nfs/dbraw/zinc/62/09/48/1141620948.db2.gz IQBYRRTZSZROJJ-UHFFFAOYSA-N 2 1 336.483 3.657 20 0 EHADMP Cn1ccc2c1cc[nH+]c2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621028 719066960 /nfs/dbraw/zinc/06/69/60/719066960.db2.gz GJDRGJWHRRIVGG-WIYYLYMNSA-N 2 1 346.478 3.674 20 0 EHADMP Cc1[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc2[nH]ccc21 ZINC001164627977 719093042 /nfs/dbraw/zinc/09/30/42/719093042.db2.gz LNRSFIBQAQCMAN-WIYYLYMNSA-N 2 1 346.478 3.972 20 0 EHADMP CC[NH+](CC)C1CCN(c2cc(C)c3ccc(OC)cc3[nH+]2)CC1 ZINC001165053361 722003851 /nfs/dbraw/zinc/00/38/51/722003851.db2.gz OQRWRYGWMZLOBI-UHFFFAOYSA-N 2 1 327.472 3.862 20 0 EHADMP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC001168358283 1032058396 /nfs/dbraw/zinc/05/83/96/1032058396.db2.gz PLSDTQGAUSKSFS-UHFFFAOYSA-N 2 1 326.406 3.978 20 0 EHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000904459798 1032063037 /nfs/dbraw/zinc/06/30/37/1032063037.db2.gz XEKREILLFCJWHS-UHFFFAOYSA-N 2 1 346.478 3.569 20 0 EHADMP Fc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904472341 1032069423 /nfs/dbraw/zinc/06/94/23/1032069423.db2.gz FHLOWHDLBFAQHO-PKOBYXMFSA-N 2 1 346.833 3.825 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153415702 1125484391 /nfs/dbraw/zinc/48/43/91/1125484391.db2.gz BPSLQXDMJCCRSN-INDMIFKZSA-N 2 1 349.588 3.839 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153415702 1125484393 /nfs/dbraw/zinc/48/43/93/1125484393.db2.gz BPSLQXDMJCCRSN-INDMIFKZSA-N 2 1 349.588 3.839 20 0 EHADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000537973346 1032075256 /nfs/dbraw/zinc/07/52/56/1032075256.db2.gz HCUKFMJGYTVELZ-UGKGYDQZSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000537973346 1032075267 /nfs/dbraw/zinc/07/52/67/1032075267.db2.gz HCUKFMJGYTVELZ-UGKGYDQZSA-N 2 1 338.495 3.874 20 0 EHADMP CO[C@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000339407506 1014368591 /nfs/dbraw/zinc/36/85/91/1014368591.db2.gz ODSZIUYICJXACI-GJZGRUSLSA-N 2 1 345.314 3.754 20 0 EHADMP CO[C@H]1CC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000339407506 1014368606 /nfs/dbraw/zinc/36/86/06/1014368606.db2.gz ODSZIUYICJXACI-GJZGRUSLSA-N 2 1 345.314 3.754 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000320100543 1014446788 /nfs/dbraw/zinc/44/67/88/1014446788.db2.gz MDDOIKFVDNCUBH-ZHALLVOQSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000320100543 1014446793 /nfs/dbraw/zinc/44/67/93/1014446793.db2.gz MDDOIKFVDNCUBH-ZHALLVOQSA-N 2 1 346.515 3.607 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)c1O ZINC000459424852 1032106716 /nfs/dbraw/zinc/10/67/16/1032106716.db2.gz JXIACWIJHUGDIB-AWEZNQCLSA-N 2 1 340.895 3.654 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(Cl)c1O ZINC000459424852 1032106722 /nfs/dbraw/zinc/10/67/22/1032106722.db2.gz JXIACWIJHUGDIB-AWEZNQCLSA-N 2 1 340.895 3.654 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000274761691 1014980566 /nfs/dbraw/zinc/98/05/66/1014980566.db2.gz KDZIOOSBIHZTFY-ZJOUEHCJSA-N 2 1 344.543 3.675 20 0 EHADMP COc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449064579 1032111003 /nfs/dbraw/zinc/11/10/03/1032111003.db2.gz VCOJXSXOEFXVFO-SFHVURJKSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cs1 ZINC000226393040 1120093010 /nfs/dbraw/zinc/09/30/10/1120093010.db2.gz XMRUEEDZPYQLKG-WCFLWFBJSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cs1 ZINC000226393040 1120093014 /nfs/dbraw/zinc/09/30/14/1120093014.db2.gz XMRUEEDZPYQLKG-WCFLWFBJSA-N 2 1 329.307 3.788 20 0 EHADMP CCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000274894728 1015592987 /nfs/dbraw/zinc/59/29/87/1015592987.db2.gz JZRBIIVHYOBGEF-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278722520 1032134569 /nfs/dbraw/zinc/13/45/69/1032134569.db2.gz MHXHEXPHKORASN-RXRQOCSWSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278722525 1032134602 /nfs/dbraw/zinc/13/46/02/1032134602.db2.gz MHXHEXPHKORASN-WQIFRTTPSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000155122458 1016179264 /nfs/dbraw/zinc/17/92/64/1016179264.db2.gz VIAZZXNNYIBKGW-DVWBAYGPSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000155122458 1016179269 /nfs/dbraw/zinc/17/92/69/1016179269.db2.gz VIAZZXNNYIBKGW-DVWBAYGPSA-N 2 1 328.500 3.587 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(CCC)c1C ZINC000349124421 1016271796 /nfs/dbraw/zinc/27/17/96/1016271796.db2.gz BLGALFDOXYUPOJ-UHFFFAOYSA-N 2 1 331.508 3.581 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(CCC)c1C ZINC000349124421 1016271804 /nfs/dbraw/zinc/27/18/04/1016271804.db2.gz BLGALFDOXYUPOJ-UHFFFAOYSA-N 2 1 331.508 3.581 20 0 EHADMP COC1CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000892676503 1016474113 /nfs/dbraw/zinc/47/41/13/1016474113.db2.gz NJHDBMXTLXYGJW-UHFFFAOYSA-N 2 1 331.435 3.615 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC000178012108 1016512837 /nfs/dbraw/zinc/51/28/37/1016512837.db2.gz JPAALVNMMRUJSG-QFBILLFUSA-N 2 1 340.467 3.544 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC000178012136 1016513851 /nfs/dbraw/zinc/51/38/51/1016513851.db2.gz JPAALVNMMRUJSG-LPHOPBHVSA-N 2 1 340.467 3.544 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238104 1016756618 /nfs/dbraw/zinc/75/66/18/1016756618.db2.gz YAANYPHIUDCBJB-QFBILLFUSA-N 2 1 332.488 3.634 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340250926 1016783137 /nfs/dbraw/zinc/78/31/37/1016783137.db2.gz QBSILMCSTBTQBZ-ROUUACIJSA-N 2 1 332.488 3.533 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340250926 1016783157 /nfs/dbraw/zinc/78/31/57/1016783157.db2.gz QBSILMCSTBTQBZ-ROUUACIJSA-N 2 1 332.488 3.533 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000449067058 1032150590 /nfs/dbraw/zinc/15/05/90/1032150590.db2.gz HVUNVQMFTMWSOW-UHFFFAOYSA-N 2 1 333.476 3.915 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](OCC)[C@@H]2Sc2ccccc2)C1 ZINC000459457384 1032156694 /nfs/dbraw/zinc/15/66/94/1032156694.db2.gz CERNPRVWYPOESO-IJXRJRJASA-N 2 1 348.556 3.646 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000449069879 1032158072 /nfs/dbraw/zinc/15/80/72/1032158072.db2.gz ALANZALRVKCLSK-UHFFFAOYSA-N 2 1 333.520 3.859 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449108313 1032188760 /nfs/dbraw/zinc/18/87/60/1032188760.db2.gz UIBAUABZJONIDY-GOSISDBHSA-N 2 1 343.540 3.750 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449108313 1032188764 /nfs/dbraw/zinc/18/87/64/1032188764.db2.gz UIBAUABZJONIDY-GOSISDBHSA-N 2 1 343.540 3.750 20 0 EHADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000449108297 1032187950 /nfs/dbraw/zinc/18/79/50/1032187950.db2.gz UEAMCDKXZRJUCJ-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000449108297 1032187957 /nfs/dbraw/zinc/18/79/57/1032187957.db2.gz UEAMCDKXZRJUCJ-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP c1nc(CCc2ccccc2)sc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449089910 1032195466 /nfs/dbraw/zinc/19/54/66/1032195466.db2.gz LTULANYCFJETBL-ROUUACIJSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449089910 1032195473 /nfs/dbraw/zinc/19/54/73/1032195473.db2.gz LTULANYCFJETBL-ROUUACIJSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449089910 1032195482 /nfs/dbraw/zinc/19/54/82/1032195482.db2.gz LTULANYCFJETBL-ROUUACIJSA-N 2 1 341.524 3.645 20 0 EHADMP CCOC1CCC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000657840050 1032199277 /nfs/dbraw/zinc/19/92/77/1032199277.db2.gz LHCMGJRNKACHAT-UHFFFAOYSA-N 2 1 330.516 3.897 20 0 EHADMP C/C(Cl)=C/C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000528371394 1032206748 /nfs/dbraw/zinc/20/67/48/1032206748.db2.gz DDUROYNIIJONIS-ZMHGOHSBSA-N 2 1 336.907 3.506 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000459493322 1032215572 /nfs/dbraw/zinc/21/55/72/1032215572.db2.gz PHMFVNXYXWUCOI-INIZCTEOSA-N 2 1 348.288 3.638 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459532595 1032251725 /nfs/dbraw/zinc/25/17/25/1032251725.db2.gz USPOKQIAFMXUKU-UHFFFAOYSA-N 2 1 339.483 3.536 20 0 EHADMP C[C@H]1C[C@@H](NCc2ccncc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379656029 1032251920 /nfs/dbraw/zinc/25/19/20/1032251920.db2.gz NUBCXYRPYRJWDS-YJBOKZPZSA-N 2 1 329.875 3.878 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654833 1032252333 /nfs/dbraw/zinc/25/23/33/1032252333.db2.gz KCLIFSSGXFYBST-DENIHFKCSA-N 2 1 338.495 3.846 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379654833 1032252349 /nfs/dbraw/zinc/25/23/49/1032252349.db2.gz KCLIFSSGXFYBST-DENIHFKCSA-N 2 1 338.495 3.846 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449173996 1032266137 /nfs/dbraw/zinc/26/61/37/1032266137.db2.gz OWDIFUXKELHFRR-JHJVBQTASA-N 2 1 331.287 3.833 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449173996 1032266148 /nfs/dbraw/zinc/26/61/48/1032266148.db2.gz OWDIFUXKELHFRR-JHJVBQTASA-N 2 1 331.287 3.833 20 0 EHADMP Cc1cnccc1C[N@@H+](C)[C@H]1CCC[NH+](Cc2ccncc2C)CC1 ZINC000528421540 1032274662 /nfs/dbraw/zinc/27/46/62/1032274662.db2.gz RHVXJGBLEYEPPU-NRFANRHFSA-N 2 1 338.499 3.580 20 0 EHADMP Cc1cnccc1C[N@H+](C)[C@H]1CCC[NH+](Cc2ccncc2C)CC1 ZINC000528421540 1032274671 /nfs/dbraw/zinc/27/46/71/1032274671.db2.gz RHVXJGBLEYEPPU-NRFANRHFSA-N 2 1 338.499 3.580 20 0 EHADMP Cc1cnccc1C[NH+](C)[C@H]1CCC[N@H+](Cc2ccncc2C)CC1 ZINC000528421540 1032274680 /nfs/dbraw/zinc/27/46/80/1032274680.db2.gz RHVXJGBLEYEPPU-NRFANRHFSA-N 2 1 338.499 3.580 20 0 EHADMP Cc1cnccc1C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccncc2C)CC1 ZINC000528421540 1032274693 /nfs/dbraw/zinc/27/46/93/1032274693.db2.gz RHVXJGBLEYEPPU-NRFANRHFSA-N 2 1 338.499 3.580 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304277 1032285002 /nfs/dbraw/zinc/28/50/02/1032285002.db2.gz FRHWGJNESUIITO-LPHOPBHVSA-N 2 1 347.934 3.856 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304277 1032285015 /nfs/dbraw/zinc/28/50/15/1032285015.db2.gz FRHWGJNESUIITO-LPHOPBHVSA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304277 1032285027 /nfs/dbraw/zinc/28/50/27/1032285027.db2.gz FRHWGJNESUIITO-LPHOPBHVSA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@@H]21 ZINC000538304277 1032285038 /nfs/dbraw/zinc/28/50/38/1032285038.db2.gz FRHWGJNESUIITO-LPHOPBHVSA-N 2 1 347.934 3.856 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449224030 1032342898 /nfs/dbraw/zinc/34/28/98/1032342898.db2.gz ZHQQGKBJVNQJKU-UHFFFAOYSA-N 2 1 333.476 3.913 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634513 1032357437 /nfs/dbraw/zinc/35/74/37/1032357437.db2.gz AZAFZCMURJMKOG-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634513 1032357445 /nfs/dbraw/zinc/35/74/45/1032357445.db2.gz AZAFZCMURJMKOG-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634513 1032357452 /nfs/dbraw/zinc/35/74/52/1032357452.db2.gz AZAFZCMURJMKOG-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634513 1032357460 /nfs/dbraw/zinc/35/74/60/1032357460.db2.gz AZAFZCMURJMKOG-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459728082 1032433349 /nfs/dbraw/zinc/43/33/49/1032433349.db2.gz CRAKKLWFBIBZKX-CABCVRRESA-N 2 1 328.422 3.958 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459772394 1032462159 /nfs/dbraw/zinc/46/21/59/1032462159.db2.gz ILRUYYLYPYHRSI-SFHVURJKSA-N 2 1 338.499 3.671 20 0 EHADMP CCC[NH+]1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095502 1032510041 /nfs/dbraw/zinc/51/00/41/1032510041.db2.gz AVZWZMRURIUCPR-FPOVZHCZSA-N 3 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000537095502 1032510048 /nfs/dbraw/zinc/51/00/48/1032510048.db2.gz AVZWZMRURIUCPR-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095502 1032510053 /nfs/dbraw/zinc/51/00/53/1032510053.db2.gz AVZWZMRURIUCPR-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP COCCSc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000537105174 1032523941 /nfs/dbraw/zinc/52/39/41/1032523941.db2.gz SBTJUTBDNBLXOY-SJLPKXTDSA-N 2 1 336.545 3.950 20 0 EHADMP CCC[NH+]1CCC(NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000537109701 1032524602 /nfs/dbraw/zinc/52/46/02/1032524602.db2.gz WYZPSNORSPZTEM-JOCHJYFZSA-N 2 1 343.559 3.533 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)CC1 ZINC000537109701 1032524610 /nfs/dbraw/zinc/52/46/10/1032524610.db2.gz WYZPSNORSPZTEM-JOCHJYFZSA-N 2 1 343.559 3.533 20 0 EHADMP Clc1ccc2[nH+]ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000089602812 1032532629 /nfs/dbraw/zinc/53/26/29/1032532629.db2.gz RPAZSVGXKDUGEM-OAHLLOKOSA-N 2 1 331.847 3.553 20 0 EHADMP CCc1ccc([C@@H](CO)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000090844402 1032601526 /nfs/dbraw/zinc/60/15/26/1032601526.db2.gz CPZYISXLXCQYII-OAQYLSRUSA-N 2 1 330.516 3.669 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000537295848 1032602433 /nfs/dbraw/zinc/60/24/33/1032602433.db2.gz SKBPXAAMXSPYIM-DZJNRPSUSA-N 2 1 336.545 3.924 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000537295848 1032602443 /nfs/dbraw/zinc/60/24/43/1032602443.db2.gz SKBPXAAMXSPYIM-DZJNRPSUSA-N 2 1 336.545 3.924 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000537324391 1032631561 /nfs/dbraw/zinc/63/15/61/1032631561.db2.gz ZMHKBQBRTLHRQM-QFBILLFUSA-N 2 1 334.552 3.535 20 0 EHADMP CCc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215061 1123096313 /nfs/dbraw/zinc/09/63/13/1123096313.db2.gz HEPPCAOQSHEHGK-CVEARBPZSA-N 2 1 325.294 3.713 20 0 EHADMP CCc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215061 1123096318 /nfs/dbraw/zinc/09/63/18/1123096318.db2.gz HEPPCAOQSHEHGK-CVEARBPZSA-N 2 1 325.294 3.713 20 0 EHADMP CCN(CCC[NH+](CC)CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001167285926 1017220291 /nfs/dbraw/zinc/22/02/91/1017220291.db2.gz CDSOXFVHQPESMO-CTNGQTDRSA-N 2 1 331.548 3.876 20 0 EHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000415020775 1017406160 /nfs/dbraw/zinc/40/61/60/1017406160.db2.gz UERAACXDSVTKJN-HUUCEWRRSA-N 2 1 338.430 3.504 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655700556 1017417461 /nfs/dbraw/zinc/41/74/61/1017417461.db2.gz MRMIIFYDKKHMQB-GHTZIAJQSA-N 2 1 344.543 3.976 20 0 EHADMP Clc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655709220 1017430938 /nfs/dbraw/zinc/43/09/38/1017430938.db2.gz ZLHPNDNVNGOCGM-IBGZPJMESA-N 2 1 348.918 3.605 20 0 EHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CCC(c2ccccc2)CC1 ZINC000189141088 1017445454 /nfs/dbraw/zinc/44/54/54/1017445454.db2.gz ODMJBUBJVBNZQJ-UHFFFAOYSA-N 2 1 343.559 3.530 20 0 EHADMP CCOc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCC(C)C ZINC000415052975 1017462776 /nfs/dbraw/zinc/46/27/76/1017462776.db2.gz JMIXSMWFYXSLDN-OXQOHEQNSA-N 2 1 334.504 3.537 20 0 EHADMP Cc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCC2)c1 ZINC000655748058 1017516668 /nfs/dbraw/zinc/51/66/68/1017516668.db2.gz OAIRTNSEQHESNO-NRFANRHFSA-N 2 1 342.527 3.997 20 0 EHADMP Fc1ccccc1OC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415088561 1017534135 /nfs/dbraw/zinc/53/41/35/1017534135.db2.gz XSEFDLKNPJSULA-QFBILLFUSA-N 2 1 328.431 3.535 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655774224 1017567042 /nfs/dbraw/zinc/56/70/42/1017567042.db2.gz PXEANLJNHBMOBT-HJNYFJLDSA-N 2 1 342.527 3.803 20 0 EHADMP c1ccc(C[C@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275609918 1017710653 /nfs/dbraw/zinc/71/06/53/1017710653.db2.gz RAWCHKMRQILUAQ-RTWAWAEBSA-N 2 1 342.527 3.632 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835289 1017725674 /nfs/dbraw/zinc/72/56/74/1017725674.db2.gz WXVSBMIEHWTJPD-NQIIRXRSSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835289 1017725680 /nfs/dbraw/zinc/72/56/80/1017725680.db2.gz WXVSBMIEHWTJPD-NQIIRXRSSA-N 2 1 335.495 3.799 20 0 EHADMP COCCC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000377399437 1017745686 /nfs/dbraw/zinc/74/56/86/1017745686.db2.gz KWQMKNMATRDRSD-MHJFOBGBSA-N 2 1 334.479 3.900 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000466741906 1017757742 /nfs/dbraw/zinc/75/77/42/1017757742.db2.gz CFFPSOGIRRHRJQ-UHFFFAOYSA-N 2 1 335.580 3.887 20 0 EHADMP Cn1ncc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C1CC1 ZINC000893020274 1018181125 /nfs/dbraw/zinc/18/11/25/1018181125.db2.gz PFMAVXACABPTAX-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C1CC1 ZINC000893020274 1018181140 /nfs/dbraw/zinc/18/11/40/1018181140.db2.gz PFMAVXACABPTAX-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C1CC1 ZINC000893020274 1018181144 /nfs/dbraw/zinc/18/11/44/1018181144.db2.gz PFMAVXACABPTAX-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccn1 ZINC000340522874 1018208478 /nfs/dbraw/zinc/20/84/78/1018208478.db2.gz ZVASCBRWKMVTDA-HUUCEWRRSA-N 2 1 336.439 3.996 20 0 EHADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340530390 1018233648 /nfs/dbraw/zinc/23/36/48/1018233648.db2.gz ZLVHFKKFELSECB-JJHAYVRDSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1cc(F)ncc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000893098112 1018460908 /nfs/dbraw/zinc/46/09/08/1018460908.db2.gz GFNGDUYHSWODPG-VQIMIIECSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000893098112 1018460922 /nfs/dbraw/zinc/46/09/22/1018460922.db2.gz GFNGDUYHSWODPG-VQIMIIECSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000893098112 1018460928 /nfs/dbraw/zinc/46/09/28/1018460928.db2.gz GFNGDUYHSWODPG-VQIMIIECSA-N 2 1 327.447 3.672 20 0 EHADMP c1cc2c(o1)CCC[NH+](CCCC[N@H+]1CCCc3occc3C1)C2 ZINC000580240123 1018844259 /nfs/dbraw/zinc/84/42/59/1018844259.db2.gz CWKBHEMSZIAZKF-UHFFFAOYSA-N 2 1 328.456 3.849 20 0 EHADMP Cc1nc(C)c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000683897578 1019143028 /nfs/dbraw/zinc/14/30/28/1019143028.db2.gz CQSCYINXOAKBII-KXBFYZLASA-N 2 1 327.472 3.776 20 0 EHADMP COC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000580361680 1019188857 /nfs/dbraw/zinc/18/88/57/1019188857.db2.gz GKIDYCLKZCVJQK-RGCMJDONSA-N 2 1 342.527 3.834 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167937812 1019252014 /nfs/dbraw/zinc/25/20/14/1019252014.db2.gz AGYVUAYZKZEJOJ-FOLVSLTJSA-N 2 1 327.859 3.809 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000708558116 1032825713 /nfs/dbraw/zinc/82/57/13/1032825713.db2.gz COOZWIQQSCXIDZ-APWZRJJASA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000708558116 1032825728 /nfs/dbraw/zinc/82/57/28/1032825728.db2.gz COOZWIQQSCXIDZ-APWZRJJASA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000708558119 1032826385 /nfs/dbraw/zinc/82/63/85/1032826385.db2.gz COOZWIQQSCXIDZ-LPHOPBHVSA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000708558119 1032826405 /nfs/dbraw/zinc/82/64/05/1032826405.db2.gz COOZWIQQSCXIDZ-LPHOPBHVSA-N 2 1 342.458 3.692 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513336001 1019550223 /nfs/dbraw/zinc/55/02/23/1019550223.db2.gz UUZZLSYJVKTKIE-KJJOEJEFSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513336001 1019550238 /nfs/dbraw/zinc/55/02/38/1019550238.db2.gz UUZZLSYJVKTKIE-KJJOEJEFSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000345210271 1020064328 /nfs/dbraw/zinc/06/43/28/1020064328.db2.gz RPAAEMYJTPDXRI-CQSZACIVSA-N 2 1 329.257 3.552 20 0 EHADMP CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000345210271 1020064338 /nfs/dbraw/zinc/06/43/38/1020064338.db2.gz RPAAEMYJTPDXRI-CQSZACIVSA-N 2 1 329.257 3.552 20 0 EHADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccccc2o1 ZINC000345244124 1020091396 /nfs/dbraw/zinc/09/13/96/1020091396.db2.gz OHNUDTYOVJJHCT-FQEVSTJZSA-N 2 1 330.472 3.566 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000394063457 1020180084 /nfs/dbraw/zinc/18/00/84/1020180084.db2.gz DEOIFDCLIDRNKU-LBPRGKRZSA-N 2 1 331.323 3.819 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@H]3CC(C)=C[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000581100443 1020425272 /nfs/dbraw/zinc/42/52/72/1020425272.db2.gz MXRBZPXOPNFTJX-RDTXWAMCSA-N 2 1 328.504 3.644 20 0 EHADMP C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155488 1020552332 /nfs/dbraw/zinc/55/23/32/1020552332.db2.gz TXVVFJGZXLPBMQ-JXHRLWIKSA-N 2 1 349.522 3.673 20 0 EHADMP C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155488 1020552339 /nfs/dbraw/zinc/55/23/39/1020552339.db2.gz TXVVFJGZXLPBMQ-JXHRLWIKSA-N 2 1 349.522 3.673 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000156182129 1020777331 /nfs/dbraw/zinc/77/73/31/1020777331.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000156182129 1020777339 /nfs/dbraw/zinc/77/73/39/1020777339.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000156182129 1020777343 /nfs/dbraw/zinc/77/73/43/1020777343.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000156182129 1020777351 /nfs/dbraw/zinc/77/73/51/1020777351.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000156182129 1020777359 /nfs/dbraw/zinc/77/73/59/1020777359.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000156182129 1020777365 /nfs/dbraw/zinc/77/73/65/1020777365.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000156182129 1020777372 /nfs/dbraw/zinc/77/73/72/1020777372.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000156182129 1020777378 /nfs/dbraw/zinc/77/73/78/1020777378.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000156182129 1020777384 /nfs/dbraw/zinc/77/73/84/1020777384.db2.gz YNYHUOOONMCMCH-WAOWUJCRSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000581468693 1020938991 /nfs/dbraw/zinc/93/89/91/1020938991.db2.gz VBUNHZJATHUDES-GUDVDZBRSA-N 2 1 332.536 3.691 20 0 EHADMP COC(=O)c1csc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000602528034 1032962843 /nfs/dbraw/zinc/96/28/43/1032962843.db2.gz LXZZMTNTBLRQEB-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289668 1021277949 /nfs/dbraw/zinc/27/79/49/1021277949.db2.gz FDHFGVIGJHQQDB-VDGAXYAQSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289668 1021277959 /nfs/dbraw/zinc/27/79/59/1021277959.db2.gz FDHFGVIGJHQQDB-VDGAXYAQSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCCOC1 ZINC000507520169 1021328379 /nfs/dbraw/zinc/32/83/79/1021328379.db2.gz NQGKORCANCAWPR-LQWHRVPQSA-N 2 1 330.516 3.966 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC(C)C ZINC000656786536 1021331522 /nfs/dbraw/zinc/33/15/22/1021331522.db2.gz UELGXTSLGGHDHG-LJQANCHMSA-N 2 1 346.515 3.694 20 0 EHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000647171194 1021356620 /nfs/dbraw/zinc/35/66/20/1021356620.db2.gz CDONVOVJWCNJPZ-INIZCTEOSA-N 2 1 344.503 3.590 20 0 EHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479150 1021469156 /nfs/dbraw/zinc/46/91/56/1021469156.db2.gz GDYPDQSZPOQCCX-ROUUACIJSA-N 2 1 345.531 3.991 20 0 EHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479150 1021469167 /nfs/dbraw/zinc/46/91/67/1021469167.db2.gz GDYPDQSZPOQCCX-ROUUACIJSA-N 2 1 345.531 3.991 20 0 EHADMP Brc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964751 1021541673 /nfs/dbraw/zinc/54/16/73/1021541673.db2.gz XMPPVWHMMOIUIW-AYHJJNSGSA-N 2 1 349.316 3.944 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000341388443 1021662605 /nfs/dbraw/zinc/66/26/05/1021662605.db2.gz CBWIHFIBANZJHM-KRWDZBQOSA-N 2 1 328.504 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000341388443 1021662612 /nfs/dbraw/zinc/66/26/12/1021662612.db2.gz CBWIHFIBANZJHM-KRWDZBQOSA-N 2 1 328.504 3.773 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]2C1 ZINC000559072612 1021720210 /nfs/dbraw/zinc/72/02/10/1021720210.db2.gz HVKNXKNKFSGHAY-HDICACEKSA-N 2 1 342.433 3.590 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]2C1 ZINC000559072612 1021720226 /nfs/dbraw/zinc/72/02/26/1021720226.db2.gz HVKNXKNKFSGHAY-HDICACEKSA-N 2 1 342.433 3.590 20 0 EHADMP C[NH+]1C[C@@H]2C[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]2C1 ZINC000559072612 1021720238 /nfs/dbraw/zinc/72/02/38/1021720238.db2.gz HVKNXKNKFSGHAY-HDICACEKSA-N 2 1 342.433 3.590 20 0 EHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000430658348 1021788092 /nfs/dbraw/zinc/78/80/92/1021788092.db2.gz XIHOVOSMNUTYSW-UHFFFAOYSA-N 2 1 346.478 3.723 20 0 EHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000430658348 1021788101 /nfs/dbraw/zinc/78/81/01/1021788101.db2.gz XIHOVOSMNUTYSW-UHFFFAOYSA-N 2 1 346.478 3.723 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168471 1021909545 /nfs/dbraw/zinc/90/95/45/1021909545.db2.gz DTCLWEUCSMVCML-OAQYLSRUSA-N 2 1 344.499 3.560 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168471 1021909552 /nfs/dbraw/zinc/90/95/52/1021909552.db2.gz DTCLWEUCSMVCML-OAQYLSRUSA-N 2 1 344.499 3.560 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168471 1021909560 /nfs/dbraw/zinc/90/95/60/1021909560.db2.gz DTCLWEUCSMVCML-OAQYLSRUSA-N 2 1 344.499 3.560 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168471 1021909568 /nfs/dbraw/zinc/90/95/68/1021909568.db2.gz DTCLWEUCSMVCML-OAQYLSRUSA-N 2 1 344.499 3.560 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441180055 1022038018 /nfs/dbraw/zinc/03/80/18/1022038018.db2.gz FNWUKHAZTRBNMJ-UHFFFAOYSA-N 2 1 344.478 3.565 20 0 EHADMP Fc1cc(Br)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000093996571 1022063817 /nfs/dbraw/zinc/06/38/17/1022063817.db2.gz BLIDPUNXTBPMIE-MRXNPFEDSA-N 2 1 341.268 3.552 20 0 EHADMP C[C@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437699262 1022069035 /nfs/dbraw/zinc/06/90/35/1022069035.db2.gz IAQOSVWFLUFDRD-KURKYZTESA-N 2 1 348.506 3.750 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440330495 1022095827 /nfs/dbraw/zinc/09/58/27/1022095827.db2.gz VHFBUEPNRCQALY-HNNXBMFYSA-N 2 1 330.501 3.559 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440330495 1022095844 /nfs/dbraw/zinc/09/58/44/1022095844.db2.gz VHFBUEPNRCQALY-HNNXBMFYSA-N 2 1 330.501 3.559 20 0 EHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)s2)CC1(C)C ZINC000441339153 1022160148 /nfs/dbraw/zinc/16/01/48/1022160148.db2.gz VGKFSLORUKYSMA-UHFFFAOYSA-N 2 1 343.540 3.531 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126941742 1022258190 /nfs/dbraw/zinc/25/81/90/1022258190.db2.gz CULKIVRXVLFQFJ-RYUDHWBXSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1F ZINC000126941742 1022258203 /nfs/dbraw/zinc/25/82/03/1022258203.db2.gz CULKIVRXVLFQFJ-RYUDHWBXSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000519536719 1022313270 /nfs/dbraw/zinc/31/32/70/1022313270.db2.gz JGGNWJXPYGHLKO-QGZVFWFLSA-N 2 1 344.543 3.872 20 0 EHADMP c1ccc(OCCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000438119181 1022384858 /nfs/dbraw/zinc/38/48/58/1022384858.db2.gz JKNPOXOYGFOOOW-GHTZIAJQSA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119181 1022384874 /nfs/dbraw/zinc/38/48/74/1022384874.db2.gz JKNPOXOYGFOOOW-GHTZIAJQSA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119181 1022384891 /nfs/dbraw/zinc/38/48/91/1022384891.db2.gz JKNPOXOYGFOOOW-GHTZIAJQSA-N 2 1 328.500 3.794 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167970916 1022386083 /nfs/dbraw/zinc/38/60/83/1022386083.db2.gz PYUHRPYIQSXEPR-KVMCETHSSA-N 2 1 342.483 3.514 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167970916 1022386096 /nfs/dbraw/zinc/38/60/96/1022386096.db2.gz PYUHRPYIQSXEPR-KVMCETHSSA-N 2 1 342.483 3.514 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994515 1022415170 /nfs/dbraw/zinc/41/51/70/1022415170.db2.gz HDVHLBPGQMCEMY-IWWKYQTOSA-N 2 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994515 1022415172 /nfs/dbraw/zinc/41/51/72/1022415172.db2.gz HDVHLBPGQMCEMY-IWWKYQTOSA-N 2 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994515 1022415180 /nfs/dbraw/zinc/41/51/80/1022415180.db2.gz HDVHLBPGQMCEMY-IWWKYQTOSA-N 2 1 345.575 3.731 20 0 EHADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994515 1022415184 /nfs/dbraw/zinc/41/51/84/1022415184.db2.gz HDVHLBPGQMCEMY-IWWKYQTOSA-N 3 1 345.575 3.731 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994515 1022415191 /nfs/dbraw/zinc/41/51/91/1022415191.db2.gz HDVHLBPGQMCEMY-IWWKYQTOSA-N 3 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994515 1022415198 /nfs/dbraw/zinc/41/51/98/1022415198.db2.gz HDVHLBPGQMCEMY-IWWKYQTOSA-N 3 1 345.575 3.731 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994515 1022415208 /nfs/dbraw/zinc/41/52/08/1022415208.db2.gz HDVHLBPGQMCEMY-IWWKYQTOSA-N 3 1 345.575 3.731 20 0 EHADMP OC1([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc2)CCC1 ZINC001167973143 1022486443 /nfs/dbraw/zinc/48/64/43/1022486443.db2.gz HTXJGUYBFGWAPD-OTYNDTSQSA-N 2 1 340.511 3.638 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cncc(Br)c1 ZINC000569356911 1022594970 /nfs/dbraw/zinc/59/49/70/1022594970.db2.gz PKBOAGZVFANJIY-KGLIPLIRSA-N 2 1 340.309 3.759 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cncc(Br)c1 ZINC000569356911 1022594984 /nfs/dbraw/zinc/59/49/84/1022594984.db2.gz PKBOAGZVFANJIY-KGLIPLIRSA-N 2 1 340.309 3.759 20 0 EHADMP Cc1cnccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167975442 1022618959 /nfs/dbraw/zinc/61/89/59/1022618959.db2.gz PIPTUKMQFNUSPH-QYYYHEGRSA-N 2 1 325.500 3.836 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000517766741 1022647062 /nfs/dbraw/zinc/64/70/62/1022647062.db2.gz YOKPKXPFQFPFQY-QEJZJMRPSA-N 2 1 343.298 3.835 20 0 EHADMP Fc1ccc(F)c2c1CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981812 1022785650 /nfs/dbraw/zinc/78/56/50/1022785650.db2.gz LIDFBZNVNWFFCM-QBXFWIFKSA-N 2 1 332.438 3.947 20 0 EHADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981812 1022785663 /nfs/dbraw/zinc/78/56/63/1022785663.db2.gz LIDFBZNVNWFFCM-QBXFWIFKSA-N 2 1 332.438 3.947 20 0 EHADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981812 1022785682 /nfs/dbraw/zinc/78/56/82/1022785682.db2.gz LIDFBZNVNWFFCM-QBXFWIFKSA-N 2 1 332.438 3.947 20 0 EHADMP Cc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000441445526 1022835508 /nfs/dbraw/zinc/83/55/08/1022835508.db2.gz JITNAYPZABSPHB-HXUWFJFHSA-N 2 1 330.516 3.880 20 0 EHADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414942605 1022928143 /nfs/dbraw/zinc/92/81/43/1022928143.db2.gz ZXFHWWQJBLGZPW-QHCPKHFHSA-N 2 1 349.522 3.943 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCc1ccccc1 ZINC000414941991 1022933806 /nfs/dbraw/zinc/93/38/06/1022933806.db2.gz DFPQUHAPYGLFTL-LPHOPBHVSA-N 2 1 340.467 3.504 20 0 EHADMP Clc1cccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441464152 1022992104 /nfs/dbraw/zinc/99/21/04/1022992104.db2.gz ABYUVQCMUKXSHV-KRWDZBQOSA-N 2 1 336.907 3.917 20 0 EHADMP Cn1nccc1-c1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000507109154 1023134995 /nfs/dbraw/zinc/13/49/95/1023134995.db2.gz BFCJIBFNPKZJBM-UHFFFAOYSA-N 2 1 338.499 3.537 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506448174 1023166533 /nfs/dbraw/zinc/16/65/33/1023166533.db2.gz QVSPZJWCUDMBAB-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506448174 1023166538 /nfs/dbraw/zinc/16/65/38/1023166538.db2.gz QVSPZJWCUDMBAB-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506448174 1023166549 /nfs/dbraw/zinc/16/65/49/1023166549.db2.gz QVSPZJWCUDMBAB-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506448174 1023166557 /nfs/dbraw/zinc/16/65/57/1023166557.db2.gz QVSPZJWCUDMBAB-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000518267647 1023177024 /nfs/dbraw/zinc/17/70/24/1023177024.db2.gz PVWVZKPWCUUIQY-RMKNXTFCSA-N 2 1 349.522 3.627 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427099255 1023213634 /nfs/dbraw/zinc/21/36/34/1023213634.db2.gz GWSCYEGTTFOUCF-NVXWUHKLSA-N 2 1 326.406 3.712 20 0 EHADMP CCCCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253613 1023358233 /nfs/dbraw/zinc/35/82/33/1023358233.db2.gz OMNSXUJZSUQCDM-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253613 1023358241 /nfs/dbraw/zinc/35/82/41/1023358241.db2.gz OMNSXUJZSUQCDM-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253613 1023358250 /nfs/dbraw/zinc/35/82/50/1023358250.db2.gz OMNSXUJZSUQCDM-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253613 1023358255 /nfs/dbraw/zinc/35/82/55/1023358255.db2.gz OMNSXUJZSUQCDM-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449737136 1033134442 /nfs/dbraw/zinc/13/44/42/1033134442.db2.gz YSHIMOSNVFUZHE-IBGZPJMESA-N 2 1 337.511 3.884 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]21 ZINC000342082386 1023890458 /nfs/dbraw/zinc/89/04/58/1023890458.db2.gz IQIOVWNOJVGWNV-RRQGHBQHSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@H]21 ZINC000342082384 1023890662 /nfs/dbraw/zinc/89/06/62/1023890662.db2.gz IQIOVWNOJVGWNV-IAOVAPTHSA-N 2 1 331.847 3.554 20 0 EHADMP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000192442773 1024010495 /nfs/dbraw/zinc/01/04/95/1024010495.db2.gz TZCMLHJOFLEFMJ-IPJUCJBFSA-N 2 1 344.499 3.533 20 0 EHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000522546425 1024056614 /nfs/dbraw/zinc/05/66/14/1024056614.db2.gz LXMPBZDKOUZBSL-BBRMVZONSA-N 2 1 339.911 3.623 20 0 EHADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003509 1024117693 /nfs/dbraw/zinc/11/76/93/1024117693.db2.gz ODDULKZJPSDTTG-ZEDDUWKQSA-N 2 1 342.527 3.963 20 0 EHADMP COc1ccccc1C[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003509 1024117701 /nfs/dbraw/zinc/11/77/01/1024117701.db2.gz ODDULKZJPSDTTG-ZEDDUWKQSA-N 2 1 342.527 3.963 20 0 EHADMP COc1ccccc1C[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003509 1024117711 /nfs/dbraw/zinc/11/77/11/1024117711.db2.gz ODDULKZJPSDTTG-ZEDDUWKQSA-N 2 1 342.527 3.963 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000514108013 1024138946 /nfs/dbraw/zinc/13/89/46/1024138946.db2.gz UAHJHJKFLVGAPI-UHFFFAOYSA-N 2 1 341.499 3.998 20 0 EHADMP CC[NH+](CC)CCC[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000514108013 1024138961 /nfs/dbraw/zinc/13/89/61/1024138961.db2.gz UAHJHJKFLVGAPI-UHFFFAOYSA-N 2 1 341.499 3.998 20 0 EHADMP CC[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000507783970 1024233870 /nfs/dbraw/zinc/23/38/70/1024233870.db2.gz PGIXDBMZACXSRP-QHAWAJNXSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000507783970 1024233887 /nfs/dbraw/zinc/23/38/87/1024233887.db2.gz PGIXDBMZACXSRP-QHAWAJNXSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000507783970 1024233901 /nfs/dbraw/zinc/23/39/01/1024233901.db2.gz PGIXDBMZACXSRP-QHAWAJNXSA-N 2 1 330.516 3.646 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000427604419 1024236284 /nfs/dbraw/zinc/23/62/84/1024236284.db2.gz PJWNKIUJDRLSRX-GRDNDAEWSA-N 2 1 339.405 3.694 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000427604419 1024236297 /nfs/dbraw/zinc/23/62/97/1024236297.db2.gz PJWNKIUJDRLSRX-GRDNDAEWSA-N 2 1 339.405 3.694 20 0 EHADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c1 ZINC000166547227 1024238774 /nfs/dbraw/zinc/23/87/74/1024238774.db2.gz NAWYCWVEMVDAKX-RTBURBONSA-N 2 1 328.500 3.723 20 0 EHADMP CC1(C)CC[NH+](C/C=C\C[N@H+]2CCSC(C)(C)CC2)CCS1 ZINC000434664814 1024253618 /nfs/dbraw/zinc/25/36/18/1024253618.db2.gz LJVCEQMXYRDVIZ-WAYWQWQTSA-N 2 1 342.618 3.978 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000535806998 1024473116 /nfs/dbraw/zinc/47/31/16/1024473116.db2.gz PZYRZZQBRJCEFX-QHAWAJNXSA-N 2 1 330.516 3.569 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000346161275 1024474690 /nfs/dbraw/zinc/47/46/90/1024474690.db2.gz XJJQADKTZMEKPP-UHFFFAOYSA-N 2 1 326.831 3.861 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000346161275 1024474701 /nfs/dbraw/zinc/47/47/01/1024474701.db2.gz XJJQADKTZMEKPP-UHFFFAOYSA-N 2 1 326.831 3.861 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2cccnc12 ZINC000346166380 1024480800 /nfs/dbraw/zinc/48/08/00/1024480800.db2.gz IWHPILVLDHAONU-PZJWPPBQSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166380 1024480806 /nfs/dbraw/zinc/48/08/06/1024480806.db2.gz IWHPILVLDHAONU-PZJWPPBQSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166380 1024480815 /nfs/dbraw/zinc/48/08/15/1024480815.db2.gz IWHPILVLDHAONU-PZJWPPBQSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000346182539 1024497605 /nfs/dbraw/zinc/49/76/05/1024497605.db2.gz VBCDUXWLUMVFRY-LPHOPBHVSA-N 2 1 332.451 3.954 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414860026 1024513934 /nfs/dbraw/zinc/51/39/34/1024513934.db2.gz VCNRUDAFKWBLQX-WDEREUQCSA-N 2 1 331.685 3.580 20 0 EHADMP C[C@H]1C[N@H+](Cc2cc3c(ccnc3Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895555862 1024609934 /nfs/dbraw/zinc/60/99/34/1024609934.db2.gz CZYIDWPOTFLHRM-ZDUSSCGKSA-N 2 1 342.830 3.587 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc3c(ccnc3Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895555862 1024609939 /nfs/dbraw/zinc/60/99/39/1024609939.db2.gz CZYIDWPOTFLHRM-ZDUSSCGKSA-N 2 1 342.830 3.587 20 0 EHADMP Brc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001205002072 1024610429 /nfs/dbraw/zinc/61/04/29/1024610429.db2.gz YSOFPJLPXYYFKA-PBHICJAKSA-N 2 1 337.305 3.976 20 0 EHADMP COc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1F ZINC000192693274 1024616218 /nfs/dbraw/zinc/61/62/18/1024616218.db2.gz AYFNINABTOYMCQ-VQIMIIECSA-N 2 1 342.458 3.977 20 0 EHADMP C[C@@H]1CC([NH2+]CCCC[NH+]2CCCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168009087 1024637601 /nfs/dbraw/zinc/63/76/01/1024637601.db2.gz GTHZOZWVGHGYKN-WOJBJXKFSA-N 2 1 343.559 3.894 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000665232746 1024690273 /nfs/dbraw/zinc/69/02/73/1024690273.db2.gz SQYSQYLYOICZGB-CEMLEFRQSA-N 2 1 335.495 3.659 20 0 EHADMP CCC[N@@H+](Cc1cc(-c2ccncc2)ccc1OC)C1CC[NH2+]CC1 ZINC000435368309 1024851774 /nfs/dbraw/zinc/85/17/74/1024851774.db2.gz AMCJZWSWJCBOCP-UHFFFAOYSA-N 2 1 339.483 3.721 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1Cl ZINC000346628268 1024968025 /nfs/dbraw/zinc/96/80/25/1024968025.db2.gz ATCIQONJQGSWOP-QGZVFWFLSA-N 2 1 334.895 3.546 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000157624243 1024971640 /nfs/dbraw/zinc/97/16/40/1024971640.db2.gz DTKYJCNQGROLPA-ZWKOTPCHSA-N 2 1 340.515 3.986 20 0 EHADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257705 1025013836 /nfs/dbraw/zinc/01/38/36/1025013836.db2.gz RGFQLXNWILXZHF-DAXOMENPSA-N 2 1 332.385 3.982 20 0 EHADMP CC[C@H](C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000474480870 1025029106 /nfs/dbraw/zinc/02/91/06/1025029106.db2.gz VBQIAUGFYOTBQG-XYJFISCASA-N 2 1 334.504 3.660 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474493260 1025053258 /nfs/dbraw/zinc/05/32/58/1025053258.db2.gz SIOHTVVKTAFYIY-MRXNPFEDSA-N 2 1 328.422 3.960 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCc1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC000435737155 1025114819 /nfs/dbraw/zinc/11/48/19/1025114819.db2.gz FFJWLXVWLDZHDY-SFHVURJKSA-N 2 1 343.540 3.804 20 0 EHADMP C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000582053900 1025115269 /nfs/dbraw/zinc/11/52/69/1025115269.db2.gz UEGMAOGJWHQVIR-VXSCBNMQSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)C[NH+]1CCCC1 ZINC000657319065 1025122034 /nfs/dbraw/zinc/12/20/34/1025122034.db2.gz QOLSPRKCHMSHDX-INIZCTEOSA-N 2 1 343.446 3.835 20 0 EHADMP C[C@H]1CC([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168037367 1025175041 /nfs/dbraw/zinc/17/50/41/1025175041.db2.gz XUUQCDLMHIQPSK-JEEBJRHZSA-N 2 1 343.559 3.890 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657324630 1025181907 /nfs/dbraw/zinc/18/19/07/1025181907.db2.gz FPLQEMPWYWKGCJ-QGZVFWFLSA-N 2 1 343.446 3.835 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657324630 1025181911 /nfs/dbraw/zinc/18/19/11/1025181911.db2.gz FPLQEMPWYWKGCJ-QGZVFWFLSA-N 2 1 343.446 3.835 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000474608320 1025205786 /nfs/dbraw/zinc/20/57/86/1025205786.db2.gz UWWPDMKEDZCDEK-CLPROHDKSA-N 2 1 338.536 3.599 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000925132721 1025353859 /nfs/dbraw/zinc/35/38/59/1025353859.db2.gz BHSBRZXQJNDWQI-LSTDLKDCSA-N 2 1 336.545 3.782 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000925132721 1025353875 /nfs/dbraw/zinc/35/38/75/1025353875.db2.gz BHSBRZXQJNDWQI-LSTDLKDCSA-N 2 1 336.545 3.782 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@@H]1c1ccccc1 ZINC000453362420 1025369083 /nfs/dbraw/zinc/36/90/83/1025369083.db2.gz BAJZTDOOJQUPDE-RTBURBONSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@@H]1c1ccccc1 ZINC000453362420 1025369101 /nfs/dbraw/zinc/36/91/01/1025369101.db2.gz BAJZTDOOJQUPDE-RTBURBONSA-N 2 1 330.516 3.743 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000474727073 1025376201 /nfs/dbraw/zinc/37/62/01/1025376201.db2.gz QXIZLQGECXPLFU-HZPDHXFCSA-N 2 1 334.504 3.660 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000474727073 1025376215 /nfs/dbraw/zinc/37/62/15/1025376215.db2.gz QXIZLQGECXPLFU-HZPDHXFCSA-N 2 1 334.504 3.660 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc4nonc4c3)CC23CC3)cc1 ZINC000897990563 1033281923 /nfs/dbraw/zinc/28/19/23/1033281923.db2.gz WRLURMMWKABKNP-GOSISDBHSA-N 2 1 348.450 3.510 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc4nonc4c3)CC23CC3)cc1 ZINC000897990563 1033281938 /nfs/dbraw/zinc/28/19/38/1033281938.db2.gz WRLURMMWKABKNP-GOSISDBHSA-N 2 1 348.450 3.510 20 0 EHADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000474799454 1025481651 /nfs/dbraw/zinc/48/16/51/1025481651.db2.gz CUMHYCMWTKPVQS-PGRDOPGGSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000474799454 1025481658 /nfs/dbraw/zinc/48/16/58/1025481658.db2.gz CUMHYCMWTKPVQS-PGRDOPGGSA-N 2 1 337.511 3.823 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C3CCC(C(F)F)CC3)CCCC2)CC1 ZINC000442791805 1025487437 /nfs/dbraw/zinc/48/74/37/1025487437.db2.gz MSYAGBDWABTOGX-UHFFFAOYSA-N 2 1 344.490 3.824 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(cccc3C)[nH]2)[C@H](C)C1 ZINC000657364087 1025519093 /nfs/dbraw/zinc/51/90/93/1025519093.db2.gz SHEAPBXYVAKACZ-XLIONFOSSA-N 2 1 343.515 3.703 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2)o1 ZINC000442861052 1025532247 /nfs/dbraw/zinc/53/22/47/1025532247.db2.gz CXCDEJQYUYKOEY-QGZVFWFLSA-N 2 1 341.499 3.623 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1(C)C ZINC000442861552 1025534141 /nfs/dbraw/zinc/53/41/41/1025534141.db2.gz DKWUKBINSARAAQ-FQEVSTJZSA-N 2 1 347.522 3.673 20 0 EHADMP COC/C(C)=C/C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167558102 1025674184 /nfs/dbraw/zinc/67/41/84/1025674184.db2.gz GLJDJDKDNJCOHG-ZAFGODJCSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C/C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167558102 1025674190 /nfs/dbraw/zinc/67/41/90/1025674190.db2.gz GLJDJDKDNJCOHG-ZAFGODJCSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C/C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167558102 1025674195 /nfs/dbraw/zinc/67/41/95/1025674195.db2.gz GLJDJDKDNJCOHG-ZAFGODJCSA-N 2 1 328.500 3.567 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000443056522 1025693633 /nfs/dbraw/zinc/69/36/33/1025693633.db2.gz CUPVKZBQVMNIBD-CQSZACIVSA-N 2 1 330.394 3.535 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000530354980 1025697182 /nfs/dbraw/zinc/69/71/82/1025697182.db2.gz OCVYTBOWOWEGLM-NSHDSACASA-N 2 1 330.284 3.998 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000474876587 1025749675 /nfs/dbraw/zinc/74/96/75/1025749675.db2.gz IIJHAYCBPXODSF-HKUYNNGSSA-N 2 1 330.520 3.867 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CCOC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044100 1025815002 /nfs/dbraw/zinc/81/50/02/1025815002.db2.gz FHXDLOPUEFQTSV-KOUHRCEDSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044100 1025815028 /nfs/dbraw/zinc/81/50/28/1025815028.db2.gz FHXDLOPUEFQTSV-KOUHRCEDSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044100 1025815053 /nfs/dbraw/zinc/81/50/53/1025815053.db2.gz FHXDLOPUEFQTSV-KOUHRCEDSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000443209028 1025815454 /nfs/dbraw/zinc/81/54/54/1025815454.db2.gz DIROHUZHOYFFKJ-IYBDPMFKSA-N 2 1 340.471 3.705 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000475056723 1025868391 /nfs/dbraw/zinc/86/83/91/1025868391.db2.gz MSRLNCWFCMAGKX-JOCHJYFZSA-N 2 1 344.543 3.772 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000121802657 1025878658 /nfs/dbraw/zinc/87/86/58/1025878658.db2.gz BJJFAPGANVBNSS-UHFFFAOYSA-N 2 1 330.501 3.599 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451488915 1026032391 /nfs/dbraw/zinc/03/23/91/1026032391.db2.gz DNTLYWCLSJPJRA-VQTJNVASSA-N 2 1 341.499 3.945 20 0 EHADMP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061321 1026478506 /nfs/dbraw/zinc/47/85/06/1026478506.db2.gz HSQQKHCASZRTIT-YHELAOLJSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061321 1026478511 /nfs/dbraw/zinc/47/85/11/1026478511.db2.gz HSQQKHCASZRTIT-YHELAOLJSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061321 1026478518 /nfs/dbraw/zinc/47/85/18/1026478518.db2.gz HSQQKHCASZRTIT-YHELAOLJSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061321 1026478523 /nfs/dbraw/zinc/47/85/23/1026478523.db2.gz HSQQKHCASZRTIT-YHELAOLJSA-N 2 1 330.516 3.785 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCCOC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063326 1026561236 /nfs/dbraw/zinc/56/12/36/1026561236.db2.gz MUVINIHAYJMIBX-QZTJIDSGSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1CC([N@H+]2CCCOC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063326 1026561239 /nfs/dbraw/zinc/56/12/39/1026561239.db2.gz MUVINIHAYJMIBX-QZTJIDSGSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@H]1CC([N@@H+]2CCCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063329 1026562913 /nfs/dbraw/zinc/56/29/13/1026562913.db2.gz MUVINIHAYJMIBX-ROUUACIJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@H]1CC([N@H+]2CCCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063329 1026562917 /nfs/dbraw/zinc/56/29/17/1026562917.db2.gz MUVINIHAYJMIBX-ROUUACIJSA-N 2 1 330.516 3.929 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000609806627 1026566013 /nfs/dbraw/zinc/56/60/13/1026566013.db2.gz QVUFRPPMYPEIDU-IBGZPJMESA-N 2 1 338.536 3.554 20 0 EHADMP C[C@@H]1CC([NH+]2CC3(C2)C[C@H](F)CS3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065149 1026628022 /nfs/dbraw/zinc/62/80/22/1026628022.db2.gz UDHGRSLLIRLVFV-NUJGCVRESA-N 2 1 348.531 3.957 20 0 EHADMP C[C@@H]1CC([NH+]2CC3(C2)C[C@@H](F)CS3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065143 1026628437 /nfs/dbraw/zinc/62/84/37/1026628437.db2.gz UDHGRSLLIRLVFV-JFIYKMOQSA-N 2 1 348.531 3.957 20 0 EHADMP COCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159350349 1026629861 /nfs/dbraw/zinc/62/98/61/1026629861.db2.gz VZRKTNOAHVOCJX-UHFFFAOYSA-N 2 1 344.421 3.638 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159350349 1026629873 /nfs/dbraw/zinc/62/98/73/1026629873.db2.gz VZRKTNOAHVOCJX-UHFFFAOYSA-N 2 1 344.421 3.638 20 0 EHADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935602 1026648943 /nfs/dbraw/zinc/64/89/43/1026648943.db2.gz GJNYYHHOSINVDF-YLJYHZDGSA-N 2 1 326.459 3.868 20 0 EHADMP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301465017 1026815645 /nfs/dbraw/zinc/81/56/45/1026815645.db2.gz LFDLYDKEUQLUCJ-AWEZNQCLSA-N 2 1 348.288 3.918 20 0 EHADMP Cc1[nH+]c2ccccc2c(N2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000302055838 1027037866 /nfs/dbraw/zinc/03/78/66/1027037866.db2.gz AQRAXIXHHPAUTJ-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP Cc1cc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000302213376 1027092805 /nfs/dbraw/zinc/09/28/05/1027092805.db2.gz FNDDGEBJZUCMGJ-OAHLLOKOSA-N 2 1 338.377 3.827 20 0 EHADMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1ccccc1 ZINC000501149385 1027100437 /nfs/dbraw/zinc/10/04/37/1027100437.db2.gz DQWNHFYJTRBLBX-UHFFFAOYSA-N 2 1 345.575 3.603 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568076 1027199131 /nfs/dbraw/zinc/19/91/31/1027199131.db2.gz XNPMMZAOCWSXMC-NVXWUHKLSA-N 2 1 334.826 3.743 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568076 1027199144 /nfs/dbraw/zinc/19/91/44/1027199144.db2.gz XNPMMZAOCWSXMC-NVXWUHKLSA-N 2 1 334.826 3.743 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700559 1027222000 /nfs/dbraw/zinc/22/20/00/1027222000.db2.gz NLWQQJOLAHPCNJ-HKUYNNGSSA-N 2 1 340.467 3.586 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453054911 1027298284 /nfs/dbraw/zinc/29/82/84/1027298284.db2.gz BXVZHWQOEWJVPG-HBMCJLEFSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453058033 1027306425 /nfs/dbraw/zinc/30/64/25/1027306425.db2.gz IOJAZKQDCMIEMA-RTBURBONSA-N 2 1 347.890 3.615 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[N@@H+]1C ZINC000453116571 1027392892 /nfs/dbraw/zinc/39/28/92/1027392892.db2.gz JIPRGYATYALTRM-SKWUIDRYSA-N 2 1 336.907 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[N@H+]1C ZINC000453116571 1027392899 /nfs/dbraw/zinc/39/28/99/1027392899.db2.gz JIPRGYATYALTRM-SKWUIDRYSA-N 2 1 336.907 3.502 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453150883 1027421156 /nfs/dbraw/zinc/42/11/56/1027421156.db2.gz MUOFUYNPVZKEFO-BQJUDKOJSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453150888 1027421464 /nfs/dbraw/zinc/42/14/64/1027421464.db2.gz MUOFUYNPVZKEFO-DOIPELPJSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453129535 1027426872 /nfs/dbraw/zinc/42/68/72/1027426872.db2.gz RHJRQERRKWISBN-MRXNPFEDSA-N 2 1 337.471 3.723 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncn1 ZINC000453127629 1027427414 /nfs/dbraw/zinc/42/74/14/1027427414.db2.gz PUQZGWZMKJBKSV-INIZCTEOSA-N 2 1 336.439 3.552 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C12CCC2 ZINC000453131663 1027435405 /nfs/dbraw/zinc/43/54/05/1027435405.db2.gz PIPLLWUOMJIJPK-NIKGAXFTSA-N 2 1 325.456 3.789 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453138805 1027446843 /nfs/dbraw/zinc/44/68/43/1027446843.db2.gz DTOHYTPCGMEYAQ-HBMCJLEFSA-N 2 1 342.527 3.836 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000420307281 1027453440 /nfs/dbraw/zinc/45/34/40/1027453440.db2.gz BWEVPWUYJUJZQI-WBVHZDCISA-N 2 1 348.849 3.532 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000420307281 1027453449 /nfs/dbraw/zinc/45/34/49/1027453449.db2.gz BWEVPWUYJUJZQI-WBVHZDCISA-N 2 1 348.849 3.532 20 0 EHADMP c1ccc(C[N@H+](CCCCC2CCOCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420304570 1027454155 /nfs/dbraw/zinc/45/41/55/1027454155.db2.gz FCLOLRSRGFAWAL-NRFANRHFSA-N 2 1 345.531 3.623 20 0 EHADMP FC1(F)CCC[C@@H](C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)C1 ZINC000420309022 1027457631 /nfs/dbraw/zinc/45/76/31/1027457631.db2.gz LCNBIOYJVQEPKL-AEFFLSMTSA-N 2 1 337.458 3.851 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420319316 1027466015 /nfs/dbraw/zinc/46/60/15/1027466015.db2.gz PANPBBOWRSBRSH-ROUUACIJSA-N 2 1 340.515 3.796 20 0 EHADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420322185 1027469601 /nfs/dbraw/zinc/46/96/01/1027469601.db2.gz SIAGGDKUKYNEPE-BEFAXECRSA-N 2 1 344.890 3.541 20 0 EHADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332599 1027482972 /nfs/dbraw/zinc/48/29/72/1027482972.db2.gz GOZQBMONNLTWLJ-DZGCQCFKSA-N 2 1 348.441 3.956 20 0 EHADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000420354802 1027483804 /nfs/dbraw/zinc/48/38/04/1027483804.db2.gz DKRINPSRPVFKLZ-ZDUSSCGKSA-N 2 1 347.450 3.731 20 0 EHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000420372553 1027498206 /nfs/dbraw/zinc/49/82/06/1027498206.db2.gz YFNFJSGZWFBTDX-IBGZPJMESA-N 2 1 326.484 3.756 20 0 EHADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420377488 1027498856 /nfs/dbraw/zinc/49/88/56/1027498856.db2.gz SATMRVFPUDZNFH-MSOLQXFVSA-N 2 1 331.504 3.505 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C3)cs1 ZINC000420375067 1027514767 /nfs/dbraw/zinc/51/47/67/1027514767.db2.gz OWHHDDADFINLSF-AWEZNQCLSA-N 2 1 347.553 3.928 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000501806069 1027537576 /nfs/dbraw/zinc/53/75/76/1027537576.db2.gz QIKJHKUGDCWSPH-KRWDZBQOSA-N 2 1 336.495 3.957 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc4ccccc43)cc2)C1 ZINC000657593138 1027545811 /nfs/dbraw/zinc/54/58/11/1027545811.db2.gz DTFMUNQUFXEXFR-JOCHJYFZSA-N 2 1 346.474 3.696 20 0 EHADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735489 1027582955 /nfs/dbraw/zinc/58/29/55/1027582955.db2.gz VIMLFTBQQBZACN-UHFFFAOYSA-N 2 1 326.406 3.979 20 0 EHADMP C[C@H](C[NH2+]Cc1ccccc1OC(F)(F)F)C[NH+]1CCCCC1 ZINC000320946612 1027629584 /nfs/dbraw/zinc/62/95/84/1027629584.db2.gz HHCBMYSQZIDKOK-CQSZACIVSA-N 2 1 330.394 3.797 20 0 EHADMP C[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)CC(C)(C)C[NH3+] ZINC000414662461 1027747054 /nfs/dbraw/zinc/74/70/54/1027747054.db2.gz QJWKSPDHKYIDIP-UHFFFAOYSA-N 2 1 340.515 3.642 20 0 EHADMP C[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)CC(C)(C)C[NH3+] ZINC000414662461 1027747069 /nfs/dbraw/zinc/74/70/69/1027747069.db2.gz QJWKSPDHKYIDIP-UHFFFAOYSA-N 2 1 340.515 3.642 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414667341 1027777936 /nfs/dbraw/zinc/77/79/36/1027777936.db2.gz YIXYMMIEZTYJDX-CDKMSYNUSA-N 2 1 336.479 3.948 20 0 EHADMP c1ccc(Oc2ccc(OCC[NH+]3CCC4(CC[NH2+]4)CC3)cc2)cc1 ZINC000422642793 1027837899 /nfs/dbraw/zinc/83/78/99/1027837899.db2.gz ZZNJFQYCSINJBL-UHFFFAOYSA-N 2 1 338.451 3.686 20 0 EHADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422692666 1027871952 /nfs/dbraw/zinc/87/19/52/1027871952.db2.gz KQUHEGKZORCNBQ-QHAWAJNXSA-N 2 1 329.532 3.539 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000422742366 1027910994 /nfs/dbraw/zinc/91/09/94/1027910994.db2.gz GCSWWPOZUKINLN-KZNAEPCWSA-N 2 1 335.561 3.628 20 0 EHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984121 1027944122 /nfs/dbraw/zinc/94/41/22/1027944122.db2.gz SKTGJYAKZXUKJF-OAQYLSRUSA-N 2 1 347.522 3.769 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000420974375 1027954559 /nfs/dbraw/zinc/95/45/59/1027954559.db2.gz DLVZEXRACRUJDG-KRWDZBQOSA-N 2 1 349.950 3.893 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1OC ZINC000502241527 1027990870 /nfs/dbraw/zinc/99/08/70/1027990870.db2.gz MMWWQXDSRQTZEA-WMZOPIPTSA-N 2 1 346.515 3.550 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1OC ZINC000502241527 1027990884 /nfs/dbraw/zinc/99/08/84/1027990884.db2.gz MMWWQXDSRQTZEA-WMZOPIPTSA-N 2 1 346.515 3.550 20 0 EHADMP C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)c1c[nH+]ccc1N ZINC000422844518 1028007933 /nfs/dbraw/zinc/00/79/33/1028007933.db2.gz MBBVJWVSOAWKHQ-CYBMUJFWSA-N 2 1 331.410 3.935 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422885380 1028019648 /nfs/dbraw/zinc/01/96/48/1028019648.db2.gz UPWNSIRVMVHQFK-JADJLQFSSA-N 3 1 341.543 3.537 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422885380 1028019664 /nfs/dbraw/zinc/01/96/64/1028019664.db2.gz UPWNSIRVMVHQFK-JADJLQFSSA-N 2 1 341.543 3.537 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422885380 1028019677 /nfs/dbraw/zinc/01/96/77/1028019677.db2.gz UPWNSIRVMVHQFK-JADJLQFSSA-N 2 1 341.543 3.537 20 0 EHADMP Brc1cccc(C[C@@H]2CCCC[N@H+]2CCn2ccnc2)c1 ZINC000421045349 1028029292 /nfs/dbraw/zinc/02/92/92/1028029292.db2.gz UUCIHRMLBPVYPA-KRWDZBQOSA-N 2 1 348.288 3.743 20 0 EHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004397 1028119218 /nfs/dbraw/zinc/11/92/18/1028119218.db2.gz OWLOFJUNKRSGSL-JKSUJKDBSA-N 2 1 330.394 3.515 20 0 EHADMP C[C@H]([NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000423015501 1028127798 /nfs/dbraw/zinc/12/77/98/1028127798.db2.gz RGTVRTMWNIILSE-LRDDRELGSA-N 2 1 335.904 3.736 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC(C)C)cc1OC ZINC000502400181 1028192950 /nfs/dbraw/zinc/19/29/50/1028192950.db2.gz IFBZTLXUUYURFL-IEBWSBKVSA-N 2 1 348.531 3.653 20 0 EHADMP C[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414717987 1028194171 /nfs/dbraw/zinc/19/41/71/1028194171.db2.gz QMJHBNSSSLDKEA-DENIHFKCSA-N 2 1 337.511 3.905 20 0 EHADMP CCC[N@@H+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423107457 1028198304 /nfs/dbraw/zinc/19/83/04/1028198304.db2.gz PYBXNSITJZQUKR-ZZJWQFMZSA-N 2 1 335.923 3.596 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143053 1028229291 /nfs/dbraw/zinc/22/92/91/1028229291.db2.gz WFYJESNLFMYGAF-HBMCJLEFSA-N 2 1 329.532 3.538 20 0 EHADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423175781 1028243663 /nfs/dbraw/zinc/24/36/63/1028243663.db2.gz FCCQVHVBNXZMCT-USXIJHARSA-N 2 1 337.305 3.768 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423181061 1028251040 /nfs/dbraw/zinc/25/10/40/1028251040.db2.gz CDDPTFPASMSHRX-HZPDHXFCSA-N 2 1 331.891 3.997 20 0 EHADMP C[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423207026 1028253431 /nfs/dbraw/zinc/25/34/31/1028253431.db2.gz XOXDHMRVLMSTPX-QGZVFWFLSA-N 2 1 333.273 3.738 20 0 EHADMP [NH3+]CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000423196574 1028266011 /nfs/dbraw/zinc/26/60/11/1028266011.db2.gz VPLSMBXPCKLMRQ-INIZCTEOSA-N 2 1 340.801 3.969 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000246356432 1028277132 /nfs/dbraw/zinc/27/71/32/1028277132.db2.gz ICHDLVZHJNJENV-RTBURBONSA-N 3 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000246356432 1028277149 /nfs/dbraw/zinc/27/71/49/1028277149.db2.gz ICHDLVZHJNJENV-RTBURBONSA-N 3 1 340.515 3.891 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(C4CC4)c3)CC2)nc(C)[nH+]1 ZINC000421336515 1028302523 /nfs/dbraw/zinc/30/25/23/1028302523.db2.gz ACZKIHRHCCXWFO-UHFFFAOYSA-N 2 1 336.483 3.729 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CN)C2CCCCC2)CC1 ZINC000423257801 1028320495 /nfs/dbraw/zinc/32/04/95/1028320495.db2.gz AFYYHVCRNKNBOS-LZBANZJXSA-N 2 1 343.559 3.927 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000423257801 1028320507 /nfs/dbraw/zinc/32/05/07/1028320507.db2.gz AFYYHVCRNKNBOS-LZBANZJXSA-N 3 1 343.559 3.927 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000423257801 1028320521 /nfs/dbraw/zinc/32/05/21/1028320521.db2.gz AFYYHVCRNKNBOS-LZBANZJXSA-N 3 1 343.559 3.927 20 0 EHADMP COc1ccc(C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270675 1028334169 /nfs/dbraw/zinc/33/41/69/1028334169.db2.gz IJMLUTJTZQWUJS-RTWAWAEBSA-N 2 1 342.483 3.561 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421378779 1028337763 /nfs/dbraw/zinc/33/77/63/1028337763.db2.gz TUHWQOQFYXAKPN-QHAWAJNXSA-N 2 1 342.527 3.572 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCC3)cc1 ZINC000423275701 1028338731 /nfs/dbraw/zinc/33/87/31/1028338731.db2.gz NMHLSHRILBLTRX-CVEARBPZSA-N 2 1 345.512 3.769 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C3CC3)s2)cc1 ZINC000423278662 1028340318 /nfs/dbraw/zinc/34/03/18/1028340318.db2.gz QBUJUIHMTQRFML-BDJLRTHQSA-N 2 1 331.485 3.515 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423343077 1028358485 /nfs/dbraw/zinc/35/84/85/1028358485.db2.gz NLXSWUWNHAJCLB-IAQYHMDHSA-N 2 1 329.257 3.629 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000423352626 1028381845 /nfs/dbraw/zinc/38/18/45/1028381845.db2.gz AAVWZYZDZDVKID-FUHWJXTLSA-N 2 1 326.488 3.590 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000423386098 1028402554 /nfs/dbraw/zinc/40/25/54/1028402554.db2.gz RFEDKXLQRWBCIV-GYSYKLTISA-N 2 1 337.261 3.986 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000423386099 1028402877 /nfs/dbraw/zinc/40/28/77/1028402877.db2.gz RFEDKXLQRWBCIV-JTNHKYCSSA-N 2 1 337.261 3.986 20 0 EHADMP CC[C@@H](c1ccccc1Br)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511763 1028486648 /nfs/dbraw/zinc/48/66/48/1028486648.db2.gz OZNBKUQAEWRPIQ-UHOFOFEASA-N 2 1 325.294 3.817 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754157 1028551023 /nfs/dbraw/zinc/55/10/23/1028551023.db2.gz NJKBVUWAULEAEJ-IIYDPXPESA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754157 1028551027 /nfs/dbraw/zinc/55/10/27/1028551027.db2.gz NJKBVUWAULEAEJ-IIYDPXPESA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754157 1028551031 /nfs/dbraw/zinc/55/10/31/1028551031.db2.gz NJKBVUWAULEAEJ-IIYDPXPESA-N 2 1 332.879 3.741 20 0 EHADMP CCN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000502695462 1028563489 /nfs/dbraw/zinc/56/34/89/1028563489.db2.gz XCRRLIOMYKQMND-GIVPXCGWSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000502695462 1028563499 /nfs/dbraw/zinc/56/34/99/1028563499.db2.gz XCRRLIOMYKQMND-GIVPXCGWSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000502695462 1028563516 /nfs/dbraw/zinc/56/35/16/1028563516.db2.gz XCRRLIOMYKQMND-GIVPXCGWSA-N 2 1 329.532 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000237132327 1028616056 /nfs/dbraw/zinc/61/60/56/1028616056.db2.gz UZZVYPVTSBRSHP-QFIPXVFZSA-N 2 1 340.511 3.642 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000246522054 1028653123 /nfs/dbraw/zinc/65/31/23/1028653123.db2.gz URJSLNJMPUKUMY-WMLDXEAASA-N 2 1 329.513 3.733 20 0 EHADMP COc1cccc2c(N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc(C)[nH+]c12 ZINC000535918061 1028665253 /nfs/dbraw/zinc/66/52/53/1028665253.db2.gz JVCHRYLFQCKUTE-QGZVFWFLSA-N 2 1 339.483 3.720 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414763627 1028670298 /nfs/dbraw/zinc/67/02/98/1028670298.db2.gz CVJJITJTQUNACA-PXVOHILASA-N 2 1 348.490 3.820 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414763627 1028670307 /nfs/dbraw/zinc/67/03/07/1028670307.db2.gz CVJJITJTQUNACA-PXVOHILASA-N 2 1 348.490 3.820 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001168266029 1028691395 /nfs/dbraw/zinc/69/13/95/1028691395.db2.gz AAGYXLPLVGCQNP-HXUWFJFHSA-N 2 1 340.511 3.503 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001168266029 1028691402 /nfs/dbraw/zinc/69/14/02/1028691402.db2.gz AAGYXLPLVGCQNP-HXUWFJFHSA-N 2 1 340.511 3.503 20 0 EHADMP C[C@@H](CCc1cccn1C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122614071 1028691508 /nfs/dbraw/zinc/69/15/08/1028691508.db2.gz NVAARRLRMDFXDX-IBGZPJMESA-N 2 1 339.527 3.643 20 0 EHADMP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414766874 1028695508 /nfs/dbraw/zinc/69/55/08/1028695508.db2.gz IPUJOLJICWYUTC-BGYRXZFFSA-N 2 1 336.479 3.794 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)c1 ZINC000246841358 1028703045 /nfs/dbraw/zinc/70/30/45/1028703045.db2.gz CESNNDQXPCXURX-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP Clc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000122727561 1028722687 /nfs/dbraw/zinc/72/26/87/1028722687.db2.gz CDVBJQKBAXPICL-UHFFFAOYSA-N 2 1 343.902 3.574 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414777124 1028869421 /nfs/dbraw/zinc/86/94/21/1028869421.db2.gz XQLQIFSEQAUNED-USDPXSSVSA-N 2 1 348.490 3.963 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414777124 1028869436 /nfs/dbraw/zinc/86/94/36/1028869436.db2.gz XQLQIFSEQAUNED-USDPXSSVSA-N 2 1 348.490 3.963 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000421849286 1028874368 /nfs/dbraw/zinc/87/43/68/1028874368.db2.gz BNDDCEKFQGQFBD-LMYCIYFBSA-N 2 1 342.527 3.977 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000421875380 1028878484 /nfs/dbraw/zinc/87/84/84/1028878484.db2.gz JUHVZQITJOYIKG-TVQOGVASSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000421875380 1028878499 /nfs/dbraw/zinc/87/84/99/1028878499.db2.gz JUHVZQITJOYIKG-TVQOGVASSA-N 2 1 341.543 3.644 20 0 EHADMP c1csc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000248402807 1028893652 /nfs/dbraw/zinc/89/36/52/1028893652.db2.gz NTYREDRZIDVDGO-GBESFXJTSA-N 2 1 341.524 3.576 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccs1 ZINC000248429694 1028900520 /nfs/dbraw/zinc/90/05/20/1028900520.db2.gz BHMMVJQSMYQGTA-MSOLQXFVSA-N 2 1 330.497 3.556 20 0 EHADMP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000248443659 1028902660 /nfs/dbraw/zinc/90/26/60/1028902660.db2.gz LPBXUIPOGNJFKQ-ARFHVFGLSA-N 2 1 342.487 3.525 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245664302 1028987162 /nfs/dbraw/zinc/98/71/62/1028987162.db2.gz GIKCSTBDZBWDMF-YUMYIRISSA-N 2 1 344.543 3.816 20 0 EHADMP c1csc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414781635 1028987269 /nfs/dbraw/zinc/98/72/69/1028987269.db2.gz NISPHIYARGLSNC-UONOGXRCSA-N 2 1 333.526 3.693 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)CC[NH2+]1 ZINC000841008705 1028998775 /nfs/dbraw/zinc/99/87/75/1028998775.db2.gz AIOKAWVCKXSYTQ-NEWSRXKRSA-N 2 1 344.524 3.672 20 0 EHADMP c1sc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787619 1029059917 /nfs/dbraw/zinc/05/99/17/1029059917.db2.gz VPUCFHJQSOHAOP-SJORKVTESA-N 2 1 327.497 3.632 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117352 1029063321 /nfs/dbraw/zinc/06/33/21/1029063321.db2.gz ZSWVPKFMYYUTFV-IRXDYDNUSA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117352 1029063338 /nfs/dbraw/zinc/06/33/38/1029063338.db2.gz ZSWVPKFMYYUTFV-IRXDYDNUSA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117352 1029063354 /nfs/dbraw/zinc/06/33/54/1029063354.db2.gz ZSWVPKFMYYUTFV-IRXDYDNUSA-N 2 1 336.907 3.915 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000459363234 1029140982 /nfs/dbraw/zinc/14/09/82/1029140982.db2.gz YWYODWNHIHPEQW-UHFFFAOYSA-N 2 1 348.288 3.784 20 0 EHADMP Cn1cncc1CC[N@@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC000459394814 1029163428 /nfs/dbraw/zinc/16/34/28/1029163428.db2.gz HMUKMDNYCXXYNN-IBGZPJMESA-N 2 1 341.499 3.811 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271873026 1029209626 /nfs/dbraw/zinc/20/96/26/1029209626.db2.gz QTWNRTZUEZDFDY-SNVBAGLBSA-N 2 1 328.287 3.853 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271873025 1029211366 /nfs/dbraw/zinc/21/13/66/1029211366.db2.gz QTWNRTZUEZDFDY-JTQLQIEISA-N 2 1 328.287 3.853 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414813219 1029329306 /nfs/dbraw/zinc/32/93/06/1029329306.db2.gz SROAJUIMUIXPRA-UHFFFAOYSA-N 2 1 340.393 3.703 20 0 EHADMP CC(C)[N@H+]1CCc2nc(CNc3ccc([C@@H](C)[NH3+])cc3)sc2C1 ZINC000414814846 1029339955 /nfs/dbraw/zinc/33/99/55/1029339955.db2.gz SNBDFUFQMUMUIC-CYBMUJFWSA-N 2 1 330.501 3.541 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000583269827 1029482136 /nfs/dbraw/zinc/48/21/36/1029482136.db2.gz FNILCMGSQJAQGF-ICSRJNTNSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000583269827 1029482149 /nfs/dbraw/zinc/48/21/49/1029482149.db2.gz FNILCMGSQJAQGF-ICSRJNTNSA-N 2 1 330.422 3.932 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261768508 1029501375 /nfs/dbraw/zinc/50/13/75/1029501375.db2.gz DMXPYHTZUGCTIN-OAHLLOKOSA-N 2 1 330.422 3.767 20 0 EHADMP CC(C)([NH3+])C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000261928455 1029533137 /nfs/dbraw/zinc/53/31/37/1029533137.db2.gz LFZYBOIMCVWHAX-UHFFFAOYSA-N 2 1 331.287 3.712 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000246008683 1029566729 /nfs/dbraw/zinc/56/67/29/1029566729.db2.gz KQJPBUCAURWCHE-CVEARBPZSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000246008683 1029566734 /nfs/dbraw/zinc/56/67/34/1029566734.db2.gz KQJPBUCAURWCHE-CVEARBPZSA-N 2 1 334.508 3.670 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H](C)C1 ZINC000126021155 1029652075 /nfs/dbraw/zinc/65/20/75/1029652075.db2.gz FNBGDRPEONXGIN-UZLBHIALSA-N 2 1 343.515 3.635 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H](C)C1 ZINC000126021155 1029652080 /nfs/dbraw/zinc/65/20/80/1029652080.db2.gz FNBGDRPEONXGIN-UZLBHIALSA-N 2 1 343.515 3.635 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)CC[NH+](C)C)c1 ZINC001625982833 1029663626 /nfs/dbraw/zinc/66/36/26/1029663626.db2.gz SBXOSRGBZJMPRM-INIZCTEOSA-N 2 1 342.487 3.581 20 0 EHADMP C[C@H](Nc1ccc2c(c1)ncn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696263 1029741556 /nfs/dbraw/zinc/74/15/56/1029741556.db2.gz HBUHTGHCDOMCBL-FUHWJXTLSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508696263 1029741561 /nfs/dbraw/zinc/74/15/61/1029741561.db2.gz HBUHTGHCDOMCBL-FUHWJXTLSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696263 1029741567 /nfs/dbraw/zinc/74/15/67/1029741567.db2.gz HBUHTGHCDOMCBL-FUHWJXTLSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508692381 1029746653 /nfs/dbraw/zinc/74/66/53/1029746653.db2.gz VRWCXZZBZWIEGK-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692381 1029746659 /nfs/dbraw/zinc/74/66/59/1029746659.db2.gz VRWCXZZBZWIEGK-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692381 1029746664 /nfs/dbraw/zinc/74/66/64/1029746664.db2.gz VRWCXZZBZWIEGK-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709582 1029770884 /nfs/dbraw/zinc/77/08/84/1029770884.db2.gz IEOQKCBVMBFQMD-FXAWDEMLSA-N 2 1 326.459 3.868 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1Br ZINC000635013141 1029968360 /nfs/dbraw/zinc/96/83/60/1029968360.db2.gz RAMAWLJAFDLAKT-DLBZAZTESA-N 2 1 331.257 3.992 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)CC)cc3)C2)CC1 ZINC000509698424 1029973048 /nfs/dbraw/zinc/97/30/48/1029973048.db2.gz NXDMHYBBRTZDDD-NRFANRHFSA-N 2 1 343.559 3.586 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000453254737 1029986260 /nfs/dbraw/zinc/98/62/60/1029986260.db2.gz RIAATAIHKKWWSR-CBQOVEMMSA-N 2 1 344.543 3.833 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453278947 1030019894 /nfs/dbraw/zinc/01/98/94/1030019894.db2.gz DILFQCHBTCXTND-GFOJFJKKSA-N 2 1 330.516 3.570 20 0 EHADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667969985 1030064146 /nfs/dbraw/zinc/06/41/46/1030064146.db2.gz ZHIDXMLSFXTJKC-HRAATJIYSA-N 2 1 348.450 3.859 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769351 1030068194 /nfs/dbraw/zinc/06/81/94/1030068194.db2.gz ZRPAMJHYANCRDP-SFTDATJTSA-N 2 1 342.527 3.978 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769351 1030068208 /nfs/dbraw/zinc/06/82/08/1030068208.db2.gz ZRPAMJHYANCRDP-SFTDATJTSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453323960 1030104746 /nfs/dbraw/zinc/10/47/46/1030104746.db2.gz KFSXCEVDNOIVIR-YPAWHYETSA-N 2 1 335.495 3.923 20 0 EHADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000556050912 1030109138 /nfs/dbraw/zinc/10/91/38/1030109138.db2.gz QMQYBLWQBRGOKH-ACRUOGEOSA-N 2 1 329.532 3.532 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CC2)[C@@H](C)C1 ZINC000481934510 1030129220 /nfs/dbraw/zinc/12/92/20/1030129220.db2.gz UQBXEIUJAPDLPG-FPOVZHCZSA-N 2 1 344.543 3.753 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000090585872 1030139758 /nfs/dbraw/zinc/13/97/58/1030139758.db2.gz ICHDLVZHJNJENV-RBUKOAKNSA-N 3 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000090585872 1030139762 /nfs/dbraw/zinc/13/97/62/1030139762.db2.gz ICHDLVZHJNJENV-RBUKOAKNSA-N 3 1 340.515 3.891 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453350333 1030140433 /nfs/dbraw/zinc/14/04/33/1030140433.db2.gz GVUXQGCBGYLIBK-HLAWJBBLSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000453350333 1030140442 /nfs/dbraw/zinc/14/04/42/1030140442.db2.gz GVUXQGCBGYLIBK-HLAWJBBLSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350333 1030140453 /nfs/dbraw/zinc/14/04/53/1030140453.db2.gz GVUXQGCBGYLIBK-HLAWJBBLSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350333 1030140462 /nfs/dbraw/zinc/14/04/62/1030140462.db2.gz GVUXQGCBGYLIBK-HLAWJBBLSA-N 2 1 328.500 3.542 20 0 EHADMP CCCCOCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121002366 1030156374 /nfs/dbraw/zinc/15/63/74/1030156374.db2.gz RDWXFNSPOYIIDW-UHFFFAOYSA-N 2 1 348.535 3.591 20 0 EHADMP CCCCOCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121002366 1030156377 /nfs/dbraw/zinc/15/63/77/1030156377.db2.gz RDWXFNSPOYIIDW-UHFFFAOYSA-N 2 1 348.535 3.591 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCc4ccccc4N3)CC[NH2+]2)cc1 ZINC000650721165 1030184776 /nfs/dbraw/zinc/18/47/76/1030184776.db2.gz SVNNUIAUTUBBAS-ONTIZHBOSA-N 2 1 335.495 3.886 20 0 EHADMP COC1CCC(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000531979609 1030195899 /nfs/dbraw/zinc/19/58/99/1030195899.db2.gz RRVOVJIKTHAEMX-UHFFFAOYSA-N 2 1 348.506 3.627 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C)c1OC ZINC000583586612 1030210456 /nfs/dbraw/zinc/21/04/56/1030210456.db2.gz AVEYRURJBFQRAW-UHFFFAOYSA-N 2 1 346.515 3.756 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000453405375 1030214354 /nfs/dbraw/zinc/21/43/54/1030214354.db2.gz QKHJYKBDTOAIGB-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000453405375 1030214374 /nfs/dbraw/zinc/21/43/74/1030214374.db2.gz QKHJYKBDTOAIGB-UYAOXDASSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000453405375 1030214386 /nfs/dbraw/zinc/21/43/86/1030214386.db2.gz QKHJYKBDTOAIGB-UYAOXDASSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405375 1030214408 /nfs/dbraw/zinc/21/44/08/1030214408.db2.gz QKHJYKBDTOAIGB-UYAOXDASSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405375 1030214434 /nfs/dbraw/zinc/21/44/34/1030214434.db2.gz QKHJYKBDTOAIGB-UYAOXDASSA-N 3 1 329.532 3.504 20 0 EHADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCC[NH+]1C ZINC000121235678 1030219144 /nfs/dbraw/zinc/21/91/44/1030219144.db2.gz SGXBVWJRNDHFNP-IBGZPJMESA-N 2 1 344.478 3.565 20 0 EHADMP C[NH+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCC[N@@H+]1C ZINC000121235678 1030219163 /nfs/dbraw/zinc/21/91/63/1030219163.db2.gz SGXBVWJRNDHFNP-IBGZPJMESA-N 2 1 344.478 3.565 20 0 EHADMP CCc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482155184 1030231775 /nfs/dbraw/zinc/23/17/75/1030231775.db2.gz HOCNJZSEKABONG-MOPGFXCFSA-N 2 1 345.531 3.678 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000531992078 1030243125 /nfs/dbraw/zinc/24/31/25/1030243125.db2.gz QPXMGBGQUSGGFZ-ABSDTBQOSA-N 2 1 340.515 3.814 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000531992078 1030243144 /nfs/dbraw/zinc/24/31/44/1030243144.db2.gz QPXMGBGQUSGGFZ-ABSDTBQOSA-N 2 1 340.515 3.814 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000482170658 1030243566 /nfs/dbraw/zinc/24/35/66/1030243566.db2.gz PFTUIXZFXHTHFQ-GOSISDBHSA-N 2 1 330.516 3.656 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447544381 1030278223 /nfs/dbraw/zinc/27/82/23/1030278223.db2.gz URFHYOKVODECRX-FGZHOGPDSA-N 2 1 343.559 3.878 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000447579474 1030343593 /nfs/dbraw/zinc/34/35/93/1030343593.db2.gz KUMGIRLPTBHOAM-HRCADAONSA-N 2 1 348.487 3.605 20 0 EHADMP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603968 1030359133 /nfs/dbraw/zinc/35/91/33/1030359133.db2.gz YAJAZQVXVRIUHM-YRPNKDGESA-N 2 1 342.508 3.567 20 0 EHADMP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603968 1030359144 /nfs/dbraw/zinc/35/91/44/1030359144.db2.gz YAJAZQVXVRIUHM-YRPNKDGESA-N 2 1 342.508 3.567 20 0 EHADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)sc1Br ZINC000453593018 1030383838 /nfs/dbraw/zinc/38/38/38/1030383838.db2.gz GBEFAUSKBRKNBS-UHFFFAOYSA-N 2 1 331.323 3.783 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532211815 1030480475 /nfs/dbraw/zinc/48/04/75/1030480475.db2.gz KIIQNVFURJZOGG-OXQOHEQNSA-N 2 1 343.515 3.635 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532211815 1030480484 /nfs/dbraw/zinc/48/04/84/1030480484.db2.gz KIIQNVFURJZOGG-OXQOHEQNSA-N 2 1 343.515 3.635 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000532209072 1030495388 /nfs/dbraw/zinc/49/53/88/1030495388.db2.gz SBLOJGZEYNPVQB-KSSFIOAISA-N 2 1 329.513 3.938 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000643457259 1030619680 /nfs/dbraw/zinc/61/96/80/1030619680.db2.gz NWHVRHMXYSFDIM-YZGWKJHDSA-N 2 1 326.488 3.525 20 0 EHADMP C[C@H](Cc1ccsc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000527240603 1030731858 /nfs/dbraw/zinc/73/18/58/1030731858.db2.gz JOPVPNYGYWHXNE-AHRSYUTCSA-N 2 1 326.509 3.743 20 0 EHADMP C[C@H](Cc1ccsc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000527240603 1030731867 /nfs/dbraw/zinc/73/18/67/1030731867.db2.gz JOPVPNYGYWHXNE-AHRSYUTCSA-N 2 1 326.509 3.743 20 0 EHADMP C[C@H](Cc1ccsc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000527240603 1030731881 /nfs/dbraw/zinc/73/18/81/1030731881.db2.gz JOPVPNYGYWHXNE-AHRSYUTCSA-N 2 1 326.509 3.743 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881977 1030757751 /nfs/dbraw/zinc/75/77/51/1030757751.db2.gz GAJBLMNFSLYYBN-RTWAWAEBSA-N 2 1 344.543 3.939 20 0 EHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000482884839 1030780020 /nfs/dbraw/zinc/78/00/20/1030780020.db2.gz FYMKFYHQMKTPHZ-WIYYLYMNSA-N 2 1 332.532 3.773 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(Oc4ccc(F)cc4)nc3)C2)C1 ZINC000668188731 1030892024 /nfs/dbraw/zinc/89/20/24/1030892024.db2.gz NBPNXWOKQDPDED-HXUWFJFHSA-N 2 1 341.430 3.541 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000157896783 1030933396 /nfs/dbraw/zinc/93/33/96/1030933396.db2.gz KLYBDKWBMUMVSJ-MSOLQXFVSA-N 2 1 341.503 3.573 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000551050128 1030980442 /nfs/dbraw/zinc/98/04/42/1030980442.db2.gz FLQQLEBDVDLTPA-DYESRHJHSA-N 2 1 336.479 3.805 20 0 EHADMP COc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000657803212 1031045827 /nfs/dbraw/zinc/04/58/27/1031045827.db2.gz KMROYTNWPBVNOY-UHFFFAOYSA-N 2 1 338.495 3.800 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(Br)c(F)c2F)[C@@H](C)C1 ZINC000527665603 1031090390 /nfs/dbraw/zinc/09/03/90/1031090390.db2.gz GRYJCGCPZGPYIM-GXFFZTMASA-N 2 1 347.247 3.547 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527658562 1031117881 /nfs/dbraw/zinc/11/78/81/1031117881.db2.gz XBJHRTKANHZQKE-VSKRKVRLSA-N 2 1 344.543 3.929 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527725439 1031152666 /nfs/dbraw/zinc/15/26/66/1031152666.db2.gz UCPDWCQPOAIHRX-VQTJNVASSA-N 2 1 330.516 3.539 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccncc3)CC2)cs1 ZINC000174077063 1031162808 /nfs/dbraw/zinc/16/28/08/1031162808.db2.gz MJBKCZUCOSGOIZ-OAHLLOKOSA-N 2 1 344.528 3.663 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491906 1031183353 /nfs/dbraw/zinc/18/33/53/1031183353.db2.gz SBDTWICWYQFRKW-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491906 1031183357 /nfs/dbraw/zinc/18/33/57/1031183357.db2.gz SBDTWICWYQFRKW-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491906 1031183367 /nfs/dbraw/zinc/18/33/67/1031183367.db2.gz SBDTWICWYQFRKW-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491906 1031183374 /nfs/dbraw/zinc/18/33/74/1031183374.db2.gz SBDTWICWYQFRKW-CZUORRHYSA-N 2 1 343.298 3.788 20 0 EHADMP COc1c(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000537698686 1031183849 /nfs/dbraw/zinc/18/38/49/1031183849.db2.gz WEDPADWDNIXKHT-ICSRJNTNSA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698686 1031183856 /nfs/dbraw/zinc/18/38/56/1031183856.db2.gz WEDPADWDNIXKHT-ICSRJNTNSA-N 2 1 328.500 3.761 20 0 EHADMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698686 1031183865 /nfs/dbraw/zinc/18/38/65/1031183865.db2.gz WEDPADWDNIXKHT-ICSRJNTNSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000527738963 1031191063 /nfs/dbraw/zinc/19/10/63/1031191063.db2.gz LTSIPLGGMJROMM-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000527738963 1031191066 /nfs/dbraw/zinc/19/10/66/1031191066.db2.gz LTSIPLGGMJROMM-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803209 1031275256 /nfs/dbraw/zinc/27/52/56/1031275256.db2.gz DIEMSMNETAQZKK-FPPGBKCQSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803209 1031275266 /nfs/dbraw/zinc/27/52/66/1031275266.db2.gz DIEMSMNETAQZKK-FPPGBKCQSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@@H+]1C ZINC000483743162 1031312079 /nfs/dbraw/zinc/31/20/79/1031312079.db2.gz MXXNHZHRAAXWPE-RSAASHCRSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@H+]1C ZINC000483743162 1031312095 /nfs/dbraw/zinc/31/20/95/1031312095.db2.gz MXXNHZHRAAXWPE-RSAASHCRSA-N 2 1 341.268 3.648 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000483727724 1031314888 /nfs/dbraw/zinc/31/48/88/1031314888.db2.gz LFKQAUHQTIJTRH-KNQAVFIVSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000483727724 1031314903 /nfs/dbraw/zinc/31/49/03/1031314903.db2.gz LFKQAUHQTIJTRH-KNQAVFIVSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000483727721 1031315085 /nfs/dbraw/zinc/31/50/85/1031315085.db2.gz LFKQAUHQTIJTRH-DENIHFKCSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000483727721 1031315094 /nfs/dbraw/zinc/31/50/94/1031315094.db2.gz LFKQAUHQTIJTRH-DENIHFKCSA-N 3 1 343.559 3.609 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527858288 1031335345 /nfs/dbraw/zinc/33/53/45/1031335345.db2.gz JIFGECGLWWSBIZ-HOTGVXAUSA-N 2 1 337.471 3.579 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549347 1031337020 /nfs/dbraw/zinc/33/70/20/1031337020.db2.gz VQBAGFMWIMTFEO-ZLGUVYLKSA-N 2 1 342.458 3.502 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CC34CC4)CC2)cs1 ZINC000527859165 1031338948 /nfs/dbraw/zinc/33/89/48/1031338948.db2.gz DCPPQPQVILQSNB-PBHICJAKSA-N 2 1 333.545 3.696 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000527923782 1031414950 /nfs/dbraw/zinc/41/49/50/1031414950.db2.gz GHJYTTIXZNBFCW-LRSLUSHPSA-N 2 1 342.527 3.836 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Br)c1 ZINC000584021419 1031483504 /nfs/dbraw/zinc/48/35/04/1031483504.db2.gz UDDPTDRMFROEIE-UHFFFAOYSA-N 2 1 343.309 3.621 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Br)c1 ZINC000584021419 1031483516 /nfs/dbraw/zinc/48/35/16/1031483516.db2.gz UDDPTDRMFROEIE-UHFFFAOYSA-N 2 1 343.309 3.621 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000527929248 1031491233 /nfs/dbraw/zinc/49/12/33/1031491233.db2.gz PHGVHHXPNUALAM-CMOCDZPBSA-N 2 1 342.527 3.693 20 0 EHADMP COCCC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000527935665 1031500673 /nfs/dbraw/zinc/50/06/73/1031500673.db2.gz NVEULETVRONOHH-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP COCCC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000527935665 1031500689 /nfs/dbraw/zinc/50/06/89/1031500689.db2.gz NVEULETVRONOHH-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000484280289 1031510015 /nfs/dbraw/zinc/51/00/15/1031510015.db2.gz IGXZIRKDQJSZNX-FRFSOERESA-N 2 1 344.421 3.793 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000158647863 1031514374 /nfs/dbraw/zinc/51/43/74/1031514374.db2.gz WHQAJLOEEFJHRY-ZACQAIPSSA-N 2 1 331.504 3.664 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000179109122 1031752909 /nfs/dbraw/zinc/75/29/09/1031752909.db2.gz NFQCSPGSPYHIAD-QRWLVFNGSA-N 2 1 339.483 3.820 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1OCc1ccccc1 ZINC000459399622 1032036080 /nfs/dbraw/zinc/03/60/80/1032036080.db2.gz VRYHIWWTONIPNQ-QGZVFWFLSA-N 2 1 335.451 3.892 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000608061222 1033454759 /nfs/dbraw/zinc/45/47/59/1033454759.db2.gz HYLKUQPFMKLFGQ-APWZRJJASA-N 2 1 342.458 3.977 20 0 EHADMP CCN(Cc1oc(C)nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685565588 1033568530 /nfs/dbraw/zinc/56/85/30/1033568530.db2.gz IOZVFDPQWNZZEN-IBGZPJMESA-N 2 1 327.472 3.635 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1(C)C ZINC000598975341 1033622888 /nfs/dbraw/zinc/62/28/88/1033622888.db2.gz XGWGSHKIHQTYEA-KRWDZBQOSA-N 2 1 332.488 3.604 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1(C)C ZINC000598975341 1033622895 /nfs/dbraw/zinc/62/28/95/1033622895.db2.gz XGWGSHKIHQTYEA-KRWDZBQOSA-N 2 1 332.488 3.604 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1 ZINC000595071245 1033646814 /nfs/dbraw/zinc/64/68/14/1033646814.db2.gz QATMGGLVKNFRTO-WUIOEGJCSA-N 2 1 345.512 3.521 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2COC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000657931827 1033675484 /nfs/dbraw/zinc/67/54/84/1033675484.db2.gz JFLQLDKIMLGQNF-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168305780 1033747861 /nfs/dbraw/zinc/74/78/61/1033747861.db2.gz MRYPFFUPXNAUDP-OFVLBHHSSA-N 3 1 347.522 3.770 20 0 EHADMP c1c2ccccc2sc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655770560 1033800652 /nfs/dbraw/zinc/80/06/52/1033800652.db2.gz LDXLDHVWNKMNJV-GOSISDBHSA-N 2 1 344.524 3.677 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000658065286 1033887420 /nfs/dbraw/zinc/88/74/20/1033887420.db2.gz WIQVDIRHYSCIEZ-ZIBCJSCZSA-N 2 1 335.495 3.970 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658139103 1034001578 /nfs/dbraw/zinc/00/15/78/1034001578.db2.gz KVGAUJPJMQPZJL-NQIIRXRSSA-N 2 1 338.495 3.721 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1F ZINC000658138375 1034001678 /nfs/dbraw/zinc/00/16/78/1034001678.db2.gz MNZLJORESVYDEX-WIYYLYMNSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658236632 1034105599 /nfs/dbraw/zinc/10/55/99/1034105599.db2.gz KCOPZFHPWHSBGE-XWFZLUIHSA-N 2 1 336.479 3.880 20 0 EHADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001168323689 1034119315 /nfs/dbraw/zinc/11/93/15/1034119315.db2.gz AWPWTWAJZMLLOJ-XDTATTDVSA-N 2 1 330.516 3.865 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319758 1034196417 /nfs/dbraw/zinc/19/64/17/1034196417.db2.gz IFMZGXVTZIZKAL-QFBILLFUSA-N 2 1 338.499 3.671 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@H]1c1ccccc1 ZINC000340310142 1034491668 /nfs/dbraw/zinc/49/16/68/1034491668.db2.gz QNQKIDBLVSWFRO-QUCCMNQESA-N 2 1 334.467 3.531 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@H]1c1ccccc1 ZINC000340310142 1034491677 /nfs/dbraw/zinc/49/16/77/1034491677.db2.gz QNQKIDBLVSWFRO-QUCCMNQESA-N 2 1 334.467 3.531 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375861958 1034756615 /nfs/dbraw/zinc/75/66/15/1034756615.db2.gz PWPROIOBFVWUCI-TWGBQZSLSA-N 2 1 342.527 3.925 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)cc1 ZINC000605519237 1034773822 /nfs/dbraw/zinc/77/38/22/1034773822.db2.gz CEEPIKJIAAXJIN-HXUWFJFHSA-N 2 1 345.531 3.523 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CCCC4)C2)cc1 ZINC000390646631 1034823821 /nfs/dbraw/zinc/82/38/21/1034823821.db2.gz MIZHMPCYUSFWMT-LEWJYISDSA-N 2 1 342.527 3.980 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CCCC4)C2)cc1 ZINC000390646631 1034823838 /nfs/dbraw/zinc/82/38/38/1034823838.db2.gz MIZHMPCYUSFWMT-LEWJYISDSA-N 2 1 342.527 3.980 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000570192874 1035118076 /nfs/dbraw/zinc/11/80/76/1035118076.db2.gz OPKVFXXHIDFXJU-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000570192874 1035118078 /nfs/dbraw/zinc/11/80/78/1035118078.db2.gz OPKVFXXHIDFXJU-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000570192874 1035118081 /nfs/dbraw/zinc/11/80/81/1035118081.db2.gz OPKVFXXHIDFXJU-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC[C@H]1[NH3+] ZINC000647497436 1035343499 /nfs/dbraw/zinc/34/34/99/1035343499.db2.gz HTXWALJHOILVEU-HNAYVOBHSA-N 2 1 346.906 3.702 20 0 EHADMP COC[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548992731 1035408122 /nfs/dbraw/zinc/40/81/22/1035408122.db2.gz BDIWRCQVVHJOPE-GYISXVGNSA-N 2 1 336.907 3.878 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414062205 1035423101 /nfs/dbraw/zinc/42/31/01/1035423101.db2.gz KZRLZIKIFWEFTO-MRXNPFEDSA-N 2 1 326.488 3.522 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000429781892 1035518153 /nfs/dbraw/zinc/51/81/53/1035518153.db2.gz FIYUYJWRXVEXMF-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000429781892 1035518160 /nfs/dbraw/zinc/51/81/60/1035518160.db2.gz FIYUYJWRXVEXMF-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000429781892 1035518165 /nfs/dbraw/zinc/51/81/65/1035518165.db2.gz FIYUYJWRXVEXMF-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414108193 1035528679 /nfs/dbraw/zinc/52/86/79/1035528679.db2.gz ZWLBSTGAKLGZMG-KSZLIROESA-N 2 1 334.504 3.544 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414108192 1035529959 /nfs/dbraw/zinc/52/99/59/1035529959.db2.gz ZWLBSTGAKLGZMG-FGTMMUONSA-N 2 1 334.504 3.544 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)[nH+]c1 ZINC000414129811 1035662440 /nfs/dbraw/zinc/66/24/40/1035662440.db2.gz VLSSNLTVKVJTIX-MSOLQXFVSA-N 2 1 345.531 3.931 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000414183916 1035942037 /nfs/dbraw/zinc/94/20/37/1035942037.db2.gz OATXSAJMUQFXQN-IRXDYDNUSA-N 2 1 334.504 3.867 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000414188491 1035957025 /nfs/dbraw/zinc/95/70/25/1035957025.db2.gz QHWVUHGYPLQKQD-QAPCUYQASA-N 2 1 334.529 3.944 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000572157459 1035990785 /nfs/dbraw/zinc/99/07/85/1035990785.db2.gz WTOPCWHEGLGOFX-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000572157459 1035990794 /nfs/dbraw/zinc/99/07/94/1035990794.db2.gz WTOPCWHEGLGOFX-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000414200629 1036022831 /nfs/dbraw/zinc/02/28/31/1036022831.db2.gz XMRHUUUXSXAUFU-OXQOHEQNSA-N 2 1 327.447 3.632 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000414231548 1036188424 /nfs/dbraw/zinc/18/84/24/1036188424.db2.gz PJKOMQRRJUCWHQ-IERDGZPVSA-N 2 1 348.506 3.626 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nc1 ZINC000892573737 1036211599 /nfs/dbraw/zinc/21/15/99/1036211599.db2.gz DZZYWIIVZROXBP-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206537 1036310126 /nfs/dbraw/zinc/31/01/26/1036310126.db2.gz RAPHPLFIEWANFE-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206537 1036310145 /nfs/dbraw/zinc/31/01/45/1036310145.db2.gz RAPHPLFIEWANFE-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206537 1036310160 /nfs/dbraw/zinc/31/01/60/1036310160.db2.gz RAPHPLFIEWANFE-OALUTQOASA-N 2 1 344.499 3.558 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCc3ccncc3)C2)s1 ZINC000572885453 1036526497 /nfs/dbraw/zinc/52/64/97/1036526497.db2.gz BIGJZLYJNQJXTN-LJQANCHMSA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCc3ccncc3)C2)s1 ZINC000572885453 1036526501 /nfs/dbraw/zinc/52/65/01/1036526501.db2.gz BIGJZLYJNQJXTN-LJQANCHMSA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCc3ccncc3)C2)s1 ZINC000572885453 1036526504 /nfs/dbraw/zinc/52/65/04/1036526504.db2.gz BIGJZLYJNQJXTN-LJQANCHMSA-N 2 1 343.540 3.838 20 0 EHADMP CC1CC[NH+]([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000192713795 1036542713 /nfs/dbraw/zinc/54/27/13/1036542713.db2.gz HKBLSBQKLZJKCT-KBRMVUAJSA-N 2 1 341.543 3.674 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168393183 1036583429 /nfs/dbraw/zinc/58/34/29/1036583429.db2.gz YXKROMLEJBCFFK-HXUWFJFHSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168393183 1036583444 /nfs/dbraw/zinc/58/34/44/1036583444.db2.gz YXKROMLEJBCFFK-HXUWFJFHSA-N 2 1 328.500 3.713 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccnc1 ZINC000541744786 1036613151 /nfs/dbraw/zinc/61/31/51/1036613151.db2.gz NWDVRJDQFQBNEN-OAQYLSRUSA-N 2 1 339.483 3.545 20 0 EHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000414326074 1036684479 /nfs/dbraw/zinc/68/44/79/1036684479.db2.gz AGLGOOAZWHSIBO-PVIWCNJMSA-N 2 1 342.527 3.570 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000493128658 1036750631 /nfs/dbraw/zinc/75/06/31/1036750631.db2.gz KMJSMVYYAFNLBJ-YUKKFIBKSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000493128658 1036750649 /nfs/dbraw/zinc/75/06/49/1036750649.db2.gz KMJSMVYYAFNLBJ-YUKKFIBKSA-N 2 1 330.516 3.975 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541917707 1036840452 /nfs/dbraw/zinc/84/04/52/1036840452.db2.gz WHFJJTNQIOUBAY-RXVVDRJESA-N 2 1 330.516 3.868 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000539509712 1036850830 /nfs/dbraw/zinc/85/08/30/1036850830.db2.gz YYLZLGOERSDFJA-PWRODBHTSA-N 2 1 342.527 3.964 20 0 EHADMP Cc1cccc(OCC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464837633 1036851989 /nfs/dbraw/zinc/85/19/89/1036851989.db2.gz MARYAIQAMKCUHZ-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1cccc(OCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464837633 1036852006 /nfs/dbraw/zinc/85/20/06/1036852006.db2.gz MARYAIQAMKCUHZ-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1cccc(OCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464837633 1036852019 /nfs/dbraw/zinc/85/20/19/1036852019.db2.gz MARYAIQAMKCUHZ-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000539546124 1036900533 /nfs/dbraw/zinc/90/05/33/1036900533.db2.gz GFZKVFWMPITIHL-NRFANRHFSA-N 2 1 343.515 3.747 20 0 EHADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994653 1036937711 /nfs/dbraw/zinc/93/77/11/1036937711.db2.gz TXTJEYPFISFATE-QIJUGHKUSA-N 2 1 338.495 3.874 20 0 EHADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994653 1036937730 /nfs/dbraw/zinc/93/77/30/1036937730.db2.gz TXTJEYPFISFATE-QIJUGHKUSA-N 2 1 338.495 3.874 20 0 EHADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311002926 1036940381 /nfs/dbraw/zinc/94/03/81/1036940381.db2.gz VOAMIEZCDLJICK-RXVVDRJESA-N 2 1 338.495 3.738 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000311074225 1036953648 /nfs/dbraw/zinc/95/36/48/1036953648.db2.gz ZTLFZXGQXIZWFQ-NHCUHLMSSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000311074225 1036953660 /nfs/dbraw/zinc/95/36/60/1036953660.db2.gz ZTLFZXGQXIZWFQ-NHCUHLMSSA-N 2 1 336.479 3.982 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000542011870 1036973614 /nfs/dbraw/zinc/97/36/14/1036973614.db2.gz BTMUXUCFSIZTLZ-UHFFFAOYSA-N 2 1 349.494 3.598 20 0 EHADMP CS[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](SC)C3)c2)C1 ZINC000590750057 1037025733 /nfs/dbraw/zinc/02/57/33/1037025733.db2.gz UANZWIMXYDPLBY-QZTJIDSGSA-N 2 1 336.570 3.561 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168458710 1037171432 /nfs/dbraw/zinc/17/14/32/1037171432.db2.gz ILXQOTKSDAZYHQ-MRXNPFEDSA-N 2 1 327.447 3.719 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001168194152 1037244070 /nfs/dbraw/zinc/24/40/70/1037244070.db2.gz YNPMICYLZGQDOF-PLACYPQZSA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001168194152 1037244082 /nfs/dbraw/zinc/24/40/82/1037244082.db2.gz YNPMICYLZGQDOF-PLACYPQZSA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001168194152 1037244096 /nfs/dbraw/zinc/24/40/96/1037244096.db2.gz YNPMICYLZGQDOF-PLACYPQZSA-N 2 1 343.559 3.559 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000539849314 1037276571 /nfs/dbraw/zinc/27/65/71/1037276571.db2.gz FYOOSBADEOPNRI-LJQANCHMSA-N 2 1 328.500 3.783 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000539849314 1037276589 /nfs/dbraw/zinc/27/65/89/1037276589.db2.gz FYOOSBADEOPNRI-LJQANCHMSA-N 2 1 328.500 3.783 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3ccncc3C)C2)s1 ZINC000573123353 1037293846 /nfs/dbraw/zinc/29/38/46/1037293846.db2.gz GAUDIPJHBIAJAB-SFHVURJKSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3ccncc3C)C2)s1 ZINC000573123353 1037293859 /nfs/dbraw/zinc/29/38/59/1037293859.db2.gz GAUDIPJHBIAJAB-SFHVURJKSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3ccncc3C)C2)s1 ZINC000573123353 1037293874 /nfs/dbraw/zinc/29/38/74/1037293874.db2.gz GAUDIPJHBIAJAB-SFHVURJKSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442185 1037295924 /nfs/dbraw/zinc/29/59/24/1037295924.db2.gz FVSNMRFFLGXPRL-HZPDHXFCSA-N 2 1 349.569 3.757 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532446139 1037305311 /nfs/dbraw/zinc/30/53/11/1037305311.db2.gz WPXMQZAPIPMDQQ-DLBZAZTESA-N 2 1 343.515 3.877 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462791400 1037402496 /nfs/dbraw/zinc/40/24/96/1037402496.db2.gz AGNAVTZODLHZBW-GOSISDBHSA-N 2 1 346.515 3.852 20 0 EHADMP FC(F)(F)[C@H]1CCCN(CCC[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000172647277 1037576422 /nfs/dbraw/zinc/57/64/22/1037576422.db2.gz APIGTFMISQVUAA-STQMWFEESA-N 2 1 346.359 3.925 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000462957216 1037580705 /nfs/dbraw/zinc/58/07/05/1037580705.db2.gz LNBFFXMRMRBTAW-APWZRJJASA-N 2 1 331.504 3.509 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000462957216 1037580722 /nfs/dbraw/zinc/58/07/22/1037580722.db2.gz LNBFFXMRMRBTAW-APWZRJJASA-N 2 1 331.504 3.509 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493883865 1037697268 /nfs/dbraw/zinc/69/72/68/1037697268.db2.gz SRGHUZLIKRAUOX-KMFTYDHNSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905144 1037701489 /nfs/dbraw/zinc/70/14/89/1037701489.db2.gz GVAVYOYGZRDIRC-GUYCJALGSA-N 2 1 349.316 3.819 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124050 1037776787 /nfs/dbraw/zinc/77/67/87/1037776787.db2.gz MDVCRVIEBVUCQG-NRSPTQNISA-N 2 1 345.575 3.996 20 0 EHADMP Fc1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1F ZINC000463126652 1037780443 /nfs/dbraw/zinc/78/04/43/1037780443.db2.gz JXJLNUPAQGIEED-UHFFFAOYSA-N 2 1 344.449 3.804 20 0 EHADMP CC(C)c1cc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000540286454 1037782779 /nfs/dbraw/zinc/78/27/79/1037782779.db2.gz AWQWFQRUSKFGGH-IXDOHACOSA-N 2 1 345.535 3.508 20 0 EHADMP CC(C)c1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000540286454 1037782793 /nfs/dbraw/zinc/78/27/93/1037782793.db2.gz AWQWFQRUSKFGGH-IXDOHACOSA-N 2 1 345.535 3.508 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000463119589 1037784806 /nfs/dbraw/zinc/78/48/06/1037784806.db2.gz PJPLGISGYCYQMQ-KCZVDYSFSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]1C[C@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463143426 1037790312 /nfs/dbraw/zinc/79/03/12/1037790312.db2.gz SIGDQCHZOBRINM-PZJWPPBQSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000463148375 1037813518 /nfs/dbraw/zinc/81/35/18/1037813518.db2.gz SDHGOWJTLXTHNQ-VQTJNVASSA-N 2 1 343.559 3.546 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463149286 1037820819 /nfs/dbraw/zinc/82/08/19/1037820819.db2.gz YKHLSZUVOMVMPR-GHTZIAJQSA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463149286 1037820837 /nfs/dbraw/zinc/82/08/37/1037820837.db2.gz YKHLSZUVOMVMPR-GHTZIAJQSA-N 2 1 338.495 3.880 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468124 1037918844 /nfs/dbraw/zinc/91/88/44/1037918844.db2.gz CGHGCMWCESAWOE-HKUYNNGSSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468124 1037918859 /nfs/dbraw/zinc/91/88/59/1037918859.db2.gz CGHGCMWCESAWOE-HKUYNNGSSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468124 1037918871 /nfs/dbraw/zinc/91/88/71/1037918871.db2.gz CGHGCMWCESAWOE-HKUYNNGSSA-N 2 1 344.499 3.560 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000506468124 1037918888 /nfs/dbraw/zinc/91/88/88/1037918888.db2.gz CGHGCMWCESAWOE-HKUYNNGSSA-N 2 1 344.499 3.560 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463238365 1037922655 /nfs/dbraw/zinc/92/26/55/1037922655.db2.gz UZVDHHGBJSGNNC-RLLQIKCJSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463238365 1037922668 /nfs/dbraw/zinc/92/26/68/1037922668.db2.gz UZVDHHGBJSGNNC-RLLQIKCJSA-N 2 1 332.532 3.816 20 0 EHADMP Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183156048 1037933216 /nfs/dbraw/zinc/93/32/16/1037933216.db2.gz GKXIOCBTDYUAQS-BHIFYINESA-N 2 1 335.495 3.780 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2COc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463291981 1038001719 /nfs/dbraw/zinc/00/17/19/1038001719.db2.gz YSLOCICUXDLMSM-ZTNFWEORSA-N 2 1 340.442 3.902 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(O)c2OC)CC1)CC(C)C ZINC000584557373 1038009523 /nfs/dbraw/zinc/00/95/23/1038009523.db2.gz VKCCRXKFDYIISR-UHFFFAOYSA-N 2 1 348.531 3.981 20 0 EHADMP CC(C)COc1cccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000540505002 1038022500 /nfs/dbraw/zinc/02/25/00/1038022500.db2.gz UMCOBVOYRTZUHM-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000540505002 1038022523 /nfs/dbraw/zinc/02/25/23/1038022523.db2.gz UMCOBVOYRTZUHM-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000540505002 1038022543 /nfs/dbraw/zinc/02/25/43/1038022543.db2.gz UMCOBVOYRTZUHM-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000540505002 1038022552 /nfs/dbraw/zinc/02/25/52/1038022552.db2.gz UMCOBVOYRTZUHM-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000540505002 1038022576 /nfs/dbraw/zinc/02/25/76/1038022576.db2.gz UMCOBVOYRTZUHM-FQEVSTJZSA-N 2 1 330.516 3.885 20 0 EHADMP C[N@H+]1CCC[C@@H]1CCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106647 1038280345 /nfs/dbraw/zinc/28/03/45/1038280345.db2.gz DIJRABKGXRBPJH-OAQYLSRUSA-N 2 1 341.474 3.750 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106647 1038280354 /nfs/dbraw/zinc/28/03/54/1038280354.db2.gz DIJRABKGXRBPJH-OAQYLSRUSA-N 2 1 341.474 3.750 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106647 1038280368 /nfs/dbraw/zinc/28/03/68/1038280368.db2.gz DIJRABKGXRBPJH-OAQYLSRUSA-N 2 1 341.474 3.750 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106647 1038280384 /nfs/dbraw/zinc/28/03/84/1038280384.db2.gz DIJRABKGXRBPJH-OAQYLSRUSA-N 2 1 341.474 3.750 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106647 1038280393 /nfs/dbraw/zinc/28/03/93/1038280393.db2.gz DIJRABKGXRBPJH-OAQYLSRUSA-N 2 1 341.474 3.750 20 0 EHADMP CC1(C)CCc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000538718112 1038489310 /nfs/dbraw/zinc/48/93/10/1038489310.db2.gz VWWQOKSMAOOQIJ-SFHVURJKSA-N 2 1 328.500 3.708 20 0 EHADMP CC1(C)CCc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000538718112 1038489315 /nfs/dbraw/zinc/48/93/15/1038489315.db2.gz VWWQOKSMAOOQIJ-SFHVURJKSA-N 2 1 328.500 3.708 20 0 EHADMP CC(C)COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538750419 1038514284 /nfs/dbraw/zinc/51/42/84/1038514284.db2.gz ZUXZKPDQDFETTR-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000538750419 1038514297 /nfs/dbraw/zinc/51/42/97/1038514297.db2.gz ZUXZKPDQDFETTR-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000538750419 1038514310 /nfs/dbraw/zinc/51/43/10/1038514310.db2.gz ZUXZKPDQDFETTR-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000538750419 1038514321 /nfs/dbraw/zinc/51/43/21/1038514321.db2.gz ZUXZKPDQDFETTR-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2OC(F)F)C[C@@H]1C ZINC000659983027 1038612247 /nfs/dbraw/zinc/61/22/47/1038612247.db2.gz BUVPEWACMDCATC-SWLSCSKDSA-N 2 1 330.394 3.732 20 0 EHADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000668820702 1038834737 /nfs/dbraw/zinc/83/47/37/1038834737.db2.gz XNBFIFQIOIBIGJ-FVWXCPNNSA-N 2 1 334.454 3.922 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552047281 1038914465 /nfs/dbraw/zinc/91/44/65/1038914465.db2.gz GLAOCFQGUOJDMG-UFYCRDLUSA-N 2 1 343.515 3.756 20 0 EHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000552048074 1038917059 /nfs/dbraw/zinc/91/70/59/1038917059.db2.gz GFEKCVWFANXXCK-LJQANCHMSA-N 2 1 331.548 3.563 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H]2CCC[C@H]21 ZINC000552249981 1039093629 /nfs/dbraw/zinc/09/36/29/1039093629.db2.gz RLOKKCHGDUFYET-CWRNSKLLSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H]2CCC[C@H]21 ZINC000552249981 1039093646 /nfs/dbraw/zinc/09/36/46/1039093646.db2.gz RLOKKCHGDUFYET-CWRNSKLLSA-N 2 1 341.268 3.551 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000552280531 1039153312 /nfs/dbraw/zinc/15/33/12/1039153312.db2.gz KQGJYCRFSLDRQG-QRQLOZEOSA-N 2 1 328.500 3.579 20 0 EHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000488426346 1039165185 /nfs/dbraw/zinc/16/51/85/1039165185.db2.gz HURSOOFJANKQJO-RBUKOAKNSA-N 2 1 348.556 3.529 20 0 EHADMP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520009 1039193450 /nfs/dbraw/zinc/19/34/50/1039193450.db2.gz SHWKYJGMTCPBAK-BHIFYINESA-N 2 1 335.495 3.780 20 0 EHADMP C[NH+](C)[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000432794837 1039216198 /nfs/dbraw/zinc/21/61/98/1039216198.db2.gz VRAHJSXEGZRCPY-HXUWFJFHSA-N 3 1 331.548 3.561 20 0 EHADMP Clc1ccc([C@@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667627815 1039232848 /nfs/dbraw/zinc/23/28/48/1039232848.db2.gz MIVDCXCZXQVPFM-MRXNPFEDSA-N 2 1 338.842 3.910 20 0 EHADMP Clc1ccc([C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000667627815 1039232861 /nfs/dbraw/zinc/23/28/61/1039232861.db2.gz MIVDCXCZXQVPFM-MRXNPFEDSA-N 2 1 338.842 3.910 20 0 EHADMP CC(C)[C@@]1(CO)CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000552407715 1039259516 /nfs/dbraw/zinc/25/95/16/1039259516.db2.gz AAWYWSBCNBKNGQ-QFIPXVFZSA-N 2 1 346.559 3.875 20 0 EHADMP CC(C)[C@@]1(CO)CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000552407715 1039259525 /nfs/dbraw/zinc/25/95/25/1039259525.db2.gz AAWYWSBCNBKNGQ-QFIPXVFZSA-N 2 1 346.559 3.875 20 0 EHADMP CC(C)[C@@]1(CO)CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000552407715 1039259537 /nfs/dbraw/zinc/25/95/37/1039259537.db2.gz AAWYWSBCNBKNGQ-QFIPXVFZSA-N 2 1 346.559 3.875 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000432801108 1039260828 /nfs/dbraw/zinc/26/08/28/1039260828.db2.gz TWPIJQWDIGWAQT-KRWDZBQOSA-N 2 1 332.879 3.646 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000432801108 1039260841 /nfs/dbraw/zinc/26/08/41/1039260841.db2.gz TWPIJQWDIGWAQT-KRWDZBQOSA-N 2 1 332.879 3.646 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000480188776 1039291701 /nfs/dbraw/zinc/29/17/01/1039291701.db2.gz ADZAJPXEZRUXPK-MRXNPFEDSA-N 2 1 330.394 3.892 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000480188776 1039291711 /nfs/dbraw/zinc/29/17/11/1039291711.db2.gz ADZAJPXEZRUXPK-MRXNPFEDSA-N 2 1 330.394 3.892 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906157160 1039327593 /nfs/dbraw/zinc/32/75/93/1039327593.db2.gz CJXJVHYUOXOGSU-QFBILLFUSA-N 2 1 336.483 3.595 20 0 EHADMP Cc1cnn(CCCCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000554457474 1039375800 /nfs/dbraw/zinc/37/58/00/1039375800.db2.gz FFRBXECWAURHIO-NRFANRHFSA-N 2 1 346.563 3.950 20 0 EHADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658568 1039416360 /nfs/dbraw/zinc/41/63/60/1039416360.db2.gz JSFAAAAPCCHWNU-ICSRJNTNSA-N 2 1 346.515 3.551 20 0 EHADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658568 1039416371 /nfs/dbraw/zinc/41/63/71/1039416371.db2.gz JSFAAAAPCCHWNU-ICSRJNTNSA-N 2 1 346.515 3.551 20 0 EHADMP CCCn1nccc1CN(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667683885 1039618710 /nfs/dbraw/zinc/61/87/10/1039618710.db2.gz CRAKCYHLIJZNGC-FQEVSTJZSA-N 2 1 340.515 3.637 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480663433 1039878459 /nfs/dbraw/zinc/87/84/59/1039878459.db2.gz LKLZYTZSZBBJER-SJORKVTESA-N 2 1 328.504 3.738 20 0 EHADMP COC1(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CCCCC1 ZINC000480662478 1039879203 /nfs/dbraw/zinc/87/92/03/1039879203.db2.gz UHVASMJVKNUFMN-UHFFFAOYSA-N 2 1 330.516 3.898 20 0 EHADMP C[C@@H](N[C@@H](C)C[NH+]1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480705925 1039911824 /nfs/dbraw/zinc/91/18/24/1039911824.db2.gz DZKZJPDQUQBTFJ-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558318 1040028052 /nfs/dbraw/zinc/02/80/52/1040028052.db2.gz KOCYJMGAQQDPGM-NTZNESFSSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558318 1040028063 /nfs/dbraw/zinc/02/80/63/1040028063.db2.gz KOCYJMGAQQDPGM-NTZNESFSSA-N 2 1 329.257 3.722 20 0 EHADMP COc1cccc2c(NC3CC([NH+]4CCCCC4)C3)cc(C)[nH+]c12 ZINC000480814190 1040051704 /nfs/dbraw/zinc/05/17/04/1040051704.db2.gz RNZVCEXASVMANM-UHFFFAOYSA-N 2 1 325.456 3.981 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562783 1040088465 /nfs/dbraw/zinc/08/84/65/1040088465.db2.gz VZRRYJPDUZFHER-UZLBHIALSA-N 2 1 328.500 3.711 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000489572821 1040093238 /nfs/dbraw/zinc/09/32/38/1040093238.db2.gz MXBZIDMGXMFAOR-LBPRGKRZSA-N 2 1 331.273 3.969 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000489572821 1040093257 /nfs/dbraw/zinc/09/32/57/1040093257.db2.gz MXBZIDMGXMFAOR-LBPRGKRZSA-N 2 1 331.273 3.969 20 0 EHADMP CC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555085464 1040141746 /nfs/dbraw/zinc/14/17/46/1040141746.db2.gz JTWVJNJEJIGBLJ-WLFXSESQSA-N 2 1 336.907 3.614 20 0 EHADMP Cc1ccc(OC(F)F)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000480933168 1040185048 /nfs/dbraw/zinc/18/50/48/1040185048.db2.gz JUOPUBMULACOOL-UHFFFAOYSA-N 2 1 326.431 3.808 20 0 EHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432925237 1040189920 /nfs/dbraw/zinc/18/99/20/1040189920.db2.gz QVYFMWWWZUYWNQ-LBPRGKRZSA-N 2 1 343.418 3.955 20 0 EHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432925237 1040189929 /nfs/dbraw/zinc/18/99/29/1040189929.db2.gz QVYFMWWWZUYWNQ-LBPRGKRZSA-N 2 1 343.418 3.955 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039494 1040306870 /nfs/dbraw/zinc/30/68/70/1040306870.db2.gz RMSPVBPBSFOILH-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039494 1040306885 /nfs/dbraw/zinc/30/68/85/1040306885.db2.gz RMSPVBPBSFOILH-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000479499566 1040307153 /nfs/dbraw/zinc/30/71/53/1040307153.db2.gz OFPSPKUDSRCPKM-QIJUGHKUSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000479499566 1040307157 /nfs/dbraw/zinc/30/71/57/1040307157.db2.gz OFPSPKUDSRCPKM-QIJUGHKUSA-N 2 1 344.543 3.960 20 0 EHADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667505650 1040321929 /nfs/dbraw/zinc/32/19/29/1040321929.db2.gz WPHREJQONOLKIZ-OAQYLSRUSA-N 2 1 348.450 3.785 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000555235886 1040324345 /nfs/dbraw/zinc/32/43/45/1040324345.db2.gz OGRRLCWAYUFDIX-PZKJRENSSA-N 2 1 344.543 3.907 20 0 EHADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000490070568 1040334434 /nfs/dbraw/zinc/33/44/34/1040334434.db2.gz XHAIINGWQQXFLV-GOSISDBHSA-N 2 1 335.879 3.945 20 0 EHADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000490070568 1040334453 /nfs/dbraw/zinc/33/44/53/1040334453.db2.gz XHAIINGWQQXFLV-GOSISDBHSA-N 2 1 335.879 3.945 20 0 EHADMP CC[C@H](C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1)[NH+]1CCCC1 ZINC000490173890 1040383810 /nfs/dbraw/zinc/38/38/10/1040383810.db2.gz YRMAIYMXEBAQOU-DLBZAZTESA-N 2 1 325.500 3.798 20 0 EHADMP Clc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000479673417 1040499707 /nfs/dbraw/zinc/49/97/07/1040499707.db2.gz FFYJJZMINYDCTE-KRWDZBQOSA-N 2 1 343.298 3.756 20 0 EHADMP Clc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000479673417 1040499712 /nfs/dbraw/zinc/49/97/12/1040499712.db2.gz FFYJJZMINYDCTE-KRWDZBQOSA-N 2 1 343.298 3.756 20 0 EHADMP COC[C@H](C)Oc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000667535158 1040500168 /nfs/dbraw/zinc/50/01/68/1040500168.db2.gz ZWSIXAFCILYISW-SFHVURJKSA-N 2 1 348.531 3.653 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F)C[NH+]1CCCC1 ZINC000481311300 1040658031 /nfs/dbraw/zinc/65/80/31/1040658031.db2.gz UVSHLGBRNYQJIQ-CHWSQXEVSA-N 2 1 330.394 3.810 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924855564 1040660784 /nfs/dbraw/zinc/66/07/84/1040660784.db2.gz WQEBAEBDMBYTGQ-UGKGYDQZSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000433113700 1040778827 /nfs/dbraw/zinc/77/88/27/1040778827.db2.gz FMHQSAQGONOURQ-GOSISDBHSA-N 2 1 331.504 3.621 20 0 EHADMP Fc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491061119 1040897927 /nfs/dbraw/zinc/89/79/27/1040897927.db2.gz ZAQHXEGPXKLMHU-SFHVURJKSA-N 2 1 334.479 3.793 20 0 EHADMP Fc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491061119 1040897946 /nfs/dbraw/zinc/89/79/46/1040897946.db2.gz ZAQHXEGPXKLMHU-SFHVURJKSA-N 2 1 334.479 3.793 20 0 EHADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561866 1040917146 /nfs/dbraw/zinc/91/71/46/1040917146.db2.gz LAKFVZCQMWYJFU-IAGOWNOFSA-N 2 1 328.422 3.844 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561866 1040917191 /nfs/dbraw/zinc/91/71/91/1040917191.db2.gz LAKFVZCQMWYJFU-IAGOWNOFSA-N 2 1 328.422 3.844 20 0 EHADMP Cc1cccc([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390560500 1041008432 /nfs/dbraw/zinc/00/84/32/1041008432.db2.gz MLXLYQPEPKEPQI-SIKLNZKXSA-N 2 1 338.495 3.937 20 0 EHADMP Cc1cccc(C)c1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390565095 1041015856 /nfs/dbraw/zinc/01/58/56/1041015856.db2.gz NLBGOVPWIYVEOQ-NRFANRHFSA-N 2 1 338.495 3.684 20 0 EHADMP Cc1cccc(C)c1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390565095 1041015869 /nfs/dbraw/zinc/01/58/69/1041015869.db2.gz NLBGOVPWIYVEOQ-NRFANRHFSA-N 2 1 338.495 3.684 20 0 EHADMP Cc1cc(N2CCC([NH2+]CCc3ccc(C)c(C)c3)CC2)nc(C)[nH+]1 ZINC000893356894 1041096193 /nfs/dbraw/zinc/09/61/93/1041096193.db2.gz NJGRSNIRCBZZHH-UHFFFAOYSA-N 2 1 338.499 3.511 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000571292713 1041257977 /nfs/dbraw/zinc/25/79/77/1041257977.db2.gz QYNWENUSGLVBII-SFHLNBCPSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571292713 1041257991 /nfs/dbraw/zinc/25/79/91/1041257991.db2.gz QYNWENUSGLVBII-SFHLNBCPSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571292713 1041258004 /nfs/dbraw/zinc/25/80/04/1041258004.db2.gz QYNWENUSGLVBII-SFHLNBCPSA-N 2 1 331.548 3.750 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433330092 1041294820 /nfs/dbraw/zinc/29/48/20/1041294820.db2.gz ATGUQFYXRMULCT-RDJZCZTQSA-N 2 1 330.476 3.660 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000509882114 1041407532 /nfs/dbraw/zinc/40/75/32/1041407532.db2.gz ZHIHBWHNOXRUEQ-UHFFFAOYSA-N 2 1 349.950 3.593 20 0 EHADMP c1nc([C@H]2CCC[N@H+](Cc3cnc4ccccc4n3)C2)n2c1CCCC2 ZINC000660481417 1041556829 /nfs/dbraw/zinc/55/68/29/1041556829.db2.gz NBWOGDJYQAHPAK-INIZCTEOSA-N 2 1 347.466 3.542 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659880 1041758010 /nfs/dbraw/zinc/75/80/10/1041758010.db2.gz RKNLWNAHZADZFM-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659880 1041758015 /nfs/dbraw/zinc/75/80/15/1041758015.db2.gz RKNLWNAHZADZFM-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659880 1041758021 /nfs/dbraw/zinc/75/80/21/1041758021.db2.gz RKNLWNAHZADZFM-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cc4cnccc4o3)C2)c1 ZINC000651692084 1041931622 /nfs/dbraw/zinc/93/16/22/1041931622.db2.gz SIEVRQURZJSPOS-OAHLLOKOSA-N 2 1 341.480 3.891 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cc4cnccc4o3)C2)c1 ZINC000651692084 1041931630 /nfs/dbraw/zinc/93/16/30/1041931630.db2.gz SIEVRQURZJSPOS-OAHLLOKOSA-N 2 1 341.480 3.891 20 0 EHADMP Cc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cn2c1 ZINC000045944712 1042184870 /nfs/dbraw/zinc/18/48/70/1042184870.db2.gz QBHUKTPMNWNVJG-UHFFFAOYSA-N 2 1 340.515 3.731 20 0 EHADMP CC(C)C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000652149814 1042241179 /nfs/dbraw/zinc/24/11/79/1042241179.db2.gz BIHHWLJJXKUXTL-FQEVSTJZSA-N 2 1 335.511 3.530 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000164473291 1042271080 /nfs/dbraw/zinc/27/10/80/1042271080.db2.gz WWHQVRYFWPTIFC-INIZCTEOSA-N 2 1 345.487 3.558 20 0 EHADMP CCOC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000248881335 1042529538 /nfs/dbraw/zinc/52/95/38/1042529538.db2.gz KWCQGYYYBXGLHS-BURNTYAHSA-N 2 1 330.516 3.833 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000662270463 1042648699 /nfs/dbraw/zinc/64/86/99/1042648699.db2.gz KYHFJVDIERMQGR-WIYYLYMNSA-N 2 1 339.483 3.724 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1F ZINC000662306199 1042672972 /nfs/dbraw/zinc/67/29/72/1042672972.db2.gz PBVCVBKNZHCJPF-HXUWFJFHSA-N 2 1 340.442 3.817 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326921 1042689216 /nfs/dbraw/zinc/68/92/16/1042689216.db2.gz AQPWSTWGOOBIIY-MRXNPFEDSA-N 2 1 338.499 3.817 20 0 EHADMP CC[NH+](CC)CC1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663396302 1042810520 /nfs/dbraw/zinc/81/05/20/1042810520.db2.gz GBVWQXLKJPVTMQ-UHFFFAOYSA-N 2 1 329.410 3.967 20 0 EHADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663467771 1042895295 /nfs/dbraw/zinc/89/52/95/1042895295.db2.gz HZORTKDSSOVXJC-JKSUJKDBSA-N 2 1 333.545 3.795 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000563155061 1042959633 /nfs/dbraw/zinc/95/96/33/1042959633.db2.gz ZNOGDKFYVLTRBO-UHFFFAOYSA-N 3 1 337.511 3.678 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643546448 1042993192 /nfs/dbraw/zinc/99/31/92/1042993192.db2.gz OYRCPPKEGAWDHY-STQMWFEESA-N 2 1 338.879 3.683 20 0 EHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414701 1043130271 /nfs/dbraw/zinc/13/02/71/1043130271.db2.gz ALCYYBZBWWOOPW-LSDHHAIUSA-N 2 1 344.952 3.813 20 0 EHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414701 1043130281 /nfs/dbraw/zinc/13/02/81/1043130281.db2.gz ALCYYBZBWWOOPW-LSDHHAIUSA-N 2 1 344.952 3.813 20 0 EHADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278990412 1043149802 /nfs/dbraw/zinc/14/98/02/1043149802.db2.gz QAADGJIABSXYDT-IRXDYDNUSA-N 2 1 327.472 3.831 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000344058407 1043178998 /nfs/dbraw/zinc/17/89/98/1043178998.db2.gz NFAREVMIEPOFSM-RBUKOAKNSA-N 2 1 343.446 3.757 20 0 EHADMP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)ccc1F ZINC000432427108 1043183319 /nfs/dbraw/zinc/18/33/19/1043183319.db2.gz XINQTLIAKUDELX-UZLBHIALSA-N 2 1 334.479 3.676 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279021660 1043205054 /nfs/dbraw/zinc/20/50/54/1043205054.db2.gz UXEIBRRBJBFFGH-UKRRQHHQSA-N 2 1 335.398 3.788 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000344163234 1043359936 /nfs/dbraw/zinc/35/99/36/1043359936.db2.gz HGVYIIGVAKTSST-FQEVSTJZSA-N 2 1 349.538 3.920 20 0 EHADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000344205907 1043436033 /nfs/dbraw/zinc/43/60/33/1043436033.db2.gz CDZIKNJFDCUVQK-OAHLLOKOSA-N 2 1 345.512 3.777 20 0 EHADMP c1nc(C2CC2)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000435060815 1043930146 /nfs/dbraw/zinc/93/01/46/1043930146.db2.gz VFFUDMFZAIAJOD-UHFFFAOYSA-N 2 1 342.512 3.933 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C12CCCC2 ZINC000512335093 1044760615 /nfs/dbraw/zinc/76/06/15/1044760615.db2.gz CBCAJALKTSRVPA-QGZVKYPTSA-N 2 1 334.548 3.967 20 0 EHADMP CCCCCCNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687753 1125691680 /nfs/dbraw/zinc/69/16/80/1125691680.db2.gz NWKNUHZRTLUSQJ-MRXNPFEDSA-N 2 1 342.487 3.528 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000174628624 1126857172 /nfs/dbraw/zinc/85/71/72/1126857172.db2.gz FUKKSSNHYKOZQO-FUHWJXTLSA-N 2 1 334.504 3.694 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000174628624 1126857173 /nfs/dbraw/zinc/85/71/73/1126857173.db2.gz FUKKSSNHYKOZQO-FUHWJXTLSA-N 2 1 334.504 3.694 20 0 EHADMP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000623137151 1126883229 /nfs/dbraw/zinc/88/32/29/1126883229.db2.gz XIMSCFDBXUZHIZ-IBGZPJMESA-N 2 1 330.516 3.948 20 0 EHADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000623137151 1126883231 /nfs/dbraw/zinc/88/32/31/1126883231.db2.gz XIMSCFDBXUZHIZ-IBGZPJMESA-N 2 1 330.516 3.948 20 0 EHADMP Cc1ccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000623385481 1126939552 /nfs/dbraw/zinc/93/95/52/1126939552.db2.gz NBGOWKPKDVUQQH-VQTJNVASSA-N 2 1 329.532 3.594 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC1CC1 ZINC000623468644 1126962037 /nfs/dbraw/zinc/96/20/37/1126962037.db2.gz AGIAKMDJYSKIHH-GOSISDBHSA-N 2 1 346.515 3.694 20 0 EHADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476235 1126963762 /nfs/dbraw/zinc/96/37/62/1126963762.db2.gz UHUPUELOWPFPCW-BZSNNMDCSA-N 2 1 335.923 3.548 20 0 EHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036677 1127005188 /nfs/dbraw/zinc/00/51/88/1127005188.db2.gz VCSRBIKXISBFOI-FGTMMUONSA-N 2 1 334.504 3.544 20 0 EHADMP CC(C)CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646468 1127002502 /nfs/dbraw/zinc/00/25/02/1127002502.db2.gz HKLDRCVYVMFVAD-PMACEKPBSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646468 1127002505 /nfs/dbraw/zinc/00/25/05/1127002505.db2.gz HKLDRCVYVMFVAD-PMACEKPBSA-N 2 1 330.516 3.570 20 0 EHADMP CCCOc1c(CNC[C@H]2CCCC[N@@H+](C)C2)cccc1OCC ZINC000623655027 1127005576 /nfs/dbraw/zinc/00/55/76/1127005576.db2.gz MIVWIHQUQIOOEZ-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cccc1OCC ZINC000623655027 1127005581 /nfs/dbraw/zinc/00/55/81/1127005581.db2.gz MIVWIHQUQIOOEZ-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cccc1OCC ZINC000623655027 1127005584 /nfs/dbraw/zinc/00/55/84/1127005584.db2.gz MIVWIHQUQIOOEZ-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP Fc1cc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1Cl ZINC000623800320 1127181746 /nfs/dbraw/zinc/18/17/46/1127181746.db2.gz DRUXEPQUFCZHLN-UONOGXRCSA-N 2 1 335.854 3.719 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000623899067 1127209615 /nfs/dbraw/zinc/20/96/15/1127209615.db2.gz ZPSPWTDSNJMJDE-IPYPFGDCSA-N 2 1 325.294 3.891 20 0 EHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCCO1 ZINC000623906533 1127212441 /nfs/dbraw/zinc/21/24/41/1127212441.db2.gz ZAWXQLAQVXFHPW-ARXXEPJESA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1nccn1C ZINC000182266592 1127320069 /nfs/dbraw/zinc/32/00/69/1127320069.db2.gz PHFVXJNKHGJUBW-QGZVFWFLSA-N 2 1 326.488 3.503 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000765246032 1127587760 /nfs/dbraw/zinc/58/77/60/1127587760.db2.gz RIDQYKCCQCXFSS-NQIIRXRSSA-N 2 1 329.532 3.539 20 0 EHADMP CCOc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000765406036 1127608406 /nfs/dbraw/zinc/60/84/06/1127608406.db2.gz LIYOCNXFSOCUMD-KSZLIROESA-N 2 1 334.504 3.625 20 0 EHADMP COc1cccc(OC)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000671707675 1128043806 /nfs/dbraw/zinc/04/38/06/1128043806.db2.gz FPTCIFLZYQERAL-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP COc1cccc(OC)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000671707675 1128043809 /nfs/dbraw/zinc/04/38/09/1128043809.db2.gz FPTCIFLZYQERAL-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000624330054 1128056672 /nfs/dbraw/zinc/05/66/72/1128056672.db2.gz NGFUQHXYBMPAQN-AZUAARDMSA-N 2 1 348.918 3.950 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000347543752 1128066004 /nfs/dbraw/zinc/06/60/04/1128066004.db2.gz YWANSOPNWUMSQD-MRXNPFEDSA-N 2 1 349.478 3.774 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671750496 1128204001 /nfs/dbraw/zinc/20/40/01/1128204001.db2.gz AJNAYGICZLPFJC-IDGBJLRDSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781915 1128366195 /nfs/dbraw/zinc/36/61/95/1128366195.db2.gz CTAHPQISKNYABJ-ZWKOTPCHSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781915 1128366198 /nfs/dbraw/zinc/36/61/98/1128366198.db2.gz CTAHPQISKNYABJ-ZWKOTPCHSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781915 1128366202 /nfs/dbraw/zinc/36/62/02/1128366202.db2.gz CTAHPQISKNYABJ-ZWKOTPCHSA-N 2 1 326.488 3.643 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OCC ZINC000623654743 1128449076 /nfs/dbraw/zinc/44/90/76/1128449076.db2.gz HSZUEOMWMVPZHK-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166396707 1128456464 /nfs/dbraw/zinc/45/64/64/1128456464.db2.gz LUHRBESSDOZPFQ-DAYGRLMNSA-N 2 1 336.426 3.882 20 0 EHADMP COc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000903066401 1128455050 /nfs/dbraw/zinc/45/50/50/1128455050.db2.gz MDYXEZMDZIPCES-CJNGLKHVSA-N 2 1 334.891 3.800 20 0 EHADMP COc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000903066401 1128455051 /nfs/dbraw/zinc/45/50/51/1128455051.db2.gz MDYXEZMDZIPCES-CJNGLKHVSA-N 2 1 334.891 3.800 20 0 EHADMP Cc1cc(C)cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000110435405 1128786380 /nfs/dbraw/zinc/78/63/80/1128786380.db2.gz AVLFQISKSZXESP-KDURUIRLSA-N 2 1 330.516 3.625 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCC3)cc1 ZINC000921824157 1128790485 /nfs/dbraw/zinc/79/04/85/1128790485.db2.gz CYXFRJKIRWCIRS-OAHLLOKOSA-N 2 1 333.435 3.966 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001648832953 1120050516 /nfs/dbraw/zinc/05/05/16/1120050516.db2.gz UPYVEMUIWMMWQM-INIZCTEOSA-N 2 1 340.515 3.619 20 0 EHADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC001648965867 1120284075 /nfs/dbraw/zinc/28/40/75/1120284075.db2.gz VKUUFMDDDHOWQY-HXUWFJFHSA-N 2 1 348.494 3.645 20 0 EHADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC001648965867 1120284078 /nfs/dbraw/zinc/28/40/78/1120284078.db2.gz VKUUFMDDDHOWQY-HXUWFJFHSA-N 2 1 348.494 3.645 20 0 EHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000185159741 1120402499 /nfs/dbraw/zinc/40/24/99/1120402499.db2.gz BWVRFUJONXEATJ-UHFFFAOYSA-N 2 1 344.547 3.816 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](OC(C)C)C3(C)C)CC2)[nH+]c1 ZINC000185230137 1120405148 /nfs/dbraw/zinc/40/51/48/1120405148.db2.gz YVUXYQTZFFOPMG-QZTJIDSGSA-N 2 1 331.504 3.541 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000191285564 1120667273 /nfs/dbraw/zinc/66/72/73/1120667273.db2.gz LTDYZVYYLXNKHB-UHFFFAOYSA-N 2 1 328.500 3.972 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494607640 1120685766 /nfs/dbraw/zinc/68/57/66/1120685766.db2.gz FZAXVFMTDMCEQU-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494607640 1120685770 /nfs/dbraw/zinc/68/57/70/1120685770.db2.gz FZAXVFMTDMCEQU-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000157012802 1128946966 /nfs/dbraw/zinc/94/69/66/1128946966.db2.gz AHDDCHLBPCEPNV-CNNODRBYSA-N 3 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000157012802 1128946969 /nfs/dbraw/zinc/94/69/69/1128946969.db2.gz AHDDCHLBPCEPNV-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000157012802 1128946971 /nfs/dbraw/zinc/94/69/71/1128946971.db2.gz AHDDCHLBPCEPNV-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000157012802 1128946974 /nfs/dbraw/zinc/94/69/74/1128946974.db2.gz AHDDCHLBPCEPNV-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000494890160 1120892797 /nfs/dbraw/zinc/89/27/97/1120892797.db2.gz DRWGJRQSISVQST-OBZTUIKSSA-N 2 1 332.463 3.510 20 0 EHADMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(Br)c1 ZINC001205124677 1121002252 /nfs/dbraw/zinc/00/22/52/1121002252.db2.gz XUBVPPOXOUMDNX-OAHLLOKOSA-N 2 1 325.294 3.886 20 0 EHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(Br)c1 ZINC001205124677 1121002256 /nfs/dbraw/zinc/00/22/56/1121002256.db2.gz XUBVPPOXOUMDNX-OAHLLOKOSA-N 2 1 325.294 3.886 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+](C)C)cc1 ZINC000302611278 1121095952 /nfs/dbraw/zinc/09/59/52/1121095952.db2.gz OSQAXWPYSWKLPG-UHFFFAOYSA-N 2 1 348.494 3.889 20 0 EHADMP C[N@@H+](CCc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347443078 1121116508 /nfs/dbraw/zinc/11/65/08/1121116508.db2.gz SEJRSHTYDZOUKM-UHFFFAOYSA-N 2 1 327.447 3.612 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168487167 1121144085 /nfs/dbraw/zinc/14/40/85/1121144085.db2.gz OBNBPNMRKOZTCM-QFBILLFUSA-N 2 1 348.506 3.768 20 0 EHADMP CCc1cc(Br)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091624 1121296100 /nfs/dbraw/zinc/29/61/00/1121296100.db2.gz GJFCSZXMPJIGIU-UHFFFAOYSA-N 2 1 337.305 3.587 20 0 EHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1OCC ZINC000236683271 1121459912 /nfs/dbraw/zinc/45/99/12/1121459912.db2.gz SQLUEHJILHAROI-UHFFFAOYSA-N 2 1 334.504 3.838 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000236896677 1121468112 /nfs/dbraw/zinc/46/81/12/1121468112.db2.gz ZIKMBDTZDSWKOM-NHCUHLMSSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976392 1128988955 /nfs/dbraw/zinc/98/89/55/1128988955.db2.gz DXJJDOJTRDGEKJ-HKUYNNGSSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976392 1128988958 /nfs/dbraw/zinc/98/89/58/1128988958.db2.gz DXJJDOJTRDGEKJ-HKUYNNGSSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000762916635 1121520467 /nfs/dbraw/zinc/52/04/67/1121520467.db2.gz IBLRORRLSPGZQD-QGZVFWFLSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000762916635 1121520473 /nfs/dbraw/zinc/52/04/73/1121520473.db2.gz IBLRORRLSPGZQD-QGZVFWFLSA-N 2 1 333.863 3.778 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000763397161 1122226350 /nfs/dbraw/zinc/22/63/50/1122226350.db2.gz YMICEBOCCHBKGX-IEBWSBKVSA-N 2 1 334.891 3.560 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126744048 1122422046 /nfs/dbraw/zinc/42/20/46/1122422046.db2.gz JAUIKTWXXAMGQN-LJQANCHMSA-N 2 1 337.511 3.593 20 0 EHADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cccc(COc3ccccc3)c1)CC2 ZINC000922063691 1129070032 /nfs/dbraw/zinc/07/00/32/1129070032.db2.gz NJOCOKXKWNHOBQ-IBGZPJMESA-N 2 1 347.462 3.814 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000556075778 1122802774 /nfs/dbraw/zinc/80/27/74/1122802774.db2.gz FDOHHKGFVBXLSV-PMACEKPBSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000556075778 1122802775 /nfs/dbraw/zinc/80/27/75/1122802775.db2.gz FDOHHKGFVBXLSV-PMACEKPBSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556119216 1122827483 /nfs/dbraw/zinc/82/74/83/1122827483.db2.gz RWDIHLRQJKINHC-UZLBHIALSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556119216 1122827490 /nfs/dbraw/zinc/82/74/90/1122827490.db2.gz RWDIHLRQJKINHC-UZLBHIALSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000130001323 1122864954 /nfs/dbraw/zinc/86/49/54/1122864954.db2.gz WOAVXZKBOIBETD-IBGZPJMESA-N 2 1 330.516 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000130001323 1122864956 /nfs/dbraw/zinc/86/49/56/1122864956.db2.gz WOAVXZKBOIBETD-IBGZPJMESA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000130001323 1122864957 /nfs/dbraw/zinc/86/49/57/1122864957.db2.gz WOAVXZKBOIBETD-IBGZPJMESA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000130001323 1122864958 /nfs/dbraw/zinc/86/49/58/1122864958.db2.gz WOAVXZKBOIBETD-IBGZPJMESA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243860 1122894387 /nfs/dbraw/zinc/89/43/87/1122894387.db2.gz PRXBWMBASDVXBD-IEBWSBKVSA-N 2 1 334.467 3.507 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243860 1122894393 /nfs/dbraw/zinc/89/43/93/1122894393.db2.gz PRXBWMBASDVXBD-IEBWSBKVSA-N 2 1 334.467 3.507 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000556872232 1123161919 /nfs/dbraw/zinc/16/19/19/1123161919.db2.gz GYQCLUWMRWMIKK-UAGQMJEPSA-N 2 1 342.405 3.676 20 0 EHADMP C[C@@H]1CCc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)sc2C1 ZINC000134213122 1123502011 /nfs/dbraw/zinc/50/20/11/1123502011.db2.gz BFFJOIIHJHCEFL-OAHLLOKOSA-N 2 1 333.545 3.576 20 0 EHADMP Cc1ncsc1C[NH+](C)CCCC[N@H+](C)Cc1scnc1C ZINC000077284474 1123544813 /nfs/dbraw/zinc/54/48/13/1123544813.db2.gz GBOZZRKBBUFXJD-UHFFFAOYSA-N 2 1 338.546 3.560 20 0 EHADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134878563 1123560143 /nfs/dbraw/zinc/56/01/43/1123560143.db2.gz BJZFTADXFGMMSL-QAPCUYQASA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134878563 1123560145 /nfs/dbraw/zinc/56/01/45/1123560145.db2.gz BJZFTADXFGMMSL-QAPCUYQASA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134878563 1123560149 /nfs/dbraw/zinc/56/01/49/1123560149.db2.gz BJZFTADXFGMMSL-QAPCUYQASA-N 2 1 336.426 3.737 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000237675568 1123805228 /nfs/dbraw/zinc/80/52/28/1123805228.db2.gz YFGZGDPTVPRIHR-INIZCTEOSA-N 2 1 329.488 3.519 20 0 EHADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245689556 1123925980 /nfs/dbraw/zinc/92/59/80/1123925980.db2.gz KDEYKLRZGYXRJJ-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000246199065 1124049775 /nfs/dbraw/zinc/04/97/75/1124049775.db2.gz XPRZEKYNLRQFIX-ZIAGYGMSSA-N 2 1 334.895 3.609 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000379843516 1124562119 /nfs/dbraw/zinc/56/21/19/1124562119.db2.gz HKGBRLJONACEGG-PCCBWWKXSA-N 2 1 330.516 3.836 20 0 EHADMP CCn1cc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000246960803 1124571155 /nfs/dbraw/zinc/57/11/55/1124571155.db2.gz HWQSDNWLWQPCTJ-ZWOKBUDYSA-N 2 1 326.488 3.607 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)[C@@H](C)C1 ZINC000248060137 1124638062 /nfs/dbraw/zinc/63/80/62/1124638062.db2.gz YDKARPJKLNMGSX-BJLQDIEVSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)[C@@H](C)C1 ZINC000248060137 1124638064 /nfs/dbraw/zinc/63/80/64/1124638064.db2.gz YDKARPJKLNMGSX-BJLQDIEVSA-N 2 1 348.531 3.791 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000248142526 1124642145 /nfs/dbraw/zinc/64/21/45/1124642145.db2.gz PUZFKNOGODKTMO-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000248142526 1124642152 /nfs/dbraw/zinc/64/21/52/1124642152.db2.gz PUZFKNOGODKTMO-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000248142526 1124642157 /nfs/dbraw/zinc/64/21/57/1124642157.db2.gz PUZFKNOGODKTMO-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249190418 1124745233 /nfs/dbraw/zinc/74/52/33/1124745233.db2.gz NPUOCHZIFPOIDT-IEBWSBKVSA-N 2 1 326.488 3.743 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249190418 1124745241 /nfs/dbraw/zinc/74/52/41/1124745241.db2.gz NPUOCHZIFPOIDT-IEBWSBKVSA-N 2 1 326.488 3.743 20 0 EHADMP CSc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249386163 1124753741 /nfs/dbraw/zinc/75/37/41/1124753741.db2.gz BJWXQCDEUNYCNX-IXDOHACOSA-N 2 1 336.545 3.949 20 0 EHADMP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181541097 1124920812 /nfs/dbraw/zinc/92/08/12/1124920812.db2.gz MJALLSUBVFFBRG-ZWKOTPCHSA-N 2 1 342.487 3.649 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2n1C ZINC000091286817 1124972897 /nfs/dbraw/zinc/97/28/97/1124972897.db2.gz KYLZCFNISZKTRF-KSZLIROESA-N 2 1 342.531 3.982 20 0 EHADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336884 1125228013 /nfs/dbraw/zinc/22/80/13/1125228013.db2.gz RTNJMKBLYCDASV-HXUWFJFHSA-N 2 1 348.490 3.916 20 0 EHADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336884 1125228016 /nfs/dbraw/zinc/22/80/16/1125228016.db2.gz RTNJMKBLYCDASV-HXUWFJFHSA-N 2 1 348.490 3.916 20 0 EHADMP C[NH+](CC1=Cc2ccccc2OC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336884 1125228020 /nfs/dbraw/zinc/22/80/20/1125228020.db2.gz RTNJMKBLYCDASV-HXUWFJFHSA-N 2 1 348.490 3.916 20 0 EHADMP C[NH+](CC1=Cc2ccccc2OC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336884 1125228023 /nfs/dbraw/zinc/22/80/23/1125228023.db2.gz RTNJMKBLYCDASV-HXUWFJFHSA-N 2 1 348.490 3.916 20 0 EHADMP C[NH+]1CCC(C2CC[NH+](Cc3occc3Br)CC2)CC1 ZINC001143129461 1129207458 /nfs/dbraw/zinc/20/74/58/1129207458.db2.gz BPKPFVXGWQZAJK-UHFFFAOYSA-N 2 1 341.293 3.596 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704435 1129211194 /nfs/dbraw/zinc/21/11/94/1129211194.db2.gz GGLVNWMJQFCWDK-QGZVFWFLSA-N 2 1 344.861 3.896 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000499661549 1129272223 /nfs/dbraw/zinc/27/22/23/1129272223.db2.gz CSDPSAAQUJERLH-MRXNPFEDSA-N 2 1 330.447 3.835 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000922284555 1129434255 /nfs/dbraw/zinc/43/42/55/1129434255.db2.gz QZEJGNCADHXCON-SFHVURJKSA-N 2 1 325.456 3.695 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668056 1129458998 /nfs/dbraw/zinc/45/89/98/1129458998.db2.gz CQCOVEADGWCDHQ-MISYRCLQSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668056 1129458999 /nfs/dbraw/zinc/45/89/99/1129458999.db2.gz CQCOVEADGWCDHQ-MISYRCLQSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817674 1129680573 /nfs/dbraw/zinc/68/05/73/1129680573.db2.gz VQGFOHFIBPWOLP-VQTJNVASSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817674 1129680575 /nfs/dbraw/zinc/68/05/75/1129680575.db2.gz VQGFOHFIBPWOLP-VQTJNVASSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCS1 ZINC000922836433 1129682671 /nfs/dbraw/zinc/68/26/71/1129682671.db2.gz BTKOYFPZAXZZML-HNAYVOBHSA-N 2 1 336.520 3.706 20 0 EHADMP Cc1[nH+]ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1Cl ZINC000509053795 1129702868 /nfs/dbraw/zinc/70/28/68/1129702868.db2.gz OJHWUQBQAFAMQZ-UHFFFAOYSA-N 2 1 333.838 3.895 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658141408 1130193533 /nfs/dbraw/zinc/19/35/33/1130193533.db2.gz XBXUJGSYCJZZRK-PMACEKPBSA-N 2 1 344.524 3.946 20 0 EHADMP c1ccc([C@H](CC2CC2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675881131 1130500194 /nfs/dbraw/zinc/50/01/94/1130500194.db2.gz JRTBBBFEGRUTDH-RTWAWAEBSA-N 2 1 328.500 3.761 20 0 EHADMP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCCCn1cc[nH+]c1C ZINC000348047681 1131137269 /nfs/dbraw/zinc/13/72/69/1131137269.db2.gz PBDZYIOZJPNUEA-HXUWFJFHSA-N 2 1 327.472 3.990 20 0 EHADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000348047681 1131137272 /nfs/dbraw/zinc/13/72/72/1131137272.db2.gz PBDZYIOZJPNUEA-HXUWFJFHSA-N 2 1 327.472 3.990 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886036 1131553629 /nfs/dbraw/zinc/55/36/29/1131553629.db2.gz AXMFOHGFPOVGFZ-RRQGHBQHSA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886036 1131553633 /nfs/dbraw/zinc/55/36/33/1131553633.db2.gz AXMFOHGFPOVGFZ-RRQGHBQHSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886036 1131553638 /nfs/dbraw/zinc/55/36/38/1131553638.db2.gz AXMFOHGFPOVGFZ-RRQGHBQHSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886036 1131553642 /nfs/dbraw/zinc/55/36/42/1131553642.db2.gz AXMFOHGFPOVGFZ-RRQGHBQHSA-N 2 1 344.421 3.543 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000179928463 1131602815 /nfs/dbraw/zinc/60/28/15/1131602815.db2.gz MQJVUKVXCOIQKI-QFBILLFUSA-N 2 1 326.488 3.949 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000179928463 1131602818 /nfs/dbraw/zinc/60/28/18/1131602818.db2.gz MQJVUKVXCOIQKI-QFBILLFUSA-N 2 1 326.488 3.949 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000741788026 1131648895 /nfs/dbraw/zinc/64/88/95/1131648895.db2.gz OAINYIFCVOPKCR-TZIWHRDSSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000741788026 1131648897 /nfs/dbraw/zinc/64/88/97/1131648897.db2.gz OAINYIFCVOPKCR-TZIWHRDSSA-N 2 1 330.516 3.616 20 0 EHADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172432472 1131725914 /nfs/dbraw/zinc/72/59/14/1131725914.db2.gz BITHNQYRFMMVAK-BVOGOJNSSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001172448789 1131745852 /nfs/dbraw/zinc/74/58/52/1131745852.db2.gz BYAUDLIRBSHXGG-IBGZPJMESA-N 2 1 345.531 3.573 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172455213 1131750036 /nfs/dbraw/zinc/75/00/36/1131750036.db2.gz RJRLPHLYPCBCLP-KRWDZBQOSA-N 2 1 336.495 3.926 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172455213 1131750040 /nfs/dbraw/zinc/75/00/40/1131750040.db2.gz RJRLPHLYPCBCLP-KRWDZBQOSA-N 2 1 336.495 3.926 20 0 EHADMP CC[C@H]1CC[C@H](C2CCC(n3c[nH+]cc3C[C@@H]([NH3+])CO)CC2)CC1 ZINC001172585776 1131793155 /nfs/dbraw/zinc/79/31/55/1131793155.db2.gz FXSBGTGIAMNNFX-STJITEESSA-N 2 1 333.520 3.693 20 0 EHADMP CC1(C)CC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)O1 ZINC001172654242 1131800464 /nfs/dbraw/zinc/80/04/64/1131800464.db2.gz ZUZMYYJEMORVFE-IYARVYRRSA-N 2 1 345.531 3.890 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172657599 1131802853 /nfs/dbraw/zinc/80/28/53/1131802853.db2.gz USSYOMNINHJLIK-UHFFFAOYSA-N 2 1 331.504 3.665 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172826932 1131852987 /nfs/dbraw/zinc/85/29/87/1131852987.db2.gz YDJJWKCPUFNNEN-NZQKXSOJSA-N 2 1 334.507 3.964 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172844913 1131866394 /nfs/dbraw/zinc/86/63/94/1131866394.db2.gz ZHJNEDPZFCNTAY-LUKWVAJMSA-N 2 1 332.491 3.572 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172844913 1131866401 /nfs/dbraw/zinc/86/64/01/1131866401.db2.gz ZHJNEDPZFCNTAY-LUKWVAJMSA-N 2 1 332.491 3.572 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172920460 1131905459 /nfs/dbraw/zinc/90/54/59/1131905459.db2.gz RVTLJZHDTNICMJ-ALGQRKQJSA-N 2 1 328.500 3.729 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001173112566 1131969987 /nfs/dbraw/zinc/96/99/87/1131969987.db2.gz XNIUBVUHDCGKTG-UHFFFAOYSA-N 2 1 343.559 3.847 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001173274198 1132025648 /nfs/dbraw/zinc/02/56/48/1132025648.db2.gz DBLZIZMATONCEQ-QRVBRYPASA-N 2 1 346.515 3.914 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000381173755 1132474648 /nfs/dbraw/zinc/47/46/48/1132474648.db2.gz YHXFGRHIOQMYAB-CTNGQTDRSA-N 2 1 335.495 3.961 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000381173755 1132474652 /nfs/dbraw/zinc/47/46/52/1132474652.db2.gz YHXFGRHIOQMYAB-CTNGQTDRSA-N 2 1 335.495 3.961 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390589794 1132515045 /nfs/dbraw/zinc/51/50/45/1132515045.db2.gz RVTLJZHDTNICMJ-JPGZLTHCSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3OC(F)(F)F)C2 ZINC001169101192 1132656419 /nfs/dbraw/zinc/65/64/19/1132656419.db2.gz OZRZUWXFAUCYNS-NFFDBFGFSA-N 2 1 340.389 3.787 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124125 1132665319 /nfs/dbraw/zinc/66/53/19/1132665319.db2.gz MLVIPKUVNJKCGM-NSHGMRRFSA-N 2 1 334.548 3.968 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108581 1132669863 /nfs/dbraw/zinc/66/98/63/1132669863.db2.gz BVRVAPDNSZDNEH-QCEMKRCNSA-N 2 1 337.305 3.595 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCCCCCO)Cc1ccccc1)C2 ZINC001169153924 1132680617 /nfs/dbraw/zinc/68/06/17/1132680617.db2.gz MLFHBCXIDCHGBR-WKCHPHFGSA-N 2 1 330.516 3.667 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CCCCCCO)Cc1ccccc1)C2 ZINC001169153924 1132680620 /nfs/dbraw/zinc/68/06/20/1132680620.db2.gz MLFHBCXIDCHGBR-WKCHPHFGSA-N 2 1 330.516 3.667 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CCCCCCO)Cc1ccccc1)C2 ZINC001169153924 1132680622 /nfs/dbraw/zinc/68/06/22/1132680622.db2.gz MLFHBCXIDCHGBR-WKCHPHFGSA-N 2 1 330.516 3.667 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccnc(F)c3)c(F)c2)CC1 ZINC001169225321 1132700988 /nfs/dbraw/zinc/70/09/88/1132700988.db2.gz SGOLCZYCIPOVTE-UHFFFAOYSA-N 2 1 331.410 3.601 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)CC1 ZINC001169255239 1132710268 /nfs/dbraw/zinc/71/02/68/1132710268.db2.gz OAWIEQHMMUAWNB-UNMCSNQZSA-N 2 1 341.543 3.805 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)CC1 ZINC001169255239 1132710274 /nfs/dbraw/zinc/71/02/74/1132710274.db2.gz OAWIEQHMMUAWNB-UNMCSNQZSA-N 2 1 341.543 3.805 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206025691 1132904823 /nfs/dbraw/zinc/90/48/23/1132904823.db2.gz PBLJLVYUONUWQA-OCCSQVGLSA-N 2 1 325.294 3.564 20 0 EHADMP CC1(C)CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)N1O ZINC001169975822 1133055612 /nfs/dbraw/zinc/05/56/12/1133055612.db2.gz XJGJCADAHAGIPW-SFHVURJKSA-N 2 1 345.531 3.509 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1ccccc1O ZINC001177590536 1133083735 /nfs/dbraw/zinc/08/37/35/1133083735.db2.gz RHBGZSPQMPMQKZ-UHFFFAOYSA-N 2 1 326.484 3.683 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H](c2ccccc2)C1 ZINC001177864499 1133108412 /nfs/dbraw/zinc/10/84/12/1133108412.db2.gz LWNAQOVETAYLHS-JKLQHZFJSA-N 2 1 344.543 3.785 20 0 EHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC001178970950 1133217884 /nfs/dbraw/zinc/21/78/84/1133217884.db2.gz AWYSQGNTWAKTDK-BDKRGJGYSA-N 2 1 344.543 3.939 20 0 EHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC001178970950 1133217887 /nfs/dbraw/zinc/21/78/87/1133217887.db2.gz AWYSQGNTWAKTDK-BDKRGJGYSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000769686139 1133324830 /nfs/dbraw/zinc/32/48/30/1133324830.db2.gz VEYHVENLFFTDNY-QZWWFDLISA-N 2 1 341.540 3.531 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000769686139 1133324833 /nfs/dbraw/zinc/32/48/33/1133324833.db2.gz VEYHVENLFFTDNY-QZWWFDLISA-N 2 1 341.540 3.531 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC001180809100 1133418999 /nfs/dbraw/zinc/41/89/99/1133418999.db2.gz AEOBBWOWOFLRGW-LEWJYISDSA-N 2 1 342.527 3.846 20 0 EHADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001181427902 1133485663 /nfs/dbraw/zinc/48/56/63/1133485663.db2.gz QLKJZIHMNCBZCL-CTNGQTDRSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN(Cc2ccccc2)C1 ZINC001181427902 1133485668 /nfs/dbraw/zinc/48/56/68/1133485668.db2.gz QLKJZIHMNCBZCL-CTNGQTDRSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001181505426 1133495203 /nfs/dbraw/zinc/49/52/03/1133495203.db2.gz GRIARWNCUKFVIJ-UZKOGDIHSA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cncc(Cl)c3Cl)C2)CC1 ZINC001181515354 1133500860 /nfs/dbraw/zinc/50/08/60/1133500860.db2.gz SVLVDFDBPYSGPG-CYBMUJFWSA-N 2 1 328.287 3.552 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cncc(Cl)c3Cl)C2)CC1 ZINC001181515354 1133500864 /nfs/dbraw/zinc/50/08/64/1133500864.db2.gz SVLVDFDBPYSGPG-CYBMUJFWSA-N 2 1 328.287 3.552 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001181647081 1133508974 /nfs/dbraw/zinc/50/89/74/1133508974.db2.gz UEQQQNFXOBHJFU-AWEZNQCLSA-N 2 1 328.422 3.910 20 0 EHADMP CCCC[N@@H+](CC)[C@H](C(=O)NC(C)(C)CC[NH+](C)C)c1ccccc1 ZINC001182237788 1133604444 /nfs/dbraw/zinc/60/44/44/1133604444.db2.gz RZBKOKCARXRIAX-IBGZPJMESA-N 2 1 347.547 3.696 20 0 EHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001182826558 1133737650 /nfs/dbraw/zinc/73/76/50/1133737650.db2.gz SRUUVWUMQLUUDV-AHRSYUTCSA-N 2 1 330.516 3.558 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184387973 1133933613 /nfs/dbraw/zinc/93/36/13/1133933613.db2.gz ODICGIKABZTESN-DUFGSWQCSA-N 2 1 326.406 3.566 20 0 EHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CCCC(C)C)C2 ZINC001170079935 1134057125 /nfs/dbraw/zinc/05/71/25/1134057125.db2.gz GVVXLDGHGHELSQ-CEWLAPEOSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170079935 1134057132 /nfs/dbraw/zinc/05/71/32/1134057132.db2.gz GVVXLDGHGHELSQ-CEWLAPEOSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170079935 1134057140 /nfs/dbraw/zinc/05/71/40/1134057140.db2.gz GVVXLDGHGHELSQ-CEWLAPEOSA-N 2 1 336.564 3.882 20 0 EHADMP C[NH+]1CCC(C[N@@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000788477776 1134129547 /nfs/dbraw/zinc/12/95/47/1134129547.db2.gz YZOBDDODNLUKLM-UHFFFAOYSA-N 2 1 337.305 3.755 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000788594493 1134149675 /nfs/dbraw/zinc/14/96/75/1134149675.db2.gz NGZVQADHPFBQFN-QGZVFWFLSA-N 2 1 329.875 3.964 20 0 EHADMP C[C@H]1CCCN1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000788607792 1134150970 /nfs/dbraw/zinc/15/09/70/1134150970.db2.gz CQOTZYIUOVQGSV-PELRDEGISA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001170141666 1134447860 /nfs/dbraw/zinc/44/78/60/1134447860.db2.gz ZFBSTLGDZALHST-IRXDYDNUSA-N 2 1 334.529 3.604 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000790749348 1134461692 /nfs/dbraw/zinc/46/16/92/1134461692.db2.gz VJNDUHOFWXVPET-QGZVFWFLSA-N 2 1 340.515 3.953 20 0 EHADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145580 1134474352 /nfs/dbraw/zinc/47/43/52/1134474352.db2.gz UQBUWCHVQFTGQO-DIZVHYTASA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145580 1134474355 /nfs/dbraw/zinc/47/43/55/1134474355.db2.gz UQBUWCHVQFTGQO-DIZVHYTASA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145580 1134474356 /nfs/dbraw/zinc/47/43/56/1134474356.db2.gz UQBUWCHVQFTGQO-DIZVHYTASA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001170145580 1134474361 /nfs/dbraw/zinc/47/43/61/1134474361.db2.gz UQBUWCHVQFTGQO-DIZVHYTASA-N 2 1 327.516 3.803 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775388815 1134701763 /nfs/dbraw/zinc/70/17/63/1134701763.db2.gz UGPIYYMFWCOVRA-VQHPVUNQSA-N 2 1 342.618 3.856 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775388815 1134701769 /nfs/dbraw/zinc/70/17/69/1134701769.db2.gz UGPIYYMFWCOVRA-VQHPVUNQSA-N 2 1 342.618 3.856 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC001190456541 1134703698 /nfs/dbraw/zinc/70/36/98/1134703698.db2.gz AZZRLDZUCRYNIX-BGYRXZFFSA-N 2 1 335.580 3.552 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001190456541 1134703702 /nfs/dbraw/zinc/70/37/02/1134703702.db2.gz AZZRLDZUCRYNIX-BGYRXZFFSA-N 2 1 335.580 3.552 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001190456541 1134703708 /nfs/dbraw/zinc/70/37/08/1134703708.db2.gz AZZRLDZUCRYNIX-BGYRXZFFSA-N 2 1 335.580 3.552 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@@H+]2CCC[C@H]2C)ccc1OC ZINC000775392837 1134710516 /nfs/dbraw/zinc/71/05/16/1134710516.db2.gz KNLFDZKWMHKSPI-MSOLQXFVSA-N 2 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@H+]2CCC[C@H]2C)ccc1OC ZINC000775392837 1134710519 /nfs/dbraw/zinc/71/05/19/1134710519.db2.gz KNLFDZKWMHKSPI-MSOLQXFVSA-N 2 1 347.547 3.672 20 0 EHADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224527 1134722206 /nfs/dbraw/zinc/72/22/06/1134722206.db2.gz UJLODCGVAHIPAQ-SFTDATJTSA-N 2 1 330.516 3.931 20 0 EHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001191134497 1134808873 /nfs/dbraw/zinc/80/88/73/1134808873.db2.gz YUPJPJAYONPDRE-GHTZIAJQSA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134497 1134808882 /nfs/dbraw/zinc/80/88/82/1134808882.db2.gz YUPJPJAYONPDRE-GHTZIAJQSA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134497 1134808890 /nfs/dbraw/zinc/80/88/90/1134808890.db2.gz YUPJPJAYONPDRE-GHTZIAJQSA-N 2 1 330.516 3.919 20 0 EHADMP CO[C@H]1CCC[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000792874533 1134808880 /nfs/dbraw/zinc/80/88/80/1134808880.db2.gz UQDFBHNTSWFWQG-FPOVZHCZSA-N 2 1 345.531 3.834 20 0 EHADMP CCC[C@@]1(C)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254721 1134824580 /nfs/dbraw/zinc/82/45/80/1134824580.db2.gz BKQVSQISXHRHPV-SFTDATJTSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001191254721 1134824585 /nfs/dbraw/zinc/82/45/85/1134824585.db2.gz BKQVSQISXHRHPV-SFTDATJTSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@@]1(C)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001191254721 1134824590 /nfs/dbraw/zinc/82/45/90/1134824590.db2.gz BKQVSQISXHRHPV-SFTDATJTSA-N 2 1 330.516 3.526 20 0 EHADMP CCC[C@@]1(C)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001191254721 1134824595 /nfs/dbraw/zinc/82/45/95/1134824595.db2.gz BKQVSQISXHRHPV-SFTDATJTSA-N 2 1 330.516 3.526 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n(C)n1 ZINC000793523042 1134945595 /nfs/dbraw/zinc/94/55/95/1134945595.db2.gz HNZCXOXAJPLYFD-MSOLQXFVSA-N 2 1 340.515 3.954 20 0 EHADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205601397 1135023945 /nfs/dbraw/zinc/02/39/45/1135023945.db2.gz FDMFBZHQLDJIJI-ROUUACIJSA-N 2 1 326.525 3.587 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205627069 1135120951 /nfs/dbraw/zinc/12/09/51/1135120951.db2.gz MJGXKPCPWJKFED-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205627069 1135120954 /nfs/dbraw/zinc/12/09/54/1135120954.db2.gz MJGXKPCPWJKFED-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000775590608 1135124276 /nfs/dbraw/zinc/12/42/76/1135124276.db2.gz CLZFVYFXBOZNSW-SFHVURJKSA-N 2 1 342.886 3.565 20 0 EHADMP Clc1ccccc1CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195536001 1135437693 /nfs/dbraw/zinc/43/76/93/1135437693.db2.gz NAQVGHVEVLVORZ-UHFFFAOYSA-N 2 1 329.875 3.880 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CC(C)(C)CC(C)(C)C2)CC1 ZINC001195963942 1135494026 /nfs/dbraw/zinc/49/40/26/1135494026.db2.gz YEFJICKIGLKONG-UHFFFAOYSA-N 2 1 337.596 3.939 20 0 EHADMP COCC[N@H+](Cc1cc(C(C)C)ccc1OC)CC1CC[NH+](C)CC1 ZINC001196783388 1135609133 /nfs/dbraw/zinc/60/91/33/1135609133.db2.gz ZTXLWMVBRYQPHT-UHFFFAOYSA-N 2 1 348.531 3.609 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160466988 1135739243 /nfs/dbraw/zinc/73/92/43/1135739243.db2.gz WAAQZTUVQHMKOW-GHTZIAJQSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000160466988 1135739246 /nfs/dbraw/zinc/73/92/46/1135739246.db2.gz WAAQZTUVQHMKOW-GHTZIAJQSA-N 2 1 341.543 3.646 20 0 EHADMP CCc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001199020992 1135872548 /nfs/dbraw/zinc/87/25/48/1135872548.db2.gz AVCNWNJWRHVBCQ-UHFFFAOYSA-N 2 1 329.513 3.981 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OC ZINC001199037633 1135875131 /nfs/dbraw/zinc/87/51/31/1135875131.db2.gz AVPQWLOGBSTICY-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccnn2-c2ccccc2)cc1 ZINC000809737108 1135882944 /nfs/dbraw/zinc/88/29/44/1135882944.db2.gz DJBWZULGQBIYPB-UHFFFAOYSA-N 2 1 334.467 3.566 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccnn2-c2ccccc2)cc1 ZINC000809737108 1135882948 /nfs/dbraw/zinc/88/29/48/1135882948.db2.gz DJBWZULGQBIYPB-UHFFFAOYSA-N 2 1 334.467 3.566 20 0 EHADMP CC(C)N(C)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809738741 1135883502 /nfs/dbraw/zinc/88/35/02/1135883502.db2.gz HGVODAUZVPWBSS-UHFFFAOYSA-N 2 1 340.515 3.620 20 0 EHADMP Clc1ccccc1OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001201609258 1136046361 /nfs/dbraw/zinc/04/63/61/1136046361.db2.gz UGKWXGAZYLSHBJ-UHFFFAOYSA-N 2 1 344.886 3.973 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@@H](O)c4ccccc43)CC2)C1 ZINC000850529017 1136279480 /nfs/dbraw/zinc/27/94/80/1136279480.db2.gz MURBDSIYFBDOLT-YDPGBSGYSA-N 2 1 328.500 3.798 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850557504 1136285198 /nfs/dbraw/zinc/28/51/98/1136285198.db2.gz OLPVOAWYHXRVCW-MRXNPFEDSA-N 2 1 345.314 3.879 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4SCCS4)[C@H]3C2)cc1 ZINC000850562234 1136286562 /nfs/dbraw/zinc/28/65/62/1136286562.db2.gz YJRFQAWLXDLNLM-OKZBNKHCSA-N 2 1 348.581 3.683 20 0 EHADMP C[N@@H+](Cc1ccc2[nH]cnc2c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137049917 1136367013 /nfs/dbraw/zinc/36/70/13/1136367013.db2.gz HHYQUFDLZGMJMH-UHFFFAOYSA-N 2 1 326.488 3.792 20 0 EHADMP C[N@H+](Cc1ccc2nc[nH]c2c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137049917 1136367016 /nfs/dbraw/zinc/36/70/16/1136367016.db2.gz HHYQUFDLZGMJMH-UHFFFAOYSA-N 2 1 326.488 3.792 20 0 EHADMP C[N@@H+](Cc1ccc2nc[nH]c2c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137049917 1136367018 /nfs/dbraw/zinc/36/70/18/1136367018.db2.gz HHYQUFDLZGMJMH-UHFFFAOYSA-N 2 1 326.488 3.792 20 0 EHADMP COc1ccc([C@@H](C)NC[C@@H](C)C[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000813876961 1136371305 /nfs/dbraw/zinc/37/13/05/1136371305.db2.gz FPAPTFRLVABPJJ-QZTJIDSGSA-N 2 1 347.547 3.529 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC000813881649 1136372246 /nfs/dbraw/zinc/37/22/46/1136372246.db2.gz RKKWOUNRAUSCSN-AMGDKJTDSA-N 2 1 342.527 3.977 20 0 EHADMP COC(=[NH2+])c1cccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1 ZINC001170752665 1136477679 /nfs/dbraw/zinc/47/76/79/1136477679.db2.gz UNNQDKLXCAEAPN-FQEVSTJZSA-N 2 1 337.467 3.777 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)C[C@@H]1C ZINC000815057653 1136541936 /nfs/dbraw/zinc/54/19/36/1136541936.db2.gz WOAVSXFMGNTMGO-CDXJDZJCSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@@H]1C ZINC000815057653 1136541937 /nfs/dbraw/zinc/54/19/37/1136541937.db2.gz WOAVSXFMGNTMGO-CDXJDZJCSA-N 2 1 326.484 3.678 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2cccc3ccccc32)C[C@@H]1C ZINC000815057653 1136541939 /nfs/dbraw/zinc/54/19/39/1136541939.db2.gz WOAVSXFMGNTMGO-CDXJDZJCSA-N 2 1 326.484 3.678 20 0 EHADMP CCCCCCc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854232889 1136600620 /nfs/dbraw/zinc/60/06/20/1136600620.db2.gz XFGAYNUWSZGRDK-HNNXBMFYSA-N 2 1 342.487 3.615 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2C)[C@@H](C)C1 ZINC000815580407 1136614297 /nfs/dbraw/zinc/61/42/97/1136614297.db2.gz JSDSAJQRWJGUOO-ZWOKBUDYSA-N 2 1 336.495 3.922 20 0 EHADMP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000543702768 1136655202 /nfs/dbraw/zinc/65/52/02/1136655202.db2.gz PGFVTZYLJKPSMJ-HRAATJIYSA-N 2 1 342.458 3.855 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170822646 1136711370 /nfs/dbraw/zinc/71/13/70/1136711370.db2.gz QZULOSKLOGXELH-SEVLPDGMSA-N 2 1 328.500 3.666 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170822646 1136711373 /nfs/dbraw/zinc/71/13/73/1136711373.db2.gz QZULOSKLOGXELH-SEVLPDGMSA-N 2 1 328.500 3.666 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170822646 1136711378 /nfs/dbraw/zinc/71/13/78/1136711378.db2.gz QZULOSKLOGXELH-SEVLPDGMSA-N 2 1 328.500 3.666 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(C)CCC3)C2)ccn1 ZINC000856561427 1136795784 /nfs/dbraw/zinc/79/57/84/1136795784.db2.gz VMZDXCNSWANNSR-IBGZPJMESA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561427 1136795785 /nfs/dbraw/zinc/79/57/85/1136795785.db2.gz VMZDXCNSWANNSR-IBGZPJMESA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561427 1136795788 /nfs/dbraw/zinc/79/57/88/1136795788.db2.gz VMZDXCNSWANNSR-IBGZPJMESA-N 2 1 331.504 3.565 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](O)c1c(F)cccc1F ZINC000817916732 1136845848 /nfs/dbraw/zinc/84/58/48/1136845848.db2.gz BECYFHFESMKZAM-IMBTUZDBSA-N 2 1 332.394 3.511 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000818338823 1136872198 /nfs/dbraw/zinc/87/21/98/1136872198.db2.gz BYBHPQJVZQJQKO-PPGORRQASA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857847303 1136911657 /nfs/dbraw/zinc/91/16/57/1136911657.db2.gz MTIPAWTUFRIDBA-OXQOHEQNSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857847303 1136911659 /nfs/dbraw/zinc/91/16/59/1136911659.db2.gz MTIPAWTUFRIDBA-OXQOHEQNSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847303 1136911664 /nfs/dbraw/zinc/91/16/64/1136911664.db2.gz MTIPAWTUFRIDBA-OXQOHEQNSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847303 1136911667 /nfs/dbraw/zinc/91/16/67/1136911667.db2.gz MTIPAWTUFRIDBA-OXQOHEQNSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000857847770 1136912371 /nfs/dbraw/zinc/91/23/71/1136912371.db2.gz XUTIUONMXPWFDZ-UZLBHIALSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857847770 1136912379 /nfs/dbraw/zinc/91/23/79/1136912379.db2.gz XUTIUONMXPWFDZ-UZLBHIALSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857847770 1136912382 /nfs/dbraw/zinc/91/23/82/1136912382.db2.gz XUTIUONMXPWFDZ-UZLBHIALSA-N 2 1 338.499 3.951 20 0 EHADMP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000857916378 1136922028 /nfs/dbraw/zinc/92/20/28/1136922028.db2.gz OUCOSWIFYXLQDX-FGTMMUONSA-N 2 1 341.886 3.657 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000857916378 1136922032 /nfs/dbraw/zinc/92/20/32/1136922032.db2.gz OUCOSWIFYXLQDX-FGTMMUONSA-N 2 1 341.886 3.657 20 0 EHADMP C[C@H](O)CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170938418 1136961655 /nfs/dbraw/zinc/96/16/55/1136961655.db2.gz IZNRMXSSPHCIQJ-UGKGYDQZSA-N 2 1 344.543 3.914 20 0 EHADMP C[C@@H](O)C[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820811026 1137005481 /nfs/dbraw/zinc/00/54/81/1137005481.db2.gz JKYDKHZXJDJOME-LVNQGSGBSA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)Oc1ccnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212912 1137008045 /nfs/dbraw/zinc/00/80/45/1137008045.db2.gz PDADEMPCBQXHJV-UHFFFAOYSA-N 2 1 327.472 3.562 20 0 EHADMP CC(C)Oc1ccnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212912 1137008047 /nfs/dbraw/zinc/00/80/47/1137008047.db2.gz PDADEMPCBQXHJV-UHFFFAOYSA-N 2 1 327.472 3.562 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccncc3F)cc2)CC1 ZINC000823553249 1137105741 /nfs/dbraw/zinc/10/57/41/1137105741.db2.gz AMKGEJASLSTBAS-UHFFFAOYSA-N 2 1 342.462 3.611 20 0 EHADMP Cc1c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862290612 1137137380 /nfs/dbraw/zinc/13/73/80/1137137380.db2.gz APCWVDBCPBMIGX-QFBILLFUSA-N 2 1 341.474 3.919 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149711 1137249235 /nfs/dbraw/zinc/24/92/35/1137249235.db2.gz LZYNMXBDBAACAP-ZLENFMNRSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149711 1137249237 /nfs/dbraw/zinc/24/92/37/1137249237.db2.gz LZYNMXBDBAACAP-ZLENFMNRSA-N 2 1 327.299 3.781 20 0 EHADMP c1nc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cn1C1CC1 ZINC000865436796 1137283588 /nfs/dbraw/zinc/28/35/88/1137283588.db2.gz QEOHKXZWHNZOOE-UHFFFAOYSA-N 2 1 338.499 3.884 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc12 ZINC000865463397 1137285981 /nfs/dbraw/zinc/28/59/81/1137285981.db2.gz YKXIFXSEWUIVLX-SFHVURJKSA-N 2 1 342.458 3.712 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCSC3)CC23CC3)cc1 ZINC000865650417 1137301585 /nfs/dbraw/zinc/30/15/85/1137301585.db2.gz CXZGSIGGTVMMDO-MOPGFXCFSA-N 2 1 330.541 3.916 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCSC3)CC23CC3)cc1 ZINC000865650417 1137301587 /nfs/dbraw/zinc/30/15/87/1137301587.db2.gz CXZGSIGGTVMMDO-MOPGFXCFSA-N 2 1 330.541 3.916 20 0 EHADMP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)cc1Br ZINC001144588532 1137313595 /nfs/dbraw/zinc/31/35/95/1137313595.db2.gz QZCPMHYMIFJPCW-UHFFFAOYSA-N 2 1 343.284 3.670 20 0 EHADMP Cc1cccc([C@H](O)C[N@@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccccc2)c1 ZINC000846222331 1137342294 /nfs/dbraw/zinc/34/22/94/1137342294.db2.gz MMRHJNZWIZVTOO-SIKLNZKXSA-N 2 1 338.495 3.530 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866538063 1137363001 /nfs/dbraw/zinc/36/30/01/1137363001.db2.gz NGQFBUPFJQYFRY-MQGJPIDWSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001247006193 1137416461 /nfs/dbraw/zinc/41/64/61/1137416461.db2.gz WKAQBRFQVXYUKB-UPJWGTAASA-N 2 1 325.294 3.971 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171326212 1137420415 /nfs/dbraw/zinc/42/04/15/1137420415.db2.gz LFPLDDNCFKPFFT-AWEZNQCLSA-N 2 1 345.874 3.742 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)oc1C ZINC000282709651 1137439901 /nfs/dbraw/zinc/43/99/01/1137439901.db2.gz LJMWBDGFSSTMGF-JXFKEZNVSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)oc1C ZINC000282709651 1137439903 /nfs/dbraw/zinc/43/99/03/1137439903.db2.gz LJMWBDGFSSTMGF-JXFKEZNVSA-N 2 1 342.483 3.704 20 0 EHADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624481 1137487868 /nfs/dbraw/zinc/48/78/68/1137487868.db2.gz HJBBQQYASPQFJH-XBVQOTNRSA-N 2 1 326.406 3.970 20 0 EHADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624479 1137488122 /nfs/dbraw/zinc/48/81/22/1137488122.db2.gz HJBBQQYASPQFJH-IWCQGFGOSA-N 2 1 326.406 3.970 20 0 EHADMP Cc1cccnc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681431 1137488663 /nfs/dbraw/zinc/48/86/63/1137488663.db2.gz WZDGVIFKVTUAAU-ACRUOGEOSA-N 2 1 335.495 3.575 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171487452 1137491425 /nfs/dbraw/zinc/49/14/25/1137491425.db2.gz JTZKJESLZLMYCJ-GOSISDBHSA-N 2 1 336.470 3.874 20 0 EHADMP CC(=O)CC(C)(C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001171500221 1137494393 /nfs/dbraw/zinc/49/43/93/1137494393.db2.gz ZVCRDIAZFYUCNZ-MRXNPFEDSA-N 2 1 328.460 3.521 20 0 EHADMP COc1ccc(CC[N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1OC ZINC001171629482 1137499732 /nfs/dbraw/zinc/49/97/32/1137499732.db2.gz STMJQPWSTRSKKE-UHFFFAOYSA-N 2 1 348.531 3.830 20 0 EHADMP C=C/C=C/CC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171637296 1137504147 /nfs/dbraw/zinc/50/41/47/1137504147.db2.gz URPWEVIXMMXUGD-SMJNTDKHSA-N 2 1 328.500 3.860 20 0 EHADMP C=C/C=C/CC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171637296 1137504148 /nfs/dbraw/zinc/50/41/48/1137504148.db2.gz URPWEVIXMMXUGD-SMJNTDKHSA-N 2 1 328.500 3.860 20 0 EHADMP C=C/C=C/CC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001171637296 1137504150 /nfs/dbraw/zinc/50/41/50/1137504150.db2.gz URPWEVIXMMXUGD-SMJNTDKHSA-N 2 1 328.500 3.860 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171643471 1137505214 /nfs/dbraw/zinc/50/52/14/1137505214.db2.gz USKCCISEMGXZAY-OAHLLOKOSA-N 2 1 338.536 3.692 20 0 EHADMP C[C@@H]1C[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171725302 1137506368 /nfs/dbraw/zinc/50/63/68/1137506368.db2.gz IYYLPXUEFGPPMW-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725302 1137506369 /nfs/dbraw/zinc/50/63/69/1137506369.db2.gz IYYLPXUEFGPPMW-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725302 1137506371 /nfs/dbraw/zinc/50/63/71/1137506371.db2.gz IYYLPXUEFGPPMW-DYQZNNLLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732486 1137507047 /nfs/dbraw/zinc/50/70/47/1137507047.db2.gz BBCONVFNFHQVSF-GCJKJVERSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CN1Cc1ccccc1 ZINC001171732486 1137507049 /nfs/dbraw/zinc/50/70/49/1137507049.db2.gz BBCONVFNFHQVSF-GCJKJVERSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](n2cncc2-c2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171739328 1137510826 /nfs/dbraw/zinc/51/08/26/1137510826.db2.gz BXQIFAQDTHITCL-UTKZUKDTSA-N 2 1 346.478 3.844 20 0 EHADMP Fc1cccc2c1C[C@H](N1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001171797690 1137513098 /nfs/dbraw/zinc/51/30/98/1137513098.db2.gz XPOLYCKLLQWFJW-GOSISDBHSA-N 2 1 328.475 3.633 20 0 EHADMP Fc1cccc2c1C[C@H]([NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001171797690 1137513099 /nfs/dbraw/zinc/51/30/99/1137513099.db2.gz XPOLYCKLLQWFJW-GOSISDBHSA-N 2 1 328.475 3.633 20 0 EHADMP Fc1cccc2c1C[C@H]([NH+]1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001171797690 1137513100 /nfs/dbraw/zinc/51/31/00/1137513100.db2.gz XPOLYCKLLQWFJW-GOSISDBHSA-N 2 1 328.475 3.633 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171965659 1137520565 /nfs/dbraw/zinc/52/05/65/1137520565.db2.gz ITYJINCQPNGNKN-NRFANRHFSA-N 2 1 343.559 3.894 20 0 EHADMP CC1(C)C[C@@H]([NH+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988962 1137522380 /nfs/dbraw/zinc/52/23/80/1137522380.db2.gz YAZLORNAKSJMHN-AFDCHOCNSA-N 2 1 340.511 3.539 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988962 1137522381 /nfs/dbraw/zinc/52/23/81/1137522381.db2.gz YAZLORNAKSJMHN-AFDCHOCNSA-N 2 1 340.511 3.539 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988962 1137522382 /nfs/dbraw/zinc/52/23/82/1137522382.db2.gz YAZLORNAKSJMHN-AFDCHOCNSA-N 2 1 340.511 3.539 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc3nccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC001171975338 1137524592 /nfs/dbraw/zinc/52/45/92/1137524592.db2.gz DPXOZFCBRNTOGT-FQEVSTJZSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc3nccn3c2)CC[N@H+]1Cc1ccccc1 ZINC001171975338 1137524593 /nfs/dbraw/zinc/52/45/93/1137524593.db2.gz DPXOZFCBRNTOGT-FQEVSTJZSA-N 2 1 348.494 3.867 20 0 EHADMP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974719 1137524690 /nfs/dbraw/zinc/52/46/90/1137524690.db2.gz IVWQOGTVVIOZLL-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974719 1137524692 /nfs/dbraw/zinc/52/46/92/1137524692.db2.gz IVWQOGTVVIOZLL-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975962 1137525392 /nfs/dbraw/zinc/52/53/92/1137525392.db2.gz OFBRBQJWWMIFEJ-DQVLVPHSSA-N 3 1 343.559 3.927 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CCN1Cc1ccccc1 ZINC001171975962 1137525393 /nfs/dbraw/zinc/52/53/93/1137525393.db2.gz OFBRBQJWWMIFEJ-DQVLVPHSSA-N 2 1 343.559 3.927 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979959 1137526524 /nfs/dbraw/zinc/52/65/24/1137526524.db2.gz HCIFDEGJGKYRJE-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979959 1137526526 /nfs/dbraw/zinc/52/65/26/1137526526.db2.gz HCIFDEGJGKYRJE-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979959 1137526527 /nfs/dbraw/zinc/52/65/27/1137526527.db2.gz HCIFDEGJGKYRJE-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP Cc1ccnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171983539 1137527169 /nfs/dbraw/zinc/52/71/69/1137527169.db2.gz PBCYHSHAMGXFTB-OAQYLSRUSA-N 2 1 337.511 3.965 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171987816 1137527817 /nfs/dbraw/zinc/52/78/17/1137527817.db2.gz KDRBBNUGNLQIBU-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987816 1137527819 /nfs/dbraw/zinc/52/78/19/1137527819.db2.gz KDRBBNUGNLQIBU-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987816 1137527821 /nfs/dbraw/zinc/52/78/21/1137527821.db2.gz KDRBBNUGNLQIBU-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987816 1137527822 /nfs/dbraw/zinc/52/78/22/1137527822.db2.gz KDRBBNUGNLQIBU-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP C[N@@H+](C1CC1)[C@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986336 1137528014 /nfs/dbraw/zinc/52/80/14/1137528014.db2.gz GRIMERYXPKOZAT-SFTDATJTSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986336 1137528016 /nfs/dbraw/zinc/52/80/16/1137528016.db2.gz GRIMERYXPKOZAT-SFTDATJTSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986336 1137528018 /nfs/dbraw/zinc/52/80/18/1137528018.db2.gz GRIMERYXPKOZAT-SFTDATJTSA-N 2 1 341.543 3.598 20 0 EHADMP CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987293 1137528149 /nfs/dbraw/zinc/52/81/49/1137528149.db2.gz SWVMXZGYJSSYOV-VQTJNVASSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987293 1137528151 /nfs/dbraw/zinc/52/81/51/1137528151.db2.gz SWVMXZGYJSSYOV-VQTJNVASSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987293 1137528152 /nfs/dbraw/zinc/52/81/52/1137528152.db2.gz SWVMXZGYJSSYOV-VQTJNVASSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987293 1137528154 /nfs/dbraw/zinc/52/81/54/1137528154.db2.gz SWVMXZGYJSSYOV-VQTJNVASSA-N 2 1 330.516 3.786 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CC24CCOCC4)C3)cc1 ZINC001172073453 1137529751 /nfs/dbraw/zinc/52/97/51/1137529751.db2.gz RLLHOKHHXQFCQF-WOZUAGRISA-N 2 1 340.511 3.731 20 0 EHADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072403 1137529871 /nfs/dbraw/zinc/52/98/71/1137529871.db2.gz MALLVYIIIYQHJI-MYGLTJDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072403 1137529873 /nfs/dbraw/zinc/52/98/73/1137529873.db2.gz MALLVYIIIYQHJI-MYGLTJDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072403 1137529875 /nfs/dbraw/zinc/52/98/75/1137529875.db2.gz MALLVYIIIYQHJI-MYGLTJDJSA-N 2 1 341.543 3.646 20 0 EHADMP CN(C1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075166 1137530311 /nfs/dbraw/zinc/53/03/11/1137530311.db2.gz BVNQQRYSFYNBQT-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP O[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076416 1137530464 /nfs/dbraw/zinc/53/04/64/1137530464.db2.gz JBUSEOGNVKWVKI-QMCAAQAGSA-N 2 1 342.527 3.713 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001172099703 1137533226 /nfs/dbraw/zinc/53/32/26/1137533226.db2.gz MWCKRRNQGHLZOJ-ZSOGYDGISA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001172099703 1137533227 /nfs/dbraw/zinc/53/32/27/1137533227.db2.gz MWCKRRNQGHLZOJ-ZSOGYDGISA-N 2 1 341.268 3.693 20 0 EHADMP CC(C)[N@H+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172066566 1137533666 /nfs/dbraw/zinc/53/36/66/1137533666.db2.gz ZUCVNYGFIIINJE-KJJMTIBFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066566 1137533668 /nfs/dbraw/zinc/53/36/68/1137533668.db2.gz ZUCVNYGFIIINJE-KJJMTIBFSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066566 1137533670 /nfs/dbraw/zinc/53/36/70/1137533670.db2.gz ZUCVNYGFIIINJE-KJJMTIBFSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067608 1137534120 /nfs/dbraw/zinc/53/41/20/1137534120.db2.gz DWLYLJKSAPOXGB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067608 1137534121 /nfs/dbraw/zinc/53/41/21/1137534121.db2.gz DWLYLJKSAPOXGB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067608 1137534123 /nfs/dbraw/zinc/53/41/23/1137534123.db2.gz DWLYLJKSAPOXGB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@]1(O)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067608 1137534125 /nfs/dbraw/zinc/53/41/25/1137534125.db2.gz DWLYLJKSAPOXGB-CBPXPLCBSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172067900 1137534320 /nfs/dbraw/zinc/53/43/20/1137534320.db2.gz GIIPOOIHMVNGBL-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172067900 1137534321 /nfs/dbraw/zinc/53/43/21/1137534321.db2.gz GIIPOOIHMVNGBL-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172067900 1137534322 /nfs/dbraw/zinc/53/43/22/1137534322.db2.gz GIIPOOIHMVNGBL-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172067900 1137534323 /nfs/dbraw/zinc/53/43/23/1137534323.db2.gz GIIPOOIHMVNGBL-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125309 1137534950 /nfs/dbraw/zinc/53/49/50/1137534950.db2.gz PGKSAFZHRXWICH-YDZRNGNQSA-N 2 1 334.504 3.931 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125309 1137534952 /nfs/dbraw/zinc/53/49/52/1137534952.db2.gz PGKSAFZHRXWICH-YDZRNGNQSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125309 1137534954 /nfs/dbraw/zinc/53/49/54/1137534954.db2.gz PGKSAFZHRXWICH-YDZRNGNQSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125309 1137534956 /nfs/dbraw/zinc/53/49/56/1137534956.db2.gz PGKSAFZHRXWICH-YDZRNGNQSA-N 2 1 334.504 3.931 20 0 EHADMP Cc1ccc([C@@]2(C)C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001172128539 1137535321 /nfs/dbraw/zinc/53/53/21/1137535321.db2.gz SCRTVBJIKNOMMW-IVAOSVALSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@@]2(C)C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001172128539 1137535322 /nfs/dbraw/zinc/53/53/22/1137535322.db2.gz SCRTVBJIKNOMMW-IVAOSVALSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@@]2(C)C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128539 1137535323 /nfs/dbraw/zinc/53/53/23/1137535323.db2.gz SCRTVBJIKNOMMW-IVAOSVALSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@@]2(C)C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128539 1137535324 /nfs/dbraw/zinc/53/53/24/1137535324.db2.gz SCRTVBJIKNOMMW-IVAOSVALSA-N 2 1 328.500 3.558 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001172102759 1137536443 /nfs/dbraw/zinc/53/64/43/1137536443.db2.gz OUENQPVJTNUGDO-QDMKHBRRSA-N 2 1 328.378 3.690 20 0 EHADMP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113799 1137537593 /nfs/dbraw/zinc/53/75/93/1137537593.db2.gz MLXACDILQNMNFL-FFGOWVMKSA-N 2 1 330.516 3.963 20 0 EHADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113799 1137537595 /nfs/dbraw/zinc/53/75/95/1137537595.db2.gz MLXACDILQNMNFL-FFGOWVMKSA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113799 1137537596 /nfs/dbraw/zinc/53/75/96/1137537596.db2.gz MLXACDILQNMNFL-FFGOWVMKSA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113799 1137537598 /nfs/dbraw/zinc/53/75/98/1137537598.db2.gz MLXACDILQNMNFL-FFGOWVMKSA-N 2 1 330.516 3.963 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112466 1137537632 /nfs/dbraw/zinc/53/76/32/1137537632.db2.gz XFHDFKZQBWRBTO-PLACYPQZSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112466 1137537633 /nfs/dbraw/zinc/53/76/33/1137537633.db2.gz XFHDFKZQBWRBTO-PLACYPQZSA-N 2 1 346.490 3.898 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172187604 1137539250 /nfs/dbraw/zinc/53/92/50/1137539250.db2.gz NZYJFVWJOMMWKB-GOSISDBHSA-N 2 1 339.508 3.665 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001172255438 1137544837 /nfs/dbraw/zinc/54/48/37/1137544837.db2.gz RARUMCBKXSQDIB-UHFFFAOYSA-N 2 1 334.479 3.506 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336234 1137551554 /nfs/dbraw/zinc/55/15/54/1137551554.db2.gz SCSVEUZYDIDBEV-PIKOESSRSA-N 2 1 333.520 3.747 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1F ZINC000872026149 1137565875 /nfs/dbraw/zinc/56/58/75/1137565875.db2.gz BRKAPZBIQCXEDZ-QGZVFWFLSA-N 2 1 343.446 3.901 20 0 EHADMP CC1(C)CO[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000872106178 1137571394 /nfs/dbraw/zinc/57/13/94/1137571394.db2.gz OJQSHRCKKANSCS-YSTOQKLRSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@@H]2CCC[C@@H]21 ZINC000872115657 1137572152 /nfs/dbraw/zinc/57/21/52/1137572152.db2.gz GAOOKRSHGAJECO-IHRRRGAJSA-N 2 1 347.812 3.716 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@@H]2CCC[C@@H]21 ZINC000872115657 1137572153 /nfs/dbraw/zinc/57/21/53/1137572153.db2.gz GAOOKRSHGAJECO-IHRRRGAJSA-N 2 1 347.812 3.716 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131012 1137573308 /nfs/dbraw/zinc/57/33/08/1137573308.db2.gz VCCQSXBVYYOUQU-GFCCVEGCSA-N 2 1 327.394 3.625 20 0 EHADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1cccc2ccccc21 ZINC000872155284 1137573908 /nfs/dbraw/zinc/57/39/08/1137573908.db2.gz QIOKLOVRXLZVMR-UHFFFAOYSA-N 2 1 327.472 3.619 20 0 EHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1)C1CCCC1 ZINC000872157211 1137574295 /nfs/dbraw/zinc/57/42/95/1137574295.db2.gz NOIZDPNRYQNGME-WBVHZDCISA-N 2 1 331.504 3.673 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Br)c(C)s1 ZINC000873062222 1137589282 /nfs/dbraw/zinc/58/92/82/1137589282.db2.gz YUUKTSANCVULSY-UHFFFAOYSA-N 2 1 342.306 3.894 20 0 EHADMP c1c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873204455 1137593917 /nfs/dbraw/zinc/59/39/17/1137593917.db2.gz CCWWNJGBLYDPKK-GOSISDBHSA-N 2 1 330.522 3.684 20 0 EHADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231743 1137594572 /nfs/dbraw/zinc/59/45/72/1137594572.db2.gz CZJRNUXLRBUSFK-PXNSSMCTSA-N 2 1 332.536 3.892 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780211 1137661116 /nfs/dbraw/zinc/66/11/16/1137661116.db2.gz FGWNSFFPCJEIOY-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780211 1137661117 /nfs/dbraw/zinc/66/11/17/1137661117.db2.gz FGWNSFFPCJEIOY-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780211 1137661118 /nfs/dbraw/zinc/66/11/18/1137661118.db2.gz FGWNSFFPCJEIOY-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876780211 1137661119 /nfs/dbraw/zinc/66/11/19/1137661119.db2.gz FGWNSFFPCJEIOY-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1F ZINC000876970888 1137666713 /nfs/dbraw/zinc/66/67/13/1137666713.db2.gz FPPCKDZVIWYUEO-GFCCVEGCSA-N 2 1 328.218 3.603 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000877049107 1137668694 /nfs/dbraw/zinc/66/86/94/1137668694.db2.gz QLGIEGRQVQVYMX-MISYRCLQSA-N 2 1 342.508 3.739 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000877049107 1137668695 /nfs/dbraw/zinc/66/86/95/1137668695.db2.gz QLGIEGRQVQVYMX-MISYRCLQSA-N 2 1 342.508 3.739 20 0 EHADMP CCOC(CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OCC ZINC000877467022 1137677184 /nfs/dbraw/zinc/67/71/84/1137677184.db2.gz VMKSIFAUJSUQJJ-UYAOXDASSA-N 2 1 346.515 3.733 20 0 EHADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OCC ZINC000877467022 1137677185 /nfs/dbraw/zinc/67/71/85/1137677185.db2.gz VMKSIFAUJSUQJJ-UYAOXDASSA-N 2 1 346.515 3.733 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878148615 1137704401 /nfs/dbraw/zinc/70/44/01/1137704401.db2.gz QMBXFNRCVMUTCW-JBACZVJFSA-N 2 1 330.516 3.961 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878337054 1137711412 /nfs/dbraw/zinc/71/14/12/1137711412.db2.gz AHJYORZXRIURJW-JBACZVJFSA-N 2 1 343.515 3.578 20 0 EHADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878339580 1137711452 /nfs/dbraw/zinc/71/14/52/1137711452.db2.gz OSUKFARTJYTQAB-VQTJNVASSA-N 2 1 328.500 3.857 20 0 EHADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000878339580 1137711453 /nfs/dbraw/zinc/71/14/53/1137711453.db2.gz OSUKFARTJYTQAB-VQTJNVASSA-N 2 1 328.500 3.857 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878446380 1137716436 /nfs/dbraw/zinc/71/64/36/1137716436.db2.gz FSYBFGWUEYJINO-BBWFWOEESA-N 2 1 332.479 3.539 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578182 1137751510 /nfs/dbraw/zinc/75/15/10/1137751510.db2.gz BQHACZNHWBALNN-AZUAARDMSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578182 1137751511 /nfs/dbraw/zinc/75/15/11/1137751511.db2.gz BQHACZNHWBALNN-AZUAARDMSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578182 1137751512 /nfs/dbraw/zinc/75/15/12/1137751512.db2.gz BQHACZNHWBALNN-AZUAARDMSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578182 1137751513 /nfs/dbraw/zinc/75/15/13/1137751513.db2.gz BQHACZNHWBALNN-AZUAARDMSA-N 2 1 340.515 3.541 20 0 EHADMP C[C@H](c1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579538 1137751601 /nfs/dbraw/zinc/75/16/01/1137751601.db2.gz NJRXXHIAMDGVQJ-XYPHTWIQSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579538 1137751602 /nfs/dbraw/zinc/75/16/02/1137751602.db2.gz NJRXXHIAMDGVQJ-XYPHTWIQSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1)C(F)(F)F ZINC000879579538 1137751603 /nfs/dbraw/zinc/75/16/03/1137751603.db2.gz NJRXXHIAMDGVQJ-XYPHTWIQSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1)C(F)(F)F ZINC000879579538 1137751604 /nfs/dbraw/zinc/75/16/04/1137751604.db2.gz NJRXXHIAMDGVQJ-XYPHTWIQSA-N 2 1 326.406 3.878 20 0 EHADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCOCC2)cc1 ZINC000883173919 1137847286 /nfs/dbraw/zinc/84/72/86/1137847286.db2.gz WYNMUDHRCQKYNH-AQNXPRMDSA-N 2 1 332.463 3.510 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1sccc1Cl ZINC000883188611 1137847803 /nfs/dbraw/zinc/84/78/03/1137847803.db2.gz NEWSXABDVFLWAG-DZGCQCFKSA-N 2 1 330.925 3.679 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883228463 1137849531 /nfs/dbraw/zinc/84/95/31/1137849531.db2.gz NDKRMSGGGOIMRH-OXQOHEQNSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883381740 1137858443 /nfs/dbraw/zinc/85/84/43/1137858443.db2.gz SDXSNYSFFBYBHN-UHFFFAOYSA-N 2 1 342.527 3.978 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264614 1137886773 /nfs/dbraw/zinc/88/67/73/1137886773.db2.gz NWABJZKVVRBWJK-GDBMZVCRSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264614 1137886774 /nfs/dbraw/zinc/88/67/74/1137886774.db2.gz NWABJZKVVRBWJK-GDBMZVCRSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264614 1137886775 /nfs/dbraw/zinc/88/67/75/1137886775.db2.gz NWABJZKVVRBWJK-GDBMZVCRSA-N 2 1 331.435 3.631 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2)C1CC1 ZINC000886623400 1138103355 /nfs/dbraw/zinc/10/33/55/1138103355.db2.gz CQJFJCHNKNRQBL-ONTIZHBOSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000886623400 1138103356 /nfs/dbraw/zinc/10/33/56/1138103356.db2.gz CQJFJCHNKNRQBL-ONTIZHBOSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886623400 1138103357 /nfs/dbraw/zinc/10/33/57/1138103357.db2.gz CQJFJCHNKNRQBL-ONTIZHBOSA-N 3 1 341.543 3.504 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886636207 1138104128 /nfs/dbraw/zinc/10/41/28/1138104128.db2.gz HTXFMMGFEJUDJU-NNWRFLSQSA-N 2 1 335.495 3.575 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CC4(CCC4)CO2)C3)cc1 ZINC000886701243 1138118750 /nfs/dbraw/zinc/11/87/50/1138118750.db2.gz MUCPKZWRXHNBNC-MXEMCNAFSA-N 2 1 340.511 3.731 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136615 1138220749 /nfs/dbraw/zinc/22/07/49/1138220749.db2.gz XQSNVFJXLZOWAS-INIZCTEOSA-N 2 1 348.450 3.756 20 0 EHADMP C[C@@H]1C[N@@H+](CCCc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205983205 1138263063 /nfs/dbraw/zinc/26/30/63/1138263063.db2.gz OIYKRSLEJQBSCK-ZBFHGGJFSA-N 2 1 339.321 3.689 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000125755197 1138315462 /nfs/dbraw/zinc/31/54/62/1138315462.db2.gz HPWBNUVODISDTQ-IRXDYDNUSA-N 2 1 334.504 3.783 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000125755427 1138315756 /nfs/dbraw/zinc/31/57/56/1138315756.db2.gz HPWBNUVODISDTQ-IAGOWNOFSA-N 2 1 334.504 3.783 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1c(Cl)cnn1C ZINC000130507613 1138458999 /nfs/dbraw/zinc/45/89/99/1138458999.db2.gz SFTJZZDEUQEVMH-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CCN1C ZINC000130577442 1138462917 /nfs/dbraw/zinc/46/29/17/1138462917.db2.gz GYVUZOIJGYKWJG-WMLDXEAASA-N 2 1 329.419 3.585 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000338128204 1138759602 /nfs/dbraw/zinc/75/96/02/1138759602.db2.gz AXBLPEZZDINGKX-UHFFFAOYSA-N 2 1 348.922 3.962 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000338128204 1138759608 /nfs/dbraw/zinc/75/96/08/1138759608.db2.gz AXBLPEZZDINGKX-UHFFFAOYSA-N 2 1 348.922 3.962 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152476338 1139093360 /nfs/dbraw/zinc/09/33/60/1139093360.db2.gz LTHHSLFCNZUQID-CVEARBPZSA-N 2 1 332.488 3.619 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178097601 1139670030 /nfs/dbraw/zinc/67/00/30/1139670030.db2.gz KFOYVBFJUPRBHR-DGGJZMOXSA-N 2 1 336.545 3.729 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116452 1139671825 /nfs/dbraw/zinc/67/18/25/1139671825.db2.gz VIRVZZMITLEQJK-VXKWHMMOSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116452 1139671828 /nfs/dbraw/zinc/67/18/28/1139671828.db2.gz VIRVZZMITLEQJK-VXKWHMMOSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116452 1139671834 /nfs/dbraw/zinc/67/18/34/1139671834.db2.gz VIRVZZMITLEQJK-VXKWHMMOSA-N 2 1 335.495 3.611 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1O ZINC000178409672 1139692526 /nfs/dbraw/zinc/69/25/26/1139692526.db2.gz ICHXLHIEEMRPKZ-MAUKXSAKSA-N 2 1 332.488 3.534 20 0 EHADMP CCOCc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000179831442 1139787113 /nfs/dbraw/zinc/78/71/13/1139787113.db2.gz JSAQVZHFXQAIJJ-FQEVSTJZSA-N 2 1 346.515 3.682 20 0 EHADMP CCOCc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000179831442 1139787116 /nfs/dbraw/zinc/78/71/16/1139787116.db2.gz JSAQVZHFXQAIJJ-FQEVSTJZSA-N 2 1 346.515 3.682 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181357212 1139901470 /nfs/dbraw/zinc/90/14/70/1139901470.db2.gz BSCCKRNRYWJAAQ-OBJOEFQTSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181357212 1139901474 /nfs/dbraw/zinc/90/14/74/1139901474.db2.gz BSCCKRNRYWJAAQ-OBJOEFQTSA-N 2 1 343.284 3.592 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000182159704 1139955080 /nfs/dbraw/zinc/95/50/80/1139955080.db2.gz CXGCWFDKNNMLBO-WMZOPIPTSA-N 2 1 331.504 3.664 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000182230508 1139959301 /nfs/dbraw/zinc/95/93/01/1139959301.db2.gz UQPSQHKFVVKNMW-DNVCBOLYSA-N 2 1 330.497 3.556 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185518 1140018293 /nfs/dbraw/zinc/01/82/93/1140018293.db2.gz QAPPRPANFXOMNH-LZLYRXPVSA-N 2 1 344.499 3.761 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183653487 1140051973 /nfs/dbraw/zinc/05/19/73/1140051973.db2.gz FYKAWZGJDBPXEH-HXUWFJFHSA-N 2 1 338.430 3.885 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000184581409 1140109618 /nfs/dbraw/zinc/10/96/18/1140109618.db2.gz ZORXLVBPGLUJAU-BHDDXSALSA-N 2 1 336.479 3.603 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CCS2 ZINC000191492786 1140466836 /nfs/dbraw/zinc/46/68/36/1140466836.db2.gz ACLYRADPOCCXBE-GOSISDBHSA-N 2 1 334.529 3.942 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccnn1C ZINC000192676059 1140544385 /nfs/dbraw/zinc/54/43/85/1140544385.db2.gz YEQZCYAAISYUTO-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193979180 1140592559 /nfs/dbraw/zinc/59/25/59/1140592559.db2.gz ZCNLPPAOPMIBOY-NJDAHSKKSA-N 2 1 340.511 3.507 20 0 EHADMP Cc1cc(N2CCC([NH2+]CC[C@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000194565344 1140614608 /nfs/dbraw/zinc/61/46/08/1140614608.db2.gz LAMGJVSKERDFRL-INIZCTEOSA-N 2 1 338.499 3.846 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268774531 1140988910 /nfs/dbraw/zinc/98/89/10/1140988910.db2.gz GISHMDZYDCBAHI-YUXAGFNASA-N 2 1 338.495 3.529 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000268844852 1141006754 /nfs/dbraw/zinc/00/67/54/1141006754.db2.gz ISSSFDWKPPDQJP-AWEZNQCLSA-N 2 1 337.414 3.794 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268888946 1141017265 /nfs/dbraw/zinc/01/72/65/1141017265.db2.gz ZLHMWOXBZHQSHP-KGVIQGDOSA-N 2 1 338.495 3.740 20 0 EHADMP Fc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(C(F)(F)F)c1 ZINC000269401646 1141103959 /nfs/dbraw/zinc/10/39/59/1141103959.db2.gz GGMFXPAKJAGEAV-UHFFFAOYSA-N 2 1 330.369 3.951 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000270695812 1141257766 /nfs/dbraw/zinc/25/77/66/1141257766.db2.gz WZAURUZOLFQVMD-UXHICEINSA-N 2 1 330.516 3.834 20 0 EHADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000349145313 1141645596 /nfs/dbraw/zinc/64/55/96/1141645596.db2.gz SDPHJOSWAVKNNY-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145313 1141645598 /nfs/dbraw/zinc/64/55/98/1141645598.db2.gz SDPHJOSWAVKNNY-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145313 1141645600 /nfs/dbraw/zinc/64/56/00/1141645600.db2.gz SDPHJOSWAVKNNY-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)s1 ZINC000038003336 213187395 /nfs/dbraw/zinc/18/73/95/213187395.db2.gz VKQAHECPCQJJTM-MNOVXSKESA-N 2 1 329.307 3.646 20 0 EHADMP c1nc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284367 1032061276 /nfs/dbraw/zinc/06/12/76/1032061276.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284367 1032061260 /nfs/dbraw/zinc/06/12/60/1032061260.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284367 1032061297 /nfs/dbraw/zinc/06/12/97/1032061297.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284367 1032061310 /nfs/dbraw/zinc/06/13/10/1032061310.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284367 1032061327 /nfs/dbraw/zinc/06/13/27/1032061327.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284367 1032061345 /nfs/dbraw/zinc/06/13/45/1032061345.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000584284367 1032061362 /nfs/dbraw/zinc/06/13/62/1032061362.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 2 1 346.478 3.517 20 0 EHADMP C([NH+]1CCC[C@@H]1C1CCC1)C1(C[N@H+]2CCC[C@@H]2C2CCC2)COC1 ZINC000182124923 1032066470 /nfs/dbraw/zinc/06/64/70/1032066470.db2.gz LFIXGLBXNRYXMN-WOJBJXKFSA-N 2 1 332.532 3.532 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459419473 1032068361 /nfs/dbraw/zinc/06/83/61/1032068361.db2.gz USGHTGNOYFDZFW-HZEGPAAWSA-N 2 1 330.516 3.517 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459419476 1032068674 /nfs/dbraw/zinc/06/86/74/1032068674.db2.gz USGHTGNOYFDZFW-ZIBCJSCZSA-N 2 1 330.516 3.517 20 0 EHADMP c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000537968257 1032069719 /nfs/dbraw/zinc/06/97/19/1032069719.db2.gz YAYXVAIISUTVMR-RTWAWAEBSA-N 2 1 342.527 3.947 20 0 EHADMP CC(C)c1cnc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474228 1032071514 /nfs/dbraw/zinc/07/15/14/1032071514.db2.gz KOTLQOMODGYAGE-KXBFYZLASA-N 2 1 343.496 3.612 20 0 EHADMP CC[N@@H+](Cc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1)C1CC1 ZINC000339391382 1014326138 /nfs/dbraw/zinc/32/61/38/1014326138.db2.gz BERBWJFTUUENQL-QGZVFWFLSA-N 2 1 328.460 3.767 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429087 1014412098 /nfs/dbraw/zinc/41/20/98/1014412098.db2.gz VQLRITJTRXRETA-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429087 1014412104 /nfs/dbraw/zinc/41/21/04/1014412104.db2.gz VQLRITJTRXRETA-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429087 1014412111 /nfs/dbraw/zinc/41/21/11/1014412111.db2.gz VQLRITJTRXRETA-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429087 1014412120 /nfs/dbraw/zinc/41/21/20/1014412120.db2.gz VQLRITJTRXRETA-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430149340 1014422432 /nfs/dbraw/zinc/42/24/32/1014422432.db2.gz NBFXEDOQOAZJCK-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430149340 1014422437 /nfs/dbraw/zinc/42/24/37/1014422437.db2.gz NBFXEDOQOAZJCK-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430149340 1014422441 /nfs/dbraw/zinc/42/24/41/1014422441.db2.gz NBFXEDOQOAZJCK-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430149340 1014422447 /nfs/dbraw/zinc/42/24/47/1014422447.db2.gz NBFXEDOQOAZJCK-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000399654852 1014510662 /nfs/dbraw/zinc/51/06/62/1014510662.db2.gz CVVWBFBALUWKKZ-NRFANRHFSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000399654852 1014510669 /nfs/dbraw/zinc/51/06/69/1014510669.db2.gz CVVWBFBALUWKKZ-NRFANRHFSA-N 2 1 337.511 3.823 20 0 EHADMP COc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000449058968 1032101811 /nfs/dbraw/zinc/10/18/11/1032101811.db2.gz NIROMRDRTGZMKO-SFHVURJKSA-N 2 1 338.495 3.880 20 0 EHADMP CCOC(=O)CCC[N@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208603326 1015053038 /nfs/dbraw/zinc/05/30/38/1015053038.db2.gz BEZHLMWMZPLNIZ-UHFFFAOYSA-N 2 1 346.515 3.564 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC001167077235 1015162874 /nfs/dbraw/zinc/16/28/74/1015162874.db2.gz LLGIFMGTGWNTRF-UHFFFAOYSA-N 2 1 326.525 3.552 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000375595796 1015175168 /nfs/dbraw/zinc/17/51/68/1015175168.db2.gz GDLCIBJDYAMKGP-LEQVUBRHSA-N 2 1 341.543 3.580 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274954671 1015676034 /nfs/dbraw/zinc/67/60/34/1015676034.db2.gz VSKVOJFHCXJCFF-TWOQFEAHSA-N 2 1 341.499 3.723 20 0 EHADMP Brc1c[nH+]ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000274963001 1015681548 /nfs/dbraw/zinc/68/15/48/1015681548.db2.gz WZMAWTCPUNEGNC-UHFFFAOYSA-N 2 1 347.260 3.568 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000339846357 1015740954 /nfs/dbraw/zinc/74/09/54/1015740954.db2.gz YJLOVXUREPPGJX-INIZCTEOSA-N 2 1 348.450 3.961 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000182768442 1032128245 /nfs/dbraw/zinc/12/82/45/1032128245.db2.gz RFRYZEUZLFZHQP-HNNXBMFYSA-N 2 1 334.508 3.842 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000471227213 1015825263 /nfs/dbraw/zinc/82/52/63/1015825263.db2.gz PEPOUZNQRVVWAM-RHSMWYFYSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000471227213 1015825269 /nfs/dbraw/zinc/82/52/69/1015825269.db2.gz PEPOUZNQRVVWAM-RHSMWYFYSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000471227213 1015825274 /nfs/dbraw/zinc/82/52/74/1015825274.db2.gz PEPOUZNQRVVWAM-RHSMWYFYSA-N 2 1 344.421 3.746 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000538100684 1032131301 /nfs/dbraw/zinc/13/13/01/1032131301.db2.gz JRZXHFJJFINMGZ-HXUWFJFHSA-N 2 1 349.950 3.654 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154892184 1015909941 /nfs/dbraw/zinc/90/99/41/1015909941.db2.gz XFJMDPYJZGGPIK-QGZVFWFLSA-N 2 1 339.483 3.510 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)CC[N@H+]1C ZINC000155053982 1016087546 /nfs/dbraw/zinc/08/75/46/1016087546.db2.gz FJKGVRHYOSSANQ-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)c1OC ZINC000106366572 1016470536 /nfs/dbraw/zinc/47/05/36/1016470536.db2.gz KRKIUMZJHOSXLO-UHFFFAOYSA-N 2 1 340.895 3.756 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000178078491 1016517324 /nfs/dbraw/zinc/51/73/24/1016517324.db2.gz AAEBSVMFULMGRK-MIJOPJBOSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000178078491 1016517337 /nfs/dbraw/zinc/51/73/37/1016517337.db2.gz AAEBSVMFULMGRK-MIJOPJBOSA-N 2 1 338.499 3.575 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1O ZINC000178012120 1016514009 /nfs/dbraw/zinc/51/40/09/1016514009.db2.gz JPAALVNMMRUJSG-APWZRJJASA-N 2 1 340.467 3.544 20 0 EHADMP C[N@H+](Cc1cccc(Br)c1)CC1CC2(C1)CC[NH2+]CC2 ZINC001209843981 1016581313 /nfs/dbraw/zinc/58/13/13/1016581313.db2.gz AAFJCXWMHKKEOT-UHFFFAOYSA-N 2 1 337.305 3.661 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340234643 1016750167 /nfs/dbraw/zinc/75/01/67/1016750167.db2.gz BJAWMQQFIPAUJQ-KXEVLKFVSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000167707411 1016782662 /nfs/dbraw/zinc/78/26/62/1016782662.db2.gz UFNAIGOGFRRKJK-QAPCUYQASA-N 2 1 347.503 3.648 20 0 EHADMP C[C@@H](CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831379 1016993447 /nfs/dbraw/zinc/99/34/47/1016993447.db2.gz VUSXUXWLNLOXFC-ONTIZHBOSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831379 1016993457 /nfs/dbraw/zinc/99/34/57/1016993457.db2.gz VUSXUXWLNLOXFC-ONTIZHBOSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831379 1016993465 /nfs/dbraw/zinc/99/34/65/1016993465.db2.gz VUSXUXWLNLOXFC-ONTIZHBOSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449072684 1032159788 /nfs/dbraw/zinc/15/97/88/1032159788.db2.gz GFZQRYKLZCAQCZ-QWHCGFSZSA-N 2 1 343.298 3.835 20 0 EHADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449108908 1032190836 /nfs/dbraw/zinc/19/08/36/1032190836.db2.gz TVTFHJOUOQDPGT-OKZBNKHCSA-N 2 1 342.483 3.610 20 0 EHADMP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183676965 1032193104 /nfs/dbraw/zinc/19/31/04/1032193104.db2.gz IWDKNVREPZDOLL-HOTGVXAUSA-N 2 1 342.487 3.526 20 0 EHADMP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637585 1032193806 /nfs/dbraw/zinc/19/38/06/1032193806.db2.gz SNPGOZXXELOJMX-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637585 1032193823 /nfs/dbraw/zinc/19/38/23/1032193823.db2.gz SNPGOZXXELOJMX-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637584 1032194342 /nfs/dbraw/zinc/19/43/42/1032194342.db2.gz SNPGOZXXELOJMX-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637584 1032194353 /nfs/dbraw/zinc/19/43/53/1032194353.db2.gz SNPGOZXXELOJMX-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637586 1032194469 /nfs/dbraw/zinc/19/44/69/1032194469.db2.gz SNPGOZXXELOJMX-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637586 1032194479 /nfs/dbraw/zinc/19/44/79/1032194479.db2.gz SNPGOZXXELOJMX-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000657842741 1032204606 /nfs/dbraw/zinc/20/46/06/1032204606.db2.gz WZVGRGGMKMNXNN-RDJZCZTQSA-N 2 1 339.321 3.702 20 0 EHADMP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n[nH]1 ZINC000449186047 1032303188 /nfs/dbraw/zinc/30/31/88/1032303188.db2.gz HAKDTVGLOFKFNX-OAHLLOKOSA-N 2 1 334.552 3.918 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000905123462 1032353140 /nfs/dbraw/zinc/35/31/40/1032353140.db2.gz YPMVJSLUGVSOQL-XMSQKQJNSA-N 2 1 338.495 3.844 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000185199610 1032360205 /nfs/dbraw/zinc/36/02/05/1032360205.db2.gz LBLNQNJGCAJDRY-NRFANRHFSA-N 2 1 339.483 3.722 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@H+](C)[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000459681295 1032409995 /nfs/dbraw/zinc/40/99/95/1032409995.db2.gz RHWNGJPAEWNZJP-ROUUACIJSA-N 2 1 329.513 3.973 20 0 EHADMP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000459681295 1032410005 /nfs/dbraw/zinc/41/00/05/1032410005.db2.gz RHWNGJPAEWNZJP-ROUUACIJSA-N 2 1 329.513 3.973 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)s1 ZINC000459724505 1032431012 /nfs/dbraw/zinc/43/10/12/1032431012.db2.gz YUWZHTXTGMISNG-SJLPKXTDSA-N 2 1 329.513 3.734 20 0 EHADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCC(C)C ZINC000459736711 1032433160 /nfs/dbraw/zinc/43/31/60/1032433160.db2.gz QRJNKGRCQZRBHI-KRWDZBQOSA-N 2 1 334.504 3.552 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000459738353 1032454237 /nfs/dbraw/zinc/45/42/37/1032454237.db2.gz RQQBVBPEGMIYJT-INIZCTEOSA-N 2 1 345.512 3.544 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459744968 1032459101 /nfs/dbraw/zinc/45/91/01/1032459101.db2.gz YILATUFKYKHPEP-MSOLQXFVSA-N 2 1 345.531 3.849 20 0 EHADMP CC[C@@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000449402894 1032526615 /nfs/dbraw/zinc/52/66/15/1032526615.db2.gz NRHNDXGXEJKTMZ-ZMWHVPEISA-N 2 1 330.516 3.833 20 0 EHADMP CSC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000423372372 1032542385 /nfs/dbraw/zinc/54/23/85/1032542385.db2.gz GCSSXSRUGHXGNB-DFBGVHRSSA-N 2 1 332.435 3.840 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000090524627 1032583469 /nfs/dbraw/zinc/58/34/69/1032583469.db2.gz MNVYQZUFJKXKNF-IPELMVKDSA-N 2 1 342.483 3.851 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000090525396 1032583768 /nfs/dbraw/zinc/58/37/68/1032583768.db2.gz KWTWPBAMFPKTGQ-QRVBRYPASA-N 2 1 346.515 3.651 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123241 1017103476 /nfs/dbraw/zinc/10/34/76/1017103476.db2.gz IJGWCANKZXAZJZ-ZBFHGGJFSA-N 2 1 328.422 3.958 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449475850 1032597234 /nfs/dbraw/zinc/59/72/34/1032597234.db2.gz FVDISFSFKZVOHI-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000449475850 1032597245 /nfs/dbraw/zinc/59/72/45/1032597245.db2.gz FVDISFSFKZVOHI-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000537324392 1032632207 /nfs/dbraw/zinc/63/22/07/1032632207.db2.gz ZMHKBQBRTLHRQM-VQIMIIECSA-N 2 1 334.552 3.535 20 0 EHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414656016 1017119866 /nfs/dbraw/zinc/11/98/66/1017119866.db2.gz FBCVGQSUNHKHOI-HZPDHXFCSA-N 2 1 340.467 3.540 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727010 1032689830 /nfs/dbraw/zinc/68/98/30/1032689830.db2.gz DEALVMPUAMTBFC-OAQYLSRUSA-N 2 1 339.483 3.832 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727010 1032689837 /nfs/dbraw/zinc/68/98/37/1032689837.db2.gz DEALVMPUAMTBFC-OAQYLSRUSA-N 2 1 339.483 3.832 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655690502 1017391837 /nfs/dbraw/zinc/39/18/37/1017391837.db2.gz BPMGYMHKTHCMAB-PXNSSMCTSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655690502 1017391844 /nfs/dbraw/zinc/39/18/44/1017391844.db2.gz BPMGYMHKTHCMAB-PXNSSMCTSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655691097 1017398704 /nfs/dbraw/zinc/39/87/04/1017398704.db2.gz PFEJLCPOOWDIAQ-PXNSSMCTSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655691097 1017398713 /nfs/dbraw/zinc/39/87/13/1017398713.db2.gz PFEJLCPOOWDIAQ-PXNSSMCTSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCCn3ccnc32)cc1 ZINC000655690161 1017406021 /nfs/dbraw/zinc/40/60/21/1017406021.db2.gz XSQWDZOYTJNRPD-XLIONFOSSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655690161 1017406026 /nfs/dbraw/zinc/40/60/26/1017406026.db2.gz XSQWDZOYTJNRPD-XLIONFOSSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655690161 1017406036 /nfs/dbraw/zinc/40/60/36/1017406036.db2.gz XSQWDZOYTJNRPD-XLIONFOSSA-N 2 1 338.499 3.882 20 0 EHADMP CCOc1ccccc1[C@@H](CC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655704353 1017419186 /nfs/dbraw/zinc/41/91/86/1017419186.db2.gz BHDPTIKUXGFBNC-UYAOXDASSA-N 2 1 346.515 3.769 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)o1 ZINC000415035701 1017427675 /nfs/dbraw/zinc/42/76/75/1017427675.db2.gz FDZCCSQUCSLNFE-GOEBONIOSA-N 2 1 331.485 3.676 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)o1 ZINC000415035701 1017427687 /nfs/dbraw/zinc/42/76/87/1017427687.db2.gz FDZCCSQUCSLNFE-GOEBONIOSA-N 2 1 331.485 3.676 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000655715461 1017444415 /nfs/dbraw/zinc/44/44/15/1017444415.db2.gz KMXTYMXHOPXBNT-SFTDATJTSA-N 2 1 344.543 3.976 20 0 EHADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1Oc1cccnc1 ZINC000415049544 1017459640 /nfs/dbraw/zinc/45/96/40/1017459640.db2.gz BAAOMPBPOKOZAH-OXQOHEQNSA-N 2 1 325.456 3.599 20 0 EHADMP CC(C)C[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415051196 1017459744 /nfs/dbraw/zinc/45/97/44/1017459744.db2.gz JDLAAABFSSPRMH-ITAUSPCMSA-N 2 1 343.559 3.622 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053186 1017462022 /nfs/dbraw/zinc/46/20/22/1017462022.db2.gz OMBHYEJTLBUGKD-FUHWJXTLSA-N 2 1 327.497 3.774 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054173 1017475038 /nfs/dbraw/zinc/47/50/38/1017475038.db2.gz PMAPXTLCZYIKDL-DOTOQJQBSA-N 2 1 342.405 3.592 20 0 EHADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655735299 1017501168 /nfs/dbraw/zinc/50/11/68/1017501168.db2.gz GMEIIVKKGXKZAW-MJGOQNOKSA-N 2 1 342.527 3.685 20 0 EHADMP C[N@@H+]1CC=C(CNCc2oc3ccccc3c2Br)CC1 ZINC000655755440 1017546867 /nfs/dbraw/zinc/54/68/67/1017546867.db2.gz BCLYEEXSADDKDR-UHFFFAOYSA-N 2 1 335.245 3.547 20 0 EHADMP C[N@H+]1CC=C(C[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655755440 1017546877 /nfs/dbraw/zinc/54/68/77/1017546877.db2.gz BCLYEEXSADDKDR-UHFFFAOYSA-N 2 1 335.245 3.547 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655755440 1017546883 /nfs/dbraw/zinc/54/68/83/1017546883.db2.gz BCLYEEXSADDKDR-UHFFFAOYSA-N 2 1 335.245 3.547 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 ZINC000655787487 1017595206 /nfs/dbraw/zinc/59/52/06/1017595206.db2.gz WWPRRMZIFVPGKO-FCHUYYIVSA-N 2 1 342.527 3.631 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000655852889 1017787170 /nfs/dbraw/zinc/78/71/70/1017787170.db2.gz QBJRUDFCCDPSHN-NRFANRHFSA-N 2 1 342.527 3.775 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000655940509 1017968430 /nfs/dbraw/zinc/96/84/30/1017968430.db2.gz SVVWBANYJMDORJ-DSKINZAPSA-N 2 1 346.515 3.537 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000275708297 1018207117 /nfs/dbraw/zinc/20/71/17/1018207117.db2.gz RHLQIRGLPVFXLI-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000275708297 1018207127 /nfs/dbraw/zinc/20/71/27/1018207127.db2.gz RHLQIRGLPVFXLI-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708297 1018207140 /nfs/dbraw/zinc/20/71/40/1018207140.db2.gz RHLQIRGLPVFXLI-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708297 1018207152 /nfs/dbraw/zinc/20/71/52/1018207152.db2.gz RHLQIRGLPVFXLI-GHTZIAJQSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H](CC1CCCCC1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377713882 1018251982 /nfs/dbraw/zinc/25/19/82/1018251982.db2.gz BVPRLQCCEZUITF-WTBLGDFPSA-N 2 1 347.591 3.836 20 0 EHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000653298886 1018454682 /nfs/dbraw/zinc/45/46/82/1018454682.db2.gz PMPUAYNFCWYXBC-KXBFYZLASA-N 2 1 328.431 3.716 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839844 1018458090 /nfs/dbraw/zinc/45/80/90/1018458090.db2.gz MYMQPCUYARMTGD-IUODEOHRSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839844 1018458100 /nfs/dbraw/zinc/45/81/00/1018458100.db2.gz MYMQPCUYARMTGD-IUODEOHRSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839844 1018458108 /nfs/dbraw/zinc/45/81/08/1018458108.db2.gz MYMQPCUYARMTGD-IUODEOHRSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839844 1018458112 /nfs/dbraw/zinc/45/81/12/1018458112.db2.gz MYMQPCUYARMTGD-IUODEOHRSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839844 1018458118 /nfs/dbraw/zinc/45/81/18/1018458118.db2.gz MYMQPCUYARMTGD-IUODEOHRSA-N 2 1 330.444 3.652 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000052209927 1018869737 /nfs/dbraw/zinc/86/97/37/1018869737.db2.gz XULHTFQUMPJDPE-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000052209927 1018869754 /nfs/dbraw/zinc/86/97/54/1018869754.db2.gz XULHTFQUMPJDPE-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000052209930 1018869814 /nfs/dbraw/zinc/86/98/14/1018869814.db2.gz HYEKHYJADDGDKR-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000052209930 1018869834 /nfs/dbraw/zinc/86/98/34/1018869834.db2.gz HYEKHYJADDGDKR-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000052209917 1018871323 /nfs/dbraw/zinc/87/13/23/1018871323.db2.gz FQOGEIFCCQFQDX-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000052209917 1018871337 /nfs/dbraw/zinc/87/13/37/1018871337.db2.gz FQOGEIFCCQFQDX-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000261755422 1018926673 /nfs/dbraw/zinc/92/66/73/1018926673.db2.gz CLRXNFVITCTYEQ-OAHLLOKOSA-N 2 1 345.284 3.897 20 0 EHADMP Cc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398014175 1018951536 /nfs/dbraw/zinc/95/15/36/1018951536.db2.gz FJVFTCNDHTVAQQ-XMSQKQJNSA-N 2 1 333.479 3.867 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000310368286 1019007311 /nfs/dbraw/zinc/00/73/11/1019007311.db2.gz MWKZJBYPFJQFQX-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000125546845 1019328239 /nfs/dbraw/zinc/32/82/39/1019328239.db2.gz CWLSXHZDOGHMMS-SFHVURJKSA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000125546845 1019328253 /nfs/dbraw/zinc/32/82/53/1019328253.db2.gz CWLSXHZDOGHMMS-SFHVURJKSA-N 2 1 342.458 3.788 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513232143 1019428901 /nfs/dbraw/zinc/42/89/01/1019428901.db2.gz GKMSANPDNKVSPZ-GIVPXCGWSA-N 2 1 332.532 3.816 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513232143 1019428907 /nfs/dbraw/zinc/42/89/07/1019428907.db2.gz GKMSANPDNKVSPZ-GIVPXCGWSA-N 2 1 332.532 3.816 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261869224 1019484462 /nfs/dbraw/zinc/48/44/62/1019484462.db2.gz QLKNPZPUZMRMQB-QGZVFWFLSA-N 2 1 343.515 3.779 20 0 EHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)co2)cc1 ZINC000047972556 1019746153 /nfs/dbraw/zinc/74/61/53/1019746153.db2.gz VZWMFZMSCUAQDM-UHFFFAOYSA-N 2 1 339.483 3.958 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398150774 1019818619 /nfs/dbraw/zinc/81/86/19/1019818619.db2.gz YUQZVBYILLPDDM-NRDMVMEKSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398150774 1019818636 /nfs/dbraw/zinc/81/86/36/1019818636.db2.gz YUQZVBYILLPDDM-NRDMVMEKSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[C@H](O)C1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000345718794 1020472127 /nfs/dbraw/zinc/47/21/27/1020472127.db2.gz ZSCMAKFRNXPFNN-IBGZPJMESA-N 2 1 332.532 3.531 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCCCC3)CC23CC3)cc1 ZINC000581190134 1020510287 /nfs/dbraw/zinc/51/02/87/1020510287.db2.gz JKBGYNGWWIPCLM-NRFANRHFSA-N 2 1 341.543 3.649 20 0 EHADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000430541541 1020567837 /nfs/dbraw/zinc/56/78/37/1020567837.db2.gz BJNZPSPRTBGWPB-MRXNPFEDSA-N 2 1 332.410 3.827 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542647 1020584757 /nfs/dbraw/zinc/58/47/57/1020584757.db2.gz CMLZVVXHYGRBKQ-TZMCWYRMSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542647 1020584762 /nfs/dbraw/zinc/58/47/62/1020584762.db2.gz CMLZVVXHYGRBKQ-TZMCWYRMSA-N 2 1 348.288 3.557 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000548159076 1020624937 /nfs/dbraw/zinc/62/49/37/1020624937.db2.gz OJOWWTWARHMECE-GOSISDBHSA-N 2 1 330.516 3.587 20 0 EHADMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000501075241 1020696060 /nfs/dbraw/zinc/69/60/60/1020696060.db2.gz BFAORRDXVMADCI-UHFFFAOYSA-N 2 1 331.548 3.561 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000341206384 1021097070 /nfs/dbraw/zinc/09/70/70/1021097070.db2.gz IMISCUXOSREPBA-MRXNPFEDSA-N 2 1 348.450 3.795 20 0 EHADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491120 1021145059 /nfs/dbraw/zinc/14/50/59/1021145059.db2.gz OGPFUXLSNYQHJB-BHYGNILZSA-N 2 1 337.305 3.850 20 0 EHADMP Cc1ccccc1-n1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000647168403 1021159451 /nfs/dbraw/zinc/15/94/51/1021159451.db2.gz UJLPSIYQDHGWEL-UHFFFAOYSA-N 2 1 326.488 3.580 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000439141482 1021175681 /nfs/dbraw/zinc/17/56/81/1021175681.db2.gz NCIWVOMHQBYZHL-AWEZNQCLSA-N 2 1 340.290 3.756 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000518475538 1021221350 /nfs/dbraw/zinc/22/13/50/1021221350.db2.gz OEDPUCLAJRNMHZ-LJQANCHMSA-N 2 1 338.495 3.802 20 0 EHADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507459426 1021276215 /nfs/dbraw/zinc/27/62/15/1021276215.db2.gz FYWIGCOPASSCSH-BHDDXSALSA-N 2 1 349.522 3.753 20 0 EHADMP Brc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785517 1021336318 /nfs/dbraw/zinc/33/63/18/1021336318.db2.gz LGESRJJCMAASAQ-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000647171195 1021357434 /nfs/dbraw/zinc/35/74/34/1021357434.db2.gz CDONVOVJWCNJPZ-MRXNPFEDSA-N 2 1 344.503 3.590 20 0 EHADMP COCC(C)(C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426401387 1021480408 /nfs/dbraw/zinc/48/04/08/1021480408.db2.gz PACMTMWRRPBREP-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP COCC(C)(C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426401387 1021480414 /nfs/dbraw/zinc/48/04/14/1021480414.db2.gz PACMTMWRRPBREP-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1O ZINC000426417784 1021529580 /nfs/dbraw/zinc/52/95/80/1021529580.db2.gz CLKPADXOEZLHKH-ROUUACIJSA-N 2 1 348.531 3.966 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000437104582 1021559530 /nfs/dbraw/zinc/55/95/30/1021559530.db2.gz PGNAALFBGUCPIK-CJNGLKHVSA-N 2 1 326.406 3.667 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCOCC1 ZINC000164528026 1021565264 /nfs/dbraw/zinc/56/52/64/1021565264.db2.gz MRQKQGOJZDHEFM-QGZVFWFLSA-N 2 1 342.483 3.816 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542707 1021665683 /nfs/dbraw/zinc/66/56/83/1021665683.db2.gz CYCWXDNKYMIYDF-ZIAGYGMSSA-N 2 1 330.394 3.534 20 0 EHADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261948411 1021774364 /nfs/dbraw/zinc/77/43/64/1021774364.db2.gz FPNZKUQVBUHJMS-UHFFFAOYSA-N 2 1 346.478 3.601 20 0 EHADMP FC(F)Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965489 1021787023 /nfs/dbraw/zinc/78/70/23/1021787023.db2.gz HNHRQUFEFDFBOC-ALOPSCKCSA-N 2 1 336.426 3.783 20 0 EHADMP FC(F)Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965489 1021787039 /nfs/dbraw/zinc/78/70/39/1021787039.db2.gz HNHRQUFEFDFBOC-ALOPSCKCSA-N 2 1 336.426 3.783 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276568464 1021832512 /nfs/dbraw/zinc/83/25/12/1021832512.db2.gz BCVGHISLINQFHL-UHFFFAOYSA-N 2 1 348.697 3.849 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999513 1021926513 /nfs/dbraw/zinc/92/65/13/1021926513.db2.gz QSFBGORQUOJXFL-HJNYFJLDSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999513 1021926522 /nfs/dbraw/zinc/92/65/22/1021926522.db2.gz QSFBGORQUOJXFL-HJNYFJLDSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999513 1021926527 /nfs/dbraw/zinc/92/65/27/1021926527.db2.gz QSFBGORQUOJXFL-HJNYFJLDSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999513 1021926538 /nfs/dbraw/zinc/92/65/38/1021926538.db2.gz QSFBGORQUOJXFL-HJNYFJLDSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999513 1021926548 /nfs/dbraw/zinc/92/65/48/1021926548.db2.gz QSFBGORQUOJXFL-HJNYFJLDSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999513 1021926554 /nfs/dbraw/zinc/92/65/54/1021926554.db2.gz QSFBGORQUOJXFL-HJNYFJLDSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999513 1021926561 /nfs/dbraw/zinc/92/65/61/1021926561.db2.gz QSFBGORQUOJXFL-HJNYFJLDSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000437572131 1021960203 /nfs/dbraw/zinc/96/02/03/1021960203.db2.gz WRKGHMJQIHBJMD-UHFFFAOYSA-N 2 1 344.421 3.934 20 0 EHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000441175949 1022036875 /nfs/dbraw/zinc/03/68/75/1022036875.db2.gz GKQLKXVEDWKYQK-UHFFFAOYSA-N 2 1 339.483 3.958 20 0 EHADMP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000517205831 1022133451 /nfs/dbraw/zinc/13/34/51/1022133451.db2.gz NWTQUEZSUZGURM-KRWDZBQOSA-N 2 1 340.433 3.872 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OCC ZINC000415053137 1022179780 /nfs/dbraw/zinc/17/97/80/1022179780.db2.gz ODUUHKRXRXSEGW-RBUKOAKNSA-N 2 1 346.515 3.838 20 0 EHADMP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000187498788 1022184838 /nfs/dbraw/zinc/18/48/38/1022184838.db2.gz WSRRTFQMKILHAF-UHFFFAOYSA-N 2 1 338.495 3.668 20 0 EHADMP C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574313680 1033035807 /nfs/dbraw/zinc/03/58/07/1033035807.db2.gz UEOIYKKQYFGWFE-HKUYNNGSSA-N 2 1 346.515 3.609 20 0 EHADMP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000388761892 1022206686 /nfs/dbraw/zinc/20/66/86/1022206686.db2.gz NTAVXNRDYXMYKY-AGOPTVSRSA-N 2 1 348.490 3.880 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCSC4)[C@H]3C2)cc1 ZINC000425922344 1022208845 /nfs/dbraw/zinc/20/88/45/1022208845.db2.gz JYAWQOGCMLLLEZ-MUGJNUQGSA-N 2 1 330.541 3.772 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCS2 ZINC000187718402 1022225251 /nfs/dbraw/zinc/22/52/51/1022225251.db2.gz BKNCVFRGAOMHKB-GOSISDBHSA-N 2 1 332.513 3.839 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000415126886 1022309192 /nfs/dbraw/zinc/30/91/92/1022309192.db2.gz HFRWPCYFSQHLLZ-UHFFFAOYSA-N 2 1 345.874 3.634 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000415126886 1022309202 /nfs/dbraw/zinc/30/92/02/1022309202.db2.gz HFRWPCYFSQHLLZ-UHFFFAOYSA-N 2 1 345.874 3.634 20 0 EHADMP CC1(C)CCC[NH2+][C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414921515 1022351435 /nfs/dbraw/zinc/35/14/35/1022351435.db2.gz BSPSAYDXCUWVEZ-OTYNDTSQSA-N 2 1 341.543 3.550 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3ccccc3F)CCCC2)CC1 ZINC000438185263 1022458422 /nfs/dbraw/zinc/45/84/22/1022458422.db2.gz CEMRLTIVCXOZSG-KRWDZBQOSA-N 2 1 348.506 3.770 20 0 EHADMP CCC(CC)[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167974363 1022509112 /nfs/dbraw/zinc/50/91/12/1022509112.db2.gz XTYWFSOVJIMHJS-VCSGRIEYSA-N 2 1 333.564 3.634 20 0 EHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000124513490 1022520202 /nfs/dbraw/zinc/52/02/02/1022520202.db2.gz TWEAUQWKZVCCCO-CQSZACIVSA-N 2 1 335.373 3.928 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000894568173 1022567805 /nfs/dbraw/zinc/56/78/05/1022567805.db2.gz ZYFYFBQPPNORPS-LJQANCHMSA-N 2 1 340.515 3.714 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000894568173 1022567813 /nfs/dbraw/zinc/56/78/13/1022567813.db2.gz ZYFYFBQPPNORPS-LJQANCHMSA-N 2 1 340.515 3.714 20 0 EHADMP Cc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167975392 1022612857 /nfs/dbraw/zinc/61/28/57/1022612857.db2.gz OGPQZOKAXXLXCQ-YQQQUEKLSA-N 2 1 327.516 3.663 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000544006542 1022637939 /nfs/dbraw/zinc/63/79/39/1022637939.db2.gz NOEAOSBXFIQIDG-KRWDZBQOSA-N 2 1 338.561 3.750 20 0 EHADMP c1ccc(OCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981987 1022788099 /nfs/dbraw/zinc/78/80/99/1022788099.db2.gz RTWDGFWUUIQTIE-IHWFROFDSA-N 2 1 328.500 3.841 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250158113 1022904718 /nfs/dbraw/zinc/90/47/18/1022904718.db2.gz FRWCQPTVBWFGQN-CYZMBNFOSA-N 2 1 329.307 3.521 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000430947663 1022934256 /nfs/dbraw/zinc/93/42/56/1022934256.db2.gz BVNMOOMRYOHAPN-UHFFFAOYSA-N 2 1 330.501 3.627 20 0 EHADMP C[C@@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430956676 1022957124 /nfs/dbraw/zinc/95/71/24/1022957124.db2.gz PNYVVYFEVCIYEX-UKRRQHHQSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414951683 1022992136 /nfs/dbraw/zinc/99/21/36/1022992136.db2.gz PYKQURLIZWULQG-TVQRCGJNSA-N 2 1 340.311 3.954 20 0 EHADMP COc1ccc(F)c(F)c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001143411987 1023199486 /nfs/dbraw/zinc/19/94/86/1023199486.db2.gz CBXWGCZRZBMBRC-UHFFFAOYSA-N 2 1 338.442 3.527 20 0 EHADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087644 1023241288 /nfs/dbraw/zinc/24/12/88/1023241288.db2.gz UVVACFLXVPDHNY-KRWDZBQOSA-N 2 1 344.503 3.887 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657876427 1033151255 /nfs/dbraw/zinc/15/12/55/1033151255.db2.gz LWDWIESMAULZTB-NVXWUHKLSA-N 2 1 339.321 3.702 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000093643982 1023985729 /nfs/dbraw/zinc/98/57/29/1023985729.db2.gz ALGCRXDWVMAWIL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Br ZINC000093643982 1023985732 /nfs/dbraw/zinc/98/57/32/1023985732.db2.gz ALGCRXDWVMAWIL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1Br ZINC000093643982 1023985735 /nfs/dbraw/zinc/98/57/35/1023985735.db2.gz ALGCRXDWVMAWIL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1Br ZINC000093643982 1023985742 /nfs/dbraw/zinc/98/57/42/1023985742.db2.gz ALGCRXDWVMAWIL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2c(c1)OCCCO2 ZINC000323901787 1024016102 /nfs/dbraw/zinc/01/61/02/1024016102.db2.gz PUHDTRIRKUITRC-QGZVFWFLSA-N 2 1 332.488 3.621 20 0 EHADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000507783969 1024235041 /nfs/dbraw/zinc/23/50/41/1024235041.db2.gz PGIXDBMZACXSRP-PWRODBHTSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000507783969 1024235056 /nfs/dbraw/zinc/23/50/56/1024235056.db2.gz PGIXDBMZACXSRP-PWRODBHTSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000507783969 1024235072 /nfs/dbraw/zinc/23/50/72/1024235072.db2.gz PGIXDBMZACXSRP-PWRODBHTSA-N 2 1 330.516 3.646 20 0 EHADMP Fc1cccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434678083 1024294873 /nfs/dbraw/zinc/29/48/73/1024294873.db2.gz BWIPBDLKBVUGEK-UHFFFAOYSA-N 2 1 343.446 3.617 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000277242916 1024302101 /nfs/dbraw/zinc/30/21/01/1024302101.db2.gz OPOVAJZMHWKKFV-HKUYNNGSSA-N 2 1 348.531 3.680 20 0 EHADMP COc1cncc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168024700 1024353823 /nfs/dbraw/zinc/35/38/23/1024353823.db2.gz HNQAEJBDCSFYCC-IRXDYDNUSA-N 2 1 339.483 3.621 20 0 EHADMP C[C@@H]1CC(NCc2ccccc2C[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024768 1024360172 /nfs/dbraw/zinc/36/01/72/1024360172.db2.gz IRYLADXBNPAGFH-QZTJIDSGSA-N 2 1 337.511 3.677 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2ccccc2C[NH3+])C[C@@H](C)N1Cc1ccccc1 ZINC001168024768 1024360187 /nfs/dbraw/zinc/36/01/87/1024360187.db2.gz IRYLADXBNPAGFH-QZTJIDSGSA-N 2 1 337.511 3.677 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC000052210080 1024506954 /nfs/dbraw/zinc/50/69/54/1024506954.db2.gz ZDXYLMDEIANIEV-UHFFFAOYSA-N 2 1 328.504 3.587 20 0 EHADMP CCn1nc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc21 ZINC000472055160 1024507194 /nfs/dbraw/zinc/50/71/94/1024507194.db2.gz NGVRBIFKTIIOIG-KRWDZBQOSA-N 2 1 328.504 3.514 20 0 EHADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000895113597 1024525564 /nfs/dbraw/zinc/52/55/64/1024525564.db2.gz BCIORKFBSQOUNX-IRLDBZIGSA-N 2 1 337.511 3.715 20 0 EHADMP CO[C@H]1C[C@H](C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000895540093 1024600806 /nfs/dbraw/zinc/60/08/06/1024600806.db2.gz RUPFDVPFMGAWTA-KCZVDYSFSA-N 2 1 344.543 3.939 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000346356945 1024651697 /nfs/dbraw/zinc/65/16/97/1024651697.db2.gz ZFGPNIXNFSDUFF-MRXNPFEDSA-N 2 1 334.261 3.791 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000346356945 1024651702 /nfs/dbraw/zinc/65/17/02/1024651702.db2.gz ZFGPNIXNFSDUFF-MRXNPFEDSA-N 2 1 334.261 3.791 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](CC(C)C)c3ccccc3)C2)CC1 ZINC000474275701 1024666404 /nfs/dbraw/zinc/66/64/04/1024666404.db2.gz PEGCVTUYEGKKAL-FGZHOGPDSA-N 2 1 343.559 3.528 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000895683810 1024732322 /nfs/dbraw/zinc/73/23/22/1024732322.db2.gz STWLPIVBNJLGNT-NRFANRHFSA-N 2 1 346.515 3.552 20 0 EHADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157130425 1024777457 /nfs/dbraw/zinc/77/74/57/1024777457.db2.gz VJFHRTDQJUQTQR-GOSISDBHSA-N 2 1 340.467 3.552 20 0 EHADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157130425 1024777470 /nfs/dbraw/zinc/77/74/70/1024777470.db2.gz VJFHRTDQJUQTQR-GOSISDBHSA-N 2 1 340.467 3.552 20 0 EHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000895739791 1024777824 /nfs/dbraw/zinc/77/78/24/1024777824.db2.gz JONARJKHQWBPIF-CABCVRRESA-N 2 1 329.326 3.500 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1cccs1 ZINC000435376428 1024841926 /nfs/dbraw/zinc/84/19/26/1024841926.db2.gz ZROHRALCOBIMOY-YOEHRIQHSA-N 2 1 346.496 3.505 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1cccs1 ZINC000435376428 1024841941 /nfs/dbraw/zinc/84/19/41/1024841941.db2.gz ZROHRALCOBIMOY-YOEHRIQHSA-N 2 1 346.496 3.505 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375033 1024842515 /nfs/dbraw/zinc/84/25/15/1024842515.db2.gz ZAOPUYIVLHZLDS-WBVHZDCISA-N 2 1 340.467 3.540 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376389 1024842870 /nfs/dbraw/zinc/84/28/70/1024842870.db2.gz ZKUDEPBLOUBWHZ-OLZOCXBDSA-N 2 1 327.453 3.725 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376389 1024842896 /nfs/dbraw/zinc/84/28/96/1024842896.db2.gz ZKUDEPBLOUBWHZ-OLZOCXBDSA-N 2 1 327.453 3.725 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435378855 1024860946 /nfs/dbraw/zinc/86/09/46/1024860946.db2.gz KFAOFOFPWXQOBQ-XJKSGUPXSA-N 2 1 346.906 3.702 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)C1 ZINC000435385609 1024867578 /nfs/dbraw/zinc/86/75/78/1024867578.db2.gz QOVQHSVSXZQJQD-KRWDZBQOSA-N 2 1 340.515 3.520 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)C1 ZINC000435385609 1024867594 /nfs/dbraw/zinc/86/75/94/1024867594.db2.gz QOVQHSVSXZQJQD-KRWDZBQOSA-N 2 1 340.515 3.520 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000281335469 1024910848 /nfs/dbraw/zinc/91/08/48/1024910848.db2.gz UFQWEJPUZKHMHN-UKRRQHHQSA-N 2 1 326.406 3.710 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000435429030 1024917886 /nfs/dbraw/zinc/91/78/86/1024917886.db2.gz UPMSIBZCFQTVGY-GOSISDBHSA-N 2 1 327.497 3.596 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435440126 1024928562 /nfs/dbraw/zinc/92/85/62/1024928562.db2.gz ZQDPESBJXLHHBJ-GOSISDBHSA-N 2 1 326.488 3.570 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435440126 1024928570 /nfs/dbraw/zinc/92/85/70/1024928570.db2.gz ZQDPESBJXLHHBJ-GOSISDBHSA-N 2 1 326.488 3.570 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036943 1025133172 /nfs/dbraw/zinc/13/31/72/1025133172.db2.gz WGBAHVSJWIXSGN-YHELAOLJSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036943 1025133177 /nfs/dbraw/zinc/13/31/77/1025133177.db2.gz WGBAHVSJWIXSGN-YHELAOLJSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036943 1025133182 /nfs/dbraw/zinc/13/31/82/1025133182.db2.gz WGBAHVSJWIXSGN-YHELAOLJSA-N 2 1 341.543 3.644 20 0 EHADMP CCc1cccc(F)c1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000474602312 1025208396 /nfs/dbraw/zinc/20/83/96/1025208396.db2.gz SQYYTSWBXKQNCP-UHFFFAOYSA-N 2 1 330.447 3.618 20 0 EHADMP CCc1cccc(F)c1CNCc1cccc(CN2CCOCC2)c1 ZINC000474626359 1025238015 /nfs/dbraw/zinc/23/80/15/1025238015.db2.gz KHKCYXPHSTUJLR-UHFFFAOYSA-N 2 1 342.458 3.510 20 0 EHADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657334568 1025263046 /nfs/dbraw/zinc/26/30/46/1025263046.db2.gz DKCNGQJYEFHZBE-SFHVURJKSA-N 2 1 344.524 3.896 20 0 EHADMP CC(C)=CCC[C@H](C)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000192623535 1025281845 /nfs/dbraw/zinc/28/18/45/1025281845.db2.gz VRSKUDALRMFIBQ-SFTDATJTSA-N 2 1 335.580 3.861 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000453326071 1025349189 /nfs/dbraw/zinc/34/91/89/1025349189.db2.gz XSFMNFSJSVMKOS-WLRLJWMZSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000453326071 1025349203 /nfs/dbraw/zinc/34/92/03/1025349203.db2.gz XSFMNFSJSVMKOS-WLRLJWMZSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CNCc2cc(F)ccc2OC(F)F)C1 ZINC000657348257 1025356513 /nfs/dbraw/zinc/35/65/13/1025356513.db2.gz PPMZFPDQCOZSAR-CYBMUJFWSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657348257 1025356529 /nfs/dbraw/zinc/35/65/29/1025356529.db2.gz PPMZFPDQCOZSAR-CYBMUJFWSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657348257 1025356546 /nfs/dbraw/zinc/35/65/46/1025356546.db2.gz PPMZFPDQCOZSAR-CYBMUJFWSA-N 2 1 330.394 3.637 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CO)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168041120 1025369135 /nfs/dbraw/zinc/36/91/35/1025369135.db2.gz QUPYOTJRWVTLCG-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CO)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041120 1025369150 /nfs/dbraw/zinc/36/91/50/1025369150.db2.gz QUPYOTJRWVTLCG-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041120 1025369164 /nfs/dbraw/zinc/36/91/64/1025369164.db2.gz QUPYOTJRWVTLCG-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041120 1025369173 /nfs/dbraw/zinc/36/91/73/1025369173.db2.gz QUPYOTJRWVTLCG-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041120 1025369190 /nfs/dbraw/zinc/36/91/90/1025369190.db2.gz QUPYOTJRWVTLCG-YHELAOLJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442710323 1025435947 /nfs/dbraw/zinc/43/59/47/1025435947.db2.gz PTJRSSIJZBKQLB-SJORKVTESA-N 2 1 325.500 3.737 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442779245 1025473846 /nfs/dbraw/zinc/47/38/46/1025473846.db2.gz LORYWUVHCXCCRQ-ZACQAIPSSA-N 2 1 337.467 3.669 20 0 EHADMP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766953 1025479793 /nfs/dbraw/zinc/47/97/93/1025479793.db2.gz XRQWNCAYKGWPGS-WCRBZPEASA-N 2 1 349.478 3.654 20 0 EHADMP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766953 1025479803 /nfs/dbraw/zinc/47/98/03/1025479803.db2.gz XRQWNCAYKGWPGS-WCRBZPEASA-N 2 1 349.478 3.654 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@H](C)[C@@](C)(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041810 1025503297 /nfs/dbraw/zinc/50/32/97/1025503297.db2.gz VTAYSUVXCACSCQ-JYLXEMOASA-N 2 1 344.543 3.911 20 0 EHADMP Clc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000530240086 1025527925 /nfs/dbraw/zinc/52/79/25/1025527925.db2.gz XMRHLUVDEZQBLK-OAHLLOKOSA-N 2 1 343.298 3.584 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](O)(CF)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042280 1025546937 /nfs/dbraw/zinc/54/69/37/1025546937.db2.gz YQKASXAPDCDAJB-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(CF)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042280 1025546952 /nfs/dbraw/zinc/54/69/52/1025546952.db2.gz YQKASXAPDCDAJB-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(CF)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042280 1025546961 /nfs/dbraw/zinc/54/69/61/1025546961.db2.gz YQKASXAPDCDAJB-YHELAOLJSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629360 1025619456 /nfs/dbraw/zinc/61/94/56/1025619456.db2.gz DZVUXZPSHJKSSX-GHTZIAJQSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000121629360 1025619474 /nfs/dbraw/zinc/61/94/74/1025619474.db2.gz DZVUXZPSHJKSSX-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000121629360 1025619485 /nfs/dbraw/zinc/61/94/85/1025619485.db2.gz DZVUXZPSHJKSSX-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629360 1025619496 /nfs/dbraw/zinc/61/94/96/1025619496.db2.gz DZVUXZPSHJKSSX-GHTZIAJQSA-N 2 1 329.532 3.635 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000892235303 1025700901 /nfs/dbraw/zinc/70/09/01/1025700901.db2.gz VLVYFOFYAJFNAG-FGTMMUONSA-N 2 1 334.504 3.569 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000892235303 1025700918 /nfs/dbraw/zinc/70/09/18/1025700918.db2.gz VLVYFOFYAJFNAG-FGTMMUONSA-N 2 1 334.504 3.569 20 0 EHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414884229 1025709913 /nfs/dbraw/zinc/70/99/13/1025709913.db2.gz UVCKPXIQBUAHED-AWEZNQCLSA-N 2 1 337.920 3.887 20 0 EHADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104486 1025714992 /nfs/dbraw/zinc/71/49/92/1025714992.db2.gz DPXLDDOVVYDOBA-WOJBJXKFSA-N 2 1 344.524 3.816 20 0 EHADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104486 1025715005 /nfs/dbraw/zinc/71/50/05/1025715005.db2.gz DPXLDDOVVYDOBA-WOJBJXKFSA-N 2 1 344.524 3.816 20 0 EHADMP CC(C)n1nccc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880714 1025733357 /nfs/dbraw/zinc/73/33/57/1025733357.db2.gz TYFKMPDJPGZAQT-ICSRJNTNSA-N 2 1 340.515 3.854 20 0 EHADMP C[C@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443222376 1025825613 /nfs/dbraw/zinc/82/56/13/1025825613.db2.gz MUNMGNMUPIPPRJ-HZSPNIEDSA-N 2 1 346.450 3.871 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc3cccnc32)[C@H](c2ccccc2)C1 ZINC000647248570 1025911368 /nfs/dbraw/zinc/91/13/68/1025911368.db2.gz JQNWNNQXZWWCKZ-RTWAWAEBSA-N 2 1 331.463 3.670 20 0 EHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120849 1026221206 /nfs/dbraw/zinc/22/12/06/1026221206.db2.gz DYBAPDLLPRBABD-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120849 1026221217 /nfs/dbraw/zinc/22/12/17/1026221217.db2.gz DYBAPDLLPRBABD-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120849 1026221229 /nfs/dbraw/zinc/22/12/29/1026221229.db2.gz DYBAPDLLPRBABD-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120849 1026221242 /nfs/dbraw/zinc/22/12/42/1026221242.db2.gz DYBAPDLLPRBABD-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120849 1026221255 /nfs/dbraw/zinc/22/12/55/1026221255.db2.gz DYBAPDLLPRBABD-INIZCTEOSA-N 2 1 344.421 3.934 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058085 1026318839 /nfs/dbraw/zinc/31/88/39/1026318839.db2.gz AVMPKTMNMCOAFL-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058085 1026318853 /nfs/dbraw/zinc/31/88/53/1026318853.db2.gz AVMPKTMNMCOAFL-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058085 1026318864 /nfs/dbraw/zinc/31/88/64/1026318864.db2.gz AVMPKTMNMCOAFL-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP Cc1[nH+]ccn1CCCCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451908216 1026373812 /nfs/dbraw/zinc/37/38/12/1026373812.db2.gz XUCRETOKWHLIDJ-UHFFFAOYSA-N 2 1 334.552 3.804 20 0 EHADMP CC[N@@H+](CCn1cccn1)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168059792 1026401482 /nfs/dbraw/zinc/40/14/82/1026401482.db2.gz HFNUIMFKWLORHL-RTBURBONSA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@@H+](CCn1cccn1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168059792 1026401496 /nfs/dbraw/zinc/40/14/96/1026401496.db2.gz HFNUIMFKWLORHL-RTBURBONSA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000532731983 1026407107 /nfs/dbraw/zinc/40/71/07/1026407107.db2.gz KMHVFCPJMBLQKH-BBRMVZONSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000532731983 1026407118 /nfs/dbraw/zinc/40/71/18/1026407118.db2.gz KMHVFCPJMBLQKH-BBRMVZONSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000532731983 1026407124 /nfs/dbraw/zinc/40/71/24/1026407124.db2.gz KMHVFCPJMBLQKH-BBRMVZONSA-N 2 1 330.394 3.747 20 0 EHADMP Fc1ccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000475265349 1026418628 /nfs/dbraw/zinc/41/86/28/1026418628.db2.gz IKVVNWYSMGUPMZ-KRWDZBQOSA-N 2 1 337.442 3.919 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000159159657 1026503543 /nfs/dbraw/zinc/50/35/43/1026503543.db2.gz KCGRSRGLXYKKTB-IBGZPJMESA-N 2 1 344.499 3.523 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCOC3)C[C@H](C)N1Cc1ccccc1 ZINC001168062215 1026515459 /nfs/dbraw/zinc/51/54/59/1026515459.db2.gz JOZUOWRLVWUCAE-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]23CCOC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062215 1026515465 /nfs/dbraw/zinc/51/54/65/1026515465.db2.gz JOZUOWRLVWUCAE-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]23CCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062215 1026515468 /nfs/dbraw/zinc/51/54/68/1026515468.db2.gz JOZUOWRLVWUCAE-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062215 1026515471 /nfs/dbraw/zinc/51/54/71/1026515471.db2.gz JOZUOWRLVWUCAE-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062215 1026515480 /nfs/dbraw/zinc/51/54/80/1026515480.db2.gz JOZUOWRLVWUCAE-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000159298104 1026604435 /nfs/dbraw/zinc/60/44/35/1026604435.db2.gz OARHHTKAVLZAES-ZDUSSCGKSA-N 2 1 330.501 3.648 20 0 EHADMP c1cn2c(n1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CCC2 ZINC000655713178 1026606322 /nfs/dbraw/zinc/60/63/22/1026606322.db2.gz XZGXHAPQQKWHBX-FQEVSTJZSA-N 2 1 338.499 3.884 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CCO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065484 1026646432 /nfs/dbraw/zinc/64/64/32/1026646432.db2.gz WTSUGVYPEANJFA-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CCO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065484 1026646441 /nfs/dbraw/zinc/64/64/41/1026646441.db2.gz WTSUGVYPEANJFA-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CCO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065484 1026646448 /nfs/dbraw/zinc/64/64/48/1026646448.db2.gz WTSUGVYPEANJFA-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CCO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065484 1026646452 /nfs/dbraw/zinc/64/64/52/1026646452.db2.gz WTSUGVYPEANJFA-KOUHRCEDSA-N 2 1 330.516 3.522 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000342693709 1026736542 /nfs/dbraw/zinc/73/65/42/1026736542.db2.gz BMXQKZNFVKKHNW-CQSZACIVSA-N 2 1 327.900 3.903 20 0 EHADMP CC[N@@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301558211 1026852430 /nfs/dbraw/zinc/85/24/30/1026852430.db2.gz XEKWVVRLDOZCRJ-UHFFFAOYSA-N 2 1 334.261 3.529 20 0 EHADMP CC[N@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301558211 1026852436 /nfs/dbraw/zinc/85/24/36/1026852436.db2.gz XEKWVVRLDOZCRJ-UHFFFAOYSA-N 2 1 334.261 3.529 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000305616390 1026861805 /nfs/dbraw/zinc/86/18/05/1026861805.db2.gz DFGIFCFAKQZLIE-RBUKOAKNSA-N 2 1 345.487 3.933 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000305616390 1026861809 /nfs/dbraw/zinc/86/18/09/1026861809.db2.gz DFGIFCFAKQZLIE-RBUKOAKNSA-N 2 1 345.487 3.933 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000684966369 1026873415 /nfs/dbraw/zinc/87/34/15/1026873415.db2.gz DUDHMHHNBFMYDU-QGZVFWFLSA-N 2 1 334.504 3.790 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000684966369 1026873424 /nfs/dbraw/zinc/87/34/24/1026873424.db2.gz DUDHMHHNBFMYDU-QGZVFWFLSA-N 2 1 334.504 3.790 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193507039 1026892918 /nfs/dbraw/zinc/89/29/18/1026892918.db2.gz FIMKYVAITIKSEE-VGSWGCGISA-N 2 1 336.479 3.859 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193507039 1026892928 /nfs/dbraw/zinc/89/29/28/1026892928.db2.gz FIMKYVAITIKSEE-VGSWGCGISA-N 2 1 336.479 3.859 20 0 EHADMP CCOC1CC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000342790624 1027061070 /nfs/dbraw/zinc/06/10/70/1027061070.db2.gz BBQKDGXTWMBZJM-UHFFFAOYSA-N 2 1 328.456 3.569 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141231 1027166319 /nfs/dbraw/zinc/16/63/19/1027166319.db2.gz IGWJJYCTLSCMRL-NRSPTQNISA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141231 1027166336 /nfs/dbraw/zinc/16/63/36/1027166336.db2.gz IGWJJYCTLSCMRL-NRSPTQNISA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141231 1027166350 /nfs/dbraw/zinc/16/63/50/1027166350.db2.gz IGWJJYCTLSCMRL-NRSPTQNISA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncn1 ZINC000453061672 1027313466 /nfs/dbraw/zinc/31/34/66/1027313466.db2.gz LHMPGGUKTJERSR-KZNAEPCWSA-N 2 1 338.499 3.805 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)[C@H]3CCC[C@H]32)cc1 ZINC000453082855 1027341904 /nfs/dbraw/zinc/34/19/04/1027341904.db2.gz RJPWVBLPPXOCOZ-JSXRDJHFSA-N 2 1 328.500 3.588 20 0 EHADMP CCc1ccc(-c2noc([C@@H](C)[NH2+]CCCn3cc[nH+]c3C)n2)cc1 ZINC000273326117 1027376931 /nfs/dbraw/zinc/37/69/31/1027376931.db2.gz QYCQINFPQLGBGN-CQSZACIVSA-N 2 1 339.443 3.545 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115219 1027387151 /nfs/dbraw/zinc/38/71/51/1027387151.db2.gz WRIJBXVCQVTCNK-ZWKOTPCHSA-N 2 1 340.515 3.858 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115219 1027387169 /nfs/dbraw/zinc/38/71/69/1027387169.db2.gz WRIJBXVCQVTCNK-ZWKOTPCHSA-N 2 1 340.515 3.858 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000897473426 1027418498 /nfs/dbraw/zinc/41/84/98/1027418498.db2.gz YUKQUPLQBHXVLI-COXVUDFISA-N 2 1 337.305 3.769 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420268911 1027426055 /nfs/dbraw/zinc/42/60/55/1027426055.db2.gz HFEIGVHYPIJZGG-OAHLLOKOSA-N 2 1 344.890 3.537 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420268911 1027426069 /nfs/dbraw/zinc/42/60/69/1027426069.db2.gz HFEIGVHYPIJZGG-OAHLLOKOSA-N 2 1 344.890 3.537 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000420310059 1027456785 /nfs/dbraw/zinc/45/67/85/1027456785.db2.gz LYTGTMPDPAZMJX-LJQANCHMSA-N 2 1 341.524 3.904 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cc(Cl)ccc2OC)cc1 ZINC000420317112 1027463368 /nfs/dbraw/zinc/46/33/68/1027463368.db2.gz NEQITMRLUBJVAF-MRXNPFEDSA-N 2 1 348.874 3.532 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cc(Cl)ccc2OC)cc1 ZINC000420317112 1027463381 /nfs/dbraw/zinc/46/33/81/1027463381.db2.gz NEQITMRLUBJVAF-MRXNPFEDSA-N 2 1 348.874 3.532 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)cc1 ZINC000420318741 1027467106 /nfs/dbraw/zinc/46/71/06/1027467106.db2.gz OPCZBJRNHOBCLC-XJKSGUPXSA-N 2 1 333.501 3.504 20 0 EHADMP Clc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325138 1027479593 /nfs/dbraw/zinc/47/95/93/1027479593.db2.gz IGMPXLSFCHUUAS-HZPDHXFCSA-N 2 1 345.874 3.817 20 0 EHADMP [NH3+]C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000420380176 1027500214 /nfs/dbraw/zinc/50/02/14/1027500214.db2.gz YDSIENVOPDMXBM-OAHLLOKOSA-N 2 1 330.394 3.581 20 0 EHADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420383302 1027504182 /nfs/dbraw/zinc/50/41/82/1027504182.db2.gz ZENUXMHDYLYIJM-KRWDZBQOSA-N 2 1 336.907 3.821 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000501785508 1027533196 /nfs/dbraw/zinc/53/31/96/1027533196.db2.gz LKGONQKHMVROEL-IBGZPJMESA-N 2 1 332.532 3.861 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261795133 1027674088 /nfs/dbraw/zinc/67/40/88/1027674088.db2.gz ZHRYEBWHQRBBQP-PCCBWWKXSA-N 2 1 329.532 3.539 20 0 EHADMP CC[N@H+](Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CC1 ZINC000131007502 1027725708 /nfs/dbraw/zinc/72/57/08/1027725708.db2.gz ZWOZKGOEBXXFFW-UHFFFAOYSA-N 2 1 340.471 3.707 20 0 EHADMP CC[N@@H+](Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CC1 ZINC000131007502 1027725728 /nfs/dbraw/zinc/72/57/28/1027725728.db2.gz ZWOZKGOEBXXFFW-UHFFFAOYSA-N 2 1 340.471 3.707 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422710010 1027867322 /nfs/dbraw/zinc/86/73/22/1027867322.db2.gz LKIWPFLLLMQFPC-NQIIRXRSSA-N 2 1 329.532 3.540 20 0 EHADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000339065383 1027891822 /nfs/dbraw/zinc/89/18/22/1027891822.db2.gz ATRMDPRUWSOCHW-MSOLQXFVSA-N 2 1 329.488 3.510 20 0 EHADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000339065383 1027891845 /nfs/dbraw/zinc/89/18/45/1027891845.db2.gz ATRMDPRUWSOCHW-MSOLQXFVSA-N 2 1 329.488 3.510 20 0 EHADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCCCC2)n1 ZINC000339065383 1027891864 /nfs/dbraw/zinc/89/18/64/1027891864.db2.gz ATRMDPRUWSOCHW-MSOLQXFVSA-N 2 1 329.488 3.510 20 0 EHADMP C[C@H](NC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000422760331 1027899318 /nfs/dbraw/zinc/89/93/18/1027899318.db2.gz KWNNWCVRRZQWFZ-BJLQDIEVSA-N 2 1 329.532 3.628 20 0 EHADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2ccccc2Cl)n1 ZINC000132212421 1027899284 /nfs/dbraw/zinc/89/92/84/1027899284.db2.gz SFMDLXVSFNYETF-UHFFFAOYSA-N 2 1 346.906 3.514 20 0 EHADMP CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915425 1027902198 /nfs/dbraw/zinc/90/21/98/1027902198.db2.gz LPUOIEJWECCRDD-UXHICEINSA-N 2 1 348.556 3.625 20 0 EHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915425 1027902209 /nfs/dbraw/zinc/90/22/09/1027902209.db2.gz LPUOIEJWECCRDD-UXHICEINSA-N 2 1 348.556 3.625 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422766547 1027923702 /nfs/dbraw/zinc/92/37/02/1027923702.db2.gz RUWLIGNTEGHRAI-CYBMUJFWSA-N 2 1 338.480 3.823 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cccc(C)c3)CC2)CC1 ZINC000420982548 1027942223 /nfs/dbraw/zinc/94/22/23/1027942223.db2.gz PIDAOSLGYVHHEW-LJQANCHMSA-N 2 1 329.532 3.548 20 0 EHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ccccc21 ZINC000422804716 1027954940 /nfs/dbraw/zinc/95/49/40/1027954940.db2.gz KYXUQCQFMQKFGF-IRXDYDNUSA-N 2 1 336.357 3.862 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422804360 1027957914 /nfs/dbraw/zinc/95/79/14/1027957914.db2.gz HMYPEMPSIJZWCI-KNBMTAEXSA-N 2 1 325.456 3.621 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnccc1N ZINC000422852756 1027991290 /nfs/dbraw/zinc/99/12/90/1027991290.db2.gz BGAZLVDGNKPRDQ-IAGOWNOFSA-N 2 1 338.499 3.577 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422876075 1028007814 /nfs/dbraw/zinc/00/78/14/1028007814.db2.gz FYOLFNCULIFIMT-LVCYWYKZSA-N 3 1 329.532 3.539 20 0 EHADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccsc1 ZINC000421019583 1028010055 /nfs/dbraw/zinc/01/00/55/1028010055.db2.gz YHYJXCJNRKQWOR-GOSISDBHSA-N 2 1 337.577 3.936 20 0 EHADMP COc1ccc([C@@H]2CCCCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000582853426 1028012069 /nfs/dbraw/zinc/01/20/69/1028012069.db2.gz DDIHUXZPKKOTQO-FQEVSTJZSA-N 2 1 327.472 3.979 20 0 EHADMP COc1ccc([C@@H]2CCCCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000582853426 1028012089 /nfs/dbraw/zinc/01/20/89/1028012089.db2.gz DDIHUXZPKKOTQO-FQEVSTJZSA-N 2 1 327.472 3.979 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)c1cccc(Br)c1)c1c[nH+]ccc1N ZINC000422883077 1028017429 /nfs/dbraw/zinc/01/74/29/1028017429.db2.gz ULNALMQBTVUASJ-LBPRGKRZSA-N 2 1 348.288 3.885 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422886603 1028022550 /nfs/dbraw/zinc/02/25/50/1028022550.db2.gz XELPYGCOCGYTLW-VIYGXFRKSA-N 3 1 335.580 3.645 20 0 EHADMP CC(C)c1csc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422892014 1028025596 /nfs/dbraw/zinc/02/55/96/1028025596.db2.gz LUZCRCHZOVYDPL-BEFAXECRSA-N 2 1 343.496 3.612 20 0 EHADMP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nc2c1 ZINC000422898399 1028035475 /nfs/dbraw/zinc/03/54/75/1028035475.db2.gz FARYYNSHEBTLCU-BFHYXJOUSA-N 2 1 335.904 3.960 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[NH2+]2)cc1 ZINC000422920963 1028075642 /nfs/dbraw/zinc/07/56/42/1028075642.db2.gz ODLVMVHVLXMLMV-UXHICEINSA-N 2 1 328.500 3.809 20 0 EHADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422959749 1028098672 /nfs/dbraw/zinc/09/86/72/1028098672.db2.gz UGSKPUMQFGWFIA-JKSUJKDBSA-N 2 1 336.357 3.819 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422997525 1028113472 /nfs/dbraw/zinc/11/34/72/1028113472.db2.gz ODQLPCVBHOBYSC-PWRODBHTSA-N 2 1 329.532 3.580 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423014924 1028126551 /nfs/dbraw/zinc/12/65/51/1028126551.db2.gz JLUIRAKCPUNICT-XRULBBBTSA-N 2 1 342.527 3.588 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000120810617 1028154976 /nfs/dbraw/zinc/15/49/76/1028154976.db2.gz NCTAETFJAQJWKU-INIZCTEOSA-N 2 1 346.906 3.574 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000120810617 1028154986 /nfs/dbraw/zinc/15/49/86/1028154986.db2.gz NCTAETFJAQJWKU-INIZCTEOSA-N 2 1 346.906 3.574 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423067605 1028159385 /nfs/dbraw/zinc/15/93/85/1028159385.db2.gz ZYPZKALCNKSMHX-HRCADAONSA-N 2 1 346.906 3.627 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000246296460 1028173455 /nfs/dbraw/zinc/17/34/55/1028173455.db2.gz PIDKJXDTSCBIJG-FUHIMQAGSA-N 2 1 327.472 3.822 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000246296460 1028173465 /nfs/dbraw/zinc/17/34/65/1028173465.db2.gz PIDKJXDTSCBIJG-FUHIMQAGSA-N 2 1 327.472 3.822 20 0 EHADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098210 1028180005 /nfs/dbraw/zinc/18/00/05/1028180005.db2.gz COSSIZFZFIANKW-PXWCZTGZSA-N 3 1 349.950 3.971 20 0 EHADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423119808 1028191593 /nfs/dbraw/zinc/19/15/93/1028191593.db2.gz FLBVDRKXDBQAHK-GBESFXJTSA-N 2 1 345.531 3.907 20 0 EHADMP C[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414717988 1028193404 /nfs/dbraw/zinc/19/34/04/1028193404.db2.gz QMJHBNSSSLDKEA-KNQAVFIVSA-N 2 1 337.511 3.905 20 0 EHADMP Cc1cc(C)c(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)n1 ZINC000455464375 1028194178 /nfs/dbraw/zinc/19/41/78/1028194178.db2.gz DFCSZIPHLKPOGD-MRXNPFEDSA-N 2 1 342.443 3.558 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000161605093 1028204049 /nfs/dbraw/zinc/20/40/49/1028204049.db2.gz ZNPHUQYVBZGXHW-CZUORRHYSA-N 2 1 326.406 3.809 20 0 EHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423112450 1028204493 /nfs/dbraw/zinc/20/44/93/1028204493.db2.gz XSCCLMIGMDEGCL-UASUFHIXSA-N 3 1 349.950 3.969 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414720213 1028213286 /nfs/dbraw/zinc/21/32/86/1028213286.db2.gz XPJSHTRNVHSHEA-MRXNPFEDSA-N 2 1 325.294 3.722 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CCC(CSC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423159965 1028234726 /nfs/dbraw/zinc/23/47/26/1028234726.db2.gz QDAGVJKSQDHPMJ-FCUIKFHKSA-N 2 1 348.556 4.000 20 0 EHADMP CCn1ccnc1C[N@@H+](CC1CCCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000414720852 1028247393 /nfs/dbraw/zinc/24/73/93/1028247393.db2.gz DLQWMNPICNULCY-IBGZPJMESA-N 2 1 344.547 3.818 20 0 EHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423204054 1028272140 /nfs/dbraw/zinc/27/21/40/1028272140.db2.gz UBBXFNDJTODELF-OAHLLOKOSA-N 2 1 344.503 3.673 20 0 EHADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423204081 1028274467 /nfs/dbraw/zinc/27/44/67/1028274467.db2.gz UHQNTQYPJQZUKG-SECBINFHSA-N 2 1 328.300 3.984 20 0 EHADMP COC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1F ZINC000423293124 1028330888 /nfs/dbraw/zinc/33/08/88/1028330888.db2.gz PUTAGFZNDYIYOM-PXAZEXFGSA-N 2 1 336.838 3.976 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423320994 1028353339 /nfs/dbraw/zinc/35/33/39/1028353339.db2.gz FWAJXXLRLWTCFY-AUUYWEPGSA-N 2 1 346.906 3.874 20 0 EHADMP COc1cccc2c(NCC3CC[NH+](C4CC4)CC3)cc(C)[nH+]c12 ZINC000444880210 1028368441 /nfs/dbraw/zinc/36/84/41/1028368441.db2.gz UQURUBKHTYZXHE-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC[NH2+]1 ZINC000423368755 1028396062 /nfs/dbraw/zinc/39/60/62/1028396062.db2.gz FMPBYGFIZWVNIF-SUNKGSAMSA-N 2 1 329.271 3.937 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000423386101 1028402286 /nfs/dbraw/zinc/40/22/86/1028402286.db2.gz RFEDKXLQRWBCIV-UHIISALHSA-N 2 1 337.261 3.986 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423406873 1028421451 /nfs/dbraw/zinc/42/14/51/1028421451.db2.gz VFOLURCHUOQRNL-HONMWMINSA-N 2 1 329.271 3.795 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423405846 1028423346 /nfs/dbraw/zinc/42/33/46/1028423346.db2.gz UBTBOEZKALRMGA-UHNFBRDESA-N 2 1 341.268 3.627 20 0 EHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423438721 1028446686 /nfs/dbraw/zinc/44/66/86/1028446686.db2.gz HDTNHBMCQNYXNB-YCWTYVPXSA-N 2 1 329.307 3.557 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1Br ZINC000423478161 1028461988 /nfs/dbraw/zinc/46/19/88/1028461988.db2.gz MURUTOGVXTYFGY-SMDDNHRTSA-N 2 1 347.247 3.735 20 0 EHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000423503551 1028469451 /nfs/dbraw/zinc/46/94/51/1028469451.db2.gz FAMUAMZPAVTMMV-BQTPPKLHSA-N 2 1 349.950 3.638 20 0 EHADMP CC1(C)CC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000423508915 1028471766 /nfs/dbraw/zinc/47/17/66/1028471766.db2.gz LQISFYZBLVSNJH-WIXQSORDSA-N 2 1 341.543 3.605 20 0 EHADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001167647777 1028529808 /nfs/dbraw/zinc/52/98/08/1028529808.db2.gz OWZCLXRIOIPMCW-QHAWAJNXSA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001167647777 1028529824 /nfs/dbraw/zinc/52/98/24/1028529824.db2.gz OWZCLXRIOIPMCW-QHAWAJNXSA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001167647777 1028529836 /nfs/dbraw/zinc/52/98/36/1028529836.db2.gz OWZCLXRIOIPMCW-QHAWAJNXSA-N 2 1 342.527 3.788 20 0 EHADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523853134 1028662609 /nfs/dbraw/zinc/66/26/09/1028662609.db2.gz FLIPGHZYAGPEBC-SJLPKXTDSA-N 2 1 333.520 3.586 20 0 EHADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCCC(C)C ZINC000508528093 1028748493 /nfs/dbraw/zinc/74/84/93/1028748493.db2.gz KLJOHMWKLCJXOI-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCCC(C)C ZINC000508528093 1028748511 /nfs/dbraw/zinc/74/85/11/1028748511.db2.gz KLJOHMWKLCJXOI-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCCC(C)C ZINC000508528093 1028748527 /nfs/dbraw/zinc/74/85/27/1028748527.db2.gz KLJOHMWKLCJXOI-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCCC(C)C ZINC000508528093 1028748544 /nfs/dbraw/zinc/74/85/44/1028748544.db2.gz KLJOHMWKLCJXOI-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247192419 1028756683 /nfs/dbraw/zinc/75/66/83/1028756683.db2.gz QKJFKYXAYGMUGH-FGTMMUONSA-N 2 1 343.515 3.525 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000247247649 1028763408 /nfs/dbraw/zinc/76/34/08/1028763408.db2.gz ZJALRKGWARXTJY-IAGOWNOFSA-N 2 1 332.488 3.621 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000421828637 1028818370 /nfs/dbraw/zinc/81/83/70/1028818370.db2.gz DQMXWANKAIKEIF-BJLQDIEVSA-N 2 1 330.516 3.977 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000421828637 1028818388 /nfs/dbraw/zinc/81/83/88/1028818388.db2.gz DQMXWANKAIKEIF-BJLQDIEVSA-N 2 1 330.516 3.977 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248391438 1028880324 /nfs/dbraw/zinc/88/03/24/1028880324.db2.gz CFPBUTCDFNYMJK-BXWFABGCSA-N 2 1 343.515 3.949 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424287122 1028929130 /nfs/dbraw/zinc/92/91/30/1028929130.db2.gz IOXJEONBQLPCMF-INIZCTEOSA-N 2 1 328.500 3.778 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000502980589 1028940988 /nfs/dbraw/zinc/94/09/88/1028940988.db2.gz LMRWNNQEKIDLQH-IOASZLSFSA-N 2 1 325.294 3.625 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2sc(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000248742574 1028944816 /nfs/dbraw/zinc/94/48/16/1028944816.db2.gz QZNHEFOOWLMMBO-CMPLNLGQSA-N 2 1 335.439 3.632 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](Cc1ccncc1)c1cccs1)C1CC1 ZINC000424334755 1028982230 /nfs/dbraw/zinc/98/22/30/1028982230.db2.gz OFKYEWSSFNYYQT-SFHVURJKSA-N 2 1 329.513 3.891 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424307202 1028988564 /nfs/dbraw/zinc/98/85/64/1028988564.db2.gz XCBJWLVIUSWLLF-GOSISDBHSA-N 2 1 329.513 3.889 20 0 EHADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435794 1029007831 /nfs/dbraw/zinc/00/78/31/1029007831.db2.gz BAERTVXETFKDIW-HNNXBMFYSA-N 2 1 325.294 3.659 20 0 EHADMP COc1ccc([C@@H](NCC[C@H]2CCC[N@H+]2C)c2ccc(F)cc2)cc1 ZINC000503073050 1029027286 /nfs/dbraw/zinc/02/72/86/1029027286.db2.gz MJYDRCKJRGZMPS-CTNGQTDRSA-N 2 1 342.458 3.998 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424376516 1029033961 /nfs/dbraw/zinc/03/39/61/1029033961.db2.gz PLANOOUKNNNNHG-KBRIMQKVSA-N 2 1 329.513 3.963 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310982565 1029191758 /nfs/dbraw/zinc/19/17/58/1029191758.db2.gz GESZWLZZSHRYFD-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000245743838 1029228865 /nfs/dbraw/zinc/22/88/65/1029228865.db2.gz XRKKVHKALVXTJR-PXNSSMCTSA-N 2 1 327.472 3.742 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000245743838 1029228880 /nfs/dbraw/zinc/22/88/80/1029228880.db2.gz XRKKVHKALVXTJR-PXNSSMCTSA-N 2 1 327.472 3.742 20 0 EHADMP Brc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075693 1029275121 /nfs/dbraw/zinc/27/51/21/1029275121.db2.gz BLTUOQMILIVULC-CRAIPNDOSA-N 2 1 349.316 3.898 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000154854682 1029324889 /nfs/dbraw/zinc/32/48/89/1029324889.db2.gz LZKUMXNACPWSRE-IBGZPJMESA-N 2 1 336.907 3.808 20 0 EHADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000272310097 1029408428 /nfs/dbraw/zinc/40/84/28/1029408428.db2.gz IRORECDHPHJPQW-GQIGUUNPSA-N 2 1 338.499 3.655 20 0 EHADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(C)(C)CC2)c2cccs2)CC1 ZINC000524678631 1029418011 /nfs/dbraw/zinc/41/80/11/1029418011.db2.gz BUAGTOZWMJJEPF-QGZVFWFLSA-N 2 1 335.561 3.595 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155108242 1029425595 /nfs/dbraw/zinc/42/55/95/1029425595.db2.gz DSPWVEUVVKAJLC-VQIMIIECSA-N 2 1 327.472 3.512 20 0 EHADMP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396196 1029446369 /nfs/dbraw/zinc/44/63/69/1029446369.db2.gz YUNFDBKUTPTZPI-UYAOXDASSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272396196 1029446373 /nfs/dbraw/zinc/44/63/73/1029446373.db2.gz YUNFDBKUTPTZPI-UYAOXDASSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396196 1029446377 /nfs/dbraw/zinc/44/63/77/1029446377.db2.gz YUNFDBKUTPTZPI-UYAOXDASSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000583257515 1029447483 /nfs/dbraw/zinc/44/74/83/1029447483.db2.gz UCXXYUQKKOMPDL-BBTHKVSRSA-N 2 1 338.451 3.749 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261688519 1029482074 /nfs/dbraw/zinc/48/20/74/1029482074.db2.gz ASZUCTSZUMFSPU-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261688519 1029482078 /nfs/dbraw/zinc/48/20/78/1029482078.db2.gz ASZUCTSZUMFSPU-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCCC1 ZINC000414838951 1029529989 /nfs/dbraw/zinc/52/99/89/1029529989.db2.gz LBDBWSUSQUILOB-FQEVSTJZSA-N 2 1 349.950 3.802 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261923037 1029531140 /nfs/dbraw/zinc/53/11/40/1029531140.db2.gz KSXRXABQGRXXQE-HXUWFJFHSA-N 2 1 330.422 3.767 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669959 1029558468 /nfs/dbraw/zinc/55/84/68/1029558468.db2.gz PDQGERRGBDWZPW-NNWRFLSQSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669959 1029558476 /nfs/dbraw/zinc/55/84/76/1029558476.db2.gz PDQGERRGBDWZPW-NNWRFLSQSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669959 1029558483 /nfs/dbraw/zinc/55/84/83/1029558483.db2.gz PDQGERRGBDWZPW-NNWRFLSQSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669959 1029558491 /nfs/dbraw/zinc/55/84/91/1029558491.db2.gz PDQGERRGBDWZPW-NNWRFLSQSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669959 1029558499 /nfs/dbraw/zinc/55/84/99/1029558499.db2.gz PDQGERRGBDWZPW-NNWRFLSQSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669959 1029558504 /nfs/dbraw/zinc/55/85/04/1029558504.db2.gz PDQGERRGBDWZPW-NNWRFLSQSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669959 1029558513 /nfs/dbraw/zinc/55/85/13/1029558513.db2.gz PDQGERRGBDWZPW-NNWRFLSQSA-N 3 1 343.559 3.607 20 0 EHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851022 1029560583 /nfs/dbraw/zinc/56/05/83/1029560583.db2.gz OIMQSXODAWWEJL-APWZRJJASA-N 2 1 331.504 3.518 20 0 EHADMP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000428437680 1029563196 /nfs/dbraw/zinc/56/31/96/1029563196.db2.gz HZVWNACNLXXSCZ-MRXNPFEDSA-N 2 1 342.487 3.937 20 0 EHADMP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000428437680 1029563208 /nfs/dbraw/zinc/56/32/08/1029563208.db2.gz HZVWNACNLXXSCZ-MRXNPFEDSA-N 2 1 342.487 3.937 20 0 EHADMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720172 1029579449 /nfs/dbraw/zinc/57/94/49/1029579449.db2.gz XCDNEXJOZDPDBI-JBACZVJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000272720172 1029579464 /nfs/dbraw/zinc/57/94/64/1029579464.db2.gz XCDNEXJOZDPDBI-JBACZVJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000272720172 1029579474 /nfs/dbraw/zinc/57/94/74/1029579474.db2.gz XCDNEXJOZDPDBI-JBACZVJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272720172 1029579479 /nfs/dbraw/zinc/57/94/79/1029579479.db2.gz XCDNEXJOZDPDBI-JBACZVJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720172 1029579484 /nfs/dbraw/zinc/57/94/84/1029579484.db2.gz XCDNEXJOZDPDBI-JBACZVJFSA-N 2 1 341.543 3.504 20 0 EHADMP CC[C@]1(CO)CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000428445638 1029667207 /nfs/dbraw/zinc/66/72/07/1029667207.db2.gz HDDGPRBTLHPHJZ-NRFANRHFSA-N 2 1 332.532 3.629 20 0 EHADMP CC[C@]1(CO)CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000428445638 1029667208 /nfs/dbraw/zinc/66/72/08/1029667208.db2.gz HDDGPRBTLHPHJZ-NRFANRHFSA-N 2 1 332.532 3.629 20 0 EHADMP CC[C@]1(CO)CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000428445638 1029667213 /nfs/dbraw/zinc/66/72/13/1029667213.db2.gz HDDGPRBTLHPHJZ-NRFANRHFSA-N 2 1 332.532 3.629 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000546613904 1029691385 /nfs/dbraw/zinc/69/13/85/1029691385.db2.gz KYAXWKSBIUSILV-UHFFFAOYSA-N 2 1 346.515 3.852 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739768 1029715305 /nfs/dbraw/zinc/71/53/05/1029715305.db2.gz ACIQNZGVPWOMGA-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP CCC(CC)[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508711874 1029787366 /nfs/dbraw/zinc/78/73/66/1029787366.db2.gz BNLIYNKOKFCHFW-QIJUGHKUSA-N 2 1 345.575 3.853 20 0 EHADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338221 1029814719 /nfs/dbraw/zinc/81/47/19/1029814719.db2.gz ORJMJZTUWIGRGI-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721433 1029831483 /nfs/dbraw/zinc/83/14/83/1029831483.db2.gz URCZTLBTJHDUDV-GIVPXCGWSA-N 2 1 332.532 3.674 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CC(C)C)c2ccccc2)CC1 ZINC000360051644 1029836218 /nfs/dbraw/zinc/83/62/18/1029836218.db2.gz FPHSJSMKXGSVJH-NRFANRHFSA-N 2 1 331.548 3.781 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000447085122 1029912025 /nfs/dbraw/zinc/91/20/25/1029912025.db2.gz HEWCUIBAVYXZHC-QGZVFWFLSA-N 2 1 334.467 3.947 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000650708024 1030006219 /nfs/dbraw/zinc/00/62/19/1030006219.db2.gz RTBSOQVFWWQFCK-XGWLTEMNSA-N 2 1 343.298 3.712 20 0 EHADMP CC(C)[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708247 1030007531 /nfs/dbraw/zinc/00/75/31/1030007531.db2.gz WFLPFTKKXMKFGS-TUFLPTIASA-N 2 1 330.516 3.645 20 0 EHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650707298 1030014248 /nfs/dbraw/zinc/01/42/48/1030014248.db2.gz CMZVLAZRSSCLFC-PWRODBHTSA-N 2 1 330.516 3.571 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708423 1030027923 /nfs/dbraw/zinc/02/79/23/1030027923.db2.gz ZJZGWUDYCQNYTR-FCEWJHQRSA-N 2 1 336.907 3.621 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000583527243 1030037527 /nfs/dbraw/zinc/03/75/27/1030037527.db2.gz SKHUMHHKYFZKGT-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000583527243 1030037547 /nfs/dbraw/zinc/03/75/47/1030037547.db2.gz SKHUMHHKYFZKGT-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1Br ZINC000583527243 1030037508 /nfs/dbraw/zinc/03/75/08/1030037508.db2.gz SKHUMHHKYFZKGT-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H]1CC[NH3+] ZINC000650711384 1030062077 /nfs/dbraw/zinc/06/20/77/1030062077.db2.gz RVCNTIYXWBOYMU-LAUBAEHRSA-N 2 1 339.483 3.610 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453386748 1030165620 /nfs/dbraw/zinc/16/56/20/1030165620.db2.gz PGSCKOLIGREHAK-ICSRJNTNSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1OC(F)F ZINC000453387832 1030168358 /nfs/dbraw/zinc/16/83/58/1030168358.db2.gz BIFWHJAWVXDDDJ-GFCCVEGCSA-N 2 1 330.394 3.952 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000482033477 1030173577 /nfs/dbraw/zinc/17/35/77/1030173577.db2.gz OMMQPHRTQCXGCH-XJKSGUPXSA-N 2 1 339.321 3.657 20 0 EHADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772009 1030190810 /nfs/dbraw/zinc/19/08/10/1030190810.db2.gz IOKMDEUOWKHKHU-AZUAARDMSA-N 2 1 330.516 3.692 20 0 EHADMP Fc1cccc(F)c1CC1CC[NH+]([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453378125 1030200438 /nfs/dbraw/zinc/20/04/38/1030200438.db2.gz VMLPREFIRFEEDN-IRXDYDNUSA-N 2 1 334.454 3.846 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCOCC2CCCC2)C3)cc1 ZINC000453398024 1030206757 /nfs/dbraw/zinc/20/67/57/1030206757.db2.gz MIVGVZGKHXAEAK-KOUNCHBCSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000453405368 1030215576 /nfs/dbraw/zinc/21/55/76/1030215576.db2.gz QKHJYKBDTOAIGB-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000453405368 1030215591 /nfs/dbraw/zinc/21/55/91/1030215591.db2.gz QKHJYKBDTOAIGB-AZUAARDMSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000453405368 1030215608 /nfs/dbraw/zinc/21/56/08/1030215608.db2.gz QKHJYKBDTOAIGB-AZUAARDMSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405368 1030215623 /nfs/dbraw/zinc/21/56/23/1030215623.db2.gz QKHJYKBDTOAIGB-AZUAARDMSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405368 1030215641 /nfs/dbraw/zinc/21/56/41/1030215641.db2.gz QKHJYKBDTOAIGB-AZUAARDMSA-N 3 1 329.532 3.504 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000482151333 1030228643 /nfs/dbraw/zinc/22/86/43/1030228643.db2.gz ONVSJVIIKMFYDF-ZBFHGGJFSA-N 2 1 338.517 3.525 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091321119 1030256312 /nfs/dbraw/zinc/25/63/12/1030256312.db2.gz AJVPWCROHKTDSL-YVEFUNNKSA-N 2 1 348.288 3.867 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OCC)[C@H](C)C1 ZINC000121435894 1030270041 /nfs/dbraw/zinc/27/00/41/1030270041.db2.gz MQOPWNLQTGTSCD-HBFSDRIKSA-N 2 1 348.531 3.873 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OCC)[C@H](C)C1 ZINC000121435894 1030270056 /nfs/dbraw/zinc/27/00/56/1030270056.db2.gz MQOPWNLQTGTSCD-HBFSDRIKSA-N 2 1 348.531 3.873 20 0 EHADMP COC(=O)C(C)(C)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000525978367 1030296517 /nfs/dbraw/zinc/29/65/17/1030296517.db2.gz SJIHQOOXSUTQRG-MJGOQNOKSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000525978367 1030296532 /nfs/dbraw/zinc/29/65/32/1030296532.db2.gz SJIHQOOXSUTQRG-MJGOQNOKSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000525978367 1030296541 /nfs/dbraw/zinc/29/65/41/1030296541.db2.gz SJIHQOOXSUTQRG-MJGOQNOKSA-N 2 1 346.515 3.561 20 0 EHADMP COC(=O)C(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000525978367 1030296553 /nfs/dbraw/zinc/29/65/53/1030296553.db2.gz SJIHQOOXSUTQRG-MJGOQNOKSA-N 2 1 346.515 3.561 20 0 EHADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447562610 1030306679 /nfs/dbraw/zinc/30/66/79/1030306679.db2.gz MODZUXOTFQMDPO-DARKYYSBSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151086780 1030347583 /nfs/dbraw/zinc/34/75/83/1030347583.db2.gz YUTDCTRCKODOKH-GOSISDBHSA-N 2 1 329.532 3.756 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151086780 1030347594 /nfs/dbraw/zinc/34/75/94/1030347594.db2.gz YUTDCTRCKODOKH-GOSISDBHSA-N 2 1 329.532 3.756 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092742371 1030509896 /nfs/dbraw/zinc/50/98/96/1030509896.db2.gz RWRZGJMNFUSDBG-CQSZACIVSA-N 2 1 339.549 3.556 20 0 EHADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482553979 1030539772 /nfs/dbraw/zinc/53/97/72/1030539772.db2.gz HGEDITGESLJJAL-JXFKEZNVSA-N 2 1 346.490 3.684 20 0 EHADMP C[C@H]([NH2+][C@H]1CNc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650748917 1030589118 /nfs/dbraw/zinc/58/91/18/1030589118.db2.gz CNRSOHVZYGRNIU-IOMROCGXSA-N 2 1 335.495 3.523 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122474255 1030646388 /nfs/dbraw/zinc/64/63/88/1030646388.db2.gz GURPNLAGQOGNKU-FQEVSTJZSA-N 2 1 339.483 3.964 20 0 EHADMP Fc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000093735195 1030666913 /nfs/dbraw/zinc/66/69/13/1030666913.db2.gz BWODTLSDAGSQDV-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000470013128 1030679951 /nfs/dbraw/zinc/67/99/51/1030679951.db2.gz VLXZMRSEFXXISL-GOSISDBHSA-N 2 1 334.504 3.552 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000470013128 1030679961 /nfs/dbraw/zinc/67/99/61/1030679961.db2.gz VLXZMRSEFXXISL-GOSISDBHSA-N 2 1 334.504 3.552 20 0 EHADMP C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550895936 1030777971 /nfs/dbraw/zinc/77/79/71/1030777971.db2.gz YVSMCAAOBDVFBF-VLCRHTCISA-N 2 1 344.543 3.675 20 0 EHADMP CCCC[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000122971160 1030821027 /nfs/dbraw/zinc/82/10/27/1030821027.db2.gz FSVJSJVUXSAZCC-NRFANRHFSA-N 2 1 329.532 3.505 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000122971160 1030821044 /nfs/dbraw/zinc/82/10/44/1030821044.db2.gz FSVJSJVUXSAZCC-NRFANRHFSA-N 2 1 329.532 3.505 20 0 EHADMP c1cc(CN2CC3(CCC3)[C@H]2c2ccccc2)n(-c2ccncc2)n1 ZINC000668192227 1030910111 /nfs/dbraw/zinc/91/01/11/1030910111.db2.gz XRVZDVNDRMEZFV-HXUWFJFHSA-N 2 1 330.435 3.995 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000157930275 1030970344 /nfs/dbraw/zinc/97/03/44/1030970344.db2.gz ZJALRKGWARXTJY-SJORKVTESA-N 2 1 332.488 3.621 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000551050734 1030982132 /nfs/dbraw/zinc/98/21/32/1030982132.db2.gz KZKDEFWUTZMCNE-FSGKZVOOSA-N 2 1 328.500 3.615 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1c1ccccc1 ZINC000551050734 1030982148 /nfs/dbraw/zinc/98/21/48/1030982148.db2.gz KZKDEFWUTZMCNE-FSGKZVOOSA-N 2 1 328.500 3.615 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000551088737 1031032069 /nfs/dbraw/zinc/03/20/69/1031032069.db2.gz FZKNVYAPVVBZHK-NJTIBFSMSA-N 2 1 341.543 3.580 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000551088737 1031032086 /nfs/dbraw/zinc/03/20/86/1031032086.db2.gz FZKNVYAPVVBZHK-NJTIBFSMSA-N 2 1 341.543 3.580 20 0 EHADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCCCC1 ZINC000551169124 1031073005 /nfs/dbraw/zinc/07/30/05/1031073005.db2.gz APWLODRTBCEBOH-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc3nccn32)CC1)CC(C)C ZINC000583899274 1031075242 /nfs/dbraw/zinc/07/52/42/1031075242.db2.gz ILCWVNZUSPKFQX-UHFFFAOYSA-N 2 1 342.531 3.914 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000194610619 1031085141 /nfs/dbraw/zinc/08/51/41/1031085141.db2.gz DVZINOXUJUWOQA-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551259738 1031165926 /nfs/dbraw/zinc/16/59/26/1031165926.db2.gz QIFSRACJYAQRQC-RXVVDRJESA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151218504 1031190734 /nfs/dbraw/zinc/19/07/34/1031190734.db2.gz YPJVNSATNJIGME-GOSISDBHSA-N 2 1 344.499 3.560 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151218504 1031190738 /nfs/dbraw/zinc/19/07/38/1031190738.db2.gz YPJVNSATNJIGME-GOSISDBHSA-N 2 1 344.499 3.560 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903112276 1031236557 /nfs/dbraw/zinc/23/65/57/1031236557.db2.gz GXHKKZJOAJZGJX-FQEVSTJZSA-N 2 1 334.479 3.756 20 0 EHADMP Fc1cccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)c1 ZINC000175097071 1031273488 /nfs/dbraw/zinc/27/34/88/1031273488.db2.gz ZQPQGGXNOQBILU-UHFFFAOYSA-N 2 1 343.446 3.789 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000483730217 1031306112 /nfs/dbraw/zinc/30/61/12/1031306112.db2.gz OEUJWGBKAFHAKL-RUENVJTFSA-N 2 1 334.479 3.933 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000483730217 1031306130 /nfs/dbraw/zinc/30/61/30/1031306130.db2.gz OEUJWGBKAFHAKL-RUENVJTFSA-N 2 1 334.479 3.933 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945143 1031406447 /nfs/dbraw/zinc/40/64/47/1031406447.db2.gz NENWIWCZXZIQHN-CQSZACIVSA-N 2 1 328.859 3.522 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945143 1031406455 /nfs/dbraw/zinc/40/64/55/1031406455.db2.gz NENWIWCZXZIQHN-CQSZACIVSA-N 2 1 328.859 3.522 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945143 1031406463 /nfs/dbraw/zinc/40/64/63/1031406463.db2.gz NENWIWCZXZIQHN-CQSZACIVSA-N 2 1 328.859 3.522 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483945143 1031406467 /nfs/dbraw/zinc/40/64/67/1031406467.db2.gz NENWIWCZXZIQHN-CQSZACIVSA-N 2 1 328.859 3.522 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4cn(C)nc4c3)CC2)C1 ZINC000527961150 1031530257 /nfs/dbraw/zinc/53/02/57/1031530257.db2.gz HCIPVBOBMJPPTP-UZLBHIALSA-N 2 1 340.515 3.706 20 0 EHADMP CCc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000475724199 1031604199 /nfs/dbraw/zinc/60/41/99/1031604199.db2.gz RXRIZEQNPQZYJX-ATZDWAIDSA-N 2 1 336.907 3.586 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000475724199 1031604206 /nfs/dbraw/zinc/60/42/06/1031604206.db2.gz RXRIZEQNPQZYJX-ATZDWAIDSA-N 2 1 336.907 3.586 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)ccc1OC(F)F ZINC000178409636 1031696417 /nfs/dbraw/zinc/69/64/17/1031696417.db2.gz XWBCRICXIAEBSG-CQSZACIVSA-N 2 1 342.430 3.823 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000180701883 1031900790 /nfs/dbraw/zinc/90/07/90/1031900790.db2.gz BQJGMWDVXAIJRC-CABCVRRESA-N 2 1 343.471 3.952 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000657836235 1031993699 /nfs/dbraw/zinc/99/36/99/1031993699.db2.gz JTGLSIIDJZFVLF-YLJYHZDGSA-N 2 1 328.500 3.862 20 0 EHADMP c1c[nH]c([C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2ccccn2)n1 ZINC000278693426 1032032946 /nfs/dbraw/zinc/03/29/46/1032032946.db2.gz KNLBSAMFKYEEPE-IBGZPJMESA-N 2 1 341.503 3.530 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1cn(C)nc1-c1cccs1)C(C)C ZINC000093967115 1033527686 /nfs/dbraw/zinc/52/76/86/1033527686.db2.gz VAWFFYKAMQMMLQ-UHFFFAOYSA-N 2 1 334.533 3.747 20 0 EHADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000595038258 1033658690 /nfs/dbraw/zinc/65/86/90/1033658690.db2.gz IBZDLHYEQMKJKC-SJLPKXTDSA-N 2 1 338.536 3.968 20 0 EHADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000595038258 1033658703 /nfs/dbraw/zinc/65/87/03/1033658703.db2.gz IBZDLHYEQMKJKC-SJLPKXTDSA-N 2 1 338.536 3.968 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550612375 1033729668 /nfs/dbraw/zinc/72/96/68/1033729668.db2.gz NZKNMLUMRCIRGU-LEWJYISDSA-N 2 1 329.532 3.532 20 0 EHADMP CCCn1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000574968111 1033744423 /nfs/dbraw/zinc/74/44/23/1033744423.db2.gz OSWQHRWMDHQOSN-FGZHOGPDSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000574968111 1033744441 /nfs/dbraw/zinc/74/44/41/1033744441.db2.gz OSWQHRWMDHQOSN-FGZHOGPDSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000574968111 1033744461 /nfs/dbraw/zinc/74/44/61/1033744461.db2.gz OSWQHRWMDHQOSN-FGZHOGPDSA-N 2 1 337.511 3.852 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017769 1033843475 /nfs/dbraw/zinc/84/34/75/1033843475.db2.gz BBHGXCPZBGMUGB-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000550700123 1033879360 /nfs/dbraw/zinc/87/93/60/1033879360.db2.gz BSEBJOJEZOEUCF-HJNYFJLDSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550700123 1033879376 /nfs/dbraw/zinc/87/93/76/1033879376.db2.gz BSEBJOJEZOEUCF-HJNYFJLDSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550700123 1033879401 /nfs/dbraw/zinc/87/94/01/1033879401.db2.gz BSEBJOJEZOEUCF-HJNYFJLDSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550700123 1033879411 /nfs/dbraw/zinc/87/94/11/1033879411.db2.gz BSEBJOJEZOEUCF-HJNYFJLDSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000550700123 1033879424 /nfs/dbraw/zinc/87/94/24/1033879424.db2.gz BSEBJOJEZOEUCF-HJNYFJLDSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550699284 1033888748 /nfs/dbraw/zinc/88/87/48/1033888748.db2.gz HIAPDGLPJKYFRJ-YPAWHYETSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550699284 1033888759 /nfs/dbraw/zinc/88/87/59/1033888759.db2.gz HIAPDGLPJKYFRJ-YPAWHYETSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550699284 1033888773 /nfs/dbraw/zinc/88/87/73/1033888773.db2.gz HIAPDGLPJKYFRJ-YPAWHYETSA-N 2 1 343.559 3.922 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091709 1033921074 /nfs/dbraw/zinc/92/10/74/1033921074.db2.gz NKJKWOWJVUNDLX-DZFGPLHGSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595716437 1033959879 /nfs/dbraw/zinc/95/98/79/1033959879.db2.gz GDMQSMKCCIGNFG-UHFFFAOYSA-N 2 1 349.519 3.806 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595717823 1033960907 /nfs/dbraw/zinc/96/09/07/1033960907.db2.gz PVZSDDQZUVYYSA-SFHVURJKSA-N 2 1 338.536 3.695 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1F ZINC000658138372 1034002143 /nfs/dbraw/zinc/00/21/43/1034002143.db2.gz MNZLJORESVYDEX-GHTZIAJQSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658139403 1034005199 /nfs/dbraw/zinc/00/51/99/1034005199.db2.gz RFXZLITVSJNJJU-PERKRYKHSA-N 2 1 336.479 3.591 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001168322165 1034081758 /nfs/dbraw/zinc/08/17/58/1034081758.db2.gz OLZPYSOUKMAQRR-SAZYNNDCSA-N 2 1 342.527 3.898 20 0 EHADMP CCc1ccc2[nH+]ccc(N3CCC(Cc4[nH+]ccn4C)CC3)c2c1 ZINC000450319469 1034126938 /nfs/dbraw/zinc/12/69/38/1034126938.db2.gz LWKCLSWGNAFLCE-UHFFFAOYSA-N 2 1 334.467 3.990 20 0 EHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000658269622 1034147976 /nfs/dbraw/zinc/14/79/76/1034147976.db2.gz WYLNNQTXXXUIJV-OXJNMPFZSA-N 2 1 344.547 3.820 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]2CNCC2=Cc3ccccc3OC2)cc1 ZINC000604069586 1034195096 /nfs/dbraw/zinc/19/50/96/1034195096.db2.gz XRKRNDSTNCFHPX-NRFANRHFSA-N 2 1 334.463 3.717 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H]2CNCC2=Cc3ccccc3OC2)cc1 ZINC000604069586 1034195112 /nfs/dbraw/zinc/19/51/12/1034195112.db2.gz XRKRNDSTNCFHPX-NRFANRHFSA-N 2 1 334.463 3.717 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319753 1034196249 /nfs/dbraw/zinc/19/62/49/1034196249.db2.gz IFMZGXVTZIZKAL-APWZRJJASA-N 2 1 338.499 3.671 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001168329223 1034202818 /nfs/dbraw/zinc/20/28/18/1034202818.db2.gz QQGDDYSKXMJDGO-HRTMPFAESA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H]1[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000310253729 1034304501 /nfs/dbraw/zinc/30/45/01/1034304501.db2.gz XKHCTAKZMOYMPZ-VQIMIIECSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@@H]1[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000310253729 1034304506 /nfs/dbraw/zinc/30/45/06/1034304506.db2.gz XKHCTAKZMOYMPZ-VQIMIIECSA-N 2 1 329.532 3.548 20 0 EHADMP CSC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000596648991 1034346837 /nfs/dbraw/zinc/34/68/37/1034346837.db2.gz WRLMFBMVYBZSKO-CQSZACIVSA-N 2 1 332.435 3.971 20 0 EHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388740 1034360459 /nfs/dbraw/zinc/36/04/59/1034360459.db2.gz NIFZNSFBKUCUAK-AZUAARDMSA-N 2 1 337.511 3.613 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001168121527 1034375524 /nfs/dbraw/zinc/37/55/24/1034375524.db2.gz LYZKXRYBOYUHKO-YSDSKTICSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001168121527 1034375536 /nfs/dbraw/zinc/37/55/36/1034375536.db2.gz LYZKXRYBOYUHKO-YSDSKTICSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001168121527 1034375548 /nfs/dbraw/zinc/37/55/48/1034375548.db2.gz LYZKXRYBOYUHKO-YSDSKTICSA-N 2 1 348.556 3.848 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000310368290 1034421616 /nfs/dbraw/zinc/42/16/16/1034421616.db2.gz MWKZJBYPFJQFQX-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340184588 1034437876 /nfs/dbraw/zinc/43/78/76/1034437876.db2.gz FYXUECBSOKAUQX-PMACEKPBSA-N 2 1 339.483 3.794 20 0 EHADMP CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340184588 1034437881 /nfs/dbraw/zinc/43/78/81/1034437881.db2.gz FYXUECBSOKAUQX-PMACEKPBSA-N 2 1 339.483 3.794 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247659 1034479415 /nfs/dbraw/zinc/47/94/15/1034479415.db2.gz PNBYQYKITLIGIO-ADLFWFRXSA-N 2 1 327.472 3.648 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247659 1034479419 /nfs/dbraw/zinc/47/94/19/1034479419.db2.gz PNBYQYKITLIGIO-ADLFWFRXSA-N 2 1 327.472 3.648 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000340254849 1034481003 /nfs/dbraw/zinc/48/10/03/1034481003.db2.gz DCHOACFEUPEOOS-LWYYNNOASA-N 2 1 328.500 3.759 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000340254849 1034481015 /nfs/dbraw/zinc/48/10/15/1034481015.db2.gz DCHOACFEUPEOOS-LWYYNNOASA-N 2 1 328.500 3.759 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000390548267 1034759674 /nfs/dbraw/zinc/75/96/74/1034759674.db2.gz JFSXJQJLKBWAQD-VKQJQLINSA-N 2 1 342.527 3.975 20 0 EHADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000163298193 1035028684 /nfs/dbraw/zinc/02/86/84/1035028684.db2.gz HPXLANDPCRMLKN-SJORKVTESA-N 2 1 334.504 3.867 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccn(C)n1 ZINC000414073656 1035447360 /nfs/dbraw/zinc/44/73/60/1035447360.db2.gz WECZHIFWBQJICY-QGZVFWFLSA-N 2 1 326.488 3.503 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000414084398 1035463543 /nfs/dbraw/zinc/46/35/43/1035463543.db2.gz XCSALCGASVAVBO-QGZVFWFLSA-N 2 1 341.499 3.651 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414113199 1035574880 /nfs/dbraw/zinc/57/48/80/1035574880.db2.gz KKYFFNGPWHPNLK-SJLPKXTDSA-N 2 1 336.907 3.677 20 0 EHADMP Cc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000924574296 1035687479 /nfs/dbraw/zinc/68/74/79/1035687479.db2.gz VGCOVMXARYJRQD-OAQYLSRUSA-N 2 1 336.479 3.604 20 0 EHADMP C[C@H]([NH2+]CCOc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372021 1035717538 /nfs/dbraw/zinc/71/75/38/1035717538.db2.gz FKFZKJCHICWUBT-PKOBYXMFSA-N 2 1 342.458 3.705 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1Br ZINC000414150416 1035788680 /nfs/dbraw/zinc/78/86/80/1035788680.db2.gz UZMVFOZHCLWMHL-HEHGZKQESA-N 2 1 325.294 3.576 20 0 EHADMP Cc1nccnc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000188069914 1035888612 /nfs/dbraw/zinc/88/86/12/1035888612.db2.gz VZBRXIWZFNYJLJ-MPGHIAIKSA-N 2 1 330.501 3.580 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000549032320 1036070796 /nfs/dbraw/zinc/07/07/96/1036070796.db2.gz ZNVFFFXTOHBDTL-WOJBJXKFSA-N 2 1 342.527 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000549032320 1036070814 /nfs/dbraw/zinc/07/08/14/1036070814.db2.gz ZNVFFFXTOHBDTL-WOJBJXKFSA-N 2 1 342.527 3.836 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000153374052 1036142944 /nfs/dbraw/zinc/14/29/44/1036142944.db2.gz MOGIUSJEQWMBDV-UHFFFAOYSA-N 3 1 329.532 3.637 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414225164 1036163004 /nfs/dbraw/zinc/16/30/04/1036163004.db2.gz BADMSCWRICCNMD-VKRLORBYSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892581214 1036275513 /nfs/dbraw/zinc/27/55/13/1036275513.db2.gz VDCJZBVCRXLPEQ-RPCJCACASA-N 2 1 330.516 3.702 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000191270598 1036358031 /nfs/dbraw/zinc/35/80/31/1036358031.db2.gz ALRPUEINGOMBEN-UHFFFAOYSA-N 2 1 344.547 3.813 20 0 EHADMP OCCCCCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389402 1036364244 /nfs/dbraw/zinc/36/42/44/1036364244.db2.gz OEIRWERSUKORAP-UHFFFAOYSA-N 2 1 344.543 3.916 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000308424072 1036449888 /nfs/dbraw/zinc/44/98/88/1036449888.db2.gz QBMATNSGOKWQCH-RSPOEFSDSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000308424072 1036449895 /nfs/dbraw/zinc/44/98/95/1036449895.db2.gz QBMATNSGOKWQCH-RSPOEFSDSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000572630207 1036457139 /nfs/dbraw/zinc/45/71/39/1036457139.db2.gz DXAKJOFRQYIVBZ-ZDUSSCGKSA-N 2 1 330.501 3.826 20 0 EHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000653279645 1036600503 /nfs/dbraw/zinc/60/05/03/1036600503.db2.gz XYXKYJROEVMDER-HNAYVOBHSA-N 2 1 328.431 3.716 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000303023100 1037017914 /nfs/dbraw/zinc/01/79/14/1037017914.db2.gz NHOUIBOZPLRZEO-SFHVURJKSA-N 2 1 334.479 3.648 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000303023100 1037017926 /nfs/dbraw/zinc/01/79/26/1037017926.db2.gz NHOUIBOZPLRZEO-SFHVURJKSA-N 2 1 334.479 3.648 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000311792502 1037041315 /nfs/dbraw/zinc/04/13/15/1037041315.db2.gz YNOOAMQAJMZFBJ-LOWVWBTDSA-N 2 1 341.318 3.714 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000311792502 1037041329 /nfs/dbraw/zinc/04/13/29/1037041329.db2.gz YNOOAMQAJMZFBJ-LOWVWBTDSA-N 2 1 341.318 3.714 20 0 EHADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786293 1037051131 /nfs/dbraw/zinc/05/11/31/1037051131.db2.gz NFLVSKBRJKUPOV-SFHVURJKSA-N 2 1 345.531 3.683 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000539816997 1037237032 /nfs/dbraw/zinc/23/70/32/1037237032.db2.gz MBDOUTMKWYTXOS-YPMHNXCESA-N 2 1 331.323 3.815 20 0 EHADMP CCOC[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000539826677 1037250304 /nfs/dbraw/zinc/25/03/04/1037250304.db2.gz RNIFBJVMTDHLBK-FQEVSTJZSA-N 2 1 332.532 3.893 20 0 EHADMP CCOC[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000539826677 1037250318 /nfs/dbraw/zinc/25/03/18/1037250318.db2.gz RNIFBJVMTDHLBK-FQEVSTJZSA-N 2 1 332.532 3.893 20 0 EHADMP CCOC[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000539826677 1037250330 /nfs/dbraw/zinc/25/03/30/1037250330.db2.gz RNIFBJVMTDHLBK-FQEVSTJZSA-N 2 1 332.532 3.893 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000539850322 1037279120 /nfs/dbraw/zinc/27/91/20/1037279120.db2.gz IZGHMTSUGFLWCP-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000539850322 1037279137 /nfs/dbraw/zinc/27/91/37/1037279137.db2.gz IZGHMTSUGFLWCP-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539850322 1037279152 /nfs/dbraw/zinc/27/91/52/1037279152.db2.gz IZGHMTSUGFLWCP-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539850322 1037279167 /nfs/dbraw/zinc/27/91/67/1037279167.db2.gz IZGHMTSUGFLWCP-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532449431 1037320072 /nfs/dbraw/zinc/32/00/72/1037320072.db2.gz QUWXIPNWOMXZFS-OAQYLSRUSA-N 2 1 329.532 3.535 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000539899644 1037337636 /nfs/dbraw/zinc/33/76/36/1037337636.db2.gz IKCIEQPJSGDYNA-NHCUHLMSSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000539899644 1037337648 /nfs/dbraw/zinc/33/76/48/1037337648.db2.gz IKCIEQPJSGDYNA-NHCUHLMSSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000539899644 1037337665 /nfs/dbraw/zinc/33/76/65/1037337665.db2.gz IKCIEQPJSGDYNA-NHCUHLMSSA-N 2 1 344.543 3.893 20 0 EHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000542467719 1037402386 /nfs/dbraw/zinc/40/23/86/1037402386.db2.gz QUMZTQOXSWMMTN-PLACYPQZSA-N 2 1 335.580 3.693 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462791405 1037403921 /nfs/dbraw/zinc/40/39/21/1037403921.db2.gz AGNAVTZODLHZBW-SFHVURJKSA-N 2 1 346.515 3.852 20 0 EHADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000462809821 1037414392 /nfs/dbraw/zinc/41/43/92/1037414392.db2.gz SRCYSOIOTJIXQO-GHTZIAJQSA-N 2 1 330.516 3.599 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168432848 1037461247 /nfs/dbraw/zinc/46/12/47/1037461247.db2.gz ZAQDSYYKTGCFDF-LJQANCHMSA-N 2 1 339.458 3.625 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cs1 ZINC000300271778 1037537938 /nfs/dbraw/zinc/53/79/38/1037537938.db2.gz XMRUEEDZPYQLKG-DRZSPHRISA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cs1 ZINC000300271778 1037537951 /nfs/dbraw/zinc/53/79/51/1037537951.db2.gz XMRUEEDZPYQLKG-DRZSPHRISA-N 2 1 329.307 3.788 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000573533266 1037576940 /nfs/dbraw/zinc/57/69/40/1037576940.db2.gz BXDDYEDXKHTTHD-UHFFFAOYSA-N 2 1 338.470 3.590 20 0 EHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540171485 1037639858 /nfs/dbraw/zinc/63/98/58/1037639858.db2.gz YNIOXFLCFMICMX-SVFBPWRDSA-N 2 1 332.532 3.795 20 0 EHADMP C[C@H]1CSCC[NH+]1Cc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000532578635 1037691871 /nfs/dbraw/zinc/69/18/71/1037691871.db2.gz MFESCNVUZGXHIJ-HOTGVXAUSA-N 2 1 336.570 3.561 20 0 EHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415952701 1037722540 /nfs/dbraw/zinc/72/25/40/1037722540.db2.gz KBNVDBVOORKXDB-SFHVURJKSA-N 2 1 346.519 3.572 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928620 1037726567 /nfs/dbraw/zinc/72/65/67/1037726567.db2.gz VCIATHOVPGOMNL-XJKSGUPXSA-N 2 1 337.305 3.676 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078219 1037743180 /nfs/dbraw/zinc/74/31/80/1037743180.db2.gz ODCISYGFXMRUCJ-YLJYHZDGSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078219 1037743199 /nfs/dbraw/zinc/74/31/99/1037743199.db2.gz ODCISYGFXMRUCJ-YLJYHZDGSA-N 2 1 342.458 3.847 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c2C1 ZINC000573688240 1037743517 /nfs/dbraw/zinc/74/35/17/1037743517.db2.gz QZKZXZUMPVMXDX-HNAYVOBHSA-N 2 1 331.504 3.606 20 0 EHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463110107 1037764040 /nfs/dbraw/zinc/76/40/40/1037764040.db2.gz MARBMGXJMXEBKN-QGZVFWFLSA-N 2 1 349.485 3.647 20 0 EHADMP CCCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463110107 1037764057 /nfs/dbraw/zinc/76/40/57/1037764057.db2.gz MARBMGXJMXEBKN-QGZVFWFLSA-N 2 1 349.485 3.647 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540323849 1037815355 /nfs/dbraw/zinc/81/53/55/1037815355.db2.gz FIPDENWPGVRJPY-MRXNPFEDSA-N 2 1 336.439 3.516 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000183154512 1037931753 /nfs/dbraw/zinc/93/17/53/1037931753.db2.gz JRFRNPMXERBVDI-WWNPGLIZSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1ccc(COc2ccc(C[NH2+][C@H]3CCc4[nH]cnc4C3)cc2)cc1 ZINC000573966011 1037955955 /nfs/dbraw/zinc/95/59/55/1037955955.db2.gz MGOFDAACVRNBBB-IBGZPJMESA-N 2 1 347.462 3.944 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000540507989 1038030690 /nfs/dbraw/zinc/03/06/90/1038030690.db2.gz PJOVNYKRNCLSTI-UHFFFAOYSA-N 2 1 328.504 3.517 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CCN1C ZINC000123660309 1038053445 /nfs/dbraw/zinc/05/34/45/1038053445.db2.gz XAFXIKVQIVJQRV-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123660309 1038053462 /nfs/dbraw/zinc/05/34/62/1038053462.db2.gz XAFXIKVQIVJQRV-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123660309 1038053485 /nfs/dbraw/zinc/05/34/85/1038053485.db2.gz XAFXIKVQIVJQRV-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123660309 1038053506 /nfs/dbraw/zinc/05/35/06/1038053506.db2.gz XAFXIKVQIVJQRV-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123660309 1038053528 /nfs/dbraw/zinc/05/35/28/1038053528.db2.gz XAFXIKVQIVJQRV-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123660309 1038053551 /nfs/dbraw/zinc/05/35/51/1038053551.db2.gz XAFXIKVQIVJQRV-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123660309 1038053573 /nfs/dbraw/zinc/05/35/73/1038053573.db2.gz XAFXIKVQIVJQRV-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125128452 1038283126 /nfs/dbraw/zinc/28/31/26/1038283126.db2.gz CMHASOYEASGFHG-NRFANRHFSA-N 2 1 341.499 3.695 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000125128452 1038283136 /nfs/dbraw/zinc/28/31/36/1038283136.db2.gz CMHASOYEASGFHG-NRFANRHFSA-N 2 1 341.499 3.695 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000538718487 1038489681 /nfs/dbraw/zinc/48/96/81/1038489681.db2.gz WFACPAIELZRPKU-XJKSGUPXSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000538718487 1038489690 /nfs/dbraw/zinc/48/96/90/1038489690.db2.gz WFACPAIELZRPKU-XJKSGUPXSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000538718487 1038489695 /nfs/dbraw/zinc/48/96/95/1038489695.db2.gz WFACPAIELZRPKU-XJKSGUPXSA-N 2 1 330.394 3.747 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000538718484 1038490104 /nfs/dbraw/zinc/49/01/04/1038490104.db2.gz WFACPAIELZRPKU-BBRMVZONSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000538718484 1038490109 /nfs/dbraw/zinc/49/01/09/1038490109.db2.gz WFACPAIELZRPKU-BBRMVZONSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000538718484 1038490115 /nfs/dbraw/zinc/49/01/15/1038490115.db2.gz WFACPAIELZRPKU-BBRMVZONSA-N 2 1 330.394 3.747 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722951 1038492000 /nfs/dbraw/zinc/49/20/00/1038492000.db2.gz BTUAFQJKIJJOEY-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722951 1038492005 /nfs/dbraw/zinc/49/20/05/1038492005.db2.gz BTUAFQJKIJJOEY-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722951 1038492009 /nfs/dbraw/zinc/49/20/09/1038492009.db2.gz BTUAFQJKIJJOEY-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722951 1038492013 /nfs/dbraw/zinc/49/20/13/1038492013.db2.gz BTUAFQJKIJJOEY-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@H](C)C1 ZINC000538737923 1038502207 /nfs/dbraw/zinc/50/22/07/1038502207.db2.gz LDGRKXLQKMJMOM-IEBWSBKVSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@H](C)C1 ZINC000538737923 1038502212 /nfs/dbraw/zinc/50/22/12/1038502212.db2.gz LDGRKXLQKMJMOM-IEBWSBKVSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@H](C)C1 ZINC000538737923 1038502217 /nfs/dbraw/zinc/50/22/17/1038502217.db2.gz LDGRKXLQKMJMOM-IEBWSBKVSA-N 2 1 348.531 3.892 20 0 EHADMP c1nc2ccccc2n1-c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000010352552 1038515128 /nfs/dbraw/zinc/51/51/28/1038515128.db2.gz VRTZDKYPKUMGOW-UHFFFAOYSA-N 2 1 346.478 3.742 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2nccn2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000893224311 1038575199 /nfs/dbraw/zinc/57/51/99/1038575199.db2.gz CJISGVGUFVKQHS-HKUYNNGSSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)n1 ZINC000659993564 1038648162 /nfs/dbraw/zinc/64/81/62/1038648162.db2.gz PIJIRIRCHZZBFL-UWJYYQICSA-N 2 1 338.499 3.578 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1)CC(C)C ZINC000539099610 1038684648 /nfs/dbraw/zinc/68/46/48/1038684648.db2.gz KCJTUMQKBQDGRU-QFIPXVFZSA-N 2 1 346.559 3.670 20 0 EHADMP C[C@H]1CCCCN1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552033744 1038700133 /nfs/dbraw/zinc/70/01/33/1038700133.db2.gz QEHWSICLKDLDLS-KPQWGBOZSA-N 2 1 343.559 3.894 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000539162097 1038710702 /nfs/dbraw/zinc/71/07/02/1038710702.db2.gz TYDMUFAANUCMIL-OAQYLSRUSA-N 2 1 347.522 3.593 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000898440567 1039032351 /nfs/dbraw/zinc/03/23/51/1039032351.db2.gz SLOUEJXZCWCUOV-IEBWSBKVSA-N 2 1 348.556 3.541 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000898440567 1039032372 /nfs/dbraw/zinc/03/23/72/1039032372.db2.gz SLOUEJXZCWCUOV-IEBWSBKVSA-N 2 1 348.556 3.541 20 0 EHADMP CO[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1(C)C ZINC000552244491 1039110515 /nfs/dbraw/zinc/11/05/15/1039110515.db2.gz BYYXJTFPTTWNDR-GUMHCPJTSA-N 2 1 330.516 3.833 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000552252332 1039130309 /nfs/dbraw/zinc/13/03/09/1039130309.db2.gz IXPIEYQTBMCAAX-UHFFFAOYSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000480094121 1039145028 /nfs/dbraw/zinc/14/50/28/1039145028.db2.gz OTXYEFAGPBFJFA-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)cc1F)Cc1ccccc12 ZINC001279211127 1039149908 /nfs/dbraw/zinc/14/99/08/1039149908.db2.gz WTCQWWZPCPHAHX-UHFFFAOYSA-N 2 1 342.433 3.944 20 0 EHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(F)cc1F)Cc1ccccc12 ZINC001279211127 1039149914 /nfs/dbraw/zinc/14/99/14/1039149914.db2.gz WTCQWWZPCPHAHX-UHFFFAOYSA-N 2 1 342.433 3.944 20 0 EHADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000432790366 1039199033 /nfs/dbraw/zinc/19/90/33/1039199033.db2.gz WGAUNMKCWLIBQV-SFHVURJKSA-N 2 1 341.543 3.982 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000660119180 1039224680 /nfs/dbraw/zinc/22/46/80/1039224680.db2.gz YSXIYSNJZQVDLU-IWTFSIHTSA-N 2 1 342.527 3.754 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000236721125 1039244123 /nfs/dbraw/zinc/24/41/23/1039244123.db2.gz KIHFHKCLHIEVLL-NVXWUHKLSA-N 2 1 329.488 3.504 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311164314 1039284990 /nfs/dbraw/zinc/28/49/90/1039284990.db2.gz ZKAVVVFBHIMGHO-SFHVURJKSA-N 2 1 342.458 3.836 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311164314 1039285001 /nfs/dbraw/zinc/28/50/01/1039285001.db2.gz ZKAVVVFBHIMGHO-SFHVURJKSA-N 2 1 342.458 3.836 20 0 EHADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554372535 1039286152 /nfs/dbraw/zinc/28/61/52/1039286152.db2.gz NNCGPGONIMCPFU-ZRSRNVLSSA-N 2 1 334.454 3.920 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@H]3CCCC[NH2+]3)nc2)c1 ZINC000906159069 1039328952 /nfs/dbraw/zinc/32/89/52/1039328952.db2.gz QKKHQASKQWWPOU-OXJNMPFZSA-N 2 1 336.483 3.943 20 0 EHADMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000629500538 1039379299 /nfs/dbraw/zinc/37/92/99/1039379299.db2.gz DZISKJVSSHIDGW-BBRMVZONSA-N 2 1 337.305 3.627 20 0 EHADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000629500541 1039389455 /nfs/dbraw/zinc/38/94/55/1039389455.db2.gz DZISKJVSSHIDGW-XJKSGUPXSA-N 2 1 337.305 3.627 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(C2CC2)no1 ZINC000660166149 1039497006 /nfs/dbraw/zinc/49/70/06/1039497006.db2.gz KIFUAXDZNGEJHJ-UHFFFAOYSA-N 2 1 340.471 3.686 20 0 EHADMP CCc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000667707388 1039756115 /nfs/dbraw/zinc/75/61/15/1039756115.db2.gz YPKCWMBJGXPDGI-MISYRCLQSA-N 2 1 342.483 3.679 20 0 EHADMP CCc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000667707388 1039756131 /nfs/dbraw/zinc/75/61/31/1039756131.db2.gz YPKCWMBJGXPDGI-MISYRCLQSA-N 2 1 342.483 3.679 20 0 EHADMP Cc1[nH]nc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000894016809 1039982411 /nfs/dbraw/zinc/98/24/11/1039982411.db2.gz ASEVQUFVRPEXLP-NRFANRHFSA-N 2 1 338.499 3.515 20 0 EHADMP Cc1[nH]nc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000894016809 1039982426 /nfs/dbraw/zinc/98/24/26/1039982426.db2.gz ASEVQUFVRPEXLP-NRFANRHFSA-N 2 1 338.499 3.515 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000894036894 1040012731 /nfs/dbraw/zinc/01/27/31/1040012731.db2.gz AQQWCAIYDONOAF-GOSISDBHSA-N 2 1 325.456 3.790 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000894036894 1040012746 /nfs/dbraw/zinc/01/27/46/1040012746.db2.gz AQQWCAIYDONOAF-GOSISDBHSA-N 2 1 325.456 3.790 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558455 1040028277 /nfs/dbraw/zinc/02/82/77/1040028277.db2.gz KOCYJMGAQQDPGM-GMXVVIOVSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558455 1040028295 /nfs/dbraw/zinc/02/82/95/1040028295.db2.gz KOCYJMGAQQDPGM-GMXVVIOVSA-N 2 1 329.257 3.722 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000480828648 1040056684 /nfs/dbraw/zinc/05/66/84/1040056684.db2.gz PBCYMWKMOWESMI-ICSRJNTNSA-N 2 1 332.532 3.691 20 0 EHADMP CC(C)(C[NH2+]Cc1ccc(Br)s1)C[NH+]1CCCC1 ZINC000480916841 1040163812 /nfs/dbraw/zinc/16/38/12/1040163812.db2.gz WQJWFFKJXCZUMG-UHFFFAOYSA-N 2 1 331.323 3.722 20 0 EHADMP Cc1ccn2c(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cnc2c1 ZINC000486530273 1040218435 /nfs/dbraw/zinc/21/84/35/1040218435.db2.gz CWLJCLWULYYSKU-UYAOXDASSA-N 2 1 348.494 3.643 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000486550800 1040249470 /nfs/dbraw/zinc/24/94/70/1040249470.db2.gz QVVNIBAGLQVEST-NMIHRBCNSA-N 2 1 344.543 3.938 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540297 1040331828 /nfs/dbraw/zinc/33/18/28/1040331828.db2.gz HHIGUQMOIFSOOD-STQMWFEESA-N 2 1 348.288 3.557 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166540297 1040331835 /nfs/dbraw/zinc/33/18/35/1040331835.db2.gz HHIGUQMOIFSOOD-STQMWFEESA-N 2 1 348.288 3.557 20 0 EHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1ccc(Br)c(Cl)c1)CC2 ZINC001222215464 1040462369 /nfs/dbraw/zinc/46/23/69/1040462369.db2.gz FCVZZIHPBSKARH-UHFFFAOYSA-N 2 1 343.696 3.806 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000490338176 1040499654 /nfs/dbraw/zinc/49/96/54/1040499654.db2.gz CTSIVYYGZFETSL-UHFFFAOYSA-N 2 1 336.495 3.705 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924855558 1040674069 /nfs/dbraw/zinc/67/40/69/1040674069.db2.gz WQEBAEBDMBYTGQ-DENIHFKCSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282907704 1040785609 /nfs/dbraw/zinc/78/56/09/1040785609.db2.gz XDNGHIMVBVGATM-JBACZVJFSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1C(F)(F)F ZINC000668787150 1041005694 /nfs/dbraw/zinc/00/56/94/1041005694.db2.gz OIFAPGNCJCQBMH-MRXNPFEDSA-N 2 1 344.421 3.556 20 0 EHADMP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1C(F)(F)F ZINC000668787150 1041005706 /nfs/dbraw/zinc/00/57/06/1041005706.db2.gz OIFAPGNCJCQBMH-MRXNPFEDSA-N 2 1 344.421 3.556 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnn2ccccc12 ZINC000390565915 1041015419 /nfs/dbraw/zinc/01/54/19/1041015419.db2.gz NNOSSCLUHQVRKS-OAQYLSRUSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnn2ccccc12 ZINC000390565915 1041015435 /nfs/dbraw/zinc/01/54/35/1041015435.db2.gz NNOSSCLUHQVRKS-OAQYLSRUSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000390565915 1041015444 /nfs/dbraw/zinc/01/54/44/1041015444.db2.gz NNOSSCLUHQVRKS-OAQYLSRUSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000390565915 1041015457 /nfs/dbraw/zinc/01/54/57/1041015457.db2.gz NNOSSCLUHQVRKS-OAQYLSRUSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnn2ccccc12 ZINC000390565913 1041016752 /nfs/dbraw/zinc/01/67/52/1041016752.db2.gz NNOSSCLUHQVRKS-NRFANRHFSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnn2ccccc12 ZINC000390565913 1041016764 /nfs/dbraw/zinc/01/67/64/1041016764.db2.gz NNOSSCLUHQVRKS-NRFANRHFSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000390565913 1041016781 /nfs/dbraw/zinc/01/67/81/1041016781.db2.gz NNOSSCLUHQVRKS-NRFANRHFSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000390565913 1041016801 /nfs/dbraw/zinc/01/68/01/1041016801.db2.gz NNOSSCLUHQVRKS-NRFANRHFSA-N 2 1 348.494 3.725 20 0 EHADMP Brc1cccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157431775 1041114936 /nfs/dbraw/zinc/11/49/36/1041114936.db2.gz UYSFHQVDOBGMJX-XYQBIQKZSA-N 2 1 349.316 3.912 20 0 EHADMP C[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000571294255 1041259449 /nfs/dbraw/zinc/25/94/49/1041259449.db2.gz ICAFVNHJDSYTJO-GBESFXJTSA-N 2 1 330.516 3.611 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC[N@H+]1C ZINC000481725511 1041300330 /nfs/dbraw/zinc/30/03/30/1041300330.db2.gz OSCBGBFUZHEZLX-KKSFZXQISA-N 2 1 336.479 3.861 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC[N@H+]1C ZINC000481725508 1041301054 /nfs/dbraw/zinc/30/10/54/1041301054.db2.gz OSCBGBFUZHEZLX-IIBYNOLFSA-N 2 1 336.479 3.861 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000481731725 1041306173 /nfs/dbraw/zinc/30/61/73/1041306173.db2.gz DADBBDSIEWBAKB-FXAWDEMLSA-N 2 1 348.494 3.514 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651646568 1041844379 /nfs/dbraw/zinc/84/43/79/1041844379.db2.gz ITVZNQXLNZJFIY-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP COc1ccc([C@H]([NH2+]CCCc2c[nH+]cn2C)c2ccccc2)cc1 ZINC000661208839 1042008107 /nfs/dbraw/zinc/00/81/07/1042008107.db2.gz YMDBATNVFOTLST-OAQYLSRUSA-N 2 1 335.451 3.741 20 0 EHADMP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc4cnccc4o3)C2)n2c1CCCC2 ZINC000651794641 1042040135 /nfs/dbraw/zinc/04/01/35/1042040135.db2.gz OYWODLXVQFORGU-OAHLLOKOSA-N 2 1 336.439 3.740 20 0 EHADMP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc4cnccc4o3)C2)n2c1CCCC2 ZINC000651794641 1042040142 /nfs/dbraw/zinc/04/01/42/1042040142.db2.gz OYWODLXVQFORGU-OAHLLOKOSA-N 2 1 336.439 3.740 20 0 EHADMP c1ccc2oc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)nc2c1 ZINC000045806758 1042141266 /nfs/dbraw/zinc/14/12/66/1042141266.db2.gz SQQQAPYHKYRNDY-UHFFFAOYSA-N 2 1 327.472 3.916 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652208333 1042271391 /nfs/dbraw/zinc/27/13/91/1042271391.db2.gz BDZYOOVPSQARID-LAUBAEHRSA-N 2 1 339.483 3.501 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccccc1Br ZINC001207534177 1042315965 /nfs/dbraw/zinc/31/59/65/1042315965.db2.gz QGXBIZJARCVEEZ-UHFFFAOYSA-N 2 1 327.310 3.655 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2Cc4ccccc4C2)C3)cc1 ZINC000248879211 1042529643 /nfs/dbraw/zinc/52/96/43/1042529643.db2.gz KFGDXSFJQGOPQI-WBDAEOGXSA-N 2 1 332.491 3.939 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000662201503 1042587307 /nfs/dbraw/zinc/58/73/07/1042587307.db2.gz MGFGKCBGIOYTEL-OAQYLSRUSA-N 2 1 335.580 3.695 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278860984 1042623774 /nfs/dbraw/zinc/62/37/74/1042623774.db2.gz WILNMTPAPVFKGD-CUUWFGFTSA-N 2 1 342.527 3.975 20 0 EHADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cc2ccccc2o1 ZINC000662254426 1042638168 /nfs/dbraw/zinc/63/81/68/1042638168.db2.gz QOKXOLJAXMMQCY-WBVHZDCISA-N 2 1 328.456 3.727 20 0 EHADMP CC(CC[NH+](C)CC1=CCSC1)CC[N@@H+](C)CC1=CCSC1 ZINC000662266346 1042643671 /nfs/dbraw/zinc/64/36/71/1042643671.db2.gz HNLLTVGAPFXOEV-UHFFFAOYSA-N 2 1 340.602 3.613 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OCC ZINC000278863075 1042660923 /nfs/dbraw/zinc/66/09/23/1042660923.db2.gz BAKHWDJVMBVAKS-CVEARBPZSA-N 2 1 343.471 3.594 20 0 EHADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000662293124 1042663454 /nfs/dbraw/zinc/66/34/54/1042663454.db2.gz JZVPLDZKDDZBGM-CYBMUJFWSA-N 2 1 347.450 3.682 20 0 EHADMP Clc1cnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293794 1042663507 /nfs/dbraw/zinc/66/35/07/1042663507.db2.gz NVDUKGHSGXVMEQ-ZDUSSCGKSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293794 1042663509 /nfs/dbraw/zinc/66/35/09/1042663509.db2.gz NVDUKGHSGXVMEQ-ZDUSSCGKSA-N 2 1 328.287 3.600 20 0 EHADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298434 1042665903 /nfs/dbraw/zinc/66/59/03/1042665903.db2.gz WCBKQCOQUYPCSA-YJBOKZPZSA-N 2 1 340.471 3.509 20 0 EHADMP Cc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321764 1042684820 /nfs/dbraw/zinc/68/48/20/1042684820.db2.gz PIQQTLAZHWWYOB-IBGZPJMESA-N 2 1 326.484 3.691 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000663344317 1042730719 /nfs/dbraw/zinc/73/07/19/1042730719.db2.gz FQHYBKSITBQANS-JGBTYHIZSA-N 2 1 342.527 3.714 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000663344317 1042730724 /nfs/dbraw/zinc/73/07/24/1042730724.db2.gz FQHYBKSITBQANS-JGBTYHIZSA-N 2 1 342.527 3.714 20 0 EHADMP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345052 1042731894 /nfs/dbraw/zinc/73/18/94/1042731894.db2.gz GGTGFZCZFJGZSS-INIZCTEOSA-N 2 1 327.447 3.586 20 0 EHADMP COc1ccc2oc([C@H](C)[NH2+]CCCn3cc[nH+]c3C)c(C)c2c1 ZINC000165634445 1042865492 /nfs/dbraw/zinc/86/54/92/1042865492.db2.gz KFTCQFDFLHZEPK-AWEZNQCLSA-N 2 1 327.428 3.996 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470282 1042898476 /nfs/dbraw/zinc/89/84/76/1042898476.db2.gz UJUISZCVBDRENG-JSGCOSHPSA-N 2 1 326.406 3.877 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000663470282 1042898481 /nfs/dbraw/zinc/89/84/81/1042898481.db2.gz UJUISZCVBDRENG-JSGCOSHPSA-N 2 1 326.406 3.877 20 0 EHADMP Cc1ccc(CN(Cc2cccc(CN3CCOCC3)c2)C2CC2)o1 ZINC000643249759 1042962109 /nfs/dbraw/zinc/96/21/09/1042962109.db2.gz SYXWCDDFAKLQTL-UHFFFAOYSA-N 2 1 340.467 3.585 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001167834584 1043023937 /nfs/dbraw/zinc/02/39/37/1043023937.db2.gz KVUVWVXWIFIHEW-MJGOQNOKSA-N 2 1 331.504 3.600 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C)(c3ccccc3)CC2)CCCO1 ZINC000432413690 1043121100 /nfs/dbraw/zinc/12/11/00/1043121100.db2.gz OCHOIMDTWMYPJT-JSRJAPPDSA-N 2 1 344.543 3.977 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C)(c3ccccc3)CC2)CCCO1 ZINC000432413690 1043121105 /nfs/dbraw/zinc/12/11/05/1043121105.db2.gz OCHOIMDTWMYPJT-JSRJAPPDSA-N 2 1 344.543 3.977 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000432426376 1043177484 /nfs/dbraw/zinc/17/74/84/1043177484.db2.gz ZPOLMSSOJZMQMX-KGLIPLIRSA-N 2 1 328.859 3.631 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000279015510 1043193173 /nfs/dbraw/zinc/19/31/73/1043193173.db2.gz UDVOMPAWYRFZBP-HZPDHXFCSA-N 2 1 327.472 3.974 20 0 EHADMP COc1ccccc1[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000279047332 1043254214 /nfs/dbraw/zinc/25/42/14/1043254214.db2.gz XSDGPOJRRRKANV-IERDGZPVSA-N 2 1 339.483 3.975 20 0 EHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000344169637 1043368304 /nfs/dbraw/zinc/36/83/04/1043368304.db2.gz LYCQHCGWZMQGBH-HNNXBMFYSA-N 2 1 340.240 3.834 20 0 EHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000344194880 1043407071 /nfs/dbraw/zinc/40/70/71/1043407071.db2.gz CCAUZZMXLAPWBL-HKUYNNGSSA-N 2 1 343.515 3.587 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374538 1043946127 /nfs/dbraw/zinc/94/61/27/1043946127.db2.gz IHJCGUKIXRSGHI-QWHCGFSZSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374538 1043946138 /nfs/dbraw/zinc/94/61/38/1043946138.db2.gz IHJCGUKIXRSGHI-QWHCGFSZSA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374538 1043946144 /nfs/dbraw/zinc/94/61/44/1043946144.db2.gz IHJCGUKIXRSGHI-QWHCGFSZSA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374538 1043946153 /nfs/dbraw/zinc/94/61/53/1043946153.db2.gz IHJCGUKIXRSGHI-QWHCGFSZSA-N 2 1 347.450 3.826 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(=O)OCC)c2ccccc2)CC1 ZINC000512272758 1044493224 /nfs/dbraw/zinc/49/32/24/1044493224.db2.gz UUHJVZHODVWBPU-FQEVSTJZSA-N 2 1 346.515 3.735 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OCC)c2ccccc2)CC1 ZINC000512272758 1044493230 /nfs/dbraw/zinc/49/32/30/1044493230.db2.gz UUHJVZHODVWBPU-FQEVSTJZSA-N 2 1 346.515 3.735 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122851097 1044517195 /nfs/dbraw/zinc/51/71/95/1044517195.db2.gz PPVRPXQZYCZSPH-CQSZACIVSA-N 2 1 338.442 3.826 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)[C@H](C)C1 ZINC000169186511 1126722601 /nfs/dbraw/zinc/72/26/01/1126722601.db2.gz PHIPBQJXSJRERI-IAGOWNOFSA-N 2 1 338.561 3.752 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192167456 1126777036 /nfs/dbraw/zinc/77/70/36/1126777036.db2.gz MOZLOZSBLGAVFY-LBPRGKRZSA-N 2 1 331.685 3.534 20 0 EHADMP C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000671301323 1126889384 /nfs/dbraw/zinc/88/93/84/1126889384.db2.gz FSJPJNCABOGSQD-DYESRHJHSA-N 2 1 348.494 3.606 20 0 EHADMP C[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1(C)C ZINC000623413252 1126948010 /nfs/dbraw/zinc/94/80/10/1126948010.db2.gz PVCXJLGEBZVIGX-UDEWTMQYSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(C)C ZINC000623413252 1126948013 /nfs/dbraw/zinc/94/80/13/1126948013.db2.gz PVCXJLGEBZVIGX-UDEWTMQYSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1(C)C ZINC000623413252 1126948015 /nfs/dbraw/zinc/94/80/15/1126948015.db2.gz PVCXJLGEBZVIGX-UDEWTMQYSA-N 3 1 341.543 3.644 20 0 EHADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623423968 1126951640 /nfs/dbraw/zinc/95/16/40/1126951640.db2.gz YUKRTAFONIGUQF-QZTJIDSGSA-N 2 1 333.495 3.565 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707176 1126990224 /nfs/dbraw/zinc/99/02/24/1126990224.db2.gz HELASYOJDSSJNO-ALKREAHSSA-N 2 1 336.907 3.616 20 0 EHADMP Cc1ccc(-c2ncc(CNC[C@@H]3CCCC[N@H+](C)C3)s2)cc1 ZINC000623656569 1127005519 /nfs/dbraw/zinc/00/55/19/1127005519.db2.gz XNOSRGKJMUCKLZ-INIZCTEOSA-N 2 1 329.513 3.940 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)s2)cc1 ZINC000623656569 1127005524 /nfs/dbraw/zinc/00/55/24/1127005524.db2.gz XNOSRGKJMUCKLZ-INIZCTEOSA-N 2 1 329.513 3.940 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)s2)cc1 ZINC000623656569 1127005527 /nfs/dbraw/zinc/00/55/27/1127005527.db2.gz XNOSRGKJMUCKLZ-INIZCTEOSA-N 2 1 329.513 3.940 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000921505607 1127112122 /nfs/dbraw/zinc/11/21/22/1127112122.db2.gz ZYIJRMHIQYBBMF-UHFFFAOYSA-N 2 1 332.879 3.511 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2C)C1 ZINC000623866938 1127206554 /nfs/dbraw/zinc/20/65/54/1127206554.db2.gz KICVBEINMNVQHI-KBPBESRZSA-N 2 1 325.294 3.750 20 0 EHADMP Cc1cccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C(C)C)c1 ZINC000623893421 1127207823 /nfs/dbraw/zinc/20/78/23/1127207823.db2.gz PXOPLAOJRJPNPR-SFTDATJTSA-N 2 1 330.516 3.925 20 0 EHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCCO1 ZINC000623906534 1127212509 /nfs/dbraw/zinc/21/25/09/1127212509.db2.gz ZAWXQLAQVXFHPW-QIYLELGZSA-N 2 1 330.516 3.690 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000624019481 1127234717 /nfs/dbraw/zinc/23/47/17/1127234717.db2.gz ROXDFIGKIINSDS-AEFFLSMTSA-N 2 1 334.504 3.692 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123690 1127256611 /nfs/dbraw/zinc/25/66/11/1127256611.db2.gz QQLRMGTZYGFSTJ-HLIPFELVSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[NH+](C)C2)CC1 ZINC000624123737 1127257091 /nfs/dbraw/zinc/25/70/91/1127257091.db2.gz RTILRNKFPXTFEA-ITAUSPCMSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624123737 1127257093 /nfs/dbraw/zinc/25/70/93/1127257093.db2.gz RTILRNKFPXTFEA-ITAUSPCMSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624123737 1127257095 /nfs/dbraw/zinc/25/70/95/1127257095.db2.gz RTILRNKFPXTFEA-ITAUSPCMSA-N 3 1 343.559 3.751 20 0 EHADMP COC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121088 1127255839 /nfs/dbraw/zinc/25/58/39/1127255839.db2.gz NVROTCJZXQNMIX-WMLDXEAASA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121088 1127255841 /nfs/dbraw/zinc/25/58/41/1127255841.db2.gz NVROTCJZXQNMIX-WMLDXEAASA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121088 1127255843 /nfs/dbraw/zinc/25/58/43/1127255843.db2.gz NVROTCJZXQNMIX-WMLDXEAASA-N 2 1 344.421 3.714 20 0 EHADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120639 1127255874 /nfs/dbraw/zinc/25/58/74/1127255874.db2.gz DAUSHINFHNETMY-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1sccc1Br ZINC000624120639 1127255876 /nfs/dbraw/zinc/25/58/76/1127255876.db2.gz DAUSHINFHNETMY-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120639 1127255880 /nfs/dbraw/zinc/25/58/80/1127255880.db2.gz DAUSHINFHNETMY-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000624223916 1127321675 /nfs/dbraw/zinc/32/16/75/1127321675.db2.gz HOVFNFIKOKMHSE-WIYBCGNWSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000366366955 1127398153 /nfs/dbraw/zinc/39/81/53/1127398153.db2.gz RGAZRHFSJFMYEK-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000366366955 1127398158 /nfs/dbraw/zinc/39/81/58/1127398158.db2.gz RGAZRHFSJFMYEK-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000184510919 1127407076 /nfs/dbraw/zinc/40/70/76/1127407076.db2.gz NSRFOMXZRNZVNM-CABCVRRESA-N 2 1 339.549 3.556 20 0 EHADMP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663845 1127429400 /nfs/dbraw/zinc/42/94/00/1127429400.db2.gz ISHAPCCFRARFIS-SJORKVTESA-N 2 1 334.479 3.837 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000383438992 1127542493 /nfs/dbraw/zinc/54/24/93/1127542493.db2.gz DFWGBNSNDBOLBL-OJAHFUOMSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000921514215 1127617282 /nfs/dbraw/zinc/61/72/82/1127617282.db2.gz WVHVYCLGOGSRPE-UHFFFAOYSA-N 2 1 329.875 3.929 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cncc(F)c1 ZINC000386325554 1127662520 /nfs/dbraw/zinc/66/25/20/1127662520.db2.gz LKCXZECLAQYZCH-YHEJVBIMSA-N 2 1 339.458 3.782 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)C2)c1 ZINC000921630604 1127901092 /nfs/dbraw/zinc/90/10/92/1127901092.db2.gz SUEIQQARDHVICU-AKHDSKFASA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)C2)c1 ZINC000921630604 1127901095 /nfs/dbraw/zinc/90/10/95/1127901095.db2.gz SUEIQQARDHVICU-AKHDSKFASA-N 2 1 348.556 3.755 20 0 EHADMP CN(C)c1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000671723589 1128132273 /nfs/dbraw/zinc/13/22/73/1128132273.db2.gz XGGLXCJEFUQXSM-QHCPKHFHSA-N 2 1 349.522 3.851 20 0 EHADMP CN(C)c1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000671723589 1128132274 /nfs/dbraw/zinc/13/22/74/1128132274.db2.gz XGGLXCJEFUQXSM-QHCPKHFHSA-N 2 1 349.522 3.851 20 0 EHADMP CCCCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000069754170 1128291555 /nfs/dbraw/zinc/29/15/55/1128291555.db2.gz JATFPTKOCOSDPC-UHFFFAOYSA-N 2 1 331.460 3.559 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000623657797 1128452658 /nfs/dbraw/zinc/45/26/58/1128452658.db2.gz ZFNWWTAHLLEWQW-CQSZACIVSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000623657797 1128452659 /nfs/dbraw/zinc/45/26/59/1128452659.db2.gz ZFNWWTAHLLEWQW-CQSZACIVSA-N 2 1 348.384 3.588 20 0 EHADMP Cc1ncsc1CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000172574938 1128630942 /nfs/dbraw/zinc/63/09/42/1128630942.db2.gz OETGYHXMCFHGQP-APWZRJJASA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574938 1128630944 /nfs/dbraw/zinc/63/09/44/1128630944.db2.gz OETGYHXMCFHGQP-APWZRJJASA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574938 1128630945 /nfs/dbraw/zinc/63/09/45/1128630945.db2.gz OETGYHXMCFHGQP-APWZRJJASA-N 2 1 343.540 3.979 20 0 EHADMP [NH3+]CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2C(F)(F)F)CC1 ZINC001205041182 1128770382 /nfs/dbraw/zinc/77/03/82/1128770382.db2.gz OABGGGOAAUKEBJ-UHFFFAOYSA-N 2 1 340.311 3.895 20 0 EHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCCC[C@@H]1O ZINC001168675256 1128786330 /nfs/dbraw/zinc/78/63/30/1128786330.db2.gz DAIJAJLKYXOURC-RTWAWAEBSA-N 2 1 330.516 3.655 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465177 1120532447 /nfs/dbraw/zinc/53/24/47/1120532447.db2.gz AOCTZTUQJGVYKJ-DLBZAZTESA-N 2 1 346.437 3.693 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465177 1120532449 /nfs/dbraw/zinc/53/24/49/1120532449.db2.gz AOCTZTUQJGVYKJ-DLBZAZTESA-N 2 1 346.437 3.693 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494557288 1120594100 /nfs/dbraw/zinc/59/41/00/1120594100.db2.gz KGURCHALUQJEIV-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494557288 1120594104 /nfs/dbraw/zinc/59/41/04/1120594104.db2.gz KGURCHALUQJEIV-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)o1 ZINC000495186362 1120982881 /nfs/dbraw/zinc/98/28/81/1120982881.db2.gz XHIKAYQYFGRJKQ-BEFAXECRSA-N 2 1 328.431 3.920 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000356668208 1128987821 /nfs/dbraw/zinc/98/78/21/1128987821.db2.gz CPKCLKXMJHVJPY-INIZCTEOSA-N 2 1 334.261 3.621 20 0 EHADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)cc(F)cc1Br ZINC001235717428 1121667706 /nfs/dbraw/zinc/66/77/06/1121667706.db2.gz FNCFTBDNBGQFCR-UHFFFAOYSA-N 2 1 347.247 3.549 20 0 EHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)cc(F)cc1Br ZINC001235717428 1121667710 /nfs/dbraw/zinc/66/77/10/1121667710.db2.gz FNCFTBDNBGQFCR-UHFFFAOYSA-N 2 1 347.247 3.549 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000282127245 1121859848 /nfs/dbraw/zinc/85/98/48/1121859848.db2.gz JWVOQTXWZDTRAZ-AEFFLSMTSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000282127245 1121859857 /nfs/dbraw/zinc/85/98/57/1121859857.db2.gz JWVOQTXWZDTRAZ-AEFFLSMTSA-N 2 1 340.515 3.954 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000398010457 1121959593 /nfs/dbraw/zinc/95/95/93/1121959593.db2.gz COUZMVFWVVDMTA-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398134442 1121972110 /nfs/dbraw/zinc/97/21/10/1121972110.db2.gz KNOGTSRSOWTLEX-YPVJZLTNSA-N 2 1 335.495 3.631 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763414312 1122232375 /nfs/dbraw/zinc/23/23/75/1122232375.db2.gz IRWAMBMBFCCGLU-JYBIWHBTSA-N 2 1 342.483 3.734 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763414312 1122232379 /nfs/dbraw/zinc/23/23/79/1122232379.db2.gz IRWAMBMBFCCGLU-JYBIWHBTSA-N 2 1 342.483 3.734 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125858870 1122349810 /nfs/dbraw/zinc/34/98/10/1122349810.db2.gz YOVHVGRZYHJLMG-MJGOQNOKSA-N 2 1 340.515 3.952 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)[nH+]1 ZINC000497385027 1122539598 /nfs/dbraw/zinc/53/95/98/1122539598.db2.gz LKSQXMVBJQKAFN-YZGWKJHDSA-N 2 1 343.515 3.544 20 0 EHADMP C[NH+](C)C1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000194511092 1122705446 /nfs/dbraw/zinc/70/54/46/1122705446.db2.gz HEDYBTWBEMYGBW-UHFFFAOYSA-N 2 1 344.421 3.890 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000556052646 1122794697 /nfs/dbraw/zinc/79/46/97/1122794697.db2.gz JTOVSGUIAFMKPP-NRSPTQNISA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556052646 1122794700 /nfs/dbraw/zinc/79/47/00/1122794700.db2.gz JTOVSGUIAFMKPP-NRSPTQNISA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556052646 1122794705 /nfs/dbraw/zinc/79/47/05/1122794705.db2.gz JTOVSGUIAFMKPP-NRSPTQNISA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000556052641 1122794915 /nfs/dbraw/zinc/79/49/15/1122794915.db2.gz JTOVSGUIAFMKPP-GIVPXCGWSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556052641 1122794918 /nfs/dbraw/zinc/79/49/18/1122794918.db2.gz JTOVSGUIAFMKPP-GIVPXCGWSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556052641 1122794920 /nfs/dbraw/zinc/79/49/20/1122794920.db2.gz JTOVSGUIAFMKPP-GIVPXCGWSA-N 2 1 329.532 3.676 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1Br ZINC000130651510 1122980830 /nfs/dbraw/zinc/98/08/30/1122980830.db2.gz GRULHWBJJXKYAL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000130651510 1122980834 /nfs/dbraw/zinc/98/08/34/1122980834.db2.gz GRULHWBJJXKYAL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000130651510 1122980837 /nfs/dbraw/zinc/98/08/37/1122980837.db2.gz GRULHWBJJXKYAL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000130651510 1122980840 /nfs/dbraw/zinc/98/08/40/1122980840.db2.gz GRULHWBJJXKYAL-UKRRQHHQSA-N 2 1 325.294 3.672 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000556868149 1123159212 /nfs/dbraw/zinc/15/92/12/1123159212.db2.gz HWVOZESTEHZTPL-JAGQXMJZSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000556868149 1123159214 /nfs/dbraw/zinc/15/92/14/1123159214.db2.gz HWVOZESTEHZTPL-JAGQXMJZSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000556868149 1123159217 /nfs/dbraw/zinc/15/92/17/1123159217.db2.gz HWVOZESTEHZTPL-JAGQXMJZSA-N 2 1 328.500 3.652 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)[C@H]1c1cccs1 ZINC000556872525 1123162123 /nfs/dbraw/zinc/16/21/23/1123162123.db2.gz YWFJZWAVLNSYBB-VBRUWADQSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H]2CCC[C@H]21 ZINC000556872525 1123162125 /nfs/dbraw/zinc/16/21/25/1123162125.db2.gz YWFJZWAVLNSYBB-VBRUWADQSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H]2CCC[C@H]21 ZINC000556872525 1123162127 /nfs/dbraw/zinc/16/21/27/1123162127.db2.gz YWFJZWAVLNSYBB-VBRUWADQSA-N 2 1 347.572 3.593 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321200 1123218356 /nfs/dbraw/zinc/21/83/56/1123218356.db2.gz SIGGRSMNFFJECA-MDZRGWNJSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321200 1123218358 /nfs/dbraw/zinc/21/83/58/1123218358.db2.gz SIGGRSMNFFJECA-MDZRGWNJSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCC1 ZINC000132579563 1123251715 /nfs/dbraw/zinc/25/17/15/1123251715.db2.gz JXBHUVJILVYROY-CJNGLKHVSA-N 2 1 341.421 3.799 20 0 EHADMP CO[C@]1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000499253698 1123312025 /nfs/dbraw/zinc/31/20/25/1123312025.db2.gz SMTCUQJHTOXUHJ-OUUKCGNVSA-N 2 1 342.527 3.975 20 0 EHADMP CCc1ccc(C[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)o1 ZINC000133538266 1123400500 /nfs/dbraw/zinc/40/05/00/1123400500.db2.gz FBRODTUHYKVVPM-UHFFFAOYSA-N 2 1 347.528 3.863 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3ccccc32)C[C@H](C)O1 ZINC000237608577 1123528419 /nfs/dbraw/zinc/52/84/19/1123528419.db2.gz LFJNRMDVRULNQZ-HDICACEKSA-N 2 1 326.484 3.819 20 0 EHADMP CCCC[C@@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245712755 1123934244 /nfs/dbraw/zinc/93/42/44/1123934244.db2.gz NLHVCMQGOLQYJX-BURNTYAHSA-N 2 1 330.516 3.977 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000245858972 1123963810 /nfs/dbraw/zinc/96/38/10/1123963810.db2.gz HPRNVWSKAZJRAQ-AQNXPRMDSA-N 2 1 330.516 3.820 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246485182 1124482164 /nfs/dbraw/zinc/48/21/64/1124482164.db2.gz RNNXIYPBLUFQHK-ZHALLVOQSA-N 2 1 346.515 3.749 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246485182 1124482167 /nfs/dbraw/zinc/48/21/67/1124482167.db2.gz RNNXIYPBLUFQHK-ZHALLVOQSA-N 2 1 346.515 3.749 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000246956827 1124571362 /nfs/dbraw/zinc/57/13/62/1124571362.db2.gz IQAXIOHVEUTGLK-HZSPNIEDSA-N 2 1 330.925 3.942 20 0 EHADMP CCn1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000247184520 1124593508 /nfs/dbraw/zinc/59/35/08/1124593508.db2.gz UCNXAECFAHNPAN-IIMDRIAPSA-N 2 1 340.515 3.710 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247199087 1124594353 /nfs/dbraw/zinc/59/43/53/1124594353.db2.gz WEFXZJZOWPCFBW-MGPQQGTHSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247199087 1124594357 /nfs/dbraw/zinc/59/43/57/1124594357.db2.gz WEFXZJZOWPCFBW-MGPQQGTHSA-N 2 1 330.394 3.545 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2cccc(Br)c2)C1 ZINC000247921359 1124629444 /nfs/dbraw/zinc/62/94/44/1124629444.db2.gz BFXVDKKHAXBAJY-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP C([NH+]1CCC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)COC1 ZINC000248436987 1124662931 /nfs/dbraw/zinc/66/29/31/1124662931.db2.gz SKKXQJYPEVADEB-YRPNKDGESA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)COC1 ZINC000248436987 1124662935 /nfs/dbraw/zinc/66/29/35/1124662935.db2.gz SKKXQJYPEVADEB-YRPNKDGESA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@@H]32)COC1 ZINC000248436987 1124662938 /nfs/dbraw/zinc/66/29/38/1124662938.db2.gz SKKXQJYPEVADEB-YRPNKDGESA-N 2 1 332.532 3.532 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248458236 1124665279 /nfs/dbraw/zinc/66/52/79/1124665279.db2.gz UONHYPAYWJGBOT-XMSQKQJNSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(Cl)c1 ZINC000248714289 1124691794 /nfs/dbraw/zinc/69/17/94/1124691794.db2.gz RANKECINJFSQDZ-APHBMKBZSA-N 2 1 342.936 3.820 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(C)(C)C)cc1 ZINC000248943860 1124720735 /nfs/dbraw/zinc/72/07/35/1124720735.db2.gz ZBSIRJQGVSERSC-HKUYNNGSSA-N 2 1 348.531 3.751 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(C)c2)[C@@H](C)C1 ZINC000248962883 1124722582 /nfs/dbraw/zinc/72/25/82/1124722582.db2.gz GTEKMIWNQMJMTG-FPOVZHCZSA-N 2 1 332.532 3.654 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccnn1C ZINC000249033778 1124727851 /nfs/dbraw/zinc/72/78/51/1124727851.db2.gz RVTVLZVYAJDBGZ-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP COCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336833 1125227634 /nfs/dbraw/zinc/22/76/34/1125227634.db2.gz CDCQZFFCRPUTQF-JOCHJYFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000093336833 1125227637 /nfs/dbraw/zinc/22/76/37/1125227637.db2.gz CDCQZFFCRPUTQF-JOCHJYFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000093336833 1125227642 /nfs/dbraw/zinc/22/76/42/1125227642.db2.gz CDCQZFFCRPUTQF-JOCHJYFZSA-N 2 1 338.495 3.787 20 0 EHADMP CCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000093639399 1125279988 /nfs/dbraw/zinc/27/99/88/1125279988.db2.gz ZDQMLOQBMRWWKX-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000093639399 1125279992 /nfs/dbraw/zinc/27/99/92/1125279992.db2.gz ZDQMLOQBMRWWKX-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000093639399 1125279996 /nfs/dbraw/zinc/27/99/96/1125279996.db2.gz ZDQMLOQBMRWWKX-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000262299566 1125418221 /nfs/dbraw/zinc/41/82/21/1125418221.db2.gz OKVLXGKWHDUWRN-UHFFFAOYSA-N 2 1 332.822 3.763 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168703019 1129183993 /nfs/dbraw/zinc/18/39/93/1129183993.db2.gz XTONWZCXQDGKTG-QGZVFWFLSA-N 2 1 341.886 3.769 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000543079695 1129192869 /nfs/dbraw/zinc/19/28/69/1129192869.db2.gz LSKKCIQLSZWKIY-UHFFFAOYSA-N 2 1 336.907 3.827 20 0 EHADMP CC[N@H+](CCC[NH2+]Cc1cccc(C(=O)N(C)C)c1)C1CCCCC1 ZINC000922216082 1129368340 /nfs/dbraw/zinc/36/83/40/1129368340.db2.gz MMODFUDQDTZNAI-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP CC[N@@H+](CCC[NH2+]Cc1cccc(C(=O)N(C)C)c1)C1CCCCC1 ZINC000922216082 1129368342 /nfs/dbraw/zinc/36/83/42/1129368342.db2.gz MMODFUDQDTZNAI-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1cc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC000282348580 1129449086 /nfs/dbraw/zinc/44/90/86/1129449086.db2.gz VQECFROBYZKZIO-OHSMVPPVSA-N 2 1 338.499 3.575 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000673602706 1129610063 /nfs/dbraw/zinc/61/00/63/1129610063.db2.gz NBCLRGHCNSBWEM-JMSVASOKSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000673602706 1129610068 /nfs/dbraw/zinc/61/00/68/1129610068.db2.gz NBCLRGHCNSBWEM-JMSVASOKSA-N 2 1 343.284 3.592 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](CC/C=C/c3ccc(Br)cc3)C2)C1 ZINC000428996045 1129681074 /nfs/dbraw/zinc/68/10/74/1129681074.db2.gz AQMZBSCVNQPJQH-ROVVAWJSSA-N 2 1 349.316 3.880 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](CC/C=C/c3ccc(Br)cc3)C2)C1 ZINC000428996045 1129681075 /nfs/dbraw/zinc/68/10/75/1129681075.db2.gz AQMZBSCVNQPJQH-ROVVAWJSSA-N 2 1 349.316 3.880 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000429006888 1129691063 /nfs/dbraw/zinc/69/10/63/1129691063.db2.gz UOIYXLJMZAKTKQ-OAQYLSRUSA-N 2 1 330.516 3.781 20 0 EHADMP C[C@@H]1C[C@@H](NCc2n[nH]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335832 1130067185 /nfs/dbraw/zinc/06/71/85/1130067185.db2.gz RRWTWPNDRUSLGJ-AEFFLSMTSA-N 2 1 334.467 3.706 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H](C)c1ccccc1 ZINC000658143646 1130196041 /nfs/dbraw/zinc/19/60/41/1130196041.db2.gz ZQSKHIKFHLMDAS-FGSXEWAUSA-N 2 1 338.495 3.535 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3c(C4CCC4)cnn3C)CC2)C1 ZINC000658269184 1130329088 /nfs/dbraw/zinc/32/90/88/1130329088.db2.gz TXACINLDPKYUMG-QFBILLFUSA-N 2 1 344.547 3.820 20 0 EHADMP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000174265352 1130346203 /nfs/dbraw/zinc/34/62/03/1130346203.db2.gz CZZGUKYYCQPMJM-SFHVURJKSA-N 2 1 336.479 3.936 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310851041 1130412416 /nfs/dbraw/zinc/41/24/16/1130412416.db2.gz PPYHJEUODDAVGW-CEWLAPEOSA-N 2 1 342.527 3.978 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000675732627 1130464023 /nfs/dbraw/zinc/46/40/23/1130464023.db2.gz ATGIHPGWAWMQEQ-UNMCSNQZSA-N 2 1 346.559 3.963 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752539 1130465339 /nfs/dbraw/zinc/46/53/39/1130465339.db2.gz YIXNONCEBWVYTI-KBRIMQKVSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000675881431 1130500158 /nfs/dbraw/zinc/50/01/58/1130500158.db2.gz LGAJAYSZMCYFET-BLIXFSHQSA-N 2 1 328.500 3.858 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccncc1 ZINC000675928041 1130508992 /nfs/dbraw/zinc/50/89/92/1130508992.db2.gz QPTPDCQXGLGAMM-QGZVFWFLSA-N 2 1 341.474 3.621 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)CC[N@H+]1C ZINC000167473021 1130626945 /nfs/dbraw/zinc/62/69/45/1130626945.db2.gz BLVZDRCTSICLBC-MAUKXSAKSA-N 2 1 334.467 3.802 20 0 EHADMP Cc1cccc(-n2ccn(C[NH+]3CCC(C[NH+](C)C)CC3)c2=S)c1 ZINC000738077339 1131460344 /nfs/dbraw/zinc/46/03/44/1131460344.db2.gz TZHLXFMAPSVSEC-UHFFFAOYSA-N 2 1 344.528 3.548 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172455217 1131749724 /nfs/dbraw/zinc/74/97/24/1131749724.db2.gz RJRLPHLYPCBCLP-QGZVFWFLSA-N 2 1 336.495 3.926 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172455217 1131749733 /nfs/dbraw/zinc/74/97/33/1131749733.db2.gz RJRLPHLYPCBCLP-QGZVFWFLSA-N 2 1 336.495 3.926 20 0 EHADMP Cc1cccc(N([C@@H]2Cc3ccc(Cl)cc3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001172723165 1131824263 /nfs/dbraw/zinc/82/42/63/1131824263.db2.gz PSQSTWKCWXBMOA-LJQANCHMSA-N 2 1 341.886 3.769 20 0 EHADMP CCCOC1CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173094251 1131951906 /nfs/dbraw/zinc/95/19/06/1131951906.db2.gz IDWRMHDTTXIFIM-GOHCJOFJSA-N 2 1 345.531 3.891 20 0 EHADMP CCCOC1CCC(N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001173102315 1131966401 /nfs/dbraw/zinc/96/64/01/1131966401.db2.gz KYJAESYNAAHSKI-UHFFFAOYSA-N 2 1 331.504 3.686 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001173274197 1132026313 /nfs/dbraw/zinc/02/63/13/1132026313.db2.gz DBLZIZMATONCEQ-GUDVDZBRSA-N 2 1 346.515 3.914 20 0 EHADMP CCSC[C@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001173299996 1132032546 /nfs/dbraw/zinc/03/25/46/1132032546.db2.gz VAYCVVXBXILISD-JQBKDIKQSA-N 2 1 338.520 3.705 20 0 EHADMP CCSC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001173306180 1132036143 /nfs/dbraw/zinc/03/61/43/1132036143.db2.gz MMBZZQNIXWPPSN-QGZVFWFLSA-N 2 1 333.545 3.511 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001173438238 1132069092 /nfs/dbraw/zinc/06/90/92/1132069092.db2.gz ZEWIMNPIMXJIGC-NLWGTHIKSA-N 2 1 346.515 3.751 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001173438238 1132069100 /nfs/dbraw/zinc/06/91/00/1132069100.db2.gz ZEWIMNPIMXJIGC-NLWGTHIKSA-N 2 1 346.515 3.751 20 0 EHADMP C[NH+](C)CC[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001173475577 1132074487 /nfs/dbraw/zinc/07/44/87/1132074487.db2.gz ODIKEDARQXCLNO-FQEVSTJZSA-N 2 1 330.422 3.715 20 0 EHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632410 1132109904 /nfs/dbraw/zinc/10/99/04/1132109904.db2.gz LZTYPPOKLINFRB-RWQQGDIJSA-N 2 1 336.520 3.623 20 0 EHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632626 1132110434 /nfs/dbraw/zinc/11/04/34/1132110434.db2.gz IBAVTHVLHXJEJX-BRSBDYLESA-N 2 1 338.536 3.726 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001169099703 1132655639 /nfs/dbraw/zinc/65/56/39/1132655639.db2.gz DXSVHUPJQFROJL-OSYLJGHBSA-N 2 1 326.406 3.853 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3Cl)CCOCC1)C2 ZINC001169120232 1132663046 /nfs/dbraw/zinc/66/30/46/1132663046.db2.gz ZUYOTMZNNXDMQB-NNZMDNLPSA-N 2 1 348.918 3.647 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3Cl)CCOCC1)C2 ZINC001169120231 1132663999 /nfs/dbraw/zinc/66/39/99/1132663999.db2.gz ZUYOTMZNNXDMQB-BCDXTJNWSA-N 2 1 348.918 3.647 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(Br)ccc3C1)C2 ZINC001169107491 1132669712 /nfs/dbraw/zinc/66/97/12/1132669712.db2.gz HZWYCRABNSUZJW-TVFCKZIOSA-N 2 1 349.316 3.521 20 0 EHADMP CC1(C)C[C@H](Nc2cc(N)cc(C(F)(F)F)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169143754 1132675236 /nfs/dbraw/zinc/67/52/36/1132675236.db2.gz QOEGZQSUHQEDCB-NHYWBVRUSA-N 2 1 330.398 3.638 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146123 1132675409 /nfs/dbraw/zinc/67/54/09/1132675409.db2.gz OVXLWMBRZNDFOW-SFNKJDCFSA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146123 1132675415 /nfs/dbraw/zinc/67/54/15/1132675415.db2.gz OVXLWMBRZNDFOW-SFNKJDCFSA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146123 1132675418 /nfs/dbraw/zinc/67/54/18/1132675418.db2.gz OVXLWMBRZNDFOW-SFNKJDCFSA-N 2 1 334.891 3.808 20 0 EHADMP CCOc1ccc(NC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169152700 1132678509 /nfs/dbraw/zinc/67/85/09/1132678509.db2.gz CUMFXGHKMHNERH-PMOLBWCYSA-N 2 1 343.515 3.587 20 0 EHADMP Cc1cc([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1N1CCOCC1 ZINC001169151320 1132679218 /nfs/dbraw/zinc/67/92/18/1132679218.db2.gz ILYBZTQSXXLTHZ-NQIIRXRSSA-N 2 1 345.531 3.787 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]31)C2 ZINC001169154711 1132680264 /nfs/dbraw/zinc/68/02/64/1132680264.db2.gz SQBJEUYMDRLNPA-SVMUCYCZSA-N 2 1 348.531 3.586 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]31)C2 ZINC001169154711 1132680268 /nfs/dbraw/zinc/68/02/68/1132680268.db2.gz SQBJEUYMDRLNPA-SVMUCYCZSA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]31)C2 ZINC001169154711 1132680272 /nfs/dbraw/zinc/68/02/72/1132680272.db2.gz SQBJEUYMDRLNPA-SVMUCYCZSA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]31)C2 ZINC001169154711 1132680274 /nfs/dbraw/zinc/68/02/74/1132680274.db2.gz SQBJEUYMDRLNPA-SVMUCYCZSA-N 2 1 348.531 3.586 20 0 EHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169163468 1132684564 /nfs/dbraw/zinc/68/45/64/1132684564.db2.gz ZQQMRUJBLUBOGM-FVQHAEBGSA-N 2 1 326.406 3.805 20 0 EHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169163468 1132684567 /nfs/dbraw/zinc/68/45/67/1132684567.db2.gz ZQQMRUJBLUBOGM-FVQHAEBGSA-N 2 1 326.406 3.805 20 0 EHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169163468 1132684569 /nfs/dbraw/zinc/68/45/69/1132684569.db2.gz ZQQMRUJBLUBOGM-FVQHAEBGSA-N 2 1 326.406 3.805 20 0 EHADMP CC[NH+]1CCC([NH2+]C(C)(C)c2cccc(Br)c2)CC1 ZINC001169233369 1132703219 /nfs/dbraw/zinc/70/32/19/1132703219.db2.gz OHOLSQMTWLEHRE-UHFFFAOYSA-N 2 1 325.294 3.758 20 0 EHADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222711 1133042104 /nfs/dbraw/zinc/04/21/04/1133042104.db2.gz MOFCEEFJFNEHBN-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222711 1133042110 /nfs/dbraw/zinc/04/21/10/1133042110.db2.gz MOFCEEFJFNEHBN-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP COc1nsc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1Cl ZINC001177299181 1133048657 /nfs/dbraw/zinc/04/86/57/1133048657.db2.gz LMZCMHDNIDLRFU-LBPRGKRZSA-N 2 1 331.913 3.549 20 0 EHADMP C[C@@H]1CCc2nc(C[NH2+]CCCC[N@@H+]3CCC[C@@H](C)C3)sc2C1 ZINC001177299501 1133048796 /nfs/dbraw/zinc/04/87/96/1133048796.db2.gz STIKMMNKRFBSLR-HZPDHXFCSA-N 2 1 335.561 3.870 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC001177267679 1133050356 /nfs/dbraw/zinc/05/03/56/1133050356.db2.gz LISGNCZJQBAMMI-DENIHFKCSA-N 2 1 343.559 3.883 20 0 EHADMP c1cc(-c2ncc(C[NH2+]C3CC[NH+](CC4CC4)CC3)s2)cs1 ZINC001177333678 1133055962 /nfs/dbraw/zinc/05/59/62/1133055962.db2.gz DXXIDMMLUNSETG-UHFFFAOYSA-N 2 1 333.526 3.836 20 0 EHADMP Cc1cccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c1Br ZINC001177744125 1133098833 /nfs/dbraw/zinc/09/88/33/1133098833.db2.gz RSCBSJWPXSYGII-OAHLLOKOSA-N 2 1 339.321 3.968 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC001177795762 1133103482 /nfs/dbraw/zinc/10/34/82/1133103482.db2.gz XVNYLJVDGCTHCV-AWEZNQCLSA-N 2 1 334.410 3.873 20 0 EHADMP C[N@@H+]1CCC[C@H](CNCc2c[nH]nc2C(C)(C)C)[C@@H]1c1cccs1 ZINC001177913415 1133112035 /nfs/dbraw/zinc/11/20/35/1133112035.db2.gz ZEXDIEAIFJCDJY-RHSMWYFYSA-N 2 1 346.544 3.941 20 0 EHADMP C[N@H+]1CCC[C@H](CNCc2c[nH]nc2C(C)(C)C)[C@@H]1c1cccs1 ZINC001177913415 1133112038 /nfs/dbraw/zinc/11/20/38/1133112038.db2.gz ZEXDIEAIFJCDJY-RHSMWYFYSA-N 2 1 346.544 3.941 20 0 EHADMP C[N@@H+]1CCC[C@@H](CNCc2c[nH]nc2C(C)(C)C)[C@H]1c1cccs1 ZINC001177913417 1133112086 /nfs/dbraw/zinc/11/20/86/1133112086.db2.gz ZEXDIEAIFJCDJY-YOEHRIQHSA-N 2 1 346.544 3.941 20 0 EHADMP C[N@H+]1CCC[C@@H](CNCc2c[nH]nc2C(C)(C)C)[C@H]1c1cccs1 ZINC001177913417 1133112087 /nfs/dbraw/zinc/11/20/87/1133112087.db2.gz ZEXDIEAIFJCDJY-YOEHRIQHSA-N 2 1 346.544 3.941 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500831 1133146348 /nfs/dbraw/zinc/14/63/48/1133146348.db2.gz GAAVWBPPNQOXTN-NVXWUHKLSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500831 1133146350 /nfs/dbraw/zinc/14/63/50/1133146350.db2.gz GAAVWBPPNQOXTN-NVXWUHKLSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500831 1133146351 /nfs/dbraw/zinc/14/63/51/1133146351.db2.gz GAAVWBPPNQOXTN-NVXWUHKLSA-N 2 1 327.497 3.744 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001178449011 1133166000 /nfs/dbraw/zinc/16/60/00/1133166000.db2.gz ICHQTEIUGJPCFP-UHFFFAOYSA-N 2 1 344.478 3.531 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(OC(F)F)c2)cc1 ZINC000769103057 1133232403 /nfs/dbraw/zinc/23/24/03/1133232403.db2.gz VFUVMVYSXBGLSY-UHFFFAOYSA-N 2 1 334.410 3.982 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000769499860 1133302513 /nfs/dbraw/zinc/30/25/13/1133302513.db2.gz RSFHODBNKHBJGV-FQEVSTJZSA-N 2 1 341.543 3.985 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000769499860 1133302516 /nfs/dbraw/zinc/30/25/16/1133302516.db2.gz RSFHODBNKHBJGV-FQEVSTJZSA-N 2 1 341.543 3.985 20 0 EHADMP CC1(C)CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001180310239 1133354945 /nfs/dbraw/zinc/35/49/45/1133354945.db2.gz BGFNNEVDOJFBCY-UXHICEINSA-N 2 1 330.516 3.702 20 0 EHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC001204268303 1133370403 /nfs/dbraw/zinc/37/04/03/1133370403.db2.gz IAOHSAZEBAMYBK-UHFFFAOYSA-N 2 1 330.497 3.637 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001183238975 1133782070 /nfs/dbraw/zinc/78/20/70/1133782070.db2.gz QTJVRVKYWJHTDL-IBGZPJMESA-N 2 1 344.499 3.748 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001183238975 1133782075 /nfs/dbraw/zinc/78/20/75/1133782075.db2.gz QTJVRVKYWJHTDL-IBGZPJMESA-N 2 1 344.499 3.748 20 0 EHADMP COCC[N@@H+](C/C=C\c1cc(C)c(C)cc1C)CC1CC[NH+](C)CC1 ZINC001183256362 1133786209 /nfs/dbraw/zinc/78/62/09/1133786209.db2.gz LGCBPRIODJGWOY-SREVYHEPSA-N 2 1 344.543 3.915 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205319050 1134012869 /nfs/dbraw/zinc/01/28/69/1134012869.db2.gz XZOJBHMVDBQZMJ-ZFWWWQNUSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205319050 1134012875 /nfs/dbraw/zinc/01/28/75/1134012875.db2.gz XZOJBHMVDBQZMJ-ZFWWWQNUSA-N 2 1 339.321 3.989 20 0 EHADMP Cc1cc(Br)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000774913211 1134119466 /nfs/dbraw/zinc/11/94/66/1134119466.db2.gz RFUGWEPDNXVJQI-DOTOQJQBSA-N 2 1 337.305 3.674 20 0 EHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788633486 1134154504 /nfs/dbraw/zinc/15/45/04/1134154504.db2.gz UVLRFGFPYJZLMO-WOYCLPQFSA-N 2 1 339.483 3.594 20 0 EHADMP CC[C@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001170206681 1134706018 /nfs/dbraw/zinc/70/60/18/1134706018.db2.gz ADBWLKKCMUJXGE-ROUUACIJSA-N 2 1 348.556 3.994 20 0 EHADMP CC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170234539 1134716626 /nfs/dbraw/zinc/71/66/26/1134716626.db2.gz ITRONZDTHBQABN-NHCUHLMSSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226924 1134723326 /nfs/dbraw/zinc/72/33/26/1134723326.db2.gz LXRPFSGBTQOXCP-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226924 1134723330 /nfs/dbraw/zinc/72/33/30/1134723330.db2.gz LXRPFSGBTQOXCP-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226924 1134723336 /nfs/dbraw/zinc/72/33/36/1134723336.db2.gz LXRPFSGBTQOXCP-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001190818759 1134754582 /nfs/dbraw/zinc/75/45/82/1134754582.db2.gz NYTWETUAWUEDFR-UHFFFAOYSA-N 2 1 340.414 3.560 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170423505 1134831482 /nfs/dbraw/zinc/83/14/82/1134831482.db2.gz FNYIXKMVSJGKFJ-BZSNNMDCSA-N 2 1 332.488 3.717 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000793206280 1134882567 /nfs/dbraw/zinc/88/25/67/1134882567.db2.gz DPWIECFMJWWSTH-QGZVFWFLSA-N 2 1 329.875 3.655 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cn1 ZINC000775492903 1134946973 /nfs/dbraw/zinc/94/69/73/1134946973.db2.gz QKHSFPJXGOCXKP-LBPRGKRZSA-N 2 1 326.366 3.786 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1Br ZINC001205592826 1135002059 /nfs/dbraw/zinc/00/20/59/1135002059.db2.gz ZGPIBTQTKFMOTG-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1Br ZINC001205592826 1135002065 /nfs/dbraw/zinc/00/20/65/1135002065.db2.gz ZGPIBTQTKFMOTG-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1Br ZINC001205617543 1135085151 /nfs/dbraw/zinc/08/51/51/1135085151.db2.gz KOQNODQQXPDCEJ-IUODEOHRSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205629463 1135133690 /nfs/dbraw/zinc/13/36/90/1135133690.db2.gz ZBOXEEIIIVTHJN-AAEUAGOBSA-N 2 1 345.712 3.909 20 0 EHADMP C[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC(C)(C)C1 ZINC001194042018 1135220250 /nfs/dbraw/zinc/22/02/50/1135220250.db2.gz JIBNFCANDRLTPH-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C12CCC2 ZINC001194385641 1135262846 /nfs/dbraw/zinc/26/28/46/1135262846.db2.gz ROFLUBCXVYQZAS-RTBURBONSA-N 2 1 325.456 3.570 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000102423217 1135551377 /nfs/dbraw/zinc/55/13/77/1135551377.db2.gz NISQULVSGIWBFB-GFCCVEGCSA-N 2 1 341.282 3.701 20 0 EHADMP CCO[C@H](C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)C1CC1 ZINC001196961421 1135634988 /nfs/dbraw/zinc/63/49/88/1135634988.db2.gz JDHZBMYBIUISCI-YPAWHYETSA-N 2 1 342.527 3.646 20 0 EHADMP O[C@@H](CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000808717979 1135720685 /nfs/dbraw/zinc/72/06/85/1135720685.db2.gz OLUWOCZECIWKKS-CTNGQTDRSA-N 2 1 330.516 3.698 20 0 EHADMP CC(C)Cc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cn1 ZINC001199237922 1135889209 /nfs/dbraw/zinc/88/92/09/1135889209.db2.gz JOYBAGLZZZPWMP-UHFFFAOYSA-N 2 1 337.511 3.818 20 0 EHADMP CC(C)Cc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC001199237922 1135889212 /nfs/dbraw/zinc/88/92/12/1135889212.db2.gz JOYBAGLZZZPWMP-UHFFFAOYSA-N 2 1 337.511 3.818 20 0 EHADMP CC(C)Cc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC001199237922 1135889216 /nfs/dbraw/zinc/88/92/16/1135889216.db2.gz JOYBAGLZZZPWMP-UHFFFAOYSA-N 2 1 337.511 3.818 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)CC2 ZINC001199335766 1135899114 /nfs/dbraw/zinc/89/91/14/1135899114.db2.gz BYJHNZBYGPFAPQ-FPOVZHCZSA-N 2 1 330.516 3.653 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810177866 1135934343 /nfs/dbraw/zinc/93/43/43/1135934343.db2.gz KCGJHVFVAGODRW-LJQANCHMSA-N 2 1 341.474 3.921 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000810177866 1135934346 /nfs/dbraw/zinc/93/43/46/1135934346.db2.gz KCGJHVFVAGODRW-LJQANCHMSA-N 2 1 341.474 3.921 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606332 1135965058 /nfs/dbraw/zinc/96/50/58/1135965058.db2.gz ZPPQHXWDXTZDOF-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606332 1135965061 /nfs/dbraw/zinc/96/50/61/1135965061.db2.gz ZPPQHXWDXTZDOF-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606332 1135965064 /nfs/dbraw/zinc/96/50/64/1135965064.db2.gz ZPPQHXWDXTZDOF-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001170606332 1135965066 /nfs/dbraw/zinc/96/50/66/1135965066.db2.gz ZPPQHXWDXTZDOF-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](CC4CCCCC4)CC3)C2)c1 ZINC001201390077 1136015883 /nfs/dbraw/zinc/01/58/83/1136015883.db2.gz RDSWGEVSCFSEJO-UHFFFAOYSA-N 2 1 348.556 3.995 20 0 EHADMP CCC(CC)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201525102 1136037778 /nfs/dbraw/zinc/03/77/78/1136037778.db2.gz AGEBTVQWKLJHHJ-UHFFFAOYSA-N 2 1 336.545 3.851 20 0 EHADMP CC(C)(C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001202073831 1136095248 /nfs/dbraw/zinc/09/52/48/1136095248.db2.gz WMSWVMRDVGUAKH-UHFFFAOYSA-N 2 1 336.545 3.851 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850573678 1136289563 /nfs/dbraw/zinc/28/95/63/1136289563.db2.gz PJPSRUIAQGBKIE-RTBURBONSA-N 2 1 336.907 3.614 20 0 EHADMP COC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000813881893 1136372846 /nfs/dbraw/zinc/37/28/46/1136372846.db2.gz XJDAWMIUDXFSEN-OTYNDTSQSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H](CC[NH+](C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173684 1136410782 /nfs/dbraw/zinc/41/07/82/1136410782.db2.gz VTZVQELCAAVICU-LBFURVHYSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC001202487842 1136517619 /nfs/dbraw/zinc/51/76/19/1136517619.db2.gz UZLNIQKPCJDPPP-NRFANRHFSA-N 2 1 342.527 3.710 20 0 EHADMP COC1(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC000429513992 1136637324 /nfs/dbraw/zinc/63/73/24/1136637324.db2.gz GHJWAFIVSZKBRZ-SFHVURJKSA-N 2 1 330.516 3.897 20 0 EHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000338973760 1136698453 /nfs/dbraw/zinc/69/84/53/1136698453.db2.gz RUECQZVILNOBTQ-UHFFFAOYSA-N 2 1 326.488 3.702 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1)CC(C)C ZINC000816611486 1136741212 /nfs/dbraw/zinc/74/12/12/1136741212.db2.gz RDDQPZFQXSBPQW-UHFFFAOYSA-N 2 1 340.943 3.654 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1)CC(C)C ZINC000816611486 1136741215 /nfs/dbraw/zinc/74/12/15/1136741215.db2.gz RDDQPZFQXSBPQW-UHFFFAOYSA-N 2 1 340.943 3.654 20 0 EHADMP Brc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001170853244 1136773005 /nfs/dbraw/zinc/77/30/05/1136773005.db2.gz DWGLKNMIXFFWPJ-KRWDZBQOSA-N 2 1 349.316 3.523 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000856559476 1136795031 /nfs/dbraw/zinc/79/50/31/1136795031.db2.gz ABHXVJSZMFFBFJ-NRFANRHFSA-N 2 1 339.483 3.575 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000856559476 1136795035 /nfs/dbraw/zinc/79/50/35/1136795035.db2.gz ABHXVJSZMFFBFJ-NRFANRHFSA-N 2 1 339.483 3.575 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000856559476 1136795039 /nfs/dbraw/zinc/79/50/39/1136795039.db2.gz ABHXVJSZMFFBFJ-NRFANRHFSA-N 2 1 339.483 3.575 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3C=CCCCCC3)C2)ccn1 ZINC000856584048 1136797292 /nfs/dbraw/zinc/79/72/92/1136797292.db2.gz CPIOEYXPYXDYAS-FPOVZHCZSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)ccn1 ZINC000856584048 1136797294 /nfs/dbraw/zinc/79/72/94/1136797294.db2.gz CPIOEYXPYXDYAS-FPOVZHCZSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)ccn1 ZINC000856584048 1136797298 /nfs/dbraw/zinc/79/72/98/1136797298.db2.gz CPIOEYXPYXDYAS-FPOVZHCZSA-N 2 1 343.515 3.875 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817891153 1136843590 /nfs/dbraw/zinc/84/35/90/1136843590.db2.gz GVSVKUYREDAYTH-PNHOKKKMSA-N 2 1 335.451 3.609 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000818960762 1136891406 /nfs/dbraw/zinc/89/14/06/1136891406.db2.gz JAVUVZWRGAAFEB-NRFANRHFSA-N 2 1 326.484 3.658 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000818959417 1136895508 /nfs/dbraw/zinc/89/55/08/1136895508.db2.gz JQNZAIUTPOPRCV-KBXCAEBGSA-N 2 1 342.886 3.757 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819099784 1136908213 /nfs/dbraw/zinc/90/82/13/1136908213.db2.gz BECFKBVABWBZHX-MRXNPFEDSA-N 2 1 342.270 3.602 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101486 1136908715 /nfs/dbraw/zinc/90/87/15/1136908715.db2.gz VHNKOIKBONGGHF-BJZITVGISA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101486 1136908718 /nfs/dbraw/zinc/90/87/18/1136908718.db2.gz VHNKOIKBONGGHF-BJZITVGISA-N 2 1 348.487 3.593 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000819078285 1136911693 /nfs/dbraw/zinc/91/16/93/1136911693.db2.gz IHQPSLQYNXFONT-AVRDEDQJSA-N 2 1 338.495 3.844 20 0 EHADMP Fc1c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccnc1Cl ZINC000824081304 1137124597 /nfs/dbraw/zinc/12/45/97/1137124597.db2.gz UYJJWPAKOLVICD-UHFFFAOYSA-N 2 1 333.838 3.760 20 0 EHADMP CC[N@@H+](Cc1ccnc(F)c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000862250907 1137135358 /nfs/dbraw/zinc/13/53/58/1137135358.db2.gz WQQMALLQAMVLGB-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP CC[N@H+](Cc1ccnc(F)c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000862250907 1137135359 /nfs/dbraw/zinc/13/53/59/1137135359.db2.gz WQQMALLQAMVLGB-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccnc(F)c1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000862250907 1137135360 /nfs/dbraw/zinc/13/53/60/1137135360.db2.gz WQQMALLQAMVLGB-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccnc(F)c1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000862250907 1137135361 /nfs/dbraw/zinc/13/53/61/1137135361.db2.gz WQQMALLQAMVLGB-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862283565 1137137203 /nfs/dbraw/zinc/13/72/03/1137137203.db2.gz KOZKGPGUKQXONE-KXBFYZLASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862283565 1137137205 /nfs/dbraw/zinc/13/72/05/1137137205.db2.gz KOZKGPGUKQXONE-KXBFYZLASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862353091 1137139608 /nfs/dbraw/zinc/13/96/08/1137139608.db2.gz TUTIZFXHAJBTNC-FQEVSTJZSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862353091 1137139609 /nfs/dbraw/zinc/13/96/09/1137139609.db2.gz TUTIZFXHAJBTNC-FQEVSTJZSA-N 2 1 327.447 3.531 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367768 1137140752 /nfs/dbraw/zinc/14/07/52/1137140752.db2.gz UXAGAZNDUUNOOG-CZUORRHYSA-N 2 1 345.314 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074541 1137167251 /nfs/dbraw/zinc/16/72/51/1137167251.db2.gz TZDXDFQJDXWXCD-HYSWKAIVSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074541 1137167253 /nfs/dbraw/zinc/16/72/53/1137167253.db2.gz TZDXDFQJDXWXCD-HYSWKAIVSA-N 2 1 327.299 3.781 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326737 1137212779 /nfs/dbraw/zinc/21/27/79/1137212779.db2.gz LROJWGMVGCPVKU-PXNSSMCTSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326737 1137212780 /nfs/dbraw/zinc/21/27/80/1137212780.db2.gz LROJWGMVGCPVKU-PXNSSMCTSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326737 1137212781 /nfs/dbraw/zinc/21/27/81/1137212781.db2.gz LROJWGMVGCPVKU-PXNSSMCTSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326737 1137212782 /nfs/dbraw/zinc/21/27/82/1137212782.db2.gz LROJWGMVGCPVKU-PXNSSMCTSA-N 2 1 344.524 3.544 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171140198 1137240307 /nfs/dbraw/zinc/24/03/07/1137240307.db2.gz VQIIOGVPQUUOLF-OAHLLOKOSA-N 2 1 327.299 3.925 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)c1 ZINC000865433558 1137283334 /nfs/dbraw/zinc/28/33/34/1137283334.db2.gz TWYNJPOJTWPGSR-UHFFFAOYSA-N 2 1 339.439 3.663 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)c1 ZINC000865433558 1137283336 /nfs/dbraw/zinc/28/33/36/1137283336.db2.gz TWYNJPOJTWPGSR-UHFFFAOYSA-N 2 1 339.439 3.663 20 0 EHADMP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000865462539 1137286162 /nfs/dbraw/zinc/28/61/62/1137286162.db2.gz NWPLWJHGRWSVIO-HXUWFJFHSA-N 2 1 346.515 3.597 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccnc2C(F)(F)F)CC1 ZINC001144531749 1137306060 /nfs/dbraw/zinc/30/60/60/1137306060.db2.gz XGDACQLAMFGZHG-UHFFFAOYSA-N 2 1 329.410 3.653 20 0 EHADMP c1ccc(C[NH+]2CCC(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000865717970 1137306583 /nfs/dbraw/zinc/30/65/83/1137306583.db2.gz QJRUDUNXFHNLDI-VXKWHMMOSA-N 3 1 341.543 3.505 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000865778781 1137310948 /nfs/dbraw/zinc/31/09/48/1137310948.db2.gz YWPWOBCHIPXZOG-HLAWJBBLSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000865778781 1137310949 /nfs/dbraw/zinc/31/09/49/1137310949.db2.gz YWPWOBCHIPXZOG-HLAWJBBLSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000865778785 1137311022 /nfs/dbraw/zinc/31/10/22/1137311022.db2.gz YWPWOBCHIPXZOG-NRSPTQNISA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000865778785 1137311024 /nfs/dbraw/zinc/31/10/24/1137311024.db2.gz YWPWOBCHIPXZOG-NRSPTQNISA-N 2 1 342.527 3.836 20 0 EHADMP CN1Cc2ccccc2[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865805625 1137312972 /nfs/dbraw/zinc/31/29/72/1137312972.db2.gz HGACIUJKIRVKEU-NRFANRHFSA-N 2 1 327.516 3.560 20 0 EHADMP c1cc2cccc(C[N@@H+]3C[C@H]4CCN(Cc5ccncc5)C[C@H]4C3)c2[nH]1 ZINC001144712605 1137333538 /nfs/dbraw/zinc/33/35/38/1137333538.db2.gz CXOIKXLEEQZFDC-CTNGQTDRSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2cccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2[nH]1 ZINC001144712605 1137333539 /nfs/dbraw/zinc/33/35/39/1137333539.db2.gz CXOIKXLEEQZFDC-CTNGQTDRSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2cccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2[nH]1 ZINC001144712605 1137333540 /nfs/dbraw/zinc/33/35/40/1137333540.db2.gz CXOIKXLEEQZFDC-CTNGQTDRSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2cccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c2[nH]1 ZINC001144712605 1137333541 /nfs/dbraw/zinc/33/35/41/1137333541.db2.gz CXOIKXLEEQZFDC-CTNGQTDRSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2cccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c2[nH]1 ZINC001144712605 1137333542 /nfs/dbraw/zinc/33/35/42/1137333542.db2.gz CXOIKXLEEQZFDC-CTNGQTDRSA-N 2 1 346.478 3.517 20 0 EHADMP CC[N@@H+](CCCCCC[NH3+])CC(=O)Nc1c(Cl)cccc1Cl ZINC000846218485 1137342285 /nfs/dbraw/zinc/34/22/85/1137342285.db2.gz VSHZRVSUPSHGFQ-UHFFFAOYSA-N 2 1 346.302 3.773 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866281244 1137342392 /nfs/dbraw/zinc/34/23/92/1137342392.db2.gz GDOXNEJAGFCPDG-WOIUINJBSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866281244 1137342394 /nfs/dbraw/zinc/34/23/94/1137342394.db2.gz GDOXNEJAGFCPDG-WOIUINJBSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccnn1C ZINC000866612685 1137369103 /nfs/dbraw/zinc/36/91/03/1137369103.db2.gz BGJCTSVAVZWURR-IPJUCJBFSA-N 2 1 326.488 3.514 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702955 1137374656 /nfs/dbraw/zinc/37/46/56/1137374656.db2.gz FMGRSKKVULGSNS-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702955 1137374657 /nfs/dbraw/zinc/37/46/57/1137374657.db2.gz FMGRSKKVULGSNS-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP COc1cccc(-c2nc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)co2)c1 ZINC000866710611 1137375032 /nfs/dbraw/zinc/37/50/32/1137375032.db2.gz ZVURDKFSUDZOID-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP COc1cccc(-c2nc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)co2)c1 ZINC000866710611 1137375033 /nfs/dbraw/zinc/37/50/33/1137375033.db2.gz ZVURDKFSUDZOID-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000866707888 1137375112 /nfs/dbraw/zinc/37/51/12/1137375112.db2.gz PETWMRBOXBWJBJ-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000866707888 1137375113 /nfs/dbraw/zinc/37/51/13/1137375113.db2.gz PETWMRBOXBWJBJ-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171324025 1137420149 /nfs/dbraw/zinc/42/01/49/1137420149.db2.gz XOYTYSPLBGNAKJ-OAHLLOKOSA-N 2 1 336.907 3.622 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171324025 1137420150 /nfs/dbraw/zinc/42/01/50/1137420150.db2.gz XOYTYSPLBGNAKJ-OAHLLOKOSA-N 2 1 336.907 3.622 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000773046525 1137461725 /nfs/dbraw/zinc/46/17/25/1137461725.db2.gz STUUAHSQKBBSLG-SJKOYZFVSA-N 2 1 342.886 3.754 20 0 EHADMP CSC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716626543 1137487847 /nfs/dbraw/zinc/48/78/47/1137487847.db2.gz OKPGJKZWVQTNIK-OTWHNJEPSA-N 2 1 330.541 3.915 20 0 EHADMP Oc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000716650190 1137487978 /nfs/dbraw/zinc/48/79/78/1137487978.db2.gz LZQKGIDOSXMASH-ACRUOGEOSA-N 2 1 336.479 3.577 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c(C)c1 ZINC000716708579 1137488583 /nfs/dbraw/zinc/48/85/83/1137488583.db2.gz RDXGXAMUVDQGSQ-BDTNDASRSA-N 2 1 349.522 3.884 20 0 EHADMP Cn1c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1C(F)(F)F ZINC001171613445 1137500737 /nfs/dbraw/zinc/50/07/37/1137500737.db2.gz JYFILSHNZYYWLT-UHFFFAOYSA-N 2 1 331.426 3.785 20 0 EHADMP Cc1ccc(CC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])cc1 ZINC001171663807 1137502307 /nfs/dbraw/zinc/50/23/07/1137502307.db2.gz ORXUEPHZWXXYMK-GOSISDBHSA-N 3 1 333.564 3.791 20 0 EHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678862 1137503574 /nfs/dbraw/zinc/50/35/74/1137503574.db2.gz HYWMDGSJHCODDC-DENIHFKCSA-N 2 1 344.543 3.891 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171643470 1137505238 /nfs/dbraw/zinc/50/52/38/1137505238.db2.gz USKCCISEMGXZAY-HNNXBMFYSA-N 2 1 338.536 3.692 20 0 EHADMP COc1cccc2c1c(C[NH3+])cn2[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735973 1137510512 /nfs/dbraw/zinc/51/05/12/1137510512.db2.gz ZPGBSCRMMURHNH-LPHOPBHVSA-N 2 1 349.478 3.944 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738438 1137511006 /nfs/dbraw/zinc/51/10/06/1137511006.db2.gz IZTVBHUWFVTNJO-DENIHFKCSA-N 2 1 349.522 3.599 20 0 EHADMP C[C@H]1C[C@H](N2CCC([NH3+])(CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171740706 1137511142 /nfs/dbraw/zinc/51/11/42/1137511142.db2.gz TXPLPVHWHVCCRB-RXVVDRJESA-N 2 1 341.543 3.633 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171965055 1137520325 /nfs/dbraw/zinc/52/03/25/1137520325.db2.gz NTYXZDMCMHDURU-SFHLNBCPSA-N 2 1 330.516 3.713 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171965054 1137520555 /nfs/dbraw/zinc/52/05/55/1137520555.db2.gz NTYXZDMCMHDURU-SBHAEUEKSA-N 2 1 330.516 3.713 20 0 EHADMP C[N@@H+](CC1CCOCC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976214 1137525376 /nfs/dbraw/zinc/52/53/76/1137525376.db2.gz JBPJNNUQVUBCNP-HXUWFJFHSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](CC1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976214 1137525377 /nfs/dbraw/zinc/52/53/77/1137525377.db2.gz JBPJNNUQVUBCNP-HXUWFJFHSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](CC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976214 1137525378 /nfs/dbraw/zinc/52/53/78/1137525378.db2.gz JBPJNNUQVUBCNP-HXUWFJFHSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976714 1137525412 /nfs/dbraw/zinc/52/54/12/1137525412.db2.gz MVUIPBVIABDUKV-LMNJBCLMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976714 1137525413 /nfs/dbraw/zinc/52/54/13/1137525413.db2.gz MVUIPBVIABDUKV-LMNJBCLMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976714 1137525414 /nfs/dbraw/zinc/52/54/14/1137525414.db2.gz MVUIPBVIABDUKV-LMNJBCLMSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@@H](n2nnc3ccc(C[NH3+])cc32)CC[N@H+]1Cc1ccccc1 ZINC001171984298 1137526995 /nfs/dbraw/zinc/52/69/95/1137526995.db2.gz UPJIVWGDVUKCLY-SFHVURJKSA-N 2 1 349.482 3.506 20 0 EHADMP CCN(CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987428 1137527969 /nfs/dbraw/zinc/52/79/69/1137527969.db2.gz VGNUSSJPONACEB-FQEVSTJZSA-N 2 1 331.548 3.703 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988448 1137528168 /nfs/dbraw/zinc/52/81/68/1137528168.db2.gz RPVJZEUVMDTAFT-UXHICEINSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988448 1137528170 /nfs/dbraw/zinc/52/81/70/1137528170.db2.gz RPVJZEUVMDTAFT-UXHICEINSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988448 1137528172 /nfs/dbraw/zinc/52/81/72/1137528172.db2.gz RPVJZEUVMDTAFT-UXHICEINSA-N 2 1 330.516 3.524 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073822 1137529795 /nfs/dbraw/zinc/52/97/95/1137529795.db2.gz CQVIEANVHIMGGX-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073822 1137529796 /nfs/dbraw/zinc/52/97/96/1137529796.db2.gz CQVIEANVHIMGGX-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073822 1137529798 /nfs/dbraw/zinc/52/97/98/1137529798.db2.gz CQVIEANVHIMGGX-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073822 1137529800 /nfs/dbraw/zinc/52/98/00/1137529800.db2.gz CQVIEANVHIMGGX-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001172072077 1137530063 /nfs/dbraw/zinc/53/00/63/1137530063.db2.gz KJMRQPPLGNZITB-MZADTFQBSA-N 2 1 342.527 3.978 20 0 EHADMP COC(CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC001172076821 1137530519 /nfs/dbraw/zinc/53/05/19/1137530519.db2.gz MESWAJNADZHOTD-OWZKRDHZSA-N 2 1 346.515 3.561 20 0 EHADMP CCCC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065123 1137532844 /nfs/dbraw/zinc/53/28/44/1137532844.db2.gz LLYYIIYTOKRCER-MXEMCNAFSA-N 2 1 330.516 3.713 20 0 EHADMP COC[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068793 1137533991 /nfs/dbraw/zinc/53/39/91/1137533991.db2.gz KRXPXKVZCACTCD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068793 1137533992 /nfs/dbraw/zinc/53/39/92/1137533992.db2.gz KRXPXKVZCACTCD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068793 1137533993 /nfs/dbraw/zinc/53/39/93/1137533993.db2.gz KRXPXKVZCACTCD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068793 1137533994 /nfs/dbraw/zinc/53/39/94/1137533994.db2.gz KRXPXKVZCACTCD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117075 1137538100 /nfs/dbraw/zinc/53/81/00/1137538100.db2.gz FZYGDACZXAZKSH-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117075 1137538102 /nfs/dbraw/zinc/53/81/02/1137538102.db2.gz FZYGDACZXAZKSH-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(F)cc3)CC1)C2 ZINC001172123086 1137538964 /nfs/dbraw/zinc/53/89/64/1137538964.db2.gz XOCXXQKNHMSHNP-BCDXTJNWSA-N 2 1 332.463 3.684 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(F)cc3)CC1)C2 ZINC001172123086 1137538965 /nfs/dbraw/zinc/53/89/65/1137538965.db2.gz XOCXXQKNHMSHNP-BCDXTJNWSA-N 2 1 332.463 3.684 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172236598 1137544111 /nfs/dbraw/zinc/54/41/11/1137544111.db2.gz XXPDFZHVNYWABD-LJRDSGNISA-N 2 1 346.902 3.898 20 0 EHADMP COCCCN1CCC([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001172247080 1137544450 /nfs/dbraw/zinc/54/44/50/1137544450.db2.gz CLNIAGHSNHJXKK-UHFFFAOYSA-N 2 1 341.584 3.547 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(CCc3ccccc3)CC2)CC1 ZINC001172253827 1137544663 /nfs/dbraw/zinc/54/46/63/1137544663.db2.gz CILNMXQCZUKRHY-UHFFFAOYSA-N 2 1 344.543 3.832 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC001172293607 1137548324 /nfs/dbraw/zinc/54/83/24/1137548324.db2.gz RSFPVTBBTPERCE-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293607 1137548326 /nfs/dbraw/zinc/54/83/26/1137548326.db2.gz RSFPVTBBTPERCE-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293607 1137548327 /nfs/dbraw/zinc/54/83/27/1137548327.db2.gz RSFPVTBBTPERCE-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C[C@H]1C ZINC001172375804 1137549602 /nfs/dbraw/zinc/54/96/02/1137549602.db2.gz RHZHECJSXQFHKD-GGPKGHCWSA-N 2 1 346.515 3.771 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C[C@H]1C ZINC001172375804 1137549604 /nfs/dbraw/zinc/54/96/04/1137549604.db2.gz RHZHECJSXQFHKD-GGPKGHCWSA-N 2 1 346.515 3.771 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172330457 1137550965 /nfs/dbraw/zinc/55/09/65/1137550965.db2.gz NCOBGGPZXVURRS-SQNIBIBYSA-N 2 1 340.552 3.592 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[C@@H]1C ZINC001172363592 1137554877 /nfs/dbraw/zinc/55/48/77/1137554877.db2.gz LUTSWLSHFLIHKZ-BWPNAZKDSA-N 2 1 346.515 3.642 20 0 EHADMP CC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172403480 1137555470 /nfs/dbraw/zinc/55/54/70/1137555470.db2.gz TVNADUFOOJFIFA-ANULTFPQSA-N 2 1 346.563 3.881 20 0 EHADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172403480 1137555471 /nfs/dbraw/zinc/55/54/71/1137555471.db2.gz TVNADUFOOJFIFA-ANULTFPQSA-N 2 1 346.563 3.881 20 0 EHADMP CC[C@@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172403480 1137555473 /nfs/dbraw/zinc/55/54/73/1137555473.db2.gz TVNADUFOOJFIFA-ANULTFPQSA-N 2 1 346.563 3.881 20 0 EHADMP CC[C@@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172403480 1137555474 /nfs/dbraw/zinc/55/54/74/1137555474.db2.gz TVNADUFOOJFIFA-ANULTFPQSA-N 2 1 346.563 3.881 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@@H]1CCCOC1 ZINC000872027230 1137565987 /nfs/dbraw/zinc/56/59/87/1137565987.db2.gz KIIVHNXXAQGTQM-SJLPKXTDSA-N 2 1 331.435 3.615 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872028344 1137566233 /nfs/dbraw/zinc/56/62/33/1137566233.db2.gz JHEBWGDIBGVQGJ-NJYVYQBISA-N 2 1 330.516 3.693 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872069285 1137569423 /nfs/dbraw/zinc/56/94/23/1137569423.db2.gz OLHTUCMRGIPLIW-PCCBWWKXSA-N 2 1 330.516 3.693 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000872147729 1137573940 /nfs/dbraw/zinc/57/39/40/1137573940.db2.gz KRNAQGABVPVIAV-GXFFZTMASA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000872147729 1137573941 /nfs/dbraw/zinc/57/39/41/1137573941.db2.gz KRNAQGABVPVIAV-GXFFZTMASA-N 2 1 338.826 3.501 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000873289711 1137596638 /nfs/dbraw/zinc/59/66/38/1137596638.db2.gz XBMVPQUYFZJXIG-QRWLVFNGSA-N 2 1 327.447 3.551 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000873289711 1137596639 /nfs/dbraw/zinc/59/66/39/1137596639.db2.gz XBMVPQUYFZJXIG-QRWLVFNGSA-N 2 1 327.447 3.551 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762905 1137660587 /nfs/dbraw/zinc/66/05/87/1137660587.db2.gz BMQGFEQSSUFANP-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762905 1137660588 /nfs/dbraw/zinc/66/05/88/1137660588.db2.gz BMQGFEQSSUFANP-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762905 1137660589 /nfs/dbraw/zinc/66/05/89/1137660589.db2.gz BMQGFEQSSUFANP-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762905 1137660590 /nfs/dbraw/zinc/66/05/90/1137660590.db2.gz BMQGFEQSSUFANP-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762905 1137660591 /nfs/dbraw/zinc/66/05/91/1137660591.db2.gz BMQGFEQSSUFANP-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762905 1137660592 /nfs/dbraw/zinc/66/05/92/1137660592.db2.gz BMQGFEQSSUFANP-QAPCUYQASA-N 2 1 347.503 3.948 20 0 EHADMP CCCC[N@H+](C)c1ccc(NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000876857624 1137663877 /nfs/dbraw/zinc/66/38/77/1137663877.db2.gz GKELYTAGQWIUPS-UHFFFAOYSA-N 2 1 333.520 3.570 20 0 EHADMP CCCC[N@@H+](C)c1ccc(NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000876857624 1137663878 /nfs/dbraw/zinc/66/38/78/1137663878.db2.gz GKELYTAGQWIUPS-UHFFFAOYSA-N 2 1 333.520 3.570 20 0 EHADMP CC1(O)CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877075879 1137669490 /nfs/dbraw/zinc/66/94/90/1137669490.db2.gz QZQXTWSZVURQTA-OHWJTAOLSA-N 2 1 328.500 3.638 20 0 EHADMP CC1(O)CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877075879 1137669491 /nfs/dbraw/zinc/66/94/91/1137669491.db2.gz QZQXTWSZVURQTA-OHWJTAOLSA-N 2 1 328.500 3.638 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CSCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877086672 1137669916 /nfs/dbraw/zinc/66/99/16/1137669916.db2.gz QSIRCWZGMLKWEF-NEWSRXKRSA-N 2 1 348.581 3.793 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CSCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877086672 1137669917 /nfs/dbraw/zinc/66/99/17/1137669917.db2.gz QSIRCWZGMLKWEF-NEWSRXKRSA-N 2 1 348.581 3.793 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000877526781 1137679842 /nfs/dbraw/zinc/67/98/42/1137679842.db2.gz FRFBCSWLYSYVET-UHFFFAOYSA-N 2 1 334.876 3.977 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000877526781 1137679843 /nfs/dbraw/zinc/67/98/43/1137679843.db2.gz FRFBCSWLYSYVET-UHFFFAOYSA-N 2 1 334.876 3.977 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877739619 1137687745 /nfs/dbraw/zinc/68/77/45/1137687745.db2.gz PBOQNTAPJZCXLS-ROUUACIJSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877739619 1137687746 /nfs/dbraw/zinc/68/77/46/1137687746.db2.gz PBOQNTAPJZCXLS-ROUUACIJSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877739619 1137687747 /nfs/dbraw/zinc/68/77/47/1137687747.db2.gz PBOQNTAPJZCXLS-ROUUACIJSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877739619 1137687748 /nfs/dbraw/zinc/68/77/48/1137687748.db2.gz PBOQNTAPJZCXLS-ROUUACIJSA-N 2 1 327.497 3.645 20 0 EHADMP O[C@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000878252562 1137708699 /nfs/dbraw/zinc/70/86/99/1137708699.db2.gz ORLOXEANSJUISC-SWLSCSKDSA-N 2 1 340.254 3.630 20 0 EHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578630 1137751582 /nfs/dbraw/zinc/75/15/82/1137751582.db2.gz UXSVJVKYIOVSQA-AEFFLSMTSA-N 2 1 345.487 3.560 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578630 1137751583 /nfs/dbraw/zinc/75/15/83/1137751583.db2.gz UXSVJVKYIOVSQA-AEFFLSMTSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578630 1137751584 /nfs/dbraw/zinc/75/15/84/1137751584.db2.gz UXSVJVKYIOVSQA-AEFFLSMTSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578630 1137751585 /nfs/dbraw/zinc/75/15/85/1137751585.db2.gz UXSVJVKYIOVSQA-AEFFLSMTSA-N 2 1 345.487 3.560 20 0 EHADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000879951141 1137763094 /nfs/dbraw/zinc/76/30/94/1137763094.db2.gz HYLLTYPMXMNNLL-UHFFFAOYSA-N 2 1 328.500 3.600 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000717136163 1137808558 /nfs/dbraw/zinc/80/85/58/1137808558.db2.gz LOPZLXDFVOCWSD-FQEVSTJZSA-N 2 1 328.500 3.732 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883186511 1137847578 /nfs/dbraw/zinc/84/75/78/1137847578.db2.gz UIDLXPHHIBDSED-MGPUTAFESA-N 2 1 345.462 3.724 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883186510 1137847634 /nfs/dbraw/zinc/84/76/34/1137847634.db2.gz UIDLXPHHIBDSED-FOIQADDNSA-N 2 1 345.462 3.724 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1sccc1Cl ZINC000883190452 1137847832 /nfs/dbraw/zinc/84/78/32/1137847832.db2.gz CSFUJSKNUAVLPJ-CZUORRHYSA-N 2 1 342.936 3.943 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883192863 1137848044 /nfs/dbraw/zinc/84/80/44/1137848044.db2.gz JKTXWOAQKVCLBK-HXUWFJFHSA-N 2 1 345.462 3.868 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357013 1137857373 /nfs/dbraw/zinc/85/73/73/1137857373.db2.gz BAYMQGQKIMVUAV-PMACEKPBSA-N 2 1 340.511 3.875 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357013 1137857374 /nfs/dbraw/zinc/85/73/74/1137857374.db2.gz BAYMQGQKIMVUAV-PMACEKPBSA-N 2 1 340.511 3.875 20 0 EHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000331728760 1137918547 /nfs/dbraw/zinc/91/85/47/1137918547.db2.gz ZWPWUJAMWKTXKP-PBHICJAKSA-N 2 1 335.879 3.554 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884176866 1137922449 /nfs/dbraw/zinc/92/24/49/1137922449.db2.gz SEWKYLOFUFMNCJ-SFHVURJKSA-N 2 1 329.488 3.517 20 0 EHADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000120773014 1137952294 /nfs/dbraw/zinc/95/22/94/1137952294.db2.gz MLNPCPSTGKDYIS-QMHKHESXSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000120773014 1137952295 /nfs/dbraw/zinc/95/22/95/1137952295.db2.gz MLNPCPSTGKDYIS-QMHKHESXSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000120773014 1137952296 /nfs/dbraw/zinc/95/22/96/1137952296.db2.gz MLNPCPSTGKDYIS-QMHKHESXSA-N 2 1 336.545 3.729 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000885920805 1138024634 /nfs/dbraw/zinc/02/46/34/1138024634.db2.gz HRQMAAHPZHBSEH-FPOVZHCZSA-N 2 1 330.516 3.631 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000886501232 1138084520 /nfs/dbraw/zinc/08/45/20/1138084520.db2.gz BPKVVBOUNOUWBP-DJJJIMSYSA-N 2 1 327.447 3.758 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518821 1138088499 /nfs/dbraw/zinc/08/84/99/1138088499.db2.gz HDQADHFSNQASPK-QFBILLFUSA-N 2 1 346.544 3.681 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518821 1138088502 /nfs/dbraw/zinc/08/85/02/1138088502.db2.gz HDQADHFSNQASPK-QFBILLFUSA-N 2 1 346.544 3.681 20 0 EHADMP COC(=O)c1cc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)ccc1C ZINC000886659192 1138109990 /nfs/dbraw/zinc/10/99/90/1138109990.db2.gz FWFZAHWQDRIYTK-UHFFFAOYSA-N 2 1 341.455 3.501 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CCCO2 ZINC000089513135 1138200618 /nfs/dbraw/zinc/20/06/18/1138200618.db2.gz QWUOMIVRGLRMGJ-SFHVURJKSA-N 2 1 332.488 3.761 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000091726553 1138220952 /nfs/dbraw/zinc/22/09/52/1138220952.db2.gz XOHNUJMOCLPHSJ-XLIONFOSSA-N 2 1 346.515 3.545 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770449 1138240529 /nfs/dbraw/zinc/24/05/29/1138240529.db2.gz PPDWPSMCTWSPNA-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770449 1138240530 /nfs/dbraw/zinc/24/05/30/1138240530.db2.gz PPDWPSMCTWSPNA-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770449 1138240531 /nfs/dbraw/zinc/24/05/31/1138240531.db2.gz PPDWPSMCTWSPNA-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770449 1138240533 /nfs/dbraw/zinc/24/05/33/1138240533.db2.gz PPDWPSMCTWSPNA-AWEZNQCLSA-N 2 1 332.879 3.504 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126865543 1138341033 /nfs/dbraw/zinc/34/10/33/1138341033.db2.gz JQUNHSUEJQSRIA-CABCVRRESA-N 2 1 333.476 3.845 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cncc(F)c1 ZINC000126865543 1138341035 /nfs/dbraw/zinc/34/10/35/1138341035.db2.gz JQUNHSUEJQSRIA-CABCVRRESA-N 2 1 333.476 3.845 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c(O)cccc32)C2CC3CC(C2)CC1C3 ZINC000333883926 1138343150 /nfs/dbraw/zinc/34/31/50/1138343150.db2.gz WTDAIEPTWNKNIE-IFBLDDPYSA-N 2 1 326.484 3.513 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000128427567 1138389181 /nfs/dbraw/zinc/38/91/81/1138389181.db2.gz DCELOKFLKKSASE-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP c1ccc([C@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000131472521 1138520183 /nfs/dbraw/zinc/52/01/83/1138520183.db2.gz BYIOPHDLDXGBBA-LEWJYISDSA-N 2 1 342.527 3.947 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1C ZINC000337387217 1138553150 /nfs/dbraw/zinc/55/31/50/1138553150.db2.gz IPPIUANTYGBVSO-GOSISDBHSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000337997084 1138719570 /nfs/dbraw/zinc/71/95/70/1138719570.db2.gz KGROHJDLOFMPLE-OAHLLOKOSA-N 2 1 335.879 3.991 20 0 EHADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc(O)c2n1 ZINC000338320853 1138832242 /nfs/dbraw/zinc/83/22/42/1138832242.db2.gz UZOHXJOOVNLRCA-KRWDZBQOSA-N 2 1 339.483 3.557 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000176924010 1139588016 /nfs/dbraw/zinc/58/80/16/1139588016.db2.gz BBAQEWDWKZLWMN-UHFFFAOYSA-N 2 1 349.544 3.767 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000176924010 1139588019 /nfs/dbraw/zinc/58/80/19/1139588019.db2.gz BBAQEWDWKZLWMN-UHFFFAOYSA-N 2 1 349.544 3.767 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000178522454 1139701228 /nfs/dbraw/zinc/70/12/28/1139701228.db2.gz QOJNDAVIYPJWGS-GOSISDBHSA-N 2 1 338.495 3.851 20 0 EHADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000178620160 1139708317 /nfs/dbraw/zinc/70/83/17/1139708317.db2.gz GFMVWYRJQYZISW-BEFAXECRSA-N 2 1 343.540 3.975 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCCOCC2CC2)C3)cc1 ZINC000180105485 1139810217 /nfs/dbraw/zinc/81/02/17/1139810217.db2.gz LNQXDTVQOFGYCR-SEJPIABJSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181705733 1139925708 /nfs/dbraw/zinc/92/57/08/1139925708.db2.gz JOYANFZPIUXSKE-HNNXBMFYSA-N 2 1 349.906 3.764 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCO2 ZINC000183198030 1140019210 /nfs/dbraw/zinc/01/92/10/1140019210.db2.gz IGGUXXBREOALCI-YQQAZPJKSA-N 2 1 330.472 3.719 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691980 1140163682 /nfs/dbraw/zinc/16/36/82/1140163682.db2.gz LPDFZDGOIHALCC-CLCXKQKWSA-N 2 1 336.907 3.616 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707731 1140164960 /nfs/dbraw/zinc/16/49/60/1140164960.db2.gz KDKKFVUZYMEVHH-HUUCEWRRSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707731 1140164962 /nfs/dbraw/zinc/16/49/62/1140164962.db2.gz KDKKFVUZYMEVHH-HUUCEWRRSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197051 1140243680 /nfs/dbraw/zinc/24/36/80/1140243680.db2.gz ZMPYNZUYXAOXIT-XLIONFOSSA-N 2 1 349.950 3.545 20 0 EHADMP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197051 1140243683 /nfs/dbraw/zinc/24/36/83/1140243683.db2.gz ZMPYNZUYXAOXIT-XLIONFOSSA-N 2 1 349.950 3.545 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2ccccc2s1 ZINC000187968193 1140278088 /nfs/dbraw/zinc/27/80/88/1140278088.db2.gz PKDAJJZQZAJNPN-MRXNPFEDSA-N 2 1 331.529 3.580 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Cl)cc3F)CC2)nc(C)[nH+]1 ZINC000189374004 1140339720 /nfs/dbraw/zinc/33/97/20/1140339720.db2.gz RNLIUXLHWKCBLD-UHFFFAOYSA-N 2 1 348.853 3.645 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194004852 1140594387 /nfs/dbraw/zinc/59/43/87/1140594387.db2.gz MAIPPPRMJDWEEH-HSALFYBXSA-N 2 1 328.500 3.574 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2occc2C)CC1 ZINC000266211481 1140656440 /nfs/dbraw/zinc/65/64/40/1140656440.db2.gz OPILZEQTKIBHDA-INIZCTEOSA-N 2 1 345.462 3.720 20 0 EHADMP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000267193662 1140766657 /nfs/dbraw/zinc/76/66/57/1140766657.db2.gz MWHDYKYMMPARPC-UHFFFAOYSA-N 2 1 347.890 3.825 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-c2ccccc2)c1 ZINC000268821770 1140999183 /nfs/dbraw/zinc/99/91/83/1140999183.db2.gz HTKHCDMMKYAXEG-SFHVURJKSA-N 2 1 338.495 3.851 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@@H+]1C ZINC000268823779 1141000487 /nfs/dbraw/zinc/00/04/87/1141000487.db2.gz OVRVEAXPIMTNEH-VQIMIIECSA-N 2 1 337.467 3.511 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC[N@H+]1C ZINC000268823779 1141000497 /nfs/dbraw/zinc/00/04/97/1141000497.db2.gz OVRVEAXPIMTNEH-VQIMIIECSA-N 2 1 337.467 3.511 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000268888775 1141018030 /nfs/dbraw/zinc/01/80/30/1141018030.db2.gz TZNHIYZCTXIPPZ-LLVKDONJSA-N 2 1 340.240 3.834 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268983991 1141039468 /nfs/dbraw/zinc/03/94/68/1141039468.db2.gz DOPUQSURCPKYKW-APWZRJJASA-N 2 1 343.902 3.778 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268983991 1141039474 /nfs/dbraw/zinc/03/94/74/1141039474.db2.gz DOPUQSURCPKYKW-APWZRJJASA-N 2 1 343.902 3.778 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000268986281 1141040015 /nfs/dbraw/zinc/04/00/15/1141040015.db2.gz LPGKCHOBEVGBLE-LIRRHRJNSA-N 2 1 341.480 3.801 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000269055340 1141057227 /nfs/dbraw/zinc/05/72/27/1141057227.db2.gz SBLWTAXUBKUEDL-LIRRHRJNSA-N 2 1 341.480 3.801 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617175 1141127837 /nfs/dbraw/zinc/12/78/37/1141127837.db2.gz CVLDYGCTFWCNCA-HSALFYBXSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617175 1141127842 /nfs/dbraw/zinc/12/78/42/1141127842.db2.gz CVLDYGCTFWCNCA-HSALFYBXSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617175 1141127846 /nfs/dbraw/zinc/12/78/46/1141127846.db2.gz CVLDYGCTFWCNCA-HSALFYBXSA-N 2 1 334.479 3.588 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507122 1141233488 /nfs/dbraw/zinc/23/34/88/1141233488.db2.gz ORPVXVVVWAIENL-WMZOPIPTSA-N 2 1 344.524 3.803 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507122 1141233493 /nfs/dbraw/zinc/23/34/93/1141233493.db2.gz ORPVXVVVWAIENL-WMZOPIPTSA-N 2 1 344.524 3.803 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000271440638 1141367982 /nfs/dbraw/zinc/36/79/82/1141367982.db2.gz CICZGEISFQLWED-CRAIPNDOSA-N 2 1 325.456 3.933 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000271442581 1141368311 /nfs/dbraw/zinc/36/83/11/1141368311.db2.gz DPAHNPAYDSELKP-AEFFLSMTSA-N 2 1 329.513 3.718 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000271442581 1141368319 /nfs/dbraw/zinc/36/83/19/1141368319.db2.gz DPAHNPAYDSELKP-AEFFLSMTSA-N 2 1 329.513 3.718 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000348710257 1141569265 /nfs/dbraw/zinc/56/92/65/1141569265.db2.gz ZEVVIVWGOSRISH-RYQLBKOJSA-N 2 1 327.472 3.630 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000349135307 1141643354 /nfs/dbraw/zinc/64/33/54/1141643354.db2.gz YHXNKQUIEAEBJJ-GOSISDBHSA-N 2 1 341.524 3.974 20 0 EHADMP C[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC001164635492 719211585 /nfs/dbraw/zinc/21/15/85/719211585.db2.gz IQJRVPISIZBDME-SJORKVTESA-N 2 1 334.467 3.613 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537985753 1032062365 /nfs/dbraw/zinc/06/23/65/1032062365.db2.gz CQXFYANKONVBCY-MBNYWOFBSA-N 2 1 331.287 3.691 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339421030 1014385894 /nfs/dbraw/zinc/38/58/94/1014385894.db2.gz DGOFMFXIARWZAB-HNNXBMFYSA-N 2 1 341.434 3.647 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1ccc(F)cc1 ZINC000643546886 1014490758 /nfs/dbraw/zinc/49/07/58/1014490758.db2.gz WHKYNEJGKKNFJT-RHSMWYFYSA-N 2 1 342.462 3.645 20 0 EHADMP c1cc2cccc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)c2o1 ZINC000449059945 1032103916 /nfs/dbraw/zinc/10/39/16/1032103916.db2.gz DJDJBAHNFINJBA-UHFFFAOYSA-N 2 1 336.435 3.555 20 0 EHADMP COCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760629 1014956421 /nfs/dbraw/zinc/95/64/21/1014956421.db2.gz KBTUFIXXPQDROW-SXLOBPIMSA-N 2 1 342.483 3.857 20 0 EHADMP COCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000274760629 1014956436 /nfs/dbraw/zinc/95/64/36/1014956436.db2.gz KBTUFIXXPQDROW-SXLOBPIMSA-N 2 1 342.483 3.857 20 0 EHADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000683228106 1015161673 /nfs/dbraw/zinc/16/16/73/1015161673.db2.gz UCPHSJPCKBGPAC-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274876137 1015562377 /nfs/dbraw/zinc/56/23/77/1015562377.db2.gz GQSDEMAEXAQMKU-CBANROCLSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274876137 1015562384 /nfs/dbraw/zinc/56/23/84/1015562384.db2.gz GQSDEMAEXAQMKU-CBANROCLSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876137 1015562389 /nfs/dbraw/zinc/56/23/89/1015562389.db2.gz GQSDEMAEXAQMKU-CBANROCLSA-N 2 1 341.543 3.502 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000471227153 1015824685 /nfs/dbraw/zinc/82/46/85/1015824685.db2.gz MWROQRNEGZFKAR-GDBMZVCRSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000471227153 1015824695 /nfs/dbraw/zinc/82/46/95/1015824695.db2.gz MWROQRNEGZFKAR-GDBMZVCRSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000471227153 1015824702 /nfs/dbraw/zinc/82/47/02/1015824702.db2.gz MWROQRNEGZFKAR-GDBMZVCRSA-N 2 1 344.421 3.746 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000624122370 1016925001 /nfs/dbraw/zinc/92/50/01/1016925001.db2.gz PIZQDRISQFANPM-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[C@@H](CCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000376663369 1016965071 /nfs/dbraw/zinc/96/50/71/1016965071.db2.gz JJEBZOUGSNWTAP-PELRDEGISA-N 2 1 332.532 3.818 20 0 EHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000340349945 1017000606 /nfs/dbraw/zinc/00/06/06/1017000606.db2.gz JFFBWUFHTIHBPW-NHCUHLMSSA-N 2 1 342.527 3.846 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449107043 1032185343 /nfs/dbraw/zinc/18/53/43/1032185343.db2.gz LDVXBJXPKKISMU-IINYFYTJSA-N 2 1 329.257 3.505 20 0 EHADMP COCC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000449109301 1032187838 /nfs/dbraw/zinc/18/78/38/1032187838.db2.gz XSAGOYRDRPUTOK-LXPRWKDFSA-N 2 1 336.545 3.755 20 0 EHADMP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000449109301 1032187844 /nfs/dbraw/zinc/18/78/44/1032187844.db2.gz XSAGOYRDRPUTOK-LXPRWKDFSA-N 2 1 336.545 3.755 20 0 EHADMP C/C(Cl)=C\C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000528371386 1032205439 /nfs/dbraw/zinc/20/54/39/1032205439.db2.gz DDUROYNIIJONIS-DDBXPCSUSA-N 2 1 336.907 3.506 20 0 EHADMP C/C(Cl)=C/C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000528371389 1032205882 /nfs/dbraw/zinc/20/58/82/1032205882.db2.gz DDUROYNIIJONIS-DLXXGXJASA-N 2 1 336.907 3.506 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379631040 1032207247 /nfs/dbraw/zinc/20/72/47/1032207247.db2.gz QVMHOHDTCFGQHU-GHTZIAJQSA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379631040 1032207265 /nfs/dbraw/zinc/20/72/65/1032207265.db2.gz QVMHOHDTCFGQHU-GHTZIAJQSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@H]1C[C@H](NCc2ccncc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379656027 1032252418 /nfs/dbraw/zinc/25/24/18/1032252418.db2.gz NUBCXYRPYRJWDS-MAUKXSAKSA-N 2 1 329.875 3.878 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461107763 1032257932 /nfs/dbraw/zinc/25/79/32/1032257932.db2.gz CVHSMYVTMCCMOX-AEFFLSMTSA-N 2 1 348.531 3.691 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C2CC2)c1 ZINC000536833039 1032328973 /nfs/dbraw/zinc/32/89/73/1032328973.db2.gz NSDPDPMYWMBHSO-SIKLNZKXSA-N 2 1 344.543 3.974 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)Oc1ccccc1 ZINC000536878629 1032381790 /nfs/dbraw/zinc/38/17/90/1032381790.db2.gz TWLAMPLGCWTUDY-KNKQGSTJSA-N 2 1 338.495 3.954 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000648450031 1032419815 /nfs/dbraw/zinc/41/98/15/1032419815.db2.gz MCBLONOJMQFSTN-LJQANCHMSA-N 2 1 335.580 3.740 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000398007967 1032430398 /nfs/dbraw/zinc/43/03/98/1032430398.db2.gz AABPGAQZBAXRNU-HVETUWLQSA-N 2 1 335.495 3.756 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000398007967 1032430400 /nfs/dbraw/zinc/43/04/00/1032430400.db2.gz AABPGAQZBAXRNU-HVETUWLQSA-N 2 1 335.495 3.756 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000459784590 1032467225 /nfs/dbraw/zinc/46/72/25/1032467225.db2.gz OALQJSLKHJAFTP-OAHLLOKOSA-N 2 1 331.485 3.647 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798365 1032480522 /nfs/dbraw/zinc/48/05/22/1032480522.db2.gz XLPYMNBZFBCVBM-LSDHHAIUSA-N 2 1 328.422 3.958 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)ccc1OCC(C)C ZINC000537068643 1032506977 /nfs/dbraw/zinc/50/69/77/1032506977.db2.gz LAHUSWSRIIANHM-SJLPKXTDSA-N 2 1 334.504 3.865 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000090590759 1032587665 /nfs/dbraw/zinc/58/76/65/1032587665.db2.gz WVHNHDLICGTKTA-BBRMVZONSA-N 2 1 339.321 3.657 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449481052 1032627191 /nfs/dbraw/zinc/62/71/91/1032627191.db2.gz QOKPXUYIDBALGC-IBGZPJMESA-N 2 1 328.500 3.590 20 0 EHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124374516 1017136133 /nfs/dbraw/zinc/13/61/33/1017136133.db2.gz RGGZKNFSARWZOY-QGZVFWFLSA-N 2 1 343.515 3.665 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C)c1Br ZINC001236217187 1123107793 /nfs/dbraw/zinc/10/77/93/1123107793.db2.gz NNIYZVXYPQBQFF-CABCVRRESA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C)c1Br ZINC001236217187 1123107796 /nfs/dbraw/zinc/10/77/96/1123107796.db2.gz NNIYZVXYPQBQFF-CABCVRRESA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892739141 1017290609 /nfs/dbraw/zinc/29/06/09/1017290609.db2.gz ZDGNCPFSANNYGR-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892739141 1017290622 /nfs/dbraw/zinc/29/06/22/1017290622.db2.gz ZDGNCPFSANNYGR-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCn4ccnc43)c2)CC1 ZINC000655716751 1017453066 /nfs/dbraw/zinc/45/30/66/1017453066.db2.gz MYTUXZABVJPLFI-FQEVSTJZSA-N 2 1 338.499 3.740 20 0 EHADMP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000449512565 1032700479 /nfs/dbraw/zinc/70/04/79/1032700479.db2.gz PSNKACXXKOBIST-VXKWHMMOSA-N 2 1 346.559 3.572 20 0 EHADMP c1ccc(C2CCC([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC2)cc1 ZINC000415047018 1017467101 /nfs/dbraw/zinc/46/71/01/1017467101.db2.gz DLMCRSKCQJNPKN-UHFFFAOYSA-N 2 1 341.543 3.519 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)s2)cc1C ZINC000655733350 1017487575 /nfs/dbraw/zinc/48/75/75/1017487575.db2.gz LPBDYBFGNSRXDS-MRXNPFEDSA-N 2 1 329.513 3.858 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)s2)cc1C ZINC000655733350 1017487584 /nfs/dbraw/zinc/48/75/84/1017487584.db2.gz LPBDYBFGNSRXDS-MRXNPFEDSA-N 2 1 329.513 3.858 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415068463 1017500060 /nfs/dbraw/zinc/50/00/60/1017500060.db2.gz RBXRQHCYJFOMPO-DYVFJYSZSA-N 2 1 326.431 3.716 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071922 1017514652 /nfs/dbraw/zinc/51/46/52/1017514652.db2.gz XBNOUZWKMFJHJS-BDJLRTHQSA-N 2 1 343.284 3.626 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000415079288 1017518185 /nfs/dbraw/zinc/51/81/85/1017518185.db2.gz HVICYOAWVKJKOU-LQWHRVPQSA-N 2 1 344.547 3.507 20 0 EHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000415115692 1017572476 /nfs/dbraw/zinc/57/24/76/1017572476.db2.gz XDQPBTXMZPJOBW-JSGCOSHPSA-N 2 1 349.327 3.773 20 0 EHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000415119324 1017574827 /nfs/dbraw/zinc/57/48/27/1017574827.db2.gz FHZIXNKBOQGJRG-NVXWUHKLSA-N 2 1 343.298 3.712 20 0 EHADMP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)c1 ZINC000415120203 1017580667 /nfs/dbraw/zinc/58/06/67/1017580667.db2.gz KXOYJSUNPIVAKZ-YADHBBJMSA-N 2 1 346.478 3.514 20 0 EHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275609920 1017711543 /nfs/dbraw/zinc/71/15/43/1017711543.db2.gz RAWCHKMRQILUAQ-SFTDATJTSA-N 2 1 342.527 3.632 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000340446078 1017854668 /nfs/dbraw/zinc/85/46/68/1017854668.db2.gz JEELVQQSYWVECW-FAXKSRBJSA-N 2 1 337.467 3.633 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000721642168 1018010069 /nfs/dbraw/zinc/01/00/69/1018010069.db2.gz QWNUCYKGSIYTHH-AQNXPRMDSA-N 2 1 330.516 3.692 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000659852990 1018116953 /nfs/dbraw/zinc/11/69/53/1018116953.db2.gz RJUWPFRFJYCHHN-UHFFFAOYSA-N 2 1 330.394 3.591 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@H]1c1cccs1 ZINC000893021324 1018186654 /nfs/dbraw/zinc/18/66/54/1018186654.db2.gz SOFMIVVYTUGPDO-KDOFPFPSSA-N 2 1 334.460 3.766 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)[C@H]1c1cccs1 ZINC000893021324 1018186665 /nfs/dbraw/zinc/18/66/65/1018186665.db2.gz SOFMIVVYTUGPDO-KDOFPFPSSA-N 2 1 334.460 3.766 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000340520773 1018209673 /nfs/dbraw/zinc/20/96/73/1018209673.db2.gz XYPMYYAKCXRXAE-CBNMVNINSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000340533518 1018262610 /nfs/dbraw/zinc/26/26/10/1018262610.db2.gz YIKMHSLILLYJJF-RCKXYERXSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472853874 1018311722 /nfs/dbraw/zinc/31/17/22/1018311722.db2.gz UEPZYDUOJXEUHX-ROUUACIJSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472853874 1018311731 /nfs/dbraw/zinc/31/17/31/1018311731.db2.gz UEPZYDUOJXEUHX-ROUUACIJSA-N 2 1 349.950 3.893 20 0 EHADMP Cc1cccc2c1CC[N@@H+](CCCN1CCN(c3ccccc3)CC1)C2 ZINC001167353834 1018647690 /nfs/dbraw/zinc/64/76/90/1018647690.db2.gz PHKNBTYPIQCBTM-UHFFFAOYSA-N 2 1 349.522 3.565 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000580305003 1018964871 /nfs/dbraw/zinc/96/48/71/1018964871.db2.gz IILRWQXRXNNQGM-INIZCTEOSA-N 3 1 326.488 3.563 20 0 EHADMP COC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615537 1018997870 /nfs/dbraw/zinc/99/78/70/1018997870.db2.gz AVCPKAYWPBWVNL-GHTZIAJQSA-N 2 1 326.484 3.874 20 0 EHADMP COC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615537 1018997874 /nfs/dbraw/zinc/99/78/74/1018997874.db2.gz AVCPKAYWPBWVNL-GHTZIAJQSA-N 2 1 326.484 3.874 20 0 EHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561614 1032811385 /nfs/dbraw/zinc/81/13/85/1032811385.db2.gz WDFNGGUSVWILTA-LNRIEFBSSA-N 2 1 349.906 3.580 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513211804 1019417875 /nfs/dbraw/zinc/41/78/75/1019417875.db2.gz BSRQGGDKIGEPAC-DENIHFKCSA-N 3 1 343.559 3.751 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513211804 1019417887 /nfs/dbraw/zinc/41/78/87/1019417887.db2.gz BSRQGGDKIGEPAC-DENIHFKCSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000580471663 1019426960 /nfs/dbraw/zinc/42/69/60/1019426960.db2.gz BCDJVYOTXDAPMZ-SVFBPWRDSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000580471663 1019426983 /nfs/dbraw/zinc/42/69/83/1019426983.db2.gz BCDJVYOTXDAPMZ-SVFBPWRDSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513220983 1019436874 /nfs/dbraw/zinc/43/68/74/1019436874.db2.gz AKJNPPOOCONSGO-LQWHRVPQSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513220983 1019436886 /nfs/dbraw/zinc/43/68/86/1019436886.db2.gz AKJNPPOOCONSGO-LQWHRVPQSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513234363 1019462207 /nfs/dbraw/zinc/46/22/07/1019462207.db2.gz WFLWOPMJFOQUBM-SVFBPWRDSA-N 2 1 339.527 3.989 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513234363 1019462220 /nfs/dbraw/zinc/46/22/20/1019462220.db2.gz WFLWOPMJFOQUBM-SVFBPWRDSA-N 2 1 339.527 3.989 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000513325377 1019533152 /nfs/dbraw/zinc/53/31/52/1019533152.db2.gz HPILKTFQSUNTKY-YYWHXJBOSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000513325377 1019533162 /nfs/dbraw/zinc/53/31/62/1019533162.db2.gz HPILKTFQSUNTKY-YYWHXJBOSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000513340962 1019542938 /nfs/dbraw/zinc/54/29/38/1019542938.db2.gz OXDVKHHCFMMETF-AYWYSENESA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000513340962 1019542947 /nfs/dbraw/zinc/54/29/47/1019542947.db2.gz OXDVKHHCFMMETF-AYWYSENESA-N 2 1 330.516 3.570 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000345179364 1020028854 /nfs/dbraw/zinc/02/88/54/1020028854.db2.gz LRQLYAVWZFVKEO-ZDUSSCGKSA-N 2 1 329.257 3.552 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398297844 1020193148 /nfs/dbraw/zinc/19/31/48/1020193148.db2.gz KSAUYOPFVQSHAJ-WKULXVSPSA-N 2 1 338.417 3.828 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398297844 1020193154 /nfs/dbraw/zinc/19/31/54/1020193154.db2.gz KSAUYOPFVQSHAJ-WKULXVSPSA-N 2 1 338.417 3.828 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548156365 1020579602 /nfs/dbraw/zinc/57/96/02/1020579602.db2.gz OSHJCWJJQIUDJH-KNQAVFIVSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548156365 1020579611 /nfs/dbraw/zinc/57/96/11/1020579611.db2.gz OSHJCWJJQIUDJH-KNQAVFIVSA-N 2 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548156364 1020579708 /nfs/dbraw/zinc/57/97/08/1020579708.db2.gz OSHJCWJJQIUDJH-DENIHFKCSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548156364 1020579716 /nfs/dbraw/zinc/57/97/16/1020579716.db2.gz OSHJCWJJQIUDJH-DENIHFKCSA-N 2 1 343.559 3.609 20 0 EHADMP COCc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000093844507 1032913819 /nfs/dbraw/zinc/91/38/19/1032913819.db2.gz BWCBLOOOAQKQDW-KRWDZBQOSA-N 2 1 334.504 3.903 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000513702964 1020637223 /nfs/dbraw/zinc/63/72/23/1020637223.db2.gz OYNBAOWLMTVZFL-VBNZEHGJSA-N 2 1 341.268 3.551 20 0 EHADMP Clc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001279481988 1020709295 /nfs/dbraw/zinc/70/92/95/1020709295.db2.gz SXGNMNFXPRXAQF-UHFFFAOYSA-N 2 1 333.863 3.749 20 0 EHADMP Clc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001279481988 1020709303 /nfs/dbraw/zinc/70/93/03/1020709303.db2.gz SXGNMNFXPRXAQF-UHFFFAOYSA-N 2 1 333.863 3.749 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnn(C)c1 ZINC000156187871 1020801843 /nfs/dbraw/zinc/80/18/43/1020801843.db2.gz CESNNDQXPCXURX-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP Brc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091268692 1020825359 /nfs/dbraw/zinc/82/53/59/1020825359.db2.gz UNTVPAOKRSIECG-KRWDZBQOSA-N 2 1 335.289 3.653 20 0 EHADMP CCOc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)cc1OCC ZINC000341015863 1020859945 /nfs/dbraw/zinc/85/99/45/1020859945.db2.gz MTZKSKFBROQMDI-FQEVSTJZSA-N 2 1 345.487 3.976 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000276276435 1020988633 /nfs/dbraw/zinc/98/86/33/1020988633.db2.gz DMGLTGKJIBBCRK-FQEVSTJZSA-N 2 1 325.456 3.552 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000276276435 1020988638 /nfs/dbraw/zinc/98/86/38/1020988638.db2.gz DMGLTGKJIBBCRK-FQEVSTJZSA-N 2 1 325.456 3.552 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Br)cs1 ZINC000296645238 1021010147 /nfs/dbraw/zinc/01/01/47/1021010147.db2.gz YKCKHUJTMSUXLA-SMHCIBLRSA-N 2 1 329.307 3.786 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Br)cs1 ZINC000296645238 1021010151 /nfs/dbraw/zinc/01/01/51/1021010151.db2.gz YKCKHUJTMSUXLA-SMHCIBLRSA-N 2 1 329.307 3.786 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000668489236 1021173353 /nfs/dbraw/zinc/17/33/53/1021173353.db2.gz LAYHLDFOSYUUED-PGRDOPGGSA-N 2 1 338.495 3.537 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430621053 1021193199 /nfs/dbraw/zinc/19/31/99/1021193199.db2.gz CVTREUMSTIDEBS-AWEZNQCLSA-N 2 1 330.394 3.535 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000507483233 1021301219 /nfs/dbraw/zinc/30/12/19/1021301219.db2.gz GXXBKAGWTVAYKP-PWRODBHTSA-N 2 1 342.527 3.693 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000656783056 1021321568 /nfs/dbraw/zinc/32/15/68/1021321568.db2.gz NAEQQIBVOPVKMI-LJQANCHMSA-N 2 1 344.547 3.679 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C3CCCC3)c2)CC12CCOCC2 ZINC000656785717 1021337448 /nfs/dbraw/zinc/33/74/48/1021337448.db2.gz IQNPDVUGOSSBIW-HXUWFJFHSA-N 2 1 328.500 3.532 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1SC ZINC000656784742 1021338482 /nfs/dbraw/zinc/33/84/82/1021338482.db2.gz GTSFMQHFTJRAIJ-KRWDZBQOSA-N 2 1 334.529 3.629 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000656785108 1021340318 /nfs/dbraw/zinc/34/03/18/1021340318.db2.gz IMHVBTZZCNRBEE-IBGZPJMESA-N 2 1 339.483 3.862 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2ncccc12 ZINC000656786650 1021342195 /nfs/dbraw/zinc/34/21/95/1021342195.db2.gz VPPDRZORMNZGSM-MRXNPFEDSA-N 2 1 327.447 3.586 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)cc1O ZINC000426366008 1021393968 /nfs/dbraw/zinc/39/39/68/1021393968.db2.gz NYZFFAUNENAFDL-IEBWSBKVSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)cc1O ZINC000426366008 1021393987 /nfs/dbraw/zinc/39/39/87/1021393987.db2.gz NYZFFAUNENAFDL-IEBWSBKVSA-N 2 1 348.531 3.822 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000187965341 1021421960 /nfs/dbraw/zinc/42/19/60/1021421960.db2.gz WJGBWEHNOBUUMT-GOSISDBHSA-N 2 1 338.499 3.868 20 0 EHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000684378991 1021478068 /nfs/dbraw/zinc/47/80/68/1021478068.db2.gz UAOZRCNRFWVNRO-NHCUHLMSSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(Br)s2)C1 ZINC000518764691 1021514320 /nfs/dbraw/zinc/51/43/20/1021514320.db2.gz ZMIOFNRIFHHWRD-CHWSQXEVSA-N 2 1 345.350 3.968 20 0 EHADMP CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437096316 1021548187 /nfs/dbraw/zinc/54/81/87/1021548187.db2.gz SSXCXDZWSWJMIO-VAMGGRTRSA-N 2 1 330.516 3.692 20 0 EHADMP CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437096314 1021549178 /nfs/dbraw/zinc/54/91/78/1021549178.db2.gz SSXCXDZWSWJMIO-HSALFYBXSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCOC1 ZINC000164516503 1021561993 /nfs/dbraw/zinc/56/19/93/1021561993.db2.gz UEWYTODSTAPCOG-FPOVZHCZSA-N 2 1 342.483 3.816 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000573338670 1021604918 /nfs/dbraw/zinc/60/49/18/1021604918.db2.gz VDWVCKWNEIYRNW-MQIPJXDCSA-N 2 1 325.294 3.576 20 0 EHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCOc5ccccc54)C[C@H]3C2)cc1 ZINC000684412835 1021672809 /nfs/dbraw/zinc/67/28/09/1021672809.db2.gz BAZCTHLMAUKXNB-NJYVYQBISA-N 2 1 348.490 3.617 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CCOc5ccccc54)C[C@H]3C2)cc1 ZINC000684412835 1021672813 /nfs/dbraw/zinc/67/28/13/1021672813.db2.gz BAZCTHLMAUKXNB-NJYVYQBISA-N 2 1 348.490 3.617 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CCOc5ccccc54)C[C@H]3C2)cc1 ZINC000684412835 1021672827 /nfs/dbraw/zinc/67/28/27/1021672827.db2.gz BAZCTHLMAUKXNB-NJYVYQBISA-N 2 1 348.490 3.617 20 0 EHADMP CCOC(CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OCC ZINC000276604764 1021977301 /nfs/dbraw/zinc/97/73/01/1021977301.db2.gz YKQADXHRYUYHNB-OAHLLOKOSA-N 2 1 331.460 3.621 20 0 EHADMP O[C@H]1Cc2ccccc2[C@H]1N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638414642 1022016047 /nfs/dbraw/zinc/01/60/47/1022016047.db2.gz AFINUECROOYEJX-FDTGPBLFSA-N 2 1 348.490 3.602 20 0 EHADMP O[C@H]1Cc2ccccc2[C@H]1N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638414642 1022016067 /nfs/dbraw/zinc/01/60/67/1022016067.db2.gz AFINUECROOYEJX-FDTGPBLFSA-N 2 1 348.490 3.602 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000341504019 1022043595 /nfs/dbraw/zinc/04/35/95/1022043595.db2.gz XCTUUTJXYDEHAR-KRWDZBQOSA-N 2 1 335.289 3.678 20 0 EHADMP Cc1nccn1CCC[N@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441253875 1022100219 /nfs/dbraw/zinc/10/02/19/1022100219.db2.gz LKXHJVQZGSUYGV-HZPDHXFCSA-N 2 1 349.906 3.549 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441253875 1022100229 /nfs/dbraw/zinc/10/02/29/1022100229.db2.gz LKXHJVQZGSUYGV-HZPDHXFCSA-N 2 1 349.906 3.549 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441253875 1022100237 /nfs/dbraw/zinc/10/02/37/1022100237.db2.gz LKXHJVQZGSUYGV-HZPDHXFCSA-N 2 1 349.906 3.549 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192022 1022144401 /nfs/dbraw/zinc/14/44/01/1022144401.db2.gz MFIROPYTIYTJQL-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192022 1022144403 /nfs/dbraw/zinc/14/44/03/1022144403.db2.gz MFIROPYTIYTJQL-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335425 1022154816 /nfs/dbraw/zinc/15/48/16/1022154816.db2.gz YKCAKRYFORTWSF-OAHLLOKOSA-N 2 1 330.394 3.891 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335425 1022154825 /nfs/dbraw/zinc/15/48/25/1022154825.db2.gz YKCAKRYFORTWSF-OAHLLOKOSA-N 2 1 330.394 3.891 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335425 1022154835 /nfs/dbraw/zinc/15/48/35/1022154835.db2.gz YKCAKRYFORTWSF-OAHLLOKOSA-N 2 1 330.394 3.891 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335425 1022154844 /nfs/dbraw/zinc/15/48/44/1022154844.db2.gz YKCAKRYFORTWSF-OAHLLOKOSA-N 2 1 330.394 3.891 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC(F)(F)F)cc1 ZINC000441335425 1022154851 /nfs/dbraw/zinc/15/48/51/1022154851.db2.gz YKCAKRYFORTWSF-OAHLLOKOSA-N 2 1 330.394 3.891 20 0 EHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167967127 1022176038 /nfs/dbraw/zinc/17/60/38/1022176038.db2.gz CQYTVNHOJRZGAE-RAFMOHDBSA-N 2 1 348.918 3.759 20 0 EHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167967127 1022176051 /nfs/dbraw/zinc/17/60/51/1022176051.db2.gz CQYTVNHOJRZGAE-RAFMOHDBSA-N 2 1 348.918 3.759 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385154 1022202172 /nfs/dbraw/zinc/20/21/72/1022202172.db2.gz CLMGIAWALICSJD-ICSRJNTNSA-N 2 1 342.527 3.750 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385154 1022202186 /nfs/dbraw/zinc/20/21/86/1022202186.db2.gz CLMGIAWALICSJD-ICSRJNTNSA-N 2 1 342.527 3.750 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385154 1022202191 /nfs/dbraw/zinc/20/21/91/1022202191.db2.gz CLMGIAWALICSJD-ICSRJNTNSA-N 2 1 342.527 3.750 20 0 EHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000163935882 1022207033 /nfs/dbraw/zinc/20/70/33/1022207033.db2.gz RMJWMABTHAKTEV-LJQANCHMSA-N 2 1 341.499 3.528 20 0 EHADMP Cc1cccc(C[NH+](C)CCCCC[N@H+](C)Cc2cccc(C)n2)n1 ZINC000437885599 1022219772 /nfs/dbraw/zinc/21/97/72/1022219772.db2.gz AOQCNBWVVSEMKZ-UHFFFAOYSA-N 2 1 340.515 3.828 20 0 EHADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406691 1022234769 /nfs/dbraw/zinc/23/47/69/1022234769.db2.gz YVVWTMONFVIFAD-AZUAARDMSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406691 1022234791 /nfs/dbraw/zinc/23/47/91/1022234791.db2.gz YVVWTMONFVIFAD-AZUAARDMSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441406691 1022234804 /nfs/dbraw/zinc/23/48/04/1022234804.db2.gz YVVWTMONFVIFAD-AZUAARDMSA-N 2 1 328.500 3.631 20 0 EHADMP COc1cc(OC)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167970976 1022385775 /nfs/dbraw/zinc/38/57/75/1022385775.db2.gz REWFJTRXCKSXCL-AQXGTKIOSA-N 2 1 344.499 3.760 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425953920 1022440886 /nfs/dbraw/zinc/44/08/86/1022440886.db2.gz XSWOFPPLVDVUEY-CABCVRRESA-N 2 1 331.529 3.891 20 0 EHADMP C(C[NH+]1CCCC1)[C@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995484 1022441397 /nfs/dbraw/zinc/44/13/97/1022441397.db2.gz HCJSBJIAEZXVOF-IZCSPVGOSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995484 1022441403 /nfs/dbraw/zinc/44/14/03/1022441403.db2.gz HCJSBJIAEZXVOF-IZCSPVGOSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995484 1022441407 /nfs/dbraw/zinc/44/14/07/1022441407.db2.gz HCJSBJIAEZXVOF-IZCSPVGOSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995484 1022441412 /nfs/dbraw/zinc/44/14/12/1022441412.db2.gz HCJSBJIAEZXVOF-IZCSPVGOSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995484 1022441416 /nfs/dbraw/zinc/44/14/16/1022441416.db2.gz HCJSBJIAEZXVOF-IZCSPVGOSA-N 3 1 345.575 3.732 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3ccccc3F)CCCC2)CC1 ZINC000438185264 1022457248 /nfs/dbraw/zinc/45/72/48/1022457248.db2.gz CEMRLTIVCXOZSG-QGZVFWFLSA-N 2 1 348.506 3.770 20 0 EHADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000471830185 1022459796 /nfs/dbraw/zinc/45/97/96/1022459796.db2.gz AVAVLFREWXMXCQ-PKOBYXMFSA-N 2 1 329.513 3.624 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000129176521 1022488850 /nfs/dbraw/zinc/48/88/50/1022488850.db2.gz CPWUKTWTLZNWDY-UHFFFAOYSA-N 2 1 329.257 3.551 20 0 EHADMP COc1cccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000192952478 1022537665 /nfs/dbraw/zinc/53/76/65/1022537665.db2.gz DDLBWZPYPFYQLQ-SFHVURJKSA-N 2 1 342.458 3.788 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200572 1022723752 /nfs/dbraw/zinc/72/37/52/1022723752.db2.gz OHRLCXWGCFZLQS-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200572 1022723762 /nfs/dbraw/zinc/72/37/62/1022723762.db2.gz OHRLCXWGCFZLQS-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200572 1022723779 /nfs/dbraw/zinc/72/37/79/1022723779.db2.gz OHRLCXWGCFZLQS-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000341639711 1022742651 /nfs/dbraw/zinc/74/26/51/1022742651.db2.gz MAUUHBOURAIIPA-WMLDXEAASA-N 2 1 345.314 3.881 20 0 EHADMP CC1([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH2+]CC1 ZINC000414942692 1022928490 /nfs/dbraw/zinc/92/84/90/1022928490.db2.gz MTWOZOMLVDSZDY-UHFFFAOYSA-N 2 1 327.453 3.788 20 0 EHADMP FC(F)(F)Oc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000506881059 1022971361 /nfs/dbraw/zinc/97/13/61/1022971361.db2.gz CKEZGMRJRFXCPX-UHFFFAOYSA-N 2 1 342.405 3.893 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414950660 1022987439 /nfs/dbraw/zinc/98/74/39/1022987439.db2.gz PCMVMWSUBZHQSI-FUHWJXTLSA-N 2 1 340.515 3.708 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cc1O ZINC000426172766 1023040653 /nfs/dbraw/zinc/04/06/53/1023040653.db2.gz CKHOBYUMXMANEJ-VQIMIIECSA-N 2 1 346.515 3.576 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1O ZINC000426172766 1023040662 /nfs/dbraw/zinc/04/06/62/1023040662.db2.gz CKHOBYUMXMANEJ-VQIMIIECSA-N 2 1 346.515 3.576 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000506478130 1023249593 /nfs/dbraw/zinc/24/95/93/1023249593.db2.gz FFCQGDDQBVJYCU-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478130 1023249601 /nfs/dbraw/zinc/24/96/01/1023249601.db2.gz FFCQGDDQBVJYCU-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478130 1023249609 /nfs/dbraw/zinc/24/96/09/1023249609.db2.gz FFCQGDDQBVJYCU-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000506478130 1023249614 /nfs/dbraw/zinc/24/96/14/1023249614.db2.gz FFCQGDDQBVJYCU-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000506478130 1023249618 /nfs/dbraw/zinc/24/96/18/1023249618.db2.gz FFCQGDDQBVJYCU-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089115 1023451059 /nfs/dbraw/zinc/45/10/59/1023451059.db2.gz CAXGSVVICWIITC-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000449740504 1033140762 /nfs/dbraw/zinc/14/07/62/1033140762.db2.gz GUTOHMWJGYRXTA-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000449740504 1033140772 /nfs/dbraw/zinc/14/07/72/1033140772.db2.gz GUTOHMWJGYRXTA-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657876430 1033152343 /nfs/dbraw/zinc/15/23/43/1033152343.db2.gz LWDWIESMAULZTB-RDJZCZTQSA-N 2 1 339.321 3.702 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342102234 1023993760 /nfs/dbraw/zinc/99/37/60/1023993760.db2.gz LUULRKYWRNRYGT-RNIPGJKVSA-N 2 1 343.515 3.505 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342102234 1023993769 /nfs/dbraw/zinc/99/37/69/1023993769.db2.gz LUULRKYWRNRYGT-RNIPGJKVSA-N 2 1 343.515 3.505 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCOCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020902 1024060498 /nfs/dbraw/zinc/06/04/98/1024060498.db2.gz OLQYLCBIFLYVSR-PIKOESSRSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000514085719 1024120127 /nfs/dbraw/zinc/12/01/27/1024120127.db2.gz WYPFEBPGFCTEAY-BHIFYINESA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000514085719 1024120137 /nfs/dbraw/zinc/12/01/37/1024120137.db2.gz WYPFEBPGFCTEAY-BHIFYINESA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000514085719 1024120148 /nfs/dbraw/zinc/12/01/48/1024120148.db2.gz WYPFEBPGFCTEAY-BHIFYINESA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000514085719 1024120158 /nfs/dbraw/zinc/12/01/58/1024120158.db2.gz WYPFEBPGFCTEAY-BHIFYINESA-N 2 1 341.543 3.635 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]21 ZINC000342129182 1024197316 /nfs/dbraw/zinc/19/73/16/1024197316.db2.gz NHJXBKDUICCTGN-YLQAJVPDSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]21 ZINC000342129182 1024197324 /nfs/dbraw/zinc/19/73/24/1024197324.db2.gz NHJXBKDUICCTGN-YLQAJVPDSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]21 ZINC000342129174 1024198169 /nfs/dbraw/zinc/19/81/69/1024198169.db2.gz NHJXBKDUICCTGN-ISTRZQFTSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]21 ZINC000342129174 1024198174 /nfs/dbraw/zinc/19/81/74/1024198174.db2.gz NHJXBKDUICCTGN-ISTRZQFTSA-N 2 1 331.460 3.508 20 0 EHADMP C[C@H]1CC([NH2+]CC23CC[NH+](CC2)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168022505 1024215018 /nfs/dbraw/zinc/21/50/18/1024215018.db2.gz SRSAZFOQKSBUJZ-OALUTQOASA-N 2 1 341.543 3.504 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000190697450 1024337645 /nfs/dbraw/zinc/33/76/45/1024337645.db2.gz FTHAXWGAKUSLJU-WOSRLPQWSA-N 2 1 325.294 3.576 20 0 EHADMP FC(F)(F)Sc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261922302 1024442058 /nfs/dbraw/zinc/44/20/58/1024442058.db2.gz BTDWFEVSJTXKAK-UHFFFAOYSA-N 2 1 330.419 3.874 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000536477154 1024534379 /nfs/dbraw/zinc/53/43/79/1024534379.db2.gz ZRQCQVBOOHUOES-UHFFFAOYSA-N 2 1 339.483 3.793 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000114475627 1024588789 /nfs/dbraw/zinc/58/87/89/1024588789.db2.gz IDLBPSAFODWWIG-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000114475627 1024588792 /nfs/dbraw/zinc/58/87/92/1024588792.db2.gz IDLBPSAFODWWIG-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009766 1024678472 /nfs/dbraw/zinc/67/84/72/1024678472.db2.gz HZVHRHKIRDTASZ-NPDDRXJXSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009766 1024678479 /nfs/dbraw/zinc/67/84/79/1024678479.db2.gz HZVHRHKIRDTASZ-NPDDRXJXSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009766 1024678484 /nfs/dbraw/zinc/67/84/84/1024678484.db2.gz HZVHRHKIRDTASZ-NPDDRXJXSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168009766 1024678487 /nfs/dbraw/zinc/67/84/87/1024678487.db2.gz HZVHRHKIRDTASZ-NPDDRXJXSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168009766 1024678496 /nfs/dbraw/zinc/67/84/96/1024678496.db2.gz HZVHRHKIRDTASZ-NPDDRXJXSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000514802293 1024754817 /nfs/dbraw/zinc/75/48/17/1024754817.db2.gz WOHZJPAXSTVFKZ-HNNXBMFYSA-N 2 1 339.321 3.626 20 0 EHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000895739792 1024778417 /nfs/dbraw/zinc/77/84/17/1024778417.db2.gz JONARJKHQWBPIF-GJZGRUSLSA-N 2 1 329.326 3.500 20 0 EHADMP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000425340167 1024797964 /nfs/dbraw/zinc/79/79/64/1024797964.db2.gz DOUAKVVRRJNAGM-MOPGFXCFSA-N 2 1 330.497 3.895 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376390 1024842386 /nfs/dbraw/zinc/84/23/86/1024842386.db2.gz ZKUDEPBLOUBWHZ-QWHCGFSZSA-N 2 1 327.453 3.725 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376390 1024842405 /nfs/dbraw/zinc/84/24/05/1024842405.db2.gz ZKUDEPBLOUBWHZ-QWHCGFSZSA-N 2 1 327.453 3.725 20 0 EHADMP Fc1ccc(/C=C/C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435374141 1024843380 /nfs/dbraw/zinc/84/33/80/1024843380.db2.gz WLIJMVDIWCQMLS-FNEOHHHZSA-N 2 1 339.458 3.878 20 0 EHADMP Fc1ccc(/C=C/C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435374141 1024843398 /nfs/dbraw/zinc/84/33/98/1024843398.db2.gz WLIJMVDIWCQMLS-FNEOHHHZSA-N 2 1 339.458 3.878 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCC2)cnn1-c1cccc(Cl)c1 ZINC000665248978 1024861584 /nfs/dbraw/zinc/86/15/84/1024861584.db2.gz HCKRZVRAORFNDQ-ZDUSSCGKSA-N 2 1 332.879 3.756 20 0 EHADMP COc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1C ZINC000435391976 1024880596 /nfs/dbraw/zinc/88/05/96/1024880596.db2.gz VDGWZVSUAGNWAA-FQEVSTJZSA-N 2 1 339.483 3.543 20 0 EHADMP COc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1C ZINC000435391976 1024880607 /nfs/dbraw/zinc/88/06/07/1024880607.db2.gz VDGWZVSUAGNWAA-FQEVSTJZSA-N 2 1 339.483 3.543 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2cccs2)cc1 ZINC000665255403 1024981489 /nfs/dbraw/zinc/98/14/89/1024981489.db2.gz RJAXRDQZNFAHFL-XPGWFJOJSA-N 2 1 344.524 3.813 20 0 EHADMP CC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011797 1025021583 /nfs/dbraw/zinc/02/15/83/1025021583.db2.gz SNDVSTODYSTESX-RMFSNUHRSA-N 2 1 329.532 3.502 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C)cc1OC ZINC000474474996 1025028230 /nfs/dbraw/zinc/02/82/30/1025028230.db2.gz SXAIUYJKCMQBTE-SJORKVTESA-N 2 1 336.520 3.904 20 0 EHADMP CC(C)O[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000428204517 1025043330 /nfs/dbraw/zinc/04/33/30/1025043330.db2.gz JDDUHWQJIQBKMK-FPOVZHCZSA-N 2 1 330.516 3.816 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474492628 1025051680 /nfs/dbraw/zinc/05/16/80/1025051680.db2.gz SIOHTVVKTAFYIY-INIZCTEOSA-N 2 1 328.422 3.960 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000515234903 1025112924 /nfs/dbraw/zinc/11/29/24/1025112924.db2.gz ORYPZVJDUSEWSB-DPCKTDSQSA-N 2 1 336.545 3.662 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000515234903 1025112932 /nfs/dbraw/zinc/11/29/32/1025112932.db2.gz ORYPZVJDUSEWSB-DPCKTDSQSA-N 2 1 336.545 3.662 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000443977574 1025116950 /nfs/dbraw/zinc/11/69/50/1025116950.db2.gz DWSIYGLOYOTUAH-APWZRJJASA-N 2 1 338.923 3.875 20 0 EHADMP CC(C)(CO)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925130061 1025144322 /nfs/dbraw/zinc/14/43/22/1025144322.db2.gz MDRNUTCKIZVNKK-SEJPIABJSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)C[NH+]1CCCC1 ZINC000435785942 1025148046 /nfs/dbraw/zinc/14/80/46/1025148046.db2.gz FHBMTBGNXCCRGX-SFHVURJKSA-N 2 1 338.499 3.671 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1(c2ccccc2)CCCC1 ZINC000428241828 1025162468 /nfs/dbraw/zinc/16/24/68/1025162468.db2.gz LBDUIOXTEVSKQF-CTNGQTDRSA-N 2 1 344.543 3.713 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000157931689 1025211337 /nfs/dbraw/zinc/21/13/37/1025211337.db2.gz KWIJYZHLLIQOIP-IBGZPJMESA-N 2 1 329.532 3.757 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346838881 1025229048 /nfs/dbraw/zinc/22/90/48/1025229048.db2.gz RTPBERPEQQNCCF-FFZOFVMBSA-N 2 1 338.499 3.555 20 0 EHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1cccnc1 ZINC000346854818 1025243050 /nfs/dbraw/zinc/24/30/50/1025243050.db2.gz UOBFYLXDGDHCNO-DFQSSKMNSA-N 2 1 337.467 3.742 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453266077 1025305506 /nfs/dbraw/zinc/30/55/06/1025305506.db2.gz YNBMSTZWIPRGDB-IKGGRYGDSA-N 2 1 344.421 3.769 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453266077 1025305518 /nfs/dbraw/zinc/30/55/18/1025305518.db2.gz YNBMSTZWIPRGDB-IKGGRYGDSA-N 2 1 344.421 3.769 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@H]1c1ccccc1 ZINC000453361359 1025369526 /nfs/dbraw/zinc/36/95/26/1025369526.db2.gz BAJZTDOOJQUPDE-MOPGFXCFSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)C[C@H]1c1ccccc1 ZINC000453361359 1025369531 /nfs/dbraw/zinc/36/95/31/1025369531.db2.gz BAJZTDOOJQUPDE-MOPGFXCFSA-N 2 1 330.516 3.743 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000657357598 1025436624 /nfs/dbraw/zinc/43/66/24/1025436624.db2.gz BGUVHNSQIYTUOL-UHFFFAOYSA-N 2 1 340.515 3.959 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000530224694 1025500093 /nfs/dbraw/zinc/50/00/93/1025500093.db2.gz WOTOOMJGQBMEDH-QKKBWIMNSA-N 2 1 339.458 3.706 20 0 EHADMP CCc1cccc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)oc21 ZINC000657363778 1025529718 /nfs/dbraw/zinc/52/97/18/1025529718.db2.gz BXQLQVAFBARWMQ-MRXNPFEDSA-N 2 1 342.483 3.586 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC)cc2C)[C@H](C)C1 ZINC000657363726 1025529886 /nfs/dbraw/zinc/52/98/86/1025529886.db2.gz RJEXFMBBCZEPQE-WIYYLYMNSA-N 2 1 348.531 3.620 20 0 EHADMP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436285819 1025534837 /nfs/dbraw/zinc/53/48/37/1025534837.db2.gz RBEJHUFLNQTUSV-YLJYHZDGSA-N 2 1 332.536 3.782 20 0 EHADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000442870008 1025541578 /nfs/dbraw/zinc/54/15/78/1025541578.db2.gz CLAQGSWOJJWCDM-FQEVSTJZSA-N 2 1 343.515 3.746 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1(C)C ZINC000442874977 1025548528 /nfs/dbraw/zinc/54/85/28/1025548528.db2.gz NGWVKUSBHANFOM-FQEVSTJZSA-N 2 1 329.532 3.534 20 0 EHADMP CCC[N@H+](Cc1cn(-c2ccccc2)nc1C(C)C)C1CC[NH2+]CC1 ZINC000347190841 1025652988 /nfs/dbraw/zinc/65/29/88/1025652988.db2.gz DYVNPSRNRRGACV-UHFFFAOYSA-N 2 1 340.515 3.960 20 0 EHADMP CCC[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)C)C1CC[NH2+]CC1 ZINC000347190841 1025652998 /nfs/dbraw/zinc/65/29/98/1025652998.db2.gz DYVNPSRNRRGACV-UHFFFAOYSA-N 2 1 340.515 3.960 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374104 1025669302 /nfs/dbraw/zinc/66/93/02/1025669302.db2.gz DYROMAXHWVOOEC-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374104 1025669308 /nfs/dbraw/zinc/66/93/08/1025669308.db2.gz DYROMAXHWVOOEC-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240985 1025674239 /nfs/dbraw/zinc/67/42/39/1025674239.db2.gz VWNZTLLCTKYOKN-VAMGGRTRSA-N 2 1 328.500 3.588 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240985 1025674245 /nfs/dbraw/zinc/67/42/45/1025674245.db2.gz VWNZTLLCTKYOKN-VAMGGRTRSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1Br ZINC000392297496 1025695840 /nfs/dbraw/zinc/69/58/40/1025695840.db2.gz VPYRQLFSGYKHGS-NSHDSACASA-N 2 1 327.241 3.501 20 0 EHADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000530354824 1025697430 /nfs/dbraw/zinc/69/74/30/1025697430.db2.gz KDRRSCNQRJWWKY-AWEZNQCLSA-N 2 1 326.271 3.880 20 0 EHADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104482 1025715418 /nfs/dbraw/zinc/71/54/18/1025715418.db2.gz DPXLDDOVVYDOBA-PMACEKPBSA-N 2 1 344.524 3.816 20 0 EHADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104482 1025715431 /nfs/dbraw/zinc/71/54/31/1025715431.db2.gz DPXLDDOVVYDOBA-PMACEKPBSA-N 2 1 344.524 3.816 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639505698 1025787454 /nfs/dbraw/zinc/78/74/54/1025787454.db2.gz RVGOJMVNGYEKSV-QGZVFWFLSA-N 2 1 327.472 3.814 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000639505698 1025787472 /nfs/dbraw/zinc/78/74/72/1025787472.db2.gz RVGOJMVNGYEKSV-QGZVFWFLSA-N 2 1 327.472 3.814 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc3ncccc3c2)[C@H](c2ccccc2)C1 ZINC000647248515 1025908739 /nfs/dbraw/zinc/90/87/39/1025908739.db2.gz FAHYNNWPARGFFD-RTWAWAEBSA-N 2 1 331.463 3.670 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)c1cccc(CO)c1)[N@@H+](C)Cc1ccccc1 ZINC000122068860 1026174086 /nfs/dbraw/zinc/17/40/86/1026174086.db2.gz MRFSYUUPNBIFFK-ROUUACIJSA-N 2 1 326.484 3.740 20 0 EHADMP COCc1csc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657428865 1026250780 /nfs/dbraw/zinc/25/07/80/1026250780.db2.gz CGMURTXXVOTOBH-APWZRJJASA-N 2 1 344.524 3.895 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000582449549 1026289304 /nfs/dbraw/zinc/28/93/04/1026289304.db2.gz HDZPOOVHSJQKMA-VAMGGRTRSA-N 2 1 330.516 3.549 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000582456160 1026317358 /nfs/dbraw/zinc/31/73/58/1026317358.db2.gz DXSZNNCJXIBSJZ-CEWLAPEOSA-N 2 1 330.516 3.693 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000122251325 1026335257 /nfs/dbraw/zinc/33/52/57/1026335257.db2.gz JGJDXIIMWADLMG-WMQCIHAUSA-N 2 1 348.531 3.873 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000342588331 1026374868 /nfs/dbraw/zinc/37/48/68/1026374868.db2.gz DILBHOZIBFHOAG-UONOGXRCSA-N 2 1 325.884 3.659 20 0 EHADMP CC(=O)[C@@H]1CCCCN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059795 1026402541 /nfs/dbraw/zinc/40/25/41/1026402541.db2.gz HFYRHORMUWKGMK-JWWGGVBKSA-N 2 1 328.500 3.872 20 0 EHADMP CC(=O)[C@@H]1CCCCN1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059795 1026402549 /nfs/dbraw/zinc/40/25/49/1026402549.db2.gz HFYRHORMUWKGMK-JWWGGVBKSA-N 2 1 328.500 3.872 20 0 EHADMP Fc1ccc2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000475265350 1026419283 /nfs/dbraw/zinc/41/92/83/1026419283.db2.gz IKVVNWYSMGUPMZ-QGZVFWFLSA-N 2 1 337.442 3.919 20 0 EHADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000475270108 1026432709 /nfs/dbraw/zinc/43/27/09/1026432709.db2.gz OUTJDHSRTLVKJN-GOSISDBHSA-N 2 1 349.453 3.986 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C[NH+]1CCCCC1 ZINC000125610530 1027098526 /nfs/dbraw/zinc/09/85/26/1027098526.db2.gz NPWPCLMPSUQCGP-QZTJIDSGSA-N 2 1 343.515 3.586 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000342805833 1027237238 /nfs/dbraw/zinc/23/72/38/1027237238.db2.gz KIIWGTXBWFKNGC-HNNXBMFYSA-N 2 1 345.450 3.950 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccncn1 ZINC000453071093 1027284010 /nfs/dbraw/zinc/28/40/10/1027284010.db2.gz WSKQWRNVXMSUSV-FGTMMUONSA-N 2 1 338.499 3.805 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ncc(-c2ccccc2)n1C ZINC000453071555 1027288118 /nfs/dbraw/zinc/28/81/18/1027288118.db2.gz CRHAGYYQTPPTNY-KRWDZBQOSA-N 2 1 348.494 4.000 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2sccc21 ZINC000453107577 1027376395 /nfs/dbraw/zinc/37/63/95/1027376395.db2.gz LKUPADCFPIBBHO-CRAIPNDOSA-N 2 1 335.561 3.550 20 0 EHADMP Clc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304902 1027452962 /nfs/dbraw/zinc/45/29/62/1027452962.db2.gz OXQNKVZLHMBTBC-CXAGYDPISA-N 2 1 343.298 3.756 20 0 EHADMP Clc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304902 1027452974 /nfs/dbraw/zinc/45/29/74/1027452974.db2.gz OXQNKVZLHMBTBC-CXAGYDPISA-N 2 1 343.298 3.756 20 0 EHADMP c1ccc(C[N@H+](CCCCC2CCOCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420304572 1027454058 /nfs/dbraw/zinc/45/40/58/1027454058.db2.gz FCLOLRSRGFAWAL-OAQYLSRUSA-N 2 1 345.531 3.623 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000420304197 1027454086 /nfs/dbraw/zinc/45/40/86/1027454086.db2.gz LFEXQVWHTFMCGD-YLJYHZDGSA-N 2 1 328.431 3.714 20 0 EHADMP Cc1ccccc1CCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420318923 1027466536 /nfs/dbraw/zinc/46/65/36/1027466536.db2.gz WVQPIVHDFPYLOW-QFIPXVFZSA-N 2 1 337.511 3.967 20 0 EHADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337796 1027469452 /nfs/dbraw/zinc/46/94/52/1027469452.db2.gz XAZDTIMFTVHCTC-QWHCGFSZSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337796 1027469460 /nfs/dbraw/zinc/46/94/60/1027469460.db2.gz XAZDTIMFTVHCTC-QWHCGFSZSA-N 2 1 343.298 3.742 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C3)cs1 ZINC000420364547 1027491816 /nfs/dbraw/zinc/49/18/16/1027491816.db2.gz CYXDCHRZJJPIOX-ZDUSSCGKSA-N 2 1 333.526 3.538 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000453172628 1027492362 /nfs/dbraw/zinc/49/23/62/1027492362.db2.gz ICIGXNMCDXZBEQ-PLACYPQZSA-N 2 1 342.527 3.977 20 0 EHADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420366595 1027492348 /nfs/dbraw/zinc/49/23/48/1027492348.db2.gz GFQDJDBYPCMEFB-IAGOWNOFSA-N 2 1 336.907 3.821 20 0 EHADMP Nc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000420382873 1027504315 /nfs/dbraw/zinc/50/43/15/1027504315.db2.gz YWMWUZMHRIONBB-IFMALSPDSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000420382873 1027504328 /nfs/dbraw/zinc/50/43/28/1027504328.db2.gz YWMWUZMHRIONBB-IFMALSPDSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000420382873 1027504340 /nfs/dbraw/zinc/50/43/40/1027504340.db2.gz YWMWUZMHRIONBB-IFMALSPDSA-N 2 1 335.495 3.755 20 0 EHADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501847681 1027584093 /nfs/dbraw/zinc/58/40/93/1027584093.db2.gz AZMQAWASNBYUEK-OAQYLSRUSA-N 2 1 349.538 3.871 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237526577 1027675549 /nfs/dbraw/zinc/67/55/49/1027675549.db2.gz RYUYINUVCHQNQO-KRWDZBQOSA-N 2 1 343.515 3.779 20 0 EHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655758139 1027700994 /nfs/dbraw/zinc/70/09/94/1027700994.db2.gz RJTZJJAQSBRLOO-IRLDBZIGSA-N 2 1 344.543 3.734 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@H]1C[NH3+] ZINC000422559941 1027788204 /nfs/dbraw/zinc/78/82/04/1027788204.db2.gz FGZLGTABISDPPM-SPYBWZPUSA-N 2 1 327.447 3.693 20 0 EHADMP c1ccc2[nH]c(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)nc2c1 ZINC000131852358 1027829285 /nfs/dbraw/zinc/82/92/85/1027829285.db2.gz GZDWKRNKXIVAKK-UHFFFAOYSA-N 2 1 326.488 3.651 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000420905431 1027849228 /nfs/dbraw/zinc/84/92/28/1027849228.db2.gz QTWNUBJNFNOFRR-JOCHJYFZSA-N 2 1 336.479 3.638 20 0 EHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000420905431 1027849252 /nfs/dbraw/zinc/84/92/52/1027849252.db2.gz QTWNUBJNFNOFRR-JOCHJYFZSA-N 2 1 336.479 3.638 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000420905433 1027850458 /nfs/dbraw/zinc/85/04/58/1027850458.db2.gz QTWNUBJNFNOFRR-QFIPXVFZSA-N 2 1 336.479 3.638 20 0 EHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000420905433 1027850476 /nfs/dbraw/zinc/85/04/76/1027850476.db2.gz QTWNUBJNFNOFRR-QFIPXVFZSA-N 2 1 336.479 3.638 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000414683259 1027857818 /nfs/dbraw/zinc/85/78/18/1027857818.db2.gz ZTSXSCDTDLLQHL-JKIFEVAISA-N 2 1 337.305 3.974 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422732183 1027878859 /nfs/dbraw/zinc/87/88/59/1027878859.db2.gz NIBWCIAFXNGBFH-IIBYNOLFSA-N 2 1 340.515 3.582 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000339071856 1027885797 /nfs/dbraw/zinc/88/57/97/1027885797.db2.gz SVGJSYPKPWOBKI-YADHBBJMSA-N 3 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000339071856 1027885816 /nfs/dbraw/zinc/88/58/16/1027885816.db2.gz SVGJSYPKPWOBKI-YADHBBJMSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000339071856 1027885836 /nfs/dbraw/zinc/88/58/36/1027885836.db2.gz SVGJSYPKPWOBKI-YADHBBJMSA-N 2 1 341.543 3.635 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422774246 1027930733 /nfs/dbraw/zinc/93/07/33/1027930733.db2.gz WFZALNWNFHMZTG-WOJBJXKFSA-N 2 1 332.451 3.509 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690475 1027932857 /nfs/dbraw/zinc/93/28/57/1027932857.db2.gz ICSWAIMCGQEKLV-IGCXYCKISA-N 2 1 343.298 3.755 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690475 1027932867 /nfs/dbraw/zinc/93/28/67/1027932867.db2.gz ICSWAIMCGQEKLV-IGCXYCKISA-N 2 1 343.298 3.755 20 0 EHADMP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422922413 1028055520 /nfs/dbraw/zinc/05/55/20/1028055520.db2.gz SQIMGIOAMKAPMK-NIKGAXFTSA-N 2 1 332.875 3.576 20 0 EHADMP C1C[N@H+](C2CCCCC2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000657678529 1028060669 /nfs/dbraw/zinc/06/06/69/1028060669.db2.gz SAVRIILNBSMQQV-IBGZPJMESA-N 2 1 333.564 3.780 20 0 EHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc2ccccc21 ZINC000422935200 1028063107 /nfs/dbraw/zinc/06/31/07/1028063107.db2.gz DIVBKZCOGITARZ-UTKZUKDTSA-N 2 1 334.463 3.767 20 0 EHADMP Brc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000533534598 1028065366 /nfs/dbraw/zinc/06/53/66/1028065366.db2.gz SVSPUXLWIJZDFB-YJBOKZPZSA-N 2 1 349.316 3.898 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422940349 1028068009 /nfs/dbraw/zinc/06/80/09/1028068009.db2.gz NBDGDEODBBIZEO-KKXDTOCCSA-N 2 1 326.440 3.889 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515353 1028080852 /nfs/dbraw/zinc/08/08/52/1028080852.db2.gz FBPJABWRLBBJPY-RDJZCZTQSA-N 2 1 343.496 3.742 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515353 1028080856 /nfs/dbraw/zinc/08/08/56/1028080856.db2.gz FBPJABWRLBBJPY-RDJZCZTQSA-N 2 1 343.496 3.742 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515353 1028080876 /nfs/dbraw/zinc/08/08/76/1028080876.db2.gz FBPJABWRLBBJPY-RDJZCZTQSA-N 2 1 343.496 3.742 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515353 1028080896 /nfs/dbraw/zinc/08/08/96/1028080896.db2.gz FBPJABWRLBBJPY-RDJZCZTQSA-N 2 1 343.496 3.742 20 0 EHADMP C[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000422990464 1028100552 /nfs/dbraw/zinc/10/05/52/1028100552.db2.gz CAQJTGBRYDMHQZ-UTKZUKDTSA-N 2 1 341.499 3.532 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)cc1F ZINC000423117934 1028188923 /nfs/dbraw/zinc/18/89/23/1028188923.db2.gz XWHZCGFIACKKQO-VXXKDZQQSA-N 2 1 342.458 3.628 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1C(C)(C)C ZINC000533639450 1028212190 /nfs/dbraw/zinc/21/21/90/1028212190.db2.gz FLBSHRUOCMEJHV-MSOLQXFVSA-N 2 1 332.532 3.872 20 0 EHADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000503925308 1028215260 /nfs/dbraw/zinc/21/52/60/1028215260.db2.gz CIKDPHYEOMMHPD-KRWDZBQOSA-N 2 1 339.483 3.895 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000503925308 1028215277 /nfs/dbraw/zinc/21/52/77/1028215277.db2.gz CIKDPHYEOMMHPD-KRWDZBQOSA-N 2 1 339.483 3.895 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134510 1028222071 /nfs/dbraw/zinc/22/20/71/1028222071.db2.gz MHRFYVPGBRDVOR-ZNOIYHFQSA-N 2 1 336.414 3.807 20 0 EHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423183328 1028229012 /nfs/dbraw/zinc/22/90/12/1028229012.db2.gz GJEKFXYRUOUFKL-HXUWFJFHSA-N 2 1 339.483 3.682 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644937 1125280692 /nfs/dbraw/zinc/28/06/92/1125280692.db2.gz ICWPFWZKYYTJLM-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644937 1125280698 /nfs/dbraw/zinc/28/06/98/1125280698.db2.gz ICWPFWZKYYTJLM-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1F ZINC000423184065 1028231533 /nfs/dbraw/zinc/23/15/33/1028231533.db2.gz HQQVXENMJLPLPE-CQSZACIVSA-N 2 1 333.476 3.773 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCCC1 ZINC000423185715 1028232136 /nfs/dbraw/zinc/23/21/36/1028232136.db2.gz VXFXLSRZGHFRIT-HBMCJLEFSA-N 2 1 341.543 3.681 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644937 1125280701 /nfs/dbraw/zinc/28/07/01/1125280701.db2.gz ICWPFWZKYYTJLM-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644937 1125280705 /nfs/dbraw/zinc/28/07/05/1125280705.db2.gz ICWPFWZKYYTJLM-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2c1c(Br)ccc2F)[C@@H]1CCC[NH2+]C1 ZINC000423205707 1028252295 /nfs/dbraw/zinc/25/22/95/1028252295.db2.gz BDRUTXJVEKDAEE-RWSFTLGLSA-N 2 1 341.268 3.553 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1OC(F)F ZINC000423194930 1028264477 /nfs/dbraw/zinc/26/44/77/1028264477.db2.gz ZOUWPBZQQUQCJP-AWEZNQCLSA-N 2 1 335.398 3.514 20 0 EHADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423194172 1028266080 /nfs/dbraw/zinc/26/60/80/1028266080.db2.gz WQSIQFIRJBLJGF-ZKIDJSGLSA-N 2 1 348.918 3.723 20 0 EHADMP Brc1ccsc1[C@H]([NH2+]CC1C[NH2+]C1)C1CCCCC1 ZINC000423311975 1028346455 /nfs/dbraw/zinc/34/64/55/1028346455.db2.gz CHFQLFVZPQKRFM-CQSZACIVSA-N 2 1 343.334 3.941 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423339853 1028376351 /nfs/dbraw/zinc/37/63/51/1028376351.db2.gz ZUCAHHCNNZQGPP-DVJZZOLTSA-N 2 1 341.318 3.559 20 0 EHADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964169 1028386841 /nfs/dbraw/zinc/38/68/41/1028386841.db2.gz JWCOTYLZGCHSIL-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582964169 1028386861 /nfs/dbraw/zinc/38/68/61/1028386861.db2.gz JWCOTYLZGCHSIL-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000502591829 1028389677 /nfs/dbraw/zinc/38/96/77/1028389677.db2.gz CGPAIISGASXGGL-ZACQAIPSSA-N 2 1 332.479 3.539 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479459 1028461452 /nfs/dbraw/zinc/46/14/52/1028461452.db2.gz VHRCIEVOVRPASM-XHDPSFHLSA-N 2 1 336.277 3.635 20 0 EHADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479890 1028461756 /nfs/dbraw/zinc/46/17/56/1028461756.db2.gz VLKHHLWSQZSXEX-ZAAXVRCTSA-N 2 1 341.474 3.827 20 0 EHADMP C[C@@H]1C[N@H+]([C@H](Cc2cccnc2)c2ccc(Cl)cc2)C[C@@]1(C)C[NH3+] ZINC000423511874 1028488429 /nfs/dbraw/zinc/48/84/29/1028488429.db2.gz PJWBZFMQIJNWMI-CDHQVMDDSA-N 2 1 343.902 3.936 20 0 EHADMP CC(C)[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(F)cn1 ZINC000423517704 1028492092 /nfs/dbraw/zinc/49/20/92/1028492092.db2.gz BUHWTNDLGGISMJ-LEWGMDFTSA-N 2 1 331.479 3.661 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423527888 1028497639 /nfs/dbraw/zinc/49/76/39/1028497639.db2.gz WGFGWMFJCNQDKJ-UZLBHIALSA-N 2 1 326.440 3.508 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423527886 1028498722 /nfs/dbraw/zinc/49/87/22/1028498722.db2.gz WGFGWMFJCNQDKJ-OXJNMPFZSA-N 2 1 326.440 3.508 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2 ZINC000162290933 1028556921 /nfs/dbraw/zinc/55/69/21/1028556921.db2.gz IJVYUQWKKCANDK-HXUWFJFHSA-N 2 1 336.483 3.648 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c2C1 ZINC000074563426 1028624984 /nfs/dbraw/zinc/62/49/84/1028624984.db2.gz OEIWEMOXSYUPTG-INIZCTEOSA-N 2 1 329.488 3.615 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c2C1 ZINC000074563426 1028624986 /nfs/dbraw/zinc/62/49/86/1028624986.db2.gz OEIWEMOXSYUPTG-INIZCTEOSA-N 2 1 329.488 3.615 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000237350762 1028736340 /nfs/dbraw/zinc/73/63/40/1028736340.db2.gz SOSIIHQNQFBICD-MRXNPFEDSA-N 2 1 329.488 3.661 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C ZINC000248460389 1028912561 /nfs/dbraw/zinc/91/25/61/1028912561.db2.gz WJWVJAYHAFZPOW-GHTZIAJQSA-N 2 1 338.495 3.721 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000524156057 1028922676 /nfs/dbraw/zinc/92/26/76/1028922676.db2.gz DYULTOYUTCPNSJ-CQSZACIVSA-N 2 1 348.516 3.911 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000524156057 1028922691 /nfs/dbraw/zinc/92/26/91/1028922691.db2.gz DYULTOYUTCPNSJ-CQSZACIVSA-N 2 1 348.516 3.911 20 0 EHADMP COC(=O)CC1CC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000424290680 1028930882 /nfs/dbraw/zinc/93/08/82/1028930882.db2.gz BJPKUMQJVGIHAU-MUYFXNHWSA-N 2 1 344.499 3.581 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245637059 1028953532 /nfs/dbraw/zinc/95/35/32/1028953532.db2.gz AAEBSVMFULMGRK-QLIIJSOBSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245637059 1028953550 /nfs/dbraw/zinc/95/35/50/1028953550.db2.gz AAEBSVMFULMGRK-QLIIJSOBSA-N 2 1 338.499 3.575 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1coc(-c3ccc(F)c(F)c3)n1)CC[NH2+]CC2 ZINC000424284136 1028958590 /nfs/dbraw/zinc/95/85/90/1028958590.db2.gz CRLRVDAKAFTXLW-CYBMUJFWSA-N 2 1 347.409 3.584 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]2C1 ZINC000424324048 1028970692 /nfs/dbraw/zinc/97/06/92/1028970692.db2.gz WPZZMTGEZDBYRW-HZBOWWNCSA-N 2 1 342.527 3.833 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C[C@H]2C1 ZINC000424324048 1028970707 /nfs/dbraw/zinc/97/07/07/1028970707.db2.gz WPZZMTGEZDBYRW-HZBOWWNCSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)CCO1 ZINC000249015387 1028976871 /nfs/dbraw/zinc/97/68/71/1028976871.db2.gz JDNRQCXSXKOVFF-UZLBHIALSA-N 2 1 340.467 3.668 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)CCO1 ZINC000249015387 1028976884 /nfs/dbraw/zinc/97/68/84/1028976884.db2.gz JDNRQCXSXKOVFF-UZLBHIALSA-N 2 1 340.467 3.668 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424328247 1028977194 /nfs/dbraw/zinc/97/71/94/1028977194.db2.gz ZNVZVLFWGJWGEU-MAUKXSAKSA-N 2 1 340.496 3.858 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245664298 1028988117 /nfs/dbraw/zinc/98/81/17/1028988117.db2.gz GIKCSTBDZBWDMF-YSFYHYPLSA-N 2 1 344.543 3.816 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC[C@@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502190 1029112114 /nfs/dbraw/zinc/11/21/14/1029112114.db2.gz BIAOWOOLGLMTDP-ACRUOGEOSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC[C@@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502190 1029112122 /nfs/dbraw/zinc/11/21/22/1029112122.db2.gz BIAOWOOLGLMTDP-ACRUOGEOSA-N 2 1 340.511 3.731 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1O ZINC000414799462 1029172243 /nfs/dbraw/zinc/17/22/43/1029172243.db2.gz DRTROFKJAYJTET-MRXNPFEDSA-N 2 1 334.504 3.624 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001167659007 1029210177 /nfs/dbraw/zinc/21/01/77/1029210177.db2.gz MJQNGAKLQUZFIL-UIFIKXQLSA-N 2 1 334.548 3.921 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271873145 1029211074 /nfs/dbraw/zinc/21/10/74/1029211074.db2.gz NFAOKGVROQPNPN-HNNXBMFYSA-N 2 1 341.524 3.955 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000414811603 1029308584 /nfs/dbraw/zinc/30/85/84/1029308584.db2.gz PVWVLMXZMIGPQP-SFHVURJKSA-N 3 1 337.511 3.503 20 0 EHADMP C[C@H]([NH3+])c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000414811603 1029308599 /nfs/dbraw/zinc/30/85/99/1029308599.db2.gz PVWVLMXZMIGPQP-SFHVURJKSA-N 2 1 337.511 3.503 20 0 EHADMP COc1ccsc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272139499 1029329039 /nfs/dbraw/zinc/32/90/39/1029329039.db2.gz AZOLMPYKHIAEFE-DOTOQJQBSA-N 2 1 330.497 3.757 20 0 EHADMP COc1ccsc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272139499 1029329051 /nfs/dbraw/zinc/32/90/51/1029329051.db2.gz AZOLMPYKHIAEFE-DOTOQJQBSA-N 2 1 330.497 3.757 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000348521641 1029362735 /nfs/dbraw/zinc/36/27/35/1029362735.db2.gz RGAMRYYIIWFQOL-VQTJNVASSA-N 2 1 327.472 3.699 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414816733 1029370778 /nfs/dbraw/zinc/37/07/78/1029370778.db2.gz QIJCTWVDVXATCW-RISCZKNCSA-N 2 1 331.273 3.626 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC3 ZINC000272427075 1029456005 /nfs/dbraw/zinc/45/60/05/1029456005.db2.gz MRGTVVBEPUQERS-OOKSDGMUSA-N 2 1 337.511 3.939 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC3 ZINC000272427075 1029456013 /nfs/dbraw/zinc/45/60/13/1029456013.db2.gz MRGTVVBEPUQERS-OOKSDGMUSA-N 2 1 337.511 3.939 20 0 EHADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272446042 1029461838 /nfs/dbraw/zinc/46/18/38/1029461838.db2.gz UXORSNKOQBXTBN-HGJUEJDCSA-N 2 1 328.500 3.729 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000272628378 1029541378 /nfs/dbraw/zinc/54/13/78/1029541378.db2.gz AIVLSSOEWDKFPZ-FKBYEOEOSA-N 2 1 335.495 3.514 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750985 1029639549 /nfs/dbraw/zinc/63/95/49/1029639549.db2.gz MITGGRVNMSBOLA-LJQBUTKESA-N 2 1 334.891 3.586 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C[C@H](C)O1 ZINC000237632306 1029687857 /nfs/dbraw/zinc/68/78/57/1029687857.db2.gz COHGHFOFTSSGTR-OTWHNJEPSA-N 2 1 328.500 3.742 20 0 EHADMP CCSc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707911 1030007671 /nfs/dbraw/zinc/00/76/71/1030007671.db2.gz PYOBAHBIAYJACR-YQVWRLOYSA-N 2 1 334.529 3.517 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453278948 1030019273 /nfs/dbraw/zinc/01/92/73/1030019273.db2.gz DILFQCHBTCXTND-PMXSJFBMSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Oc1cccnc1 ZINC000650709193 1030025041 /nfs/dbraw/zinc/02/50/41/1030025041.db2.gz ITSGFHFXECEPSW-RXVVDRJESA-N 2 1 337.467 3.743 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c2nccn21 ZINC000453333710 1030112210 /nfs/dbraw/zinc/11/22/10/1030112210.db2.gz BWBKAJUOETVFIH-CMTQZCSUSA-N 2 1 338.499 3.922 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531947137 1030115470 /nfs/dbraw/zinc/11/54/70/1030115470.db2.gz GFPZFQXGQMLVBW-DLBZAZTESA-N 2 1 343.515 3.734 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(Br)cc2Cl)[C@@H](C)C1 ZINC000531954755 1030128968 /nfs/dbraw/zinc/12/89/68/1030128968.db2.gz ZHDTUEVLQZMDAY-XHDPSFHLSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000481936572 1030131108 /nfs/dbraw/zinc/13/11/08/1030131108.db2.gz DBZNIZKANODEOY-CXAGYDPISA-N 2 1 344.421 3.922 20 0 EHADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772010 1030191442 /nfs/dbraw/zinc/19/14/42/1030191442.db2.gz IOKMDEUOWKHKHU-ICSRJNTNSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)c(F)c1 ZINC000453374281 1030196507 /nfs/dbraw/zinc/19/65/07/1030196507.db2.gz XFJCHCXMAPZTEI-NDNKKMJESA-N 2 1 341.268 3.864 20 0 EHADMP CCC(C)(C)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453405582 1030215265 /nfs/dbraw/zinc/21/52/65/1030215265.db2.gz JJSCEOVUSFBYKJ-ACDBMABISA-N 2 1 330.516 3.977 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1)C1CC1 ZINC000453407693 1030217393 /nfs/dbraw/zinc/21/73/93/1030217393.db2.gz SGCVWNGXUUTYCU-FQEVSTJZSA-N 2 1 327.447 3.774 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3ccccc3s2)C1 ZINC000650723986 1030217693 /nfs/dbraw/zinc/21/76/93/1030217693.db2.gz WMVJTXURBITSHU-NJAFHUGGSA-N 2 1 330.497 3.762 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)o1 ZINC000447582335 1030316841 /nfs/dbraw/zinc/31/68/41/1030316841.db2.gz YZPBQYQMPNTGPV-ACDBMABISA-N 2 1 339.483 3.619 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000526083548 1030406847 /nfs/dbraw/zinc/40/68/47/1030406847.db2.gz RSIPZTMCRLXJQL-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000526083548 1030406858 /nfs/dbraw/zinc/40/68/58/1030406858.db2.gz RSIPZTMCRLXJQL-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000482441584 1030418536 /nfs/dbraw/zinc/41/85/36/1030418536.db2.gz STWFMCHEWULCTN-PZJWPPBQSA-N 2 1 346.559 3.999 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3csc(C)n3)cc2)[C@H](C)C1 ZINC000532209073 1030496000 /nfs/dbraw/zinc/49/60/00/1030496000.db2.gz SBLOJGZEYNPVQB-RDTXWAMCSA-N 2 1 329.513 3.938 20 0 EHADMP CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787275 1030554683 /nfs/dbraw/zinc/55/46/83/1030554683.db2.gz SYFGLRZGQHWTMO-RTBURBONSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787275 1030554684 /nfs/dbraw/zinc/55/46/84/1030554684.db2.gz SYFGLRZGQHWTMO-RTBURBONSA-N 2 1 328.500 3.588 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@H](C)C1 ZINC000093638851 1030643915 /nfs/dbraw/zinc/64/39/15/1030643915.db2.gz WTJQACIAHYSPCY-DYVFJYSZSA-N 2 1 348.441 3.517 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@H](C)C1 ZINC000093638851 1030643925 /nfs/dbraw/zinc/64/39/25/1030643925.db2.gz WTJQACIAHYSPCY-DYVFJYSZSA-N 2 1 348.441 3.517 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@H](C)C1 ZINC000093638851 1030643931 /nfs/dbraw/zinc/64/39/31/1030643931.db2.gz WTJQACIAHYSPCY-DYVFJYSZSA-N 2 1 348.441 3.517 20 0 EHADMP Clc1ccc(C[N@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000482698631 1030649920 /nfs/dbraw/zinc/64/99/20/1030649920.db2.gz VXVAVXJZWXCTBU-UHFFFAOYSA-N 2 1 349.950 3.724 20 0 EHADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000527115936 1030662041 /nfs/dbraw/zinc/66/20/41/1030662041.db2.gz IBTOAXGZKYSDPU-TZIWHRDSSA-N 2 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCC[C@@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115936 1030662052 /nfs/dbraw/zinc/66/20/52/1030662052.db2.gz IBTOAXGZKYSDPU-TZIWHRDSSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115936 1030662060 /nfs/dbraw/zinc/66/20/60/1030662060.db2.gz IBTOAXGZKYSDPU-TZIWHRDSSA-N 3 1 349.607 3.941 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647914 1030788920 /nfs/dbraw/zinc/78/89/20/1030788920.db2.gz KJUXFOARHACTRW-SFHVURJKSA-N 2 1 328.500 3.564 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647914 1030788939 /nfs/dbraw/zinc/78/89/39/1030788939.db2.gz KJUXFOARHACTRW-SFHVURJKSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647914 1030788952 /nfs/dbraw/zinc/78/89/52/1030788952.db2.gz KJUXFOARHACTRW-SFHVURJKSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000537647914 1030788964 /nfs/dbraw/zinc/78/89/64/1030788964.db2.gz KJUXFOARHACTRW-SFHVURJKSA-N 2 1 328.500 3.564 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2s1 ZINC000527351409 1030843597 /nfs/dbraw/zinc/84/35/97/1030843597.db2.gz JXNWZCUCVSTGGG-NVXWUHKLSA-N 2 1 332.513 3.645 20 0 EHADMP c1[nH+]c2cc(NC3(c4ccccn4)CC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168149474 1030928839 /nfs/dbraw/zinc/92/88/39/1030928839.db2.gz RYCFTJUWJVVWCF-QGZVFWFLSA-N 2 1 347.466 3.847 20 0 EHADMP CCOc1ccc(C2=CC[N@H+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000583879825 1031024133 /nfs/dbraw/zinc/02/41/33/1031024133.db2.gz DHDRPTNHKRHWRO-UHFFFAOYSA-N 2 1 325.456 3.541 20 0 EHADMP CCOc1ccc(C2=CC[N@@H+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000583879825 1031024149 /nfs/dbraw/zinc/02/41/49/1031024149.db2.gz DHDRPTNHKRHWRO-UHFFFAOYSA-N 2 1 325.456 3.541 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)[nH+]1 ZINC000343471930 1031036177 /nfs/dbraw/zinc/03/61/77/1031036177.db2.gz PQRXEYJSUWWXGX-QWFCFKBJSA-N 2 1 343.515 3.544 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296586 1031096852 /nfs/dbraw/zinc/09/68/52/1031096852.db2.gz RNLNNVVRAIEFTN-HXUWFJFHSA-N 2 1 328.500 3.639 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296586 1031096872 /nfs/dbraw/zinc/09/68/72/1031096872.db2.gz RNLNNVVRAIEFTN-HXUWFJFHSA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296586 1031096889 /nfs/dbraw/zinc/09/68/89/1031096889.db2.gz RNLNNVVRAIEFTN-HXUWFJFHSA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000483296586 1031096908 /nfs/dbraw/zinc/09/69/08/1031096908.db2.gz RNLNNVVRAIEFTN-HXUWFJFHSA-N 2 1 328.500 3.639 20 0 EHADMP COc1cncc(/C=C\CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000583931815 1031159214 /nfs/dbraw/zinc/15/92/14/1031159214.db2.gz GYKYIHFTIBYDPG-NLKZZRHLSA-N 2 1 343.515 3.736 20 0 EHADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742086 1031196122 /nfs/dbraw/zinc/19/61/22/1031196122.db2.gz CZFNCCKCEWMTKY-WOJBJXKFSA-N 2 1 330.516 3.978 20 0 EHADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742086 1031196136 /nfs/dbraw/zinc/19/61/36/1031196136.db2.gz CZFNCCKCEWMTKY-WOJBJXKFSA-N 2 1 330.516 3.978 20 0 EHADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527801567 1031274680 /nfs/dbraw/zinc/27/46/80/1031274680.db2.gz KJTDVQPOPVOZDB-AQNXPRMDSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527801567 1031274687 /nfs/dbraw/zinc/27/46/87/1031274687.db2.gz KJTDVQPOPVOZDB-AQNXPRMDSA-N 2 1 328.500 3.729 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000583973426 1031278527 /nfs/dbraw/zinc/27/85/27/1031278527.db2.gz CBKSXWUHBZPLEE-ZBFHGGJFSA-N 2 1 337.389 3.907 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000343565964 1031422718 /nfs/dbraw/zinc/42/27/18/1031422718.db2.gz KFULKHQGDLGDKN-AWEZNQCLSA-N 2 1 348.516 3.913 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484137694 1031476380 /nfs/dbraw/zinc/47/63/80/1031476380.db2.gz DWZNAKRKYZQFEN-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484137694 1031476389 /nfs/dbraw/zinc/47/63/89/1031476389.db2.gz DWZNAKRKYZQFEN-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4cn(C)nc4c3)CC2)C1 ZINC000527961138 1031528248 /nfs/dbraw/zinc/52/82/48/1031528248.db2.gz HCIPVBOBMJPPTP-JXFKEZNVSA-N 2 1 340.515 3.706 20 0 EHADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000527989170 1031548420 /nfs/dbraw/zinc/54/84/20/1031548420.db2.gz XGEYSBDSJKZDGG-BDTNDASRSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000528006923 1031574759 /nfs/dbraw/zinc/57/47/59/1031574759.db2.gz AJYQRKCHKSSWCE-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006923 1031574771 /nfs/dbraw/zinc/57/47/71/1031574771.db2.gz AJYQRKCHKSSWCE-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006923 1031574777 /nfs/dbraw/zinc/57/47/77/1031574777.db2.gz AJYQRKCHKSSWCE-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528006923 1031574815 /nfs/dbraw/zinc/57/48/15/1031574815.db2.gz AJYQRKCHKSSWCE-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](SCC)C2)[C@@H](C)C1 ZINC000484473288 1031621700 /nfs/dbraw/zinc/62/17/00/1031621700.db2.gz JKJORZPJEDGRTO-RDGPPVDQSA-N 2 1 342.593 3.777 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278618575 1031677657 /nfs/dbraw/zinc/67/76/57/1031677657.db2.gz GDCCBELPHCESDL-MZADTFQBSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000278618575 1031677665 /nfs/dbraw/zinc/67/76/65/1031677665.db2.gz GDCCBELPHCESDL-MZADTFQBSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000537846889 1031960517 /nfs/dbraw/zinc/96/05/17/1031960517.db2.gz XMSFEARSJLKRSZ-AWEZNQCLSA-N 2 1 329.410 3.818 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181523598 1032000391 /nfs/dbraw/zinc/00/03/91/1032000391.db2.gz CBRDHKGZPTYYLM-NJYVYQBISA-N 2 1 342.527 3.753 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000568651052 1032025627 /nfs/dbraw/zinc/02/56/27/1032025627.db2.gz GYLBITMIYOOXRA-UWVAXJGDSA-N 2 1 339.483 3.651 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954888 1032041377 /nfs/dbraw/zinc/04/13/77/1032041377.db2.gz YASHKBYRKXAUEZ-NQSCKRDGSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954888 1032041385 /nfs/dbraw/zinc/04/13/85/1032041385.db2.gz YASHKBYRKXAUEZ-NQSCKRDGSA-N 2 1 341.543 3.806 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449011295 1032055394 /nfs/dbraw/zinc/05/53/94/1032055394.db2.gz YTJJYCKDVBFCCQ-UHFFFAOYSA-N 2 1 344.478 3.531 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449011295 1032055406 /nfs/dbraw/zinc/05/54/06/1032055406.db2.gz YTJJYCKDVBFCCQ-UHFFFAOYSA-N 2 1 344.478 3.531 20 0 EHADMP CC(C)[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457334 1033348565 /nfs/dbraw/zinc/34/85/65/1033348565.db2.gz ARHGBGOHLKKMJU-FGZHOGPDSA-N 2 1 343.559 3.527 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(OC)c1F ZINC000685456744 1033348788 /nfs/dbraw/zinc/34/87/88/1033348788.db2.gz VOBMWPWHMNAAHF-UHFFFAOYSA-N 2 1 330.447 3.918 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(CC2CCC2)c1 ZINC000898179904 1033380206 /nfs/dbraw/zinc/38/02/06/1033380206.db2.gz PGAGCLYANNMXNR-MRXNPFEDSA-N 2 1 330.520 3.741 20 0 EHADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898250223 1033406751 /nfs/dbraw/zinc/40/67/51/1033406751.db2.gz OBXVABQKTBAMBH-RBBKRZOGSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898250223 1033406761 /nfs/dbraw/zinc/40/67/61/1033406761.db2.gz OBXVABQKTBAMBH-RBBKRZOGSA-N 2 1 335.495 3.890 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533370 1033509694 /nfs/dbraw/zinc/50/96/94/1033509694.db2.gz FBZPOXOCHAAWDI-CZUORRHYSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cncc(Br)c1 ZINC000657908414 1033510672 /nfs/dbraw/zinc/51/06/72/1033510672.db2.gz JYQDZHCMXHUGJL-GFCCVEGCSA-N 2 1 340.309 3.758 20 0 EHADMP CC(C)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCc1ccccc1 ZINC001168290179 1033533015 /nfs/dbraw/zinc/53/30/15/1033533015.db2.gz BWGPFSFHPPKRJQ-MHJFOBGBSA-N 2 1 346.515 3.607 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000685613130 1033624998 /nfs/dbraw/zinc/62/49/98/1033624998.db2.gz KAEIODSKNYEGEG-RVSUXWIQSA-N 2 1 336.426 3.908 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 ZINC000595071246 1033647355 /nfs/dbraw/zinc/64/73/55/1033647355.db2.gz QATMGGLVKNFRTO-YFUBCIJXSA-N 2 1 345.512 3.521 20 0 EHADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000550608419 1033724560 /nfs/dbraw/zinc/72/45/60/1033724560.db2.gz GOLITZYYSJGJAS-HBMCJLEFSA-N 2 1 331.548 3.778 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608499824 1033733410 /nfs/dbraw/zinc/73/34/10/1033733410.db2.gz VHPLWPDADNKJGD-INIZCTEOSA-N 2 1 342.405 3.893 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608499824 1033733420 /nfs/dbraw/zinc/73/34/20/1033733420.db2.gz VHPLWPDADNKJGD-INIZCTEOSA-N 2 1 342.405 3.893 20 0 EHADMP CCCn1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000574968110 1033743647 /nfs/dbraw/zinc/74/36/47/1033743647.db2.gz OSWQHRWMDHQOSN-FCHUYYIVSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000574968110 1033743662 /nfs/dbraw/zinc/74/36/62/1033743662.db2.gz OSWQHRWMDHQOSN-FCHUYYIVSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000574968110 1033743679 /nfs/dbraw/zinc/74/36/79/1033743679.db2.gz OSWQHRWMDHQOSN-FCHUYYIVSA-N 2 1 337.511 3.852 20 0 EHADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627766 1033758195 /nfs/dbraw/zinc/75/81/95/1033758195.db2.gz PXXNBZDQWXDVIU-TZIWHRDSSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627766 1033758209 /nfs/dbraw/zinc/75/82/09/1033758209.db2.gz PXXNBZDQWXDVIU-TZIWHRDSSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627766 1033758225 /nfs/dbraw/zinc/75/82/25/1033758225.db2.gz PXXNBZDQWXDVIU-TZIWHRDSSA-N 2 1 329.532 3.676 20 0 EHADMP CC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655770308 1033813289 /nfs/dbraw/zinc/81/32/89/1033813289.db2.gz GMFXVLWGWSWBIL-SFHVURJKSA-N 2 1 338.442 3.531 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c2ccccc21 ZINC000550666147 1033835939 /nfs/dbraw/zinc/83/59/39/1033835939.db2.gz WGJSXVBLQNDYAK-IAGOWNOFSA-N 2 1 344.474 3.722 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655771310 1033850020 /nfs/dbraw/zinc/85/00/20/1033850020.db2.gz HAYHMWCXWNPAOZ-HJNYFJLDSA-N 2 1 342.527 3.803 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658122671 1033979760 /nfs/dbraw/zinc/97/97/60/1033979760.db2.gz HBKOUWIMILOULE-DNVJHFABSA-N 2 1 349.522 3.965 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658146053 1033991647 /nfs/dbraw/zinc/99/16/47/1033991647.db2.gz UICFLASHDJZCIU-RTWAWAEBSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000658223194 1034080478 /nfs/dbraw/zinc/08/04/78/1034080478.db2.gz ZIMSEVHYCRYNMG-RQXATKFSSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168324057 1034118551 /nfs/dbraw/zinc/11/85/51/1034118551.db2.gz IBDQPONHYMKYMT-FTWXPCQCSA-N 2 1 343.559 3.702 20 0 EHADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000658317002 1034190828 /nfs/dbraw/zinc/19/08/28/1034190828.db2.gz UONUWFLVWXHVBC-LQCXBHPOSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2c1 ZINC000450430060 1034318983 /nfs/dbraw/zinc/31/89/83/1034318983.db2.gz OVIMSVWIEZNBHD-MGPUTAFESA-N 2 1 325.456 3.552 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892453195 1034376603 /nfs/dbraw/zinc/37/66/03/1034376603.db2.gz DTQQFLHNDMSIAI-YOEHRIQHSA-N 2 1 326.406 3.814 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000475666474 1034461307 /nfs/dbraw/zinc/46/13/07/1034461307.db2.gz CPVPHCCTKHUOIG-UHFFFAOYSA-N 2 1 327.516 3.593 20 0 EHADMP CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604774476 1034488720 /nfs/dbraw/zinc/48/87/20/1034488720.db2.gz WXCKJRSFERJWRT-YJBOKZPZSA-N 2 1 333.520 3.532 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000375894999 1034853000 /nfs/dbraw/zinc/85/30/00/1034853000.db2.gz IMDPKOIZQJSTPB-TZWRJOPASA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000548931901 1034963762 /nfs/dbraw/zinc/96/37/62/1034963762.db2.gz GRAHLBZCZIAGSG-WOJBJXKFSA-N 2 1 330.516 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000548931901 1034963764 /nfs/dbraw/zinc/96/37/64/1034963764.db2.gz GRAHLBZCZIAGSG-WOJBJXKFSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000761438825 1035612712 /nfs/dbraw/zinc/61/27/12/1035612712.db2.gz YJERBIWLJZDHMO-SVFBPWRDSA-N 2 1 328.500 3.640 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000761438825 1035612719 /nfs/dbraw/zinc/61/27/19/1035612719.db2.gz YJERBIWLJZDHMO-SVFBPWRDSA-N 2 1 328.500 3.640 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000588178638 1035801029 /nfs/dbraw/zinc/80/10/29/1035801029.db2.gz HWMSPMWHKCHHBS-FQEVSTJZSA-N 2 1 348.490 3.964 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929644142 1035809924 /nfs/dbraw/zinc/80/99/24/1035809924.db2.gz NSUMAOZPRBHYPD-HSFUPAIVSA-N 2 1 326.475 3.864 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929644142 1035809948 /nfs/dbraw/zinc/80/99/48/1035809948.db2.gz NSUMAOZPRBHYPD-HSFUPAIVSA-N 2 1 326.475 3.864 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929644142 1035809955 /nfs/dbraw/zinc/80/99/55/1035809955.db2.gz NSUMAOZPRBHYPD-HSFUPAIVSA-N 2 1 326.475 3.864 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282486020 1035826131 /nfs/dbraw/zinc/82/61/31/1035826131.db2.gz MDRLBRNANXAEQY-NHCUHLMSSA-N 2 1 338.495 3.610 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282486020 1035826148 /nfs/dbraw/zinc/82/61/48/1035826148.db2.gz MDRLBRNANXAEQY-NHCUHLMSSA-N 2 1 338.495 3.610 20 0 EHADMP COc1ccc2[nH+]ccc(N3CC[NH+]([C@@H](C)c4cccnc4)CC3)c2c1 ZINC000892544864 1035855126 /nfs/dbraw/zinc/85/51/26/1035855126.db2.gz ILAPEHGMKKPAMW-INIZCTEOSA-N 2 1 348.450 3.522 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000414184856 1035945919 /nfs/dbraw/zinc/94/59/19/1035945919.db2.gz OMWAWCVTSRIVEO-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000572011808 1035947200 /nfs/dbraw/zinc/94/72/00/1035947200.db2.gz KLJUOAHRNIVNLO-DLBZAZTESA-N 2 1 326.440 3.669 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000549032317 1036070485 /nfs/dbraw/zinc/07/04/85/1036070485.db2.gz ZNVFFFXTOHBDTL-PMACEKPBSA-N 2 1 342.527 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000549032317 1036070507 /nfs/dbraw/zinc/07/05/07/1036070507.db2.gz ZNVFFFXTOHBDTL-PMACEKPBSA-N 2 1 342.527 3.836 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000464067060 1036084398 /nfs/dbraw/zinc/08/43/98/1036084398.db2.gz SYRMYZNDLMDALA-PWRODBHTSA-N 2 1 330.516 3.823 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC1CCCC1 ZINC000541214273 1036092100 /nfs/dbraw/zinc/09/21/00/1036092100.db2.gz MOLBCXWOOISOBG-UHFFFAOYSA-N 2 1 346.515 3.979 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(Br)c1Cl ZINC000414214162 1036095055 /nfs/dbraw/zinc/09/50/55/1036095055.db2.gz UXROOUTVPZQEAU-JTNHKYCSSA-N 2 1 345.712 3.921 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000414231550 1036188967 /nfs/dbraw/zinc/18/89/67/1036188967.db2.gz PJKOMQRRJUCWHQ-KKSFZXQISA-N 2 1 348.506 3.626 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000414245963 1036263998 /nfs/dbraw/zinc/26/39/98/1036263998.db2.gz RRYBDTOJEYNXGO-LSDHHAIUSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414245963 1036264012 /nfs/dbraw/zinc/26/40/12/1036264012.db2.gz RRYBDTOJEYNXGO-LSDHHAIUSA-N 2 1 343.696 3.819 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191430479 1036382811 /nfs/dbraw/zinc/38/28/11/1036382811.db2.gz GMGMAMZVUDUTRU-QGZVFWFLSA-N 2 1 347.551 3.510 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000472573913 1036411723 /nfs/dbraw/zinc/41/17/23/1036411723.db2.gz LNLNYOUKNSMICE-SFTDATJTSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000472573913 1036411729 /nfs/dbraw/zinc/41/17/29/1036411729.db2.gz LNLNYOUKNSMICE-SFTDATJTSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000472573913 1036411738 /nfs/dbraw/zinc/41/17/38/1036411738.db2.gz LNLNYOUKNSMICE-SFTDATJTSA-N 2 1 330.516 3.585 20 0 EHADMP CCC[NH+]1CCC(Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000153415555 1036424026 /nfs/dbraw/zinc/42/40/26/1036424026.db2.gz FZPFZEPFIDOQKX-ROUUACIJSA-N 2 1 345.531 3.582 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)OCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414278221 1036425143 /nfs/dbraw/zinc/42/51/43/1036425143.db2.gz YBJULSCZGCTMJM-PXNSSMCTSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(C)C ZINC000414293303 1036492852 /nfs/dbraw/zinc/49/28/52/1036492852.db2.gz MKYDFUPEAKBYLC-JRSUCEMESA-N 2 1 330.516 3.567 20 0 EHADMP Cc1[nH+]ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1Cl ZINC000503585785 1036538528 /nfs/dbraw/zinc/53/85/28/1036538528.db2.gz GGOJWTOEEYVURQ-CALCHBBNSA-N 2 1 327.859 3.612 20 0 EHADMP CC[N@@H+](CCOc1ccccc1F)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999708 1036694097 /nfs/dbraw/zinc/69/40/97/1036694097.db2.gz UTKQNMKGFOVUCN-UHFFFAOYSA-N 2 1 330.447 3.788 20 0 EHADMP CC[C@@H](C[NH2+]C1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000177352967 1036824683 /nfs/dbraw/zinc/82/46/83/1036824683.db2.gz OCZKFTCONMWMTH-CQSZACIVSA-N 2 1 339.321 3.702 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000590786434 1037049301 /nfs/dbraw/zinc/04/93/01/1037049301.db2.gz WXMXGCZXRFVQJR-GOSISDBHSA-N 2 1 345.531 3.683 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(F)c1 ZINC000590786361 1037050350 /nfs/dbraw/zinc/05/03/50/1037050350.db2.gz UBHHEYDANHHRES-INIZCTEOSA-N 2 1 349.494 3.513 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC000590786361 1037050365 /nfs/dbraw/zinc/05/03/65/1037050365.db2.gz UBHHEYDANHHRES-INIZCTEOSA-N 2 1 349.494 3.513 20 0 EHADMP c1nn2ccccc2c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000312048840 1037066022 /nfs/dbraw/zinc/06/60/22/1037066022.db2.gz ARJWNGPZVQQJPX-HXUWFJFHSA-N 2 1 348.494 3.726 20 0 EHADMP c1nn2ccccc2c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000312048840 1037066042 /nfs/dbraw/zinc/06/60/42/1037066042.db2.gz ARJWNGPZVQQJPX-HXUWFJFHSA-N 2 1 348.494 3.726 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1)C(C)C ZINC000590810609 1037070509 /nfs/dbraw/zinc/07/05/09/1037070509.db2.gz DGLICNXLRACRGN-FQEVSTJZSA-N 2 1 345.531 3.520 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543457 1037091541 /nfs/dbraw/zinc/09/15/41/1037091541.db2.gz NVBQHQGWAFKURM-MSOLQXFVSA-N 2 1 345.506 3.638 20 0 EHADMP Brc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543610 1037094106 /nfs/dbraw/zinc/09/41/06/1037094106.db2.gz QHLBLRNNXGZTGB-KGLIPLIRSA-N 2 1 343.334 3.722 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000539851591 1037282726 /nfs/dbraw/zinc/28/27/26/1037282726.db2.gz VICRZQDXDXAERU-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000539851591 1037282746 /nfs/dbraw/zinc/28/27/46/1037282746.db2.gz VICRZQDXDXAERU-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000539851591 1037282759 /nfs/dbraw/zinc/28/27/59/1037282759.db2.gz VICRZQDXDXAERU-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP CC(C)[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)[NH+]1CCN(C)CC1 ZINC000301111428 1037356646 /nfs/dbraw/zinc/35/66/46/1037356646.db2.gz WTNZGZLTSGDALX-LJQANCHMSA-N 2 1 346.906 3.572 20 0 EHADMP C[C@@H](CCc1ccsc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000462787374 1037397565 /nfs/dbraw/zinc/39/75/65/1037397565.db2.gz BIRCZDKCIRXDQC-KRWDZBQOSA-N 2 1 336.545 3.694 20 0 EHADMP CCC[N@H+]1CC[C@H](CNCc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000892668032 1037486111 /nfs/dbraw/zinc/48/61/11/1037486111.db2.gz HCRBYBAWUXUADI-OAHLLOKOSA-N 2 1 345.512 3.640 20 0 EHADMP C=Cc1ccc(CC[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000462910167 1037539775 /nfs/dbraw/zinc/53/97/75/1037539775.db2.gz CPKSLQNMZMKLCD-UHFFFAOYSA-N 2 1 341.524 3.885 20 0 EHADMP C=Cc1ccc(CC[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000462910167 1037539788 /nfs/dbraw/zinc/53/97/88/1037539788.db2.gz CPKSLQNMZMKLCD-UHFFFAOYSA-N 2 1 341.524 3.885 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000303576564 1037572075 /nfs/dbraw/zinc/57/20/75/1037572075.db2.gz JTZACVSEWDOAOT-IEBWSBKVSA-N 2 1 345.531 3.793 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000303576564 1037572090 /nfs/dbraw/zinc/57/20/90/1037572090.db2.gz JTZACVSEWDOAOT-IEBWSBKVSA-N 2 1 345.531 3.793 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000540161794 1037620328 /nfs/dbraw/zinc/62/03/28/1037620328.db2.gz XHLCRNTUIIHRCV-IERDGZPVSA-N 2 1 328.500 3.850 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133230 1037795575 /nfs/dbraw/zinc/79/55/75/1037795575.db2.gz RPQGEFLRBMYXEU-HKUYNNGSSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133230 1037795595 /nfs/dbraw/zinc/79/55/95/1037795595.db2.gz RPQGEFLRBMYXEU-HKUYNNGSSA-N 2 1 342.458 3.847 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4C[C@@H]4c4ccccc4)C[C@H]3C2)cc1 ZINC000463204420 1037873880 /nfs/dbraw/zinc/87/38/80/1037873880.db2.gz JIYLGSNUCXKEFK-SSGKUCQKSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4C[C@@H]4c4ccccc4)C[C@H]3C2)cc1 ZINC000463204420 1037873901 /nfs/dbraw/zinc/87/39/01/1037873901.db2.gz JIYLGSNUCXKEFK-SSGKUCQKSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4C[C@@H]4c4ccccc4)C[C@H]3C2)cc1 ZINC000463204420 1037873914 /nfs/dbraw/zinc/87/39/14/1037873914.db2.gz JIYLGSNUCXKEFK-SSGKUCQKSA-N 2 1 332.491 3.996 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704955 1038481312 /nfs/dbraw/zinc/48/13/12/1038481312.db2.gz VDGSKUGCECPOPX-VQIMIIECSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538704955 1038481320 /nfs/dbraw/zinc/48/13/20/1038481320.db2.gz VDGSKUGCECPOPX-VQIMIIECSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704955 1038481326 /nfs/dbraw/zinc/48/13/26/1038481326.db2.gz VDGSKUGCECPOPX-VQIMIIECSA-N 2 1 334.467 3.563 20 0 EHADMP COc1cccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000659957613 1038507020 /nfs/dbraw/zinc/50/70/20/1038507020.db2.gz WFNOZWAQRXUDGY-QGZVFWFLSA-N 2 1 334.529 3.595 20 0 EHADMP COc1cccc(SCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000659957613 1038507026 /nfs/dbraw/zinc/50/70/26/1038507026.db2.gz WFNOZWAQRXUDGY-QGZVFWFLSA-N 2 1 334.529 3.595 20 0 EHADMP CCCCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796522 1038532707 /nfs/dbraw/zinc/53/27/07/1038532707.db2.gz KIMVZCZOKFZKQI-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796522 1038532714 /nfs/dbraw/zinc/53/27/14/1038532714.db2.gz KIMVZCZOKFZKQI-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796522 1038532719 /nfs/dbraw/zinc/53/27/19/1038532719.db2.gz KIMVZCZOKFZKQI-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000538796522 1038532724 /nfs/dbraw/zinc/53/27/24/1038532724.db2.gz KIMVZCZOKFZKQI-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796522 1038532729 /nfs/dbraw/zinc/53/27/29/1038532729.db2.gz KIMVZCZOKFZKQI-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000539045484 1038663155 /nfs/dbraw/zinc/66/31/55/1038663155.db2.gz AJSLJLSXJWWVTB-MWGJNXKLSA-N 3 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045484 1038663161 /nfs/dbraw/zinc/66/31/61/1038663161.db2.gz AJSLJLSXJWWVTB-MWGJNXKLSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045484 1038663167 /nfs/dbraw/zinc/66/31/67/1038663167.db2.gz AJSLJLSXJWWVTB-MWGJNXKLSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000539045484 1038663170 /nfs/dbraw/zinc/66/31/70/1038663170.db2.gz AJSLJLSXJWWVTB-MWGJNXKLSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000539045484 1038663174 /nfs/dbraw/zinc/66/31/74/1038663174.db2.gz AJSLJLSXJWWVTB-MWGJNXKLSA-N 2 1 343.559 3.605 20 0 EHADMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000924687233 1038725990 /nfs/dbraw/zinc/72/59/90/1038725990.db2.gz OCLOFUWAYBBUNG-CUWPLCDZSA-N 2 1 346.563 3.541 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000479851486 1038786129 /nfs/dbraw/zinc/78/61/29/1038786129.db2.gz LECDYPRPCJDALJ-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903043 1038855141 /nfs/dbraw/zinc/85/51/41/1038855141.db2.gz PTKZSJMVSCOEKS-RTBURBONSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903043 1038855164 /nfs/dbraw/zinc/85/51/64/1038855164.db2.gz PTKZSJMVSCOEKS-RTBURBONSA-N 2 1 340.515 3.847 20 0 EHADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Cl ZINC001279312732 1038886801 /nfs/dbraw/zinc/88/68/01/1038886801.db2.gz KTDIBPPQTJCOAI-CALCHBBNSA-N 2 1 336.907 3.901 20 0 EHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1Cl ZINC001279312732 1038886827 /nfs/dbraw/zinc/88/68/27/1038886827.db2.gz KTDIBPPQTJCOAI-CALCHBBNSA-N 2 1 336.907 3.901 20 0 EHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1Cl ZINC001279312732 1038886857 /nfs/dbraw/zinc/88/68/57/1038886857.db2.gz KTDIBPPQTJCOAI-CALCHBBNSA-N 2 1 336.907 3.901 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916656 1038898284 /nfs/dbraw/zinc/89/82/84/1038898284.db2.gz SIWFEMQCRZKJRD-RBUKOAKNSA-N 3 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916656 1038898305 /nfs/dbraw/zinc/89/83/05/1038898305.db2.gz SIWFEMQCRZKJRD-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916656 1038898321 /nfs/dbraw/zinc/89/83/21/1038898321.db2.gz SIWFEMQCRZKJRD-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000552042371 1038907567 /nfs/dbraw/zinc/90/75/67/1038907567.db2.gz BBUQDNMOMPPLGV-NUVSWBFWSA-N 2 1 342.527 3.900 20 0 EHADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552251253 1039099812 /nfs/dbraw/zinc/09/98/12/1039099812.db2.gz PPGLUIFDTODVTM-FDFHNCONSA-N 2 1 337.511 3.806 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1Br ZINC000552283370 1039135731 /nfs/dbraw/zinc/13/57/31/1039135731.db2.gz AZBQJVBQUDLVHV-XHSDSOJGSA-N 2 1 337.305 3.720 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1Br ZINC000552283370 1039135742 /nfs/dbraw/zinc/13/57/42/1039135742.db2.gz AZBQJVBQUDLVHV-XHSDSOJGSA-N 2 1 337.305 3.720 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000488420102 1039157191 /nfs/dbraw/zinc/15/71/91/1039157191.db2.gz ICGZYVQTMQKMAK-UXHICEINSA-N 2 1 332.557 3.813 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4COC5(CCC5)C4)C[C@@H]3C2)cc1 ZINC000898517853 1039187358 /nfs/dbraw/zinc/18/73/58/1039187358.db2.gz UVKABILRNFDJIS-DOIPELPJSA-N 2 1 340.511 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000898517997 1039187503 /nfs/dbraw/zinc/18/75/03/1039187503.db2.gz FUFZKBLMKUNNNN-FTWSKBIYSA-N 2 1 342.527 3.833 20 0 EHADMP FCC1(CF)CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898517685 1039187566 /nfs/dbraw/zinc/18/75/66/1039187566.db2.gz BPTCKWLDPSSVBQ-CEXWTWQISA-N 2 1 348.481 3.965 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523064 1039201975 /nfs/dbraw/zinc/20/19/75/1039201975.db2.gz YBBYYWYBDGIRGU-CEXWTWQISA-N 2 1 341.524 3.842 20 0 EHADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480167084 1039256975 /nfs/dbraw/zinc/25/69/75/1039256975.db2.gz QLJHGUXVDTYSIR-RBBKRZOGSA-N 3 1 343.559 3.609 20 0 EHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000480176503 1039265068 /nfs/dbraw/zinc/26/50/68/1039265068.db2.gz FETYNZBSCNOMDB-LWASTNQWSA-N 2 1 330.516 3.546 20 0 EHADMP C[NH+](C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000480263328 1039375360 /nfs/dbraw/zinc/37/53/60/1039375360.db2.gz JSJSGPHHRDWSNZ-LJQANCHMSA-N 2 1 335.561 3.738 20 0 EHADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000480263328 1039375374 /nfs/dbraw/zinc/37/53/74/1039375374.db2.gz JSJSGPHHRDWSNZ-LJQANCHMSA-N 2 1 335.561 3.738 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193620 1039474005 /nfs/dbraw/zinc/47/40/05/1039474005.db2.gz QQOPBKYOAWXYGZ-OXQOHEQNSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193620 1039474015 /nfs/dbraw/zinc/47/40/15/1039474015.db2.gz QQOPBKYOAWXYGZ-OXQOHEQNSA-N 2 1 327.447 3.784 20 0 EHADMP CC(C)n1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000279937377 1039608707 /nfs/dbraw/zinc/60/87/07/1039608707.db2.gz NMIXZUIUOLIFCI-GOSISDBHSA-N 2 1 340.515 3.986 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779498 1039806185 /nfs/dbraw/zinc/80/61/85/1039806185.db2.gz DUBLKUSDIUWLGA-HXUWFJFHSA-N 2 1 344.543 3.962 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779498 1039806209 /nfs/dbraw/zinc/80/62/09/1039806209.db2.gz DUBLKUSDIUWLGA-HXUWFJFHSA-N 2 1 344.543 3.962 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480671164 1039863282 /nfs/dbraw/zinc/86/32/82/1039863282.db2.gz QZVHXBQSDPRACQ-XLNGHYISSA-N 2 1 326.406 3.685 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554881852 1039901842 /nfs/dbraw/zinc/90/18/42/1039901842.db2.gz FOLHEZQXQWLUOX-ROUUACIJSA-N 2 1 345.531 3.847 20 0 EHADMP COc1cccc2c(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc(C)nc12 ZINC000553297279 1039945069 /nfs/dbraw/zinc/94/50/69/1039945069.db2.gz OFLKCHHEJMQHFO-XYPWUTKMSA-N 2 1 325.456 3.613 20 0 EHADMP COc1cccc2c(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc(C)[nH+]c12 ZINC000553297279 1039945074 /nfs/dbraw/zinc/94/50/74/1039945074.db2.gz OFLKCHHEJMQHFO-XYPWUTKMSA-N 2 1 325.456 3.613 20 0 EHADMP COc1cccc2c(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc(C)[nH+]c12 ZINC000553297279 1039945082 /nfs/dbraw/zinc/94/50/82/1039945082.db2.gz OFLKCHHEJMQHFO-XYPWUTKMSA-N 2 1 325.456 3.613 20 0 EHADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000534278042 1039962095 /nfs/dbraw/zinc/96/20/95/1039962095.db2.gz TUQXBBJGQUGPSM-QHAWAJNXSA-N 2 1 343.559 3.631 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000480750652 1039970486 /nfs/dbraw/zinc/97/04/86/1039970486.db2.gz SSWIPJQUCJBCAO-PGRDOPGGSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468969575 1040021952 /nfs/dbraw/zinc/02/19/52/1040021952.db2.gz OSFAKRCHRMCUMJ-CJNGLKHVSA-N 2 1 328.422 3.913 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062874 1040028868 /nfs/dbraw/zinc/02/88/68/1040028868.db2.gz FQSJPVAOQHJJAG-GOSISDBHSA-N 2 1 340.515 3.734 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062874 1040028892 /nfs/dbraw/zinc/02/88/92/1040028892.db2.gz FQSJPVAOQHJJAG-GOSISDBHSA-N 2 1 340.515 3.734 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062874 1040028912 /nfs/dbraw/zinc/02/89/12/1040028912.db2.gz FQSJPVAOQHJJAG-GOSISDBHSA-N 2 1 340.515 3.734 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062874 1040028927 /nfs/dbraw/zinc/02/89/27/1040028927.db2.gz FQSJPVAOQHJJAG-GOSISDBHSA-N 2 1 340.515 3.734 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522417 1040043590 /nfs/dbraw/zinc/04/35/90/1040043590.db2.gz YPWSUZSDPIUFEV-GVXVVHGQSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522417 1040043611 /nfs/dbraw/zinc/04/36/11/1040043611.db2.gz YPWSUZSDPIUFEV-GVXVVHGQSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)C1 ZINC000667785199 1040186844 /nfs/dbraw/zinc/18/68/44/1040186844.db2.gz JKJPXRTUOGKGCZ-CZAAIQMYSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030746 1040275598 /nfs/dbraw/zinc/27/55/98/1040275598.db2.gz BITAPKYYRNMTMK-FUHWJXTLSA-N 2 1 348.556 3.829 20 0 EHADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000479479451 1040276910 /nfs/dbraw/zinc/27/69/10/1040276910.db2.gz KWWIUWXQXFFBJC-AYWYSENESA-N 2 1 329.532 3.502 20 0 EHADMP CO[C@H](CC(C)C)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419226329 1040450672 /nfs/dbraw/zinc/45/06/72/1040450672.db2.gz ISBJSGXJQIRBNS-HXUWFJFHSA-N 2 1 333.520 3.681 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CCCO1 ZINC000433031270 1040505373 /nfs/dbraw/zinc/50/53/73/1040505373.db2.gz NINQJIQAKOAQNO-PGYGNJIDSA-N 2 1 346.515 3.509 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CCCO1 ZINC000433031270 1040505386 /nfs/dbraw/zinc/50/53/86/1040505386.db2.gz NINQJIQAKOAQNO-PGYGNJIDSA-N 2 1 346.515 3.509 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000555434219 1040583437 /nfs/dbraw/zinc/58/34/37/1040583437.db2.gz ITJGFVQEVMJGFI-UHFFFAOYSA-N 2 1 342.886 3.910 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000481330431 1040696241 /nfs/dbraw/zinc/69/62/41/1040696241.db2.gz DNWUUBYLZJFGRY-KBPBESRZSA-N 2 1 340.895 3.740 20 0 EHADMP OC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(F)c1 ZINC000411500740 1040919116 /nfs/dbraw/zinc/91/91/16/1040919116.db2.gz FUCDASOYGIXXLQ-NRFANRHFSA-N 2 1 342.458 3.635 20 0 EHADMP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000487553965 1040940586 /nfs/dbraw/zinc/94/05/86/1040940586.db2.gz QMEKPKOVDIRIGN-RDJZCZTQSA-N 2 1 334.479 3.967 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000046989816 1041060697 /nfs/dbraw/zinc/06/06/97/1041060697.db2.gz WCEMTCSNAJEINK-KRWDZBQOSA-N 2 1 349.519 3.506 20 0 EHADMP FC(F)OC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411727380 1041088103 /nfs/dbraw/zinc/08/81/03/1041088103.db2.gz NWZYAVOAUVUTLR-SFHVURJKSA-N 2 1 338.442 3.734 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481675058 1041236097 /nfs/dbraw/zinc/23/60/97/1041236097.db2.gz WRNGZGCNETWBIM-LSDHHAIUSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1nc2c(o1)CCC[C@@H]2NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924829629 1041243102 /nfs/dbraw/zinc/24/31/02/1041243102.db2.gz RSWJMIVMGZPHCO-SFHVURJKSA-N 2 1 327.472 3.990 20 0 EHADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924829629 1041243120 /nfs/dbraw/zinc/24/31/20/1041243120.db2.gz RSWJMIVMGZPHCO-SFHVURJKSA-N 2 1 327.472 3.990 20 0 EHADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924829629 1041243136 /nfs/dbraw/zinc/24/31/36/1041243136.db2.gz RSWJMIVMGZPHCO-SFHVURJKSA-N 2 1 327.472 3.990 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1)C(C)C ZINC000110164969 1041517753 /nfs/dbraw/zinc/51/77/53/1041517753.db2.gz YKKWFRQQRZKJNG-UHFFFAOYSA-N 2 1 347.547 3.766 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000660748826 1041804647 /nfs/dbraw/zinc/80/46/47/1041804647.db2.gz BAPAFIPJSWVUGQ-KDURUIRLSA-N 2 1 337.596 3.797 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(-c3cccc(C)c3)nc2C)C[C@H]1C ZINC000651644692 1041835920 /nfs/dbraw/zinc/83/59/20/1041835920.db2.gz ZLRHTJYQFBQDDI-YLJYHZDGSA-N 2 1 340.515 3.794 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cn1 ZINC000800223512 1041980240 /nfs/dbraw/zinc/98/02/40/1041980240.db2.gz FCVYIAYHQBMDJX-QUCCMNQESA-N 2 1 347.466 3.787 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000652222529 1042279107 /nfs/dbraw/zinc/27/91/07/1042279107.db2.gz QSKGMSGMRFKXLV-GOSISDBHSA-N 2 1 333.476 3.798 20 0 EHADMP CCC[C@@H](C)[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000652231006 1042280535 /nfs/dbraw/zinc/28/05/35/1042280535.db2.gz HIQUVZSQVROZDM-GHOZHQTGSA-N 2 1 332.532 3.816 20 0 EHADMP Cc1[nH+]ccn1CCCN1Cc2ccc(C)c(Br)c2C1 ZINC000662194047 1042577416 /nfs/dbraw/zinc/57/74/16/1042577416.db2.gz ZBLCNPMWGVJWBO-UHFFFAOYSA-N 2 1 334.261 3.668 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278860978 1042623597 /nfs/dbraw/zinc/62/35/97/1042623597.db2.gz WILNMTPAPVFKGD-BDHVOXNPSA-N 2 1 342.527 3.975 20 0 EHADMP Clc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662291005 1042661529 /nfs/dbraw/zinc/66/15/29/1042661529.db2.gz BEHRJSGRNMLPGN-CYBMUJFWSA-N 2 1 328.287 3.600 20 0 EHADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291761 1042662669 /nfs/dbraw/zinc/66/26/69/1042662669.db2.gz KAZPSOVXHODVAJ-DZGCQCFKSA-N 2 1 346.500 3.571 20 0 EHADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297899 1042665173 /nfs/dbraw/zinc/66/51/73/1042665173.db2.gz STZUUOCCZFEYNF-ZFWWWQNUSA-N 2 1 346.500 3.571 20 0 EHADMP Fc1cc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663346262 1042731076 /nfs/dbraw/zinc/73/10/76/1042731076.db2.gz RUIRKMDULJXPBG-OAHLLOKOSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663346262 1042731079 /nfs/dbraw/zinc/73/10/79/1042731079.db2.gz RUIRKMDULJXPBG-OAHLLOKOSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663346262 1042731083 /nfs/dbraw/zinc/73/10/83/1042731083.db2.gz RUIRKMDULJXPBG-OAHLLOKOSA-N 2 1 342.405 3.639 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663346672 1042733063 /nfs/dbraw/zinc/73/30/63/1042733063.db2.gz CKVQEUGLSMVSHJ-SFHVURJKSA-N 2 1 338.499 3.597 20 0 EHADMP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663347702 1042736890 /nfs/dbraw/zinc/73/68/90/1042736890.db2.gz STFHEZZKGVPJDT-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347702 1042736893 /nfs/dbraw/zinc/73/68/93/1042736893.db2.gz STFHEZZKGVPJDT-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000925774752 1042873128 /nfs/dbraw/zinc/87/31/28/1042873128.db2.gz CFITVEAZEHTCIR-YPMHNXCESA-N 2 1 332.822 3.552 20 0 EHADMP Fc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471161 1042897322 /nfs/dbraw/zinc/89/73/22/1042897322.db2.gz XBDLQWMRXCWUSR-LPHOPBHVSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471161 1042897326 /nfs/dbraw/zinc/89/73/26/1042897326.db2.gz XBDLQWMRXCWUSR-LPHOPBHVSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471161 1042897332 /nfs/dbraw/zinc/89/73/32/1042897332.db2.gz XBDLQWMRXCWUSR-LPHOPBHVSA-N 2 1 332.463 3.751 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001167826121 1042957740 /nfs/dbraw/zinc/95/77/40/1042957740.db2.gz MNSWCESYYFCMSA-PMACEKPBSA-N 2 1 331.548 3.703 20 0 EHADMP CCCc1noc([C@H]2CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167836587 1043042692 /nfs/dbraw/zinc/04/26/92/1043042692.db2.gz FJKAOKHXGMMHHT-SJORKVTESA-N 2 1 336.524 3.712 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001167841846 1043134114 /nfs/dbraw/zinc/13/41/14/1043134114.db2.gz SHWLEWDEOCBZIX-QGZVFWFLSA-N 2 1 338.499 3.970 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001167841846 1043134119 /nfs/dbraw/zinc/13/41/19/1043134119.db2.gz SHWLEWDEOCBZIX-QGZVFWFLSA-N 2 1 338.499 3.970 20 0 EHADMP CCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432424269 1043165120 /nfs/dbraw/zinc/16/51/20/1043165120.db2.gz NRBCPJJFCLNUSF-ZWKOTPCHSA-N 2 1 334.504 3.627 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@H](C)C1 ZINC000279524181 1044180792 /nfs/dbraw/zinc/18/07/92/1044180792.db2.gz OPOOYRKSWLKIMO-CRAIPNDOSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@H](C)C1 ZINC000279524181 1044180798 /nfs/dbraw/zinc/18/07/98/1044180798.db2.gz OPOOYRKSWLKIMO-CRAIPNDOSA-N 2 1 343.446 3.833 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000344777197 1044409634 /nfs/dbraw/zinc/40/96/34/1044409634.db2.gz PTLPKXBRBXJITF-UXHICEINSA-N 2 1 339.483 3.623 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000279778072 1044646257 /nfs/dbraw/zinc/64/62/57/1044646257.db2.gz BVOMWPZRZMQEII-ARFHVFGLSA-N 2 1 345.487 3.627 20 0 EHADMP CC(C)CCOCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432672219 1044700413 /nfs/dbraw/zinc/70/04/13/1044700413.db2.gz SXFWKIPBLMSZSS-SFHVURJKSA-N 2 1 336.545 3.755 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905096 1044839157 /nfs/dbraw/zinc/83/91/57/1044839157.db2.gz LNHWXKDMRZWBHJ-BRWVUGGUSA-N 2 1 334.504 3.517 20 0 EHADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000154431961 1125718294 /nfs/dbraw/zinc/71/82/94/1125718294.db2.gz NNYYPVPUFNZKDU-SFHVURJKSA-N 2 1 341.499 3.625 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000154447906 1125720039 /nfs/dbraw/zinc/72/00/39/1125720039.db2.gz YZEJGJQEYJMHQJ-HXUWFJFHSA-N 2 1 345.575 3.953 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000154546328 1125729197 /nfs/dbraw/zinc/72/91/97/1125729197.db2.gz MFMLGAZOZCZLFR-SFHVURJKSA-N 2 1 335.511 3.511 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C[NH+]1CCCC1 ZINC000185073442 1126749456 /nfs/dbraw/zinc/74/94/56/1126749456.db2.gz CDBVVVRBUFAWOY-OLZOCXBDSA-N 2 1 341.293 3.537 20 0 EHADMP CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000172093072 1126780017 /nfs/dbraw/zinc/78/00/17/1126780017.db2.gz VZUOJSNJCMYYCQ-QAPCUYQASA-N 2 1 333.520 3.532 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671240238 1126815986 /nfs/dbraw/zinc/81/59/86/1126815986.db2.gz LCEZUARNNDSASV-MRXNPFEDSA-N 2 1 342.487 3.851 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000623346870 1126924288 /nfs/dbraw/zinc/92/42/88/1126924288.db2.gz GAWJDMVGEVAZGS-RDTXWAMCSA-N 2 1 329.488 3.559 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)CC1(C)C ZINC000623374724 1126938226 /nfs/dbraw/zinc/93/82/26/1126938226.db2.gz NHBDWRLPCZSMKU-LBPRGKRZSA-N 2 1 331.287 3.835 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381805 1126939119 /nfs/dbraw/zinc/93/91/19/1126939119.db2.gz IONDWLQSVYFZGH-YOEHRIQHSA-N 2 1 344.478 3.843 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381805 1126939123 /nfs/dbraw/zinc/93/91/23/1126939123.db2.gz IONDWLQSVYFZGH-YOEHRIQHSA-N 2 1 344.478 3.843 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623418543 1126950321 /nfs/dbraw/zinc/95/03/21/1126950321.db2.gz UVSZCMYWOBOLIQ-MRXNPFEDSA-N 2 1 344.528 3.600 20 0 EHADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000176748651 1126950778 /nfs/dbraw/zinc/95/07/78/1126950778.db2.gz KMGKUPJZNIZNHY-UHFFFAOYSA-N 2 1 335.536 3.513 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623471569 1126962785 /nfs/dbraw/zinc/96/27/85/1126962785.db2.gz FCZCIKUCEWTNIR-PKOBYXMFSA-N 2 1 348.494 3.953 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC1(C)C ZINC000623534038 1126972828 /nfs/dbraw/zinc/97/28/28/1126972828.db2.gz UYTWKXAWICTNMX-INIZCTEOSA-N 2 1 348.560 3.516 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH+](C)C(C)(C)C2)CCC1 ZINC000623538552 1126979385 /nfs/dbraw/zinc/97/93/85/1126979385.db2.gz JHXQZPHPVWWTMT-IBGZPJMESA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623538552 1126979386 /nfs/dbraw/zinc/97/93/86/1126979386.db2.gz JHXQZPHPVWWTMT-IBGZPJMESA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623538552 1126979389 /nfs/dbraw/zinc/97/93/89/1126979389.db2.gz JHXQZPHPVWWTMT-IBGZPJMESA-N 2 1 329.532 3.504 20 0 EHADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623538552 1126979392 /nfs/dbraw/zinc/97/93/92/1126979392.db2.gz JHXQZPHPVWWTMT-IBGZPJMESA-N 2 1 329.532 3.504 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)CC1(C)C ZINC000623521258 1126973939 /nfs/dbraw/zinc/97/39/39/1126973939.db2.gz PGLQDIIBHJLXED-OAHLLOKOSA-N 2 1 326.431 3.585 20 0 EHADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528970 1126977001 /nfs/dbraw/zinc/97/70/01/1126977001.db2.gz OHJQHGIKAVFSQD-SFTDATJTSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528970 1126977004 /nfs/dbraw/zinc/97/70/04/1126977004.db2.gz OHJQHGIKAVFSQD-SFTDATJTSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528970 1126977008 /nfs/dbraw/zinc/97/70/08/1126977008.db2.gz OHJQHGIKAVFSQD-SFTDATJTSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528970 1126977009 /nfs/dbraw/zinc/97/70/09/1126977009.db2.gz OHJQHGIKAVFSQD-SFTDATJTSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528970 1126977014 /nfs/dbraw/zinc/97/70/14/1126977014.db2.gz OHJQHGIKAVFSQD-SFTDATJTSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528970 1126977020 /nfs/dbraw/zinc/97/70/20/1126977020.db2.gz OHJQHGIKAVFSQD-SFTDATJTSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528970 1126977025 /nfs/dbraw/zinc/97/70/25/1126977025.db2.gz OHJQHGIKAVFSQD-SFTDATJTSA-N 3 1 343.559 3.751 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656041 1127005478 /nfs/dbraw/zinc/00/54/78/1127005478.db2.gz LQOWGOYMFRZCNJ-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656041 1127005483 /nfs/dbraw/zinc/00/54/83/1127005483.db2.gz LQOWGOYMFRZCNJ-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656041 1127005485 /nfs/dbraw/zinc/00/54/85/1127005485.db2.gz LQOWGOYMFRZCNJ-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP CCOc1c(Cl)cc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654725 1127005958 /nfs/dbraw/zinc/00/59/58/1127005958.db2.gz HGEBQNVJTMVIFL-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654725 1127005961 /nfs/dbraw/zinc/00/59/61/1127005961.db2.gz HGEBQNVJTMVIFL-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654725 1127005963 /nfs/dbraw/zinc/00/59/63/1127005963.db2.gz HGEBQNVJTMVIFL-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000623899069 1127209339 /nfs/dbraw/zinc/20/93/39/1127209339.db2.gz ZPSPWTDSNJMJDE-VNHYZAJKSA-N 2 1 325.294 3.891 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000623898856 1127208922 /nfs/dbraw/zinc/20/89/22/1127208922.db2.gz SZLMMWNLHJNHTE-WZRBSPASSA-N 2 1 349.828 3.757 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000623898856 1127208924 /nfs/dbraw/zinc/20/89/24/1127208924.db2.gz SZLMMWNLHJNHTE-WZRBSPASSA-N 2 1 349.828 3.757 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000624124001 1127256627 /nfs/dbraw/zinc/25/66/27/1127256627.db2.gz VLFSOSKLHHBLOG-ROUUACIJSA-N 2 1 329.513 3.748 20 0 EHADMP COC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121089 1127255197 /nfs/dbraw/zinc/25/51/97/1127255197.db2.gz NVROTCJZXQNMIX-YOEHRIQHSA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121089 1127255199 /nfs/dbraw/zinc/25/51/99/1127255199.db2.gz NVROTCJZXQNMIX-YOEHRIQHSA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121089 1127255201 /nfs/dbraw/zinc/25/52/01/1127255201.db2.gz NVROTCJZXQNMIX-YOEHRIQHSA-N 2 1 344.421 3.714 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000184557797 1127408539 /nfs/dbraw/zinc/40/85/39/1127408539.db2.gz ZPBACFFUAGKYDH-JTSKRJEESA-N 2 1 349.478 3.825 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@H]1CC[NH3+] ZINC000404419735 1127423852 /nfs/dbraw/zinc/42/38/52/1127423852.db2.gz HXMDZRVSGGNCFS-CJNGLKHVSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@H]1CC[NH3+] ZINC000404419735 1127423854 /nfs/dbraw/zinc/42/38/54/1127423854.db2.gz HXMDZRVSGGNCFS-CJNGLKHVSA-N 2 1 333.863 3.944 20 0 EHADMP COCc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355291 1127483623 /nfs/dbraw/zinc/48/36/23/1127483623.db2.gz NJCOHELHXDPCEU-XMSQKQJNSA-N 2 1 338.495 3.833 20 0 EHADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000381781109 1127492824 /nfs/dbraw/zinc/49/28/24/1127492824.db2.gz ZOCSJOZIOFMOAN-GUDVDZBRSA-N 2 1 330.541 3.772 20 0 EHADMP c1ccc(Oc2cccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2)nc1 ZINC000921611467 1127762229 /nfs/dbraw/zinc/76/22/29/1127762229.db2.gz GOCLSXXOCMCDTJ-UHFFFAOYSA-N 2 1 337.467 3.980 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741387 1128177779 /nfs/dbraw/zinc/17/77/79/1128177779.db2.gz IHRUFEBHIFXSQD-KFWWJZLASA-N 2 1 331.460 3.552 20 0 EHADMP CCC[N@@H+](C)[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764422 1128252571 /nfs/dbraw/zinc/25/25/71/1128252571.db2.gz DMYVVSZRXAFOKG-XUVXKRRUSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764422 1128252574 /nfs/dbraw/zinc/25/25/74/1128252574.db2.gz DMYVVSZRXAFOKG-XUVXKRRUSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764422 1128252577 /nfs/dbraw/zinc/25/25/77/1128252577.db2.gz DMYVVSZRXAFOKG-XUVXKRRUSA-N 2 1 349.950 3.939 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781913 1128366349 /nfs/dbraw/zinc/36/63/49/1128366349.db2.gz CTAHPQISKNYABJ-ROUUACIJSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781913 1128366355 /nfs/dbraw/zinc/36/63/55/1128366355.db2.gz CTAHPQISKNYABJ-ROUUACIJSA-N 2 1 326.488 3.643 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000765781913 1128366359 /nfs/dbraw/zinc/36/63/59/1128366359.db2.gz CTAHPQISKNYABJ-ROUUACIJSA-N 2 1 326.488 3.643 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)C1 ZINC001168619643 1128472855 /nfs/dbraw/zinc/47/28/55/1128472855.db2.gz ZJODKGBQLBKSAM-LQWHRVPQSA-N 2 1 346.515 3.768 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)C1 ZINC001168619643 1128472856 /nfs/dbraw/zinc/47/28/56/1128472856.db2.gz ZJODKGBQLBKSAM-LQWHRVPQSA-N 2 1 346.515 3.768 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137075204 1120147800 /nfs/dbraw/zinc/14/78/00/1120147800.db2.gz ZOLRPTWTCWFEQK-LBPRGKRZSA-N 2 1 331.685 3.534 20 0 EHADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000355229940 1128906847 /nfs/dbraw/zinc/90/68/47/1128906847.db2.gz YPQMUVBVROQCNY-INIZCTEOSA-N 2 1 327.497 3.632 20 0 EHADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000355229940 1128906852 /nfs/dbraw/zinc/90/68/52/1128906852.db2.gz YPQMUVBVROQCNY-INIZCTEOSA-N 2 1 327.497 3.632 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2ccnn2C2CCC2)c(C)c1 ZINC000921920072 1128917743 /nfs/dbraw/zinc/91/77/43/1128917743.db2.gz FMGUUVLPGLFOPL-NRFANRHFSA-N 2 1 349.482 3.953 20 0 EHADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000191505167 1120676184 /nfs/dbraw/zinc/67/61/84/1120676184.db2.gz KREDGSYYMVFHIB-FQEVSTJZSA-N 2 1 347.547 3.921 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cncc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000494623568 1120704404 /nfs/dbraw/zinc/70/44/04/1120704404.db2.gz XOAQGWVIJSCXIF-AEFFLSMTSA-N 2 1 327.447 3.611 20 0 EHADMP CC[C@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000192719208 1120744751 /nfs/dbraw/zinc/74/47/51/1120744751.db2.gz KTJFADGNVBSOAC-FQEVSTJZSA-N 2 1 331.548 3.703 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193971761 1120812907 /nfs/dbraw/zinc/81/29/07/1120812907.db2.gz WOEQRAVMKIXRQI-QHAWAJNXSA-N 2 1 342.527 3.964 20 0 EHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000494890158 1120893256 /nfs/dbraw/zinc/89/32/56/1120893256.db2.gz DRWGJRQSISVQST-KNTRFNDTSA-N 2 1 332.463 3.510 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494891872 1120893822 /nfs/dbraw/zinc/89/38/22/1120893822.db2.gz QXAIIFJQIDRGBY-AEFFLSMTSA-N 2 1 333.524 3.528 20 0 EHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250228979 1120958377 /nfs/dbraw/zinc/95/83/77/1120958377.db2.gz YXFOYCXGGQANPT-VYDXJSESSA-N 2 1 335.289 3.653 20 0 EHADMP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976829 1128989324 /nfs/dbraw/zinc/98/93/24/1128989324.db2.gz KAMVBYJPUNMEIX-PXNSSMCTSA-N 2 1 338.499 3.608 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000316655436 1121595323 /nfs/dbraw/zinc/59/53/23/1121595323.db2.gz RNXUEFPXFVWZLL-CQSZACIVSA-N 2 1 346.302 3.627 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398061488 1121967728 /nfs/dbraw/zinc/96/77/28/1121967728.db2.gz WQSWZLVIEZOMSW-SGCGGLILSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398061488 1121967732 /nfs/dbraw/zinc/96/77/32/1121967732.db2.gz WQSWZLVIEZOMSW-SGCGGLILSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000037997544 1122247453 /nfs/dbraw/zinc/24/74/53/1122247453.db2.gz CHMZILMYDJPOCA-CYBMUJFWSA-N 2 1 343.284 3.800 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000127383117 1122480914 /nfs/dbraw/zinc/48/09/14/1122480914.db2.gz NLTXKDPWFOPSQM-NRFANRHFSA-N 2 1 341.499 3.614 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000127383117 1122480917 /nfs/dbraw/zinc/48/09/17/1122480917.db2.gz NLTXKDPWFOPSQM-NRFANRHFSA-N 2 1 341.499 3.614 20 0 EHADMP C[N@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000556178892 1122861346 /nfs/dbraw/zinc/86/13/46/1122861346.db2.gz OQRPYTCDBJWKKQ-PMACEKPBSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000556232892 1122885711 /nfs/dbraw/zinc/88/57/11/1122885711.db2.gz LMJHSCISTKLELV-ZFMNYDKASA-N 2 1 342.527 3.549 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556238603 1122891192 /nfs/dbraw/zinc/89/11/92/1122891192.db2.gz CEYFMDZTZQSUSO-DXBBTUNJSA-N 2 1 342.527 3.692 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000556608870 1123060103 /nfs/dbraw/zinc/06/01/03/1123060103.db2.gz OYSGSRLERVBZNT-PMACEKPBSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000556608870 1123060108 /nfs/dbraw/zinc/06/01/08/1123060108.db2.gz OYSGSRLERVBZNT-PMACEKPBSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000556608870 1123060113 /nfs/dbraw/zinc/06/01/13/1123060113.db2.gz OYSGSRLERVBZNT-PMACEKPBSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556924587 1123212758 /nfs/dbraw/zinc/21/27/58/1123212758.db2.gz UHQKXQAMWZCXBD-GOEBONIOSA-N 2 1 326.406 3.829 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000134165045 1123497434 /nfs/dbraw/zinc/49/74/34/1123497434.db2.gz ACSOHTJQWKQGIB-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP CCCn1c2ccccc2nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134204551 1123500917 /nfs/dbraw/zinc/50/09/17/1123500917.db2.gz OAODJGKYYIDVJK-UHFFFAOYSA-N 2 1 340.515 3.754 20 0 EHADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000134563503 1123532634 /nfs/dbraw/zinc/53/26/34/1123532634.db2.gz XPRKLBHFRGORQU-OXJNMPFZSA-N 2 1 329.488 3.532 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570020 1123848149 /nfs/dbraw/zinc/84/81/49/1123848149.db2.gz FJGSOTHUPSLGPT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570020 1123848154 /nfs/dbraw/zinc/84/81/54/1123848154.db2.gz FJGSOTHUPSLGPT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570020 1123848159 /nfs/dbraw/zinc/84/81/59/1123848159.db2.gz FJGSOTHUPSLGPT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570020 1123848163 /nfs/dbraw/zinc/84/81/63/1123848163.db2.gz FJGSOTHUPSLGPT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570020 1123848168 /nfs/dbraw/zinc/84/81/68/1123848168.db2.gz FJGSOTHUPSLGPT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245722800 1123937068 /nfs/dbraw/zinc/93/70/68/1123937068.db2.gz ICWPFWZKYYTJLM-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245722800 1123937071 /nfs/dbraw/zinc/93/70/71/1123937071.db2.gz ICWPFWZKYYTJLM-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245722800 1123937075 /nfs/dbraw/zinc/93/70/75/1123937075.db2.gz ICWPFWZKYYTJLM-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245722800 1123937076 /nfs/dbraw/zinc/93/70/76/1123937076.db2.gz ICWPFWZKYYTJLM-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379649439 1124084719 /nfs/dbraw/zinc/08/47/19/1124084719.db2.gz OURNMTLHTVKPBK-DUXKGJEZSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379649439 1124084724 /nfs/dbraw/zinc/08/47/24/1124084724.db2.gz OURNMTLHTVKPBK-DUXKGJEZSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246456489 1124471595 /nfs/dbraw/zinc/47/15/95/1124471595.db2.gz FESUDMINQADNPZ-ICSRJNTNSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246456489 1124471598 /nfs/dbraw/zinc/47/15/98/1124471598.db2.gz FESUDMINQADNPZ-ICSRJNTNSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246456489 1124471601 /nfs/dbraw/zinc/47/16/01/1124471601.db2.gz FESUDMINQADNPZ-ICSRJNTNSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246456489 1124471603 /nfs/dbraw/zinc/47/16/03/1124471603.db2.gz FESUDMINQADNPZ-ICSRJNTNSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083455297 1124497141 /nfs/dbraw/zinc/49/71/41/1124497141.db2.gz NBGPJVJORCJCAU-GFCCVEGCSA-N 2 1 332.498 3.802 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000248043603 1124636848 /nfs/dbraw/zinc/63/68/48/1124636848.db2.gz UKBRVKOQKHEFGH-GBESFXJTSA-N 2 1 349.588 3.841 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248854100 1124708477 /nfs/dbraw/zinc/70/84/77/1124708477.db2.gz QPUOUZFNMJZUAC-DFQSSKMNSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248854100 1124708481 /nfs/dbraw/zinc/70/84/81/1124708481.db2.gz QPUOUZFNMJZUAC-DFQSSKMNSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248854100 1124708486 /nfs/dbraw/zinc/70/84/86/1124708486.db2.gz QPUOUZFNMJZUAC-DFQSSKMNSA-N 2 1 332.532 3.817 20 0 EHADMP CC(C)(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883112 1124712516 /nfs/dbraw/zinc/71/25/16/1124712516.db2.gz LGXRQHUJDHMFDE-IYWMVGAKSA-N 2 1 330.516 3.569 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000248967503 1124723377 /nfs/dbraw/zinc/72/33/77/1124723377.db2.gz CSPWIBMKOPMRNT-WDSOQIARSA-N 2 1 342.527 3.795 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C2 ZINC000248979756 1124724175 /nfs/dbraw/zinc/72/41/75/1124724175.db2.gz FKCWCRDXHVMPOW-MJGOQNOKSA-N 2 1 330.516 3.510 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)[C@@H](C)C1 ZINC000249176835 1124744041 /nfs/dbraw/zinc/74/40/41/1124744041.db2.gz FQCNXQLNDVEIGH-KBXCAEBGSA-N 2 1 333.907 3.694 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091333598 1124976050 /nfs/dbraw/zinc/97/60/50/1124976050.db2.gz YLZBZRPZAYQPPV-OAQYLSRUSA-N 2 1 347.522 3.674 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cc(C)no2)ccc1OC ZINC000182838664 1125378200 /nfs/dbraw/zinc/37/82/00/1125378200.db2.gz NFUORBAQDSETJO-HNNXBMFYSA-N 2 1 331.460 3.684 20 0 EHADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000262026373 1125397022 /nfs/dbraw/zinc/39/70/22/1125397022.db2.gz YHXLNHTZQIDWIH-CYBMUJFWSA-N 2 1 344.286 3.525 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168705019 1129215171 /nfs/dbraw/zinc/21/51/71/1129215171.db2.gz PYQGYNSIHAQGIX-QAPCUYQASA-N 2 1 328.887 3.904 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000765977071 1129373479 /nfs/dbraw/zinc/37/34/79/1129373479.db2.gz PTBWBVHHHRANIG-SJLPKXTDSA-N 2 1 332.488 3.526 20 0 EHADMP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765980296 1129423615 /nfs/dbraw/zinc/42/36/15/1129423615.db2.gz ZHRGRGDRAJXRSW-RTWAWAEBSA-N 2 1 330.516 3.933 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCS1 ZINC000922836431 1129682621 /nfs/dbraw/zinc/68/26/21/1129682621.db2.gz BTKOYFPZAXZZML-BEFAXECRSA-N 2 1 336.520 3.706 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000509073163 1129719834 /nfs/dbraw/zinc/71/98/34/1129719834.db2.gz YTYPNCGJGODSRH-JAGQXMJZSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000509073163 1129719836 /nfs/dbraw/zinc/71/98/36/1129719836.db2.gz YTYPNCGJGODSRH-JAGQXMJZSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000509073163 1129719837 /nfs/dbraw/zinc/71/98/37/1129719837.db2.gz YTYPNCGJGODSRH-JAGQXMJZSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000509073167 1129719965 /nfs/dbraw/zinc/71/99/65/1129719965.db2.gz YTYPNCGJGODSRH-VVDGQQEKSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000509073167 1129719968 /nfs/dbraw/zinc/71/99/68/1129719968.db2.gz YTYPNCGJGODSRH-VVDGQQEKSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000509073167 1129719969 /nfs/dbraw/zinc/71/99/69/1129719969.db2.gz YTYPNCGJGODSRH-VVDGQQEKSA-N 2 1 328.500 3.652 20 0 EHADMP CCO[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402070 1129857827 /nfs/dbraw/zinc/85/78/27/1129857827.db2.gz CKRZOQRUYGASDB-APWZRJJASA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402070 1129857832 /nfs/dbraw/zinc/85/78/32/1129857832.db2.gz CKRZOQRUYGASDB-APWZRJJASA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402070 1129857836 /nfs/dbraw/zinc/85/78/36/1129857836.db2.gz CKRZOQRUYGASDB-APWZRJJASA-N 2 1 336.545 3.625 20 0 EHADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)s1 ZINC000347873813 1129953753 /nfs/dbraw/zinc/95/37/53/1129953753.db2.gz VUOXWYVDWSOMDD-LJQANCHMSA-N 2 1 329.513 3.758 20 0 EHADMP CN(C)Cc1cnc(CN2CCC[C@@](C)(c3ccccc3)C2)s1 ZINC000347873813 1129953754 /nfs/dbraw/zinc/95/37/54/1129953754.db2.gz VUOXWYVDWSOMDD-LJQANCHMSA-N 2 1 329.513 3.758 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cs1 ZINC000282507430 1129970628 /nfs/dbraw/zinc/97/06/28/1129970628.db2.gz ODMILPIRRWINGT-LJQANCHMSA-N 2 1 343.540 3.884 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cs1 ZINC000282507430 1129970631 /nfs/dbraw/zinc/97/06/31/1129970631.db2.gz ODMILPIRRWINGT-LJQANCHMSA-N 2 1 343.540 3.884 20 0 EHADMP CCC1(O)CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000702958078 1130261991 /nfs/dbraw/zinc/26/19/91/1130261991.db2.gz HVTSGOGXQKXWPO-SCYNCJNCSA-N 2 1 342.527 3.570 20 0 EHADMP Cc1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000675749712 1130470142 /nfs/dbraw/zinc/47/01/42/1130470142.db2.gz XVDQJWDCUIWORX-FUHWJXTLSA-N 2 1 329.513 3.637 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000675787079 1130479022 /nfs/dbraw/zinc/47/90/22/1130479022.db2.gz UPXYPZUIIIPMDQ-PZJWPPBQSA-N 2 1 330.516 3.693 20 0 EHADMP c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881225 1130499744 /nfs/dbraw/zinc/49/97/44/1130499744.db2.gz KURNYWXVTLVZQJ-TZIWHRDSSA-N 2 1 328.500 3.687 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881794 1130500067 /nfs/dbraw/zinc/50/00/67/1130500067.db2.gz NLWRNLQMKMSRQF-QLVMHMETSA-N 2 1 346.490 3.682 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000675965212 1130511494 /nfs/dbraw/zinc/51/14/94/1130511494.db2.gz QTVYOIFYZNZEJP-IBGZPJMESA-N 2 1 345.531 3.604 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000675965212 1130511501 /nfs/dbraw/zinc/51/15/01/1130511501.db2.gz QTVYOIFYZNZEJP-IBGZPJMESA-N 2 1 345.531 3.604 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000675965212 1130511506 /nfs/dbraw/zinc/51/15/06/1130511506.db2.gz QTVYOIFYZNZEJP-IBGZPJMESA-N 2 1 345.531 3.604 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000536836655 1130594494 /nfs/dbraw/zinc/59/44/94/1130594494.db2.gz BHTCINWHMLPZIS-VOQZNFBZSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000536836655 1130594498 /nfs/dbraw/zinc/59/44/98/1130594498.db2.gz BHTCINWHMLPZIS-VOQZNFBZSA-N 2 1 341.543 3.806 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000738076759 1131459942 /nfs/dbraw/zinc/45/99/42/1131459942.db2.gz OQUDTOJBVPFAIP-UHFFFAOYSA-N 2 1 339.892 3.848 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883326 1131552625 /nfs/dbraw/zinc/55/26/25/1131552625.db2.gz NLWKZWQYTAUFQQ-FUHWJXTLSA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883326 1131552630 /nfs/dbraw/zinc/55/26/30/1131552630.db2.gz NLWKZWQYTAUFQQ-FUHWJXTLSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883326 1131552633 /nfs/dbraw/zinc/55/26/33/1131552633.db2.gz NLWKZWQYTAUFQQ-FUHWJXTLSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883326 1131552636 /nfs/dbraw/zinc/55/26/36/1131552636.db2.gz NLWKZWQYTAUFQQ-FUHWJXTLSA-N 2 1 342.483 3.714 20 0 EHADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001172429917 1131724992 /nfs/dbraw/zinc/72/49/92/1131724992.db2.gz DSONBEYGCHUNQB-TYPHKJRUSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172429917 1131724997 /nfs/dbraw/zinc/72/49/97/1131724997.db2.gz DSONBEYGCHUNQB-TYPHKJRUSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172429917 1131725003 /nfs/dbraw/zinc/72/50/03/1131725003.db2.gz DSONBEYGCHUNQB-TYPHKJRUSA-N 2 1 330.516 3.646 20 0 EHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H](CC)CC(C)C)CC2)CC1 ZINC001172394978 1131731326 /nfs/dbraw/zinc/73/13/26/1131731326.db2.gz ATNDUOXSPDIWGU-GOSISDBHSA-N 2 1 338.536 3.551 20 0 EHADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@H](CCC[NH3+])C(=O)OC)CC2)CC1 ZINC001172582348 1131791428 /nfs/dbraw/zinc/79/14/28/1131791428.db2.gz CFJDMWPCJLDDET-XBBDAYDNSA-N 2 1 338.536 3.632 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754278 1131836096 /nfs/dbraw/zinc/83/60/96/1131836096.db2.gz XNLGVWQLPRAJEN-IHPCNDPISA-N 2 1 346.515 3.879 20 0 EHADMP CCCOC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173090924 1131951183 /nfs/dbraw/zinc/95/11/83/1131951183.db2.gz KCYKXRCMHLUKLK-QNGMFEMESA-N 2 1 330.516 3.836 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001173110803 1131969945 /nfs/dbraw/zinc/96/99/45/1131969945.db2.gz YIMHMZPPCOYLCD-PNGKTBNWSA-N 2 1 326.484 3.551 20 0 EHADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173109824 1131970102 /nfs/dbraw/zinc/97/01/02/1131970102.db2.gz LSAWIYAMRASTIV-AFMYVXGZSA-N 2 1 338.536 3.695 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CC(Oc3ccc(F)c(F)c3)C2)CC1 ZINC001173112092 1131970748 /nfs/dbraw/zinc/97/07/48/1131970748.db2.gz QDUGWTCCAXXRFW-UHFFFAOYSA-N 2 1 338.442 3.681 20 0 EHADMP COc1cccc2c1C[C@@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173155416 1131985762 /nfs/dbraw/zinc/98/57/62/1131985762.db2.gz BVMDUAPWTAQJPG-KBAYOESNSA-N 2 1 344.499 3.513 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001173279132 1132039168 /nfs/dbraw/zinc/03/91/68/1132039168.db2.gz GVFWPVUYBCDFQM-PKOBYXMFSA-N 2 1 332.488 3.525 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001173279132 1132039174 /nfs/dbraw/zinc/03/91/74/1132039174.db2.gz GVFWPVUYBCDFQM-PKOBYXMFSA-N 2 1 332.488 3.525 20 0 EHADMP COC(=O)CCCC[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001173456293 1132081808 /nfs/dbraw/zinc/08/18/08/1132081808.db2.gz BPKYABJNXPAZMB-KRWDZBQOSA-N 2 1 338.536 3.837 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173630829 1132110425 /nfs/dbraw/zinc/11/04/25/1132110425.db2.gz RYRRWRYIIQYOIR-ROUUACIJSA-N 2 1 326.525 3.600 20 0 EHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173636335 1132111985 /nfs/dbraw/zinc/11/19/85/1132111985.db2.gz YOOYZABYNBQPJR-PSBWJHGTSA-N 2 1 338.536 3.869 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206210778 1132115107 /nfs/dbraw/zinc/11/51/07/1132115107.db2.gz LLIOPGLNSYLUBA-SFTDATJTSA-N 2 1 341.474 3.681 20 0 EHADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2)cc1 ZINC001206210778 1132115109 /nfs/dbraw/zinc/11/51/09/1132115109.db2.gz LLIOPGLNSYLUBA-SFTDATJTSA-N 2 1 341.474 3.681 20 0 EHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173714508 1132133993 /nfs/dbraw/zinc/13/39/93/1132133993.db2.gz NCASHWBQBUUYIU-QSFXBCCZSA-N 2 1 344.499 3.529 20 0 EHADMP CC(=O)Oc1ccc(C2CCC(n3c(C)c[nH+]c3CC[NH3+])CC2)cc1 ZINC001173782052 1132146377 /nfs/dbraw/zinc/14/63/77/1132146377.db2.gz WCJCHKIAWGQBTO-UHFFFAOYSA-N 2 1 341.455 3.517 20 0 EHADMP C[C@@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379641010 1132182953 /nfs/dbraw/zinc/18/29/53/1132182953.db2.gz XLMWHMUVWIADFU-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000379657969 1132436813 /nfs/dbraw/zinc/43/68/13/1132436813.db2.gz VALUDZOOVZSNBS-DUXKGJEZSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000379657969 1132436815 /nfs/dbraw/zinc/43/68/15/1132436815.db2.gz VALUDZOOVZSNBS-DUXKGJEZSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@H]1C[C@@H](NCc2nn(C)c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000379655404 1132437082 /nfs/dbraw/zinc/43/70/82/1132437082.db2.gz LPRSMOBANQCEBJ-HKUYNNGSSA-N 2 1 348.494 3.716 20 0 EHADMP CC1(C)CC[C@H](CO)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001174819352 1132472063 /nfs/dbraw/zinc/47/20/63/1132472063.db2.gz ZYYNBXJBHKMACP-HXUWFJFHSA-N 2 1 330.516 3.655 20 0 EHADMP C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386332208 1132504562 /nfs/dbraw/zinc/50/45/62/1132504562.db2.gz MNMLMRRQLKLNSW-YYWHXJBOSA-N 2 1 335.495 3.959 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000509455340 1132570297 /nfs/dbraw/zinc/57/02/97/1132570297.db2.gz POJLDEJYVVMLQE-AVKJRPAMSA-N 2 1 335.495 3.985 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000509455340 1132570301 /nfs/dbraw/zinc/57/03/01/1132570301.db2.gz POJLDEJYVVMLQE-AVKJRPAMSA-N 2 1 335.495 3.985 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766531956 1132598376 /nfs/dbraw/zinc/59/83/76/1132598376.db2.gz ROLQIVLEVMTWMJ-HRAATJIYSA-N 2 1 341.499 3.724 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766531956 1132598378 /nfs/dbraw/zinc/59/83/78/1132598378.db2.gz ROLQIVLEVMTWMJ-HRAATJIYSA-N 2 1 341.499 3.724 20 0 EHADMP Cc1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c2[nH+]ccn2c1 ZINC001168995884 1132626369 /nfs/dbraw/zinc/62/63/69/1132626369.db2.gz NZTGVMHSVVQDPC-UHFFFAOYSA-N 2 1 339.830 3.526 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1NC(=O)OC(C)(C)C)C2 ZINC001169094938 1132653586 /nfs/dbraw/zinc/65/35/86/1132653586.db2.gz NRQNZCXSZRXZJE-OSYLJGHBSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1NC(=O)OC(C)(C)C)C2 ZINC001169094938 1132653589 /nfs/dbraw/zinc/65/35/89/1132653589.db2.gz NRQNZCXSZRXZJE-OSYLJGHBSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094420 1132653684 /nfs/dbraw/zinc/65/36/84/1132653684.db2.gz LKDQPZOIHQNSMG-LJCCNALRSA-N 2 1 347.934 3.692 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1ccc(Br)cc1)C2 ZINC001169080996 1132658561 /nfs/dbraw/zinc/65/85/61/1132658561.db2.gz OUFIGSHJGFXTOY-BJWYYQGGSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001169118528 1132663323 /nfs/dbraw/zinc/66/33/23/1132663323.db2.gz JRNSDVOPMMLCFJ-NNZMDNLPSA-N 2 1 334.891 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001169122589 1132663546 /nfs/dbraw/zinc/66/35/46/1132663546.db2.gz ATTIIXJQESDGEE-JJTUDDRGSA-N 2 1 335.289 3.520 20 0 EHADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169119572 1132664480 /nfs/dbraw/zinc/66/44/80/1132664480.db2.gz UWFPAESCOZZSID-YPHBOWRQSA-N 2 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119572 1132664484 /nfs/dbraw/zinc/66/44/84/1132664484.db2.gz UWFPAESCOZZSID-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119572 1132664486 /nfs/dbraw/zinc/66/44/86/1132664486.db2.gz UWFPAESCOZZSID-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169119572 1132664489 /nfs/dbraw/zinc/66/44/89/1132664489.db2.gz UWFPAESCOZZSID-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169119572 1132664493 /nfs/dbraw/zinc/66/44/93/1132664493.db2.gz UWFPAESCOZZSID-YPHBOWRQSA-N 3 1 341.543 3.692 20 0 EHADMP C[NH+](C)Cc1c(F)cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1F ZINC001169148753 1132677764 /nfs/dbraw/zinc/67/77/64/1132677764.db2.gz ZVVYHLXUKKLWGU-KUHUBIRLSA-N 2 1 339.474 3.982 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162985 1132684383 /nfs/dbraw/zinc/68/43/83/1132684383.db2.gz WAZHXMHJGZIBDA-WCLQXYBISA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162985 1132684389 /nfs/dbraw/zinc/68/43/89/1132684389.db2.gz WAZHXMHJGZIBDA-WCLQXYBISA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162985 1132684393 /nfs/dbraw/zinc/68/43/93/1132684393.db2.gz WAZHXMHJGZIBDA-WCLQXYBISA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+](C)CCc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001175506569 1132694005 /nfs/dbraw/zinc/69/40/05/1132694005.db2.gz GSYNQZNBLSMYKZ-UHFFFAOYSA-N 2 1 335.495 3.992 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001169240484 1132707860 /nfs/dbraw/zinc/70/78/60/1132707860.db2.gz JIAIBAJHRFODLO-HXUWFJFHSA-N 2 1 334.479 3.757 20 0 EHADMP C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001176144463 1132844026 /nfs/dbraw/zinc/84/40/26/1132844026.db2.gz FXCQSJLQRRZAAR-KRWDZBQOSA-N 2 1 338.499 3.590 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)[nH+]c1C ZINC001176202472 1132871650 /nfs/dbraw/zinc/87/16/50/1132871650.db2.gz MVUZRECHNZTOGG-SFHVURJKSA-N 2 1 331.504 3.945 20 0 EHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065645 1133026878 /nfs/dbraw/zinc/02/68/78/1133026878.db2.gz CMADHIHARVXODN-UYAOXDASSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065645 1133026884 /nfs/dbraw/zinc/02/68/84/1133026884.db2.gz CMADHIHARVXODN-UYAOXDASSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001177295194 1133048113 /nfs/dbraw/zinc/04/81/13/1133048113.db2.gz YXJARXFXNPSDAP-ZIAGYGMSSA-N 2 1 344.421 3.885 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000768104449 1133095226 /nfs/dbraw/zinc/09/52/26/1133095226.db2.gz KJVKSLQNLBTNMM-CJNGLKHVSA-N 2 1 340.870 3.773 20 0 EHADMP Fc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001177954182 1133121416 /nfs/dbraw/zinc/12/14/16/1133121416.db2.gz AXZIQEIWMJPLSU-UHFFFAOYSA-N 2 1 346.421 3.598 20 0 EHADMP CCC1(C[NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CCOCC1 ZINC001178350646 1133157912 /nfs/dbraw/zinc/15/79/12/1133157912.db2.gz IJQOMUGDDHJNGL-UHFFFAOYSA-N 2 1 345.531 3.836 20 0 EHADMP C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC001178350503 1133158399 /nfs/dbraw/zinc/15/83/99/1133158399.db2.gz GNIAZPKXQPUBTH-NXWNEQKCSA-N 2 1 344.543 3.974 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206327146 1133164613 /nfs/dbraw/zinc/16/46/13/1133164613.db2.gz UDAPHQVMNPSTHD-INIZCTEOSA-N 2 1 343.284 3.848 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206327147 1133164903 /nfs/dbraw/zinc/16/49/03/1133164903.db2.gz UDAPHQVMNPSTHD-MRXNPFEDSA-N 2 1 343.284 3.848 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000768927666 1133204896 /nfs/dbraw/zinc/20/48/96/1133204896.db2.gz UQLZDLFWMKMIRY-UHFFFAOYSA-N 2 1 334.895 3.540 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000768927666 1133204902 /nfs/dbraw/zinc/20/49/02/1133204902.db2.gz UQLZDLFWMKMIRY-UHFFFAOYSA-N 2 1 334.895 3.540 20 0 EHADMP CC[N@H+](CCC[NH2+]Cc1ccc(N2CCCC2)nc1)C1CCCCC1 ZINC001179091907 1133227498 /nfs/dbraw/zinc/22/74/98/1133227498.db2.gz XPIGOGORVAGMEO-UHFFFAOYSA-N 2 1 344.547 3.816 20 0 EHADMP CC[N@@H+](CCC[NH2+]Cc1ccc(N2CCCC2)nc1)C1CCCCC1 ZINC001179091907 1133227505 /nfs/dbraw/zinc/22/75/05/1133227505.db2.gz XPIGOGORVAGMEO-UHFFFAOYSA-N 2 1 344.547 3.816 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1N ZINC001179338530 1133246732 /nfs/dbraw/zinc/24/67/32/1133246732.db2.gz IPAPKUKCASBFIR-QAPCUYQASA-N 2 1 343.902 3.780 20 0 EHADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000769485851 1133289153 /nfs/dbraw/zinc/28/91/53/1133289153.db2.gz JACFFBIKJKQGMS-UHFFFAOYSA-N 2 1 334.504 3.933 20 0 EHADMP FC(F)C1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000769553387 1133314285 /nfs/dbraw/zinc/31/42/85/1133314285.db2.gz HJHSCKINPZLOCD-TXQZXFLYSA-N 2 1 334.454 3.920 20 0 EHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CCc2ccccc2)cc1 ZINC001204266765 1133359277 /nfs/dbraw/zinc/35/92/77/1133359277.db2.gz NDCDSQDZKGRIPI-UHFFFAOYSA-N 2 1 326.484 3.692 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC001180363681 1133366003 /nfs/dbraw/zinc/36/60/03/1133366003.db2.gz CSEOKQFSVDOYET-MRXNPFEDSA-N 2 1 329.513 3.818 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769969034 1133367104 /nfs/dbraw/zinc/36/71/04/1133367104.db2.gz OMGMSCXEBMBMFR-FPOVZHCZSA-N 2 1 342.527 3.914 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000770349982 1133419076 /nfs/dbraw/zinc/41/90/76/1133419076.db2.gz CSSLAPCAQGUKIW-AZUAARDMSA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000770349982 1133419080 /nfs/dbraw/zinc/41/90/80/1133419080.db2.gz CSSLAPCAQGUKIW-AZUAARDMSA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000770349982 1133419085 /nfs/dbraw/zinc/41/90/85/1133419085.db2.gz CSSLAPCAQGUKIW-AZUAARDMSA-N 2 1 327.516 3.593 20 0 EHADMP Cc1nc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cs1 ZINC000151371819 1133437724 /nfs/dbraw/zinc/43/77/24/1133437724.db2.gz OZTUTJWRIBKYQA-UHFFFAOYSA-N 2 1 344.528 3.842 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534531 1133498172 /nfs/dbraw/zinc/49/81/72/1133498172.db2.gz MGGRYHJRAKUGQI-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534531 1133498173 /nfs/dbraw/zinc/49/81/73/1133498173.db2.gz MGGRYHJRAKUGQI-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534531 1133498177 /nfs/dbraw/zinc/49/81/77/1133498177.db2.gz MGGRYHJRAKUGQI-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP CC(C)(C)[C@@]1(C[NH2+]C[C@@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182864856 1133741212 /nfs/dbraw/zinc/74/12/12/1133741212.db2.gz NNXWXEVALWFLCT-PZJWPPBQSA-N 2 1 330.516 3.693 20 0 EHADMP CO[C@@]1(C)C[C@H]1[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183000264 1133755987 /nfs/dbraw/zinc/75/59/87/1133755987.db2.gz MCCODBZQGILCJL-GIVPXCGWSA-N 2 1 330.516 3.692 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC001183094870 1133768718 /nfs/dbraw/zinc/76/87/18/1133768718.db2.gz LYKQDAZYOAAYBQ-SLFFLAALSA-N 2 1 334.548 3.826 20 0 EHADMP CC1(C)OCc2cc(C[N@@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)ccc2O1 ZINC001184375956 1133932603 /nfs/dbraw/zinc/93/26/03/1133932603.db2.gz YBFPJDYQRNXGEL-UHFFFAOYSA-N 2 1 332.488 3.684 20 0 EHADMP CC1(C)OCc2cc(C[N@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)ccc2O1 ZINC001184375956 1133932605 /nfs/dbraw/zinc/93/26/05/1133932605.db2.gz YBFPJDYQRNXGEL-UHFFFAOYSA-N 2 1 332.488 3.684 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671331 1133989401 /nfs/dbraw/zinc/98/94/01/1133989401.db2.gz INBFHMLIVCXHQW-GHTZIAJQSA-N 2 1 348.506 3.611 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671331 1133989406 /nfs/dbraw/zinc/98/94/06/1133989406.db2.gz INBFHMLIVCXHQW-GHTZIAJQSA-N 2 1 348.506 3.611 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000774906486 1134115134 /nfs/dbraw/zinc/11/51/34/1134115134.db2.gz BMYCHEZQUNIZJZ-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000774906486 1134115136 /nfs/dbraw/zinc/11/51/36/1134115136.db2.gz BMYCHEZQUNIZJZ-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000774906486 1134115138 /nfs/dbraw/zinc/11/51/38/1134115138.db2.gz BMYCHEZQUNIZJZ-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000774906486 1134115141 /nfs/dbraw/zinc/11/51/41/1134115141.db2.gz BMYCHEZQUNIZJZ-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774960519 1134157653 /nfs/dbraw/zinc/15/76/53/1134157653.db2.gz AZATWGSTRJQPKF-CYBMUJFWSA-N 2 1 336.277 3.688 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC001203277031 1134272902 /nfs/dbraw/zinc/27/29/02/1134272902.db2.gz OEKPMPPQQUVJPJ-MRXNPFEDSA-N 2 1 346.496 3.597 20 0 EHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134906 1134410720 /nfs/dbraw/zinc/41/07/20/1134410720.db2.gz DUSQKDHKQYTTAA-BRKWEVRTSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134906 1134410721 /nfs/dbraw/zinc/41/07/21/1134410721.db2.gz DUSQKDHKQYTTAA-BRKWEVRTSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134906 1134410724 /nfs/dbraw/zinc/41/07/24/1134410724.db2.gz DUSQKDHKQYTTAA-BRKWEVRTSA-N 2 1 346.559 3.636 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CCC[N@@H+]2CC)ccc1OC ZINC000775363926 1134666857 /nfs/dbraw/zinc/66/68/57/1134666857.db2.gz KQZUQEOSUVBPCU-FXAWDEMLSA-N 3 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CCC[N@H+]2CC)ccc1OC ZINC000775363926 1134666861 /nfs/dbraw/zinc/66/68/61/1134666861.db2.gz KQZUQEOSUVBPCU-FXAWDEMLSA-N 3 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@@H+]2CCC[C@H]2C)ccc1OC ZINC000775392839 1134710729 /nfs/dbraw/zinc/71/07/29/1134710729.db2.gz KNLFDZKWMHKSPI-QZTJIDSGSA-N 2 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@H+]2CCC[C@H]2C)ccc1OC ZINC000775392839 1134710734 /nfs/dbraw/zinc/71/07/34/1134710734.db2.gz KNLFDZKWMHKSPI-QZTJIDSGSA-N 2 1 347.547 3.672 20 0 EHADMP CCCc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001190770744 1134749263 /nfs/dbraw/zinc/74/92/63/1134749263.db2.gz SGXTZIUAHIVUAQ-BGYRXZFFSA-N 2 1 343.559 3.630 20 0 EHADMP CCCc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001190770744 1134749268 /nfs/dbraw/zinc/74/92/68/1134749268.db2.gz SGXTZIUAHIVUAQ-BGYRXZFFSA-N 2 1 343.559 3.630 20 0 EHADMP O=C(OC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC000793326069 1134904516 /nfs/dbraw/zinc/90/45/16/1134904516.db2.gz ULKCGWIJYNWKBT-FQEVSTJZSA-N 2 1 349.434 3.546 20 0 EHADMP CCOc1c(F)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Cl ZINC001205570780 1134919021 /nfs/dbraw/zinc/91/90/21/1134919021.db2.gz OQEOSTFEIGKYNU-INIZCTEOSA-N 2 1 332.822 3.531 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001170432951 1134940161 /nfs/dbraw/zinc/94/01/61/1134940161.db2.gz WRGPUXCAGJFTPF-SFHVURJKSA-N 2 1 344.499 3.687 20 0 EHADMP C[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC001205627020 1135120935 /nfs/dbraw/zinc/12/09/35/1135120935.db2.gz LPCKIOGCSOTISI-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC001205627020 1135120939 /nfs/dbraw/zinc/12/09/39/1135120939.db2.gz LPCKIOGCSOTISI-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP CC[C@H](O)C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194942068 1135344620 /nfs/dbraw/zinc/34/46/20/1135344620.db2.gz KNOPABINSJIOOT-FCHUYYIVSA-N 2 1 344.543 3.914 20 0 EHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC001197587276 1135710685 /nfs/dbraw/zinc/71/06/85/1135710685.db2.gz APPANEIPRSIGTI-QRVBRYPASA-N 2 1 334.454 3.876 20 0 EHADMP C[C@]12C[NH+](C[C@@H]3CCC(F)(F)C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001197587276 1135710691 /nfs/dbraw/zinc/71/06/91/1135710691.db2.gz APPANEIPRSIGTI-QRVBRYPASA-N 2 1 334.454 3.876 20 0 EHADMP C[C@]12C[NH+](C[C@@H]3CCC(F)(F)C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001197587276 1135710695 /nfs/dbraw/zinc/71/06/95/1135710695.db2.gz APPANEIPRSIGTI-QRVBRYPASA-N 2 1 334.454 3.876 20 0 EHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCSCc1ccccc1 ZINC001197930005 1135752098 /nfs/dbraw/zinc/75/20/98/1135752098.db2.gz ODJRVEVRAISKRL-KRWDZBQOSA-N 2 1 327.497 3.526 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCCc2c3ncn(C)c3ccc21 ZINC001198676749 1135846255 /nfs/dbraw/zinc/84/62/55/1135846255.db2.gz YQKPIRBNXPVQIB-MRXNPFEDSA-N 2 1 326.488 3.589 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001198676749 1135846257 /nfs/dbraw/zinc/84/62/57/1135846257.db2.gz YQKPIRBNXPVQIB-MRXNPFEDSA-N 2 1 326.488 3.589 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001198676749 1135846259 /nfs/dbraw/zinc/84/62/59/1135846259.db2.gz YQKPIRBNXPVQIB-MRXNPFEDSA-N 2 1 326.488 3.589 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000809767469 1135880005 /nfs/dbraw/zinc/88/00/05/1135880005.db2.gz MGPHJBIBYUVEHH-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000809767469 1135880008 /nfs/dbraw/zinc/88/00/08/1135880008.db2.gz MGPHJBIBYUVEHH-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767469 1135880011 /nfs/dbraw/zinc/88/00/11/1135880011.db2.gz MGPHJBIBYUVEHH-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767469 1135880015 /nfs/dbraw/zinc/88/00/15/1135880015.db2.gz MGPHJBIBYUVEHH-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2OC(F)F)cc1 ZINC000809738775 1135883604 /nfs/dbraw/zinc/88/36/04/1135883604.db2.gz JDGPGOKBVFIJGB-UHFFFAOYSA-N 2 1 334.410 3.982 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000776005907 1135918947 /nfs/dbraw/zinc/91/89/47/1135918947.db2.gz FEVCSTATJPBPKR-OXQOHEQNSA-N 2 1 327.472 3.585 20 0 EHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000810179508 1135934607 /nfs/dbraw/zinc/93/46/07/1135934607.db2.gz CFCZFVGPDVCRRN-KLAILNCOSA-N 2 1 341.540 3.532 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000810179508 1135934608 /nfs/dbraw/zinc/93/46/08/1135934608.db2.gz CFCZFVGPDVCRRN-KLAILNCOSA-N 2 1 341.540 3.532 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(C)cc1Br ZINC001205915503 1136004873 /nfs/dbraw/zinc/00/48/73/1136004873.db2.gz PLZUQYAFGNAMKE-KBPBESRZSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(C)cc1Br ZINC001205915503 1136004876 /nfs/dbraw/zinc/00/48/76/1136004876.db2.gz PLZUQYAFGNAMKE-KBPBESRZSA-N 2 1 325.294 3.625 20 0 EHADMP CCC[N@H+]1CCc2c(N)sc(Nc3cccc(C[NH+](C)C)c3)c2C1 ZINC001201396172 1136012011 /nfs/dbraw/zinc/01/20/11/1136012011.db2.gz JHLFDYCPYZOLBQ-UHFFFAOYSA-N 2 1 344.528 3.904 20 0 EHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CC=CCC4)CC3)C2)c1 ZINC001201411579 1136016172 /nfs/dbraw/zinc/01/61/72/1136016172.db2.gz QPIQDOJYVKVXTQ-SFHVURJKSA-N 2 1 346.540 3.771 20 0 EHADMP Cc1cnccc1CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001201503975 1136029629 /nfs/dbraw/zinc/02/96/29/1136029629.db2.gz QYXHVHXGFHATCV-UHFFFAOYSA-N 2 1 325.500 3.680 20 0 EHADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201543199 1136034703 /nfs/dbraw/zinc/03/47/03/1136034703.db2.gz DBNGFJKUZVPBMB-BWAGFHJFSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201543199 1136034707 /nfs/dbraw/zinc/03/47/07/1136034707.db2.gz DBNGFJKUZVPBMB-BWAGFHJFSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201543199 1136034711 /nfs/dbraw/zinc/03/47/11/1136034711.db2.gz DBNGFJKUZVPBMB-BWAGFHJFSA-N 2 1 348.575 3.883 20 0 EHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001201606102 1136045775 /nfs/dbraw/zinc/04/57/75/1136045775.db2.gz IRTJYWQODXXYML-UHFFFAOYSA-N 2 1 326.459 3.965 20 0 EHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001201606102 1136045779 /nfs/dbraw/zinc/04/57/79/1136045779.db2.gz IRTJYWQODXXYML-UHFFFAOYSA-N 2 1 326.459 3.965 20 0 EHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001201606132 1136045929 /nfs/dbraw/zinc/04/59/29/1136045929.db2.gz KREHWMAPYSXYPX-UHFFFAOYSA-N 2 1 326.459 3.965 20 0 EHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001201606132 1136045932 /nfs/dbraw/zinc/04/59/32/1136045932.db2.gz KREHWMAPYSXYPX-UHFFFAOYSA-N 2 1 326.459 3.965 20 0 EHADMP CCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201730427 1136056401 /nfs/dbraw/zinc/05/64/01/1136056401.db2.gz IJJZMTKPGQQZFI-RTWAWAEBSA-N 2 1 334.548 3.637 20 0 EHADMP CCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201730427 1136056407 /nfs/dbraw/zinc/05/64/07/1136056407.db2.gz IJJZMTKPGQQZFI-RTWAWAEBSA-N 2 1 334.548 3.637 20 0 EHADMP CCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201730427 1136056410 /nfs/dbraw/zinc/05/64/10/1136056410.db2.gz IJJZMTKPGQQZFI-RTWAWAEBSA-N 2 1 334.548 3.637 20 0 EHADMP CCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201731926 1136061779 /nfs/dbraw/zinc/06/17/79/1136061779.db2.gz YIJPBMPHOCNHAI-QGZVFWFLSA-N 2 1 336.545 3.994 20 0 EHADMP CCCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001201887544 1136070273 /nfs/dbraw/zinc/07/02/73/1136070273.db2.gz CBBANEZRUFCUCI-LDVBQKTRSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC001201963830 1136079273 /nfs/dbraw/zinc/07/92/73/1136079273.db2.gz XLXCCPOZGKJJMC-LBPRGKRZSA-N 2 1 331.323 3.865 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811475293 1136095558 /nfs/dbraw/zinc/09/55/58/1136095558.db2.gz ZSWBWVSUTRRJCM-ZDUSSCGKSA-N 2 1 330.303 3.990 20 0 EHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850509773 1136274063 /nfs/dbraw/zinc/27/40/63/1136274063.db2.gz SIXGGSUNBKUNJS-OXQOHEQNSA-N 2 1 342.458 3.552 20 0 EHADMP C[C@@H]([NH2+]CCC1SCCS1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850569835 1136288251 /nfs/dbraw/zinc/28/82/51/1136288251.db2.gz CIUXPQPIXNYAIY-WBVHZDCISA-N 2 1 336.570 3.683 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850573677 1136289452 /nfs/dbraw/zinc/28/94/52/1136289452.db2.gz PJPSRUIAQGBKIE-RBUKOAKNSA-N 2 1 336.907 3.614 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851812310 1136410638 /nfs/dbraw/zinc/41/06/38/1136410638.db2.gz HNDPIAMPBDAQHV-HKUYNNGSSA-N 2 1 338.536 3.505 20 0 EHADMP CC1(C)[C@@H]2C[C@H]([NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)C[C@@H]21 ZINC001170749151 1136459745 /nfs/dbraw/zinc/45/97/45/1136459745.db2.gz CMHANNWLNURCMY-ACDBMABISA-N 2 1 339.527 3.804 20 0 EHADMP COC1(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC000429513991 1136637095 /nfs/dbraw/zinc/63/70/95/1136637095.db2.gz GHJWAFIVSZKBRZ-GOSISDBHSA-N 2 1 330.516 3.897 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856547609 1136794226 /nfs/dbraw/zinc/79/42/26/1136794226.db2.gz BIXGHBZXIGOHCP-LPHOPBHVSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856547609 1136794229 /nfs/dbraw/zinc/79/42/29/1136794229.db2.gz BIXGHBZXIGOHCP-LPHOPBHVSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856547609 1136794234 /nfs/dbraw/zinc/79/42/34/1136794234.db2.gz BIXGHBZXIGOHCP-LPHOPBHVSA-N 2 1 333.520 3.669 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCCC3)C2)ccn1 ZINC000856559455 1136794975 /nfs/dbraw/zinc/79/49/75/1136794975.db2.gz ONOSEKHZLTUYFX-HXUWFJFHSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000856559455 1136794978 /nfs/dbraw/zinc/79/49/78/1136794978.db2.gz ONOSEKHZLTUYFX-HXUWFJFHSA-N 2 1 331.504 3.565 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000856559455 1136794981 /nfs/dbraw/zinc/79/49/81/1136794981.db2.gz ONOSEKHZLTUYFX-HXUWFJFHSA-N 2 1 331.504 3.565 20 0 EHADMP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000818339906 1136872063 /nfs/dbraw/zinc/87/20/63/1136872063.db2.gz FXCABCIWUWMLPF-SJORKVTESA-N 2 1 343.515 3.603 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000818962777 1136891758 /nfs/dbraw/zinc/89/17/58/1136891758.db2.gz YHPVGYZFXAWTSE-IBGZPJMESA-N 2 1 348.437 3.628 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818959300 1136895701 /nfs/dbraw/zinc/89/57/01/1136895701.db2.gz HUBKONNIDLNECO-KBXCAEBGSA-N 2 1 342.886 3.757 20 0 EHADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000819133615 1136911772 /nfs/dbraw/zinc/91/17/72/1136911772.db2.gz AHFFQWIJJSFYGZ-GOSISDBHSA-N 2 1 340.870 3.509 20 0 EHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015223 1136931668 /nfs/dbraw/zinc/93/16/68/1136931668.db2.gz SZHDFZPLRNJYLC-PMACEKPBSA-N 2 1 343.515 3.677 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015223 1136931670 /nfs/dbraw/zinc/93/16/70/1136931670.db2.gz SZHDFZPLRNJYLC-PMACEKPBSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015223 1136931672 /nfs/dbraw/zinc/93/16/72/1136931672.db2.gz SZHDFZPLRNJYLC-PMACEKPBSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015223 1136931673 /nfs/dbraw/zinc/93/16/73/1136931673.db2.gz SZHDFZPLRNJYLC-PMACEKPBSA-N 2 1 343.515 3.677 20 0 EHADMP C[N@H+]1CC[C@H](N[C@@H]2CCCc3cn(C4CCCC4)nc32)CC1(C)C ZINC000858157674 1136945041 /nfs/dbraw/zinc/94/50/41/1136945041.db2.gz LASDRKOFRLFYJW-FUHWJXTLSA-N 2 1 330.520 3.838 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000858537032 1136976936 /nfs/dbraw/zinc/97/69/36/1136976936.db2.gz ARCVHAWTFDBALM-YESZJQIVSA-N 2 1 333.426 3.999 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000823671908 1137109209 /nfs/dbraw/zinc/10/92/09/1137109209.db2.gz XIJYCJWEIXEHBW-MRXNPFEDSA-N 2 1 343.902 3.920 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000823825516 1137114621 /nfs/dbraw/zinc/11/46/21/1137114621.db2.gz QULNELLEPDDIGV-WOJBJXKFSA-N 2 1 336.479 3.615 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000823825516 1137114623 /nfs/dbraw/zinc/11/46/23/1137114623.db2.gz QULNELLEPDDIGV-WOJBJXKFSA-N 2 1 336.479 3.615 20 0 EHADMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862275759 1137136809 /nfs/dbraw/zinc/13/68/09/1137136809.db2.gz ZDBSVDKWBDNDQK-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862275759 1137136810 /nfs/dbraw/zinc/13/68/10/1137136810.db2.gz ZDBSVDKWBDNDQK-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP c1cc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000862528572 1137148027 /nfs/dbraw/zinc/14/80/27/1137148027.db2.gz AMRSPLPZCIVQIC-DZFGPLHGSA-N 2 1 330.435 3.503 20 0 EHADMP c1cc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000862528572 1137148028 /nfs/dbraw/zinc/14/80/28/1137148028.db2.gz AMRSPLPZCIVQIC-DZFGPLHGSA-N 2 1 330.435 3.503 20 0 EHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001171087405 1137176665 /nfs/dbraw/zinc/17/66/65/1137176665.db2.gz QIMVFHPMJDBMIY-DDUZABMNSA-N 2 1 339.310 3.734 20 0 EHADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C(F)(F)F ZINC001143644869 1137186088 /nfs/dbraw/zinc/18/60/88/1137186088.db2.gz LDLLQIAOOAKGCE-UHFFFAOYSA-N 2 1 342.405 3.632 20 0 EHADMP C[N@H+]1CC[C@@H](c2ccc(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)cc2)C1 ZINC001171098871 1137194486 /nfs/dbraw/zinc/19/44/86/1137194486.db2.gz IZWVKQNHUJTVIV-MSOLQXFVSA-N 2 1 345.490 3.866 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC3CC[NH2+]CC3)c2)cc1 ZINC000863690147 1137199474 /nfs/dbraw/zinc/19/94/74/1137199474.db2.gz LNNHCXVPSMQDSI-QGZVFWFLSA-N 2 1 338.499 3.534 20 0 EHADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222450 1137203660 /nfs/dbraw/zinc/20/36/60/1137203660.db2.gz FIPUFIHWYTXUMX-MOPGFXCFSA-N 2 1 341.499 3.970 20 0 EHADMP CC(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222450 1137203662 /nfs/dbraw/zinc/20/36/62/1137203662.db2.gz FIPUFIHWYTXUMX-MOPGFXCFSA-N 2 1 341.499 3.970 20 0 EHADMP CCOc1c(Cl)ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001143833208 1137204082 /nfs/dbraw/zinc/20/40/82/1137204082.db2.gz XWVHCIORSSGAID-UHFFFAOYSA-N 2 1 340.870 3.796 20 0 EHADMP CCc1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000339064753 1137207482 /nfs/dbraw/zinc/20/74/82/1137207482.db2.gz UTZQXHOKHYSLFJ-UHFFFAOYSA-N 2 1 338.499 3.778 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000339065270 1137207948 /nfs/dbraw/zinc/20/79/48/1137207948.db2.gz DSDQMWQRMTUQKH-RYQLBKOJSA-N 2 1 332.488 3.761 20 0 EHADMP COc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(F)c1F ZINC001143910800 1137213856 /nfs/dbraw/zinc/21/38/56/1137213856.db2.gz MWHVJMPYUNPHGH-UHFFFAOYSA-N 2 1 338.442 3.527 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844377148 1137217783 /nfs/dbraw/zinc/21/77/83/1137217783.db2.gz WAOKWTWLGSLFPE-IBGZPJMESA-N 2 1 347.890 3.609 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844377148 1137217784 /nfs/dbraw/zinc/21/77/84/1137217784.db2.gz WAOKWTWLGSLFPE-IBGZPJMESA-N 2 1 347.890 3.609 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844377148 1137217785 /nfs/dbraw/zinc/21/77/85/1137217785.db2.gz WAOKWTWLGSLFPE-IBGZPJMESA-N 2 1 347.890 3.609 20 0 EHADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(N)c(C(F)(F)F)c[nH+]3)c2c1 ZINC001171167372 1137278172 /nfs/dbraw/zinc/27/81/72/1137278172.db2.gz YLJMQVLJUHRTOM-LLVKDONJSA-N 2 1 348.372 3.825 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866260644 1137340246 /nfs/dbraw/zinc/34/02/46/1137340246.db2.gz WGVLKLRAMFLVFD-NEPJUHHUSA-N 2 1 332.835 3.973 20 0 EHADMP Cc1cccc(C[C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000866283028 1137342568 /nfs/dbraw/zinc/34/25/68/1137342568.db2.gz ULOFGYLWXJNDNW-MRXNPFEDSA-N 2 1 338.499 3.591 20 0 EHADMP C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866563556 1137364727 /nfs/dbraw/zinc/36/47/27/1137364727.db2.gz NHXXIXAOGWLPPH-LEDOBFOHSA-N 2 1 349.522 3.673 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704182 1137374518 /nfs/dbraw/zinc/37/45/18/1137374518.db2.gz MQCRWKGPFXWPGW-DYESRHJHSA-N 2 1 345.531 3.636 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704182 1137374520 /nfs/dbraw/zinc/37/45/20/1137374520.db2.gz MQCRWKGPFXWPGW-DYESRHJHSA-N 2 1 345.531 3.636 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001171354069 1137456856 /nfs/dbraw/zinc/45/68/56/1137456856.db2.gz JTEOXGCGVDJPAR-DLBZAZTESA-N 2 1 334.454 3.819 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001171354069 1137456857 /nfs/dbraw/zinc/45/68/57/1137456857.db2.gz JTEOXGCGVDJPAR-DLBZAZTESA-N 2 1 334.454 3.819 20 0 EHADMP Fc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001171391423 1137469217 /nfs/dbraw/zinc/46/92/17/1137469217.db2.gz CPBMDYSNPOGKLP-HXUWFJFHSA-N 2 1 338.470 3.937 20 0 EHADMP Fc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171398827 1137470797 /nfs/dbraw/zinc/47/07/97/1137470797.db2.gz ZPKJUNWIFZIGRP-UYAOXDASSA-N 2 1 338.470 3.795 20 0 EHADMP OCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714960427 1137474775 /nfs/dbraw/zinc/47/47/75/1137474775.db2.gz JBKGIVZGOJRQLI-NHCUHLMSSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714960427 1137474776 /nfs/dbraw/zinc/47/47/76/1137474776.db2.gz JBKGIVZGOJRQLI-NHCUHLMSSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714960427 1137474777 /nfs/dbraw/zinc/47/47/77/1137474777.db2.gz JBKGIVZGOJRQLI-NHCUHLMSSA-N 2 1 330.516 3.526 20 0 EHADMP CCSC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716628171 1137487930 /nfs/dbraw/zinc/48/79/30/1137487930.db2.gz VHOPEPWNZSQHMK-FHWLQOOXSA-N 2 1 330.541 3.915 20 0 EHADMP Oc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000716650191 1137487964 /nfs/dbraw/zinc/48/79/64/1137487964.db2.gz LZQKGIDOSXMASH-HBMCJLEFSA-N 2 1 336.479 3.577 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cs1 ZINC000716702689 1137488690 /nfs/dbraw/zinc/48/86/90/1137488690.db2.gz UWEWSJJDMYEJFS-SXLOBPIMSA-N 2 1 341.524 3.637 20 0 EHADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H](C)C1 ZINC001171527541 1137496668 /nfs/dbraw/zinc/49/66/68/1137496668.db2.gz COUQGTSMHYMODO-IFIJOSMWSA-N 2 1 340.433 3.670 20 0 EHADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001171558552 1137497756 /nfs/dbraw/zinc/49/77/56/1137497756.db2.gz LPCRKAOFFMMKCW-HXUWFJFHSA-N 2 1 338.470 3.941 20 0 EHADMP COc1ncccc1[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C1CC1 ZINC001171627011 1137501413 /nfs/dbraw/zinc/50/14/13/1137501413.db2.gz ISNZBRLOKZMVOX-QGZVFWFLSA-N 2 1 331.504 3.782 20 0 EHADMP C[C@@H]1C[C@@H](N(CCC[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171724839 1137506028 /nfs/dbraw/zinc/50/60/28/1137506028.db2.gz CEWCRCGGOIOMQA-WIYYLYMNSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724839 1137506029 /nfs/dbraw/zinc/50/60/29/1137506029.db2.gz CEWCRCGGOIOMQA-WIYYLYMNSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724839 1137506030 /nfs/dbraw/zinc/50/60/30/1137506030.db2.gz CEWCRCGGOIOMQA-WIYYLYMNSA-N 2 1 329.532 3.633 20 0 EHADMP CCCC[NH+]1CCC(N(C)[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171768240 1137509221 /nfs/dbraw/zinc/50/92/21/1137509221.db2.gz SVPRUMNZENCMRB-KNQAVFIVSA-N 2 1 343.559 3.846 20 0 EHADMP CC1([NH2+][C@@H]2Cc3cccc(F)c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001171790381 1137512658 /nfs/dbraw/zinc/51/26/58/1137512658.db2.gz JZCZQFTUXHXIGC-LJQANCHMSA-N 2 1 338.470 3.937 20 0 EHADMP CCOC(=O)CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961541 1137519615 /nfs/dbraw/zinc/51/96/15/1137519615.db2.gz ADVGBBWYJBNOKA-GOSISDBHSA-N 2 1 346.515 3.751 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ccn1 ZINC001171963310 1137519839 /nfs/dbraw/zinc/51/98/39/1137519839.db2.gz HOPOLVYFPLHCBS-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)ccn1 ZINC001171963310 1137519840 /nfs/dbraw/zinc/51/98/40/1137519840.db2.gz HOPOLVYFPLHCBS-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC3(C2)C[C@H](F)CS3)CC[N@@H+]1Cc1ccccc1 ZINC001171988871 1137522314 /nfs/dbraw/zinc/52/23/14/1137522314.db2.gz WVCSTRRCOGTUPW-ZWKOTPCHSA-N 2 1 348.531 3.959 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC3(C2)C[C@H](F)CS3)CC[N@H+]1Cc1ccccc1 ZINC001171988871 1137522316 /nfs/dbraw/zinc/52/23/16/1137522316.db2.gz WVCSTRRCOGTUPW-ZWKOTPCHSA-N 2 1 348.531 3.959 20 0 EHADMP CC1(C)C[C@H](N2CCC([NH+]3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171991029 1137522935 /nfs/dbraw/zinc/52/29/35/1137522935.db2.gz QKBMPRUQQDQDIJ-OAQYLSRUSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171970499 1137523747 /nfs/dbraw/zinc/52/37/47/1137523747.db2.gz CKLGPUPQSCEASP-OAHLLOKOSA-N 2 1 330.394 3.556 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2CO)CC[N@@H+]1Cc1ccccc1 ZINC001171972642 1137523950 /nfs/dbraw/zinc/52/39/50/1137523950.db2.gz RVUBLCHQWLVCNI-OAQYLSRUSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1Cc1ccccc1 ZINC001171972642 1137523951 /nfs/dbraw/zinc/52/39/51/1137523951.db2.gz RVUBLCHQWLVCNI-OAQYLSRUSA-N 2 1 338.495 3.712 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC3(COC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976259 1137525443 /nfs/dbraw/zinc/52/54/43/1137525443.db2.gz JQNSBWCQSPUAOH-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976259 1137525444 /nfs/dbraw/zinc/52/54/44/1137525444.db2.gz JQNSBWCQSPUAOH-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171983018 1137526760 /nfs/dbraw/zinc/52/67/60/1137526760.db2.gz LXRSSLGXJHQLHR-RTBURBONSA-N 2 1 328.500 3.588 20 0 EHADMP CN(CC[NH+]1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076893 1137530323 /nfs/dbraw/zinc/53/03/23/1137530323.db2.gz ASFQSUJTRUHNHK-KOUNCHBCSA-N 2 1 341.543 3.600 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC4(COC4)CC2)C3)cc1 ZINC001172079774 1137530964 /nfs/dbraw/zinc/53/09/64/1137530964.db2.gz REKVWZFFKZICSE-AERCQKQUSA-N 2 1 340.511 3.685 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172067898 1137534201 /nfs/dbraw/zinc/53/42/01/1137534201.db2.gz GIIPOOIHMVNGBL-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172067898 1137534203 /nfs/dbraw/zinc/53/42/03/1137534203.db2.gz GIIPOOIHMVNGBL-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172067898 1137534204 /nfs/dbraw/zinc/53/42/04/1137534204.db2.gz GIIPOOIHMVNGBL-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172067898 1137534206 /nfs/dbraw/zinc/53/42/06/1137534206.db2.gz GIIPOOIHMVNGBL-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC4(C2)CCCOC4)C3)cc1 ZINC001172068765 1137534286 /nfs/dbraw/zinc/53/42/86/1137534286.db2.gz KMGZQASYWJTSJO-WKCHPHFGSA-N 2 1 340.511 3.685 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(n3cnc4ccccc43)CC1)C2 ZINC001172134005 1137536112 /nfs/dbraw/zinc/53/61/12/1137536112.db2.gz VYYPLNZTFFJKJA-BWTSREIZSA-N 2 1 338.499 3.689 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(n3cnc4ccccc43)CC1)C2 ZINC001172134005 1137536113 /nfs/dbraw/zinc/53/61/13/1137536113.db2.gz VYYPLNZTFFJKJA-BWTSREIZSA-N 2 1 338.499 3.689 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC001172102319 1137536286 /nfs/dbraw/zinc/53/62/86/1137536286.db2.gz LYVJJPNVAQFPEV-BTTYYORXSA-N 2 1 330.369 3.949 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109178 1137537168 /nfs/dbraw/zinc/53/71/68/1137537168.db2.gz HLSOAPOVXVBCFW-OSYLJGHBSA-N 2 1 337.305 3.862 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172225933 1137542252 /nfs/dbraw/zinc/54/22/52/1137542252.db2.gz YAXRCXRQHQNLNQ-DLZDZTESSA-N 2 1 344.499 3.666 20 0 EHADMP C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C[C@H]1C ZINC001172375274 1137549620 /nfs/dbraw/zinc/54/96/20/1137549620.db2.gz GAAWGOQLGISEHE-QRVBRYPASA-N 2 1 344.547 3.552 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001172337986 1137551790 /nfs/dbraw/zinc/55/17/90/1137551790.db2.gz XOLZNXGHFGNLRC-IAGOWNOFSA-N 2 1 334.504 3.539 20 0 EHADMP CC(C)O[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000871784442 1137558114 /nfs/dbraw/zinc/55/81/14/1137558114.db2.gz FTKHIBKTYWUKFX-IPQPSQTFSA-N 2 1 345.487 3.524 20 0 EHADMP CC(C)O[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000871784442 1137558115 /nfs/dbraw/zinc/55/81/15/1137558115.db2.gz FTKHIBKTYWUKFX-IPQPSQTFSA-N 2 1 345.487 3.524 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@H]2CCC[C@H]21 ZINC000872115656 1137572130 /nfs/dbraw/zinc/57/21/30/1137572130.db2.gz GAOOKRSHGAJECO-HZSPNIEDSA-N 2 1 347.812 3.716 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@H]2CCC[C@H]21 ZINC000872115656 1137572131 /nfs/dbraw/zinc/57/21/31/1137572131.db2.gz GAOOKRSHGAJECO-HZSPNIEDSA-N 2 1 347.812 3.716 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+](C)CCCCCC[NH3+])cs2)cc1 ZINC000872155159 1137573986 /nfs/dbraw/zinc/57/39/86/1137573986.db2.gz FAVAFSHYNGFTSP-UHFFFAOYSA-N 2 1 333.501 3.770 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)C[C@H]1C(F)(F)F ZINC000872149808 1137574116 /nfs/dbraw/zinc/57/41/16/1137574116.db2.gz BLEYBHSIDAKXQM-SJKOYZFVSA-N 2 1 332.369 3.825 20 0 EHADMP COc1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1Cl ZINC000873213841 1137594091 /nfs/dbraw/zinc/59/40/91/1137594091.db2.gz RJLAWLGJKQCYKH-UHFFFAOYSA-N 2 1 336.888 3.688 20 0 EHADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231746 1137594523 /nfs/dbraw/zinc/59/45/23/1137594523.db2.gz CZJRNUXLRBUSFK-YLJYHZDGSA-N 2 1 332.536 3.892 20 0 EHADMP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000873283434 1137596335 /nfs/dbraw/zinc/59/63/35/1137596335.db2.gz TXETWLGQGZOPIQ-BRWVUGGUSA-N 2 1 342.512 3.606 20 0 EHADMP Nc1cc(F)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000873289683 1137596674 /nfs/dbraw/zinc/59/66/74/1137596674.db2.gz WQBJVBOEEHAWBK-MZADTFQBSA-N 2 1 339.458 3.693 20 0 EHADMP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CS1 ZINC000876865725 1137664123 /nfs/dbraw/zinc/66/41/23/1137664123.db2.gz GEGSLZJQGFGTBS-MAUKXSAKSA-N 2 1 333.545 3.771 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000876959179 1137666263 /nfs/dbraw/zinc/66/62/63/1137666263.db2.gz PKKUCTRSYBSAPU-VLMPBXDWSA-N 2 1 332.469 3.810 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876988628 1137666948 /nfs/dbraw/zinc/66/69/48/1137666948.db2.gz HPTIFWKWUMKOTI-QGZVFWFLSA-N 2 1 347.503 3.855 20 0 EHADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876989424 1137667230 /nfs/dbraw/zinc/66/72/30/1137667230.db2.gz YUWHCFORQNKENA-CVEARBPZSA-N 2 1 327.299 3.682 20 0 EHADMP ClC1(Cl)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000877033368 1137668279 /nfs/dbraw/zinc/66/82/79/1137668279.db2.gz XGTIGRJZSHNSBA-MGNMYUMUSA-N 2 1 339.310 3.965 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000878047005 1137700714 /nfs/dbraw/zinc/70/07/14/1137700714.db2.gz DLWJBUUTOCGJBW-UHFFFAOYSA-N 2 1 333.520 3.742 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000878047005 1137700715 /nfs/dbraw/zinc/70/07/15/1137700715.db2.gz DLWJBUUTOCGJBW-UHFFFAOYSA-N 2 1 333.520 3.742 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000879203764 1137741103 /nfs/dbraw/zinc/74/11/03/1137741103.db2.gz VLGWREVWQYAPJV-PMACEKPBSA-N 2 1 328.500 3.857 20 0 EHADMP C[C@H](c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579536 1137751540 /nfs/dbraw/zinc/75/15/40/1137751540.db2.gz NJRXXHIAMDGVQJ-KBRIMQKVSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1)C(F)(F)F ZINC000879579536 1137751541 /nfs/dbraw/zinc/75/15/41/1137751541.db2.gz NJRXXHIAMDGVQJ-KBRIMQKVSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1)C(F)(F)F ZINC000879579536 1137751542 /nfs/dbraw/zinc/75/15/42/1137751542.db2.gz NJRXXHIAMDGVQJ-KBRIMQKVSA-N 2 1 326.406 3.878 20 0 EHADMP C[C@H](c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1)C(F)(F)F ZINC000879579536 1137751543 /nfs/dbraw/zinc/75/15/43/1137751543.db2.gz NJRXXHIAMDGVQJ-KBRIMQKVSA-N 2 1 326.406 3.878 20 0 EHADMP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880205575 1137771097 /nfs/dbraw/zinc/77/10/97/1137771097.db2.gz SOHNXPLLTBJBLN-DQPZFDDXSA-N 2 1 348.453 3.588 20 0 EHADMP FC(F)(F)C1CCC(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880205575 1137771098 /nfs/dbraw/zinc/77/10/98/1137771098.db2.gz SOHNXPLLTBJBLN-DQPZFDDXSA-N 2 1 348.453 3.588 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc2)n1 ZINC000880475049 1137779653 /nfs/dbraw/zinc/77/96/53/1137779653.db2.gz SHMOTZMXAPSFER-UHFFFAOYSA-N 2 1 338.499 3.549 20 0 EHADMP COCc1c(C)cc(C)c(C[NH2+]CCCCn2cc[nH+]c2C)c1C ZINC000883017500 1137841741 /nfs/dbraw/zinc/84/17/41/1137841741.db2.gz OITPCTRLQWAPBU-UHFFFAOYSA-N 2 1 329.488 3.833 20 0 EHADMP CC(C)c1c[nH]c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000883074917 1137843493 /nfs/dbraw/zinc/84/34/93/1137843493.db2.gz MRVBYTHLMJYACA-HKUYNNGSSA-N 2 1 340.515 3.923 20 0 EHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883092241 1137844352 /nfs/dbraw/zinc/84/43/52/1137844352.db2.gz JXAFUJQKBSLADQ-UHFFFAOYSA-N 2 1 332.444 3.520 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1sccc1Cl ZINC000883188614 1137847806 /nfs/dbraw/zinc/84/78/06/1137847806.db2.gz NEWSXABDVFLWAG-ZFWWWQNUSA-N 2 1 330.925 3.679 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2ccccc2[nH]c1=O ZINC001137188564 1137858250 /nfs/dbraw/zinc/85/82/50/1137858250.db2.gz CRGGDWUILGMIOX-RBUKOAKNSA-N 2 1 339.483 3.779 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC001137188564 1137858251 /nfs/dbraw/zinc/85/82/51/1137858251.db2.gz CRGGDWUILGMIOX-RBUKOAKNSA-N 2 1 339.483 3.779 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC001137188564 1137858252 /nfs/dbraw/zinc/85/82/52/1137858252.db2.gz CRGGDWUILGMIOX-RBUKOAKNSA-N 2 1 339.483 3.779 20 0 EHADMP CC1(C)Cc2occc2[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000331644615 1137915839 /nfs/dbraw/zinc/91/58/39/1137915839.db2.gz VLEDWPVEQBWFKP-ZBFHGGJFSA-N 2 1 333.476 3.520 20 0 EHADMP CC1(C)Cc2occc2[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000331644615 1137915840 /nfs/dbraw/zinc/91/58/40/1137915840.db2.gz VLEDWPVEQBWFKP-ZBFHGGJFSA-N 2 1 333.476 3.520 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000885956563 1138028712 /nfs/dbraw/zinc/02/87/12/1138028712.db2.gz SJLRIWGJBKBGFE-KZNAEPCWSA-N 2 1 336.545 3.897 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000885956563 1138028714 /nfs/dbraw/zinc/02/87/14/1138028714.db2.gz SJLRIWGJBKBGFE-KZNAEPCWSA-N 2 1 336.545 3.897 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886286793 1138064367 /nfs/dbraw/zinc/06/43/67/1138064367.db2.gz CSCMRTYVQQWNGH-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886286793 1138064369 /nfs/dbraw/zinc/06/43/69/1138064369.db2.gz CSCMRTYVQQWNGH-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000886506372 1138085848 /nfs/dbraw/zinc/08/58/48/1138085848.db2.gz OKYYCDZUDSNSGU-DOXZYTNZSA-N 2 1 327.447 3.901 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000886506371 1138086105 /nfs/dbraw/zinc/08/61/05/1138086105.db2.gz OKYYCDZUDSNSGU-CLCXKQKWSA-N 2 1 327.447 3.901 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cnn(C)c1 ZINC000886517604 1138088514 /nfs/dbraw/zinc/08/85/14/1138088514.db2.gz JRXRHFHQAFNITL-HXUWFJFHSA-N 2 1 332.536 3.752 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000072965560 1138109548 /nfs/dbraw/zinc/10/95/48/1138109548.db2.gz JEJHAYOAWUXCOZ-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000072965560 1138109549 /nfs/dbraw/zinc/10/95/49/1138109549.db2.gz JEJHAYOAWUXCOZ-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072965560 1138109550 /nfs/dbraw/zinc/10/95/50/1138109550.db2.gz JEJHAYOAWUXCOZ-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072965560 1138109552 /nfs/dbraw/zinc/10/95/52/1138109552.db2.gz JEJHAYOAWUXCOZ-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3ccccc3OC3CC3)CC2)[nH+]c1C ZINC000886660662 1138110188 /nfs/dbraw/zinc/11/01/88/1138110188.db2.gz CHEFDPPDQXNXPQ-UHFFFAOYSA-N 2 1 325.456 3.947 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000348401365 1138187242 /nfs/dbraw/zinc/18/72/42/1138187242.db2.gz BCDSCRZPGZRCSS-IIBYNOLFSA-N 2 1 338.499 3.848 20 0 EHADMP Clc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000089551953 1138201348 /nfs/dbraw/zinc/20/13/48/1138201348.db2.gz DJUDZVQCDSBOJK-IAGOWNOFSA-N 2 1 348.918 3.605 20 0 EHADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n2n1 ZINC000091731965 1138221595 /nfs/dbraw/zinc/22/15/95/1138221595.db2.gz SESSPXAEJYHONC-MRXNPFEDSA-N 2 1 331.508 3.506 20 0 EHADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253354 1138226325 /nfs/dbraw/zinc/22/63/25/1138226325.db2.gz FIMMAFUCTLHRIG-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253354 1138226328 /nfs/dbraw/zinc/22/63/28/1138226328.db2.gz FIMMAFUCTLHRIG-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000092253354 1138226330 /nfs/dbraw/zinc/22/63/30/1138226330.db2.gz FIMMAFUCTLHRIG-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000092253354 1138226332 /nfs/dbraw/zinc/22/63/32/1138226332.db2.gz FIMMAFUCTLHRIG-AWEZNQCLSA-N 2 1 340.895 3.521 20 0 EHADMP CCc1nc2ccccc2n1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000093301918 1138235514 /nfs/dbraw/zinc/23/55/14/1138235514.db2.gz QLPVNFXQHXRXMP-QGZVFWFLSA-N 2 1 340.515 3.720 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122713605 1138261053 /nfs/dbraw/zinc/26/10/53/1138261053.db2.gz MPFQDLWXDGFASG-AWEZNQCLSA-N 2 1 344.330 3.624 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000134785032 1138705554 /nfs/dbraw/zinc/70/55/54/1138705554.db2.gz MFNNMFYZHVLBLU-DPZWOIPNSA-N 2 1 337.467 3.789 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)c2)CCO1 ZINC000337991746 1138718473 /nfs/dbraw/zinc/71/84/73/1138718473.db2.gz WXUCHFWWJJITNS-HBGVWJBISA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)c2)CCO1 ZINC000337991746 1138718476 /nfs/dbraw/zinc/71/84/76/1138718476.db2.gz WXUCHFWWJJITNS-HBGVWJBISA-N 2 1 328.500 3.576 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000338007194 1138722515 /nfs/dbraw/zinc/72/25/15/1138722515.db2.gz KKNBTLHRCBBLPD-XYJFISCASA-N 2 1 327.447 3.782 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000338007194 1138722519 /nfs/dbraw/zinc/72/25/19/1138722519.db2.gz KKNBTLHRCBBLPD-XYJFISCASA-N 2 1 327.447 3.782 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCc4c3c(F)ccc4F)CC2)[nH+]1 ZINC000338165664 1138771923 /nfs/dbraw/zinc/77/19/23/1138771923.db2.gz DSFAHBNEYVIOAG-GOSISDBHSA-N 2 1 343.421 3.914 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)cc1Br ZINC000136048195 1138783036 /nfs/dbraw/zinc/78/30/36/1138783036.db2.gz FLIOOOJXFQJDBD-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000152164302 1139077479 /nfs/dbraw/zinc/07/74/79/1139077479.db2.gz WEFXZJZOWPCFBW-IHRRRGAJSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152164302 1139077486 /nfs/dbraw/zinc/07/74/86/1139077486.db2.gz WEFXZJZOWPCFBW-IHRRRGAJSA-N 2 1 330.394 3.545 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000177008167 1139592673 /nfs/dbraw/zinc/59/26/73/1139592673.db2.gz WGQYOLJXOCAYQU-QAPCUYQASA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000177008167 1139592676 /nfs/dbraw/zinc/59/26/76/1139592676.db2.gz WGQYOLJXOCAYQU-QAPCUYQASA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000177008167 1139592679 /nfs/dbraw/zinc/59/26/79/1139592679.db2.gz WGQYOLJXOCAYQU-QAPCUYQASA-N 2 1 349.544 3.622 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2c(F)cccc2F)[C@H](C)C1 ZINC000178409166 1139692549 /nfs/dbraw/zinc/69/25/49/1139692549.db2.gz UHURGSXZRXDEEF-VKJFTORMSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000179831453 1139787053 /nfs/dbraw/zinc/78/70/53/1139787053.db2.gz JSAQVZHFXQAIJJ-HXUWFJFHSA-N 2 1 346.515 3.682 20 0 EHADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OC ZINC000179831453 1139787056 /nfs/dbraw/zinc/78/70/56/1139787056.db2.gz JSAQVZHFXQAIJJ-HXUWFJFHSA-N 2 1 346.515 3.682 20 0 EHADMP CC[NH+](CC)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180173356 1139815038 /nfs/dbraw/zinc/81/50/38/1139815038.db2.gz TUYFTQAAVDTFHH-SEJPIABJSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C(C)C)cc3)C2)CC1 ZINC000181858230 1139937683 /nfs/dbraw/zinc/93/76/83/1139937683.db2.gz JQTOISGESLLGJY-GHTZIAJQSA-N 2 1 329.532 3.583 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182224922 1139958245 /nfs/dbraw/zinc/95/82/45/1139958245.db2.gz SHWBLCZHTZYMCX-TXPKVOOTSA-N 2 1 343.515 3.949 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCO2 ZINC000183198049 1140019304 /nfs/dbraw/zinc/01/93/04/1140019304.db2.gz IGGUXXBREOALCI-HLLBOEOZSA-N 2 1 330.472 3.719 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000184678675 1140114520 /nfs/dbraw/zinc/11/45/20/1140114520.db2.gz AAQFNJOQHHLACM-SMDDNHRTSA-N 2 1 336.277 3.503 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@H+]1C ZINC000184678675 1140114522 /nfs/dbraw/zinc/11/45/22/1140114522.db2.gz AAQFNJOQHHLACM-SMDDNHRTSA-N 2 1 336.277 3.503 20 0 EHADMP Cc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715659 1140165976 /nfs/dbraw/zinc/16/59/76/1140165976.db2.gz QEGMBZVHYNFPFI-QZTJIDSGSA-N 2 1 343.515 3.566 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000191507773 1140468519 /nfs/dbraw/zinc/46/85/19/1140468519.db2.gz MSEAFIGBJZBHPD-KRWDZBQOSA-N 2 1 335.879 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000191507773 1140468524 /nfs/dbraw/zinc/46/85/24/1140468524.db2.gz MSEAFIGBJZBHPD-KRWDZBQOSA-N 2 1 335.879 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000191507773 1140468527 /nfs/dbraw/zinc/46/85/27/1140468527.db2.gz MSEAFIGBJZBHPD-KRWDZBQOSA-N 2 1 335.879 3.545 20 0 EHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429575975 1140573837 /nfs/dbraw/zinc/57/38/37/1140573837.db2.gz FGRSGERPROJBHP-SJCJKPOMSA-N 2 1 331.847 3.601 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268984000 1141039084 /nfs/dbraw/zinc/03/90/84/1141039084.db2.gz DOPUQSURCPKYKW-QFBILLFUSA-N 2 1 343.902 3.778 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000268984000 1141039093 /nfs/dbraw/zinc/03/90/93/1141039093.db2.gz DOPUQSURCPKYKW-QFBILLFUSA-N 2 1 343.902 3.778 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000269055334 1141056849 /nfs/dbraw/zinc/05/68/49/1141056849.db2.gz SBLWTAXUBKUEDL-AUUYWEPGSA-N 2 1 341.480 3.801 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076059 1141061229 /nfs/dbraw/zinc/06/12/29/1141061229.db2.gz YNQYMRNXJAXJDS-POAQFYNOSA-N 2 1 344.524 3.598 20 0 EHADMP O[C@@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1Cl ZINC000270324960 1141206653 /nfs/dbraw/zinc/20/66/53/1141206653.db2.gz JYGPUZXITDSODO-ABAIWWIYSA-N 2 1 340.254 3.630 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000270547228 1141238616 /nfs/dbraw/zinc/23/86/16/1141238616.db2.gz ZCNLPPAOPMIBOY-PWRODBHTSA-N 2 1 340.511 3.507 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271345793 1141349298 /nfs/dbraw/zinc/34/92/98/1141349298.db2.gz CUUJIFOQLHFANE-RTWAWAEBSA-N 2 1 348.506 3.626 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548235 1141394819 /nfs/dbraw/zinc/39/48/19/1141394819.db2.gz UNLXGVVVAYMCPS-UYHISHBKSA-N 2 1 340.870 3.508 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccsc3C)CC2)oc1C ZINC000339253338 1141541237 /nfs/dbraw/zinc/54/12/37/1141541237.db2.gz KVTFYPVDLLFEBN-UHFFFAOYSA-N 2 1 333.501 3.663 20 0 EHADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348646226 1141561462 /nfs/dbraw/zinc/56/14/62/1141561462.db2.gz PDMCZVYQZLGLGZ-HSZRJFAPSA-N 2 1 349.522 3.921 20 0 EHADMP Cc1ccc(CCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646226 1141561467 /nfs/dbraw/zinc/56/14/67/1141561467.db2.gz PDMCZVYQZLGLGZ-HSZRJFAPSA-N 2 1 349.522 3.921 20 0 EHADMP Cc1ccc(CCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646226 1141561472 /nfs/dbraw/zinc/56/14/72/1141561472.db2.gz PDMCZVYQZLGLGZ-HSZRJFAPSA-N 2 1 349.522 3.921 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000035044084 521579420 /nfs/dbraw/zinc/57/94/20/521579420.db2.gz XBBAFTKAOGUWNV-LBPRGKRZSA-N 2 1 341.293 3.593 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000037649420 525390260 /nfs/dbraw/zinc/39/02/60/525390260.db2.gz SPXKQYAJYFOEQE-RYUDHWBXSA-N 2 1 341.268 3.723 20 0 EHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C1)CCCC2 ZINC000299740300 564150559 /nfs/dbraw/zinc/15/05/59/564150559.db2.gz YEGDNMVBRXCFHY-MRXNPFEDSA-N 2 1 341.503 3.538 20 0 EHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C1)CCCC2 ZINC000299740300 564150560 /nfs/dbraw/zinc/15/05/60/564150560.db2.gz YEGDNMVBRXCFHY-MRXNPFEDSA-N 2 1 341.503 3.538 20 0 EHADMP Cc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164793957 721489000 /nfs/dbraw/zinc/48/90/00/721489000.db2.gz ZAXGPVUPSCJXFJ-UHFFFAOYSA-N 2 1 336.483 3.666 20 0 EHADMP Cc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164793957 721489008 /nfs/dbraw/zinc/48/90/08/721489008.db2.gz ZAXGPVUPSCJXFJ-UHFFFAOYSA-N 2 1 336.483 3.666 20 0 EHADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537971705 1032072941 /nfs/dbraw/zinc/07/29/41/1032072941.db2.gz CNPVTCILGXXYIK-UGKGYDQZSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537971705 1032072952 /nfs/dbraw/zinc/07/29/52/1032072952.db2.gz CNPVTCILGXXYIK-UGKGYDQZSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000537973345 1032074153 /nfs/dbraw/zinc/07/41/53/1032074153.db2.gz HCUKFMJGYTVELZ-SIKLNZKXSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000537973345 1032074172 /nfs/dbraw/zinc/07/41/72/1032074172.db2.gz HCUKFMJGYTVELZ-SIKLNZKXSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013821 1031971949 /nfs/dbraw/zinc/97/19/49/1031971949.db2.gz ZEQYJHRZXRKCLY-NWDGAFQWSA-N 2 1 331.323 3.811 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013821 1031971966 /nfs/dbraw/zinc/97/19/66/1031971966.db2.gz ZEQYJHRZXRKCLY-NWDGAFQWSA-N 2 1 331.323 3.811 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000530460303 1014580584 /nfs/dbraw/zinc/58/05/84/1014580584.db2.gz JILRCBVWKSDFJO-OAQYLSRUSA-N 2 1 333.479 3.796 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000274900596 1015607204 /nfs/dbraw/zinc/60/72/04/1015607204.db2.gz LCWWNWIRLCUADZ-AWEZNQCLSA-N 2 1 333.863 3.526 20 0 EHADMP Cc1cc(F)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000343737635 1032121828 /nfs/dbraw/zinc/12/18/28/1032121828.db2.gz RKBZTZLSUUAYBC-UHFFFAOYSA-N 2 1 327.447 3.878 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547732831 1015685424 /nfs/dbraw/zinc/68/54/24/1015685424.db2.gz BGTAJYBHEAFPBE-NSHGMRRFSA-N 2 1 349.563 3.505 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547732831 1015685427 /nfs/dbraw/zinc/68/54/27/1015685427.db2.gz BGTAJYBHEAFPBE-NSHGMRRFSA-N 2 1 349.563 3.505 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547732831 1015685430 /nfs/dbraw/zinc/68/54/30/1015685430.db2.gz BGTAJYBHEAFPBE-NSHGMRRFSA-N 2 1 349.563 3.505 20 0 EHADMP c1[nH+]c(C2CC[NH+](CCOCC3CCCC3)CC2)n2c1CCCC2 ZINC000459446184 1032132517 /nfs/dbraw/zinc/13/25/17/1032132517.db2.gz TUYHFZOBENPRJT-UHFFFAOYSA-N 2 1 331.504 3.606 20 0 EHADMP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459449342 1032137671 /nfs/dbraw/zinc/13/76/71/1032137671.db2.gz MSTCNNOSDFKRBL-PZJWPPBQSA-N 2 1 328.500 3.901 20 0 EHADMP Cn1ccnc1[C@@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000127700210 1032143656 /nfs/dbraw/zinc/14/36/56/1032143656.db2.gz WEAVXFGXLARYFL-NJAFHUGGSA-N 2 1 344.528 3.605 20 0 EHADMP C[C@@]12C[NH+](CC3(O)CCCCC3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000705934970 1016669212 /nfs/dbraw/zinc/66/92/12/1016669212.db2.gz QVVGJNGNBZLHMG-OYRHEFFESA-N 2 1 342.527 3.526 20 0 EHADMP C[C@@]12C[NH+](CC3(O)CCCCC3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000705934970 1016669216 /nfs/dbraw/zinc/66/92/16/1016669216.db2.gz QVVGJNGNBZLHMG-OYRHEFFESA-N 2 1 342.527 3.526 20 0 EHADMP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CC1(O)CCCCC1)C2 ZINC000705934970 1016669222 /nfs/dbraw/zinc/66/92/22/1016669222.db2.gz QVVGJNGNBZLHMG-OYRHEFFESA-N 2 1 342.527 3.526 20 0 EHADMP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CC1(O)CCCCC1)C2 ZINC000705934970 1016669229 /nfs/dbraw/zinc/66/92/29/1016669229.db2.gz QVVGJNGNBZLHMG-OYRHEFFESA-N 2 1 342.527 3.526 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000167707526 1016782492 /nfs/dbraw/zinc/78/24/92/1016782492.db2.gz UFNAIGOGFRRKJK-YJBOKZPZSA-N 2 1 347.503 3.648 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000449093462 1032199189 /nfs/dbraw/zinc/19/91/89/1032199189.db2.gz XKKSLJZKEJACCD-CHWSQXEVSA-N 2 1 349.450 3.805 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000449093462 1032199197 /nfs/dbraw/zinc/19/91/97/1032199197.db2.gz XKKSLJZKEJACCD-CHWSQXEVSA-N 2 1 349.450 3.805 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379631043 1032207960 /nfs/dbraw/zinc/20/79/60/1032207960.db2.gz QVMHOHDTCFGQHU-NQIIRXRSSA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379631043 1032207977 /nfs/dbraw/zinc/20/79/77/1032207977.db2.gz QVMHOHDTCFGQHU-NQIIRXRSSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449146747 1032250398 /nfs/dbraw/zinc/25/03/98/1032250398.db2.gz DGYWXBYNTVDADV-XLIONFOSSA-N 2 1 328.500 3.903 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461107766 1032258198 /nfs/dbraw/zinc/25/81/98/1032258198.db2.gz CVHSMYVTMCCMOX-SJLPKXTDSA-N 2 1 348.531 3.691 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000449185238 1032299490 /nfs/dbraw/zinc/29/94/90/1032299490.db2.gz JFYVAWMZIPXEMP-WMZOPIPTSA-N 2 1 335.580 3.880 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000449207650 1032311978 /nfs/dbraw/zinc/31/19/78/1032311978.db2.gz CGXCQYYYRXSMSL-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449234779 1032331145 /nfs/dbraw/zinc/33/11/45/1032331145.db2.gz RCRJVZCVGZKOMJ-IAGOWNOFSA-N 2 1 330.520 3.741 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449234779 1032331150 /nfs/dbraw/zinc/33/11/50/1032331150.db2.gz RCRJVZCVGZKOMJ-IAGOWNOFSA-N 2 1 330.520 3.741 20 0 EHADMP C[C@H](NCc1cc2cccnc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223150 1032340070 /nfs/dbraw/zinc/34/00/70/1032340070.db2.gz FBYPICILOPIDBZ-LPHOPBHVSA-N 2 1 335.451 3.828 20 0 EHADMP C[C@H]([NH2+]Cc1cc2cccnc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223150 1032340094 /nfs/dbraw/zinc/34/00/94/1032340094.db2.gz FBYPICILOPIDBZ-LPHOPBHVSA-N 2 1 335.451 3.828 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000536888134 1032396971 /nfs/dbraw/zinc/39/69/71/1032396971.db2.gz REJINVCKBCJQBE-OAQYLSRUSA-N 3 1 337.596 3.941 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1)CC(C)C ZINC000536888134 1032396982 /nfs/dbraw/zinc/39/69/82/1032396982.db2.gz REJINVCKBCJQBE-OAQYLSRUSA-N 3 1 337.596 3.941 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1)CC(C)C ZINC000536888134 1032396993 /nfs/dbraw/zinc/39/69/93/1032396993.db2.gz REJINVCKBCJQBE-OAQYLSRUSA-N 3 1 337.596 3.941 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1)CC(C)C ZINC000536888134 1032397001 /nfs/dbraw/zinc/39/70/01/1032397001.db2.gz REJINVCKBCJQBE-OAQYLSRUSA-N 2 1 337.596 3.941 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1)CC(C)C ZINC000536888134 1032397012 /nfs/dbraw/zinc/39/70/12/1032397012.db2.gz REJINVCKBCJQBE-OAQYLSRUSA-N 2 1 337.596 3.941 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000459740250 1032455317 /nfs/dbraw/zinc/45/53/17/1032455317.db2.gz TZHLFXPUFWMUTJ-LBPRGKRZSA-N 2 1 332.822 3.763 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000459796690 1032479329 /nfs/dbraw/zinc/47/93/29/1032479329.db2.gz WFRMQMMZPFRQGO-KGLIPLIRSA-N 2 1 325.294 3.832 20 0 EHADMP Clc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000449404569 1032527200 /nfs/dbraw/zinc/52/72/00/1032527200.db2.gz VHNCJNPGDYXOPK-CHWSQXEVSA-N 2 1 329.271 3.589 20 0 EHADMP Clc1ccc2[nH+]ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000089602813 1032532344 /nfs/dbraw/zinc/53/23/44/1032532344.db2.gz RPAZSVGXKDUGEM-HNNXBMFYSA-N 2 1 331.847 3.553 20 0 EHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2o1 ZINC000537342315 1032644144 /nfs/dbraw/zinc/64/41/44/1032644144.db2.gz AFCBGIJHKDOGJH-NQIIRXRSSA-N 2 1 344.499 3.956 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCn1cc[nH+]c1C ZINC000657862389 1032651143 /nfs/dbraw/zinc/65/11/43/1032651143.db2.gz DCCNKUDDRBEXFV-MRXNPFEDSA-N 2 1 336.277 3.565 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000634685134 1017333287 /nfs/dbraw/zinc/33/32/87/1017333287.db2.gz HWQULGBLTRQDRZ-WOJBJXKFSA-N 2 1 342.527 3.836 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000189032526 1017383672 /nfs/dbraw/zinc/38/36/72/1017383672.db2.gz YBLBXZDXCATEAU-UHFFFAOYSA-N 2 1 344.543 3.739 20 0 EHADMP c1ccc(CCCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655708867 1017431218 /nfs/dbraw/zinc/43/12/18/1017431218.db2.gz VDFOABURPAWOEJ-NRFANRHFSA-N 2 1 330.516 3.632 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000655713684 1017436426 /nfs/dbraw/zinc/43/64/26/1017436426.db2.gz SBSDUFXOXHLBNO-UHFFFAOYSA-N 2 1 344.478 3.719 20 0 EHADMP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000449512562 1032700181 /nfs/dbraw/zinc/70/01/81/1032700181.db2.gz PSNKACXXKOBIST-FGZHOGPDSA-N 2 1 346.559 3.572 20 0 EHADMP c1cc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)cs1 ZINC000415036661 1017452723 /nfs/dbraw/zinc/45/27/23/1017452723.db2.gz FXFYTHMAGOEZOJ-BBRMVZONSA-N 2 1 333.526 3.836 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)cs1 ZINC000415036661 1017452732 /nfs/dbraw/zinc/45/27/32/1017452732.db2.gz FXFYTHMAGOEZOJ-BBRMVZONSA-N 2 1 333.526 3.836 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC ZINC000415054647 1017479366 /nfs/dbraw/zinc/47/93/66/1017479366.db2.gz QFLPMTBPCYGLRP-RBUKOAKNSA-N 2 1 346.515 3.838 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415061269 1017488825 /nfs/dbraw/zinc/48/88/25/1017488825.db2.gz ZXENTIAURJRYDG-HOCLYGCPSA-N 2 1 328.378 3.549 20 0 EHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000415109094 1017563354 /nfs/dbraw/zinc/56/33/54/1017563354.db2.gz NOPRHVLEWSQZEF-IRXDYDNUSA-N 2 1 343.298 3.712 20 0 EHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000415118682 1017573975 /nfs/dbraw/zinc/57/39/75/1017573975.db2.gz DVHCGIVLZHWABJ-SJORKVTESA-N 2 1 343.298 3.712 20 0 EHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000415119328 1017577412 /nfs/dbraw/zinc/57/74/12/1017577412.db2.gz FHZIXNKBOQGJRG-WBVHZDCISA-N 2 1 343.298 3.712 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000275604935 1017611935 /nfs/dbraw/zinc/61/19/35/1017611935.db2.gz QQNBYSFOIKSTJK-OLZOCXBDSA-N 2 1 339.361 3.695 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000121637280 1017682894 /nfs/dbraw/zinc/68/28/94/1017682894.db2.gz RNHSLRMTCNYPKD-IBGZPJMESA-N 2 1 338.470 3.762 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639176895 1017904332 /nfs/dbraw/zinc/90/43/32/1017904332.db2.gz MJPKXGHHTWNNBL-IBGZPJMESA-N 2 1 340.515 3.684 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639176895 1017904336 /nfs/dbraw/zinc/90/43/36/1017904336.db2.gz MJPKXGHHTWNNBL-IBGZPJMESA-N 2 1 340.515 3.684 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137748076 1017904875 /nfs/dbraw/zinc/90/48/75/1017904875.db2.gz BKWQLJLDIFWRED-LJQANCHMSA-N 2 1 345.531 3.604 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137748076 1017904887 /nfs/dbraw/zinc/90/48/87/1017904887.db2.gz BKWQLJLDIFWRED-LJQANCHMSA-N 2 1 345.531 3.604 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137748076 1017904901 /nfs/dbraw/zinc/90/49/01/1017904901.db2.gz BKWQLJLDIFWRED-LJQANCHMSA-N 2 1 345.531 3.604 20 0 EHADMP Cc1c(Br)cccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000574172914 1032749573 /nfs/dbraw/zinc/74/95/73/1032749573.db2.gz YUGUFQWVSUXVGM-UHFFFAOYSA-N 2 1 325.294 3.720 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043347 1032756539 /nfs/dbraw/zinc/75/65/39/1032756539.db2.gz OWJAOOGRCJVZRF-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043347 1032756562 /nfs/dbraw/zinc/75/65/62/1032756562.db2.gz OWJAOOGRCJVZRF-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043347 1032756572 /nfs/dbraw/zinc/75/65/72/1032756572.db2.gz OWJAOOGRCJVZRF-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccsc4)s3)CC[C@@H]21 ZINC000092043347 1032756576 /nfs/dbraw/zinc/75/65/76/1032756576.db2.gz OWJAOOGRCJVZRF-BBRMVZONSA-N 2 1 333.526 3.788 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593097334 1032757799 /nfs/dbraw/zinc/75/77/99/1032757799.db2.gz YKHJRXHQVMNGLF-KRWDZBQOSA-N 2 1 335.492 3.558 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593097334 1032757810 /nfs/dbraw/zinc/75/78/10/1032757810.db2.gz YKHJRXHQVMNGLF-KRWDZBQOSA-N 2 1 335.492 3.558 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]Cc1ccc3cnccc3c1)C2 ZINC000683765652 1018422776 /nfs/dbraw/zinc/42/27/76/1018422776.db2.gz VRQPREYBTYQKJG-UHFFFAOYSA-N 2 1 331.463 3.773 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1ccc3cnccc3c1)C2 ZINC000683765652 1018422785 /nfs/dbraw/zinc/42/27/85/1018422785.db2.gz VRQPREYBTYQKJG-UHFFFAOYSA-N 2 1 331.463 3.773 20 0 EHADMP C[C@H]1C[C@H](NCc2cn3ccnc3s2)CC[N@H+]1Cc1ccccc1 ZINC000893097918 1018461735 /nfs/dbraw/zinc/46/17/35/1018461735.db2.gz ACSQIRVNYYYJHS-DOTOQJQBSA-N 2 1 340.496 3.539 20 0 EHADMP Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098639 1018474775 /nfs/dbraw/zinc/47/47/75/1018474775.db2.gz QCOZMHSKWCFSHK-QFBILLFUSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098639 1018474792 /nfs/dbraw/zinc/47/47/92/1018474792.db2.gz QCOZMHSKWCFSHK-QFBILLFUSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098639 1018474800 /nfs/dbraw/zinc/47/48/00/1018474800.db2.gz QCOZMHSKWCFSHK-QFBILLFUSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098639 1018474811 /nfs/dbraw/zinc/47/48/11/1018474811.db2.gz QCOZMHSKWCFSHK-QFBILLFUSA-N 2 1 327.447 3.672 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000449550988 1032772104 /nfs/dbraw/zinc/77/21/04/1032772104.db2.gz FCOROLNGQMNJCM-QGZVFWFLSA-N 2 1 344.421 3.857 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1 ZINC000191595677 1032815954 /nfs/dbraw/zinc/81/59/54/1032815954.db2.gz JZYBKTVHILSQEP-DYESRHJHSA-N 2 1 349.478 3.743 20 0 EHADMP C[NH2+]Cc1ccc(Nc2cc[nH+]c(CNC(=O)OC(C)(C)C)c2)cc1 ZINC001211130333 1019518527 /nfs/dbraw/zinc/51/85/27/1019518527.db2.gz LXXABSJZALWEFQ-UHFFFAOYSA-N 2 1 342.443 3.569 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513377968 1019580131 /nfs/dbraw/zinc/58/01/31/1019580131.db2.gz XUVFCZMMVBVVRX-GOSISDBHSA-N 2 1 346.563 3.633 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513377968 1019580143 /nfs/dbraw/zinc/58/01/43/1019580143.db2.gz XUVFCZMMVBVVRX-GOSISDBHSA-N 2 1 346.563 3.633 20 0 EHADMP COc1ccsc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000580607139 1019738608 /nfs/dbraw/zinc/73/86/08/1019738608.db2.gz GGXCIMJLGLVHFS-ROUUACIJSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000580607139 1019738625 /nfs/dbraw/zinc/73/86/25/1019738625.db2.gz GGXCIMJLGLVHFS-ROUUACIJSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000580607139 1019738641 /nfs/dbraw/zinc/73/86/41/1019738641.db2.gz GGXCIMJLGLVHFS-ROUUACIJSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000580607139 1019738659 /nfs/dbraw/zinc/73/86/59/1019738659.db2.gz GGXCIMJLGLVHFS-ROUUACIJSA-N 2 1 342.508 3.711 20 0 EHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000513684021 1019936620 /nfs/dbraw/zinc/93/66/20/1019936620.db2.gz ODDHKHIPKYPJQS-SFHVURJKSA-N 2 1 343.540 3.503 20 0 EHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000513684021 1019936633 /nfs/dbraw/zinc/93/66/33/1019936633.db2.gz ODDHKHIPKYPJQS-SFHVURJKSA-N 2 1 343.540 3.503 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000513678965 1019942422 /nfs/dbraw/zinc/94/24/22/1019942422.db2.gz SPZGTRWBVRAYQN-YGWPLHOASA-N 2 1 343.515 3.634 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071256 1020400786 /nfs/dbraw/zinc/40/07/86/1020400786.db2.gz JLVKKVXRYWPQJN-IEBWSBKVSA-N 2 1 330.516 3.977 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071256 1020400793 /nfs/dbraw/zinc/40/07/93/1020400793.db2.gz JLVKKVXRYWPQJN-IEBWSBKVSA-N 2 1 330.516 3.977 20 0 EHADMP Fc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168402433 1032899005 /nfs/dbraw/zinc/89/90/05/1032899005.db2.gz ZJOQJKKDGUOUDR-GCJKJVERSA-N 2 1 338.470 3.795 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000430540917 1020552722 /nfs/dbraw/zinc/55/27/22/1020552722.db2.gz HRTSXPJTWSHOPE-HXUWFJFHSA-N 2 1 339.483 3.744 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000430540917 1020552732 /nfs/dbraw/zinc/55/27/32/1020552732.db2.gz HRTSXPJTWSHOPE-HXUWFJFHSA-N 2 1 339.483 3.744 20 0 EHADMP CC(C)[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000548156421 1020564238 /nfs/dbraw/zinc/56/42/38/1020564238.db2.gz HSSASRSGHTXLOB-HJNYFJLDSA-N 2 1 343.559 3.607 20 0 EHADMP c1ncc(C[N@H+]2CC[C@H](C3CC3)C2)cc1C[NH+]1CC[C@H](C2CC2)C1 ZINC000581529561 1021059683 /nfs/dbraw/zinc/05/96/83/1021059683.db2.gz HYZPQWWKGBQSOY-SFTDATJTSA-N 2 1 325.500 3.545 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261975048 1021202716 /nfs/dbraw/zinc/20/27/16/1021202716.db2.gz IPAMAUIJANWDHJ-UHFFFAOYSA-N 2 1 336.479 3.938 20 0 EHADMP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964068 1021246246 /nfs/dbraw/zinc/24/62/46/1021246246.db2.gz MQHYZHUVBIMTPO-AYHJJNSGSA-N 2 1 349.316 3.944 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2C1 ZINC000427266383 1021279751 /nfs/dbraw/zinc/27/97/51/1021279751.db2.gz SFMFNDVYEHXEAK-QGZVFWFLSA-N 2 1 343.515 3.767 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000507483236 1021301131 /nfs/dbraw/zinc/30/11/31/1021301131.db2.gz GXXBKAGWTVAYKP-QHAWAJNXSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCCOC1 ZINC000507520170 1021327065 /nfs/dbraw/zinc/32/70/65/1021327065.db2.gz NQGKORCANCAWPR-LVCYWYKZSA-N 2 1 330.516 3.966 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785131 1021340129 /nfs/dbraw/zinc/34/01/29/1021340129.db2.gz JESPTBVPTJALGE-SFHVURJKSA-N 2 1 345.506 3.638 20 0 EHADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OCc1cccs1 ZINC000656789563 1021350158 /nfs/dbraw/zinc/35/01/58/1021350158.db2.gz QRFXZMFWFNWUHL-UHFFFAOYSA-N 2 1 346.496 3.697 20 0 EHADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OCc1ccccc1 ZINC000656789682 1021350821 /nfs/dbraw/zinc/35/08/21/1021350821.db2.gz VGFRHTLFSQQHBR-UHFFFAOYSA-N 2 1 340.467 3.635 20 0 EHADMP Cn1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1C(F)(F)F ZINC001167961481 1021439494 /nfs/dbraw/zinc/43/94/94/1021439494.db2.gz LWQRTVNATVYRAR-GOOCMWNKSA-N 2 1 341.421 3.539 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000581674712 1021441789 /nfs/dbraw/zinc/44/17/89/1021441789.db2.gz SHGFWSMYGOMZAU-APWZRJJASA-N 2 1 340.467 3.586 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000581674712 1021441798 /nfs/dbraw/zinc/44/17/98/1021441798.db2.gz SHGFWSMYGOMZAU-APWZRJJASA-N 2 1 340.467 3.586 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246805016 1021476418 /nfs/dbraw/zinc/47/64/18/1021476418.db2.gz AHDDCHLBPCEPNV-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246805016 1021476425 /nfs/dbraw/zinc/47/64/25/1021476425.db2.gz AHDDCHLBPCEPNV-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246805016 1021476430 /nfs/dbraw/zinc/47/64/30/1021476430.db2.gz AHDDCHLBPCEPNV-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000246805016 1021476435 /nfs/dbraw/zinc/47/64/35/1021476435.db2.gz AHDDCHLBPCEPNV-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000684378993 1021478477 /nfs/dbraw/zinc/47/84/77/1021478477.db2.gz UAOZRCNRFWVNRO-RTWAWAEBSA-N 2 1 330.516 3.659 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261941726 1021553151 /nfs/dbraw/zinc/55/31/51/1021553151.db2.gz MSCCPNRZFXRNJO-UHFFFAOYSA-N 2 1 326.406 3.978 20 0 EHADMP COc1ccc(C(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965323 1021764635 /nfs/dbraw/zinc/76/46/35/1021764635.db2.gz BAIJZTYYJNTGFT-YQQQUEKLSA-N 2 1 328.500 3.925 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000607143481 1033010560 /nfs/dbraw/zinc/01/05/60/1033010560.db2.gz PASUHTUJBXFRTG-KGLIPLIRSA-N 2 1 347.409 3.605 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000517041921 1021973865 /nfs/dbraw/zinc/97/38/65/1021973865.db2.gz SHBMQHOZZWVTKQ-BEFAXECRSA-N 2 1 325.456 3.791 20 0 EHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000276652107 1022053567 /nfs/dbraw/zinc/05/35/67/1022053567.db2.gz MLJXSBSQOROALU-SFHVURJKSA-N 2 1 325.481 3.906 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncc(COC)s2)CC1 ZINC000341520003 1022054929 /nfs/dbraw/zinc/05/49/29/1022054929.db2.gz AUFFOEQPRDLJIY-UHFFFAOYSA-N 2 1 339.549 3.624 20 0 EHADMP Cc1ccc(SCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000441227094 1022078488 /nfs/dbraw/zinc/07/84/88/1022078488.db2.gz LVXIBNYAYZLNTQ-YZGWKJHDSA-N 2 1 348.556 3.579 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3cc(F)ccc3o2)C[C@H](C)O1 ZINC000343798918 1033024124 /nfs/dbraw/zinc/02/41/24/1033024124.db2.gz YXOGWJZYOGZXEW-GASCZTMLSA-N 2 1 334.435 3.551 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535004 1022304864 /nfs/dbraw/zinc/30/48/64/1022304864.db2.gz CZRVRKLUDDFSPZ-SIKLNZKXSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535004 1022304878 /nfs/dbraw/zinc/30/48/78/1022304878.db2.gz CZRVRKLUDDFSPZ-SIKLNZKXSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535004 1022304892 /nfs/dbraw/zinc/30/48/92/1022304892.db2.gz CZRVRKLUDDFSPZ-SIKLNZKXSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535004 1022304904 /nfs/dbraw/zinc/30/49/04/1022304904.db2.gz CZRVRKLUDDFSPZ-SIKLNZKXSA-N 2 1 337.511 3.917 20 0 EHADMP c1ccc(OCCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000438119183 1022384145 /nfs/dbraw/zinc/38/41/45/1022384145.db2.gz JKNPOXOYGFOOOW-RXVVDRJESA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119183 1022384163 /nfs/dbraw/zinc/38/41/63/1022384163.db2.gz JKNPOXOYGFOOOW-RXVVDRJESA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119183 1022384175 /nfs/dbraw/zinc/38/41/75/1022384175.db2.gz JKNPOXOYGFOOOW-RXVVDRJESA-N 2 1 328.500 3.794 20 0 EHADMP Fc1ccc2c(c1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971265 1022389284 /nfs/dbraw/zinc/38/92/84/1022389284.db2.gz VRCHGCXKHYTWPN-RGPMPMONSA-N 2 1 330.447 3.644 20 0 EHADMP Fc1ccc2c(c1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971265 1022389302 /nfs/dbraw/zinc/38/93/02/1022389302.db2.gz VRCHGCXKHYTWPN-RGPMPMONSA-N 2 1 330.447 3.644 20 0 EHADMP COc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995592 1022455120 /nfs/dbraw/zinc/45/51/20/1022455120.db2.gz KGRUIYYCLSSGOQ-YOFSQIOKSA-N 2 1 328.500 3.575 20 0 EHADMP Clc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647978639 1022468761 /nfs/dbraw/zinc/46/87/61/1022468761.db2.gz WGNLRIBEEBAVBH-STQMWFEESA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647978639 1022468767 /nfs/dbraw/zinc/46/87/67/1022468767.db2.gz WGNLRIBEEBAVBH-STQMWFEESA-N 2 1 328.287 3.600 20 0 EHADMP CC1CCN(C(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000341610335 1022552139 /nfs/dbraw/zinc/55/21/39/1022552139.db2.gz GNGGFIKOXRUOAF-GOSISDBHSA-N 2 1 342.531 3.675 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602664206 1033062129 /nfs/dbraw/zinc/06/21/29/1033062129.db2.gz UUBUJRONQONVGG-MJGOQNOKSA-N 2 1 344.499 3.533 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602664206 1033062138 /nfs/dbraw/zinc/06/21/38/1033062138.db2.gz UUBUJRONQONVGG-MJGOQNOKSA-N 2 1 344.499 3.533 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000226420719 1033068063 /nfs/dbraw/zinc/06/80/63/1033068063.db2.gz VCKSSMLOTUNZPI-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP CCc1ccc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)nc1 ZINC000517761385 1022640101 /nfs/dbraw/zinc/64/01/01/1022640101.db2.gz NAYJHVULDWAZTN-UHFFFAOYSA-N 2 1 329.532 3.978 20 0 EHADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Cc1cccnc1 ZINC001167979088 1022743548 /nfs/dbraw/zinc/74/35/48/1022743548.db2.gz UXMXMMYPMMMJEJ-IHWFROFDSA-N 2 1 327.516 3.645 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2onc(C)c2c1 ZINC000894767234 1022879367 /nfs/dbraw/zinc/87/93/67/1022879367.db2.gz YCCWMUGVFCORNW-UHFFFAOYSA-N 2 1 338.455 3.615 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000506874462 1022979528 /nfs/dbraw/zinc/97/95/28/1022979528.db2.gz KNGWRXHEBJWTIP-UHFFFAOYSA-N 2 1 334.895 3.542 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cc1O ZINC000426172765 1023039399 /nfs/dbraw/zinc/03/93/99/1023039399.db2.gz CKHOBYUMXMANEJ-QFBILLFUSA-N 2 1 346.515 3.576 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1O ZINC000426172765 1023039407 /nfs/dbraw/zinc/03/94/07/1023039407.db2.gz CKHOBYUMXMANEJ-QFBILLFUSA-N 2 1 346.515 3.576 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000165338770 1023071905 /nfs/dbraw/zinc/07/19/05/1023071905.db2.gz XCDUZQPTWZXXLW-JKSUJKDBSA-N 2 1 344.478 3.702 20 0 EHADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427109302 1023223372 /nfs/dbraw/zinc/22/33/72/1023223372.db2.gz GMAWEZQHOVZEBS-NQIIRXRSSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427109302 1023223381 /nfs/dbraw/zinc/22/33/81/1023223381.db2.gz GMAWEZQHOVZEBS-NQIIRXRSSA-N 2 1 340.442 3.589 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875937 1033154355 /nfs/dbraw/zinc/15/43/55/1033154355.db2.gz JTSBVGYTCISFNQ-HOTGVXAUSA-N 2 1 342.483 3.849 20 0 EHADMP Oc1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001168002010 1024001143 /nfs/dbraw/zinc/00/11/43/1024001143.db2.gz BUWDRPOBXLVGRB-WCRBZPEASA-N 2 1 340.511 3.977 20 0 EHADMP CC(C)(O)C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003270 1024107509 /nfs/dbraw/zinc/10/75/09/1024107509.db2.gz MSIFDSSIJMDPGW-WCRBZPEASA-N 2 1 342.527 3.665 20 0 EHADMP CC(C)(O)C[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003270 1024107514 /nfs/dbraw/zinc/10/75/14/1024107514.db2.gz MSIFDSSIJMDPGW-WCRBZPEASA-N 2 1 342.527 3.665 20 0 EHADMP CC1(C)CCC2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)O1 ZINC001168003523 1024118837 /nfs/dbraw/zinc/11/88/37/1024118837.db2.gz OOQDKOUTVKPGOW-DFNIBXOVSA-N 2 1 332.532 3.815 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000514089676 1024123479 /nfs/dbraw/zinc/12/34/79/1024123479.db2.gz QWAGWLFWMXGWGR-IAGOWNOFSA-N 2 1 348.531 3.797 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105525 1024137244 /nfs/dbraw/zinc/13/72/44/1024137244.db2.gz RPRHAYBBAOFUNH-BBRMVZONSA-N 2 1 330.394 3.968 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000427598202 1024150511 /nfs/dbraw/zinc/15/05/11/1024150511.db2.gz BTHHXAPQAXWRAD-INIZCTEOSA-N 2 1 341.421 3.943 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCCCC1 ZINC000414850517 1024301583 /nfs/dbraw/zinc/30/15/83/1024301583.db2.gz ZHCAPQDSDHQPBG-UHFFFAOYSA-N 2 1 334.357 3.518 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2C)[C@H](C)C1 ZINC000190698147 1024348199 /nfs/dbraw/zinc/34/81/99/1024348199.db2.gz BEZWAJTXRQDZBF-CJNGLKHVSA-N 2 1 325.294 3.577 20 0 EHADMP COC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511007703 1024414835 /nfs/dbraw/zinc/41/48/35/1024414835.db2.gz BWWOZXVIHFFQQZ-UXHICEINSA-N 2 1 332.532 3.938 20 0 EHADMP COC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511007703 1024414840 /nfs/dbraw/zinc/41/48/40/1024414840.db2.gz BWWOZXVIHFFQQZ-UXHICEINSA-N 2 1 332.532 3.938 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000474155504 1024447347 /nfs/dbraw/zinc/44/73/47/1024447347.db2.gz BZJFWRZMIPAUPF-INIZCTEOSA-N 2 1 347.890 3.825 20 0 EHADMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000051958537 1024463415 /nfs/dbraw/zinc/46/34/15/1024463415.db2.gz IOTLAALKGRNFOJ-UHFFFAOYSA-N 2 1 343.298 3.538 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCCCC1 ZINC000414859555 1024518132 /nfs/dbraw/zinc/51/81/32/1024518132.db2.gz MYZYBRDFLOZKJI-QHAWAJNXSA-N 2 1 341.543 3.538 20 0 EHADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@@H](N[C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168028987 1024523993 /nfs/dbraw/zinc/52/39/93/1024523993.db2.gz RQPZCBSXJLYRCE-GXVZMRFDSA-N 2 1 341.543 3.500 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168028987 1024524004 /nfs/dbraw/zinc/52/40/04/1024524004.db2.gz RQPZCBSXJLYRCE-GXVZMRFDSA-N 2 1 341.543 3.500 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@@H](N[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168028987 1024524014 /nfs/dbraw/zinc/52/40/14/1024524014.db2.gz RQPZCBSXJLYRCE-GXVZMRFDSA-N 2 1 341.543 3.500 20 0 EHADMP CCCc1cc(C[NH3+])nn1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029581 1024548772 /nfs/dbraw/zinc/54/87/72/1024548772.db2.gz TWUXSMPGSRQCBO-UPHUGPLXSA-N 2 1 340.515 3.908 20 0 EHADMP Brc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205000813 1024563791 /nfs/dbraw/zinc/56/37/91/1024563791.db2.gz KUXMNLRSIKWPDL-YOEHRIQHSA-N 2 1 337.305 3.976 20 0 EHADMP Fc1cncc([C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000281090216 1024620890 /nfs/dbraw/zinc/62/08/90/1024620890.db2.gz ALCODJOCUQJUDJ-NRFANRHFSA-N 2 1 339.458 3.710 20 0 EHADMP Fc1cncc([C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000281090216 1024620896 /nfs/dbraw/zinc/62/08/96/1024620896.db2.gz ALCODJOCUQJUDJ-NRFANRHFSA-N 2 1 339.458 3.710 20 0 EHADMP CC[C@H]1C[C@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000507817246 1024627225 /nfs/dbraw/zinc/62/72/25/1024627225.db2.gz XKSMRGLWBZQNDK-CTNGQTDRSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H]1C[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817246 1024627233 /nfs/dbraw/zinc/62/72/33/1024627233.db2.gz XKSMRGLWBZQNDK-CTNGQTDRSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H]1C[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817246 1024627241 /nfs/dbraw/zinc/62/72/41/1024627241.db2.gz XKSMRGLWBZQNDK-CTNGQTDRSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H](O)CC(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281100054 1024655221 /nfs/dbraw/zinc/65/52/21/1024655221.db2.gz VTUNVJDSIYFXOV-QHGAOEGBSA-N 2 1 332.532 3.816 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](CC(C)C)c3ccccc3)C2)CC1 ZINC000474275703 1024666435 /nfs/dbraw/zinc/66/64/35/1024666435.db2.gz PEGCVTUYEGKKAL-YADHBBJMSA-N 2 1 343.559 3.528 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000281134142 1024686106 /nfs/dbraw/zinc/68/61/06/1024686106.db2.gz FGSHNQWEZQJUES-ZDUSSCGKSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+]1C ZINC000427691198 1024736330 /nfs/dbraw/zinc/73/63/30/1024736330.db2.gz SXLLMOFSEYZVIQ-PVXIVEMSSA-N 2 1 327.394 3.550 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+]1C ZINC000427691198 1024736340 /nfs/dbraw/zinc/73/63/40/1024736340.db2.gz SXLLMOFSEYZVIQ-PVXIVEMSSA-N 2 1 327.394 3.550 20 0 EHADMP CSc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435383009 1024864609 /nfs/dbraw/zinc/86/46/09/1024864609.db2.gz GJCBPHNWGGYXSW-LJQANCHMSA-N 2 1 341.524 3.948 20 0 EHADMP CSc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435383009 1024864625 /nfs/dbraw/zinc/86/46/25/1024864625.db2.gz GJCBPHNWGGYXSW-LJQANCHMSA-N 2 1 341.524 3.948 20 0 EHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1Cl ZINC000157341980 1024882434 /nfs/dbraw/zinc/88/24/34/1024882434.db2.gz XWYAIZRDXMZQRO-MRXNPFEDSA-N 2 1 349.906 3.619 20 0 EHADMP Cc1ncccc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421892 1024911077 /nfs/dbraw/zinc/91/10/77/1024911077.db2.gz LLMFDOBRZSQFNA-GOSISDBHSA-N 2 1 327.497 3.596 20 0 EHADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414871798 1025046357 /nfs/dbraw/zinc/04/63/57/1025046357.db2.gz DZXLSPINCAFQTE-VQTJNVASSA-N 2 1 327.447 3.626 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000515234905 1025113330 /nfs/dbraw/zinc/11/33/30/1025113330.db2.gz ORYPZVJDUSEWSB-YDXUJSMASA-N 2 1 336.545 3.662 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000515234905 1025113334 /nfs/dbraw/zinc/11/33/34/1025113334.db2.gz ORYPZVJDUSEWSB-YDXUJSMASA-N 2 1 336.545 3.662 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000443977575 1025116499 /nfs/dbraw/zinc/11/64/99/1025116499.db2.gz DWSIYGLOYOTUAH-LPHOPBHVSA-N 2 1 338.923 3.875 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cscc3Br)C2)CC1 ZINC000349151969 1025205839 /nfs/dbraw/zinc/20/58/39/1025205839.db2.gz PFSIASVJRZLZFC-ZDUSSCGKSA-N 2 1 343.334 3.674 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCCC[C@@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039303 1025224467 /nfs/dbraw/zinc/22/44/67/1025224467.db2.gz CVWIZAHJLPJVER-DBXWQHBBSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1CC([N@H+]2CCCC[C@@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039303 1025224472 /nfs/dbraw/zinc/22/44/72/1025224472.db2.gz CVWIZAHJLPJVER-DBXWQHBBSA-N 2 1 330.516 3.665 20 0 EHADMP CC[NH+](CC)CCN(C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039350 1025237234 /nfs/dbraw/zinc/23/72/34/1025237234.db2.gz DNQDPTBFGSWOLV-CEQLMSFQSA-N 2 1 331.548 3.702 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)CCCO2 ZINC000346877720 1025273116 /nfs/dbraw/zinc/27/31/16/1025273116.db2.gz KTJPSUVWWHSVKY-APWZRJJASA-N 2 1 332.488 3.763 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434825 1025389265 /nfs/dbraw/zinc/38/92/65/1025389265.db2.gz AVUQNAGXAZIPAO-WOJBJXKFSA-N 2 1 342.527 3.978 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434825 1025389279 /nfs/dbraw/zinc/38/92/79/1025389279.db2.gz AVUQNAGXAZIPAO-WOJBJXKFSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000474799451 1025480204 /nfs/dbraw/zinc/48/02/04/1025480204.db2.gz CUMHYCMWTKPVQS-AVRDEDQJSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000474799451 1025480217 /nfs/dbraw/zinc/48/02/17/1025480217.db2.gz CUMHYCMWTKPVQS-AVRDEDQJSA-N 2 1 337.511 3.823 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1(C)C ZINC000442871699 1025545107 /nfs/dbraw/zinc/54/51/07/1025545107.db2.gz IMEATPHASSINHT-LJQANCHMSA-N 2 1 349.950 3.797 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](O)(CF)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042278 1025545680 /nfs/dbraw/zinc/54/56/80/1025545680.db2.gz YQKASXAPDCDAJB-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(CF)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042278 1025545697 /nfs/dbraw/zinc/54/56/97/1025545697.db2.gz YQKASXAPDCDAJB-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(CF)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042278 1025545716 /nfs/dbraw/zinc/54/57/16/1025545716.db2.gz YQKASXAPDCDAJB-KOUHRCEDSA-N 2 1 348.506 3.615 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1(C)C ZINC000442881615 1025562988 /nfs/dbraw/zinc/56/29/88/1025562988.db2.gz ZZMNDBIAZTWCKH-LJQANCHMSA-N 2 1 349.950 3.723 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1OC ZINC000286116761 1025575773 /nfs/dbraw/zinc/57/57/73/1025575773.db2.gz NWFIZUXKFUWAIA-ZFWWWQNUSA-N 2 1 331.460 3.504 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000442918114 1025584374 /nfs/dbraw/zinc/58/43/74/1025584374.db2.gz CBGWKIRLTPWYLI-KBPBESRZSA-N 2 1 325.294 3.613 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000521817129 1025702051 /nfs/dbraw/zinc/70/20/51/1025702051.db2.gz WHSQLMKMLZGJDP-QZTJIDSGSA-N 2 1 340.515 3.843 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000474870972 1025727094 /nfs/dbraw/zinc/72/70/94/1025727094.db2.gz VZGNCMBAUKBALV-QPIRBTGLSA-N 2 1 338.536 3.599 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000474870972 1025727110 /nfs/dbraw/zinc/72/71/10/1025727110.db2.gz VZGNCMBAUKBALV-QPIRBTGLSA-N 2 1 338.536 3.599 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000347252240 1025730918 /nfs/dbraw/zinc/73/09/18/1025730918.db2.gz BKWRREQCNRQHOE-HNNXBMFYSA-N 2 1 338.377 3.739 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CCO[C@H](C)C3)C[C@@H]21 ZINC001168128907 1025768297 /nfs/dbraw/zinc/76/82/97/1025768297.db2.gz UVFQIOYLZWPTET-QANQIFJLSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CCO[C@H](C)C3)C[C@@H]21 ZINC001168128907 1025768310 /nfs/dbraw/zinc/76/83/10/1025768310.db2.gz UVFQIOYLZWPTET-QANQIFJLSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CCO[C@H](C)C3)C[C@@H]21 ZINC001168128907 1025768322 /nfs/dbraw/zinc/76/83/22/1025768322.db2.gz UVFQIOYLZWPTET-QANQIFJLSA-N 2 1 328.500 3.664 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc2)c1 ZINC000530407465 1025783021 /nfs/dbraw/zinc/78/30/21/1025783021.db2.gz KDOVBAWHBYBJPI-OAQYLSRUSA-N 2 1 335.451 3.545 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053552 1026065541 /nfs/dbraw/zinc/06/55/41/1026065541.db2.gz OZKJUMDOIYPPMP-NPDDRXJXSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)c1cccc(CO)c1)[N@@H+](C)Cc1ccccc1 ZINC000122069059 1026173392 /nfs/dbraw/zinc/17/33/92/1026173392.db2.gz MRFSYUUPNBIFFK-MSOLQXFVSA-N 2 1 326.484 3.740 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000563364676 1026347828 /nfs/dbraw/zinc/34/78/28/1026347828.db2.gz IUNZWNMWSHTMBD-UHFFFAOYSA-N 2 1 333.426 3.586 20 0 EHADMP CCC1(O)CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168061316 1026421521 /nfs/dbraw/zinc/42/15/21/1026421521.db2.gz HOGUTJULTIQPNX-OPVJXMOQSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC(c3cccnc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062329 1026526567 /nfs/dbraw/zinc/52/65/67/1026526567.db2.gz KBFXAJJRORTENT-OPMZPASUSA-N 2 1 335.495 3.922 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC(c3cccnc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062329 1026526572 /nfs/dbraw/zinc/52/65/72/1026526572.db2.gz KBFXAJJRORTENT-OPMZPASUSA-N 2 1 335.495 3.922 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000277694304 1026584575 /nfs/dbraw/zinc/58/45/75/1026584575.db2.gz VVBSIGZJECLHMU-UHFFFAOYSA-N 2 1 348.288 3.880 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)cc1 ZINC000152781373 1026713969 /nfs/dbraw/zinc/71/39/69/1026713969.db2.gz CYRKNOIBCROFIL-INIZCTEOSA-N 2 1 349.482 3.607 20 0 EHADMP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122765163 1026722537 /nfs/dbraw/zinc/72/25/37/1026722537.db2.gz LWGWIRNEDSUEML-HNNXBMFYSA-N 2 1 346.906 3.514 20 0 EHADMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122765163 1026722547 /nfs/dbraw/zinc/72/25/47/1026722547.db2.gz LWGWIRNEDSUEML-HNNXBMFYSA-N 2 1 346.906 3.514 20 0 EHADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122765163 1026722555 /nfs/dbraw/zinc/72/25/55/1026722555.db2.gz LWGWIRNEDSUEML-HNNXBMFYSA-N 2 1 346.906 3.514 20 0 EHADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122765163 1026722563 /nfs/dbraw/zinc/72/25/63/1026722563.db2.gz LWGWIRNEDSUEML-HNNXBMFYSA-N 2 1 346.906 3.514 20 0 EHADMP CO[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC001168066486 1026899826 /nfs/dbraw/zinc/89/98/26/1026899826.db2.gz OXKDGWNFPALLLB-RYLXDESZSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC001168066486 1026899838 /nfs/dbraw/zinc/89/98/38/1026899838.db2.gz OXKDGWNFPALLLB-RYLXDESZSA-N 2 1 330.516 3.927 20 0 EHADMP CCCc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2ccccc2[nH+]1 ZINC000301792271 1026940305 /nfs/dbraw/zinc/94/03/05/1026940305.db2.gz NZIOSCHOOGZMQO-UHFFFAOYSA-N 2 1 346.478 3.905 20 0 EHADMP CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000252424967 1124984875 /nfs/dbraw/zinc/98/48/75/1124984875.db2.gz KMVVLKCBZQTBOT-YPMHNXCESA-N 2 1 329.257 3.723 20 0 EHADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000252424967 1124984878 /nfs/dbraw/zinc/98/48/78/1124984878.db2.gz KMVVLKCBZQTBOT-YPMHNXCESA-N 2 1 329.257 3.723 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000531735187 1027260175 /nfs/dbraw/zinc/26/01/75/1027260175.db2.gz FQLUMZFEIMVZNE-LLGFUMIMSA-N 2 1 326.484 3.927 20 0 EHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000453069353 1027282207 /nfs/dbraw/zinc/28/22/07/1027282207.db2.gz MJFJRDFEAKIWFU-UTKZUKDTSA-N 2 1 339.483 3.543 20 0 EHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000453069353 1027282217 /nfs/dbraw/zinc/28/22/17/1027282217.db2.gz MJFJRDFEAKIWFU-UTKZUKDTSA-N 2 1 339.483 3.543 20 0 EHADMP c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453091154 1027350952 /nfs/dbraw/zinc/35/09/52/1027350952.db2.gz QQZNTJDHNBLPFP-FHWLQOOXSA-N 2 1 341.524 3.718 20 0 EHADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453096560 1027360147 /nfs/dbraw/zinc/36/01/47/1027360147.db2.gz UBDXIZZGGXZVQT-VSKRKVRLSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000897473427 1027418304 /nfs/dbraw/zinc/41/83/04/1027418304.db2.gz YUKQUPLQBHXVLI-KBRIMQKVSA-N 2 1 337.305 3.769 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453131185 1027432692 /nfs/dbraw/zinc/43/26/92/1027432692.db2.gz ZHQCKLXOFQLEDG-ZHHKINOHSA-N 2 1 344.543 3.818 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453133497 1027435771 /nfs/dbraw/zinc/43/57/71/1027435771.db2.gz WUCWBGCLLILKFW-FDFHNCONSA-N 2 1 342.527 3.836 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1 ZINC000420298487 1027448377 /nfs/dbraw/zinc/44/83/77/1027448377.db2.gz HFMZZKKDLSWMOD-ZFWWWQNUSA-N 2 1 346.421 3.635 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)cc1 ZINC000420298487 1027448393 /nfs/dbraw/zinc/44/83/93/1027448393.db2.gz HFMZZKKDLSWMOD-ZFWWWQNUSA-N 2 1 346.421 3.635 20 0 EHADMP Fc1ccc(Br)cc1C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420298701 1027449558 /nfs/dbraw/zinc/44/95/58/1027449558.db2.gz FUYCHORXJWQCCF-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303847 1027453220 /nfs/dbraw/zinc/45/32/20/1027453220.db2.gz NQYPUNXCZHWGJA-YLJYHZDGSA-N 2 1 340.467 3.583 20 0 EHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420318399 1027465986 /nfs/dbraw/zinc/46/59/86/1027465986.db2.gz NZTXRLNHJJRVAJ-IRFCIJBXSA-N 2 1 329.532 3.534 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273512121 1027467836 /nfs/dbraw/zinc/46/78/36/1027467836.db2.gz OQIZAYUVCJNEDN-RBUKOAKNSA-N 2 1 331.435 3.573 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273512121 1027467846 /nfs/dbraw/zinc/46/78/46/1027467846.db2.gz OQIZAYUVCJNEDN-RBUKOAKNSA-N 2 1 331.435 3.573 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319912 1027470580 /nfs/dbraw/zinc/47/05/80/1027470580.db2.gz AYNNGDJNAMJVQE-ILXRZTDVSA-N 2 1 337.305 3.832 20 0 EHADMP Clc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325139 1027479394 /nfs/dbraw/zinc/47/93/94/1027479394.db2.gz IGMPXLSFCHUUAS-JKSUJKDBSA-N 2 1 345.874 3.817 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453165099 1027480619 /nfs/dbraw/zinc/48/06/19/1027480619.db2.gz AWQAQYUJYJVOFB-YTFSRNRJSA-N 2 1 349.522 3.965 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000420363906 1027490246 /nfs/dbraw/zinc/49/02/46/1027490246.db2.gz OJWXOJRFHSXOQQ-QGZVFWFLSA-N 2 1 344.890 3.583 20 0 EHADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420368077 1027494000 /nfs/dbraw/zinc/49/40/00/1027494000.db2.gz KIQURFHNJWENBM-QFIPXVFZSA-N 2 1 346.478 3.577 20 0 EHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420368077 1027494025 /nfs/dbraw/zinc/49/40/25/1027494025.db2.gz KIQURFHNJWENBM-QFIPXVFZSA-N 2 1 346.478 3.577 20 0 EHADMP C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCC[NH2+]C1 ZINC000420368192 1027495448 /nfs/dbraw/zinc/49/54/48/1027495448.db2.gz HODUVWNUNBOCRV-HOTGVXAUSA-N 2 1 333.545 3.591 20 0 EHADMP Nc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000420382876 1027505111 /nfs/dbraw/zinc/50/51/11/1027505111.db2.gz YWMWUZMHRIONBB-RBBKRZOGSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000420382876 1027505119 /nfs/dbraw/zinc/50/51/19/1027505119.db2.gz YWMWUZMHRIONBB-RBBKRZOGSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000420382876 1027505124 /nfs/dbraw/zinc/50/51/24/1027505124.db2.gz YWMWUZMHRIONBB-RBBKRZOGSA-N 2 1 335.495 3.755 20 0 EHADMP Clc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420403420 1027523873 /nfs/dbraw/zinc/52/38/73/1027523873.db2.gz RJPMZOJKVQWMIO-HNAYVOBHSA-N 2 1 345.874 3.959 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420403420 1027523877 /nfs/dbraw/zinc/52/38/77/1027523877.db2.gz RJPMZOJKVQWMIO-HNAYVOBHSA-N 2 1 345.874 3.959 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420409973 1027527639 /nfs/dbraw/zinc/52/76/39/1027527639.db2.gz XUAQHXFHCYARRX-PXNSSMCTSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420409973 1027527653 /nfs/dbraw/zinc/52/76/53/1027527653.db2.gz XUAQHXFHCYARRX-PXNSSMCTSA-N 2 1 325.456 3.614 20 0 EHADMP [NH3+]CC1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000261795536 1027712250 /nfs/dbraw/zinc/71/22/50/1027712250.db2.gz UFXHUHCYQXWNLS-UHFFFAOYSA-N 2 1 340.311 3.895 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414654316 1027716597 /nfs/dbraw/zinc/71/65/97/1027716597.db2.gz BWRBXGAXZWVFMG-WIYYLYMNSA-N 2 1 338.495 3.867 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cc2)cc1 ZINC000414659450 1027733559 /nfs/dbraw/zinc/73/35/59/1027733559.db2.gz NAHBMTVPTIMAHN-FOIQADDNSA-N 2 1 326.440 3.657 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669243 1027785760 /nfs/dbraw/zinc/78/57/60/1027785760.db2.gz JUCQOIJHGUTVNI-HUCIYCNJSA-N 2 1 336.479 3.820 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669243 1027785777 /nfs/dbraw/zinc/78/57/77/1027785777.db2.gz JUCQOIJHGUTVNI-HUCIYCNJSA-N 2 1 336.479 3.820 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000414676007 1027822861 /nfs/dbraw/zinc/82/28/61/1027822861.db2.gz MRRRFIUEAYVIJL-DZGCQCFKSA-N 2 1 342.430 3.507 20 0 EHADMP CC(C)OCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342877085 1027835708 /nfs/dbraw/zinc/83/57/08/1027835708.db2.gz VOYQKELTGFAKFJ-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359900261 1027869680 /nfs/dbraw/zinc/86/96/80/1027869680.db2.gz PXYUGVQYYCMJQY-BVYCBKJFSA-N 2 1 338.495 3.610 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422736492 1027903400 /nfs/dbraw/zinc/90/34/00/1027903400.db2.gz GGLNKLPBYCYUED-PWRODBHTSA-N 3 1 329.532 3.539 20 0 EHADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422736492 1027903414 /nfs/dbraw/zinc/90/34/14/1027903414.db2.gz GGLNKLPBYCYUED-PWRODBHTSA-N 2 1 329.532 3.539 20 0 EHADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422736492 1027903428 /nfs/dbraw/zinc/90/34/28/1027903428.db2.gz GGLNKLPBYCYUED-PWRODBHTSA-N 2 1 329.532 3.539 20 0 EHADMP C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000422826641 1027970879 /nfs/dbraw/zinc/97/08/79/1027970879.db2.gz RELVGDNDRHESPT-PWRODBHTSA-N 3 1 333.564 3.684 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862107 1027998521 /nfs/dbraw/zinc/99/85/21/1027998521.db2.gz NKPFFMXJQFONGA-DBXWQHBBSA-N 3 1 329.532 3.539 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1)CC1CC1 ZINC000459368505 1028018777 /nfs/dbraw/zinc/01/87/77/1028018777.db2.gz YGXHCQCTYISBJX-UHFFFAOYSA-N 2 1 342.531 3.688 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422886802 1028023157 /nfs/dbraw/zinc/02/31/57/1028023157.db2.gz XSUZQPYHXGGSEH-SJORKVTESA-N 2 1 336.357 3.862 20 0 EHADMP COCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422891994 1028026171 /nfs/dbraw/zinc/02/61/71/1028026171.db2.gz XFTGWNBKBRTIGK-WOJBJXKFSA-N 2 1 346.515 3.675 20 0 EHADMP C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422970222 1028103213 /nfs/dbraw/zinc/10/32/13/1028103213.db2.gz VWJIANNARRELOS-VGSWGCGISA-N 3 1 337.511 3.503 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000422997171 1028113697 /nfs/dbraw/zinc/11/36/97/1028113697.db2.gz ASOIVCLNNLJJFR-WOJBJXKFSA-N 2 1 337.467 3.689 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423030109 1028139432 /nfs/dbraw/zinc/13/94/32/1028139432.db2.gz JAZQVTFXGCBQKW-VQIMIIECSA-N 2 1 326.488 3.581 20 0 EHADMP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])on1 ZINC000423040613 1028146671 /nfs/dbraw/zinc/14/66/71/1028146671.db2.gz HQPVLYSHIFTCDL-KGLIPLIRSA-N 2 1 339.439 3.719 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])CC3 ZINC000423040130 1028146732 /nfs/dbraw/zinc/14/67/32/1028146732.db2.gz GOVXOMAWQPQGMA-JTUHZDRVSA-N 2 1 347.506 3.882 20 0 EHADMP COc1ccc([C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423084949 1028172482 /nfs/dbraw/zinc/17/24/82/1028172482.db2.gz JEGDQCWWRHYWQK-OMYXNUHHSA-N 2 1 346.515 3.673 20 0 EHADMP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098211 1028179363 /nfs/dbraw/zinc/17/93/63/1028179363.db2.gz COSSIZFZFIANKW-SIOWJKJVSA-N 3 1 349.950 3.971 20 0 EHADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423119809 1028189958 /nfs/dbraw/zinc/18/99/58/1028189958.db2.gz FLBVDRKXDBQAHK-GUDVDZBRSA-N 2 1 345.531 3.907 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCCC[C@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000414720729 1028244613 /nfs/dbraw/zinc/24/46/13/1028244613.db2.gz CXVADPWIACQMKT-QYZOEREBSA-N 2 1 344.547 3.673 20 0 EHADMP CC1CC[NH+](CCC[C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(F)cc2)CC1 ZINC000423178695 1028248559 /nfs/dbraw/zinc/24/85/59/1028248559.db2.gz GHRNCAIOPMVGOA-OAQYLSRUSA-N 3 1 347.522 3.721 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000423208147 1028252260 /nfs/dbraw/zinc/25/22/60/1028252260.db2.gz DDNOFTLKKJCXQB-SDDRHHMPSA-N 2 1 329.257 3.627 20 0 EHADMP C[NH2+]CCC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423200731 1028269297 /nfs/dbraw/zinc/26/92/97/1028269297.db2.gz MZARXFUSELKXGD-CQSZACIVSA-N 2 1 331.685 3.753 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423200066 1028269996 /nfs/dbraw/zinc/26/99/96/1028269996.db2.gz LPBKFGROMYQGHR-QUCCMNQESA-N 2 1 329.532 3.538 20 0 EHADMP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522811 1028329216 /nfs/dbraw/zinc/32/92/16/1028329216.db2.gz BOEAUXWLHPGEEI-ZDUSSCGKSA-N 2 1 334.489 3.523 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC(F)F ZINC000423267946 1028333284 /nfs/dbraw/zinc/33/32/84/1028333284.db2.gz UFWTUMFCPNCLMM-SWLSCSKDSA-N 2 1 342.430 3.855 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCc2ccsc2)cc1 ZINC000423346903 1028362731 /nfs/dbraw/zinc/36/27/31/1028362731.db2.gz ZILUZIPYLOWCOB-YSSFQJQWSA-N 2 1 344.524 3.813 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC1 ZINC000423328012 1028365804 /nfs/dbraw/zinc/36/58/04/1028365804.db2.gz NPOOABUVBMWFQP-CQSZACIVSA-N 2 1 331.460 3.798 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCSCC1 ZINC000423368477 1028395481 /nfs/dbraw/zinc/39/54/81/1028395481.db2.gz NGCKQVWJYWUDSZ-WBHUJUFNSA-N 2 1 340.483 3.532 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC[NH2+]1 ZINC000423388074 1028403956 /nfs/dbraw/zinc/40/39/56/1028403956.db2.gz SXQKCKXWDVLVRY-ZXIHIIQKSA-N 2 1 341.268 3.769 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)cs2)cc1 ZINC000154741242 1028408118 /nfs/dbraw/zinc/40/81/18/1028408118.db2.gz ZKRGLKZKDYFFKX-UHFFFAOYSA-N 2 1 345.512 3.592 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423405845 1028422072 /nfs/dbraw/zinc/42/20/72/1028422072.db2.gz UBTBOEZKALRMGA-HPEXNQPKSA-N 2 1 341.268 3.627 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414742808 1028424731 /nfs/dbraw/zinc/42/47/31/1028424731.db2.gz UHMGNMMTPGXFNG-ZQAYIGKJSA-N 2 1 336.479 3.950 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414742805 1028424924 /nfs/dbraw/zinc/42/49/24/1028424924.db2.gz UHMGNMMTPGXFNG-HUPBUCHYSA-N 2 1 336.479 3.950 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cc1 ZINC000423444929 1028432614 /nfs/dbraw/zinc/43/26/14/1028432614.db2.gz XZDFQPIFBBSECB-KSFYIVLOSA-N 2 1 346.478 3.718 20 0 EHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423503563 1028470300 /nfs/dbraw/zinc/47/03/00/1028470300.db2.gz FAMUAMZPAVTMMV-ZNVHBHFFSA-N 2 1 349.950 3.638 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423509622 1028473086 /nfs/dbraw/zinc/47/30/86/1028473086.db2.gz LOZZVISTZVBQAO-UJKMTWAASA-N 2 1 341.543 3.519 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194044430 1028484025 /nfs/dbraw/zinc/48/40/25/1028484025.db2.gz KIMRBLFHPKFDMV-LLUDDFSJSA-N 2 1 340.511 3.759 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423528763 1028484596 /nfs/dbraw/zinc/48/45/96/1028484596.db2.gz WTTOQXIILFUAIR-XJKSGUPXSA-N 2 1 331.287 3.803 20 0 EHADMP CC(C)C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccs1 ZINC000423519737 1028495568 /nfs/dbraw/zinc/49/55/68/1028495568.db2.gz QIXFAPYWVSJWJE-DAWZGUTISA-N 2 1 335.561 3.641 20 0 EHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1C(C)(C)C ZINC000423525097 1028497945 /nfs/dbraw/zinc/49/79/45/1028497945.db2.gz XWEMTOFKDIJXBU-LMDPOFIKSA-N 2 1 343.559 3.851 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423525605 1028498393 /nfs/dbraw/zinc/49/83/93/1028498393.db2.gz KOLUTVRICRWIFC-URZJWIJPSA-N 2 1 346.478 3.587 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720141 1028514085 /nfs/dbraw/zinc/51/40/85/1028514085.db2.gz SLVXRKSINAYPLF-INIZCTEOSA-N 2 1 327.447 3.682 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720141 1028514099 /nfs/dbraw/zinc/51/40/99/1028514099.db2.gz SLVXRKSINAYPLF-INIZCTEOSA-N 2 1 327.447 3.682 20 0 EHADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139529 1028585131 /nfs/dbraw/zinc/58/51/31/1028585131.db2.gz ZLRFXZZTUYXIRD-ROUUACIJSA-N 2 1 341.524 3.941 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135660 1028585600 /nfs/dbraw/zinc/58/56/00/1028585600.db2.gz PPXOYGNRAPVVOA-NVXWUHKLSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000414770837 1028742362 /nfs/dbraw/zinc/74/23/62/1028742362.db2.gz YPNVXAGMDKZQDF-AWEZNQCLSA-N 2 1 326.406 3.884 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000247234672 1028763834 /nfs/dbraw/zinc/76/38/34/1028763834.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000247234672 1028763846 /nfs/dbraw/zinc/76/38/46/1028763846.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000247234672 1028763862 /nfs/dbraw/zinc/76/38/62/1028763862.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000247234672 1028763872 /nfs/dbraw/zinc/76/38/72/1028763872.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000247234672 1028763888 /nfs/dbraw/zinc/76/38/88/1028763888.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000247234672 1028763906 /nfs/dbraw/zinc/76/39/06/1028763906.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000247234672 1028763923 /nfs/dbraw/zinc/76/39/23/1028763923.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000247234672 1028763938 /nfs/dbraw/zinc/76/39/38/1028763938.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000247234672 1028763955 /nfs/dbraw/zinc/76/39/55/1028763955.db2.gz YNYHUOOONMCMCH-OPYAIIAOSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000247342274 1028779360 /nfs/dbraw/zinc/77/93/60/1028779360.db2.gz ADLATABCOXIXCX-FGTMMUONSA-N 2 1 339.483 3.542 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421826353 1028816216 /nfs/dbraw/zinc/81/62/16/1028816216.db2.gz RYQVSYGFDBJRNW-DJJJIMSYSA-N 2 1 331.435 3.716 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000248202106 1028858341 /nfs/dbraw/zinc/85/83/41/1028858341.db2.gz YZXLAHGAATUTDN-PBHICJAKSA-N 2 1 344.421 3.593 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424268119 1028923805 /nfs/dbraw/zinc/92/38/05/1028923805.db2.gz NGXLGJAWCBSRHC-OAQYLSRUSA-N 2 1 335.580 3.743 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424285959 1028929555 /nfs/dbraw/zinc/92/95/55/1028929555.db2.gz GLYPHIQLZAORQY-CQSZACIVSA-N 2 1 342.405 3.548 20 0 EHADMP Cc1csc([C@@H]2CCCC[N@@H+]2C[C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302266 1028939410 /nfs/dbraw/zinc/93/94/10/1028939410.db2.gz LXOIOACPZNYMAY-RDJZCZTQSA-N 2 1 333.476 3.860 20 0 EHADMP Cc1csc([C@@H]2CCCC[N@H+]2C[C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302266 1028939423 /nfs/dbraw/zinc/93/94/23/1028939423.db2.gz LXOIOACPZNYMAY-RDJZCZTQSA-N 2 1 333.476 3.860 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268813 1028943009 /nfs/dbraw/zinc/94/30/09/1028943009.db2.gz LRKGMJOUXRTIOJ-NTZUZEMLSA-N 2 1 348.556 3.753 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268813 1028943028 /nfs/dbraw/zinc/94/30/28/1028943028.db2.gz LRKGMJOUXRTIOJ-NTZUZEMLSA-N 2 1 348.556 3.753 20 0 EHADMP Cc1csc([C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277312 1028951135 /nfs/dbraw/zinc/95/11/35/1028951135.db2.gz BYNPEIAFUIXEQW-HZPDHXFCSA-N 2 1 333.476 3.513 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424281360 1028953727 /nfs/dbraw/zinc/95/37/27/1028953727.db2.gz NFBSLTLDPIEIEF-MRARYGSRSA-N 2 1 342.527 3.690 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000513762650 1028961660 /nfs/dbraw/zinc/96/16/60/1028961660.db2.gz RUHHKOQSXYNVKG-FSSWDIPSSA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000513762650 1028961675 /nfs/dbraw/zinc/96/16/75/1028961675.db2.gz RUHHKOQSXYNVKG-FSSWDIPSSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000513762650 1028961688 /nfs/dbraw/zinc/96/16/88/1028961688.db2.gz RUHHKOQSXYNVKG-FSSWDIPSSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000513762650 1028961704 /nfs/dbraw/zinc/96/17/04/1028961704.db2.gz RUHHKOQSXYNVKG-FSSWDIPSSA-N 2 1 341.543 3.635 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CCCCO2)C3)cc1 ZINC000248874541 1028961883 /nfs/dbraw/zinc/96/18/83/1028961883.db2.gz IXPMLTWLOLHOMV-BURNTYAHSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)CC[NH2+]1 ZINC000841008706 1028999589 /nfs/dbraw/zinc/99/95/89/1028999589.db2.gz AIOKAWVCKXSYTQ-NZSAHSFTSA-N 2 1 344.524 3.672 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)s2)cs1 ZINC000414785716 1029032700 /nfs/dbraw/zinc/03/27/00/1029032700.db2.gz TUTGPSWWYQQKBO-KGLIPLIRSA-N 2 1 333.526 3.693 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000414791419 1029087221 /nfs/dbraw/zinc/08/72/21/1029087221.db2.gz QWFSFMJNMMWQIY-UHFFFAOYSA-N 2 1 326.284 3.566 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000271728131 1029140451 /nfs/dbraw/zinc/14/04/51/1029140451.db2.gz ORMQJQPMEFICMK-BEFAXECRSA-N 2 1 341.455 3.517 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271801754 1029177136 /nfs/dbraw/zinc/17/71/36/1029177136.db2.gz SHARGJPGSJOTHE-HNAYVOBHSA-N 2 1 329.488 3.560 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271801752 1029177280 /nfs/dbraw/zinc/17/72/80/1029177280.db2.gz SHARGJPGSJOTHE-BEFAXECRSA-N 2 1 329.488 3.560 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1SC(F)F ZINC000271817215 1029187348 /nfs/dbraw/zinc/18/73/48/1029187348.db2.gz BUSJZPQNVYWTNV-LBPRGKRZSA-N 2 1 342.455 3.922 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1 ZINC000271865799 1029208312 /nfs/dbraw/zinc/20/83/12/1029208312.db2.gz LHNRVFKICQYPMV-KXBFYZLASA-N 2 1 327.472 3.628 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271873147 1029210059 /nfs/dbraw/zinc/21/00/59/1029210059.db2.gz NFAOKGVROQPNPN-OAHLLOKOSA-N 2 1 341.524 3.955 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000271876825 1029212992 /nfs/dbraw/zinc/21/29/92/1029212992.db2.gz OGTUMRDFGFBETM-SVFBPWRDSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000414804941 1029223664 /nfs/dbraw/zinc/22/36/64/1029223664.db2.gz FPVZOJOQGITBAM-LLVKDONJSA-N 2 1 337.236 3.898 20 0 EHADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245761772 1029257146 /nfs/dbraw/zinc/25/71/46/1029257146.db2.gz VRCKFEGOJYHQFV-YUMYIRISSA-N 2 1 336.479 3.505 20 0 EHADMP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cncs1 ZINC000124699749 1029307115 /nfs/dbraw/zinc/30/71/15/1029307115.db2.gz YCHVUOIEJWDVBL-OAGGEKHMSA-N 2 1 329.513 3.950 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000253351391 1029325686 /nfs/dbraw/zinc/32/56/86/1029325686.db2.gz JRPWFYXWZZVMJK-HKUYNNGSSA-N 2 1 344.547 3.669 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279716 1029396132 /nfs/dbraw/zinc/39/61/32/1029396132.db2.gz CRLTZWQWIKAZMT-NJNPRVFISA-N 2 1 338.495 3.740 20 0 EHADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272446037 1029461793 /nfs/dbraw/zinc/46/17/93/1029461793.db2.gz UXORSNKOQBXTBN-FDKIHUSFSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000272683330 1029566235 /nfs/dbraw/zinc/56/62/35/1029566235.db2.gz SXESSCWFISDCQW-VQIMIIECSA-N 2 1 343.540 3.803 20 0 EHADMP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272704966 1029572921 /nfs/dbraw/zinc/57/29/21/1029572921.db2.gz TWJAXPNLCQYSBB-MOPGFXCFSA-N 2 1 341.543 3.898 20 0 EHADMP NCc1nc(C[N@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)no1 ZINC000262201881 1029579645 /nfs/dbraw/zinc/57/96/45/1029579645.db2.gz KOZRYKWYZMSDKU-IRXDYDNUSA-N 2 1 332.492 3.632 20 0 EHADMP NCc1nc(C[N@@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)no1 ZINC000262201881 1029579653 /nfs/dbraw/zinc/57/96/53/1029579653.db2.gz KOZRYKWYZMSDKU-IRXDYDNUSA-N 2 1 332.492 3.632 20 0 EHADMP CC(C)Cn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272731873 1029584796 /nfs/dbraw/zinc/58/47/96/1029584796.db2.gz AMVBXCFBSXLYTN-WIYYLYMNSA-N 2 1 340.515 3.539 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000343193985 1029695029 /nfs/dbraw/zinc/69/50/29/1029695029.db2.gz VWXNAZYASLKWKR-ZDUSSCGKSA-N 2 1 341.377 3.559 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699802 1029745645 /nfs/dbraw/zinc/74/56/45/1029745645.db2.gz RNFWRBLUWMRHQX-SBHAEUEKSA-N 2 1 339.527 3.846 20 0 EHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000446839051 1029806916 /nfs/dbraw/zinc/80/69/16/1029806916.db2.gz OSLLFDSEJIJHGF-NHCUHLMSSA-N 2 1 332.532 3.938 20 0 EHADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000428662503 1029868708 /nfs/dbraw/zinc/86/87/08/1029868708.db2.gz DXZSWOGQZOBPDC-CQSZACIVSA-N 2 1 348.288 3.918 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581839 1029875172 /nfs/dbraw/zinc/87/51/72/1029875172.db2.gz MHAPPKNREAZMQB-KCXAZCMYSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581839 1029875179 /nfs/dbraw/zinc/87/51/79/1029875179.db2.gz MHAPPKNREAZMQB-KCXAZCMYSA-N 2 1 325.294 3.973 20 0 EHADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453212343 1029917182 /nfs/dbraw/zinc/91/71/82/1029917182.db2.gz OQSXKWCUWJLRGJ-FYKMYLNBSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)o1 ZINC000278281400 1029938490 /nfs/dbraw/zinc/93/84/90/1029938490.db2.gz PYJRAZBXBSJWNB-IRXDYDNUSA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)o1 ZINC000278281400 1029938509 /nfs/dbraw/zinc/93/85/09/1029938509.db2.gz PYJRAZBXBSJWNB-IRXDYDNUSA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)o1 ZINC000278281395 1029940343 /nfs/dbraw/zinc/94/03/43/1029940343.db2.gz PYJRAZBXBSJWNB-IAGOWNOFSA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)o1 ZINC000278281395 1029940357 /nfs/dbraw/zinc/94/03/57/1029940357.db2.gz PYJRAZBXBSJWNB-IAGOWNOFSA-N 2 1 342.483 3.968 20 0 EHADMP C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453240283 1029965707 /nfs/dbraw/zinc/96/57/07/1029965707.db2.gz VQOSKAFMFNNTAW-VXSCBNMQSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453276730 1030012652 /nfs/dbraw/zinc/01/26/52/1030012652.db2.gz MXXLEQLLEQGZGJ-RYFAJOAYSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453297507 1030047201 /nfs/dbraw/zinc/04/72/01/1030047201.db2.gz ZIGNCWNLYFGRCQ-RYFAJOAYSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)[C@@H]1CC[NH3+] ZINC000650711141 1030055597 /nfs/dbraw/zinc/05/55/97/1030055597.db2.gz JSLOTMRYUDOYEF-CXAGYDPISA-N 2 1 333.476 3.899 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)[C@@H]1CC[NH3+] ZINC000650711141 1030055611 /nfs/dbraw/zinc/05/56/11/1030055611.db2.gz JSLOTMRYUDOYEF-CXAGYDPISA-N 2 1 333.476 3.899 20 0 EHADMP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453384381 1030163799 /nfs/dbraw/zinc/16/37/99/1030163799.db2.gz ZSQCBPDAQTUGBY-FXAWDEMLSA-N 2 1 348.556 3.907 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000453372489 1030190123 /nfs/dbraw/zinc/19/01/23/1030190123.db2.gz GKNAVFQEXQBPDM-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC[C@@H]2CCOC2)C3)cc1 ZINC000453389115 1030190958 /nfs/dbraw/zinc/19/09/58/1030190958.db2.gz WTLAFEFOROJXRA-NCYKPQTJSA-N 2 1 328.500 3.588 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000650722401 1030193215 /nfs/dbraw/zinc/19/32/15/1030193215.db2.gz RVNCNZMRKSWXLX-IXDOHACOSA-N 2 1 343.298 3.854 20 0 EHADMP Fc1cccc(F)c1CC1CC[NH+]([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453378120 1030201824 /nfs/dbraw/zinc/20/18/24/1030201824.db2.gz VMLPREFIRFEEDN-DLBZAZTESA-N 2 1 334.454 3.846 20 0 EHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000447529995 1030252378 /nfs/dbraw/zinc/25/23/78/1030252378.db2.gz LLUZWEJRPBEXRB-CIAFKFPVSA-N 2 1 342.527 3.977 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000728570449 1030253541 /nfs/dbraw/zinc/25/35/41/1030253541.db2.gz LFJUTKBLQRAMKB-UHFFFAOYSA-N 2 1 345.531 3.802 20 0 EHADMP C[NH+](C)C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000091670579 1030280604 /nfs/dbraw/zinc/28/06/04/1030280604.db2.gz LFBVKEQYLDETRL-UHFFFAOYSA-N 2 1 334.467 3.552 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453430727 1030285850 /nfs/dbraw/zinc/28/58/50/1030285850.db2.gz RFVQLYNPOMBHFN-SXLOBPIMSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[NH+]1C1CC1 ZINC000447600874 1030354318 /nfs/dbraw/zinc/35/43/18/1030354318.db2.gz NIPIYKUKJKROGL-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447600874 1030354336 /nfs/dbraw/zinc/35/43/36/1030354336.db2.gz NIPIYKUKJKROGL-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000447600874 1030354354 /nfs/dbraw/zinc/35/43/54/1030354354.db2.gz NIPIYKUKJKROGL-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447600874 1030354369 /nfs/dbraw/zinc/35/43/69/1030354369.db2.gz NIPIYKUKJKROGL-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447600874 1030354383 /nfs/dbraw/zinc/35/43/83/1030354383.db2.gz NIPIYKUKJKROGL-STZQEDGTSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cccc(F)c1Br)C1CC1 ZINC000453598567 1030358946 /nfs/dbraw/zinc/35/89/46/1030358946.db2.gz PSJCTDUMJNIOLO-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187669 1030467018 /nfs/dbraw/zinc/46/70/18/1030467018.db2.gz XQCOCKWJGAXSFO-CVEARBPZSA-N 2 1 349.569 3.757 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)C(C)C ZINC000532239877 1030504564 /nfs/dbraw/zinc/50/45/64/1030504564.db2.gz VLPRYCQRZQRAGM-INIZCTEOSA-N 2 1 331.504 3.731 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCCC1 ZINC000643496606 1030516244 /nfs/dbraw/zinc/51/62/44/1030516244.db2.gz FRZCTJJOGONCDM-OAHLLOKOSA-N 2 1 327.394 3.729 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457634 1030644870 /nfs/dbraw/zinc/64/48/70/1030644870.db2.gz RNHBTBSJCVIAFM-IFXJQAMLSA-N 2 1 341.886 3.912 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000157593395 1030653332 /nfs/dbraw/zinc/65/33/32/1030653332.db2.gz XBFCSKMLZRUGEA-OALUTQOASA-N 2 1 340.515 3.683 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157586978 1030666320 /nfs/dbraw/zinc/66/63/20/1030666320.db2.gz FRDXYWLEKRHORI-OALUTQOASA-N 2 1 340.515 3.683 20 0 EHADMP CC[C@]1(C)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000537647258 1030755091 /nfs/dbraw/zinc/75/50/91/1030755091.db2.gz KGPIVIUGWWERPV-OAQYLSRUSA-N 2 1 329.532 3.839 20 0 EHADMP CCC(O)(CC)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550898233 1030781778 /nfs/dbraw/zinc/78/17/78/1030781778.db2.gz AXVQEWPVZCIRET-UHFFFAOYSA-N 2 1 332.532 3.960 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000157935161 1030959444 /nfs/dbraw/zinc/95/94/44/1030959444.db2.gz ZVIOQHIDXAIPCR-HKARXFIJSA-N 2 1 336.545 3.587 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000537692860 1030992149 /nfs/dbraw/zinc/99/21/49/1030992149.db2.gz NJDFHXOHXCXETD-CEWLAPEOSA-N 2 1 346.515 3.549 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000537692860 1030992159 /nfs/dbraw/zinc/99/21/59/1030992159.db2.gz NJDFHXOHXCXETD-CEWLAPEOSA-N 2 1 346.515 3.549 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000551050131 1031005502 /nfs/dbraw/zinc/00/55/02/1031005502.db2.gz FLQQLEBDVDLTPA-UWJYYQICSA-N 2 1 336.479 3.805 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)CCS2 ZINC000343470367 1031028214 /nfs/dbraw/zinc/02/82/14/1031028214.db2.gz SAVPNMGKIABMHL-QAPCUYQASA-N 2 1 334.529 3.944 20 0 EHADMP CC[N@H+]1CCC[C@H](CNCc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527648296 1031078246 /nfs/dbraw/zinc/07/82/46/1031078246.db2.gz WEJSZJZRWZIMBL-CYBMUJFWSA-N 2 1 330.394 3.536 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527648296 1031078286 /nfs/dbraw/zinc/07/82/86/1031078286.db2.gz WEJSZJZRWZIMBL-CYBMUJFWSA-N 2 1 330.394 3.536 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186531 1031090806 /nfs/dbraw/zinc/09/08/06/1031090806.db2.gz MHTOAQBPKLGYGV-LRDDRELGSA-N 2 1 335.904 3.893 20 0 EHADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186531 1031090822 /nfs/dbraw/zinc/09/08/22/1031090822.db2.gz MHTOAQBPKLGYGV-LRDDRELGSA-N 2 1 335.904 3.893 20 0 EHADMP COc1cncc(/C=C\CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000583931814 1031157941 /nfs/dbraw/zinc/15/79/41/1031157941.db2.gz GYKYIHFTIBYDPG-IUIHMJQYSA-N 2 1 343.515 3.736 20 0 EHADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551259736 1031165572 /nfs/dbraw/zinc/16/55/72/1031165572.db2.gz QIFSRACJYAQRQC-GHTZIAJQSA-N 2 1 342.527 3.693 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2cccs2)[C@@H](C)C1 ZINC000483748706 1031317232 /nfs/dbraw/zinc/31/72/32/1031317232.db2.gz WDOMFXIPLPDWSP-LNLFQRSKSA-N 2 1 338.561 3.653 20 0 EHADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251934688 1031340177 /nfs/dbraw/zinc/34/01/77/1031340177.db2.gz ZPSJXBIFCPIVEL-WQVCFCJDSA-N 2 1 325.294 3.959 20 0 EHADMP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251934688 1031340193 /nfs/dbraw/zinc/34/01/93/1031340193.db2.gz ZPSJXBIFCPIVEL-WQVCFCJDSA-N 2 1 325.294 3.959 20 0 EHADMP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000343560106 1031385501 /nfs/dbraw/zinc/38/55/01/1031385501.db2.gz WTZAIXPGDGVXMO-CQSZACIVSA-N 2 1 346.500 3.667 20 0 EHADMP Fc1cc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000483951558 1031407184 /nfs/dbraw/zinc/40/71/84/1031407184.db2.gz GOLLHWDWBVZSEP-OAHLLOKOSA-N 2 1 340.870 3.808 20 0 EHADMP Fc1cc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000483951558 1031407202 /nfs/dbraw/zinc/40/72/02/1031407202.db2.gz GOLLHWDWBVZSEP-OAHLLOKOSA-N 2 1 340.870 3.808 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000760158637 1031449739 /nfs/dbraw/zinc/44/97/39/1031449739.db2.gz VYNGAMZILJBOFP-NWDGAFQWSA-N 2 1 330.303 3.958 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000484095150 1031451728 /nfs/dbraw/zinc/45/17/28/1031451728.db2.gz HNGNGLANLSTMOY-CXAGYDPISA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000484095150 1031451736 /nfs/dbraw/zinc/45/17/36/1031451736.db2.gz HNGNGLANLSTMOY-CXAGYDPISA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000484095150 1031451749 /nfs/dbraw/zinc/45/17/49/1031451749.db2.gz HNGNGLANLSTMOY-CXAGYDPISA-N 2 1 328.859 3.520 20 0 EHADMP COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527949572 1031479022 /nfs/dbraw/zinc/47/90/22/1031479022.db2.gz OFXYOYFBCHSTDU-QAPCUYQASA-N 2 1 332.488 3.761 20 0 EHADMP COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527949572 1031479028 /nfs/dbraw/zinc/47/90/28/1031479028.db2.gz OFXYOYFBCHSTDU-QAPCUYQASA-N 2 1 332.488 3.761 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177295419 1031553069 /nfs/dbraw/zinc/55/30/69/1031553069.db2.gz MJESUCZKTINVEW-STQMWFEESA-N 2 1 336.277 3.941 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073017 1031617761 /nfs/dbraw/zinc/61/77/61/1031617761.db2.gz CHRFQHGVUXLTJD-FXAWDEMLSA-N 2 1 348.494 3.657 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000551977070 1031801931 /nfs/dbraw/zinc/80/19/31/1031801931.db2.gz SVZCUBVRAFTXCM-UHFFFAOYSA-N 2 1 344.528 3.757 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000537953139 1032038303 /nfs/dbraw/zinc/03/83/03/1032038303.db2.gz HPBUSOQWIVEULB-SUMWQHHRSA-N 2 1 349.931 3.936 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000685443819 1033335802 /nfs/dbraw/zinc/33/58/02/1033335802.db2.gz PZEQSEZIQUUYLX-YJJAZYOBSA-N 2 1 346.515 3.930 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000685443819 1033335809 /nfs/dbraw/zinc/33/58/09/1033335809.db2.gz PZEQSEZIQUUYLX-YJJAZYOBSA-N 2 1 346.515 3.930 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000685443819 1033335818 /nfs/dbraw/zinc/33/58/18/1033335818.db2.gz PZEQSEZIQUUYLX-YJJAZYOBSA-N 2 1 346.515 3.930 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000685443819 1033335826 /nfs/dbraw/zinc/33/58/26/1033335826.db2.gz PZEQSEZIQUUYLX-YJJAZYOBSA-N 2 1 346.515 3.930 20 0 EHADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457487 1033348718 /nfs/dbraw/zinc/34/87/18/1033348718.db2.gz ZZLYFRBJENCCIN-RXVVDRJESA-N 2 1 335.580 3.693 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000158047883 1033362538 /nfs/dbraw/zinc/36/25/38/1033362538.db2.gz QSTHKIBLALFRBS-IBGZPJMESA-N 2 1 336.907 3.806 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000657900659 1033440977 /nfs/dbraw/zinc/44/09/77/1033440977.db2.gz JJGHFHRCKZMCRT-MAKTXDPSSA-N 2 1 330.516 3.977 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000657900659 1033440989 /nfs/dbraw/zinc/44/09/89/1033440989.db2.gz JJGHFHRCKZMCRT-MAKTXDPSSA-N 2 1 330.516 3.977 20 0 EHADMP CCn1cc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)c(C)n1 ZINC000892402551 1033520299 /nfs/dbraw/zinc/52/02/99/1033520299.db2.gz CTDOBJOYMXAUCC-UHFFFAOYSA-N 2 1 332.536 3.545 20 0 EHADMP C[C@@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000595017525 1033609596 /nfs/dbraw/zinc/60/95/96/1033609596.db2.gz JBXPURAJPGIRCF-UXDRXVOSSA-N 2 1 336.520 3.863 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000595017885 1033612417 /nfs/dbraw/zinc/61/24/17/1033612417.db2.gz WTPRPWOAKVWMKK-HUUCEWRRSA-N 2 1 330.538 3.641 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000595017885 1033612427 /nfs/dbraw/zinc/61/24/27/1033612427.db2.gz WTPRPWOAKVWMKK-HUUCEWRRSA-N 2 1 330.538 3.641 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598982930 1033629525 /nfs/dbraw/zinc/62/95/25/1033629525.db2.gz SSFWAOYXSOVVQS-HNNXBMFYSA-N 2 1 326.525 3.597 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955030 1033630674 /nfs/dbraw/zinc/63/06/74/1033630674.db2.gz ZZBKMVUQORGNGB-YOEHRIQHSA-N 2 1 344.421 3.545 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955030 1033630683 /nfs/dbraw/zinc/63/06/83/1033630683.db2.gz ZZBKMVUQORGNGB-YOEHRIQHSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955030 1033630696 /nfs/dbraw/zinc/63/06/96/1033630696.db2.gz ZZBKMVUQORGNGB-YOEHRIQHSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955030 1033630706 /nfs/dbraw/zinc/63/07/06/1033630706.db2.gz ZZBKMVUQORGNGB-YOEHRIQHSA-N 2 1 344.421 3.545 20 0 EHADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647347 1033671384 /nfs/dbraw/zinc/67/13/84/1033671384.db2.gz WQOQATLRHNVFSH-SIKLNZKXSA-N 2 1 338.495 3.910 20 0 EHADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647345 1033671491 /nfs/dbraw/zinc/67/14/91/1033671491.db2.gz WQOQATLRHNVFSH-DENIHFKCSA-N 2 1 338.495 3.910 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191694296 1033776993 /nfs/dbraw/zinc/77/69/93/1033776993.db2.gz NALKDKIAAJLRQI-VIFPVBQESA-N 2 1 337.714 3.595 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191694296 1033777006 /nfs/dbraw/zinc/77/70/06/1033777006.db2.gz NALKDKIAAJLRQI-VIFPVBQESA-N 2 1 337.714 3.595 20 0 EHADMP [NH3+]CCC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137203786 1033830753 /nfs/dbraw/zinc/83/07/53/1033830753.db2.gz IXKQGVJHVJBHMJ-UHFFFAOYSA-N 2 1 331.685 3.663 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000550665921 1033835859 /nfs/dbraw/zinc/83/58/59/1033835859.db2.gz RRFFOVDWMYTESR-DYXWJJEUSA-N 2 1 336.479 3.978 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000550665921 1033835870 /nfs/dbraw/zinc/83/58/70/1033835870.db2.gz RRFFOVDWMYTESR-DYXWJJEUSA-N 2 1 336.479 3.978 20 0 EHADMP Cc1cc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc(C)n1 ZINC000358748210 1033995433 /nfs/dbraw/zinc/99/54/33/1033995433.db2.gz BTNPRNBXZXVZEX-INIZCTEOSA-N 2 1 348.853 3.557 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658138216 1034001324 /nfs/dbraw/zinc/00/13/24/1034001324.db2.gz IZVUGFWFPRPQMJ-AVRDEDQJSA-N 2 1 338.495 3.721 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000119162182 1034091344 /nfs/dbraw/zinc/09/13/44/1034091344.db2.gz FPBYFJBVSADGBO-AGWAZZAUSA-N 2 1 336.907 3.570 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614778 1034152788 /nfs/dbraw/zinc/15/27/88/1034152788.db2.gz IMVYAKPIKFQJCQ-GXTWGEPZSA-N 2 1 330.394 3.732 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614778 1034152798 /nfs/dbraw/zinc/15/27/98/1034152798.db2.gz IMVYAKPIKFQJCQ-GXTWGEPZSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614778 1034152802 /nfs/dbraw/zinc/15/28/02/1034152802.db2.gz IMVYAKPIKFQJCQ-GXTWGEPZSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614778 1034152811 /nfs/dbraw/zinc/15/28/11/1034152811.db2.gz IMVYAKPIKFQJCQ-GXTWGEPZSA-N 2 1 330.394 3.732 20 0 EHADMP COCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319951 1034197022 /nfs/dbraw/zinc/19/70/22/1034197022.db2.gz KCLXLRHPZKKHFW-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC1 ZINC001168330363 1034217181 /nfs/dbraw/zinc/21/71/81/1034217181.db2.gz PQSDAXXXDLOVQQ-MYKUNDNFSA-N 2 1 330.491 3.978 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170929 1034365438 /nfs/dbraw/zinc/36/54/38/1034365438.db2.gz ADXULIGGTIGIEU-FGZHOGPDSA-N 3 1 337.511 3.673 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170929 1034365452 /nfs/dbraw/zinc/36/54/52/1034365452.db2.gz ADXULIGGTIGIEU-FGZHOGPDSA-N 3 1 337.511 3.673 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170930 1034366368 /nfs/dbraw/zinc/36/63/68/1034366368.db2.gz ADXULIGGTIGIEU-VXKWHMMOSA-N 3 1 337.511 3.673 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340170930 1034366373 /nfs/dbraw/zinc/36/63/73/1034366373.db2.gz ADXULIGGTIGIEU-VXKWHMMOSA-N 3 1 337.511 3.673 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001168121525 1034375813 /nfs/dbraw/zinc/37/58/13/1034375813.db2.gz LYZKXRYBOYUHKO-FPPGBKCQSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001168121525 1034375825 /nfs/dbraw/zinc/37/58/25/1034375825.db2.gz LYZKXRYBOYUHKO-FPPGBKCQSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001168121525 1034375839 /nfs/dbraw/zinc/37/58/39/1034375839.db2.gz LYZKXRYBOYUHKO-FPPGBKCQSA-N 2 1 348.556 3.848 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179738 1034404673 /nfs/dbraw/zinc/40/46/73/1034404673.db2.gz GGSHJQBREAASCT-SIKLNZKXSA-N 2 1 348.494 3.770 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179738 1034404680 /nfs/dbraw/zinc/40/46/80/1034404680.db2.gz GGSHJQBREAASCT-SIKLNZKXSA-N 2 1 348.494 3.770 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccsc2C(=O)OC)cc1 ZINC000892460803 1034408458 /nfs/dbraw/zinc/40/84/58/1034408458.db2.gz TXCPEAHJTHBDAQ-UHFFFAOYSA-N 2 1 346.496 3.666 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340224498 1034474810 /nfs/dbraw/zinc/47/48/10/1034474810.db2.gz AMQLCWSAMYUHOK-VQTJNVASSA-N 2 1 338.499 3.699 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340224498 1034474824 /nfs/dbraw/zinc/47/48/24/1034474824.db2.gz AMQLCWSAMYUHOK-VQTJNVASSA-N 2 1 338.499 3.699 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340351321 1034487389 /nfs/dbraw/zinc/48/73/89/1034487389.db2.gz AFYFSOWNLNKKKM-JLSDUUJJSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340351321 1034487398 /nfs/dbraw/zinc/48/73/98/1034487398.db2.gz AFYFSOWNLNKKKM-JLSDUUJJSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604773151 1034487872 /nfs/dbraw/zinc/48/78/72/1034487872.db2.gz COWQUPJJPUSAOH-JENIJYKNSA-N 2 1 347.547 3.517 20 0 EHADMP COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000450604839 1034557590 /nfs/dbraw/zinc/55/75/90/1034557590.db2.gz XUSXZJBIFXUIKI-CRAIPNDOSA-N 2 1 334.891 3.797 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000601514663 1034564125 /nfs/dbraw/zinc/56/41/25/1034564125.db2.gz WOZXSJJYPJWXGQ-CYBMUJFWSA-N 2 1 348.288 3.561 20 0 EHADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000601514663 1034564137 /nfs/dbraw/zinc/56/41/37/1034564137.db2.gz WOZXSJJYPJWXGQ-CYBMUJFWSA-N 2 1 348.288 3.561 20 0 EHADMP CCc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000092370191 1034959621 /nfs/dbraw/zinc/95/96/21/1034959621.db2.gz MHERJUUAIVOLGT-QGZVFWFLSA-N 2 1 340.515 3.647 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161586512 1035266052 /nfs/dbraw/zinc/26/60/52/1035266052.db2.gz VPBOFUBUWWYAJG-FQEVSTJZSA-N 3 1 335.580 3.839 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161586512 1035266057 /nfs/dbraw/zinc/26/60/57/1035266057.db2.gz VPBOFUBUWWYAJG-FQEVSTJZSA-N 2 1 335.580 3.839 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161586512 1035266064 /nfs/dbraw/zinc/26/60/64/1035266064.db2.gz VPBOFUBUWWYAJG-FQEVSTJZSA-N 2 1 335.580 3.839 20 0 EHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000685850149 1035417029 /nfs/dbraw/zinc/41/70/29/1035417029.db2.gz AZWFEPBUMGWYQQ-OAQYLSRUSA-N 2 1 340.511 3.926 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCc1cccs1 ZINC000571696571 1035595953 /nfs/dbraw/zinc/59/59/53/1035595953.db2.gz BKXWARFLMWHAKI-GDBMZVCRSA-N 2 1 346.496 3.647 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCc1cccs1 ZINC000571696571 1035595964 /nfs/dbraw/zinc/59/59/64/1035595964.db2.gz BKXWARFLMWHAKI-GDBMZVCRSA-N 2 1 346.496 3.647 20 0 EHADMP Fc1ccc(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168380409 1035612058 /nfs/dbraw/zinc/61/20/58/1035612058.db2.gz SEVIPZJDEGMOIS-UHFFFAOYSA-N 2 1 332.463 3.543 20 0 EHADMP COc1ccc(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000173974858 1035738901 /nfs/dbraw/zinc/73/89/01/1035738901.db2.gz XDKSOQGPHWUVQO-OAQYLSRUSA-N 2 1 338.495 3.692 20 0 EHADMP COc1ccc(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173974858 1035738917 /nfs/dbraw/zinc/73/89/17/1035738917.db2.gz XDKSOQGPHWUVQO-OAQYLSRUSA-N 2 1 338.495 3.692 20 0 EHADMP COc1ccc(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173974858 1035738938 /nfs/dbraw/zinc/73/89/38/1035738938.db2.gz XDKSOQGPHWUVQO-OAQYLSRUSA-N 2 1 338.495 3.692 20 0 EHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C/c2ccccc2)[C@H](c2ccccc2)C1 ZINC000588177539 1035800038 /nfs/dbraw/zinc/80/00/38/1035800038.db2.gz ANJYWMZVERTFDW-UJVYDMDKSA-N 2 1 349.522 3.668 20 0 EHADMP COc1ccc2[nH+]ccc(N3CC[NH+]([C@H](C)c4cccnc4)CC3)c2c1 ZINC000892544867 1035854416 /nfs/dbraw/zinc/85/44/16/1035854416.db2.gz ILAPEHGMKKPAMW-MRXNPFEDSA-N 2 1 348.450 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000572011810 1035946744 /nfs/dbraw/zinc/94/67/44/1035946744.db2.gz KLJUOAHRNIVNLO-IAGOWNOFSA-N 2 1 326.440 3.669 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000414188648 1035957593 /nfs/dbraw/zinc/95/75/93/1035957593.db2.gz QMYCAJLJVVRWRJ-YPMHNXCESA-N 2 1 343.334 3.819 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)[C@H](C)C1 ZINC000545310306 1036059633 /nfs/dbraw/zinc/05/96/33/1036059633.db2.gz DSPIGUFETZEQGV-MDNKFWRPSA-N 2 1 330.516 3.690 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000414207840 1036072091 /nfs/dbraw/zinc/07/20/91/1036072091.db2.gz KKLAXMKVBVVYPZ-MJUUVYJYSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000414245933 1036264222 /nfs/dbraw/zinc/26/42/22/1036264222.db2.gz UATOTSXXPJUCSD-XCTOGPPJSA-N 2 1 342.527 3.975 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)[C@@H](C)O1 ZINC000414249397 1036274658 /nfs/dbraw/zinc/27/46/58/1036274658.db2.gz FGTGWCOSHSJDQO-KCHUAEFKSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000190772467 1036291533 /nfs/dbraw/zinc/29/15/33/1036291533.db2.gz CKXYJHXFBZIXRP-CYBMUJFWSA-N 2 1 329.282 3.644 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000191475965 1036389429 /nfs/dbraw/zinc/38/94/29/1036389429.db2.gz XXBYMGVHCBHNMC-QFIPXVFZSA-N 2 1 343.559 3.672 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000308424071 1036449357 /nfs/dbraw/zinc/44/93/57/1036449357.db2.gz QBMATNSGOKWQCH-OJAHFUOMSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000308424071 1036449363 /nfs/dbraw/zinc/44/93/63/1036449363.db2.gz QBMATNSGOKWQCH-OJAHFUOMSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000572661988 1036449585 /nfs/dbraw/zinc/44/95/85/1036449585.db2.gz YBWHBDNXTDRNJI-ABSDTBQOSA-N 2 1 338.499 3.736 20 0 EHADMP COC1([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000414292166 1036501617 /nfs/dbraw/zinc/50/16/17/1036501617.db2.gz AJMKZETZRVYQSY-OHSMVPPVSA-N 2 1 328.500 3.729 20 0 EHADMP COC1([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000414292175 1036502467 /nfs/dbraw/zinc/50/24/67/1036502467.db2.gz AJMKZETZRVYQSY-VOBGVNJCSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000589645846 1036577176 /nfs/dbraw/zinc/57/71/76/1036577176.db2.gz BQEOIFXAWJPSDP-UHFFFAOYSA-N 2 1 336.483 3.703 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000589645846 1036577188 /nfs/dbraw/zinc/57/71/88/1036577188.db2.gz BQEOIFXAWJPSDP-UHFFFAOYSA-N 2 1 336.483 3.703 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000090220892 1036950192 /nfs/dbraw/zinc/95/01/92/1036950192.db2.gz MDMMJNXHMOPRAG-AAORUROXSA-N 2 1 348.556 3.557 20 0 EHADMP C[C@@H]([NH2+]CCCc1cccc(Br)c1)c1c[nH+]ccc1N ZINC000643469314 1037021701 /nfs/dbraw/zinc/02/17/01/1037021701.db2.gz JUCPTMCRNHVEON-GFCCVEGCSA-N 2 1 334.261 3.540 20 0 EHADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)c(OC(F)F)cc1C ZINC000462670671 1037269649 /nfs/dbraw/zinc/26/96/49/1037269649.db2.gz UAQNIFFVPMHQLT-UHFFFAOYSA-N 2 1 326.431 3.870 20 0 EHADMP c1nc2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2[nH]1 ZINC000539849259 1037275513 /nfs/dbraw/zinc/27/55/13/1037275513.db2.gz CYUOQOYOTYDNSW-UHFFFAOYSA-N 2 1 326.488 3.651 20 0 EHADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539846313 1037276661 /nfs/dbraw/zinc/27/66/61/1037276661.db2.gz YPUKGOWGHNCQOO-BJZITVGISA-N 2 1 330.520 3.867 20 0 EHADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000532442384 1037291430 /nfs/dbraw/zinc/29/14/30/1037291430.db2.gz ZWMRXPXVYDBHIP-HZPDHXFCSA-N 2 1 349.569 3.839 20 0 EHADMP C[N@H+](CCCO)C1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000669929944 1037291791 /nfs/dbraw/zinc/29/17/91/1037291791.db2.gz NERWQBPUQVMHAJ-UHFFFAOYSA-N 2 1 338.495 3.555 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000669929944 1037291804 /nfs/dbraw/zinc/29/18/04/1037291804.db2.gz NERWQBPUQVMHAJ-UHFFFAOYSA-N 2 1 338.495 3.555 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000181106468 1037433714 /nfs/dbraw/zinc/43/37/14/1037433714.db2.gz PWQYVGLVYPIRRO-HNNXBMFYSA-N 2 1 345.314 3.879 20 0 EHADMP CCc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000540299971 1037779326 /nfs/dbraw/zinc/77/93/26/1037779326.db2.gz FPHJZHHHSUSJLC-LEWJYISDSA-N 2 1 332.532 3.773 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116837 1037785073 /nfs/dbraw/zinc/78/50/73/1037785073.db2.gz SFZZKTZMOWYWRX-WIYYLYMNSA-N 2 1 337.511 3.895 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116837 1037785084 /nfs/dbraw/zinc/78/50/84/1037785084.db2.gz SFZZKTZMOWYWRX-WIYYLYMNSA-N 2 1 337.511 3.895 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560769 1037797932 /nfs/dbraw/zinc/79/79/32/1037797932.db2.gz RMOIKMRPWZTCMD-AWEZNQCLSA-N 2 1 325.294 3.720 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000463143620 1037791579 /nfs/dbraw/zinc/79/15/79/1037791579.db2.gz IGLVBKITZBWPMC-GPQLQYNLSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000463143620 1037791600 /nfs/dbraw/zinc/79/16/00/1037791600.db2.gz IGLVBKITZBWPMC-GPQLQYNLSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000463143620 1037791620 /nfs/dbraw/zinc/79/16/20/1037791620.db2.gz IGLVBKITZBWPMC-GPQLQYNLSA-N 2 1 343.559 3.892 20 0 EHADMP Cc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463131914 1037796129 /nfs/dbraw/zinc/79/61/29/1037796129.db2.gz MUFMPTMIQFKQIT-UHFFFAOYSA-N 2 1 338.495 3.671 20 0 EHADMP C[N@@H+](CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000463147733 1037815551 /nfs/dbraw/zinc/81/55/51/1037815551.db2.gz IPDPWGSGHGANRP-UHFFFAOYSA-N 2 1 349.950 3.768 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540323847 1037816417 /nfs/dbraw/zinc/81/64/17/1037816417.db2.gz FIPDENWPGVRJPY-INIZCTEOSA-N 2 1 336.439 3.516 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000463146750 1037816542 /nfs/dbraw/zinc/81/65/42/1037816542.db2.gz PLFRRDCSTITSPY-NXLVEIQXSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463146750 1037816561 /nfs/dbraw/zinc/81/65/61/1037816561.db2.gz PLFRRDCSTITSPY-NXLVEIQXSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000463146750 1037816572 /nfs/dbraw/zinc/81/65/72/1037816572.db2.gz PLFRRDCSTITSPY-NXLVEIQXSA-N 2 1 343.559 3.750 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875462 1037897529 /nfs/dbraw/zinc/89/75/29/1037897529.db2.gz SPVBVVACDJLWIO-GZBFAFLISA-N 2 1 342.430 3.505 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875462 1037897566 /nfs/dbraw/zinc/89/75/66/1037897566.db2.gz SPVBVVACDJLWIO-GZBFAFLISA-N 2 1 342.430 3.505 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463250665 1037938434 /nfs/dbraw/zinc/93/84/34/1037938434.db2.gz NITCXCYERHAGFI-UREXAPBRSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2COc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463291980 1038002942 /nfs/dbraw/zinc/00/29/42/1038002942.db2.gz YSLOCICUXDLMSM-XFQXTVEOSA-N 2 1 340.442 3.902 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000367613226 1038283367 /nfs/dbraw/zinc/28/33/67/1038283367.db2.gz BXJLDCSNJXKVAR-SQNIBIBYSA-N 2 1 327.497 3.773 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000367613226 1038283374 /nfs/dbraw/zinc/28/33/74/1038283374.db2.gz BXJLDCSNJXKVAR-SQNIBIBYSA-N 2 1 327.497 3.773 20 0 EHADMP C[NH+](C)CCC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000511539698 1038471590 /nfs/dbraw/zinc/47/15/90/1038471590.db2.gz WWJOLWJMSBKPPN-UHFFFAOYSA-N 3 1 345.575 3.808 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000511539698 1038471594 /nfs/dbraw/zinc/47/15/94/1038471594.db2.gz WWJOLWJMSBKPPN-UHFFFAOYSA-N 2 1 345.575 3.808 20 0 EHADMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000538726573 1038508807 /nfs/dbraw/zinc/50/88/07/1038508807.db2.gz FKQILFJNHPXVRM-MJGOQNOKSA-N 2 1 329.532 3.837 20 0 EHADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538797860 1038536233 /nfs/dbraw/zinc/53/62/33/1038536233.db2.gz BUOQPVUNILOVBP-RXVVDRJESA-N 2 1 328.500 3.923 20 0 EHADMP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538797860 1038536240 /nfs/dbraw/zinc/53/62/40/1038536240.db2.gz BUOQPVUNILOVBP-RXVVDRJESA-N 2 1 328.500 3.923 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000182387473 1038591082 /nfs/dbraw/zinc/59/10/82/1038591082.db2.gz KAMXEVIALVBOND-CEMLEFRQSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182387473 1038591092 /nfs/dbraw/zinc/59/10/92/1038591092.db2.gz KAMXEVIALVBOND-CEMLEFRQSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182387473 1038591105 /nfs/dbraw/zinc/59/11/05/1038591105.db2.gz KAMXEVIALVBOND-CEMLEFRQSA-N 2 1 344.543 3.567 20 0 EHADMP Cc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C)n1 ZINC000659993562 1038648200 /nfs/dbraw/zinc/64/82/00/1038648200.db2.gz PIJIRIRCHZZBFL-UTKZUKDTSA-N 2 1 338.499 3.578 20 0 EHADMP C[C@@H]1CCCCN1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552033743 1038700344 /nfs/dbraw/zinc/70/03/44/1038700344.db2.gz QEHWSICLKDLDLS-JSRJAPPDSA-N 2 1 343.559 3.894 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000539162096 1038710672 /nfs/dbraw/zinc/71/06/72/1038710672.db2.gz TYDMUFAANUCMIL-NRFANRHFSA-N 2 1 347.522 3.593 20 0 EHADMP C[C@@H]1C[N@@H+](C(C)(C)CNc2cc[nH+]c3cc(F)ccc23)C[C@H](C)O1 ZINC000500501574 1038853919 /nfs/dbraw/zinc/85/39/19/1038853919.db2.gz MXYUYXYISUYXRO-OKILXGFUSA-N 2 1 331.435 3.674 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000559260263 1038912123 /nfs/dbraw/zinc/91/21/23/1038912123.db2.gz VWUKFMMJOHAZOM-IPMKNSEASA-N 2 1 338.536 3.599 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CNCc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000480028063 1039052807 /nfs/dbraw/zinc/05/28/07/1039052807.db2.gz WWMDDPOAHPGOCQ-SFHVURJKSA-N 2 1 346.515 3.852 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000480028063 1039052825 /nfs/dbraw/zinc/05/28/25/1039052825.db2.gz WWMDDPOAHPGOCQ-SFHVURJKSA-N 2 1 346.515 3.852 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000480028063 1039052846 /nfs/dbraw/zinc/05/28/46/1039052846.db2.gz WWMDDPOAHPGOCQ-SFHVURJKSA-N 2 1 346.515 3.852 20 0 EHADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC(F)(F)F)cc1 ZINC000552280336 1039152273 /nfs/dbraw/zinc/15/22/73/1039152273.db2.gz DNQNZRKDFVGFHS-HNNXBMFYSA-N 2 1 327.350 3.602 20 0 EHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653833 1039173715 /nfs/dbraw/zinc/17/37/15/1039173715.db2.gz BPJQACDDJWXJEJ-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653833 1039173721 /nfs/dbraw/zinc/17/37/21/1039173721.db2.gz BPJQACDDJWXJEJ-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653833 1039173725 /nfs/dbraw/zinc/17/37/25/1039173725.db2.gz BPJQACDDJWXJEJ-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653833 1039173736 /nfs/dbraw/zinc/17/37/36/1039173736.db2.gz BPJQACDDJWXJEJ-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP COCc1csc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667620932 1039175617 /nfs/dbraw/zinc/17/56/17/1039175617.db2.gz VBGLFFFYKRSCLW-SFHVURJKSA-N 2 1 344.524 3.848 20 0 EHADMP COCc1csc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000667620932 1039175644 /nfs/dbraw/zinc/17/56/44/1039175644.db2.gz VBGLFFFYKRSCLW-SFHVURJKSA-N 2 1 344.524 3.848 20 0 EHADMP COCc1csc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667620932 1039175659 /nfs/dbraw/zinc/17/56/59/1039175659.db2.gz VBGLFFFYKRSCLW-SFHVURJKSA-N 2 1 344.524 3.848 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C[C@H]4CCC=CO4)CC[C@@H]3C2)cc1 ZINC000898518698 1039188874 /nfs/dbraw/zinc/18/88/74/1039188874.db2.gz JMSROPIHXFTHHA-IVAOSVALSA-N 2 1 326.484 3.569 20 0 EHADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518746 1039189508 /nfs/dbraw/zinc/18/95/08/1039189508.db2.gz KXPRTZDVXXNIDQ-LGKHCZOZSA-N 2 1 330.541 3.628 20 0 EHADMP COCC1(C)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000500723443 1039273767 /nfs/dbraw/zinc/27/37/67/1039273767.db2.gz VLKIZUPUYKYTSW-UHFFFAOYSA-N 2 1 332.532 3.893 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478230213 1039304205 /nfs/dbraw/zinc/30/42/05/1039304205.db2.gz NGJZHZMJFCFOLY-ROUUACIJSA-N 2 1 332.488 3.604 20 0 EHADMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000488719284 1039355364 /nfs/dbraw/zinc/35/53/64/1039355364.db2.gz XDCGALYYUXXSAU-QGZVFWFLSA-N 2 1 346.272 3.529 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000488719284 1039355376 /nfs/dbraw/zinc/35/53/76/1039355376.db2.gz XDCGALYYUXXSAU-QGZVFWFLSA-N 2 1 346.272 3.529 20 0 EHADMP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000488730992 1039371511 /nfs/dbraw/zinc/37/15/11/1039371511.db2.gz LIRJCMDZAYFTPG-LJQANCHMSA-N 2 1 347.409 3.677 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000480282356 1039393828 /nfs/dbraw/zinc/39/38/28/1039393828.db2.gz YWSMEDROXNHIQQ-INIZCTEOSA-N 2 1 338.451 3.514 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000480282356 1039393834 /nfs/dbraw/zinc/39/38/34/1039393834.db2.gz YWSMEDROXNHIQQ-INIZCTEOSA-N 2 1 338.451 3.514 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000394800100 1039446640 /nfs/dbraw/zinc/44/66/40/1039446640.db2.gz LSIPMHYSNQHBIF-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000394800100 1039446648 /nfs/dbraw/zinc/44/66/48/1039446648.db2.gz LSIPMHYSNQHBIF-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000394800095 1039448243 /nfs/dbraw/zinc/44/82/43/1039448243.db2.gz LSIPMHYSNQHBIF-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000394800095 1039448254 /nfs/dbraw/zinc/44/82/54/1039448254.db2.gz LSIPMHYSNQHBIF-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCNc4ccccc43)CC2)[nH+]1 ZINC000345053130 1039601502 /nfs/dbraw/zinc/60/15/02/1039601502.db2.gz ZHBPTPIBIQQIKJ-HXUWFJFHSA-N 2 1 336.483 3.895 20 0 EHADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480539627 1039660503 /nfs/dbraw/zinc/66/05/03/1039660503.db2.gz VCKBJPZYYCBYHK-NNWRFLSQSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000480609810 1039749328 /nfs/dbraw/zinc/74/93/28/1039749328.db2.gz KETWYJLHZXGBQB-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000480609810 1039749342 /nfs/dbraw/zinc/74/93/42/1039749342.db2.gz KETWYJLHZXGBQB-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000480609810 1039749357 /nfs/dbraw/zinc/74/93/57/1039749357.db2.gz KETWYJLHZXGBQB-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000480609865 1039749916 /nfs/dbraw/zinc/74/99/16/1039749916.db2.gz KPFPTPBKFUZMLG-QYZOEREBSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000480609865 1039749934 /nfs/dbraw/zinc/74/99/34/1039749934.db2.gz KPFPTPBKFUZMLG-QYZOEREBSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000480609864 1039750581 /nfs/dbraw/zinc/75/05/81/1039750581.db2.gz KPFPTPBKFUZMLG-QRVBRYPASA-N 2 1 347.547 3.541 20 0 EHADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000480609864 1039750600 /nfs/dbraw/zinc/75/06/00/1039750600.db2.gz KPFPTPBKFUZMLG-QRVBRYPASA-N 2 1 347.547 3.541 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@@H]2CCC[C@H]21 ZINC000584830885 1040007979 /nfs/dbraw/zinc/00/79/79/1040007979.db2.gz VGRJSGZDLOTCEL-SLFFLAALSA-N 2 1 330.516 3.964 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cccc(F)c1Br ZINC000156677482 1040160642 /nfs/dbraw/zinc/16/06/42/1040160642.db2.gz XPRKEEPWNDWSOW-CYBMUJFWSA-N 2 1 343.284 3.942 20 0 EHADMP CC(C)(C)OC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000490173453 1040383495 /nfs/dbraw/zinc/38/34/95/1040383495.db2.gz VLUJOAMSBCSPEK-UHFFFAOYSA-N 2 1 330.516 3.629 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000500068249 1040431168 /nfs/dbraw/zinc/43/11/68/1040431168.db2.gz ATXWFYIZXCELEP-OAQYLSRUSA-N 2 1 335.580 3.837 20 0 EHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(CCC([NH+](C)C)CC4)CC3)c2c1C ZINC000663946145 1040549537 /nfs/dbraw/zinc/54/95/37/1040549537.db2.gz QYSJYWGNXYXAGD-UHFFFAOYSA-N 2 1 341.503 3.666 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000500249587 1040799607 /nfs/dbraw/zinc/79/96/07/1040799607.db2.gz LPYGMFBBLCVRFN-YXYSEUPNSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963868 1040844210 /nfs/dbraw/zinc/84/42/10/1040844210.db2.gz ZUCQNTXVOMCXMQ-WCHWRFHJSA-N 2 1 349.607 3.797 20 0 EHADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924873086 1040845745 /nfs/dbraw/zinc/84/57/45/1040845745.db2.gz JSLOHMUPIRUESP-SCTDSRPQSA-N 2 1 338.561 3.879 20 0 EHADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924873086 1040845757 /nfs/dbraw/zinc/84/57/57/1040845757.db2.gz JSLOHMUPIRUESP-SCTDSRPQSA-N 2 1 338.561 3.879 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001167752547 1040848965 /nfs/dbraw/zinc/84/89/65/1040848965.db2.gz VXIZRTDJDAOBMB-PKOBYXMFSA-N 2 1 330.520 3.915 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001167752547 1040848980 /nfs/dbraw/zinc/84/89/80/1040848980.db2.gz VXIZRTDJDAOBMB-PKOBYXMFSA-N 2 1 330.520 3.915 20 0 EHADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CCCCC2)cc1 ZINC000481556234 1041066021 /nfs/dbraw/zinc/06/60/21/1041066021.db2.gz JEHVFFDWYZJWNI-MJGOQNOKSA-N 2 1 330.516 3.969 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)CC[N@H+]1C ZINC000481583385 1041114969 /nfs/dbraw/zinc/11/49/69/1041114969.db2.gz QRFOFLXLJKUYHK-SJLPKXTDSA-N 2 1 344.499 3.690 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000570964188 1041128090 /nfs/dbraw/zinc/12/80/90/1041128090.db2.gz HGKOKNRDKLXCIS-AQNXPRMDSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000570964188 1041128100 /nfs/dbraw/zinc/12/81/00/1041128100.db2.gz HGKOKNRDKLXCIS-AQNXPRMDSA-N 2 1 328.500 3.729 20 0 EHADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000571164613 1041211733 /nfs/dbraw/zinc/21/17/33/1041211733.db2.gz PXILOOPXUQVCPP-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000571164613 1041211752 /nfs/dbraw/zinc/21/17/52/1041211752.db2.gz PXILOOPXUQVCPP-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000571164613 1041211770 /nfs/dbraw/zinc/21/17/70/1041211770.db2.gz PXILOOPXUQVCPP-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412012039 1041219608 /nfs/dbraw/zinc/21/96/08/1041219608.db2.gz LKJOIQYIKLVHPT-FQEVSTJZSA-N 2 1 339.483 3.825 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412012039 1041219627 /nfs/dbraw/zinc/21/96/27/1041219627.db2.gz LKJOIQYIKLVHPT-FQEVSTJZSA-N 2 1 339.483 3.825 20 0 EHADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000660694156 1041774580 /nfs/dbraw/zinc/77/45/80/1041774580.db2.gz VDSJVLQIOIKQDS-SFHVURJKSA-N 2 1 340.511 3.973 20 0 EHADMP CCc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000651687403 1041912039 /nfs/dbraw/zinc/91/20/39/1041912039.db2.gz AWIRDEWKLINPRA-GOSISDBHSA-N 2 1 338.495 3.760 20 0 EHADMP CCc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000651687403 1041912046 /nfs/dbraw/zinc/91/20/46/1041912046.db2.gz AWIRDEWKLINPRA-GOSISDBHSA-N 2 1 338.495 3.760 20 0 EHADMP C[C@@H](NCc1cc2cnccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651756455 1041998935 /nfs/dbraw/zinc/99/89/35/1041998935.db2.gz YDMWGOJRUXRXML-AEFFLSMTSA-N 2 1 335.451 3.828 20 0 EHADMP C[C@@H]([NH2+]Cc1cc2cnccc2o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651756455 1041998942 /nfs/dbraw/zinc/99/89/42/1041998942.db2.gz YDMWGOJRUXRXML-AEFFLSMTSA-N 2 1 335.451 3.828 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652150913 1042242253 /nfs/dbraw/zinc/24/22/53/1042242253.db2.gz CCZHORZUCXVIPS-RTWAWAEBSA-N 2 1 345.531 3.530 20 0 EHADMP Cc1ccc2[nH]c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cc2c1C ZINC000473146649 1042339553 /nfs/dbraw/zinc/33/95/53/1042339553.db2.gz UXBDCXMAYATIFH-UHFFFAOYSA-N 2 1 336.483 3.973 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661872389 1042380056 /nfs/dbraw/zinc/38/00/56/1042380056.db2.gz AUUPNCILJTVPGB-TZIWHRDSSA-N 2 1 339.483 3.962 20 0 EHADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000249038750 1042532236 /nfs/dbraw/zinc/53/22/36/1042532236.db2.gz UBWYLSUCOSOPPM-LRSLUSHPSA-N 2 1 342.527 3.713 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662215195 1042609298 /nfs/dbraw/zinc/60/92/98/1042609298.db2.gz RWIQNEIGXIDOAD-IBGZPJMESA-N 2 1 326.484 3.801 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263442 1042641856 /nfs/dbraw/zinc/64/18/56/1042641856.db2.gz BHOLYCUBBJYTHP-CZUORRHYSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263442 1042641861 /nfs/dbraw/zinc/64/18/61/1042641861.db2.gz BHOLYCUBBJYTHP-CZUORRHYSA-N 2 1 326.456 3.521 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299138 1042665567 /nfs/dbraw/zinc/66/55/67/1042665567.db2.gz ZYFYHFIMVHEYBX-LJQANCHMSA-N 2 1 339.483 3.862 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])co2)cc1 ZINC000662313201 1042677168 /nfs/dbraw/zinc/67/71/68/1042677168.db2.gz GHARQZPUQIDQJY-DNVCBOLYSA-N 2 1 343.471 3.690 20 0 EHADMP CC(C)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000663322809 1042681548 /nfs/dbraw/zinc/68/15/48/1042681548.db2.gz BHBJJEAUPMZTNX-QFIPXVFZSA-N 2 1 338.495 3.666 20 0 EHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321429 1042684324 /nfs/dbraw/zinc/68/43/24/1042684324.db2.gz IEYMKZLUJOXDOO-HKUYNNGSSA-N 2 1 326.484 3.943 20 0 EHADMP Fc1cc2cccnc2c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345054 1042732692 /nfs/dbraw/zinc/73/26/92/1042732692.db2.gz GGTGFZCZFJGZSS-MRXNPFEDSA-N 2 1 327.447 3.586 20 0 EHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C2CCCCC2)n1 ZINC000663346898 1042733890 /nfs/dbraw/zinc/73/38/90/1042733890.db2.gz WVXYTGNJWWLNPX-GOSISDBHSA-N 2 1 344.547 3.679 20 0 EHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C2CCCCC2)n1 ZINC000663346898 1042733894 /nfs/dbraw/zinc/73/38/94/1042733894.db2.gz WVXYTGNJWWLNPX-GOSISDBHSA-N 2 1 344.547 3.679 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)cs1 ZINC000278874905 1042800802 /nfs/dbraw/zinc/80/08/02/1042800802.db2.gz CBLZZHMADGKXJH-WDEREUQCSA-N 2 1 340.290 3.620 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H](C)C1 ZINC000663478064 1042907675 /nfs/dbraw/zinc/90/76/75/1042907675.db2.gz JZUQFEANWZXBAF-LSDHHAIUSA-N 2 1 338.458 3.692 20 0 EHADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925778580 1042909901 /nfs/dbraw/zinc/90/99/01/1042909901.db2.gz JVVSIKASLUFBMQ-GOEBONIOSA-N 2 1 326.431 3.617 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432350373 1042986556 /nfs/dbraw/zinc/98/65/56/1042986556.db2.gz YRUZAZMZCPGNSX-HNNXBMFYSA-N 2 1 344.421 3.604 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000432409963 1043111655 /nfs/dbraw/zinc/11/16/55/1043111655.db2.gz KPWKPJYFGXXBAK-UONOGXRCSA-N 2 1 330.925 3.943 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000432409963 1043111659 /nfs/dbraw/zinc/11/16/59/1043111659.db2.gz KPWKPJYFGXXBAK-UONOGXRCSA-N 2 1 330.925 3.943 20 0 EHADMP CCC[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414612 1043127933 /nfs/dbraw/zinc/12/79/33/1043127933.db2.gz AACMPBDQKICNLW-PZJWPPBQSA-N 2 1 332.532 3.878 20 0 EHADMP CCC[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414612 1043127937 /nfs/dbraw/zinc/12/79/37/1043127937.db2.gz AACMPBDQKICNLW-PZJWPPBQSA-N 2 1 332.532 3.878 20 0 EHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414700 1043130660 /nfs/dbraw/zinc/13/06/60/1043130660.db2.gz ALCYYBZBWWOOPW-HUUCEWRRSA-N 2 1 344.952 3.813 20 0 EHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414700 1043130666 /nfs/dbraw/zinc/13/06/66/1043130666.db2.gz ALCYYBZBWWOOPW-HUUCEWRRSA-N 2 1 344.952 3.813 20 0 EHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000279006324 1043172632 /nfs/dbraw/zinc/17/26/32/1043172632.db2.gz SDRVXQUEXLGLAD-FUHWJXTLSA-N 2 1 325.456 3.566 20 0 EHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432426426 1043177202 /nfs/dbraw/zinc/17/72/02/1043177202.db2.gz ZYRQAKTTZKQAKA-LSDHHAIUSA-N 2 1 340.895 3.500 20 0 EHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432426426 1043177205 /nfs/dbraw/zinc/17/72/05/1043177205.db2.gz ZYRQAKTTZKQAKA-LSDHHAIUSA-N 2 1 340.895 3.500 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)(F)F ZINC000279011243 1043188525 /nfs/dbraw/zinc/18/85/25/1043188525.db2.gz SXGOKSYQTVDABQ-CHWSQXEVSA-N 2 1 339.361 3.695 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432447892 1043274114 /nfs/dbraw/zinc/27/41/14/1043274114.db2.gz QTVOJBFZCKRASA-GIVPXCGWSA-N 2 1 330.516 3.722 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432447892 1043274121 /nfs/dbraw/zinc/27/41/21/1043274121.db2.gz QTVOJBFZCKRASA-GIVPXCGWSA-N 2 1 330.516 3.722 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4ccccc43)CC2)oc1C ZINC000162737075 1043773723 /nfs/dbraw/zinc/77/37/23/1043773723.db2.gz BCQWGMZLSFLDNX-HXUWFJFHSA-N 2 1 339.483 3.781 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374663 1043945843 /nfs/dbraw/zinc/94/58/43/1043945843.db2.gz IHJCGUKIXRSGHI-STQMWFEESA-N 2 1 347.450 3.826 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374663 1043945855 /nfs/dbraw/zinc/94/58/55/1043945855.db2.gz IHJCGUKIXRSGHI-STQMWFEESA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374663 1043945858 /nfs/dbraw/zinc/94/58/58/1043945858.db2.gz IHJCGUKIXRSGHI-STQMWFEESA-N 2 1 347.450 3.826 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000163374663 1043945870 /nfs/dbraw/zinc/94/58/70/1043945870.db2.gz IHJCGUKIXRSGHI-STQMWFEESA-N 2 1 347.450 3.826 20 0 EHADMP Fc1cc(Br)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197473 1044169639 /nfs/dbraw/zinc/16/96/39/1044169639.db2.gz BGHXIFQJLTYXHG-INIZCTEOSA-N 2 1 341.268 3.552 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000623834087 1044472265 /nfs/dbraw/zinc/47/22/65/1044472265.db2.gz LDFFLIJVOWAKSM-UHFFFAOYSA-N 2 1 328.847 3.615 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000172846584 1126816791 /nfs/dbraw/zinc/81/67/91/1126816791.db2.gz DUKZMLXYNNDNJQ-FZMZJTMJSA-N 2 1 332.822 3.856 20 0 EHADMP CC1CC[NH+]([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337539 1126918808 /nfs/dbraw/zinc/91/88/08/1126918808.db2.gz OIBOSPMYCSUSAM-ROUUACIJSA-N 2 1 349.588 3.984 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623372723 1126937948 /nfs/dbraw/zinc/93/79/48/1126937948.db2.gz CQFDWTVDNZNKQB-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623372723 1126937952 /nfs/dbraw/zinc/93/79/52/1126937952.db2.gz CQFDWTVDNZNKQB-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)CC1(C)C ZINC000623405466 1126948567 /nfs/dbraw/zinc/94/85/67/1126948567.db2.gz IOSVCNYIUPKFAV-WBMJQRKESA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623449290 1126958527 /nfs/dbraw/zinc/95/85/27/1126958527.db2.gz PSMXLMXRFGKDBB-GGPKGHCWSA-N 2 1 343.559 3.605 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC1(C)C ZINC000623534039 1126972912 /nfs/dbraw/zinc/97/29/12/1126972912.db2.gz UYTWKXAWICTNMX-MRXNPFEDSA-N 2 1 348.560 3.516 20 0 EHADMP CN(Cc1cccc2c1NCC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346833915 1126981525 /nfs/dbraw/zinc/98/15/25/1126981525.db2.gz SHTDDDCRBKSVTG-IBGZPJMESA-N 2 1 335.495 3.609 20 0 EHADMP C[N@@H+](Cc1cccc2c1NCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000346833915 1126981529 /nfs/dbraw/zinc/98/15/29/1126981529.db2.gz SHTDDDCRBKSVTG-IBGZPJMESA-N 2 1 335.495 3.609 20 0 EHADMP C[N@H+](Cc1cccc2c1NCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000346833915 1126981533 /nfs/dbraw/zinc/98/15/33/1126981533.db2.gz SHTDDDCRBKSVTG-IBGZPJMESA-N 2 1 335.495 3.609 20 0 EHADMP C[NH+](Cc1cccc2c1NCC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000346833915 1126981536 /nfs/dbraw/zinc/98/15/36/1126981536.db2.gz SHTDDDCRBKSVTG-IBGZPJMESA-N 2 1 335.495 3.609 20 0 EHADMP C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724863 1126994371 /nfs/dbraw/zinc/99/43/71/1126994371.db2.gz STQZZMKSLNHBFG-MJGOQNOKSA-N 2 1 341.499 3.570 20 0 EHADMP C[N@H+]1CCCC[C@H](CNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623657155 1127005856 /nfs/dbraw/zinc/00/58/56/1127005856.db2.gz KNNGNLXPYHYITI-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623657155 1127005858 /nfs/dbraw/zinc/00/58/58/1127005858.db2.gz KNNGNLXPYHYITI-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623657155 1127005862 /nfs/dbraw/zinc/00/58/62/1127005862.db2.gz KNNGNLXPYHYITI-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+]1CCCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656722 1127006596 /nfs/dbraw/zinc/00/65/96/1127006596.db2.gz AHKMLGYDJAFWGU-RTWAWAEBSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656722 1127006603 /nfs/dbraw/zinc/00/66/03/1127006603.db2.gz AHKMLGYDJAFWGU-RTWAWAEBSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656722 1127006606 /nfs/dbraw/zinc/00/66/06/1127006606.db2.gz AHKMLGYDJAFWGU-RTWAWAEBSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656722 1127006612 /nfs/dbraw/zinc/00/66/12/1127006612.db2.gz AHKMLGYDJAFWGU-RTWAWAEBSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656722 1127006617 /nfs/dbraw/zinc/00/66/17/1127006617.db2.gz AHKMLGYDJAFWGU-RTWAWAEBSA-N 2 1 341.543 3.505 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccccc3)CC2)cc1 ZINC000178144684 1127010849 /nfs/dbraw/zinc/01/08/49/1127010849.db2.gz NNUQPJLPKPNRMA-UHFFFAOYSA-N 2 1 326.459 3.665 20 0 EHADMP c1cc(C[NH2+]Cc2nccc3c2CCCC3)cc(C[NH+]2CCCC2)c1 ZINC000921501185 1127049436 /nfs/dbraw/zinc/04/94/36/1127049436.db2.gz IROZDHXBURNFCN-UHFFFAOYSA-N 2 1 335.495 3.846 20 0 EHADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H]2C[C@H]2C1 ZINC000623741636 1127083182 /nfs/dbraw/zinc/08/31/82/1127083182.db2.gz UJFIKPJYAISGFF-WGMWDUQUSA-N 2 1 330.491 3.858 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000921508136 1127137420 /nfs/dbraw/zinc/13/74/20/1127137420.db2.gz VOYHOMOYOFLJKH-UHFFFAOYSA-N 2 1 346.906 3.901 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623798999 1127181184 /nfs/dbraw/zinc/18/11/84/1127181184.db2.gz LRHUURAIHKKYTK-HOTGVXAUSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000623798999 1127181187 /nfs/dbraw/zinc/18/11/87/1127181187.db2.gz LRHUURAIHKKYTK-HOTGVXAUSA-N 2 1 345.314 3.879 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCCO1 ZINC000624016287 1127234297 /nfs/dbraw/zinc/23/42/97/1127234297.db2.gz SUVFVWSYZZDOEF-SESVDKBCSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121249 1127256355 /nfs/dbraw/zinc/25/63/55/1127256355.db2.gz RFMQMOUFTQTEHI-WMZOPIPTSA-N 2 1 326.488 3.563 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121379 1127257165 /nfs/dbraw/zinc/25/71/65/1127257165.db2.gz UXGZBUFBLBRTHV-SJORKVTESA-N 2 1 346.519 3.599 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624124158 1127257668 /nfs/dbraw/zinc/25/76/68/1127257668.db2.gz YQAOPGACAHMZIR-IXDOHACOSA-N 2 1 334.504 3.517 20 0 EHADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624170225 1127268387 /nfs/dbraw/zinc/26/83/87/1127268387.db2.gz NUKRIKXATUWYHV-PKOBYXMFSA-N 2 1 334.891 3.560 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000365327084 1127389191 /nfs/dbraw/zinc/38/91/91/1127389191.db2.gz PGRLKHVZIJNVLM-UHFFFAOYSA-N 2 1 335.289 3.547 20 0 EHADMP COCc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355289 1127483387 /nfs/dbraw/zinc/48/33/87/1127483387.db2.gz NJCOHELHXDPCEU-PGRDOPGGSA-N 2 1 338.495 3.833 20 0 EHADMP Brc1cc2c(s1)CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000382459098 1127510698 /nfs/dbraw/zinc/51/06/98/1127510698.db2.gz WWLJYNABFCFNMR-CYBMUJFWSA-N 2 1 343.334 3.964 20 0 EHADMP C[C@H]([NH2+][C@H]1COCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385672958 1127610401 /nfs/dbraw/zinc/61/04/01/1127610401.db2.gz FDINATCMOCHPNZ-JLMWRMLUSA-N 2 1 336.479 3.758 20 0 EHADMP C[C@H]([NH2+][C@H]1COCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385672958 1127610402 /nfs/dbraw/zinc/61/04/02/1127610402.db2.gz FDINATCMOCHPNZ-JLMWRMLUSA-N 2 1 336.479 3.758 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921528868 1127670420 /nfs/dbraw/zinc/67/04/20/1127670420.db2.gz WPSZSHDPRUTZHE-UHFFFAOYSA-N 2 1 340.515 3.813 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)[C@H](C)C1 ZINC000624290034 1127786318 /nfs/dbraw/zinc/78/63/18/1127786318.db2.gz UPPJNGSFKHHAQZ-PXAZEXFGSA-N 2 1 337.870 3.823 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921619252 1127837211 /nfs/dbraw/zinc/83/72/11/1127837211.db2.gz NYMOQIIAUFXEBW-GOSISDBHSA-N 2 1 325.456 3.694 20 0 EHADMP Cc1ccc([C@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000282159355 1128014269 /nfs/dbraw/zinc/01/42/69/1128014269.db2.gz UBPJUWUQXPYRMV-NRFANRHFSA-N 2 1 343.559 3.509 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000061052261 1128118532 /nfs/dbraw/zinc/11/85/32/1128118532.db2.gz WDJBGORYSXGPJB-UHFFFAOYSA-N 2 1 336.863 3.943 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741391 1128177786 /nfs/dbraw/zinc/17/77/86/1128177786.db2.gz IHRUFEBHIFXSQD-RBSFLKMASA-N 2 1 331.460 3.552 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741450 1128177974 /nfs/dbraw/zinc/17/79/74/1128177974.db2.gz SAJHFOSXGFERSX-HUUCEWRRSA-N 2 1 331.460 3.839 20 0 EHADMP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2s1 ZINC000655791174 1128371127 /nfs/dbraw/zinc/37/11/27/1128371127.db2.gz GTBAQAYEMHIRDZ-SFHVURJKSA-N 2 1 330.497 3.634 20 0 EHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186360209 1128402768 /nfs/dbraw/zinc/40/27/68/1128402768.db2.gz MLIQFAIWCWFWHZ-UHFFFAOYSA-N 2 1 332.488 3.543 20 0 EHADMP CC(C)OCCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001168679292 1128801388 /nfs/dbraw/zinc/80/13/88/1128801388.db2.gz JHRHJXAMHSOAHV-QGZVFWFLSA-N 2 1 330.476 3.578 20 0 EHADMP C[N@@H+](CCC(F)(F)F)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092479881 1120017917 /nfs/dbraw/zinc/01/79/17/1120017917.db2.gz SMSSOHASDJWRQX-UHFFFAOYSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC001648791843 1120032175 /nfs/dbraw/zinc/03/21/75/1120032175.db2.gz BOBBYBWLIGQEPW-GOSISDBHSA-N 2 1 348.494 3.999 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC001648791843 1120032180 /nfs/dbraw/zinc/03/21/80/1120032180.db2.gz BOBBYBWLIGQEPW-GOSISDBHSA-N 2 1 348.494 3.999 20 0 EHADMP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168692855 1128887869 /nfs/dbraw/zinc/88/78/69/1128887869.db2.gz AOOOFEODLOZLMQ-XFIJJGBISA-N 2 1 338.882 3.527 20 0 EHADMP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168692855 1128887873 /nfs/dbraw/zinc/88/78/73/1128887873.db2.gz AOOOFEODLOZLMQ-XFIJJGBISA-N 2 1 338.882 3.527 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000189445173 1120586443 /nfs/dbraw/zinc/58/64/43/1120586443.db2.gz LMKXYNFEKZWVBI-VHDGCEQUSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000189445173 1120586446 /nfs/dbraw/zinc/58/64/46/1120586446.db2.gz LMKXYNFEKZWVBI-VHDGCEQUSA-N 2 1 342.314 3.644 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386568 1120671521 /nfs/dbraw/zinc/67/15/21/1120671521.db2.gz VITBRIAYLGBSCV-FUHWJXTLSA-N 2 1 334.552 3.965 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386568 1120671522 /nfs/dbraw/zinc/67/15/22/1120671522.db2.gz VITBRIAYLGBSCV-FUHWJXTLSA-N 2 1 334.552 3.965 20 0 EHADMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632286 1120800567 /nfs/dbraw/zinc/80/05/67/1120800567.db2.gz WQLXLKSNQWOCHT-LJQANCHMSA-N 2 1 332.488 3.717 20 0 EHADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632286 1120800569 /nfs/dbraw/zinc/80/05/69/1120800569.db2.gz WQLXLKSNQWOCHT-LJQANCHMSA-N 2 1 332.488 3.717 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000157013066 1128946922 /nfs/dbraw/zinc/94/69/22/1128946922.db2.gz AHDDCHLBPCEPNV-NNMXDRDESA-N 3 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000157013066 1128946924 /nfs/dbraw/zinc/94/69/24/1128946924.db2.gz AHDDCHLBPCEPNV-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000157013066 1128946927 /nfs/dbraw/zinc/94/69/27/1128946927.db2.gz AHDDCHLBPCEPNV-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000157013066 1128946929 /nfs/dbraw/zinc/94/69/29/1128946929.db2.gz AHDDCHLBPCEPNV-NNMXDRDESA-N 2 1 343.559 3.737 20 0 EHADMP CCOc1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531042 1120924646 /nfs/dbraw/zinc/92/46/46/1120924646.db2.gz IRIPRYUBHGOABO-ROUUACIJSA-N 2 1 346.515 3.707 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000232654247 1121136084 /nfs/dbraw/zinc/13/60/84/1121136084.db2.gz PYSRSDZBIUNWIL-UHFFFAOYSA-N 2 1 339.730 3.984 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000232654247 1121136088 /nfs/dbraw/zinc/13/60/88/1121136088.db2.gz PYSRSDZBIUNWIL-UHFFFAOYSA-N 2 1 339.730 3.984 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001168489394 1121268086 /nfs/dbraw/zinc/26/80/86/1121268086.db2.gz DIBRLZWQUVTLKI-UIFIKXQLSA-N 2 1 338.470 3.821 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001168489394 1121268090 /nfs/dbraw/zinc/26/80/90/1121268090.db2.gz DIBRLZWQUVTLKI-UIFIKXQLSA-N 2 1 338.470 3.821 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001168489394 1121268094 /nfs/dbraw/zinc/26/80/94/1121268094.db2.gz DIBRLZWQUVTLKI-UIFIKXQLSA-N 2 1 338.470 3.821 20 0 EHADMP Cc1cccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000237768583 1121493681 /nfs/dbraw/zinc/49/36/81/1121493681.db2.gz OJQHLQJNPKTXRV-UHFFFAOYSA-N 2 1 338.495 3.671 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000316718879 1121598421 /nfs/dbraw/zinc/59/84/21/1121598421.db2.gz FEPLVJAVQNTYKS-UHFFFAOYSA-N 2 1 328.300 3.766 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000316718879 1121598429 /nfs/dbraw/zinc/59/84/29/1121598429.db2.gz FEPLVJAVQNTYKS-UHFFFAOYSA-N 2 1 328.300 3.766 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000397314519 1121705821 /nfs/dbraw/zinc/70/58/21/1121705821.db2.gz KRXMUXSYVYLCLQ-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000397314519 1121705827 /nfs/dbraw/zinc/70/58/27/1121705827.db2.gz KRXMUXSYVYLCLQ-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000648875650 1121781657 /nfs/dbraw/zinc/78/16/57/1121781657.db2.gz ZRMISZFEQDARJX-INIZCTEOSA-N 2 1 342.487 3.877 20 0 EHADMP CCC[NH+]1CCC(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000397996577 1121957792 /nfs/dbraw/zinc/95/77/92/1121957792.db2.gz CAYKDMMMHQOVKK-OAQYLSRUSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000397996577 1121957799 /nfs/dbraw/zinc/95/77/99/1121957799.db2.gz CAYKDMMMHQOVKK-OAQYLSRUSA-N 2 1 331.548 3.607 20 0 EHADMP COc1ccccc1CC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000125093386 1122305145 /nfs/dbraw/zinc/30/51/45/1122305145.db2.gz KBCQYXIXBFMUPF-UHFFFAOYSA-N 2 1 327.472 3.545 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000127422015 1122483070 /nfs/dbraw/zinc/48/30/70/1122483070.db2.gz LMMLBRQMBMCWOO-HXUWFJFHSA-N 2 1 348.450 3.551 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000556093600 1122809704 /nfs/dbraw/zinc/80/97/04/1122809704.db2.gz KHLSHUDVVWSZFX-SFTDATJTSA-N 2 1 336.479 3.589 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000556093600 1122809708 /nfs/dbraw/zinc/80/97/08/1122809708.db2.gz KHLSHUDVVWSZFX-SFTDATJTSA-N 2 1 336.479 3.589 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231217 1122892597 /nfs/dbraw/zinc/89/25/97/1122892597.db2.gz DIEZGOUBCZPBRY-RTWAWAEBSA-N 2 1 342.527 3.693 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000556858530 1123154749 /nfs/dbraw/zinc/15/47/49/1123154749.db2.gz QVVWQCSCTFSPHO-ILXRZTDVSA-N 2 1 328.378 3.548 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000556892368 1123176972 /nfs/dbraw/zinc/17/69/72/1123176972.db2.gz KOFMCYRBOMAYJO-DYXWJJEUSA-N 2 1 327.516 3.639 20 0 EHADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000556922686 1123210409 /nfs/dbraw/zinc/21/04/09/1123210409.db2.gz FTPLRWWSOBJIDR-BRWVUGGUSA-N 2 1 338.417 3.829 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132413944 1123226193 /nfs/dbraw/zinc/22/61/93/1123226193.db2.gz BRSMMQPICFEHNY-MRXNPFEDSA-N 2 1 327.394 3.552 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000556981894 1123253600 /nfs/dbraw/zinc/25/36/00/1123253600.db2.gz QZNGFCXIKAICMI-QGZVFWFLSA-N 2 1 348.288 3.782 20 0 EHADMP Fc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134878106 1123560485 /nfs/dbraw/zinc/56/04/85/1123560485.db2.gz UQFZPNGRPPNFKR-UZLBHIALSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134878106 1123560489 /nfs/dbraw/zinc/56/04/89/1123560489.db2.gz UQFZPNGRPPNFKR-UZLBHIALSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134878106 1123560494 /nfs/dbraw/zinc/56/04/94/1123560494.db2.gz UQFZPNGRPPNFKR-UZLBHIALSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134878106 1123560498 /nfs/dbraw/zinc/56/04/98/1123560498.db2.gz UQFZPNGRPPNFKR-UZLBHIALSA-N 2 1 332.463 3.543 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000517226294 1123718964 /nfs/dbraw/zinc/71/89/64/1123718964.db2.gz MFRWFGTXJHVZOE-SLFFLAALSA-N 2 1 328.500 3.903 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000517226294 1123718966 /nfs/dbraw/zinc/71/89/66/1123718966.db2.gz MFRWFGTXJHVZOE-SLFFLAALSA-N 2 1 328.500 3.903 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000163459352 1123879461 /nfs/dbraw/zinc/87/94/61/1123879461.db2.gz AHHHRYVKGKJPJO-QGZVFWFLSA-N 2 1 329.488 3.532 20 0 EHADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245719974 1123936375 /nfs/dbraw/zinc/93/63/75/1123936375.db2.gz OODGGWFHJOZVJP-YUMYIRISSA-N 2 1 344.543 3.959 20 0 EHADMP OC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCCC1 ZINC000245761869 1123948223 /nfs/dbraw/zinc/94/82/23/1123948223.db2.gz VSPIYZDHXFDVAE-MZADTFQBSA-N 2 1 342.527 3.857 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2n1C ZINC000246016508 1124000474 /nfs/dbraw/zinc/00/04/74/1124000474.db2.gz KYLZCFNISZKTRF-FGTMMUONSA-N 2 1 342.531 3.982 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000246081089 1124015445 /nfs/dbraw/zinc/01/54/45/1124015445.db2.gz FUKKSSNHYKOZQO-AEFFLSMTSA-N 2 1 334.504 3.694 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000246081089 1124015448 /nfs/dbraw/zinc/01/54/48/1124015448.db2.gz FUKKSSNHYKOZQO-AEFFLSMTSA-N 2 1 334.504 3.694 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)C12CCC2 ZINC000453122390 1129164523 /nfs/dbraw/zinc/16/45/23/1129164523.db2.gz MTKRDHAFQJXCJW-LSTHTHJFSA-N 2 1 328.500 3.759 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000246373924 1124096893 /nfs/dbraw/zinc/09/68/93/1124096893.db2.gz ASALVYHCDDFDJU-WOJBJXKFSA-N 2 1 345.531 3.520 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000246948045 1124569841 /nfs/dbraw/zinc/56/98/41/1124569841.db2.gz HZJFCFJLPISCJC-BMQTXXJKSA-N 2 1 330.516 3.679 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880986 1124628464 /nfs/dbraw/zinc/62/84/64/1124628464.db2.gz BPSLQXDMJCCRSN-FCGDIQPGSA-N 2 1 349.588 3.839 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880986 1124628466 /nfs/dbraw/zinc/62/84/66/1124628466.db2.gz BPSLQXDMJCCRSN-FCGDIQPGSA-N 2 1 349.588 3.839 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880986 1124628469 /nfs/dbraw/zinc/62/84/69/1124628469.db2.gz BPSLQXDMJCCRSN-FCGDIQPGSA-N 2 1 349.588 3.839 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@@H](C)C1 ZINC000248049373 1124637151 /nfs/dbraw/zinc/63/71/51/1124637151.db2.gz WATHOJFQXOGLTN-HKUYNNGSSA-N 2 1 336.545 3.505 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248742752 1124695262 /nfs/dbraw/zinc/69/52/62/1124695262.db2.gz RGFWSNZJQOBYFC-BBRMVZONSA-N 2 1 330.925 3.628 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248742752 1124695269 /nfs/dbraw/zinc/69/52/69/1124695269.db2.gz RGFWSNZJQOBYFC-BBRMVZONSA-N 2 1 330.925 3.628 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248897657 1124714853 /nfs/dbraw/zinc/71/48/53/1124714853.db2.gz VMZSYCHCSHEMAI-SJLPKXTDSA-N 2 1 336.495 3.677 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000249178440 1124743348 /nfs/dbraw/zinc/74/33/48/1124743348.db2.gz GRAFUDFCBUWCBZ-VQIMIIECSA-N 2 1 344.478 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000249178440 1124743357 /nfs/dbraw/zinc/74/33/57/1124743357.db2.gz GRAFUDFCBUWCBZ-VQIMIIECSA-N 2 1 344.478 3.740 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249292695 1124750954 /nfs/dbraw/zinc/75/09/54/1124750954.db2.gz QETUBKAVKGNJSB-KZNAEPCWSA-N 2 1 338.442 3.506 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770434 1125307282 /nfs/dbraw/zinc/30/72/82/1125307282.db2.gz SFBKIKGQEZXNBR-LJQANCHMSA-N 2 1 339.483 3.956 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770434 1125307286 /nfs/dbraw/zinc/30/72/86/1125307286.db2.gz SFBKIKGQEZXNBR-LJQANCHMSA-N 2 1 339.483 3.956 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770434 1125307289 /nfs/dbraw/zinc/30/72/89/1125307289.db2.gz SFBKIKGQEZXNBR-LJQANCHMSA-N 2 1 339.483 3.956 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093770434 1125307292 /nfs/dbraw/zinc/30/72/92/1125307292.db2.gz SFBKIKGQEZXNBR-LJQANCHMSA-N 2 1 339.483 3.956 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000543228907 1129356400 /nfs/dbraw/zinc/35/64/00/1129356400.db2.gz GCYIAQUFUQOYQL-MOPGFXCFSA-N 2 1 332.532 3.939 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3CC(c4ccccc4)C3)sc2C1 ZINC000466422482 1129437486 /nfs/dbraw/zinc/43/74/86/1129437486.db2.gz LMHKXKGMDZYXBW-UHFFFAOYSA-N 2 1 341.524 3.945 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3CC(c4ccccc4)C3)sc2C1 ZINC000466422482 1129437489 /nfs/dbraw/zinc/43/74/89/1129437489.db2.gz LMHKXKGMDZYXBW-UHFFFAOYSA-N 2 1 341.524 3.945 20 0 EHADMP CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000543395260 1129457625 /nfs/dbraw/zinc/45/76/25/1129457625.db2.gz UPUYHGXOAABVIX-KURKYZTESA-N 2 1 345.512 3.959 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC23CC3)cc1 ZINC000922696630 1129629683 /nfs/dbraw/zinc/62/96/83/1129629683.db2.gz NFNUCCLUEGUPGL-PWRODBHTSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC23CC3)cc1 ZINC000922696630 1129629686 /nfs/dbraw/zinc/62/96/86/1129629686.db2.gz NFNUCCLUEGUPGL-PWRODBHTSA-N 2 1 340.511 3.732 20 0 EHADMP Clc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000703878855 1130411310 /nfs/dbraw/zinc/41/13/10/1130411310.db2.gz MVBYTSCKCJFUQD-PWIZWCRZSA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000703878855 1130411313 /nfs/dbraw/zinc/41/13/13/1130411313.db2.gz MVBYTSCKCJFUQD-PWIZWCRZSA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000703878855 1130411318 /nfs/dbraw/zinc/41/13/18/1130411318.db2.gz MVBYTSCKCJFUQD-PWIZWCRZSA-N 2 1 341.886 3.735 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675749884 1130464935 /nfs/dbraw/zinc/46/49/35/1130464935.db2.gz CHVADIGADOVXNA-RBUKOAKNSA-N 3 1 343.559 3.738 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000675751913 1130464944 /nfs/dbraw/zinc/46/49/44/1130464944.db2.gz GICVILLEJITLCM-NSISKUIASA-N 2 1 343.515 3.744 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@@H](C)C1 ZINC000675743804 1130468836 /nfs/dbraw/zinc/46/88/36/1130468836.db2.gz VMGAQOJMPFYFSZ-LPHOPBHVSA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@@H](C)C1 ZINC000675743804 1130468841 /nfs/dbraw/zinc/46/88/41/1130468841.db2.gz VMGAQOJMPFYFSZ-LPHOPBHVSA-N 2 1 325.456 3.694 20 0 EHADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675883301 1130501396 /nfs/dbraw/zinc/50/13/96/1130501396.db2.gz ZKPHAYSSJLEZES-ILWGZMRPSA-N 2 1 342.527 3.631 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000536836673 1130594302 /nfs/dbraw/zinc/59/43/02/1130594302.db2.gz BHTCINWHMLPZIS-YHYVQYDKSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000536836673 1130594308 /nfs/dbraw/zinc/59/43/08/1130594308.db2.gz BHTCINWHMLPZIS-YHYVQYDKSA-N 2 1 341.543 3.806 20 0 EHADMP CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000169208600 1130637091 /nfs/dbraw/zinc/63/70/91/1130637091.db2.gz WMWQDKZJSVWFAC-HNNXBMFYSA-N 2 1 331.460 3.589 20 0 EHADMP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)CCc3c(F)cc(Cl)cc3F)C[C@H]2C1 ZINC001172583303 1131792681 /nfs/dbraw/zinc/79/26/81/1131792681.db2.gz HIXSXNAGNDEARV-MGPQQGTHSA-N 2 1 342.861 3.823 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172833252 1131857335 /nfs/dbraw/zinc/85/73/35/1131857335.db2.gz PWIJAHSIZYPWIM-HXUWFJFHSA-N 2 1 335.495 3.795 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206185487 1131936709 /nfs/dbraw/zinc/93/67/09/1131936709.db2.gz NYYYWCJCCISNBK-WOJBJXKFSA-N 2 1 342.458 3.835 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206185487 1131936717 /nfs/dbraw/zinc/93/67/17/1131936717.db2.gz NYYYWCJCCISNBK-WOJBJXKFSA-N 2 1 342.458 3.835 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001173111697 1131969824 /nfs/dbraw/zinc/96/98/24/1131969824.db2.gz KAXZXPJLOBPNSR-XVAXZDLZSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173111511 1131970443 /nfs/dbraw/zinc/97/04/43/1131970443.db2.gz GHCFBZKERUDABZ-QLOJAFMTSA-N 2 1 334.479 3.932 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173112225 1131970573 /nfs/dbraw/zinc/97/05/73/1131970573.db2.gz SXVHDDHOYQLAFB-AOCRQIFASA-N 2 1 338.536 3.693 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001173114020 1131971974 /nfs/dbraw/zinc/97/19/74/1131971974.db2.gz SHMUNFQAPBNXPC-MHJFOBGBSA-N 2 1 343.515 3.743 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173136135 1131977551 /nfs/dbraw/zinc/97/75/51/1131977551.db2.gz PGMWDPUIIPRZCD-KBAYOESNSA-N 2 1 341.524 3.501 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173136135 1131977558 /nfs/dbraw/zinc/97/75/58/1131977558.db2.gz PGMWDPUIIPRZCD-KBAYOESNSA-N 2 1 341.524 3.501 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855663 1131988954 /nfs/dbraw/zinc/98/89/54/1131988954.db2.gz VTGYSGSJGMBINK-IAGOWNOFSA-N 2 1 344.421 3.545 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855663 1131988962 /nfs/dbraw/zinc/98/89/62/1131988962.db2.gz VTGYSGSJGMBINK-IAGOWNOFSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855663 1131988969 /nfs/dbraw/zinc/98/89/69/1131988969.db2.gz VTGYSGSJGMBINK-IAGOWNOFSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000743855663 1131988975 /nfs/dbraw/zinc/98/89/75/1131988975.db2.gz VTGYSGSJGMBINK-IAGOWNOFSA-N 2 1 344.421 3.545 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846112 1131991478 /nfs/dbraw/zinc/99/14/78/1131991478.db2.gz BWXLNAAICKUSTJ-IRLDBZIGSA-N 2 1 344.543 3.925 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846112 1131991483 /nfs/dbraw/zinc/99/14/83/1131991483.db2.gz BWXLNAAICKUSTJ-IRLDBZIGSA-N 2 1 344.543 3.925 20 0 EHADMP CCc1ccc(C[C@@H](C)[N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173248328 1132017615 /nfs/dbraw/zinc/01/76/15/1132017615.db2.gz GBZXGCMSYDFOES-DUXKGJEZSA-N 2 1 344.543 3.931 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001173278705 1132039276 /nfs/dbraw/zinc/03/92/76/1132039276.db2.gz ICPPMHUVNNDACQ-ICSRJNTNSA-N 2 1 327.516 3.948 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000181705953 1132141022 /nfs/dbraw/zinc/14/10/22/1132141022.db2.gz NESOBIXIFPBNOT-FQEVSTJZSA-N 2 1 331.548 3.781 20 0 EHADMP CCC[N@@H+]1CCc2c(N)sc(Nc3cc[nH+]c4ccccc34)c2C1 ZINC001174038081 1132222918 /nfs/dbraw/zinc/22/29/18/1132222918.db2.gz MOKPHBUCMYWIQK-UHFFFAOYSA-N 2 1 338.480 3.812 20 0 EHADMP CCC[N@H+]1CCc2c(N)sc(Nc3cc[nH+]c4ccccc34)c2C1 ZINC001174038081 1132222924 /nfs/dbraw/zinc/22/29/24/1132222924.db2.gz MOKPHBUCMYWIQK-UHFFFAOYSA-N 2 1 338.480 3.812 20 0 EHADMP COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc2[nH+]ccn2c1 ZINC001174276567 1132310764 /nfs/dbraw/zinc/31/07/64/1132310764.db2.gz HRDWGCCQLGGRIS-UHFFFAOYSA-N 2 1 336.439 3.725 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000381145696 1132473124 /nfs/dbraw/zinc/47/31/24/1132473124.db2.gz VYPSVHMDRVZRDC-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)C(C)C ZINC000766384159 1132523867 /nfs/dbraw/zinc/52/38/67/1132523867.db2.gz HQDRNEIVLOLRLO-GOSISDBHSA-N 2 1 345.531 3.973 20 0 EHADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798002453 1132550570 /nfs/dbraw/zinc/55/05/70/1132550570.db2.gz HXWWVEMOFJURCR-BDXSIMOUSA-N 2 1 340.602 3.753 20 0 EHADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002453 1132550574 /nfs/dbraw/zinc/55/05/74/1132550574.db2.gz HXWWVEMOFJURCR-BDXSIMOUSA-N 2 1 340.602 3.753 20 0 EHADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205994695 1132594901 /nfs/dbraw/zinc/59/49/01/1132594901.db2.gz LWKPYOQGYQMNBA-ZIAGYGMSSA-N 2 1 325.294 3.564 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOc3cc(C(F)(F)F)ccc31)C2 ZINC001169116276 1132662202 /nfs/dbraw/zinc/66/22/02/1132662202.db2.gz PPAHQTVCQQUIJZ-AYDFFVQHSA-N 2 1 340.389 3.744 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOc3cc(C(F)(F)F)ccc31)C2 ZINC001169116276 1132662205 /nfs/dbraw/zinc/66/22/05/1132662205.db2.gz PPAHQTVCQQUIJZ-AYDFFVQHSA-N 2 1 340.389 3.744 20 0 EHADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169119025 1132663973 /nfs/dbraw/zinc/66/39/73/1132663973.db2.gz OXKKCBZKYXLSLB-HRMJIJJXSA-N 2 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169119025 1132663976 /nfs/dbraw/zinc/66/39/76/1132663976.db2.gz OXKKCBZKYXLSLB-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169119025 1132663980 /nfs/dbraw/zinc/66/39/80/1132663980.db2.gz OXKKCBZKYXLSLB-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169119025 1132663985 /nfs/dbraw/zinc/66/39/85/1132663985.db2.gz OXKKCBZKYXLSLB-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169119025 1132663989 /nfs/dbraw/zinc/66/39/89/1132663989.db2.gz OXKKCBZKYXLSLB-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169110536 1132671498 /nfs/dbraw/zinc/67/14/98/1132671498.db2.gz MGCFQMODYDFQOJ-REPLKXPHSA-N 2 1 348.918 3.603 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169142749 1132673870 /nfs/dbraw/zinc/67/38/70/1132673870.db2.gz VESVRCOCHYQVHQ-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169142749 1132673874 /nfs/dbraw/zinc/67/38/74/1132673874.db2.gz VESVRCOCHYQVHQ-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142749 1132673882 /nfs/dbraw/zinc/67/38/82/1132673882.db2.gz VESVRCOCHYQVHQ-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP CC1(C)C[C@@H](Nc2cc(N)cc(C(F)(F)F)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169143749 1132674971 /nfs/dbraw/zinc/67/49/71/1132674971.db2.gz QOEGZQSUHQEDCB-ABAIWWIYSA-N 2 1 330.398 3.638 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001169230355 1132702617 /nfs/dbraw/zinc/70/26/17/1132702617.db2.gz YZJFDARPWTUDFH-HNNXBMFYSA-N 2 1 328.378 3.646 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001169258190 1132710698 /nfs/dbraw/zinc/71/06/98/1132710698.db2.gz FMMXNVJKYBGUAF-OAHLLOKOSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001169258190 1132710702 /nfs/dbraw/zinc/71/07/02/1132710702.db2.gz FMMXNVJKYBGUAF-OAHLLOKOSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC(c3noc4ccc(F)cc43)CC2)CC1 ZINC001169258802 1132711398 /nfs/dbraw/zinc/71/13/98/1132711398.db2.gz SMGNBDWMZUFWOP-UHFFFAOYSA-N 2 1 331.435 3.631 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169274780 1132712899 /nfs/dbraw/zinc/71/28/99/1132712899.db2.gz IXDDYOLCBRHJRI-UHFFFAOYSA-N 2 1 346.515 3.866 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169274780 1132712905 /nfs/dbraw/zinc/71/29/05/1132712905.db2.gz IXDDYOLCBRHJRI-UHFFFAOYSA-N 2 1 346.515 3.866 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CCC[C@@H]1C[NH3+] ZINC001206013109 1132789345 /nfs/dbraw/zinc/78/93/45/1132789345.db2.gz PMIKOFNAORZYJO-NWDGAFQWSA-N 2 1 334.357 3.531 20 0 EHADMP CCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H](C)C(=O)OCC ZINC001169933577 1132901890 /nfs/dbraw/zinc/90/18/90/1132901890.db2.gz QHVUWPUCCMYMSQ-SFHVURJKSA-N 2 1 346.515 3.836 20 0 EHADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H](C)C(=O)OCC ZINC001169933577 1132901892 /nfs/dbraw/zinc/90/18/92/1132901892.db2.gz QHVUWPUCCMYMSQ-SFHVURJKSA-N 2 1 346.515 3.836 20 0 EHADMP C[N@H+]1C[C@]23C[NH+](CCSCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001177008228 1133022010 /nfs/dbraw/zinc/02/20/10/1133022010.db2.gz ICLXEWWZQIMMJB-BGYRXZFFSA-N 2 1 330.541 3.728 20 0 EHADMP C[NH+]1C[C@]23C[N@H+](CCSCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001177008228 1133022015 /nfs/dbraw/zinc/02/20/15/1133022015.db2.gz ICLXEWWZQIMMJB-BGYRXZFFSA-N 2 1 330.541 3.728 20 0 EHADMP C[NH+]1C[C@]23C[N@@H+](CCSCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001177008228 1133022022 /nfs/dbraw/zinc/02/20/22/1133022022.db2.gz ICLXEWWZQIMMJB-BGYRXZFFSA-N 2 1 330.541 3.728 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(Br)c2)CC1 ZINC001206296554 1133045409 /nfs/dbraw/zinc/04/54/09/1133045409.db2.gz UGIVQWBCQNKBIV-QGZVFWFLSA-N 2 1 339.321 3.833 20 0 EHADMP CCCn1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001177256216 1133046130 /nfs/dbraw/zinc/04/61/30/1133046130.db2.gz BMAMNZOQWPDTGT-SFHVURJKSA-N 2 1 340.515 3.815 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001177416338 1133063186 /nfs/dbraw/zinc/06/31/86/1133063186.db2.gz NOVQHJXHPWCKBM-SFHVURJKSA-N 2 1 340.515 3.701 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CNCc2ccccc2OC(F)(F)F)C1 ZINC001177742948 1133097948 /nfs/dbraw/zinc/09/79/48/1133097948.db2.gz JXQRQRRUKROHNE-CQSZACIVSA-N 2 1 330.394 3.795 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001177742948 1133097953 /nfs/dbraw/zinc/09/79/53/1133097953.db2.gz JXQRQRRUKROHNE-CQSZACIVSA-N 2 1 330.394 3.795 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001177742948 1133097958 /nfs/dbraw/zinc/09/79/58/1133097958.db2.gz JXQRQRRUKROHNE-CQSZACIVSA-N 2 1 330.394 3.795 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001177794860 1133103542 /nfs/dbraw/zinc/10/35/42/1133103542.db2.gz JRPDPHQKVRNACD-QGZVFWFLSA-N 2 1 328.504 3.812 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC001177794860 1133103544 /nfs/dbraw/zinc/10/35/44/1133103544.db2.gz JRPDPHQKVRNACD-QGZVFWFLSA-N 2 1 328.504 3.812 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1(C)C ZINC001177928653 1133116551 /nfs/dbraw/zinc/11/65/51/1133116551.db2.gz NXGAZOKJPJIBDI-GHTZIAJQSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)[NH+](CCCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC001177950470 1133120608 /nfs/dbraw/zinc/12/06/08/1133120608.db2.gz WLQGZKABMBPAID-CTNGQTDRSA-N 2 1 331.548 3.920 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC001178248540 1133145145 /nfs/dbraw/zinc/14/51/45/1133145145.db2.gz BNAZWIRNDSSVNO-INIZCTEOSA-N 2 1 326.431 3.746 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2occc2Br)CC1 ZINC000768926041 1133204874 /nfs/dbraw/zinc/20/48/74/1133204874.db2.gz ICHPTUPLFOZDAS-UHFFFAOYSA-N 2 1 329.282 3.594 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2occc2Br)CC1 ZINC000768926041 1133204878 /nfs/dbraw/zinc/20/48/78/1133204878.db2.gz ICHPTUPLFOZDAS-UHFFFAOYSA-N 2 1 329.282 3.594 20 0 EHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CCCC[NH+]3CCCC3)c2C1 ZINC000769030583 1133216597 /nfs/dbraw/zinc/21/65/97/1133216597.db2.gz VYPUGTQBEJRAEH-UHFFFAOYSA-N 2 1 343.515 3.863 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c2c(n1)CCCC2 ZINC001179015781 1133221742 /nfs/dbraw/zinc/22/17/42/1133221742.db2.gz MQGSKAMXNOPAJX-IRLDBZIGSA-N 2 1 349.522 3.704 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001179160190 1133233003 /nfs/dbraw/zinc/23/30/03/1133233003.db2.gz VADLOWXMLBSEBZ-IBGZPJMESA-N 2 1 340.515 3.619 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001179160190 1133233009 /nfs/dbraw/zinc/23/30/09/1133233009.db2.gz VADLOWXMLBSEBZ-IBGZPJMESA-N 2 1 340.515 3.619 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OCCC(C)C ZINC001179159500 1133233790 /nfs/dbraw/zinc/23/37/90/1133233790.db2.gz MTCYDSOVBLSNJW-IBGZPJMESA-N 2 1 348.531 3.942 20 0 EHADMP Cc1c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)sc2nc(C)nc(C)c12 ZINC000769483395 1133289294 /nfs/dbraw/zinc/28/92/94/1133289294.db2.gz PWAYOEGEJMAJTK-INIZCTEOSA-N 2 1 346.544 3.923 20 0 EHADMP Cc1c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)sc2nc(C)nc(C)c12 ZINC000769483395 1133289298 /nfs/dbraw/zinc/28/92/98/1133289298.db2.gz PWAYOEGEJMAJTK-INIZCTEOSA-N 2 1 346.544 3.923 20 0 EHADMP Cc1c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)sc2nc(C)nc(C)c12 ZINC000769483395 1133289301 /nfs/dbraw/zinc/28/93/01/1133289301.db2.gz PWAYOEGEJMAJTK-INIZCTEOSA-N 2 1 346.544 3.923 20 0 EHADMP Cc1c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)sc2nc(C)nc(C)c12 ZINC000769483395 1133289305 /nfs/dbraw/zinc/28/93/05/1133289305.db2.gz PWAYOEGEJMAJTK-INIZCTEOSA-N 2 1 346.544 3.923 20 0 EHADMP COc1c(C)c[nH+]c(CN(CC[NH+](C)C)CC2CCCCC2)c1C ZINC001181471806 1133491727 /nfs/dbraw/zinc/49/17/27/1133491727.db2.gz IYYONEAHTVXMKT-UHFFFAOYSA-N 2 1 333.520 3.651 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534025 1133498447 /nfs/dbraw/zinc/49/84/47/1133498447.db2.gz DXWWFGIHJBDWHP-ICSRJNTNSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534025 1133498449 /nfs/dbraw/zinc/49/84/49/1133498449.db2.gz DXWWFGIHJBDWHP-ICSRJNTNSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534025 1133498453 /nfs/dbraw/zinc/49/84/53/1133498453.db2.gz DXWWFGIHJBDWHP-ICSRJNTNSA-N 2 1 337.467 3.790 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000771474760 1133560129 /nfs/dbraw/zinc/56/01/29/1133560129.db2.gz FWVHSGVAWBJISM-OAQYLSRUSA-N 2 1 348.506 3.693 20 0 EHADMP CC[N@H+](CCC[NH+](C)C)Cc1c(-c2ccccc2)nc2sccn12 ZINC000786867154 1133914032 /nfs/dbraw/zinc/91/40/32/1133914032.db2.gz SDCCWERGJCFVJH-UHFFFAOYSA-N 2 1 342.512 3.836 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(-c2ccccc2)nc2sccn12 ZINC000786867154 1133914037 /nfs/dbraw/zinc/91/40/37/1133914037.db2.gz SDCCWERGJCFVJH-UHFFFAOYSA-N 2 1 342.512 3.836 20 0 EHADMP C[C@@H]1CCCC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001184364459 1133928032 /nfs/dbraw/zinc/92/80/32/1133928032.db2.gz SUOMNCJQTLJOOK-VQIMIIECSA-N 2 1 338.499 3.977 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000746675066 1133992225 /nfs/dbraw/zinc/99/22/25/1133992225.db2.gz ZLJRQSKCZDEOIM-BBTUJRGHSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000746675066 1133992229 /nfs/dbraw/zinc/99/22/29/1133992229.db2.gz ZLJRQSKCZDEOIM-BBTUJRGHSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000746675066 1133992237 /nfs/dbraw/zinc/99/22/37/1133992237.db2.gz ZLJRQSKCZDEOIM-BBTUJRGHSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000746675066 1133992241 /nfs/dbraw/zinc/99/22/41/1133992241.db2.gz ZLJRQSKCZDEOIM-BBTUJRGHSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000746675066 1133992245 /nfs/dbraw/zinc/99/22/45/1133992245.db2.gz ZLJRQSKCZDEOIM-BBTUJRGHSA-N 2 1 348.506 3.754 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000774904782 1134114593 /nfs/dbraw/zinc/11/45/93/1134114593.db2.gz WQEMSTBLEVFBDW-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000774904782 1134114595 /nfs/dbraw/zinc/11/45/95/1134114595.db2.gz WQEMSTBLEVFBDW-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000774904782 1134114599 /nfs/dbraw/zinc/11/45/99/1134114599.db2.gz WQEMSTBLEVFBDW-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H]1CC[C@@H](C)C1)CC2 ZINC001170135230 1134415443 /nfs/dbraw/zinc/41/54/43/1134415443.db2.gz GGZINCYIOGPXRT-QAPCUYQASA-N 2 1 331.504 3.910 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001170140235 1134434021 /nfs/dbraw/zinc/43/40/21/1134434021.db2.gz WUSJUPBIWKIGSG-KZNAEPCWSA-N 2 1 332.488 3.524 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000791472624 1134561164 /nfs/dbraw/zinc/56/11/64/1134561164.db2.gz MWCSVXAFVHFKSU-YUXAGFNASA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000791472624 1134561170 /nfs/dbraw/zinc/56/11/70/1134561170.db2.gz MWCSVXAFVHFKSU-YUXAGFNASA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000791472624 1134561173 /nfs/dbraw/zinc/56/11/73/1134561173.db2.gz MWCSVXAFVHFKSU-YUXAGFNASA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000791472624 1134561179 /nfs/dbraw/zinc/56/11/79/1134561179.db2.gz MWCSVXAFVHFKSU-YUXAGFNASA-N 2 1 338.495 3.705 20 0 EHADMP CC[C@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC001170194445 1134710718 /nfs/dbraw/zinc/71/07/18/1134710718.db2.gz XLQJKQWEAHQSMV-PMXSJFBMSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793548488 1134954452 /nfs/dbraw/zinc/95/44/52/1134954452.db2.gz MKBNIICUHGYAAD-HBFSDRIKSA-N 2 1 340.515 3.680 20 0 EHADMP C[C@H]([NH2+][C@H](CCO)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509082 1134975166 /nfs/dbraw/zinc/97/51/66/1134975166.db2.gz HMNKRDZBVDXIOA-QXAKKESOSA-N 2 1 344.524 3.672 20 0 EHADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Br ZINC001205638428 1135158322 /nfs/dbraw/zinc/15/83/22/1135158322.db2.gz NVVLSVHVSFPXFW-AAEUAGOBSA-N 2 1 343.284 3.703 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205652416 1135228253 /nfs/dbraw/zinc/22/82/53/1135228253.db2.gz PNAWITCVTSQWSC-ZYHUDNBSSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205652416 1135228257 /nfs/dbraw/zinc/22/82/57/1135228257.db2.gz PNAWITCVTSQWSC-ZYHUDNBSSA-N 2 1 335.801 3.561 20 0 EHADMP CC(C)CCc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC001195534459 1135437566 /nfs/dbraw/zinc/43/75/66/1135437566.db2.gz DJGOKXJPWDJUPT-UHFFFAOYSA-N 2 1 344.528 3.839 20 0 EHADMP CC(C)CCc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC001195534459 1135437570 /nfs/dbraw/zinc/43/75/70/1135437570.db2.gz DJGOKXJPWDJUPT-UHFFFAOYSA-N 2 1 344.528 3.839 20 0 EHADMP Cc1nccn1CCC[N@H+]1CCc2cc(C)cc(Br)c2C1 ZINC001196869566 1135624996 /nfs/dbraw/zinc/62/49/96/1135624996.db2.gz MTOUIWQRIUMJDQ-UHFFFAOYSA-N 2 1 348.288 3.711 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@H](O)c2ccccc2)C1 ZINC000808727054 1135723753 /nfs/dbraw/zinc/72/37/53/1135723753.db2.gz CFLDRNVLVZQLIF-ZVDOUQERSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727054 1135723756 /nfs/dbraw/zinc/72/37/56/1135723756.db2.gz CFLDRNVLVZQLIF-ZVDOUQERSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727054 1135723758 /nfs/dbraw/zinc/72/37/58/1135723758.db2.gz CFLDRNVLVZQLIF-ZVDOUQERSA-N 2 1 330.516 3.697 20 0 EHADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808788322 1135738057 /nfs/dbraw/zinc/73/80/57/1135738057.db2.gz LBOATKJOQSOEOC-FDFHNCONSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808788322 1135738062 /nfs/dbraw/zinc/73/80/62/1135738062.db2.gz LBOATKJOQSOEOC-FDFHNCONSA-N 2 1 338.495 3.925 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000809767471 1135879860 /nfs/dbraw/zinc/87/98/60/1135879860.db2.gz MGPHJBIBYUVEHH-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000809767471 1135879864 /nfs/dbraw/zinc/87/98/64/1135879864.db2.gz MGPHJBIBYUVEHH-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767471 1135879867 /nfs/dbraw/zinc/87/98/67/1135879867.db2.gz MGPHJBIBYUVEHH-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767471 1135879871 /nfs/dbraw/zinc/87/98/71/1135879871.db2.gz MGPHJBIBYUVEHH-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000809738643 1135882580 /nfs/dbraw/zinc/88/25/80/1135882580.db2.gz CYBNCYYDULTQJJ-UHFFFAOYSA-N 2 1 335.451 3.634 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000776005905 1135918683 /nfs/dbraw/zinc/91/86/83/1135918683.db2.gz FEVCSTATJPBPKR-OXJNMPFZSA-N 2 1 327.472 3.585 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000776005909 1135918724 /nfs/dbraw/zinc/91/87/24/1135918724.db2.gz FEVCSTATJPBPKR-UZLBHIALSA-N 2 1 327.472 3.585 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)c2C1 ZINC000810332321 1135955171 /nfs/dbraw/zinc/95/51/71/1135955171.db2.gz NINNXVQZRQOKCZ-FQEVSTJZSA-N 2 1 347.478 3.563 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)c2C1 ZINC000810332321 1135955173 /nfs/dbraw/zinc/95/51/73/1135955173.db2.gz NINNXVQZRQOKCZ-FQEVSTJZSA-N 2 1 347.478 3.563 20 0 EHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)c2C1 ZINC000810332321 1135955174 /nfs/dbraw/zinc/95/51/74/1135955174.db2.gz NINNXVQZRQOKCZ-FQEVSTJZSA-N 2 1 347.478 3.563 20 0 EHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)c2C1 ZINC000810332321 1135955176 /nfs/dbraw/zinc/95/51/76/1135955176.db2.gz NINNXVQZRQOKCZ-FQEVSTJZSA-N 2 1 347.478 3.563 20 0 EHADMP CC[C@@H](C)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201508164 1136030108 /nfs/dbraw/zinc/03/01/08/1136030108.db2.gz CAIUOOOIPXUOCW-MRXNPFEDSA-N 2 1 327.472 3.711 20 0 EHADMP CC[C@@H](C)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201508164 1136030113 /nfs/dbraw/zinc/03/01/13/1136030113.db2.gz CAIUOOOIPXUOCW-MRXNPFEDSA-N 2 1 327.472 3.711 20 0 EHADMP CC[C@@H](C)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001201508164 1136030116 /nfs/dbraw/zinc/03/01/16/1136030116.db2.gz CAIUOOOIPXUOCW-MRXNPFEDSA-N 2 1 327.472 3.711 20 0 EHADMP CC[C@@H](C)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001201508164 1136030120 /nfs/dbraw/zinc/03/01/20/1136030120.db2.gz CAIUOOOIPXUOCW-MRXNPFEDSA-N 2 1 327.472 3.711 20 0 EHADMP CCC[C@@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201541768 1136034675 /nfs/dbraw/zinc/03/46/75/1136034675.db2.gz GCKRXAQVXKRXAR-QZTJIDSGSA-N 2 1 334.504 3.771 20 0 EHADMP CCC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201544605 1136034847 /nfs/dbraw/zinc/03/48/47/1136034847.db2.gz QVJRQJMFSVOGMT-IBGZPJMESA-N 2 1 330.516 3.790 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001201572408 1136042304 /nfs/dbraw/zinc/04/23/04/1136042304.db2.gz KDXGWFNYAUQNRQ-QZTJIDSGSA-N 2 1 338.536 3.552 20 0 EHADMP CCCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201746706 1136058270 /nfs/dbraw/zinc/05/82/70/1136058270.db2.gz OGZLWZQQVMNRPK-FQEVSTJZSA-N 2 1 345.531 3.717 20 0 EHADMP COc1ccc2c(NCc3cccnc3-n3cc[nH+]c3C)cc[nH+]c2c1 ZINC000811826003 1136146580 /nfs/dbraw/zinc/14/65/80/1136146580.db2.gz RFZMARJGFZNWQJ-UHFFFAOYSA-N 2 1 345.406 3.745 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1SCCS1 ZINC000850569420 1136288597 /nfs/dbraw/zinc/28/85/97/1136288597.db2.gz CZWGCSJRUGCAKN-WBVHZDCISA-N 2 1 336.570 3.683 20 0 EHADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000851799500 1136408088 /nfs/dbraw/zinc/40/80/88/1136408088.db2.gz RZNGHGSTLZXOJD-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000851799500 1136408089 /nfs/dbraw/zinc/40/80/89/1136408089.db2.gz RZNGHGSTLZXOJD-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000851799500 1136408092 /nfs/dbraw/zinc/40/80/92/1136408092.db2.gz RZNGHGSTLZXOJD-NJDAHSKKSA-N 2 1 328.500 3.542 20 0 EHADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc2ccccc21 ZINC000815054398 1136540824 /nfs/dbraw/zinc/54/08/24/1136540824.db2.gz JVNKETPNVTZUGQ-AVRDEDQJSA-N 2 1 338.495 3.681 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815056058 1136541328 /nfs/dbraw/zinc/54/13/28/1136541328.db2.gz ZQHZVZWKFVKYNY-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815056058 1136541330 /nfs/dbraw/zinc/54/13/30/1136541330.db2.gz ZQHZVZWKFVKYNY-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170854374 1136775230 /nfs/dbraw/zinc/77/52/30/1136775230.db2.gz PEKJWGPJFHOJRK-JCYILVPMSA-N 2 1 337.305 3.508 20 0 EHADMP CC[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000817274371 1136793139 /nfs/dbraw/zinc/79/31/39/1136793139.db2.gz BJWDRXXPJOCVOS-JOCHJYFZSA-N 2 1 338.495 3.934 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(C)c3)C2)ccn1 ZINC000856548085 1136793708 /nfs/dbraw/zinc/79/37/08/1136793708.db2.gz GRQXEBFYLUNBPF-IBGZPJMESA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3csc(C)c3)C2)ccn1 ZINC000856548085 1136793712 /nfs/dbraw/zinc/79/37/12/1136793712.db2.gz GRQXEBFYLUNBPF-IBGZPJMESA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3csc(C)c3)C2)ccn1 ZINC000856548085 1136793716 /nfs/dbraw/zinc/79/37/16/1136793716.db2.gz GRQXEBFYLUNBPF-IBGZPJMESA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)ccc1OC ZINC000817966472 1136853365 /nfs/dbraw/zinc/85/33/65/1136853365.db2.gz OLTDHRIJRVFKKK-DYESRHJHSA-N 2 1 347.547 3.577 20 0 EHADMP CC(C)n1cncc1CNc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000818195309 1136865161 /nfs/dbraw/zinc/86/51/61/1136865161.db2.gz STYKBWZSORPVBS-QGZVFWFLSA-N 2 1 342.487 3.797 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(F)c2)[C@H]1c1cccs1 ZINC000819101401 1136908875 /nfs/dbraw/zinc/90/88/75/1136908875.db2.gz SWNCLKQAZIEXBX-AYBZRNKSSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(F)c2)[C@H]1c1cccs1 ZINC000819101401 1136908878 /nfs/dbraw/zinc/90/88/78/1136908878.db2.gz SWNCLKQAZIEXBX-AYBZRNKSSA-N 2 1 348.487 3.593 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000819126043 1136916896 /nfs/dbraw/zinc/91/68/96/1136916896.db2.gz NQUIMOGPNCCGNO-QGZVFWFLSA-N 2 1 330.875 3.611 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccn1 ZINC000858194463 1136948809 /nfs/dbraw/zinc/94/88/09/1136948809.db2.gz GFBPLYMCUAAEQX-LJQANCHMSA-N 2 1 339.458 3.613 20 0 EHADMP Cc1cc(C)c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c(C)n1 ZINC001136700093 1137094682 /nfs/dbraw/zinc/09/46/82/1137094682.db2.gz XPRGJAFQERGENG-UHFFFAOYSA-N 2 1 339.483 3.777 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1 ZINC000824023256 1137123254 /nfs/dbraw/zinc/12/32/54/1137123254.db2.gz NAIBAVNSZHMNGW-CQSZACIVSA-N 2 1 335.455 3.642 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862283584 1137137046 /nfs/dbraw/zinc/13/70/46/1137137046.db2.gz LDXLSOSHTWYEMR-KXBFYZLASA-N 2 1 327.447 3.529 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862283584 1137137047 /nfs/dbraw/zinc/13/70/47/1137137047.db2.gz LDXLSOSHTWYEMR-KXBFYZLASA-N 2 1 327.447 3.529 20 0 EHADMP Cc1c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862299619 1137137672 /nfs/dbraw/zinc/13/76/72/1137137672.db2.gz DRQAKKGBXPKPGQ-QFBILLFUSA-N 2 1 327.447 3.529 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000429551051 1137165122 /nfs/dbraw/zinc/16/51/22/1137165122.db2.gz UFXLHGDXPDVAQL-INIZCTEOSA-N 2 1 344.421 3.890 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246546882 1137249586 /nfs/dbraw/zinc/24/95/86/1137249586.db2.gz AYLBOPOBKUKQIA-XJKSGUPXSA-N 2 1 325.294 3.583 20 0 EHADMP C[N@H+](Cc1ccc2cc[nH]c2n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001144186085 1137250795 /nfs/dbraw/zinc/25/07/95/1137250795.db2.gz PEWWSJZTFZKTJD-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP CCc1noc(C)c1[C@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794826999 1137267860 /nfs/dbraw/zinc/26/78/60/1137267860.db2.gz GQFXOLABSPRDEB-MAUKXSAKSA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794826999 1137267862 /nfs/dbraw/zinc/26/78/62/1137267862.db2.gz GQFXOLABSPRDEB-MAUKXSAKSA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794826999 1137267863 /nfs/dbraw/zinc/26/78/63/1137267863.db2.gz GQFXOLABSPRDEB-MAUKXSAKSA-N 2 1 327.472 3.718 20 0 EHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171173154 1137284274 /nfs/dbraw/zinc/28/42/74/1137284274.db2.gz WNZIMVROUZMBAF-OWCLPIDISA-N 2 1 339.310 3.734 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171173154 1137284275 /nfs/dbraw/zinc/28/42/75/1137284275.db2.gz WNZIMVROUZMBAF-OWCLPIDISA-N 2 1 339.310 3.734 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171173154 1137284276 /nfs/dbraw/zinc/28/42/76/1137284276.db2.gz WNZIMVROUZMBAF-OWCLPIDISA-N 2 1 339.310 3.734 20 0 EHADMP CC(C)([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000865743990 1137308102 /nfs/dbraw/zinc/30/81/02/1137308102.db2.gz LOQDSILCYABZFT-HXUWFJFHSA-N 2 1 330.516 3.631 20 0 EHADMP COc1cc(OC)c(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000845969821 1137321859 /nfs/dbraw/zinc/32/18/59/1137321859.db2.gz GQWIFGMWCXCPGR-UHFFFAOYSA-N 2 1 346.446 3.537 20 0 EHADMP COc1cc(OC)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000845969821 1137321861 /nfs/dbraw/zinc/32/18/61/1137321861.db2.gz GQWIFGMWCXCPGR-UHFFFAOYSA-N 2 1 346.446 3.537 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144737316 1137340929 /nfs/dbraw/zinc/34/09/29/1137340929.db2.gz BUMKLYLAUXMBNL-UHFFFAOYSA-N 2 1 338.480 3.739 20 0 EHADMP Cc1cccc([C@H](O)C[N@@H+](CC[C@H]2CC[NH2+]C2)Cc2ccccc2)c1 ZINC000846222328 1137342209 /nfs/dbraw/zinc/34/22/09/1137342209.db2.gz MMRHJNZWIZVTOO-DENIHFKCSA-N 2 1 338.495 3.530 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000866353138 1137348528 /nfs/dbraw/zinc/34/85/28/1137348528.db2.gz PBFPHLPTCAKKRR-UGKGYDQZSA-N 2 1 337.511 3.905 20 0 EHADMP COc1ccc(-c2cnc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866705894 1137375022 /nfs/dbraw/zinc/37/50/22/1137375022.db2.gz JEZBGGIQHVZKRS-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccc(-c2cnc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866705894 1137375023 /nfs/dbraw/zinc/37/50/23/1137375023.db2.gz JEZBGGIQHVZKRS-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP Fc1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000121723204 1137383234 /nfs/dbraw/zinc/38/32/34/1137383234.db2.gz RNBVDQUISXTGJA-UHFFFAOYSA-N 2 1 326.459 3.665 20 0 EHADMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246839903 1137389321 /nfs/dbraw/zinc/38/93/21/1137389321.db2.gz KTILCLMUYJMDRA-HOTGVXAUSA-N 2 1 325.294 3.802 20 0 EHADMP C([NH+]1CCCC2(CCC2)C1)C1(C[N@H+]2CCCC3(CCC3)C2)COC1 ZINC000348168583 1137449773 /nfs/dbraw/zinc/44/97/73/1137449773.db2.gz NFZZBMJMRRQJKB-UHFFFAOYSA-N 2 1 332.532 3.535 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000348190238 1137452249 /nfs/dbraw/zinc/45/22/49/1137452249.db2.gz ULFOMRILOJPQCX-FQEVSTJZSA-N 2 1 341.499 3.935 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)cc1 ZINC000348190238 1137452250 /nfs/dbraw/zinc/45/22/50/1137452250.db2.gz ULFOMRILOJPQCX-FQEVSTJZSA-N 2 1 341.499 3.935 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc1 ZINC000773140989 1137468915 /nfs/dbraw/zinc/46/89/15/1137468915.db2.gz WJDNXJRWCWGLCW-GUDVDZBRSA-N 2 1 348.581 3.620 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000715449240 1137476624 /nfs/dbraw/zinc/47/66/24/1137476624.db2.gz BVUWAHHIXQZLHM-DBOLQNLKSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000715449240 1137476625 /nfs/dbraw/zinc/47/66/25/1137476625.db2.gz BVUWAHHIXQZLHM-DBOLQNLKSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000715449251 1137476772 /nfs/dbraw/zinc/47/67/72/1137476772.db2.gz BVUWAHHIXQZLHM-QYRPDUKASA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000715449251 1137476773 /nfs/dbraw/zinc/47/67/73/1137476773.db2.gz BVUWAHHIXQZLHM-QYRPDUKASA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000716619613 1137487994 /nfs/dbraw/zinc/48/79/94/1137487994.db2.gz GDXPABBADIDLFZ-MLHLJQGRSA-N 2 1 328.500 3.585 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716696593 1137488737 /nfs/dbraw/zinc/48/87/37/1137488737.db2.gz CUDJJXXHUXPSEM-OTWHNJEPSA-N 2 1 341.524 3.903 20 0 EHADMP Fc1cc2c(cc1F)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001171465425 1137489906 /nfs/dbraw/zinc/48/99/06/1137489906.db2.gz JOOOMXGFNZXENI-IAGOWNOFSA-N 2 1 334.454 3.819 20 0 EHADMP Fc1cc2c(cc1F)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001171465425 1137489907 /nfs/dbraw/zinc/48/99/07/1137489907.db2.gz JOOOMXGFNZXENI-IAGOWNOFSA-N 2 1 334.454 3.819 20 0 EHADMP CC(=O)Oc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000123185140 1137497498 /nfs/dbraw/zinc/49/74/98/1137497498.db2.gz CCWFGMMHGLWHLV-YLJYHZDGSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000123185140 1137497499 /nfs/dbraw/zinc/49/74/99/1137497499.db2.gz CCWFGMMHGLWHLV-YLJYHZDGSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000123185140 1137497500 /nfs/dbraw/zinc/49/75/00/1137497500.db2.gz CCWFGMMHGLWHLV-YLJYHZDGSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000123185140 1137497501 /nfs/dbraw/zinc/49/75/01/1137497501.db2.gz CCWFGMMHGLWHLV-YLJYHZDGSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000123185140 1137497502 /nfs/dbraw/zinc/49/75/02/1137497502.db2.gz CCWFGMMHGLWHLV-YLJYHZDGSA-N 2 1 344.499 3.698 20 0 EHADMP COc1cncc([C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C2CC2)c1 ZINC001171629177 1137499871 /nfs/dbraw/zinc/49/98/71/1137499871.db2.gz OSMXARJRZJDKNC-SFHVURJKSA-N 2 1 331.504 3.782 20 0 EHADMP Cc1cccn2c([C@H](C)[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cnc12 ZINC001171626065 1137501487 /nfs/dbraw/zinc/50/14/87/1137501487.db2.gz UZESKFDUCLHDGE-HNNXBMFYSA-N 2 1 328.504 3.945 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncc(C(F)(F)F)c2)CC1(C)C ZINC001171623969 1137501493 /nfs/dbraw/zinc/50/14/93/1137501493.db2.gz JWXCZTFBYZRSIB-UHFFFAOYSA-N 2 1 329.410 3.841 20 0 EHADMP C[C@H]1C[C@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725225 1137506033 /nfs/dbraw/zinc/50/60/33/1137506033.db2.gz IAJXRBHQUOTXCA-BBRMVZONSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]1C[C@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725225 1137506034 /nfs/dbraw/zinc/50/60/34/1137506034.db2.gz IAJXRBHQUOTXCA-BBRMVZONSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@H](n2nc(-c3ccccc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724802 1137506067 /nfs/dbraw/zinc/50/60/67/1137506067.db2.gz BHYXZOSOHRJEED-UTKZUKDTSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727272 1137506795 /nfs/dbraw/zinc/50/67/95/1137506795.db2.gz BELKSRDOBQROKU-SJLPKXTDSA-N 2 1 347.462 3.618 20 0 EHADMP C[C@@H]1C[C@@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171727272 1137506796 /nfs/dbraw/zinc/50/67/96/1137506796.db2.gz BELKSRDOBQROKU-SJLPKXTDSA-N 2 1 347.462 3.618 20 0 EHADMP C[C@H]1C[C@@H](N2CCC([NH3+])(CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171740694 1137511083 /nfs/dbraw/zinc/51/10/83/1137511083.db2.gz TXPLPVHWHVCCRB-GHTZIAJQSA-N 2 1 341.543 3.633 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963882 1137519978 /nfs/dbraw/zinc/51/99/78/1137519978.db2.gz FQSCCCWATNNAMT-LEWJYISDSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963882 1137519980 /nfs/dbraw/zinc/51/99/80/1137519980.db2.gz FQSCCCWATNNAMT-LEWJYISDSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963882 1137519981 /nfs/dbraw/zinc/51/99/81/1137519981.db2.gz FQSCCCWATNNAMT-LEWJYISDSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963882 1137519982 /nfs/dbraw/zinc/51/99/82/1137519982.db2.gz FQSCCCWATNNAMT-LEWJYISDSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963882 1137519984 /nfs/dbraw/zinc/51/99/84/1137519984.db2.gz FQSCCCWATNNAMT-LEWJYISDSA-N 2 1 343.559 3.751 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC001171965641 1137520285 /nfs/dbraw/zinc/52/02/85/1137520285.db2.gz PVQVEQQJGUQUGK-KRWDZBQOSA-N 2 1 329.513 3.718 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967505 1137520611 /nfs/dbraw/zinc/52/06/11/1137520611.db2.gz ANGJQABVFMCXHQ-WOJBJXKFSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967505 1137520612 /nfs/dbraw/zinc/52/06/12/1137520612.db2.gz ANGJQABVFMCXHQ-WOJBJXKFSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967505 1137520613 /nfs/dbraw/zinc/52/06/13/1137520613.db2.gz ANGJQABVFMCXHQ-WOJBJXKFSA-N 2 1 329.532 3.502 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171967229 1137520815 /nfs/dbraw/zinc/52/08/15/1137520815.db2.gz YJDDRDVDSMRCAO-RTWAWAEBSA-N 2 1 338.495 3.753 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974129 1137524900 /nfs/dbraw/zinc/52/49/00/1137524900.db2.gz APVLHYBKJNFJAW-LJQANCHMSA-N 2 1 331.548 3.607 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974129 1137524901 /nfs/dbraw/zinc/52/49/01/1137524901.db2.gz APVLHYBKJNFJAW-LJQANCHMSA-N 3 1 331.548 3.607 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974129 1137524902 /nfs/dbraw/zinc/52/49/02/1137524902.db2.gz APVLHYBKJNFJAW-LJQANCHMSA-N 3 1 331.548 3.607 20 0 EHADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@H](N[C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171977047 1137525598 /nfs/dbraw/zinc/52/55/98/1137525598.db2.gz WLWZZURFYRJZIF-GFOJFJKKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171977047 1137525599 /nfs/dbraw/zinc/52/55/99/1137525599.db2.gz WLWZZURFYRJZIF-GFOJFJKKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171977047 1137525601 /nfs/dbraw/zinc/52/56/01/1137525601.db2.gz WLWZZURFYRJZIF-GFOJFJKKSA-N 2 1 341.543 3.502 20 0 EHADMP CC1(C)C[C@@H](N2CC[NH+]3CCCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979248 1137525862 /nfs/dbraw/zinc/52/58/62/1137525862.db2.gz ABSGEICKDZTJNM-SFTDATJTSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CC[N@@H+]3CCCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979248 1137525864 /nfs/dbraw/zinc/52/58/64/1137525864.db2.gz ABSGEICKDZTJNM-SFTDATJTSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CC[N@H+]3CCCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979248 1137525865 /nfs/dbraw/zinc/52/58/65/1137525865.db2.gz ABSGEICKDZTJNM-SFTDATJTSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979160 1137525945 /nfs/dbraw/zinc/52/59/45/1137525945.db2.gz CSCIOTCLAXCWNO-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979160 1137525947 /nfs/dbraw/zinc/52/59/47/1137525947.db2.gz CSCIOTCLAXCWNO-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979160 1137525948 /nfs/dbraw/zinc/52/59/48/1137525948.db2.gz CSCIOTCLAXCWNO-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H](n2c(C[NH3+])nc3cnccc32)CC[N@H+]1Cc1ccccc1 ZINC001171977730 1137525973 /nfs/dbraw/zinc/52/59/73/1137525973.db2.gz GOHHCMGXUOYAOU-QGZVFWFLSA-N 2 1 349.482 3.506 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@](F)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977992 1137526048 /nfs/dbraw/zinc/52/60/48/1137526048.db2.gz VPTSVDCSQXWWHL-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977992 1137526050 /nfs/dbraw/zinc/52/60/50/1137526050.db2.gz VPTSVDCSQXWWHL-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977992 1137526051 /nfs/dbraw/zinc/52/60/51/1137526051.db2.gz VPTSVDCSQXWWHL-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP C[N@H+]1CCC[C@H]1CCN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171982648 1137526713 /nfs/dbraw/zinc/52/67/13/1137526713.db2.gz JGWCQSADZHSNOC-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982648 1137526714 /nfs/dbraw/zinc/52/67/14/1137526714.db2.gz JGWCQSADZHSNOC-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982648 1137526716 /nfs/dbraw/zinc/52/67/16/1137526716.db2.gz JGWCQSADZHSNOC-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH2+]Cc1c(C)nn([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1C ZINC001171983849 1137527131 /nfs/dbraw/zinc/52/71/31/1137527131.db2.gz AVXNRZVGKCWCHG-IBGZPJMESA-N 2 1 340.515 3.835 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084602 1137531530 /nfs/dbraw/zinc/53/15/30/1137531530.db2.gz YZQIYSPROWWBSF-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084602 1137531532 /nfs/dbraw/zinc/53/15/32/1137531532.db2.gz YZQIYSPROWWBSF-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084602 1137531533 /nfs/dbraw/zinc/53/15/33/1137531533.db2.gz YZQIYSPROWWBSF-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@]24CCOC4)C3)cc1 ZINC001172084602 1137531535 /nfs/dbraw/zinc/53/15/35/1137531535.db2.gz YZQIYSPROWWBSF-CLAROIROSA-N 2 1 340.511 3.827 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC001172101657 1137532031 /nfs/dbraw/zinc/53/20/31/1137532031.db2.gz HFGROSDUFCQHME-MUJYYYPQSA-N 2 1 330.369 3.949 20 0 EHADMP CCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC001172063600 1137533165 /nfs/dbraw/zinc/53/31/65/1137533165.db2.gz CCJSQFMZPHGSOW-ACDBMABISA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@]24CCCOC4)C3)cc1 ZINC001172067526 1137533299 /nfs/dbraw/zinc/53/32/99/1137533299.db2.gz GDXPGGYTACUJEW-YHINDDMVSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2C[C@@]24CCCOC4)C3)cc1 ZINC001172067523 1137533309 /nfs/dbraw/zinc/53/33/09/1137533309.db2.gz GDXPGGYTACUJEW-LILSUDLASA-N 2 1 340.511 3.731 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126570 1137534994 /nfs/dbraw/zinc/53/49/94/1137534994.db2.gz WZIXVFJLLLHPSA-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126570 1137534996 /nfs/dbraw/zinc/53/49/96/1137534996.db2.gz WZIXVFJLLLHPSA-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126570 1137534998 /nfs/dbraw/zinc/53/49/98/1137534998.db2.gz WZIXVFJLLLHPSA-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126570 1137535000 /nfs/dbraw/zinc/53/50/00/1137535000.db2.gz WZIXVFJLLLHPSA-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129438 1137535369 /nfs/dbraw/zinc/53/53/69/1137535369.db2.gz ZSGKJXBNIJGEFC-FFGOWVMKSA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129438 1137535371 /nfs/dbraw/zinc/53/53/71/1137535371.db2.gz ZSGKJXBNIJGEFC-FFGOWVMKSA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129438 1137535373 /nfs/dbraw/zinc/53/53/73/1137535373.db2.gz ZSGKJXBNIJGEFC-FFGOWVMKSA-N 2 1 346.515 3.547 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(n3ncc4ccccc43)CC1)C2 ZINC001172128304 1137535401 /nfs/dbraw/zinc/53/54/01/1137535401.db2.gz QZHJYSMYRFQTQP-ACDBMABISA-N 2 1 338.499 3.689 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(n3ncc4ccccc43)CC1)C2 ZINC001172128304 1137535402 /nfs/dbraw/zinc/53/54/02/1137535402.db2.gz QZHJYSMYRFQTQP-ACDBMABISA-N 2 1 338.499 3.689 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128897 1137535674 /nfs/dbraw/zinc/53/56/74/1137535674.db2.gz VNTHOBUIDBBOHD-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128897 1137535675 /nfs/dbraw/zinc/53/56/75/1137535675.db2.gz VNTHOBUIDBBOHD-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128897 1137535677 /nfs/dbraw/zinc/53/56/77/1137535677.db2.gz VNTHOBUIDBBOHD-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128897 1137535679 /nfs/dbraw/zinc/53/56/79/1137535679.db2.gz VNTHOBUIDBBOHD-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001172133663 1137535863 /nfs/dbraw/zinc/53/58/63/1137535863.db2.gz UJYBYDFZVRRCCA-PNKHAZJDSA-N 2 1 345.918 3.618 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001172101860 1137536649 /nfs/dbraw/zinc/53/66/49/1137536649.db2.gz CGAMEVDHUJGPTI-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001172101860 1137536651 /nfs/dbraw/zinc/53/66/51/1137536651.db2.gz CGAMEVDHUJGPTI-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP COc1ccc(CC(C)(C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172112580 1137537566 /nfs/dbraw/zinc/53/75/66/1137537566.db2.gz XZPOFMZZBWPCJA-REPLKXPHSA-N 2 1 330.516 3.869 20 0 EHADMP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113802 1137537651 /nfs/dbraw/zinc/53/76/51/1137537651.db2.gz MLXACDILQNMNFL-RSPOEFSDSA-N 2 1 330.516 3.963 20 0 EHADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113802 1137537652 /nfs/dbraw/zinc/53/76/52/1137537652.db2.gz MLXACDILQNMNFL-RSPOEFSDSA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113802 1137537653 /nfs/dbraw/zinc/53/76/53/1137537653.db2.gz MLXACDILQNMNFL-RSPOEFSDSA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113802 1137537654 /nfs/dbraw/zinc/53/76/54/1137537654.db2.gz MLXACDILQNMNFL-RSPOEFSDSA-N 2 1 330.516 3.963 20 0 EHADMP COc1cccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172112148 1137537729 /nfs/dbraw/zinc/53/77/29/1137537729.db2.gz SKVXKBXQJHFTJR-LDLYASANSA-N 2 1 328.500 3.623 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120544 1137538382 /nfs/dbraw/zinc/53/83/82/1137538382.db2.gz GBXQFLXCUSZTEX-IYWMVGAKSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120544 1137538384 /nfs/dbraw/zinc/53/83/84/1137538384.db2.gz GBXQFLXCUSZTEX-IYWMVGAKSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120544 1137538386 /nfs/dbraw/zinc/53/83/86/1137538386.db2.gz GBXQFLXCUSZTEX-IYWMVGAKSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120544 1137538388 /nfs/dbraw/zinc/53/83/88/1137538388.db2.gz GBXQFLXCUSZTEX-IYWMVGAKSA-N 2 1 328.500 3.854 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115883 1137538598 /nfs/dbraw/zinc/53/85/98/1137538598.db2.gz VSOJTMBZBFIJNT-MZADTFQBSA-N 2 1 333.564 3.636 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121334 1137538738 /nfs/dbraw/zinc/53/87/38/1137538738.db2.gz DPCGCTCCCWLHQO-FAJBIJEISA-N 2 1 331.529 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121334 1137538740 /nfs/dbraw/zinc/53/87/40/1137538740.db2.gz DPCGCTCCCWLHQO-FAJBIJEISA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121334 1137538742 /nfs/dbraw/zinc/53/87/42/1137538742.db2.gz DPCGCTCCCWLHQO-FAJBIJEISA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Sc3ccncc3)C1)C2 ZINC001172121334 1137538743 /nfs/dbraw/zinc/53/87/43/1137538743.db2.gz DPCGCTCCCWLHQO-FAJBIJEISA-N 2 1 331.529 3.653 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CSc4ccccc4C3)C2)cc1 ZINC001172190067 1137539441 /nfs/dbraw/zinc/53/94/41/1137539441.db2.gz IXAROKQYCPHYGA-AZUAARDMSA-N 2 1 338.520 3.815 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[C@@H]1C ZINC001172363595 1137554827 /nfs/dbraw/zinc/55/48/27/1137554827.db2.gz LUTSWLSHFLIHKZ-UMGGQSCQSA-N 2 1 346.515 3.642 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001172415126 1137556082 /nfs/dbraw/zinc/55/60/82/1137556082.db2.gz VSHPJXVKXRWXHO-AWEZNQCLSA-N 2 1 344.421 3.770 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1F ZINC000872021764 1137565263 /nfs/dbraw/zinc/56/52/63/1137565263.db2.gz ULPRDFINEMXVDA-OAHLLOKOSA-N 2 1 328.431 3.978 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000872080613 1137570232 /nfs/dbraw/zinc/57/02/32/1137570232.db2.gz AXRSMWJRJIUNKE-YSTOQKLRSA-N 2 1 330.516 3.515 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Cl)c1OC ZINC000873223117 1137594336 /nfs/dbraw/zinc/59/43/36/1137594336.db2.gz IASRHAYAGATAKS-GOSISDBHSA-N 2 1 340.895 3.554 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Cl)c1OC ZINC000873223117 1137594337 /nfs/dbraw/zinc/59/43/37/1137594337.db2.gz IASRHAYAGATAKS-GOSISDBHSA-N 2 1 340.895 3.554 20 0 EHADMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000873231491 1137594499 /nfs/dbraw/zinc/59/44/99/1137594499.db2.gz KSEKAQNUCHOHOY-UHFFFAOYSA-N 2 1 340.471 3.784 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000125184727 1137625145 /nfs/dbraw/zinc/62/51/45/1137625145.db2.gz SYOGNHZFXKPJHM-NJYVYQBISA-N 2 1 330.516 3.839 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000125184727 1137625146 /nfs/dbraw/zinc/62/51/46/1137625146.db2.gz SYOGNHZFXKPJHM-NJYVYQBISA-N 2 1 330.516 3.839 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000125184727 1137625147 /nfs/dbraw/zinc/62/51/47/1137625147.db2.gz SYOGNHZFXKPJHM-NJYVYQBISA-N 2 1 330.516 3.839 20 0 EHADMP C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247504 1137627900 /nfs/dbraw/zinc/62/79/00/1137627900.db2.gz RDIWFMKBVARKNF-UXHICEINSA-N 2 1 344.524 3.768 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247504 1137627901 /nfs/dbraw/zinc/62/79/01/1137627901.db2.gz RDIWFMKBVARKNF-UXHICEINSA-N 2 1 344.524 3.768 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247504 1137627902 /nfs/dbraw/zinc/62/79/02/1137627902.db2.gz RDIWFMKBVARKNF-UXHICEINSA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247504 1137627903 /nfs/dbraw/zinc/62/79/03/1137627903.db2.gz RDIWFMKBVARKNF-UXHICEINSA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247504 1137627904 /nfs/dbraw/zinc/62/79/04/1137627904.db2.gz RDIWFMKBVARKNF-UXHICEINSA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811252 1137662154 /nfs/dbraw/zinc/66/21/54/1137662154.db2.gz JEMYSCHCDHHOKP-MISYRCLQSA-N 2 1 346.515 3.547 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811252 1137662155 /nfs/dbraw/zinc/66/21/55/1137662155.db2.gz JEMYSCHCDHHOKP-MISYRCLQSA-N 2 1 346.515 3.547 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccns3)cc2)CC1 ZINC000876866949 1137664189 /nfs/dbraw/zinc/66/41/89/1137664189.db2.gz YURIIZINZHGCKC-UHFFFAOYSA-N 2 1 330.501 3.533 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000876890969 1137664755 /nfs/dbraw/zinc/66/47/55/1137664755.db2.gz MXSYGUOVZLLCEV-CEMLEFRQSA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000876890969 1137664756 /nfs/dbraw/zinc/66/47/56/1137664756.db2.gz MXSYGUOVZLLCEV-CEMLEFRQSA-N 2 1 336.479 3.678 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876988642 1137667013 /nfs/dbraw/zinc/66/70/13/1137667013.db2.gz JQLBCBIZMNAZKD-AWEZNQCLSA-N 2 1 349.931 3.986 20 0 EHADMP Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988642 1137667014 /nfs/dbraw/zinc/66/70/14/1137667014.db2.gz JQLBCBIZMNAZKD-AWEZNQCLSA-N 2 1 349.931 3.986 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076824 1137669475 /nfs/dbraw/zinc/66/94/75/1137669475.db2.gz VUNADVSOBDTATK-BMFZPTHFSA-N 2 1 327.299 3.823 20 0 EHADMP CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000877524991 1137679600 /nfs/dbraw/zinc/67/96/00/1137679600.db2.gz NEFXABHUXXOGNE-UHFFFAOYSA-N 2 1 339.439 3.617 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000877524915 1137679625 /nfs/dbraw/zinc/67/96/25/1137679625.db2.gz KOEMVOGVSVKEBA-QZTJIDSGSA-N 2 1 325.500 3.876 20 0 EHADMP Cc1nccn1CCC[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878288415 1137709862 /nfs/dbraw/zinc/70/98/62/1137709862.db2.gz WDAVPZYRKNZSKH-MRXNPFEDSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878288415 1137709863 /nfs/dbraw/zinc/70/98/63/1137709863.db2.gz WDAVPZYRKNZSKH-MRXNPFEDSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878288415 1137709864 /nfs/dbraw/zinc/70/98/64/1137709864.db2.gz WDAVPZYRKNZSKH-MRXNPFEDSA-N 2 1 342.270 3.554 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878337052 1137711241 /nfs/dbraw/zinc/71/12/41/1137711241.db2.gz AHJYORZXRIURJW-GIVPXCGWSA-N 2 1 343.515 3.578 20 0 EHADMP CC(C)C[N@H+](Cc1cc(-c2ccco2)on1)CC1CC[NH+](C)CC1 ZINC000879702765 1137755795 /nfs/dbraw/zinc/75/57/95/1137755795.db2.gz XUWSHZGEIKVEID-UHFFFAOYSA-N 2 1 331.460 3.734 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919774 1137762394 /nfs/dbraw/zinc/76/23/94/1137762394.db2.gz SZSSHUHTEHUVKF-QGZVFWFLSA-N 2 1 329.492 3.698 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919774 1137762395 /nfs/dbraw/zinc/76/23/95/1137762395.db2.gz SZSSHUHTEHUVKF-QGZVFWFLSA-N 2 1 329.492 3.698 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880385451 1137777487 /nfs/dbraw/zinc/77/74/87/1137777487.db2.gz MPLXGFUHBNDDLF-UHFFFAOYSA-N 2 1 325.378 3.896 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000882932218 1137839001 /nfs/dbraw/zinc/83/90/01/1137839001.db2.gz BPTGCVKFYFTDJB-UHFFFAOYSA-N 2 1 338.495 3.889 20 0 EHADMP Cc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c(Cl)n1 ZINC000883302028 1137853461 /nfs/dbraw/zinc/85/34/61/1137853461.db2.gz OOKJOBSBXVIYQI-OAHLLOKOSA-N 2 1 347.890 3.835 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCOC1 ZINC000883352578 1137856974 /nfs/dbraw/zinc/85/69/74/1137856974.db2.gz DLVKAEIFXJUTSM-ACRUOGEOSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCOC1 ZINC000883352578 1137856975 /nfs/dbraw/zinc/85/69/75/1137856975.db2.gz DLVKAEIFXJUTSM-ACRUOGEOSA-N 2 1 342.527 3.978 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000101727859 1137871418 /nfs/dbraw/zinc/87/14/18/1137871418.db2.gz HXVGTZYVPUSEKK-HXUWFJFHSA-N 2 1 343.515 3.589 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000101727859 1137871419 /nfs/dbraw/zinc/87/14/19/1137871419.db2.gz HXVGTZYVPUSEKK-HXUWFJFHSA-N 2 1 343.515 3.589 20 0 EHADMP C[C@H]1C[N@@H+](C/C(Br)=C/c2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205980833 1137959125 /nfs/dbraw/zinc/95/91/25/1137959125.db2.gz AIOHTWWYQITEOW-OYEMUKOHSA-N 2 1 337.305 3.729 20 0 EHADMP C[C@H]1C[N@@H+](CCCc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205981065 1137962688 /nfs/dbraw/zinc/96/26/88/1137962688.db2.gz BNVIRPLROQFXPB-GOEBONIOSA-N 2 1 339.321 3.689 20 0 EHADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886527136 1138090455 /nfs/dbraw/zinc/09/04/55/1138090455.db2.gz ZHTSAFKCLRHOBC-FKBYEOEOSA-N 2 1 335.495 3.575 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)[nH+]c1C ZINC000886661083 1138110246 /nfs/dbraw/zinc/11/02/46/1138110246.db2.gz LZACMVRQDXWSER-UHFFFAOYSA-N 2 1 347.466 3.863 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770450 1138240563 /nfs/dbraw/zinc/24/05/63/1138240563.db2.gz PPDWPSMCTWSPNA-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770450 1138240564 /nfs/dbraw/zinc/24/05/64/1138240564.db2.gz PPDWPSMCTWSPNA-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770450 1138240565 /nfs/dbraw/zinc/24/05/65/1138240565.db2.gz PPDWPSMCTWSPNA-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093770450 1138240567 /nfs/dbraw/zinc/24/05/67/1138240567.db2.gz PPDWPSMCTWSPNA-CQSZACIVSA-N 2 1 332.879 3.504 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123020919 1138265101 /nfs/dbraw/zinc/26/51/01/1138265101.db2.gz QJSOUSMIEALPLT-DGCLKSJQSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000123020919 1138265096 /nfs/dbraw/zinc/26/50/96/1138265096.db2.gz QJSOUSMIEALPLT-DGCLKSJQSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000123020919 1138265097 /nfs/dbraw/zinc/26/50/97/1138265097.db2.gz QJSOUSMIEALPLT-DGCLKSJQSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)CC[NH+]1C ZINC000123020919 1138265099 /nfs/dbraw/zinc/26/50/99/1138265099.db2.gz QJSOUSMIEALPLT-DGCLKSJQSA-N 2 1 329.257 3.503 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000348420421 1138304934 /nfs/dbraw/zinc/30/49/34/1138304934.db2.gz LJUQOLJHXLDDBY-GJZGRUSLSA-N 2 1 340.508 3.699 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000348420421 1138304937 /nfs/dbraw/zinc/30/49/37/1138304937.db2.gz LJUQOLJHXLDDBY-GJZGRUSLSA-N 2 1 340.508 3.699 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)N3C)CCCO2 ZINC000126449362 1138331011 /nfs/dbraw/zinc/33/10/11/1138331011.db2.gz RRWXMHYAHJYEBV-IHBAFOEMSA-N 2 1 330.472 3.514 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCCO2 ZINC000126449362 1138331013 /nfs/dbraw/zinc/33/10/13/1138331013.db2.gz RRWXMHYAHJYEBV-IHBAFOEMSA-N 2 1 330.472 3.514 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCCO2 ZINC000126449362 1138331015 /nfs/dbraw/zinc/33/10/15/1138331015.db2.gz RRWXMHYAHJYEBV-IHBAFOEMSA-N 2 1 330.472 3.514 20 0 EHADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000130894576 1138483141 /nfs/dbraw/zinc/48/31/41/1138483141.db2.gz YKWGUQGWLXLFOA-UHFFFAOYSA-N 2 1 346.906 3.739 20 0 EHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Cl)cc1 ZINC000337677073 1138641255 /nfs/dbraw/zinc/64/12/55/1138641255.db2.gz YRCJEVCTQPPNBP-UHFFFAOYSA-N 2 1 349.906 3.619 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000337947337 1138704482 /nfs/dbraw/zinc/70/44/82/1138704482.db2.gz QWBAKMSZCHJOLD-UHFFFAOYSA-N 2 1 342.668 3.787 20 0 EHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1)CC(C)C ZINC000338290098 1138818068 /nfs/dbraw/zinc/81/80/68/1138818068.db2.gz UECZBWIDUMXYSB-OAHLLOKOSA-N 2 1 338.565 3.988 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1)CC(C)C ZINC000338290098 1138818075 /nfs/dbraw/zinc/81/80/75/1138818075.db2.gz UECZBWIDUMXYSB-OAHLLOKOSA-N 2 1 338.565 3.988 20 0 EHADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816044 1138984255 /nfs/dbraw/zinc/98/42/55/1138984255.db2.gz OUOVJYWUDAQCRX-MRXNPFEDSA-N 2 1 342.405 3.545 20 0 EHADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816044 1138984259 /nfs/dbraw/zinc/98/42/59/1138984259.db2.gz OUOVJYWUDAQCRX-MRXNPFEDSA-N 2 1 342.405 3.545 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000152431635 1139090409 /nfs/dbraw/zinc/09/04/09/1139090409.db2.gz IJBPJAFPRGOQOS-ZNMIVQPWSA-N 2 1 329.513 3.862 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)CCO1 ZINC000153465983 1139137805 /nfs/dbraw/zinc/13/78/05/1139137805.db2.gz PDNNLUWVRVRVJB-HTAPYJJXSA-N 2 1 336.479 3.684 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)CCO1 ZINC000153465983 1139137808 /nfs/dbraw/zinc/13/78/08/1139137808.db2.gz PDNNLUWVRVRVJB-HTAPYJJXSA-N 2 1 336.479 3.684 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153738769 1139149671 /nfs/dbraw/zinc/14/96/71/1139149671.db2.gz OEMSHPZRZORMLQ-GDBMZVCRSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@@H+]1C ZINC000153738769 1139149687 /nfs/dbraw/zinc/14/96/87/1139149687.db2.gz OEMSHPZRZORMLQ-GDBMZVCRSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153738769 1139149690 /nfs/dbraw/zinc/14/96/90/1139149690.db2.gz OEMSHPZRZORMLQ-GDBMZVCRSA-N 2 1 329.419 3.585 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000174629391 1139431763 /nfs/dbraw/zinc/43/17/63/1139431763.db2.gz AWZTXPYGKKTDHI-CJNGLKHVSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000174629391 1139431765 /nfs/dbraw/zinc/43/17/65/1139431765.db2.gz AWZTXPYGKKTDHI-CJNGLKHVSA-N 2 1 340.895 3.567 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000178702697 1139712779 /nfs/dbraw/zinc/71/27/79/1139712779.db2.gz CPIAPDJKUDGKED-MAUKXSAKSA-N 2 1 325.456 3.864 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120130 1139735752 /nfs/dbraw/zinc/73/57/52/1139735752.db2.gz QEACOJRNADGJGY-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120130 1139735757 /nfs/dbraw/zinc/73/57/57/1139735757.db2.gz QEACOJRNADGJGY-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)cn1 ZINC000180177270 1139816647 /nfs/dbraw/zinc/81/66/47/1139816647.db2.gz IJZPAMDJYLOSGR-VFNWGFHPSA-N 2 1 332.451 3.907 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710620 1140165714 /nfs/dbraw/zinc/16/57/14/1140165714.db2.gz ILRRMYCMXDMONU-HUUCEWRRSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710620 1140165717 /nfs/dbraw/zinc/16/57/17/1140165717.db2.gz ILRRMYCMXDMONU-HUUCEWRRSA-N 2 1 349.906 3.521 20 0 EHADMP CSCCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000186772166 1140221277 /nfs/dbraw/zinc/22/12/77/1140221277.db2.gz SSCBZBSVPJZLST-UHFFFAOYSA-N 2 1 338.536 3.956 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187157763 1140242236 /nfs/dbraw/zinc/24/22/36/1140242236.db2.gz NLWAOUFEPDTQSB-KRWDZBQOSA-N 2 1 339.483 3.579 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187157763 1140242244 /nfs/dbraw/zinc/24/22/44/1140242244.db2.gz NLWAOUFEPDTQSB-KRWDZBQOSA-N 2 1 339.483 3.579 20 0 EHADMP CC(C)OC1CC(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000189499803 1140348066 /nfs/dbraw/zinc/34/80/66/1140348066.db2.gz BQBTTYKUUQRZLB-UHFFFAOYSA-N 2 1 345.531 3.833 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000191520177 1140469672 /nfs/dbraw/zinc/46/96/72/1140469672.db2.gz NXMFIXUYSPWNJK-HNNXBMFYSA-N 2 1 347.459 3.607 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000191520177 1140469675 /nfs/dbraw/zinc/46/96/75/1140469675.db2.gz NXMFIXUYSPWNJK-HNNXBMFYSA-N 2 1 347.459 3.607 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000268732467 1140978430 /nfs/dbraw/zinc/97/84/30/1140978430.db2.gz ALBAHDBGEBOHDR-ICSRJNTNSA-N 2 1 348.494 3.520 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000268732467 1140978433 /nfs/dbraw/zinc/97/84/33/1140978433.db2.gz ALBAHDBGEBOHDR-ICSRJNTNSA-N 2 1 348.494 3.520 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000268733864 1140979583 /nfs/dbraw/zinc/97/95/83/1140979583.db2.gz AYTIFSWHSKWMMP-AWEZNQCLSA-N 2 1 332.517 3.894 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000268733864 1140979584 /nfs/dbraw/zinc/97/95/84/1140979584.db2.gz AYTIFSWHSKWMMP-AWEZNQCLSA-N 2 1 332.517 3.894 20 0 EHADMP CCCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268883342 1141016332 /nfs/dbraw/zinc/01/63/32/1141016332.db2.gz FPBAZPSZRRTTFM-KNQAVFIVSA-N 2 1 343.559 3.894 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928657 1141027607 /nfs/dbraw/zinc/02/76/07/1141027607.db2.gz YUPLIQGJKKFQLJ-QZTJIDSGSA-N 2 1 326.488 3.643 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000269027979 1141050320 /nfs/dbraw/zinc/05/03/20/1141050320.db2.gz SLLCMROXLNNVLW-APWZRJJASA-N 2 1 343.902 3.920 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000269027979 1141050326 /nfs/dbraw/zinc/05/03/26/1141050326.db2.gz SLLCMROXLNNVLW-APWZRJJASA-N 2 1 343.902 3.920 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309515 1141204679 /nfs/dbraw/zinc/20/46/79/1141204679.db2.gz GUPXLKMNXCSFRO-QGZVFWFLSA-N 2 1 345.314 3.831 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309515 1141204703 /nfs/dbraw/zinc/20/47/03/1141204703.db2.gz GUPXLKMNXCSFRO-QGZVFWFLSA-N 2 1 345.314 3.831 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000270665586 1141253340 /nfs/dbraw/zinc/25/33/40/1141253340.db2.gz REVGUDRUCJWJBA-UHFFFAOYSA-N 2 1 328.279 3.538 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)cs1 ZINC000270665586 1141253346 /nfs/dbraw/zinc/25/33/46/1141253346.db2.gz REVGUDRUCJWJBA-UHFFFAOYSA-N 2 1 328.279 3.538 20 0 EHADMP COc1ccc2[nH]cc(C3CC[NH+](CCn4cc[nH+]c4C)CC3)c2c1 ZINC000270678601 1141255072 /nfs/dbraw/zinc/25/50/72/1141255072.db2.gz UCXMQGZIAHYRDA-UHFFFAOYSA-N 2 1 338.455 3.561 20 0 EHADMP Cc1sccc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000339179370 1141519530 /nfs/dbraw/zinc/51/95/30/1141519530.db2.gz DAHFXEZUMDSUKW-IYBDPMFKSA-N 2 1 344.524 3.956 20 0 EHADMP CCCn1nc(C)c(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000348964871 1141616478 /nfs/dbraw/zinc/61/64/78/1141616478.db2.gz LOHOALNIWWSIEA-UHFFFAOYSA-N 2 1 342.531 3.994 20 0 EHADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000078758906 217114579 /nfs/dbraw/zinc/11/45/79/217114579.db2.gz VGUPXTZUSRXKCM-CQSZACIVSA-N 2 1 346.272 3.672 20 0 EHADMP Brc1cccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000037648913 518219722 /nfs/dbraw/zinc/21/97/22/518219722.db2.gz HHYSUSMCZGHGSC-KTAKPFMOSA-N 2 1 349.316 3.769 20 0 EHADMP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001165052652 722003505 /nfs/dbraw/zinc/00/35/05/722003505.db2.gz BJUSWMZFVMVCNI-UHFFFAOYSA-N 2 1 341.503 3.857 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000305773036 1125463338 /nfs/dbraw/zinc/46/33/38/1125463338.db2.gz VLGCSTLFWILJAW-AEGPPILISA-N 2 1 342.936 3.820 20 0 EHADMP OCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000278705749 1032071069 /nfs/dbraw/zinc/07/10/69/1032071069.db2.gz LIGTYDFAUXCMRF-MZADTFQBSA-N 2 1 342.527 3.714 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904476967 1032074222 /nfs/dbraw/zinc/07/42/22/1032074222.db2.gz VNQQDDWMBKMDQU-IEBWSBKVSA-N 2 1 346.833 3.825 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000584291077 1032080805 /nfs/dbraw/zinc/08/08/05/1032080805.db2.gz XRJXEEAQVDXPSG-OAQYLSRUSA-N 2 1 335.495 3.985 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000584291077 1032080817 /nfs/dbraw/zinc/08/08/17/1032080817.db2.gz XRJXEEAQVDXPSG-OAQYLSRUSA-N 2 1 335.495 3.985 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000320100545 1014447623 /nfs/dbraw/zinc/44/76/23/1014447623.db2.gz MDDOIKFVDNCUBH-ZIFCJYIRSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000320100545 1014447629 /nfs/dbraw/zinc/44/76/29/1014447629.db2.gz MDDOIKFVDNCUBH-ZIFCJYIRSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H]1CSCC[NH+]1Cc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000343732938 1032100846 /nfs/dbraw/zinc/10/08/46/1032100846.db2.gz CPLAPLLOGUPYBN-HOTGVXAUSA-N 2 1 336.570 3.561 20 0 EHADMP CCc1noc(CC)c1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740689 1014742193 /nfs/dbraw/zinc/74/21/93/1014742193.db2.gz AENVFSQLVXOMDF-FUHWJXTLSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274740689 1014742200 /nfs/dbraw/zinc/74/22/00/1014742200.db2.gz AENVFSQLVXOMDF-FUHWJXTLSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740689 1014742213 /nfs/dbraw/zinc/74/22/13/1014742213.db2.gz AENVFSQLVXOMDF-FUHWJXTLSA-N 2 1 341.499 3.800 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618100 1015102666 /nfs/dbraw/zinc/10/26/66/1015102666.db2.gz RTPGCRIWPUDMFM-JOQOYGCGSA-N 2 1 339.310 3.909 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618100 1015102674 /nfs/dbraw/zinc/10/26/74/1015102674.db2.gz RTPGCRIWPUDMFM-JOQOYGCGSA-N 2 1 339.310 3.909 20 0 EHADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618100 1015102680 /nfs/dbraw/zinc/10/26/80/1015102680.db2.gz RTPGCRIWPUDMFM-JOQOYGCGSA-N 2 1 339.310 3.909 20 0 EHADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618100 1015102689 /nfs/dbraw/zinc/10/26/89/1015102689.db2.gz RTPGCRIWPUDMFM-JOQOYGCGSA-N 2 1 339.310 3.909 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000179442196 1015392877 /nfs/dbraw/zinc/39/28/77/1015392877.db2.gz LEXQAPRHSAIJAY-UHFFFAOYSA-N 2 1 348.288 3.793 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000179442196 1015392884 /nfs/dbraw/zinc/39/28/84/1015392884.db2.gz LEXQAPRHSAIJAY-UHFFFAOYSA-N 2 1 348.288 3.793 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000154448634 1015457880 /nfs/dbraw/zinc/45/78/80/1015457880.db2.gz GZJMEMTZUDNNPF-LJQANCHMSA-N 2 1 331.548 3.878 20 0 EHADMP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459449346 1032136633 /nfs/dbraw/zinc/13/66/33/1032136633.db2.gz MSTCNNOSDFKRBL-TZIWHRDSSA-N 2 1 328.500 3.901 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]cc1Br ZINC000339975323 1016093207 /nfs/dbraw/zinc/09/32/07/1016093207.db2.gz KUTLLBOBRFQQMQ-UHFFFAOYSA-N 2 1 348.288 3.720 20 0 EHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC2)CC1 ZINC000443884791 1016242827 /nfs/dbraw/zinc/24/28/27/1016242827.db2.gz OMDOHIYWQYWNAT-UHFFFAOYSA-N 2 1 335.373 3.928 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000155200475 1016291679 /nfs/dbraw/zinc/29/16/79/1016291679.db2.gz WVICIJAORVAGAR-LPHOPBHVSA-N 3 1 349.950 3.624 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CCN1C ZINC000155200475 1016291691 /nfs/dbraw/zinc/29/16/91/1016291691.db2.gz WVICIJAORVAGAR-LPHOPBHVSA-N 2 1 349.950 3.624 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275362927 1016566284 /nfs/dbraw/zinc/56/62/84/1016566284.db2.gz BFULWZJHQAJPED-ZFWWWQNUSA-N 2 1 337.389 3.685 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)sc1Br ZINC000510254155 1016777957 /nfs/dbraw/zinc/77/79/57/1016777957.db2.gz JNUIBTKAMDPCNX-LBPRGKRZSA-N 2 1 331.323 3.956 20 0 EHADMP CC[N@H+](C)[C@H](C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000340335189 1016960110 /nfs/dbraw/zinc/96/01/10/1016960110.db2.gz URWNLTSCJWOZBX-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000340335189 1016960119 /nfs/dbraw/zinc/96/01/19/1016960119.db2.gz URWNLTSCJWOZBX-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000449068640 1032155545 /nfs/dbraw/zinc/15/55/45/1032155545.db2.gz CIUNZAVVDSHDTE-UHFFFAOYSA-N 2 1 329.513 3.973 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000449073277 1032159661 /nfs/dbraw/zinc/15/96/61/1032159661.db2.gz SFDFTRVFTCTLCB-UHFFFAOYSA-N 2 1 345.531 3.554 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414844185 1017235211 /nfs/dbraw/zinc/23/52/11/1017235211.db2.gz CNIPNDBHPHQRPJ-MNOVXSKESA-N 2 1 331.685 3.580 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089531 1032192447 /nfs/dbraw/zinc/19/24/47/1032192447.db2.gz KCTYJNOQFRDVQK-NHYWBVRUSA-N 2 1 341.268 3.507 20 0 EHADMP C[C@@H](C[NH2+]Cc1cnc(CCc2ccccc2)s1)C[NH+]1CCCC1 ZINC000449094256 1032200598 /nfs/dbraw/zinc/20/05/98/1032200598.db2.gz YMCVTCMXVNEKEL-KRWDZBQOSA-N 2 1 343.540 3.750 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCc2csc(C)n2)CC1)CC1CC1 ZINC000536737664 1032233284 /nfs/dbraw/zinc/23/32/84/1032233284.db2.gz PUUOJNYGADNZMA-UHFFFAOYSA-N 2 1 335.561 3.828 20 0 EHADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340376514 1017072372 /nfs/dbraw/zinc/07/23/72/1017072372.db2.gz ZZOMEGWCDNZMGV-CTWPCTMYSA-N 2 1 330.472 3.531 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459548109 1032266843 /nfs/dbraw/zinc/26/68/43/1032266843.db2.gz UJUWSSTWJZIROG-HXUWFJFHSA-N 2 1 341.499 3.855 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2coc3ccccc23)CC1 ZINC000924660131 1032281120 /nfs/dbraw/zinc/28/11/20/1032281120.db2.gz NTDCTZQZQUYSBL-KRWDZBQOSA-N 2 1 329.488 3.501 20 0 EHADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449198028 1032323412 /nfs/dbraw/zinc/32/34/12/1032323412.db2.gz ZHVSHBKSNXKCCK-QFBILLFUSA-N 2 1 335.580 3.738 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000538398967 1032328224 /nfs/dbraw/zinc/32/82/24/1032328224.db2.gz VIKRIEWYIZQSKR-UXHICEINSA-N 2 1 330.516 3.753 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000081632896 1032355760 /nfs/dbraw/zinc/35/57/60/1032355760.db2.gz QLCHZHLZVPCOOU-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632896 1032355771 /nfs/dbraw/zinc/35/57/71/1032355771.db2.gz QLCHZHLZVPCOOU-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632896 1032355778 /nfs/dbraw/zinc/35/57/78/1032355778.db2.gz QLCHZHLZVPCOOU-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632896 1032355782 /nfs/dbraw/zinc/35/57/82/1032355782.db2.gz QLCHZHLZVPCOOU-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632896 1032355788 /nfs/dbraw/zinc/35/57/88/1032355788.db2.gz QLCHZHLZVPCOOU-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP Cc1ccc(-c2nc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cs2)cc1 ZINC000459722808 1032429584 /nfs/dbraw/zinc/42/95/84/1032429584.db2.gz CAEFMFRWEJQWDD-MRXNPFEDSA-N 2 1 329.513 3.940 20 0 EHADMP c1c2cccnc2oc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449321330 1032452032 /nfs/dbraw/zinc/45/20/32/1032452032.db2.gz LMXRMRAUXYEMTL-QFIPXVFZSA-N 2 1 347.462 3.926 20 0 EHADMP c1c2cccnc2oc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449321330 1032452041 /nfs/dbraw/zinc/45/20/41/1032452041.db2.gz LMXRMRAUXYEMTL-QFIPXVFZSA-N 2 1 347.462 3.926 20 0 EHADMP c1c2cccnc2oc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449321330 1032452047 /nfs/dbraw/zinc/45/20/47/1032452047.db2.gz LMXRMRAUXYEMTL-QFIPXVFZSA-N 2 1 347.462 3.926 20 0 EHADMP COc1cc(Cl)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000459738579 1032453640 /nfs/dbraw/zinc/45/36/40/1032453640.db2.gz RYDIHBNOBXJMJH-LBPRGKRZSA-N 2 1 331.287 3.824 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892741199 1017284096 /nfs/dbraw/zinc/28/40/96/1017284096.db2.gz RGCJADDEPPZDQI-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892741199 1017284107 /nfs/dbraw/zinc/28/41/07/1017284107.db2.gz RGCJADDEPPZDQI-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000449337999 1032476065 /nfs/dbraw/zinc/47/60/65/1032476065.db2.gz QYZPFAORRJNBFX-INIZCTEOSA-N 2 1 332.536 3.536 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(Br)cc2)[C@H](C)C1 ZINC000449461872 1032610010 /nfs/dbraw/zinc/61/00/10/1032610010.db2.gz UCLFLSGULDTBLS-DSLFPGPSSA-N 2 1 337.305 3.782 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000236639011 1017376723 /nfs/dbraw/zinc/37/67/23/1017376723.db2.gz DIBULZGUBCDDLX-UHFFFAOYSA-N 2 1 330.394 3.938 20 0 EHADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000613644420 1017388033 /nfs/dbraw/zinc/38/80/33/1017388033.db2.gz IONZUQWRRLEUHS-UHFFFAOYSA-N 2 1 343.515 3.522 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698047 1017413753 /nfs/dbraw/zinc/41/37/53/1017413753.db2.gz VBWFBOGFHGBRFP-MJGOQNOKSA-N 2 1 346.515 3.835 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698047 1017413759 /nfs/dbraw/zinc/41/37/59/1017413759.db2.gz VBWFBOGFHGBRFP-MJGOQNOKSA-N 2 1 346.515 3.835 20 0 EHADMP CC(C)(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655705277 1017423713 /nfs/dbraw/zinc/42/37/13/1017423713.db2.gz ATFGOHBZTVFZIN-FQEVSTJZSA-N 2 1 330.516 3.587 20 0 EHADMP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415036139 1017425574 /nfs/dbraw/zinc/42/55/74/1017425574.db2.gz FHZBWJYFRRQBFB-UKRRQHHQSA-N 2 1 344.833 3.905 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415036139 1017425584 /nfs/dbraw/zinc/42/55/84/1017425584.db2.gz FHZBWJYFRRQBFB-UKRRQHHQSA-N 2 1 344.833 3.905 20 0 EHADMP c1cn2c(n1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CCC2 ZINC000655703407 1017428969 /nfs/dbraw/zinc/42/89/69/1017428969.db2.gz GERDQKGFWOTFGQ-HXUWFJFHSA-N 2 1 338.499 3.884 20 0 EHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000655711893 1017434973 /nfs/dbraw/zinc/43/49/73/1017434973.db2.gz JUOFCIVOGMKZQL-IBGZPJMESA-N 2 1 328.500 3.525 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655724442 1017465840 /nfs/dbraw/zinc/46/58/40/1017465840.db2.gz YCPGGICSJYJRPK-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655724442 1017465845 /nfs/dbraw/zinc/46/58/45/1017465845.db2.gz YCPGGICSJYJRPK-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Clc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000655742686 1017507330 /nfs/dbraw/zinc/50/73/30/1017507330.db2.gz VRBRQDQZOVWFFZ-IBGZPJMESA-N 2 1 348.918 3.952 20 0 EHADMP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)c1 ZINC000415077757 1017512391 /nfs/dbraw/zinc/51/23/91/1017512391.db2.gz FFXBXFQRRGSKMS-VXKWHMMOSA-N 2 1 346.478 3.514 20 0 EHADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415079661 1017520650 /nfs/dbraw/zinc/52/06/50/1017520650.db2.gz IFFGGXNSEVLTFY-RDJZCZTQSA-N 2 1 341.455 3.503 20 0 EHADMP COc1cccc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415095436 1017541511 /nfs/dbraw/zinc/54/15/11/1017541511.db2.gz ZPFKXRCMBYOTEN-NVXWUHKLSA-N 2 1 332.488 3.637 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415112754 1017568557 /nfs/dbraw/zinc/56/85/57/1017568557.db2.gz DMJZKOCEWACMFZ-SJLPKXTDSA-N 2 1 326.488 3.616 20 0 EHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C1 ZINC000415128157 1017593849 /nfs/dbraw/zinc/59/38/49/1017593849.db2.gz RTPQJOLQRZEMSB-QWHCGFSZSA-N 2 1 349.327 3.773 20 0 EHADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000655839621 1017742038 /nfs/dbraw/zinc/74/20/38/1017742038.db2.gz VLUJOAMSBCSPEK-MXVIHJGJSA-N 2 1 330.516 3.629 20 0 EHADMP COc1ccccc1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000892948688 1017903349 /nfs/dbraw/zinc/90/33/49/1017903349.db2.gz XOQAZSAUMBZXOI-SOUXKNCUSA-N 2 1 336.479 3.999 20 0 EHADMP C[C@@H](CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)[NH+](C)C ZINC000340474362 1018001643 /nfs/dbraw/zinc/00/16/43/1018001643.db2.gz HVZQADZCYADROR-RXVVDRJESA-N 2 1 349.538 3.919 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@]1(C)CCCO1 ZINC000340484735 1018058340 /nfs/dbraw/zinc/05/83/40/1018058340.db2.gz DTEFINCOEFKYTK-LAUBAEHRSA-N 2 1 342.483 3.959 20 0 EHADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001167326935 1018092602 /nfs/dbraw/zinc/09/26/02/1018092602.db2.gz YHLBUJXTCIZQNQ-SJBKTWHCSA-N 2 1 344.543 3.739 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn3ccnc3s2)[C@H]1c1cccs1 ZINC000893021633 1018187517 /nfs/dbraw/zinc/18/75/17/1018187517.db2.gz VQFJEZQDRJJRBK-CJNGLKHVSA-N 2 1 346.525 3.630 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893100913 1018492124 /nfs/dbraw/zinc/49/21/24/1018492124.db2.gz BGCHLEZKONPARV-UHFFFAOYSA-N 2 1 344.421 3.742 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OCC2CC2)c(F)c1 ZINC000893131874 1018588107 /nfs/dbraw/zinc/58/81/07/1018588107.db2.gz GVQRBPHNFZYKMF-DXJOGWAWSA-N 2 1 332.463 3.890 20 0 EHADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000556497077 1018660057 /nfs/dbraw/zinc/66/00/57/1018660057.db2.gz CXLPPNHHCSHZKG-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000580184516 1018756132 /nfs/dbraw/zinc/75/61/32/1018756132.db2.gz GAUPEUGHRZKKPK-WNKNEZEQSA-N 2 1 330.516 3.570 20 0 EHADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000580184516 1018756141 /nfs/dbraw/zinc/75/61/41/1018756141.db2.gz GAUPEUGHRZKKPK-WNKNEZEQSA-N 2 1 330.516 3.570 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001168279759 1032812791 /nfs/dbraw/zinc/81/27/91/1032812791.db2.gz KWUWLAHYJPPVTG-UXHICEINSA-N 2 1 328.500 3.503 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000122742668 1019366489 /nfs/dbraw/zinc/36/64/89/1019366489.db2.gz KWAOOFLGZLOTCX-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000122742668 1019366513 /nfs/dbraw/zinc/36/65/13/1019366513.db2.gz KWAOOFLGZLOTCX-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000122742668 1019366528 /nfs/dbraw/zinc/36/65/28/1019366528.db2.gz KWAOOFLGZLOTCX-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000122742668 1019366542 /nfs/dbraw/zinc/36/65/42/1019366542.db2.gz KWAOOFLGZLOTCX-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513220984 1019436338 /nfs/dbraw/zinc/43/63/38/1019436338.db2.gz AKJNPPOOCONSGO-LVCYWYKZSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513220984 1019436344 /nfs/dbraw/zinc/43/63/44/1019436344.db2.gz AKJNPPOOCONSGO-LVCYWYKZSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513234360 1019461462 /nfs/dbraw/zinc/46/14/62/1019461462.db2.gz WFLWOPMJFOQUBM-DYXWJJEUSA-N 2 1 339.527 3.989 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513234360 1019461469 /nfs/dbraw/zinc/46/14/69/1019461469.db2.gz WFLWOPMJFOQUBM-DYXWJJEUSA-N 2 1 339.527 3.989 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254185 1019666040 /nfs/dbraw/zinc/66/60/40/1019666040.db2.gz CVEMFCIHIHNIKK-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP Cc1ncc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000513487251 1019745560 /nfs/dbraw/zinc/74/55/60/1019745560.db2.gz ACNFLXLGRJECSD-QAPCUYQASA-N 2 1 329.513 3.842 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000513545163 1019814665 /nfs/dbraw/zinc/81/46/65/1019814665.db2.gz ORLGOYPBQPSORI-FXAWDEMLSA-N 2 1 348.494 3.953 20 0 EHADMP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000398319894 1020276233 /nfs/dbraw/zinc/27/62/33/1020276233.db2.gz YUGZGNZCWLJTGI-UWHLTILDSA-N 2 1 338.882 3.527 20 0 EHADMP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000398319894 1020276243 /nfs/dbraw/zinc/27/62/43/1020276243.db2.gz YUGZGNZCWLJTGI-UWHLTILDSA-N 2 1 338.882 3.527 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000280696115 1020574676 /nfs/dbraw/zinc/57/46/76/1020574676.db2.gz ABIWSUDNPSRAAM-BFIYSBSQSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430554855 1020663332 /nfs/dbraw/zinc/66/33/32/1020663332.db2.gz OAQNNUUNNFHACJ-CABCVRRESA-N 2 1 344.421 3.924 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276192278 1020875777 /nfs/dbraw/zinc/87/57/77/1020875777.db2.gz CSHZJOYOPSLAAZ-UHFFFAOYSA-N 2 1 327.447 3.565 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502773 1021089853 /nfs/dbraw/zinc/08/98/53/1021089853.db2.gz WVYQARGCOWDXES-BQJUDKOJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502773 1021089862 /nfs/dbraw/zinc/08/98/62/1021089862.db2.gz WVYQARGCOWDXES-BQJUDKOJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502773 1021089867 /nfs/dbraw/zinc/08/98/67/1021089867.db2.gz WVYQARGCOWDXES-BQJUDKOJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502773 1021089889 /nfs/dbraw/zinc/08/98/89/1021089889.db2.gz WVYQARGCOWDXES-BQJUDKOJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502773 1021089895 /nfs/dbraw/zinc/08/98/95/1021089895.db2.gz WVYQARGCOWDXES-BQJUDKOJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502773 1021089902 /nfs/dbraw/zinc/08/99/02/1021089902.db2.gz WVYQARGCOWDXES-BQJUDKOJSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502773 1021089909 /nfs/dbraw/zinc/08/99/09/1021089909.db2.gz WVYQARGCOWDXES-BQJUDKOJSA-N 2 1 335.580 3.551 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414985708 1021200580 /nfs/dbraw/zinc/20/05/80/1021200580.db2.gz WSNXAJRFNYDFDW-CQSZACIVSA-N 2 1 334.895 3.785 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000296033179 1021240018 /nfs/dbraw/zinc/24/00/18/1021240018.db2.gz SZANTPSVAQVRGF-CCNLRDMRSA-N 2 1 332.488 3.760 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000507487625 1021302487 /nfs/dbraw/zinc/30/24/87/1021302487.db2.gz RPPHKNOOTJPYBK-QGZVFWFLSA-N 2 1 349.485 3.503 20 0 EHADMP Brc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785516 1021336836 /nfs/dbraw/zinc/33/68/36/1021336836.db2.gz LGESRJJCMAASAQ-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783872 1021337503 /nfs/dbraw/zinc/33/75/03/1021337503.db2.gz VMJZCAYGNCUJQB-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP C[C@H]1C[C@@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]1 ZINC000656788100 1021348896 /nfs/dbraw/zinc/34/88/96/1021348896.db2.gz BKYCGAGCSYCSQW-GJZGRUSLSA-N 2 1 327.497 3.556 20 0 EHADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699541 1021440847 /nfs/dbraw/zinc/44/08/47/1021440847.db2.gz YXYCSOUSYQSDSE-HNAYVOBHSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699541 1021440858 /nfs/dbraw/zinc/44/08/58/1021440858.db2.gz YXYCSOUSYQSDSE-HNAYVOBHSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699541 1021440866 /nfs/dbraw/zinc/44/08/66/1021440866.db2.gz YXYCSOUSYQSDSE-HNAYVOBHSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699541 1021440872 /nfs/dbraw/zinc/44/08/72/1021440872.db2.gz YXYCSOUSYQSDSE-HNAYVOBHSA-N 2 1 336.882 3.970 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000581674715 1021442907 /nfs/dbraw/zinc/44/29/07/1021442907.db2.gz SHGFWSMYGOMZAU-VQIMIIECSA-N 2 1 340.467 3.586 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000581674715 1021442915 /nfs/dbraw/zinc/44/29/15/1021442915.db2.gz SHGFWSMYGOMZAU-VQIMIIECSA-N 2 1 340.467 3.586 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1O ZINC000426406219 1021497117 /nfs/dbraw/zinc/49/71/17/1021497117.db2.gz OQZRYRJBMRYEAM-ULQDDVLXSA-N 2 1 334.504 3.574 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1O ZINC000426406219 1021497124 /nfs/dbraw/zinc/49/71/24/1021497124.db2.gz OQZRYRJBMRYEAM-ULQDDVLXSA-N 2 1 334.504 3.574 20 0 EHADMP COCC(C)(C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000426410382 1021520273 /nfs/dbraw/zinc/52/02/73/1021520273.db2.gz JAKFWTBBZPRMGL-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000426410382 1021520284 /nfs/dbraw/zinc/52/02/84/1021520284.db2.gz JAKFWTBBZPRMGL-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000426410382 1021520296 /nfs/dbraw/zinc/52/02/96/1021520296.db2.gz JAKFWTBBZPRMGL-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP O[C@H]1CCCC[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519703861 1021617176 /nfs/dbraw/zinc/61/71/76/1021617176.db2.gz LNFXRNQESHMTAK-RTWAWAEBSA-N 2 1 342.527 3.526 20 0 EHADMP Cc1[nH+]ccn1CCS[C@H](C)[C@@H](C)SCCn1cc[nH+]c1C ZINC000276540612 1021678704 /nfs/dbraw/zinc/67/87/04/1021678704.db2.gz HIGLJYAMSCYAQP-ZIAGYGMSSA-N 2 1 338.546 3.640 20 0 EHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070660 1022095234 /nfs/dbraw/zinc/09/52/34/1022095234.db2.gz JRAUYMIBBVALAZ-GFCCVEGCSA-N 2 1 331.287 3.884 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000449679333 1033028742 /nfs/dbraw/zinc/02/87/42/1033028742.db2.gz DKDMETJOSSTLKI-MLNNCEHLSA-N 2 1 342.527 3.693 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000926204691 1022201562 /nfs/dbraw/zinc/20/15/62/1022201562.db2.gz UFLFEPOPFQIFMH-UHFFFAOYSA-N 2 1 331.304 3.606 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385156 1022204760 /nfs/dbraw/zinc/20/47/60/1022204760.db2.gz CLMGIAWALICSJD-UYAOXDASSA-N 2 1 342.527 3.750 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385156 1022204769 /nfs/dbraw/zinc/20/47/69/1022204769.db2.gz CLMGIAWALICSJD-UYAOXDASSA-N 2 1 342.527 3.750 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385156 1022204780 /nfs/dbraw/zinc/20/47/80/1022204780.db2.gz CLMGIAWALICSJD-UYAOXDASSA-N 2 1 342.527 3.750 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414916082 1022205259 /nfs/dbraw/zinc/20/52/59/1022205259.db2.gz NRVKQTIMMMXHFP-CYBMUJFWSA-N 2 1 327.453 3.788 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187766279 1022236974 /nfs/dbraw/zinc/23/69/74/1022236974.db2.gz NPPBSLJWSUWFHW-FGZHOGPDSA-N 2 1 343.559 3.504 20 0 EHADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000473912195 1022269914 /nfs/dbraw/zinc/26/99/14/1022269914.db2.gz NBWRXDPSXJMFBH-GKJHBJHPSA-N 2 1 342.527 3.754 20 0 EHADMP Cc1cccc(N2CCC([NH2+]C[C@H](C)c3ccc(F)cc3)CC2)[nH+]1 ZINC000438194281 1022465796 /nfs/dbraw/zinc/46/57/96/1022465796.db2.gz WNVPDBBALJVGEP-HNNXBMFYSA-N 2 1 327.447 3.891 20 0 EHADMP c1ccc(COC[C@@H]2CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995851 1022503182 /nfs/dbraw/zinc/50/31/82/1022503182.db2.gz SFLBGMSPVUPGEE-FFSRPXEDSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(COC[C@@H]2CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995851 1022503188 /nfs/dbraw/zinc/50/31/88/1022503188.db2.gz SFLBGMSPVUPGEE-FFSRPXEDSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(COC[C@@H]2CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167995851 1022503192 /nfs/dbraw/zinc/50/31/92/1022503192.db2.gz SFLBGMSPVUPGEE-FFSRPXEDSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(COC[C@@H]2CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167995851 1022503203 /nfs/dbraw/zinc/50/32/03/1022503203.db2.gz SFLBGMSPVUPGEE-FFSRPXEDSA-N 2 1 340.511 3.683 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000638955509 1022543811 /nfs/dbraw/zinc/54/38/11/1022543811.db2.gz DDJYYIHTHOLRES-SFFNPBHPSA-N 2 1 328.500 3.759 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000638955509 1022543823 /nfs/dbraw/zinc/54/38/23/1022543823.db2.gz DDJYYIHTHOLRES-SFFNPBHPSA-N 2 1 328.500 3.759 20 0 EHADMP COc1ccc(F)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000550174123 1022642636 /nfs/dbraw/zinc/64/26/36/1022642636.db2.gz CAPJPHBIKIYSDD-APWZRJJASA-N 2 1 342.458 3.977 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000165338890 1023072310 /nfs/dbraw/zinc/07/23/10/1023072310.db2.gz XCDUZQPTWZXXLW-HOTGVXAUSA-N 2 1 344.478 3.702 20 0 EHADMP CC[NH+](CC)Cc1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000341730672 1023204212 /nfs/dbraw/zinc/20/42/12/1023204212.db2.gz NWDYZUHBODRUIC-UHFFFAOYSA-N 2 1 348.288 3.720 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071518 1023206808 /nfs/dbraw/zinc/20/68/08/1023206808.db2.gz UXMNKSUIYCNHCR-NEPJUHHUSA-N 2 1 336.867 3.541 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071518 1023206816 /nfs/dbraw/zinc/20/68/16/1023206816.db2.gz UXMNKSUIYCNHCR-NEPJUHHUSA-N 2 1 336.867 3.541 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000090252168 1023257586 /nfs/dbraw/zinc/25/75/86/1023257586.db2.gz TWXDNZYJGBBEOF-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000439089106 1023265026 /nfs/dbraw/zinc/26/50/26/1023265026.db2.gz VSKCYGOSVFVQRA-HOTGVXAUSA-N 2 1 347.503 3.569 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000439089106 1023265032 /nfs/dbraw/zinc/26/50/32/1023265032.db2.gz VSKCYGOSVFVQRA-HOTGVXAUSA-N 2 1 347.503 3.569 20 0 EHADMP Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c2cc(F)ccc2[nH+]1 ZINC000132570064 1023268192 /nfs/dbraw/zinc/26/81/92/1023268192.db2.gz ADGHWWPPRANRDP-OAHLLOKOSA-N 2 1 338.430 3.875 20 0 EHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535811437 1023653209 /nfs/dbraw/zinc/65/32/09/1023653209.db2.gz GCEVVLINQYMENC-UHFFFAOYSA-N 2 1 334.552 3.807 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccnc2cc(Br)ccc21 ZINC000443509115 1024069511 /nfs/dbraw/zinc/06/95/11/1024069511.db2.gz JVYZIACAAXVBGO-VXGBXAGGSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443509115 1024069529 /nfs/dbraw/zinc/06/95/29/1024069529.db2.gz JVYZIACAAXVBGO-VXGBXAGGSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443509115 1024069544 /nfs/dbraw/zinc/06/95/44/1024069544.db2.gz JVYZIACAAXVBGO-VXGBXAGGSA-N 2 1 334.261 3.526 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342113974 1024099148 /nfs/dbraw/zinc/09/91/48/1024099148.db2.gz WMTFVADNHUKECF-IAOVAPTHSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342113974 1024099169 /nfs/dbraw/zinc/09/91/69/1024099169.db2.gz WMTFVADNHUKECF-IAOVAPTHSA-N 2 1 331.460 3.508 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@]3(CCOC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168046526 1024136868 /nfs/dbraw/zinc/13/68/68/1024136868.db2.gz NSCZPNJWZCPFKU-KNKQGSTJSA-N 2 1 342.527 3.931 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773730 1033192036 /nfs/dbraw/zinc/19/20/36/1033192036.db2.gz NPGPVHOMZSZMNA-VQIMIIECSA-N 2 1 336.907 3.677 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773729 1033192496 /nfs/dbraw/zinc/19/24/96/1033192496.db2.gz NPGPVHOMZSZMNA-QFBILLFUSA-N 2 1 336.907 3.677 20 0 EHADMP Cc1ncc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC001168004930 1024274753 /nfs/dbraw/zinc/27/47/53/1024274753.db2.gz CANUIBPODVDSHN-GJZGRUSLSA-N 2 1 329.513 3.983 20 0 EHADMP CC1(C)CC[NH+](CCC[N@H+]2CCSC(C)(C)CC2)CCS1 ZINC000434711796 1024314849 /nfs/dbraw/zinc/31/48/49/1024314849.db2.gz RSADTJCYMLTQRF-UHFFFAOYSA-N 2 1 330.607 3.812 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000389116034 1024333565 /nfs/dbraw/zinc/33/35/65/1024333565.db2.gz QOXPKNJCWSBTEX-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c1 ZINC000342184566 1024354448 /nfs/dbraw/zinc/35/44/48/1024354448.db2.gz CPWGFRWVDFBQOB-UHFFFAOYSA-N 2 1 342.483 3.754 20 0 EHADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006575 1024424082 /nfs/dbraw/zinc/42/40/82/1024424082.db2.gz NRMVYUWRENZUPY-CEQLMSFQSA-N 3 1 329.532 3.504 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000280893193 1024438354 /nfs/dbraw/zinc/43/83/54/1024438354.db2.gz NYCVAWDPXNJWPB-HZPDHXFCSA-N 2 1 345.487 3.771 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000280893186 1024438610 /nfs/dbraw/zinc/43/86/10/1024438610.db2.gz NYCVAWDPXNJWPB-CVEARBPZSA-N 2 1 345.487 3.771 20 0 EHADMP Cc1noc(C)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280992056 1024502657 /nfs/dbraw/zinc/50/26/57/1024502657.db2.gz LXXMONKBCHSOBQ-UHFFFAOYSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000895116672 1024543796 /nfs/dbraw/zinc/54/37/96/1024543796.db2.gz VIAOMKLMZBFVOG-CTNGQTDRSA-N 2 1 340.515 3.516 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000895116672 1024543802 /nfs/dbraw/zinc/54/38/02/1024543802.db2.gz VIAOMKLMZBFVOG-CTNGQTDRSA-N 2 1 340.515 3.516 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137202320 1024554853 /nfs/dbraw/zinc/55/48/53/1024554853.db2.gz YTPSAMRQSLIOCR-JTQLQIEISA-N 2 1 331.685 3.662 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000346269095 1024590226 /nfs/dbraw/zinc/59/02/26/1024590226.db2.gz BTXXZNNQCDXOHW-INIZCTEOSA-N 2 1 334.261 3.791 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000346269095 1024590233 /nfs/dbraw/zinc/59/02/33/1024590233.db2.gz BTXXZNNQCDXOHW-INIZCTEOSA-N 2 1 334.261 3.791 20 0 EHADMP CC(C)C[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000474276472 1024681385 /nfs/dbraw/zinc/68/13/85/1024681385.db2.gz RNAXROWYOICCRO-HXUWFJFHSA-N 2 1 332.532 3.595 20 0 EHADMP CCC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC001168031723 1024681852 /nfs/dbraw/zinc/68/18/52/1024681852.db2.gz BQPZEFXJYMVWAH-OPVJXMOQSA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H]2CCC[C@@H]21 ZINC000514878221 1024820306 /nfs/dbraw/zinc/82/03/06/1024820306.db2.gz VAPOEQPDGNTSRW-ACRUOGEOSA-N 2 1 342.527 3.788 20 0 EHADMP CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435391390 1024876834 /nfs/dbraw/zinc/87/68/34/1024876834.db2.gz DZNMEBHWFZRERG-FQEVSTJZSA-N 2 1 339.483 3.625 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639174433 1024923506 /nfs/dbraw/zinc/92/35/06/1024923506.db2.gz AZQJYDCPWFBCBA-UHFFFAOYSA-N 2 1 330.382 3.540 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639174433 1024923513 /nfs/dbraw/zinc/92/35/13/1024923513.db2.gz AZQJYDCPWFBCBA-UHFFFAOYSA-N 2 1 330.382 3.540 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034809 1024940992 /nfs/dbraw/zinc/94/09/92/1024940992.db2.gz ORMQZROMEUEYIS-BSIFCXSSSA-N 2 1 349.478 3.684 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034809 1024940995 /nfs/dbraw/zinc/94/09/95/1024940995.db2.gz ORMQZROMEUEYIS-BSIFCXSSSA-N 2 1 349.478 3.684 20 0 EHADMP C[C@H]1CC([NH2+]CCCCC[NH+](C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168011516 1024992745 /nfs/dbraw/zinc/99/27/45/1024992745.db2.gz PBAJIKYZNNQKAV-OALUTQOASA-N 2 1 331.548 3.750 20 0 EHADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256617 1025002717 /nfs/dbraw/zinc/00/27/17/1025002717.db2.gz HEVVUAUFBLEUOT-NSISKUIASA-N 2 1 344.524 3.813 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281411632 1025013899 /nfs/dbraw/zinc/01/38/99/1025013899.db2.gz YFTULDJTWQHQJQ-UHFFFAOYSA-N 2 1 341.503 3.685 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942289 1025017981 /nfs/dbraw/zinc/01/79/81/1025017981.db2.gz XDZRXUSFQCGXRR-SXLOBPIMSA-N 2 1 348.531 3.873 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000474480718 1025035569 /nfs/dbraw/zinc/03/55/69/1025035569.db2.gz SHKDNVOLKPNUDL-ZHALLVOQSA-N 2 1 348.531 3.906 20 0 EHADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000665259054 1025043889 /nfs/dbraw/zinc/04/38/89/1025043889.db2.gz SZANOQHMHJFZSR-OKEQZYBDSA-N 2 1 326.406 3.685 20 0 EHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1OC ZINC000474490886 1025060082 /nfs/dbraw/zinc/06/00/82/1025060082.db2.gz PHUOWTVQOOTZEA-JKSUJKDBSA-N 2 1 334.504 3.660 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012484 1025109886 /nfs/dbraw/zinc/10/98/86/1025109886.db2.gz AVZZDVYRJJYBMC-HNJRGHQBSA-N 2 1 330.516 3.975 20 0 EHADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428242439 1025151778 /nfs/dbraw/zinc/15/17/78/1025151778.db2.gz SRWDSCYLZSUPLP-CIAFKFPVSA-N 2 1 344.543 3.674 20 0 EHADMP CCOc1cccc2cc([C@H](C)[NH2+]CCCc3c[nH+]cn3C)oc21 ZINC000582070859 1025172987 /nfs/dbraw/zinc/17/29/87/1025172987.db2.gz ZYXYEJWKYHFMOE-AWEZNQCLSA-N 2 1 327.428 3.848 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897966999 1033264211 /nfs/dbraw/zinc/26/42/11/1033264211.db2.gz IUNDSWFFBXUENL-NQSCKRDGSA-N 2 1 335.495 3.970 20 0 EHADMP CC(C)[C@H](C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000474596941 1025181109 /nfs/dbraw/zinc/18/11/09/1025181109.db2.gz HWYWSVGWPSUYAH-ZVDOUQERSA-N 2 1 332.532 3.905 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897966999 1033264227 /nfs/dbraw/zinc/26/42/27/1033264227.db2.gz IUNDSWFFBXUENL-NQSCKRDGSA-N 2 1 335.495 3.970 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)CCC(C)C)C2)s1 ZINC000521052428 1025183266 /nfs/dbraw/zinc/18/32/66/1025183266.db2.gz WAHVWSBPSKJFGS-ZWKOTPCHSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CCC(C)C)C2)s1 ZINC000521052428 1025183274 /nfs/dbraw/zinc/18/32/74/1025183274.db2.gz WAHVWSBPSKJFGS-ZWKOTPCHSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CCC(C)C)C2)s1 ZINC000521052428 1025183283 /nfs/dbraw/zinc/18/32/83/1025183283.db2.gz WAHVWSBPSKJFGS-ZWKOTPCHSA-N 2 1 338.561 3.607 20 0 EHADMP CC(C)Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC001168284897 1033268729 /nfs/dbraw/zinc/26/87/29/1033268729.db2.gz PHKYOJYHNOKJJN-NJDAHSKKSA-N 2 1 330.516 3.569 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000474637134 1025257371 /nfs/dbraw/zinc/25/73/71/1025257371.db2.gz WHNMROYUYHBUAF-LNLFQRSKSA-N 2 1 336.545 3.755 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000474637134 1025257373 /nfs/dbraw/zinc/25/73/73/1025257373.db2.gz WHNMROYUYHBUAF-LNLFQRSKSA-N 2 1 336.545 3.755 20 0 EHADMP C[C@@H]1CC([N@H+]2CCCC[C@@](O)(CF)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039924 1025268354 /nfs/dbraw/zinc/26/83/54/1025268354.db2.gz IRRSMTAGFVKNFY-DBXWQHBBSA-N 2 1 348.506 3.615 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012372 1025409174 /nfs/dbraw/zinc/40/91/74/1025409174.db2.gz HLYVQWOKBAQXDE-SJLPKXTDSA-N 2 1 334.467 3.585 20 0 EHADMP CCCCCc1ccc([C@@H](CC)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290685 1025430788 /nfs/dbraw/zinc/43/07/88/1025430788.db2.gz HFALTNUNROPEHN-GOSISDBHSA-N 2 1 342.487 3.615 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1[NH3+] ZINC000347054535 1025449139 /nfs/dbraw/zinc/44/91/39/1025449139.db2.gz TWBWJMYZUQKMEU-MGPUTAFESA-N 2 1 328.431 3.574 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1[NH3+] ZINC000347054536 1025449225 /nfs/dbraw/zinc/44/92/25/1025449225.db2.gz TWBWJMYZUQKMEU-QRWLVFNGSA-N 2 1 328.431 3.574 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000347059466 1025455821 /nfs/dbraw/zinc/45/58/21/1025455821.db2.gz XDDCSJPICHNXKV-AEFFLSMTSA-N 2 1 325.456 3.742 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530214889 1025509774 /nfs/dbraw/zinc/50/97/74/1025509774.db2.gz DJGSCGLNUPBJRX-NXEZZACHSA-N 2 1 333.220 3.520 20 0 EHADMP Clc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000530240085 1025527897 /nfs/dbraw/zinc/52/78/97/1025527897.db2.gz XMRHLUVDEZQBLK-HNNXBMFYSA-N 2 1 343.298 3.584 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000280870605 1025573118 /nfs/dbraw/zinc/57/31/18/1025573118.db2.gz DCQRMWSCJXOAHR-IBGZPJMESA-N 2 1 338.499 3.623 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314443 1025574478 /nfs/dbraw/zinc/57/44/78/1025574478.db2.gz NNSJCXDZWWSHGI-ZFZWDLNGSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314443 1025574492 /nfs/dbraw/zinc/57/44/92/1025574492.db2.gz NNSJCXDZWWSHGI-ZFZWDLNGSA-N 2 1 326.406 3.881 20 0 EHADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000639375926 1025588919 /nfs/dbraw/zinc/58/89/19/1025588919.db2.gz LDBIKQILKXFGEX-UHFFFAOYSA-N 2 1 344.528 3.774 20 0 EHADMP Cc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c(C)[nH+]1 ZINC000521703475 1025610875 /nfs/dbraw/zinc/61/08/75/1025610875.db2.gz UYHYLNLXOIUZGL-FQEVSTJZSA-N 2 1 340.467 3.677 20 0 EHADMP CC[C@H](C)[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000443004855 1025657391 /nfs/dbraw/zinc/65/73/91/1025657391.db2.gz TYNXVSAVTZHXES-WMLDXEAASA-N 2 1 328.460 3.768 20 0 EHADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000282030587 1025668050 /nfs/dbraw/zinc/66/80/50/1025668050.db2.gz KWIMHVRAQOBFEA-OAHLLOKOSA-N 2 1 330.501 3.672 20 0 EHADMP COC/C(C)=C\C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167558100 1025673843 /nfs/dbraw/zinc/67/38/43/1025673843.db2.gz GLJDJDKDNJCOHG-WQLLJXGDSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C\C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167558100 1025673852 /nfs/dbraw/zinc/67/38/52/1025673852.db2.gz GLJDJDKDNJCOHG-WQLLJXGDSA-N 2 1 328.500 3.567 20 0 EHADMP COC/C(C)=C\C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167558100 1025673859 /nfs/dbraw/zinc/67/38/59/1025673859.db2.gz GLJDJDKDNJCOHG-WQLLJXGDSA-N 2 1 328.500 3.567 20 0 EHADMP COCc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000657387091 1025783725 /nfs/dbraw/zinc/78/37/25/1025783725.db2.gz PXCKFVWWIVZYQQ-UZLBHIALSA-N 2 1 344.524 3.895 20 0 EHADMP COCc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000657387091 1025783741 /nfs/dbraw/zinc/78/37/41/1025783741.db2.gz PXCKFVWWIVZYQQ-UZLBHIALSA-N 2 1 344.524 3.895 20 0 EHADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCCC2)ccc1OC(F)F ZINC000548721978 1025788409 /nfs/dbraw/zinc/78/84/09/1025788409.db2.gz WXDJDIVKEKDCRV-UHFFFAOYSA-N 2 1 342.430 3.604 20 0 EHADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCCC2)ccc1OC(F)F ZINC000548721978 1025788424 /nfs/dbraw/zinc/78/84/24/1025788424.db2.gz WXDJDIVKEKDCRV-UHFFFAOYSA-N 2 1 342.430 3.604 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(C)C ZINC000582300951 1025795570 /nfs/dbraw/zinc/79/55/70/1025795570.db2.gz LJOLCIRARWLNHF-UFYCRDLUSA-N 2 1 330.516 3.569 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(C)C ZINC000582300951 1025795586 /nfs/dbraw/zinc/79/55/86/1025795586.db2.gz LJOLCIRARWLNHF-UFYCRDLUSA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000474939642 1025900864 /nfs/dbraw/zinc/90/08/64/1025900864.db2.gz BGSSNRGKOJORSV-JRGCBEDISA-N 2 1 330.516 3.558 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000474942947 1025908256 /nfs/dbraw/zinc/90/82/56/1025908256.db2.gz MNNNBCHMONVVAK-GOSISDBHSA-N 2 1 326.488 3.535 20 0 EHADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)[C@H](c2ccccc2)C1 ZINC000647249095 1025967547 /nfs/dbraw/zinc/96/75/47/1025967547.db2.gz AWIUZKVESDLTOF-MJGOQNOKSA-N 2 1 341.524 3.846 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)[C@H](c2ccccc2)C1 ZINC000647249095 1025967562 /nfs/dbraw/zinc/96/75/62/1025967562.db2.gz AWIUZKVESDLTOF-MJGOQNOKSA-N 2 1 341.524 3.846 20 0 EHADMP Cc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000530713949 1026222264 /nfs/dbraw/zinc/22/22/64/1026222264.db2.gz SQNNELSNYGUKRW-UHFFFAOYSA-N 2 1 343.559 3.623 20 0 EHADMP Cc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000530713949 1026222276 /nfs/dbraw/zinc/22/22/76/1026222276.db2.gz SQNNELSNYGUKRW-UHFFFAOYSA-N 3 1 343.559 3.623 20 0 EHADMP Cc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000530713949 1026222293 /nfs/dbraw/zinc/22/22/93/1026222293.db2.gz SQNNELSNYGUKRW-UHFFFAOYSA-N 3 1 343.559 3.623 20 0 EHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)s1 ZINC000563354332 1026243495 /nfs/dbraw/zinc/24/34/95/1026243495.db2.gz QSNROZAWRFXVDP-SNVBAGLBSA-N 2 1 328.279 3.528 20 0 EHADMP CCN(CCC[NH+](C)C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056653 1026244662 /nfs/dbraw/zinc/24/46/62/1026244662.db2.gz HHHBXNRRYATTPQ-CEQLMSFQSA-N 2 1 331.548 3.702 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+](C)C3CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059647 1026385287 /nfs/dbraw/zinc/38/52/87/1026385287.db2.gz UXANWRXUTOWGJS-GMQQQROESA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@@H]([N@H+](C)C3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059647 1026385296 /nfs/dbraw/zinc/38/52/96/1026385296.db2.gz UXANWRXUTOWGJS-GMQQQROESA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@@H]([N@@H+](C)C3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059647 1026385312 /nfs/dbraw/zinc/38/53/12/1026385312.db2.gz UXANWRXUTOWGJS-GMQQQROESA-N 2 1 341.543 3.597 20 0 EHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451983153 1026421021 /nfs/dbraw/zinc/42/10/21/1026421021.db2.gz GKOMYLVJGGKQSZ-NRFANRHFSA-N 2 1 347.522 3.687 20 0 EHADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451983154 1026422142 /nfs/dbraw/zinc/42/21/42/1026422142.db2.gz GKOMYLVJGGKQSZ-OAQYLSRUSA-N 2 1 347.522 3.687 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1)CC1CC1 ZINC000475328267 1026480267 /nfs/dbraw/zinc/48/02/67/1026480267.db2.gz HMBDJDMASKRGLH-NRFANRHFSA-N 2 1 336.564 3.762 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1ccc(O)cc1 ZINC000531094447 1026564838 /nfs/dbraw/zinc/56/48/38/1026564838.db2.gz DOYNFRVCAFMABM-UHFFFAOYSA-N 2 1 326.484 3.683 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182665823 1026575370 /nfs/dbraw/zinc/57/53/70/1026575370.db2.gz UJXVYIXSQPRUET-DLBZAZTESA-N 2 1 346.515 3.922 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCO3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064618 1026606431 /nfs/dbraw/zinc/60/64/31/1026606431.db2.gz QUMSLEFMLNUDAL-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCO3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064618 1026606438 /nfs/dbraw/zinc/60/64/38/1026606438.db2.gz QUMSLEFMLNUDAL-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP CN(C)c1[nH+]ccc2cc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000452351054 1026686342 /nfs/dbraw/zinc/68/63/42/1026686342.db2.gz DSAOIAUARBVGHM-QGZVFWFLSA-N 2 1 340.471 3.504 20 0 EHADMP CN(C)c1[nH+]ccc2cc(NC(=O)CC[C@H]3CCCC[N@H+]3C)ccc21 ZINC000452351054 1026686347 /nfs/dbraw/zinc/68/63/47/1026686347.db2.gz DSAOIAUARBVGHM-QGZVFWFLSA-N 2 1 340.471 3.504 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)cc1 ZINC000152781267 1026713917 /nfs/dbraw/zinc/71/39/17/1026713917.db2.gz CYRKNOIBCROFIL-MRXNPFEDSA-N 2 1 349.482 3.607 20 0 EHADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954481 1026841497 /nfs/dbraw/zinc/84/14/97/1026841497.db2.gz UOGPLCFFJCHYES-OAQYLSRUSA-N 2 1 335.495 3.756 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]CCc3noc4ccccc34)CC2)cc1 ZINC000657533583 1027013827 /nfs/dbraw/zinc/01/38/27/1027013827.db2.gz JBCOPXOGKBAAHA-UHFFFAOYSA-N 2 1 335.451 3.625 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000125610320 1027098750 /nfs/dbraw/zinc/09/87/50/1027098750.db2.gz NPWPCLMPSUQCGP-ZWKOTPCHSA-N 2 1 343.515 3.586 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000531701138 1027222551 /nfs/dbraw/zinc/22/25/51/1027222551.db2.gz XXNBMYVMMISAII-YVNJGZBMSA-N 2 1 343.559 3.778 20 0 EHADMP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2ncccc12 ZINC000075836299 1027228754 /nfs/dbraw/zinc/22/87/54/1027228754.db2.gz SLHSCBUPNRCXNW-INIZCTEOSA-N 2 1 327.447 3.682 20 0 EHADMP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2ncccc12 ZINC000075836299 1027228770 /nfs/dbraw/zinc/22/87/70/1027228770.db2.gz SLHSCBUPNRCXNW-INIZCTEOSA-N 2 1 327.447 3.682 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000123490597 1027335499 /nfs/dbraw/zinc/33/54/99/1027335499.db2.gz RRIGHBLLQKCFIH-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453142369 1027449358 /nfs/dbraw/zinc/44/93/58/1027449358.db2.gz DDERFAOHEUNDHC-WJMWBRGCSA-N 2 1 344.543 3.816 20 0 EHADMP CC[N@H+](Cc1cncc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000420317512 1027464253 /nfs/dbraw/zinc/46/42/53/1027464253.db2.gz UUGGHHNZIXGEBZ-FQEVSTJZSA-N 2 1 339.483 3.625 20 0 EHADMP CC[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000420317512 1027464264 /nfs/dbraw/zinc/46/42/64/1027464264.db2.gz UUGGHHNZIXGEBZ-FQEVSTJZSA-N 2 1 339.483 3.625 20 0 EHADMP Clc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420340003 1027473669 /nfs/dbraw/zinc/47/36/69/1027473669.db2.gz MIOJDACNTUWHCU-HZPDHXFCSA-N 2 1 345.874 3.817 20 0 EHADMP CC[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000657597011 1027559995 /nfs/dbraw/zinc/55/99/95/1027559995.db2.gz QPXYBSHPASMDIQ-IRLDBZIGSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475547761 1027587401 /nfs/dbraw/zinc/58/74/01/1027587401.db2.gz IDQWSKLCCVOXLF-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000475559834 1027612816 /nfs/dbraw/zinc/61/28/16/1027612816.db2.gz GBBWMECIKDZKDH-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP COc1ccc(CC[N@@H+](CCc2cncn2C)Cc2ccccc2)cc1 ZINC000459326369 1027620269 /nfs/dbraw/zinc/62/02/69/1027620269.db2.gz NDPZCVYJZQGCQX-UHFFFAOYSA-N 2 1 349.478 3.716 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000130646579 1027690381 /nfs/dbraw/zinc/69/03/81/1027690381.db2.gz MPLSGFUZHLHKGS-GUYCJALGSA-N 2 1 332.879 3.645 20 0 EHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000909601944 1027726973 /nfs/dbraw/zinc/72/69/73/1027726973.db2.gz SFIQTVZQVBRFBT-FQEVSTJZSA-N 2 1 343.515 3.792 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc2[nH]ccc21 ZINC000420925446 1027875779 /nfs/dbraw/zinc/87/57/79/1027875779.db2.gz WBJRVXXYJNSJFB-UHFFFAOYSA-N 2 1 349.478 3.632 20 0 EHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc2[nH]ccc21 ZINC000420925446 1027875793 /nfs/dbraw/zinc/87/57/93/1027875793.db2.gz WBJRVXXYJNSJFB-UHFFFAOYSA-N 2 1 349.478 3.632 20 0 EHADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420926428 1027876051 /nfs/dbraw/zinc/87/60/51/1027876051.db2.gz YFGCPSYGHAOWSB-QGZVFWFLSA-N 2 1 344.421 3.585 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC000420985194 1027941700 /nfs/dbraw/zinc/94/17/00/1027941700.db2.gz VUHKYQRGBHAURF-QFIPXVFZSA-N 2 1 341.543 3.556 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccccc3C)CC2)CC1 ZINC000420982535 1027942584 /nfs/dbraw/zinc/94/25/84/1027942584.db2.gz PEEFSMYLNLABJH-LJQANCHMSA-N 2 1 329.532 3.548 20 0 EHADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc21 ZINC000422837835 1027976979 /nfs/dbraw/zinc/97/69/79/1027976979.db2.gz NBKXIVYWPFRYJO-YSGRDPCXSA-N 2 1 341.524 3.695 20 0 EHADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132903204 1027977389 /nfs/dbraw/zinc/97/73/89/1027977389.db2.gz ITPWBNKNKZYBDY-SJORKVTESA-N 2 1 348.556 3.950 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422839868 1027980625 /nfs/dbraw/zinc/98/06/25/1027980625.db2.gz AKPOGUQAIQDFMM-VHSSKADRSA-N 2 1 330.472 3.911 20 0 EHADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422881379 1028013416 /nfs/dbraw/zinc/01/34/16/1028013416.db2.gz QMGGMDKSQCFJLE-PMACEKPBSA-N 2 1 349.950 3.802 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422887365 1028022834 /nfs/dbraw/zinc/02/28/34/1028022834.db2.gz KSCNEUWQIQIARN-GHTZIAJQSA-N 2 1 348.494 3.537 20 0 EHADMP CCOCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC1 ZINC000422937036 1028064515 /nfs/dbraw/zinc/06/45/15/1028064515.db2.gz JBGPFCRPMWVYTG-WOJBJXKFSA-N 2 1 346.515 3.675 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967718 1028078402 /nfs/dbraw/zinc/07/84/02/1028078402.db2.gz CGXCZTRMNNMVHU-WJFTUGDTSA-N 2 1 333.520 3.563 20 0 EHADMP [NH3+][C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000422966128 1028078992 /nfs/dbraw/zinc/07/89/92/1028078992.db2.gz QRFWMIUWUVTRGJ-QYZOEREBSA-N 2 1 325.456 3.541 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967716 1028080346 /nfs/dbraw/zinc/08/03/46/1028080346.db2.gz CGXCZTRMNNMVHU-NCXUSEDFSA-N 2 1 333.520 3.563 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000502289923 1028089374 /nfs/dbraw/zinc/08/93/74/1028089374.db2.gz XUJJFIUFILRPMI-UXDRXVOSSA-N 2 1 346.515 3.548 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000502289923 1028089392 /nfs/dbraw/zinc/08/93/92/1028089392.db2.gz XUJJFIUFILRPMI-UXDRXVOSSA-N 2 1 346.515 3.548 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)CC[NH2+]1 ZINC000414708709 1028110299 /nfs/dbraw/zinc/11/02/99/1028110299.db2.gz PAZBHUHANSPIAB-NEPJUHHUSA-N 2 1 343.334 3.863 20 0 EHADMP Clc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000423025015 1028137084 /nfs/dbraw/zinc/13/70/84/1028137084.db2.gz NEGBLYFNUDTYGE-WMWLNJEOSA-N 2 1 341.886 3.891 20 0 EHADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CCCC2)cc1 ZINC000423042217 1028149672 /nfs/dbraw/zinc/14/96/72/1028149672.db2.gz KOCDWRJDMUPYLL-PWRODBHTSA-N 2 1 342.527 3.536 20 0 EHADMP C[C@H]([NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1)c1c[nH+]ccc1N ZINC000423055901 1028151671 /nfs/dbraw/zinc/15/16/71/1028151671.db2.gz DYIUNOLKDJYZGI-LBPRGKRZSA-N 2 1 335.373 3.895 20 0 EHADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CCCC1)c1c[nH+]ccc1N ZINC000423063334 1028156330 /nfs/dbraw/zinc/15/63/30/1028156330.db2.gz OUEMNNAZECNLOW-ZDUSSCGKSA-N 2 1 331.410 3.935 20 0 EHADMP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423076179 1028162781 /nfs/dbraw/zinc/16/27/81/1028162781.db2.gz YILNZWITKIKUNS-USXIJHARSA-N 2 1 328.456 3.842 20 0 EHADMP C[C@H]1C[C@@H](NCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000135200520 1028175217 /nfs/dbraw/zinc/17/52/17/1028175217.db2.gz RTBRINPXVILTDQ-GWCFXTLKSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000423115733 1028185017 /nfs/dbraw/zinc/18/50/17/1028185017.db2.gz YPQDDAUBFUSZEH-GRYCIOLGSA-N 2 1 329.257 3.627 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)cc1F ZINC000423117933 1028188829 /nfs/dbraw/zinc/18/88/29/1028188829.db2.gz XWHZCGFIACKKQO-RNVRALISSA-N 2 1 342.458 3.628 20 0 EHADMP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423123827 1028191409 /nfs/dbraw/zinc/19/14/09/1028191409.db2.gz FIFLGNIHTRRNTD-RZFFKMDDSA-N 2 1 340.920 3.526 20 0 EHADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423149279 1028210790 /nfs/dbraw/zinc/21/07/90/1028210790.db2.gz AJZXIKIZCAMCIW-QLFBSQMISA-N 2 1 327.394 3.501 20 0 EHADMP CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000414719453 1028221414 /nfs/dbraw/zinc/22/14/14/1028221414.db2.gz VIMFRVNWVGQGLL-AWEZNQCLSA-N 2 1 331.287 3.966 20 0 EHADMP CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000414719453 1028221429 /nfs/dbraw/zinc/22/14/29/1028221429.db2.gz VIMFRVNWVGQGLL-AWEZNQCLSA-N 2 1 331.287 3.966 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423183724 1028232896 /nfs/dbraw/zinc/23/28/96/1028232896.db2.gz GTNUVGFCKWDCDF-FQEVSTJZSA-N 2 1 339.483 3.682 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CCC(CSC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423159966 1028233702 /nfs/dbraw/zinc/23/37/02/1028233702.db2.gz QDAGVJKSQDHPMJ-LYBGUNNDSA-N 2 1 348.556 4.000 20 0 EHADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000502458261 1028236604 /nfs/dbraw/zinc/23/66/04/1028236604.db2.gz BOFFPFACMLSNIZ-ZQONDGBOSA-N 2 1 344.543 3.938 20 0 EHADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000423208046 1028254138 /nfs/dbraw/zinc/25/41/38/1028254138.db2.gz YLSXZZWBHAPVJF-NSHDSACASA-N 2 1 341.286 3.748 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000423193130 1028261473 /nfs/dbraw/zinc/26/14/73/1028261473.db2.gz WPYDUPMUXLPXHR-AWEZNQCLSA-N 2 1 348.288 3.675 20 0 EHADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423194169 1028263944 /nfs/dbraw/zinc/26/39/44/1028263944.db2.gz WQSIQFIRJBLJGF-DABHTEOTSA-N 2 1 348.918 3.723 20 0 EHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423198866 1028268503 /nfs/dbraw/zinc/26/85/03/1028268503.db2.gz IJBPCSBAQILJIJ-QGZVFWFLSA-N 2 1 326.488 3.634 20 0 EHADMP C[NH2+]CCC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423203223 1028269171 /nfs/dbraw/zinc/26/91/71/1028269171.db2.gz RYSQHZMBQLIMCB-HXUWFJFHSA-N 3 1 335.511 3.578 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](N)c2ccccc2)CC1 ZINC000423234029 1028275248 /nfs/dbraw/zinc/27/52/48/1028275248.db2.gz FJFVDHMIQPDCDC-HRTMPFAESA-N 2 1 337.511 3.719 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423262857 1028300714 /nfs/dbraw/zinc/30/07/14/1028300714.db2.gz NNOMIKKRIPUZFM-CRAIPNDOSA-N 2 1 334.508 3.584 20 0 EHADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423265515 1028301821 /nfs/dbraw/zinc/30/18/21/1028301821.db2.gz BCAZRCZUVDRWGA-WBVHZDCISA-N 2 1 327.497 3.823 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000423264514 1028302334 /nfs/dbraw/zinc/30/23/34/1028302334.db2.gz CCXZYGCCMFUOHB-BLLLJJGKSA-N 2 1 333.501 3.761 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H](C)CC(F)(F)F)sc2C1 ZINC000414515235 1028323546 /nfs/dbraw/zinc/32/35/46/1028323546.db2.gz NAFKRIWWYVZMPP-LLVKDONJSA-N 2 1 335.439 3.588 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H](C)CC(F)(F)F)sc2C1 ZINC000414515235 1028323563 /nfs/dbraw/zinc/32/35/63/1028323563.db2.gz NAFKRIWWYVZMPP-LLVKDONJSA-N 2 1 335.439 3.588 20 0 EHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368399 1028326137 /nfs/dbraw/zinc/32/61/37/1028326137.db2.gz UPJALZJJUNPGHZ-TZIWHRDSSA-N 2 1 342.527 3.572 20 0 EHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368399 1028326152 /nfs/dbraw/zinc/32/61/52/1028326152.db2.gz UPJALZJJUNPGHZ-TZIWHRDSSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000423293134 1028332909 /nfs/dbraw/zinc/33/29/09/1028332909.db2.gz PWAWBUQVKSUAEB-UWVGGRQHSA-N 2 1 340.290 3.776 20 0 EHADMP C[N@@H+](Cc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414730459 1028334099 /nfs/dbraw/zinc/33/40/99/1028334099.db2.gz DMRTVHPXKQJJNM-HXUWFJFHSA-N 2 1 342.458 3.979 20 0 EHADMP C[C@H](C[NH3+])CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423306877 1028344141 /nfs/dbraw/zinc/34/41/41/1028344141.db2.gz MGLMNARTARGTOO-YLJYHZDGSA-N 2 1 335.511 3.563 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc2cc(Br)ccc2o1 ZINC000423408638 1028425408 /nfs/dbraw/zinc/42/54/08/1028425408.db2.gz XTXMCULJFOGNJG-MJVIPROJSA-N 2 1 337.261 3.844 20 0 EHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445501 1028434227 /nfs/dbraw/zinc/43/42/27/1028434227.db2.gz XYEITSIBHHIDMO-FHOOGIDHSA-N 2 1 333.888 3.640 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CCC3)cc1 ZINC000423436035 1028444248 /nfs/dbraw/zinc/44/42/48/1028444248.db2.gz FERLZVTVDOTSGT-TYNCELHUSA-N 2 1 331.485 3.521 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)CCCO2 ZINC000246426239 1028481632 /nfs/dbraw/zinc/48/16/32/1028481632.db2.gz NPTNHKPSFWYECF-XLIONFOSSA-N 2 1 346.515 3.867 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)CCCO2 ZINC000246426239 1028481651 /nfs/dbraw/zinc/48/16/51/1028481651.db2.gz NPTNHKPSFWYECF-XLIONFOSSA-N 2 1 346.515 3.867 20 0 EHADMP CCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)s1 ZINC000423531613 1028485735 /nfs/dbraw/zinc/48/57/35/1028485735.db2.gz SXXRQGQLZMZPFS-LJHBCKPKSA-N 2 1 333.545 3.818 20 0 EHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423533668 1028487191 /nfs/dbraw/zinc/48/71/91/1028487191.db2.gz UEQDYSFQAHUQOY-LRDDRELGSA-N 2 1 330.394 3.796 20 0 EHADMP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)s1 ZINC000423510521 1028487462 /nfs/dbraw/zinc/48/74/62/1028487462.db2.gz MMZAONWORRUNAO-NRXISQOPSA-N 2 1 341.952 3.659 20 0 EHADMP CC(C)C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccn1 ZINC000423517321 1028492116 /nfs/dbraw/zinc/49/21/16/1028492116.db2.gz BNQKBEDJNJBRSA-PIIHOCENSA-N 2 1 327.516 3.912 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000071997648 1028492703 /nfs/dbraw/zinc/49/27/03/1028492703.db2.gz COSDYJRRZSFWKV-CYBMUJFWSA-N 2 1 334.489 3.523 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SC2CCCC2)cc1 ZINC000423524140 1028498042 /nfs/dbraw/zinc/49/80/42/1028498042.db2.gz SLOLNQIJUHAVER-WBVHZDCISA-N 2 1 334.529 3.750 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000511223420 1028499971 /nfs/dbraw/zinc/49/99/71/1028499971.db2.gz QSXYEENTUXFEJO-UHFFFAOYSA-N 2 1 345.531 3.524 20 0 EHADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535434 1028503364 /nfs/dbraw/zinc/50/33/64/1028503364.db2.gz XOTIORBSKWDDTP-AYOQOUSVSA-N 2 1 326.509 3.685 20 0 EHADMP Cc1cc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000423554435 1028514101 /nfs/dbraw/zinc/51/41/01/1028514101.db2.gz HHHVDMGBUJUIQY-KRWDZBQOSA-N 2 1 341.499 3.541 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC[NH2+]1 ZINC000414753646 1028545550 /nfs/dbraw/zinc/54/55/50/1028545550.db2.gz MROJBXVHKCQMGV-SPYBWZPUSA-N 2 1 344.890 3.539 20 0 EHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000523853822 1028661531 /nfs/dbraw/zinc/66/15/31/1028661531.db2.gz VKNFGWIHIHHLBG-XJKSGUPXSA-N 2 1 339.911 3.623 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414763615 1028670060 /nfs/dbraw/zinc/67/00/60/1028670060.db2.gz CVJJITJTQUNACA-LNXRDCKCSA-N 2 1 348.490 3.820 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414763615 1028670069 /nfs/dbraw/zinc/67/00/69/1028670069.db2.gz CVJJITJTQUNACA-LNXRDCKCSA-N 2 1 348.490 3.820 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2sc(C)nc2C)[C@@H](C)C1 ZINC000247038930 1028732110 /nfs/dbraw/zinc/73/21/10/1028732110.db2.gz MPJVWNWGSZEDMP-QRTARXTBSA-N 2 1 339.549 3.548 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCn2cccn2)C1 ZINC000247079979 1028742485 /nfs/dbraw/zinc/74/24/85/1028742485.db2.gz VPDODSOLZFCZPT-UXHICEINSA-N 2 1 332.536 3.640 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000247079979 1028742494 /nfs/dbraw/zinc/74/24/94/1028742494.db2.gz VPDODSOLZFCZPT-UXHICEINSA-N 2 1 332.536 3.640 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000247079979 1028742504 /nfs/dbraw/zinc/74/25/04/1028742504.db2.gz VPDODSOLZFCZPT-UXHICEINSA-N 2 1 332.536 3.640 20 0 EHADMP COc1ccc(CC[N@@H+](CC[C@H]2CCC[NH+]2C)CC(C)C)cc1OC ZINC000502887925 1028784884 /nfs/dbraw/zinc/78/48/84/1028784884.db2.gz KIXGYJVOFGBJRG-LJQANCHMSA-N 2 1 348.531 3.689 20 0 EHADMP COc1ccc(CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC(C)C)cc1OC ZINC000502887925 1028784895 /nfs/dbraw/zinc/78/48/95/1028784895.db2.gz KIXGYJVOFGBJRG-LJQANCHMSA-N 2 1 348.531 3.689 20 0 EHADMP COc1ccc(CC[NH+](CC[C@H]2CCC[N@H+]2C)CC(C)C)cc1OC ZINC000502887925 1028784911 /nfs/dbraw/zinc/78/49/11/1028784911.db2.gz KIXGYJVOFGBJRG-LJQANCHMSA-N 2 1 348.531 3.689 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000421863424 1028857140 /nfs/dbraw/zinc/85/71/40/1028857140.db2.gz WMHMHXAHJDPBHH-KWJLTHHISA-N 2 1 330.516 3.977 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777361 1028862944 /nfs/dbraw/zinc/86/29/44/1028862944.db2.gz IDCZAKKYXFVEQS-RTBURBONSA-N 2 1 339.458 3.709 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000248440772 1028903054 /nfs/dbraw/zinc/90/30/54/1028903054.db2.gz JSKAVYZWUASZOO-DLBZAZTESA-N 2 1 331.504 3.808 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248456508 1028910535 /nfs/dbraw/zinc/91/05/35/1028910535.db2.gz SHWBLCZHTZYMCX-BXWFABGCSA-N 2 1 343.515 3.949 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248457009 1028911726 /nfs/dbraw/zinc/91/17/26/1028911726.db2.gz SRZXEHDYBNBACY-GCJKJVERSA-N 2 1 338.495 3.803 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[C@H](C4CC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000897500357 1028921489 /nfs/dbraw/zinc/92/14/89/1028921489.db2.gz FYXHLIUDESZNIG-RYFAJOAYSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[C@H](C4CC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000897500357 1028921492 /nfs/dbraw/zinc/92/14/92/1028921492.db2.gz FYXHLIUDESZNIG-RYFAJOAYSA-N 2 1 340.511 3.902 20 0 EHADMP CC(C)C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414779853 1028924509 /nfs/dbraw/zinc/92/45/09/1028924509.db2.gz KRYVHHCUMDHGII-VQTJNVASSA-N 2 1 330.516 3.504 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1c(F)cccc1Br)CC[NH2+]CC2 ZINC000424301670 1028940859 /nfs/dbraw/zinc/94/08/59/1028940859.db2.gz XZIZLHKRKHMKHA-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000245630128 1028942568 /nfs/dbraw/zinc/94/25/68/1028942568.db2.gz SDVFECCXPKVTHJ-AQNXPRMDSA-N 2 1 328.500 3.576 20 0 EHADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424279669 1028951412 /nfs/dbraw/zinc/95/14/12/1028951412.db2.gz GGCPZNMWBWNSJL-LJQANCHMSA-N 2 1 341.474 3.600 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424281362 1028952688 /nfs/dbraw/zinc/95/26/88/1028952688.db2.gz NFBSLTLDPIEIEF-ORGZWQDUSA-N 2 1 342.527 3.690 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000249301789 1029012387 /nfs/dbraw/zinc/01/23/87/1029012387.db2.gz SHTIRJZUTRTSNK-IFMALSPDSA-N 2 1 343.559 3.528 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117350 1029062364 /nfs/dbraw/zinc/06/23/64/1029062364.db2.gz ZSWVPKFMYYUTFV-DLBZAZTESA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117350 1029062384 /nfs/dbraw/zinc/06/23/84/1029062384.db2.gz ZSWVPKFMYYUTFV-DLBZAZTESA-N 2 1 336.907 3.915 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117350 1029062396 /nfs/dbraw/zinc/06/23/96/1029062396.db2.gz ZSWVPKFMYYUTFV-DLBZAZTESA-N 2 1 336.907 3.915 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789275 1029079071 /nfs/dbraw/zinc/07/90/71/1029079071.db2.gz YINIJLNWGTWFFQ-QZTJIDSGSA-N 2 1 341.524 3.940 20 0 EHADMP c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790346 1029085541 /nfs/dbraw/zinc/08/55/41/1029085541.db2.gz ZQAWSFFIPFGRDR-IRXDYDNUSA-N 2 1 327.497 3.632 20 0 EHADMP CC[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936726 1029090719 /nfs/dbraw/zinc/09/07/19/1029090719.db2.gz KILFXNOPNAAYNC-CZUORRHYSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744468 1029228090 /nfs/dbraw/zinc/22/80/90/1029228090.db2.gz SGHKFTQKYUWOCH-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744468 1029228101 /nfs/dbraw/zinc/22/81/01/1029228101.db2.gz SGHKFTQKYUWOCH-UVUJQTEASA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000245744468 1029228111 /nfs/dbraw/zinc/22/81/11/1029228111.db2.gz SGHKFTQKYUWOCH-UVUJQTEASA-N 3 1 341.543 3.504 20 0 EHADMP CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245767920 1029265063 /nfs/dbraw/zinc/26/50/63/1029265063.db2.gz WSOJWQMYTRJWCZ-PLACYPQZSA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)([NH3+])C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414811317 1029304075 /nfs/dbraw/zinc/30/40/75/1029304075.db2.gz ZFTOAWGKYSZLDN-UHFFFAOYSA-N 2 1 334.895 3.785 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000414814585 1029335332 /nfs/dbraw/zinc/33/53/32/1029335332.db2.gz ODJHSZAUTCISCZ-LLVKDONJSA-N 2 1 337.236 3.898 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816559 1029368103 /nfs/dbraw/zinc/36/81/03/1029368103.db2.gz PZSRDSDEHGFYQX-SPEDKVCISA-N 3 1 337.511 3.849 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816559 1029368119 /nfs/dbraw/zinc/36/81/19/1029368119.db2.gz PZSRDSDEHGFYQX-SPEDKVCISA-N 3 1 337.511 3.849 20 0 EHADMP C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272235457 1029373744 /nfs/dbraw/zinc/37/37/44/1029373744.db2.gz VNJOISGKLXNSKK-AVRDEDQJSA-N 2 1 348.490 3.963 20 0 EHADMP CCC1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000583254805 1029427686 /nfs/dbraw/zinc/42/76/86/1029427686.db2.gz LXHMVAMPRCKZIC-UHFFFAOYSA-N 2 1 332.532 3.941 20 0 EHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261538272 1029448009 /nfs/dbraw/zinc/44/80/09/1029448009.db2.gz VAZJTGLSUWRUGD-RXVVDRJESA-N 2 1 329.532 3.551 20 0 EHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000583257518 1029448063 /nfs/dbraw/zinc/44/80/63/1029448063.db2.gz UCXXYUQKKOMPDL-SIHWBGBFSA-N 2 1 338.451 3.749 20 0 EHADMP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261539157 1029448840 /nfs/dbraw/zinc/44/88/40/1029448840.db2.gz HHABZXXIAVLYIP-WCRBZPEASA-N 2 1 336.479 3.980 20 0 EHADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272446046 1029462567 /nfs/dbraw/zinc/46/25/67/1029462567.db2.gz UXORSNKOQBXTBN-JRSUCEMESA-N 2 1 328.500 3.729 20 0 EHADMP CCC1CCC([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000524728168 1029473174 /nfs/dbraw/zinc/47/31/74/1029473174.db2.gz WJMLJMDPXXBLHD-ABHNRTSZSA-N 2 1 335.561 3.595 20 0 EHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501143 1029486999 /nfs/dbraw/zinc/48/69/99/1029486999.db2.gz LKCXNRPDWBZKQG-FGZHOGPDSA-N 2 1 348.490 3.724 20 0 EHADMP CCCC[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538810 1029503352 /nfs/dbraw/zinc/50/33/52/1029503352.db2.gz CFNOGGWZVDIJPT-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272538810 1029503367 /nfs/dbraw/zinc/50/33/67/1029503367.db2.gz CFNOGGWZVDIJPT-TZIWHRDSSA-N 3 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538810 1029503381 /nfs/dbraw/zinc/50/33/81/1029503381.db2.gz CFNOGGWZVDIJPT-TZIWHRDSSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000261836034 1029515662 /nfs/dbraw/zinc/51/56/62/1029515662.db2.gz QHCLLDODOPTXRL-SFHVURJKSA-N 2 1 327.453 3.727 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000261836034 1029515670 /nfs/dbraw/zinc/51/56/70/1029515670.db2.gz QHCLLDODOPTXRL-SFHVURJKSA-N 2 1 327.453 3.727 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663496 1029555681 /nfs/dbraw/zinc/55/56/81/1029555681.db2.gz ILTXTJAVTSJBOU-FGSXEWAUSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663496 1029555694 /nfs/dbraw/zinc/55/56/94/1029555694.db2.gz ILTXTJAVTSJBOU-FGSXEWAUSA-N 2 1 338.495 3.883 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851027 1029561788 /nfs/dbraw/zinc/56/17/88/1029561788.db2.gz OIMQSXODAWWEJL-LPHOPBHVSA-N 2 1 331.504 3.518 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125820491 1029614137 /nfs/dbraw/zinc/61/41/37/1029614137.db2.gz UDGULMFSYHCEHA-WMZOPIPTSA-N 2 1 334.504 3.865 20 0 EHADMP C[C@H](Nc1ccc2c(c1)ncn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696266 1029741707 /nfs/dbraw/zinc/74/17/07/1029741707.db2.gz HBUHTGHCDOMCBL-WMZOPIPTSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508696266 1029741712 /nfs/dbraw/zinc/74/17/12/1029741712.db2.gz HBUHTGHCDOMCBL-WMZOPIPTSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696266 1029741715 /nfs/dbraw/zinc/74/17/15/1029741715.db2.gz HBUHTGHCDOMCBL-WMZOPIPTSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H]([NH2+]CCCc1ccc(O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709526 1029771147 /nfs/dbraw/zinc/77/11/47/1029771147.db2.gz HQHYEIFKMPWZIF-GHTZIAJQSA-N 2 1 338.495 3.825 20 0 EHADMP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000446755670 1029783435 /nfs/dbraw/zinc/78/34/35/1029783435.db2.gz XSTJDGNIGZHVJL-NRFANRHFSA-N 2 1 330.516 3.754 20 0 EHADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000446834160 1029816263 /nfs/dbraw/zinc/81/62/63/1029816263.db2.gz WJPDWAYPWAANFP-KBRMVUAJSA-N 2 1 342.527 3.977 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000650705381 1029970737 /nfs/dbraw/zinc/97/07/37/1029970737.db2.gz FSLCRNOWGAKOOY-PBFPGSCMSA-N 2 1 343.298 3.712 20 0 EHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000453264493 1029999440 /nfs/dbraw/zinc/99/94/40/1029999440.db2.gz VPKKGMTUMOBUJI-QYZOEREBSA-N 2 1 332.536 3.546 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)s2)cc1 ZINC000650709203 1030024106 /nfs/dbraw/zinc/02/41/06/1030024106.db2.gz JHZNHQREWQLKLP-LPHOPBHVSA-N 2 1 327.497 3.679 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1CC[NH3+] ZINC000650711106 1030056195 /nfs/dbraw/zinc/05/61/95/1030056195.db2.gz ITIPXTRSMKOMBW-UTKZUKDTSA-N 2 1 339.483 3.610 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769348 1030068104 /nfs/dbraw/zinc/06/81/04/1030068104.db2.gz ZRPAMJHYANCRDP-NHCUHLMSSA-N 2 1 342.527 3.978 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769348 1030068121 /nfs/dbraw/zinc/06/81/21/1030068121.db2.gz ZRPAMJHYANCRDP-NHCUHLMSSA-N 2 1 342.527 3.978 20 0 EHADMP FCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000453308496 1030077999 /nfs/dbraw/zinc/07/79/99/1030077999.db2.gz MDERMFJURZNABK-OWZKRDHZSA-N 2 1 346.490 3.538 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000090409327 1030112238 /nfs/dbraw/zinc/11/22/38/1030112238.db2.gz GBUUPDMTAAEMIS-CYBMUJFWSA-N 2 1 348.516 3.619 20 0 EHADMP CN(C)c1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781595 1030115360 /nfs/dbraw/zinc/11/53/60/1030115360.db2.gz YNVXVPKLDKKVRL-HXUWFJFHSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781595 1030115366 /nfs/dbraw/zinc/11/53/66/1030115366.db2.gz YNVXVPKLDKKVRL-HXUWFJFHSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781595 1030115371 /nfs/dbraw/zinc/11/53/71/1030115371.db2.gz YNVXVPKLDKKVRL-HXUWFJFHSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781595 1030115381 /nfs/dbraw/zinc/11/53/81/1030115381.db2.gz YNVXVPKLDKKVRL-HXUWFJFHSA-N 2 1 337.511 3.707 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCSCC3)C3(CCC3)C2)cc1 ZINC000657771587 1030150099 /nfs/dbraw/zinc/15/00/99/1030150099.db2.gz KVBYTQGGIYEFCU-GOSISDBHSA-N 2 1 330.541 3.774 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C[C@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771270 1030154980 /nfs/dbraw/zinc/15/49/80/1030154980.db2.gz ADPDSXZOVGEWDD-MOPGFXCFSA-N 2 1 330.541 3.631 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000453406925 1030218594 /nfs/dbraw/zinc/21/85/94/1030218594.db2.gz DASSPAFTRYGPKW-ZLNRFVROSA-N 2 1 349.522 3.965 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)C1CC1 ZINC000453412658 1030224697 /nfs/dbraw/zinc/22/46/97/1030224697.db2.gz WGCHZUPMRQOWPR-UZLBHIALSA-N 2 1 334.479 3.757 20 0 EHADMP CCc1nocc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773180 1030226379 /nfs/dbraw/zinc/22/63/79/1030226379.db2.gz PYPONDIYMCJNGM-LJQANCHMSA-N 2 1 339.483 3.629 20 0 EHADMP CCc1nocc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773180 1030226399 /nfs/dbraw/zinc/22/63/99/1030226399.db2.gz PYPONDIYMCJNGM-LJQANCHMSA-N 2 1 339.483 3.629 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCC2 ZINC000453415025 1030229653 /nfs/dbraw/zinc/22/96/53/1030229653.db2.gz WYSAFSZQQAGIOD-MRXNPFEDSA-N 2 1 348.487 3.606 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453392263 1030241827 /nfs/dbraw/zinc/24/18/27/1030241827.db2.gz YPSJOXXGQGGBTO-MLNNCEHLSA-N 2 1 342.527 3.836 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)C1 ZINC000163273683 1030273852 /nfs/dbraw/zinc/27/38/52/1030273852.db2.gz PUCZJWPBINRTJF-DZGCQCFKSA-N 2 1 330.501 3.506 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000159602922 1030286150 /nfs/dbraw/zinc/28/61/50/1030286150.db2.gz JUTQVQDUOZBAEN-SJLPKXTDSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000159602922 1030286168 /nfs/dbraw/zinc/28/61/68/1030286168.db2.gz JUTQVQDUOZBAEN-SJLPKXTDSA-N 2 1 329.532 3.548 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000246238262 1030415657 /nfs/dbraw/zinc/41/56/57/1030415657.db2.gz IKTDFGIJGGGGAI-FOIQADDNSA-N 2 1 337.467 3.687 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000246238262 1030415663 /nfs/dbraw/zinc/41/56/63/1030415663.db2.gz IKTDFGIJGGGGAI-FOIQADDNSA-N 2 1 337.467 3.687 20 0 EHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000532187888 1030466407 /nfs/dbraw/zinc/46/64/07/1030466407.db2.gz DDWPZDDRJIKBEY-CRAIPNDOSA-N 2 1 347.503 3.527 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000532195778 1030470983 /nfs/dbraw/zinc/47/09/83/1030470983.db2.gz DIDHFKZFIGHTFN-UHFFFAOYSA-N 2 1 342.483 3.960 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCC[C@@H](C)C3)CC2)oc1C ZINC000092565467 1030480387 /nfs/dbraw/zinc/48/03/87/1030480387.db2.gz AKYWHDYBWSTBHQ-DNVCBOLYSA-N 2 1 333.520 3.919 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000532273586 1030518764 /nfs/dbraw/zinc/51/87/64/1030518764.db2.gz BLRBWDAGSFCZMK-OXJNMPFZSA-N 2 1 328.500 3.711 20 0 EHADMP C[N@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336836 1030587045 /nfs/dbraw/zinc/58/70/45/1030587045.db2.gz PCBFNQGUTZDWMB-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336836 1030587055 /nfs/dbraw/zinc/58/70/55/1030587055.db2.gz PCBFNQGUTZDWMB-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336836 1030587062 /nfs/dbraw/zinc/58/70/62/1030587062.db2.gz PCBFNQGUTZDWMB-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000648423739 1030618218 /nfs/dbraw/zinc/61/82/18/1030618218.db2.gz YDRXQVLGNHHMGS-DZFGPLHGSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000527232961 1030746760 /nfs/dbraw/zinc/74/67/60/1030746760.db2.gz PVXCOYFZKQTJSJ-UHFFFAOYSA-N 2 1 346.425 3.790 20 0 EHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883244 1030761821 /nfs/dbraw/zinc/76/18/21/1030761821.db2.gz WVMVBJRYKLFAID-QHAWAJNXSA-N 2 1 342.527 3.693 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000482936226 1030822581 /nfs/dbraw/zinc/82/25/81/1030822581.db2.gz JQBUZDQAWVVVIA-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)CC1 ZINC000668169486 1030833771 /nfs/dbraw/zinc/83/37/71/1030833771.db2.gz SJWLEKSODGWBIX-MRXNPFEDSA-N 2 1 332.463 3.531 20 0 EHADMP C[N@H+](Cc1cc(Br)c(Cl)s1)CC(C)(C)C[NH3+] ZINC000227911013 1030854611 /nfs/dbraw/zinc/85/46/11/1030854611.db2.gz UYGLJMHHRYCMAR-UHFFFAOYSA-N 2 1 325.703 3.581 20 0 EHADMP C[N@@H+](Cc1cc(Br)c(Cl)s1)CC(C)(C)C[NH3+] ZINC000227911013 1030854626 /nfs/dbraw/zinc/85/46/26/1030854626.db2.gz UYGLJMHHRYCMAR-UHFFFAOYSA-N 2 1 325.703 3.581 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1)CC1CC1 ZINC000536140958 1030886739 /nfs/dbraw/zinc/88/67/39/1030886739.db2.gz MGCSRLRQHUIHAK-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000551009953 1030908342 /nfs/dbraw/zinc/90/83/42/1030908342.db2.gz XRMMPOQCOOJLPU-UKAVVXHISA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551009953 1030908357 /nfs/dbraw/zinc/90/83/57/1030908357.db2.gz XRMMPOQCOOJLPU-UKAVVXHISA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000551009953 1030908382 /nfs/dbraw/zinc/90/83/82/1030908382.db2.gz XRMMPOQCOOJLPU-UKAVVXHISA-N 2 1 329.532 3.532 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000380420014 1030915088 /nfs/dbraw/zinc/91/50/88/1030915088.db2.gz JRNDFXPRYICPIK-ZMSDIMECSA-N 2 1 335.289 3.653 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000551050129 1031003941 /nfs/dbraw/zinc/00/39/41/1031003941.db2.gz FLQQLEBDVDLTPA-LAUBAEHRSA-N 2 1 336.479 3.805 20 0 EHADMP COC1(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000483267505 1031077970 /nfs/dbraw/zinc/07/79/70/1031077970.db2.gz IBTAZKOJQSGDFP-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@H](C)C1 ZINC000527662437 1031088631 /nfs/dbraw/zinc/08/86/31/1031088631.db2.gz QKQRFTCGYJSHII-CVEARBPZSA-N 2 1 334.495 3.785 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527655213 1031114183 /nfs/dbraw/zinc/11/41/83/1031114183.db2.gz ZZODMRFOQDRMEZ-FCHUYYIVSA-N 2 1 343.559 3.720 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCSCC[C@@H]2C)CC1 ZINC000483425257 1031157244 /nfs/dbraw/zinc/15/72/44/1031157244.db2.gz HOQMPKPYLWAGHP-SFHVURJKSA-N 2 1 347.572 3.546 20 0 EHADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527752353 1031207793 /nfs/dbraw/zinc/20/77/93/1031207793.db2.gz LRGVUCFLXRSRPK-OAQYLSRUSA-N 2 1 333.564 3.780 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCCOC2)C3)cc1 ZINC000527927412 1031422296 /nfs/dbraw/zinc/42/22/96/1031422296.db2.gz MIQMRXFUUGNRBA-MXEMCNAFSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960661 1031523970 /nfs/dbraw/zinc/52/39/70/1031523970.db2.gz CWLWKHDRRIIUJG-LAUBAEHRSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960661 1031523979 /nfs/dbraw/zinc/52/39/79/1031523979.db2.gz CWLWKHDRRIIUJG-LAUBAEHRSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC[NH+]1C1CCCC1 ZINC000528006929 1031573297 /nfs/dbraw/zinc/57/32/97/1031573297.db2.gz AJYQRKCHKSSWCE-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006929 1031573316 /nfs/dbraw/zinc/57/33/16/1031573316.db2.gz AJYQRKCHKSSWCE-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528006929 1031573328 /nfs/dbraw/zinc/57/33/28/1031573328.db2.gz AJYQRKCHKSSWCE-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528006929 1031573343 /nfs/dbraw/zinc/57/33/43/1031573343.db2.gz AJYQRKCHKSSWCE-QIJUGHKUSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178248703 1031647141 /nfs/dbraw/zinc/64/71/41/1031647141.db2.gz HEEPISVDGIMZLL-QFBILLFUSA-N 2 1 337.467 3.557 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OCC ZINC000178707569 1031718612 /nfs/dbraw/zinc/71/86/12/1031718612.db2.gz IKIZXESQARJMGY-HZPDHXFCSA-N 2 1 345.487 3.976 20 0 EHADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000904338148 1031941209 /nfs/dbraw/zinc/94/12/09/1031941209.db2.gz NJUIYHFXLNAYAL-SCDSUCTJSA-N 2 1 341.318 3.655 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000904404724 1032019271 /nfs/dbraw/zinc/01/92/71/1032019271.db2.gz DWHWSKQEPSBPEV-INIZCTEOSA-N 2 1 340.467 3.542 20 0 EHADMP CSc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)ccn1 ZINC000537936207 1032020374 /nfs/dbraw/zinc/02/03/74/1032020374.db2.gz GHLIYNRNPMRQRY-CRAIPNDOSA-N 2 1 333.545 3.936 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cccc2C)[C@@H](C)C1 ZINC000537958404 1032045336 /nfs/dbraw/zinc/04/53/36/1032045336.db2.gz SXSPZJXSXMQMJQ-PZJWPPBQSA-N 2 1 332.532 3.573 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000537946552 1032050518 /nfs/dbraw/zinc/05/05/18/1032050518.db2.gz KHZHCXOKAGCJFO-ZWKOTPCHSA-N 2 1 346.515 3.867 20 0 EHADMP C[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458017 1033348805 /nfs/dbraw/zinc/34/88/05/1033348805.db2.gz XRVSLBVVSZOFMG-KRWDZBQOSA-N 2 1 349.588 3.646 20 0 EHADMP CCc1nn(C)cc1C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000685462613 1033357003 /nfs/dbraw/zinc/35/70/03/1033357003.db2.gz GVIMMBRNURHHML-UHFFFAOYSA-N 2 1 334.552 3.563 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000120105407 1033370552 /nfs/dbraw/zinc/37/05/52/1033370552.db2.gz USZBGHXYCVECNN-HXUWFJFHSA-N 2 1 345.462 3.792 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000120105407 1033370569 /nfs/dbraw/zinc/37/05/69/1033370569.db2.gz USZBGHXYCVECNN-HXUWFJFHSA-N 2 1 345.462 3.792 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000044533510 1033509080 /nfs/dbraw/zinc/50/90/80/1033509080.db2.gz RMPQDHDFASQCHO-KTAKPFMOSA-N 2 1 337.305 3.627 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708584873 1033573775 /nfs/dbraw/zinc/57/37/75/1033573775.db2.gz FHJRUDGNZLZZNZ-FYZZASKESA-N 2 1 342.527 3.692 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CSCCF)cc1F ZINC000595019493 1033611186 /nfs/dbraw/zinc/61/11/86/1033611186.db2.gz WWQPDHHEAGONFY-LBPRGKRZSA-N 2 1 325.428 3.501 20 0 EHADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000595035622 1033655502 /nfs/dbraw/zinc/65/55/02/1033655502.db2.gz YIJCUKZHJBLRNG-GVDBMIGSSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000595037526 1033657838 /nfs/dbraw/zinc/65/78/38/1033657838.db2.gz GYIGWVJNEVHMMI-MJGOQNOKSA-N 2 1 338.536 3.970 20 0 EHADMP COc1cc2ccc([C@@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)cc2cc1OC ZINC000657939006 1033700677 /nfs/dbraw/zinc/70/06/77/1033700677.db2.gz SWVHAYPZNPLFFC-OAHLLOKOSA-N 2 1 340.467 3.770 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000685665215 1033716794 /nfs/dbraw/zinc/71/67/94/1033716794.db2.gz OINCMFZFGPYXJQ-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000550605767 1033725491 /nfs/dbraw/zinc/72/54/91/1033725491.db2.gz ATKIDDHREKTQDG-YPAWHYETSA-N 2 1 337.511 3.714 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000658061613 1033876083 /nfs/dbraw/zinc/87/60/83/1033876083.db2.gz UMTPCEJHIHJJSX-MNMPARFZSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000575107203 1033877825 /nfs/dbraw/zinc/87/78/25/1033877825.db2.gz NLUXWOZDYCWMMG-KBPBESRZSA-N 2 1 340.309 3.615 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000575107203 1033877837 /nfs/dbraw/zinc/87/78/37/1033877837.db2.gz NLUXWOZDYCWMMG-KBPBESRZSA-N 2 1 340.309 3.615 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658054855 1033886418 /nfs/dbraw/zinc/88/64/18/1033886418.db2.gz FGQABJJHLACBNB-DHCGTZGXSA-N 2 1 342.527 3.692 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550699281 1033889017 /nfs/dbraw/zinc/88/90/17/1033889017.db2.gz HIAPDGLPJKYFRJ-BDTNDASRSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550699281 1033889028 /nfs/dbraw/zinc/88/90/28/1033889028.db2.gz HIAPDGLPJKYFRJ-BDTNDASRSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550699281 1033889040 /nfs/dbraw/zinc/88/90/40/1033889040.db2.gz HIAPDGLPJKYFRJ-BDTNDASRSA-N 2 1 343.559 3.922 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168312027 1033907648 /nfs/dbraw/zinc/90/76/48/1033907648.db2.gz HOKYWQWRSBQCTH-NEBFTCOFSA-N 3 1 347.522 3.770 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccs1 ZINC000658143134 1033989550 /nfs/dbraw/zinc/98/95/50/1033989550.db2.gz WVEPDLCMYPRVSP-ZWKOTPCHSA-N 2 1 330.497 3.556 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658146052 1033992329 /nfs/dbraw/zinc/99/23/29/1033992329.db2.gz UICFLASHDJZCIU-NHCUHLMSSA-N 2 1 342.458 3.633 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658140626 1034005799 /nfs/dbraw/zinc/00/57/99/1034005799.db2.gz VOKKLYINXXYCDO-OALUTQOASA-N 2 1 330.497 3.556 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227169 1034085578 /nfs/dbraw/zinc/08/55/78/1034085578.db2.gz SZEOPQCLOUSJOL-AEFFLSMTSA-N 2 1 346.515 3.631 20 0 EHADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227169 1034085602 /nfs/dbraw/zinc/08/56/02/1034085602.db2.gz SZEOPQCLOUSJOL-AEFFLSMTSA-N 2 1 346.515 3.631 20 0 EHADMP C[NH+](C)C1CCC(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001168329496 1034192889 /nfs/dbraw/zinc/19/28/89/1034192889.db2.gz VRYNUQHXJQPKFH-QETWGEEDSA-N 2 1 341.543 3.554 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)C[C@H]1c1ccccc1 ZINC000421892128 1034311246 /nfs/dbraw/zinc/31/12/46/1034311246.db2.gz WINZYIGCFGLWIX-FHWLQOOXSA-N 2 1 330.541 3.945 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)C[C@H]1c1ccccc1 ZINC000421892128 1034311257 /nfs/dbraw/zinc/31/12/57/1034311257.db2.gz WINZYIGCFGLWIX-FHWLQOOXSA-N 2 1 330.541 3.945 20 0 EHADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388748 1034360191 /nfs/dbraw/zinc/36/01/91/1034360191.db2.gz NIFZNSFBKUCUAK-UYAOXDASSA-N 2 1 337.511 3.613 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000340168592 1034367173 /nfs/dbraw/zinc/36/71/73/1034367173.db2.gz SLSTWNVGJACMOY-RTBURBONSA-N 2 1 340.467 3.629 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000340168592 1034367188 /nfs/dbraw/zinc/36/71/88/1034367188.db2.gz SLSTWNVGJACMOY-RTBURBONSA-N 2 1 340.467 3.629 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3=CCCCC3)CC2)CC1 ZINC000450471601 1034386621 /nfs/dbraw/zinc/38/66/21/1034386621.db2.gz DBZDQGYDLHCMFV-UHFFFAOYSA-N 3 1 333.564 3.615 20 0 EHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1=CCCCC1 ZINC000450471601 1034386637 /nfs/dbraw/zinc/38/66/37/1034386637.db2.gz DBZDQGYDLHCMFV-UHFFFAOYSA-N 3 1 333.564 3.615 20 0 EHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1=CCCCC1 ZINC000450471601 1034386651 /nfs/dbraw/zinc/38/66/51/1034386651.db2.gz DBZDQGYDLHCMFV-UHFFFAOYSA-N 3 1 333.564 3.615 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340220444 1034469485 /nfs/dbraw/zinc/46/94/85/1034469485.db2.gz AHGRIIIUHFYJBQ-FUHWJXTLSA-N 2 1 329.513 3.673 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340220444 1034469495 /nfs/dbraw/zinc/46/94/95/1034469495.db2.gz AHGRIIIUHFYJBQ-FUHWJXTLSA-N 2 1 329.513 3.673 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340247668 1034478596 /nfs/dbraw/zinc/47/85/96/1034478596.db2.gz PNBYQYKITLIGIO-QMIHWGKISA-N 2 1 327.472 3.648 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340247668 1034478601 /nfs/dbraw/zinc/47/86/01/1034478601.db2.gz PNBYQYKITLIGIO-QMIHWGKISA-N 2 1 327.472 3.648 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340380346 1034496472 /nfs/dbraw/zinc/49/64/72/1034496472.db2.gz MCXDXQSYFFXGQS-UFYCRDLUSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340380346 1034496480 /nfs/dbraw/zinc/49/64/80/1034496480.db2.gz MCXDXQSYFFXGQS-UFYCRDLUSA-N 2 1 328.500 3.761 20 0 EHADMP O=C(CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601453 1034554950 /nfs/dbraw/zinc/55/49/50/1034554950.db2.gz PQNRDFXURDUFDI-UYAOXDASSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601453 1034554970 /nfs/dbraw/zinc/55/49/70/1034554970.db2.gz PQNRDFXURDUFDI-UYAOXDASSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601453 1034554981 /nfs/dbraw/zinc/55/49/81/1034554981.db2.gz PQNRDFXURDUFDI-UYAOXDASSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601453 1034554991 /nfs/dbraw/zinc/55/49/91/1034554991.db2.gz PQNRDFXURDUFDI-UYAOXDASSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601453 1034555003 /nfs/dbraw/zinc/55/50/03/1034555003.db2.gz PQNRDFXURDUFDI-UYAOXDASSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000450601453 1034555005 /nfs/dbraw/zinc/55/50/05/1034555005.db2.gz PQNRDFXURDUFDI-UYAOXDASSA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601453 1034555009 /nfs/dbraw/zinc/55/50/09/1034555009.db2.gz PQNRDFXURDUFDI-UYAOXDASSA-N 2 1 326.484 3.598 20 0 EHADMP CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](CC)CC ZINC000605425228 1034723987 /nfs/dbraw/zinc/72/39/87/1034723987.db2.gz CWFZACYVUIBWIX-XLIONFOSSA-N 2 1 345.531 3.977 20 0 EHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000605519897 1034774151 /nfs/dbraw/zinc/77/41/51/1034774151.db2.gz DNFLHORYSMSEJT-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Br ZINC000121435268 1034949727 /nfs/dbraw/zinc/94/97/27/1034949727.db2.gz UQGLJVWOUKWJBA-STQMWFEESA-N 2 1 336.277 3.941 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC(F)(F)F)cc1 ZINC000161652372 1035354647 /nfs/dbraw/zinc/35/46/47/1035354647.db2.gz DPSCPOIPBGKTKH-AEGPPILISA-N 2 1 328.378 3.863 20 0 EHADMP C[C@@H]1Cc2cc(Br)ccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001207402784 1035655677 /nfs/dbraw/zinc/65/56/77/1035655677.db2.gz OFGQVEPXXZHAPL-CYBMUJFWSA-N 2 1 337.305 3.538 20 0 EHADMP C[C@H]([NH2+]CCOc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372017 1035719468 /nfs/dbraw/zinc/71/94/68/1035719468.db2.gz FKFZKJCHICWUBT-HKUYNNGSSA-N 2 1 342.458 3.705 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000187088549 1035771228 /nfs/dbraw/zinc/77/12/28/1035771228.db2.gz BUAUANPKNYCSAP-UHFFFAOYSA-N 2 1 327.472 3.579 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414182501 1035925930 /nfs/dbraw/zinc/92/59/30/1035925930.db2.gz NIKIROOXOOXQOS-LSDHHAIUSA-N 2 1 326.431 3.979 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000572253502 1036032036 /nfs/dbraw/zinc/03/20/36/1036032036.db2.gz XVETYDJSMZRXIK-PKOBYXMFSA-N 2 1 339.483 3.589 20 0 EHADMP Clc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000414244373 1036254906 /nfs/dbraw/zinc/25/49/06/1036254906.db2.gz QBHQNWOEEHVAGS-UHFFFAOYSA-N 2 1 343.696 3.819 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206536 1036309332 /nfs/dbraw/zinc/30/93/32/1036309332.db2.gz RAPHPLFIEWANFE-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206536 1036309349 /nfs/dbraw/zinc/30/93/49/1036309349.db2.gz RAPHPLFIEWANFE-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000589206536 1036309367 /nfs/dbraw/zinc/30/93/67/1036309367.db2.gz RAPHPLFIEWANFE-MOPGFXCFSA-N 2 1 344.499 3.558 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414257304 1036313167 /nfs/dbraw/zinc/31/31/67/1036313167.db2.gz GTKKRPVRCWRSIR-FXAWDEMLSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414257304 1036313187 /nfs/dbraw/zinc/31/31/87/1036313187.db2.gz GTKKRPVRCWRSIR-FXAWDEMLSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)CC1CCCC1 ZINC000191034651 1036329133 /nfs/dbraw/zinc/32/91/33/1036329133.db2.gz IJLDECISNLYHJN-NRFANRHFSA-N 2 1 345.531 3.561 20 0 EHADMP CC1CC[NH+]([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000192713813 1036542767 /nfs/dbraw/zinc/54/27/67/1036542767.db2.gz HKBLSBQKLZJKCT-LQCXBHPOSA-N 2 1 341.543 3.674 20 0 EHADMP c1csc(C[NH+]2CCC(C[NH2+]Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000589647317 1036575481 /nfs/dbraw/zinc/57/54/81/1036575481.db2.gz SZDNLELZFVWJJO-UHFFFAOYSA-N 2 1 340.496 3.626 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCSCc2ccccc2)C1 ZINC000535583639 1036678552 /nfs/dbraw/zinc/67/85/52/1036678552.db2.gz UBTWQBGFDYDHDP-FQEVSTJZSA-N 2 1 332.557 3.974 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000535583639 1036678571 /nfs/dbraw/zinc/67/85/71/1036678571.db2.gz UBTWQBGFDYDHDP-FQEVSTJZSA-N 2 1 332.557 3.974 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000535583639 1036678580 /nfs/dbraw/zinc/67/85/80/1036678580.db2.gz UBTWQBGFDYDHDP-FQEVSTJZSA-N 2 1 332.557 3.974 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCOC4(CCCCC4)C3)C2)cc1 ZINC000310883616 1036714945 /nfs/dbraw/zinc/71/49/45/1036714945.db2.gz AAAMJMSPHYMEBJ-SFTDATJTSA-N 2 1 342.527 3.980 20 0 EHADMP Cc1csc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000590074728 1036730527 /nfs/dbraw/zinc/73/05/27/1036730527.db2.gz LOQCFUNPTBLBNG-HNNXBMFYSA-N 2 1 333.501 3.633 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414337361 1036736958 /nfs/dbraw/zinc/73/69/58/1036736958.db2.gz XJPGATMNFVAHOW-GFCCVEGCSA-N 2 1 325.378 3.945 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000493128649 1036751677 /nfs/dbraw/zinc/75/16/77/1036751677.db2.gz KMJSMVYYAFNLBJ-FVPXHTFXSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000493128649 1036751697 /nfs/dbraw/zinc/75/16/97/1036751697.db2.gz KMJSMVYYAFNLBJ-FVPXHTFXSA-N 2 1 330.516 3.975 20 0 EHADMP Cc1ncsc1C[N@H+]1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001279164544 1037023738 /nfs/dbraw/zinc/02/37/38/1037023738.db2.gz ZWGKINHHFYIJNZ-LJQANCHMSA-N 2 1 344.528 3.658 20 0 EHADMP Cc1ncsc1CN1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001279164544 1037023758 /nfs/dbraw/zinc/02/37/58/1037023758.db2.gz ZWGKINHHFYIJNZ-LJQANCHMSA-N 2 1 344.528 3.658 20 0 EHADMP Cc1ncsc1CN1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001279164544 1037023776 /nfs/dbraw/zinc/02/37/76/1037023776.db2.gz ZWGKINHHFYIJNZ-LJQANCHMSA-N 2 1 344.528 3.658 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000375643391 1037228551 /nfs/dbraw/zinc/22/85/51/1037228551.db2.gz VGUSWYPTOIKSLX-QHAWAJNXSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001168194153 1037243335 /nfs/dbraw/zinc/24/33/35/1037243335.db2.gz YNPMICYLZGQDOF-WOZUAGRISA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001168194153 1037243352 /nfs/dbraw/zinc/24/33/52/1037243352.db2.gz YNPMICYLZGQDOF-WOZUAGRISA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001168194153 1037243368 /nfs/dbraw/zinc/24/33/68/1037243368.db2.gz YNPMICYLZGQDOF-WOZUAGRISA-N 2 1 343.559 3.559 20 0 EHADMP CCCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000539897550 1037332566 /nfs/dbraw/zinc/33/25/66/1037332566.db2.gz BYXLURLSTOKQQX-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000539897550 1037332586 /nfs/dbraw/zinc/33/25/86/1037332586.db2.gz BYXLURLSTOKQQX-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000539897550 1037332600 /nfs/dbraw/zinc/33/26/00/1037332600.db2.gz BYXLURLSTOKQQX-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423392434 1037338644 /nfs/dbraw/zinc/33/86/44/1037338644.db2.gz QDEJUKVLBZWOJF-INMHGKMJSA-N 2 1 349.272 3.991 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@@H]1c1ccccc1 ZINC000423449736 1037406790 /nfs/dbraw/zinc/40/67/90/1037406790.db2.gz RYXMLOVQZOBUKJ-IFMALSPDSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@@H]1c1ccccc1 ZINC000423449736 1037406800 /nfs/dbraw/zinc/40/68/00/1037406800.db2.gz RYXMLOVQZOBUKJ-IFMALSPDSA-N 2 1 335.495 3.970 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000573338669 1037472939 /nfs/dbraw/zinc/47/29/39/1037472939.db2.gz VDWVCKWNEIYRNW-HWWQOWPSSA-N 2 1 325.294 3.576 20 0 EHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423503136 1037517293 /nfs/dbraw/zinc/51/72/93/1037517293.db2.gz MPKFKDOCPLQDCT-FCEUIQTBSA-N 2 1 337.511 3.674 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423521325 1037523384 /nfs/dbraw/zinc/52/33/84/1037523384.db2.gz SPVCPCZFKOLCDW-BHDDXSALSA-N 3 1 337.511 3.892 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423521325 1037523392 /nfs/dbraw/zinc/52/33/92/1037523392.db2.gz SPVCPCZFKOLCDW-BHDDXSALSA-N 3 1 337.511 3.892 20 0 EHADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OCc1cccs1 ZINC000491549074 1037550044 /nfs/dbraw/zinc/55/00/44/1037550044.db2.gz UVWSNJYIWXDDKQ-OAHLLOKOSA-N 2 1 348.512 3.623 20 0 EHADMP c1cc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)co1 ZINC000108366623 1037647109 /nfs/dbraw/zinc/64/71/09/1037647109.db2.gz NVHGCMSLDCSAPR-UHFFFAOYSA-N 2 1 331.485 3.711 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237432 1037920597 /nfs/dbraw/zinc/92/05/97/1037920597.db2.gz NFBAREGCPQIEQF-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237432 1037920613 /nfs/dbraw/zinc/92/06/13/1037920613.db2.gz NFBAREGCPQIEQF-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC000463237432 1037920632 /nfs/dbraw/zinc/92/06/32/1037920632.db2.gz NFBAREGCPQIEQF-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463237432 1037920665 /nfs/dbraw/zinc/92/06/65/1037920665.db2.gz NFBAREGCPQIEQF-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463237432 1037920678 /nfs/dbraw/zinc/92/06/78/1037920678.db2.gz NFBAREGCPQIEQF-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000584557347 1038009813 /nfs/dbraw/zinc/00/98/13/1038009813.db2.gz UCEPEAMTAOEDIW-OXQOHEQNSA-N 2 1 344.499 3.606 20 0 EHADMP CC[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125047417 1038271562 /nfs/dbraw/zinc/27/15/62/1038271562.db2.gz ADHIJMNAQPISCO-OXJNMPFZSA-N 2 1 326.488 3.686 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125047417 1038271568 /nfs/dbraw/zinc/27/15/68/1038271568.db2.gz ADHIJMNAQPISCO-OXJNMPFZSA-N 2 1 326.488 3.686 20 0 EHADMP Cc1[nH+]ccn1CCCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000125479432 1038332522 /nfs/dbraw/zinc/33/25/22/1038332522.db2.gz CQYRDKDJXWAZIM-UHFFFAOYSA-N 2 1 332.536 3.560 20 0 EHADMP Cc1[nH+]ccn1CCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000125479432 1038332540 /nfs/dbraw/zinc/33/25/40/1038332540.db2.gz CQYRDKDJXWAZIM-UHFFFAOYSA-N 2 1 332.536 3.560 20 0 EHADMP CCCCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796523 1038532404 /nfs/dbraw/zinc/53/24/04/1038532404.db2.gz KIMVZCZOKFZKQI-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796523 1038532413 /nfs/dbraw/zinc/53/24/13/1038532413.db2.gz KIMVZCZOKFZKQI-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796523 1038532416 /nfs/dbraw/zinc/53/24/16/1038532416.db2.gz KIMVZCZOKFZKQI-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000538796523 1038532424 /nfs/dbraw/zinc/53/24/24/1038532424.db2.gz KIMVZCZOKFZKQI-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796523 1038532430 /nfs/dbraw/zinc/53/24/30/1038532430.db2.gz KIMVZCZOKFZKQI-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Br)ccc1F ZINC000149470036 1038652360 /nfs/dbraw/zinc/65/23/60/1038652360.db2.gz QSYSVILFBBHRBU-LLVKDONJSA-N 2 1 341.268 3.866 20 0 EHADMP CCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000149387248 1038652943 /nfs/dbraw/zinc/65/29/43/1038652943.db2.gz DHTBXBYFADRNLP-LLVKDONJSA-N 2 1 329.257 3.723 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@H](C)C1 ZINC000539063420 1038662229 /nfs/dbraw/zinc/66/22/29/1038662229.db2.gz DVVZPKVQZMEIQD-NQIIRXRSSA-N 2 1 344.543 3.518 20 0 EHADMP CC1CCN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552033700 1038712693 /nfs/dbraw/zinc/71/26/93/1038712693.db2.gz NSKNFDAMRBEOIG-UHFFFAOYSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462108908 1038757643 /nfs/dbraw/zinc/75/76/43/1038757643.db2.gz HZHURSQYHGWEKT-GOSISDBHSA-N 2 1 338.495 3.620 20 0 EHADMP COC1(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000339193497 1039018298 /nfs/dbraw/zinc/01/82/98/1039018298.db2.gz FWSXAMRRGUYEJQ-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000339193497 1039018314 /nfs/dbraw/zinc/01/83/14/1039018314.db2.gz FWSXAMRRGUYEJQ-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000339193497 1039018330 /nfs/dbraw/zinc/01/83/30/1039018330.db2.gz FWSXAMRRGUYEJQ-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185274831 1039062576 /nfs/dbraw/zinc/06/25/76/1039062576.db2.gz BINONBLCMBRMBC-AWEZNQCLSA-N 2 1 339.867 3.850 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1nccn1C ZINC000182443142 1039128819 /nfs/dbraw/zinc/12/88/19/1039128819.db2.gz VWECBBCMOZJCNU-FQEVSTJZSA-N 2 1 340.515 3.893 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000480080759 1039149909 /nfs/dbraw/zinc/14/99/09/1039149909.db2.gz AKAYZEQGXKQCKK-RXVVDRJESA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000480080759 1039149913 /nfs/dbraw/zinc/14/99/13/1039149913.db2.gz AKAYZEQGXKQCKK-RXVVDRJESA-N 2 1 338.495 3.738 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC(C(C)C)C3)CC2)cs1 ZINC000488410471 1039164328 /nfs/dbraw/zinc/16/43/28/1039164328.db2.gz LBAJTFZUNGYTLT-UHFFFAOYSA-N 2 1 335.561 3.942 20 0 EHADMP CC1(O)CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517026 1039186026 /nfs/dbraw/zinc/18/60/26/1039186026.db2.gz HGBNWAKAGAQIPN-YSJRPZDFSA-N 2 1 342.527 3.570 20 0 EHADMP Cc1ccncc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518014 1039186929 /nfs/dbraw/zinc/18/69/29/1039186929.db2.gz FZGXCCXAOFUDBP-URVUXULASA-N 2 1 335.495 3.780 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519285 1039190196 /nfs/dbraw/zinc/19/01/96/1039190196.db2.gz OLAZBLMSSKNHBV-AYWYSENESA-N 2 1 330.516 3.690 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523127 1039201143 /nfs/dbraw/zinc/20/11/43/1039201143.db2.gz ZSFRFKNVYCABPY-AABGKKOBSA-N 2 1 339.483 3.682 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CCC3CC[NH2+]CC3)c2C1 ZINC000236720646 1039243947 /nfs/dbraw/zinc/24/39/47/1039243947.db2.gz QRFQDOWHFVKVBX-UHFFFAOYSA-N 2 1 343.515 3.767 20 0 EHADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567286718 1039320432 /nfs/dbraw/zinc/32/04/32/1039320432.db2.gz TWGYUKJTMQFNST-OALUTQOASA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567286718 1039320446 /nfs/dbraw/zinc/32/04/46/1039320446.db2.gz TWGYUKJTMQFNST-OALUTQOASA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567286718 1039320455 /nfs/dbraw/zinc/32/04/55/1039320455.db2.gz TWGYUKJTMQFNST-OALUTQOASA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567286718 1039320469 /nfs/dbraw/zinc/32/04/69/1039320469.db2.gz TWGYUKJTMQFNST-OALUTQOASA-N 2 1 341.524 3.714 20 0 EHADMP COC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCCC1 ZINC000480343060 1039459498 /nfs/dbraw/zinc/45/94/98/1039459498.db2.gz KKOZHUCCAZXTOD-KRWDZBQOSA-N 2 1 336.545 3.899 20 0 EHADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000480343060 1039459506 /nfs/dbraw/zinc/45/95/06/1039459506.db2.gz KKOZHUCCAZXTOD-KRWDZBQOSA-N 2 1 336.545 3.899 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000549686831 1039680274 /nfs/dbraw/zinc/68/02/74/1039680274.db2.gz CIVHQEOPJTVPOK-CEXWTWQISA-N 2 1 338.536 3.743 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000480614707 1039758769 /nfs/dbraw/zinc/75/87/69/1039758769.db2.gz ODJHKBPFYAOGCG-NXLVEIQXSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480614707 1039758788 /nfs/dbraw/zinc/75/87/88/1039758788.db2.gz ODJHKBPFYAOGCG-NXLVEIQXSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000480614707 1039758803 /nfs/dbraw/zinc/75/88/03/1039758803.db2.gz ODJHKBPFYAOGCG-NXLVEIQXSA-N 2 1 343.559 3.607 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000367439575 1039781349 /nfs/dbraw/zinc/78/13/49/1039781349.db2.gz VOAIRSVZBQGXRN-OAHLLOKOSA-N 2 1 335.455 3.564 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000480630115 1039805047 /nfs/dbraw/zinc/80/50/47/1039805047.db2.gz HQTILCROMLWIPT-IAGOWNOFSA-N 2 1 334.504 3.867 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000480632227 1039809545 /nfs/dbraw/zinc/80/95/45/1039809545.db2.gz RVWGQKSZMGVBRX-CZUORRHYSA-N 2 1 339.321 3.657 20 0 EHADMP C[C@H](NCc1cc(C2CC2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660219242 1039891045 /nfs/dbraw/zinc/89/10/45/1039891045.db2.gz DUEMEZKHTVPDDK-MAUKXSAKSA-N 2 1 325.456 3.552 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000480719010 1039944883 /nfs/dbraw/zinc/94/48/83/1039944883.db2.gz WXPNFQMTOAMNIM-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c(C)c2c1 ZINC000480769951 1039991259 /nfs/dbraw/zinc/99/12/59/1039991259.db2.gz YUPGSGGKSZIAFH-HUUCEWRRSA-N 2 1 328.456 3.885 20 0 EHADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c(C)c2c1 ZINC000480769951 1039991270 /nfs/dbraw/zinc/99/12/70/1039991270.db2.gz YUPGSGGKSZIAFH-HUUCEWRRSA-N 2 1 328.456 3.885 20 0 EHADMP Cc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000554982716 1040034097 /nfs/dbraw/zinc/03/40/97/1040034097.db2.gz YCGVNJQBYCVLSP-NRFANRHFSA-N 2 1 336.479 3.553 20 0 EHADMP CC(C)C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924751293 1040107626 /nfs/dbraw/zinc/10/76/26/1040107626.db2.gz AIDURJUQTVHZKV-VKEMMKHGSA-N 2 1 330.516 3.569 20 0 EHADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C2CCCCC2)n1 ZINC000480914474 1040161670 /nfs/dbraw/zinc/16/16/70/1040161670.db2.gz WWOYXKKKDXVITA-UHFFFAOYSA-N 2 1 332.536 3.679 20 0 EHADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000512649851 1040396043 /nfs/dbraw/zinc/39/60/43/1040396043.db2.gz UZUJAKOFUSKIDH-PWRODBHTSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000490404499 1040547432 /nfs/dbraw/zinc/54/74/32/1040547432.db2.gz SLWLTQUZHAORSU-ZHHKINOHSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404499 1040547448 /nfs/dbraw/zinc/54/74/48/1040547448.db2.gz SLWLTQUZHAORSU-ZHHKINOHSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000490404499 1040547460 /nfs/dbraw/zinc/54/74/60/1040547460.db2.gz SLWLTQUZHAORSU-ZHHKINOHSA-N 2 1 342.527 3.788 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294183 1040617926 /nfs/dbraw/zinc/61/79/26/1040617926.db2.gz KBNJGZBTLSSNQV-SUMDDJOVSA-N 2 1 334.479 3.792 20 0 EHADMP Clc1csc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000486987666 1040625612 /nfs/dbraw/zinc/62/56/12/1040625612.db2.gz MYKATKRWUVEFQS-UHFFFAOYSA-N 2 1 336.888 3.524 20 0 EHADMP COc1cccc(C2(F)CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000500172310 1040663542 /nfs/dbraw/zinc/66/35/42/1040663542.db2.gz QAMAOJMWPWIYLU-GOSISDBHSA-N 2 1 334.479 3.830 20 0 EHADMP COc1cccc(C2(F)CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000500172310 1040663545 /nfs/dbraw/zinc/66/35/45/1040663545.db2.gz QAMAOJMWPWIYLU-GOSISDBHSA-N 2 1 334.479 3.830 20 0 EHADMP COC1CCC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000894113513 1040671643 /nfs/dbraw/zinc/67/16/43/1040671643.db2.gz PQPHIFDDTXRDHQ-UHFFFAOYSA-N 2 1 331.504 3.604 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001167750708 1040799010 /nfs/dbraw/zinc/79/90/10/1040799010.db2.gz AAFZSFJCDFNIIM-SFHVURJKSA-N 2 1 341.543 3.930 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000390528445 1040867210 /nfs/dbraw/zinc/86/72/10/1040867210.db2.gz KLIMXMLQWCMCJS-CIAFKFPVSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000390528445 1040867216 /nfs/dbraw/zinc/86/72/16/1040867216.db2.gz KLIMXMLQWCMCJS-CIAFKFPVSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@H]1C[C@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000491169293 1040951485 /nfs/dbraw/zinc/95/14/85/1040951485.db2.gz VZENLASDWNDUSI-GHTZIAJQSA-N 2 1 330.516 3.646 20 0 EHADMP Cc1cc2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)oc2cc1C ZINC000668785576 1040995769 /nfs/dbraw/zinc/99/57/69/1040995769.db2.gz SJGIOEKYJPHLHX-GOSISDBHSA-N 2 1 330.472 3.592 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)oc2cc1C ZINC000668785576 1040995797 /nfs/dbraw/zinc/99/57/97/1040995797.db2.gz SJGIOEKYJPHLHX-GOSISDBHSA-N 2 1 330.472 3.592 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000571292711 1041259178 /nfs/dbraw/zinc/25/91/78/1041259178.db2.gz QYNWENUSGLVBII-DYXWJJEUSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571292711 1041259190 /nfs/dbraw/zinc/25/91/90/1041259190.db2.gz QYNWENUSGLVBII-DYXWJJEUSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571292711 1041259201 /nfs/dbraw/zinc/25/92/01/1041259201.db2.gz QYNWENUSGLVBII-DYXWJJEUSA-N 2 1 331.548 3.750 20 0 EHADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(OC(F)(F)F)ccc21 ZINC000899876823 1041269586 /nfs/dbraw/zinc/26/95/86/1041269586.db2.gz PHYVWNVAQYINER-RYUDHWBXSA-N 2 1 339.361 3.662 20 0 EHADMP Brc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157586879 1041278622 /nfs/dbraw/zinc/27/86/22/1041278622.db2.gz RVKOFRREORUIMA-ZLGJRNTRSA-N 2 1 349.316 3.912 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCOC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513043278 1041411971 /nfs/dbraw/zinc/41/19/71/1041411971.db2.gz ZJQYBMBMGVPAQO-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513043278 1041411975 /nfs/dbraw/zinc/41/19/75/1041411975.db2.gz ZJQYBMBMGVPAQO-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1)C(C)C ZINC000110230272 1041520345 /nfs/dbraw/zinc/52/03/45/1041520345.db2.gz GCNLIMNRUVNRHD-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP C[N@@H+](Cc1cc2cnccc2o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000651639283 1041826368 /nfs/dbraw/zinc/82/63/68/1041826368.db2.gz YCGOXOBVSLDLCM-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP C[N@H+](Cc1cc2cnccc2o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000651639283 1041826375 /nfs/dbraw/zinc/82/63/75/1041826375.db2.gz YCGOXOBVSLDLCM-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cnccc2o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651639283 1041826381 /nfs/dbraw/zinc/82/63/81/1041826381.db2.gz YCGOXOBVSLDLCM-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP C[NH+](Cc1cc2cnccc2o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651639283 1041826391 /nfs/dbraw/zinc/82/63/91/1041826391.db2.gz YCGOXOBVSLDLCM-SFHVURJKSA-N 2 1 335.451 3.782 20 0 EHADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651691741 1041931944 /nfs/dbraw/zinc/93/19/44/1041931944.db2.gz FPSLLISURDGDPY-SFHVURJKSA-N 2 1 335.451 3.830 20 0 EHADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651691741 1041931949 /nfs/dbraw/zinc/93/19/49/1041931949.db2.gz FPSLLISURDGDPY-SFHVURJKSA-N 2 1 335.451 3.830 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651705750 1041944247 /nfs/dbraw/zinc/94/42/47/1041944247.db2.gz FERFJFZLBDBKMV-LJQANCHMSA-N 2 1 340.515 3.699 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000651705750 1041944252 /nfs/dbraw/zinc/94/42/52/1041944252.db2.gz FERFJFZLBDBKMV-LJQANCHMSA-N 2 1 340.515 3.699 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651705750 1041944258 /nfs/dbraw/zinc/94/42/58/1041944258.db2.gz FERFJFZLBDBKMV-LJQANCHMSA-N 2 1 340.515 3.699 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cn1 ZINC000800223511 1041980486 /nfs/dbraw/zinc/98/04/86/1041980486.db2.gz FCVYIAYHQBMDJX-ICSRJNTNSA-N 2 1 347.466 3.787 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000047978548 1042272074 /nfs/dbraw/zinc/27/20/74/1042272074.db2.gz JIZKQBZYONMPEC-UHFFFAOYSA-N 2 1 342.487 3.599 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661872387 1042379760 /nfs/dbraw/zinc/37/97/60/1042379760.db2.gz AUUPNCILJTVPGB-FPOVZHCZSA-N 2 1 339.483 3.962 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(Cl)cccc2Cl)C1 ZINC000652361114 1042419171 /nfs/dbraw/zinc/41/91/71/1042419171.db2.gz YLPMJTJKWKAKID-DQYPLSBCSA-N 2 1 343.298 3.854 20 0 EHADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000245639870 1042501934 /nfs/dbraw/zinc/50/19/34/1042501934.db2.gz DCCTYVORQKUWRK-BLIXFSHQSA-N 2 1 328.500 3.747 20 0 EHADMP c1csc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)c1 ZINC000662249099 1042633308 /nfs/dbraw/zinc/63/33/08/1042633308.db2.gz OWRWWCOVMSDRDE-SFHVURJKSA-N 2 1 342.508 3.575 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nsc3ccccc32)C[C@H]1c1ccccc1 ZINC000662273737 1042650380 /nfs/dbraw/zinc/65/03/80/1042650380.db2.gz ZIZBYVHABMFRTB-AEFFLSMTSA-N 2 1 337.492 3.513 20 0 EHADMP CC1(C)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@@H]1C(F)(F)F ZINC000662280431 1042653956 /nfs/dbraw/zinc/65/39/56/1042653956.db2.gz DKHHAMHEKWJXLR-INIZCTEOSA-N 2 1 326.406 3.743 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298482 1042665965 /nfs/dbraw/zinc/66/59/65/1042665965.db2.gz WIPISPUZRNXJST-INIZCTEOSA-N 2 1 345.512 3.923 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCC(C)C ZINC000062427127 1042672462 /nfs/dbraw/zinc/67/24/62/1042672462.db2.gz IRZJWJCEBXLTGL-SFHVURJKSA-N 2 1 334.504 3.550 20 0 EHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321433 1042684333 /nfs/dbraw/zinc/68/43/33/1042684333.db2.gz IEYMKZLUJOXDOO-PKOBYXMFSA-N 2 1 326.484 3.943 20 0 EHADMP Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000162295589 1042718571 /nfs/dbraw/zinc/71/85/71/1042718571.db2.gz CPNZFTNGRKOLBO-HUUCEWRRSA-N 2 1 333.501 3.804 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000162323914 1042720013 /nfs/dbraw/zinc/72/00/13/1042720013.db2.gz MYEVQUGRUAVKMQ-AWEZNQCLSA-N 2 1 328.460 3.568 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465231 1042884651 /nfs/dbraw/zinc/88/46/51/1042884651.db2.gz IRIXPZQMMJHNDS-QFBILLFUSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000663465231 1042884654 /nfs/dbraw/zinc/88/46/54/1042884654.db2.gz IRIXPZQMMJHNDS-QFBILLFUSA-N 2 1 336.907 3.739 20 0 EHADMP Cc1cc(C)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000303109935 1042913149 /nfs/dbraw/zinc/91/31/49/1042913149.db2.gz BHNLABREYPPFOA-BGYRXZFFSA-N 2 1 344.543 3.933 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)F ZINC000925783341 1042956959 /nfs/dbraw/zinc/95/69/59/1042956959.db2.gz NOHLJINLNRFBHU-YPMHNXCESA-N 2 1 334.357 3.574 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001167826024 1042958302 /nfs/dbraw/zinc/95/83/02/1042958302.db2.gz MBEPXZPBHRIADE-IAGOWNOFSA-N 2 1 326.525 3.551 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001167836830 1043042555 /nfs/dbraw/zinc/04/25/55/1043042555.db2.gz HXBDWLVKQUZMSW-DLBZAZTESA-N 2 1 336.524 3.883 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001167838777 1043051727 /nfs/dbraw/zinc/05/17/27/1043051727.db2.gz WQJNHLVUHZGLAE-PMACEKPBSA-N 2 1 331.548 3.876 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418363 1043140218 /nfs/dbraw/zinc/14/02/18/1043140218.db2.gz RLLMAEFXGFZFKF-BEFAXECRSA-N 2 1 336.907 3.882 20 0 EHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432417080 1043142365 /nfs/dbraw/zinc/14/23/65/1043142365.db2.gz KGGPORKTMIERIZ-ICSRJNTNSA-N 2 1 346.515 3.608 20 0 EHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432425523 1043174877 /nfs/dbraw/zinc/17/48/77/1043174877.db2.gz NAOMOVPFDYKZCJ-ZWKOTPCHSA-N 2 1 334.504 3.625 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCCS2 ZINC000279048998 1043262592 /nfs/dbraw/zinc/26/25/92/1043262592.db2.gz XVYMRLVTYCTYSJ-PBHICJAKSA-N 2 1 343.496 3.671 20 0 EHADMP C(=C\C[N@H+]1CCCc2occc2C1)\C[NH+]1CCCc2occc2C1 ZINC000344261747 1043548150 /nfs/dbraw/zinc/54/81/50/1043548150.db2.gz KBVMEMWDVVIVRQ-UPHRSURJSA-N 2 1 326.440 3.625 20 0 EHADMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000188676199 1043616637 /nfs/dbraw/zinc/61/66/37/1043616637.db2.gz XFMXELBUNQCDGL-QFIPXVFZSA-N 2 1 344.543 3.614 20 0 EHADMP Fc1ccccc1Oc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000279565027 1044236721 /nfs/dbraw/zinc/23/67/21/1044236721.db2.gz SFDRHACKOVTXTH-IAGOWNOFSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000279565027 1044236730 /nfs/dbraw/zinc/23/67/30/1044236730.db2.gz SFDRHACKOVTXTH-IAGOWNOFSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000279565027 1044236745 /nfs/dbraw/zinc/23/67/45/1044236745.db2.gz SFDRHACKOVTXTH-IAGOWNOFSA-N 2 1 341.430 3.729 20 0 EHADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000172093076 1126779943 /nfs/dbraw/zinc/77/99/43/1126779943.db2.gz VZUOJSNJCMYYCQ-YJBOKZPZSA-N 2 1 333.520 3.532 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344044 1126922802 /nfs/dbraw/zinc/92/28/02/1126922802.db2.gz VFSLNFSHRFUMDV-HXUWFJFHSA-N 2 1 329.532 3.635 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344044 1126922805 /nfs/dbraw/zinc/92/28/05/1126922805.db2.gz VFSLNFSHRFUMDV-HXUWFJFHSA-N 3 1 329.532 3.635 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000623344044 1126922808 /nfs/dbraw/zinc/92/28/08/1126922808.db2.gz VFSLNFSHRFUMDV-HXUWFJFHSA-N 3 1 329.532 3.635 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623363146 1126930159 /nfs/dbraw/zinc/93/01/59/1126930159.db2.gz BSXXIJOBAVRXLH-CQSZACIVSA-N 2 1 340.895 3.710 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623363146 1126930163 /nfs/dbraw/zinc/93/01/63/1126930163.db2.gz BSXXIJOBAVRXLH-CQSZACIVSA-N 2 1 340.895 3.710 20 0 EHADMP FC1(F)CC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000380031674 1126934499 /nfs/dbraw/zinc/93/44/99/1126934499.db2.gz GNXTVFPHAXHLPB-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000380031674 1126934502 /nfs/dbraw/zinc/93/45/02/1126934502.db2.gz GNXTVFPHAXHLPB-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000380031674 1126934505 /nfs/dbraw/zinc/93/45/05/1126934505.db2.gz GNXTVFPHAXHLPB-OTWHNJEPSA-N 2 1 334.454 3.876 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381802 1126938881 /nfs/dbraw/zinc/93/88/81/1126938881.db2.gz IONDWLQSVYFZGH-PBHICJAKSA-N 2 1 344.478 3.843 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381802 1126938883 /nfs/dbraw/zinc/93/88/83/1126938883.db2.gz IONDWLQSVYFZGH-PBHICJAKSA-N 2 1 344.478 3.843 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623449291 1126958463 /nfs/dbraw/zinc/95/84/63/1126958463.db2.gz PSMXLMXRFGKDBB-IZZBFERCSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623449291 1126958467 /nfs/dbraw/zinc/95/84/67/1126958467.db2.gz PSMXLMXRFGKDBB-IZZBFERCSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623449291 1126958469 /nfs/dbraw/zinc/95/84/69/1126958469.db2.gz PSMXLMXRFGKDBB-IZZBFERCSA-N 2 1 343.559 3.605 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1(C)C ZINC000623509612 1126969766 /nfs/dbraw/zinc/96/97/66/1126969766.db2.gz KOQVVTKFOHYFSX-MRXNPFEDSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1(C)C ZINC000623509612 1126969770 /nfs/dbraw/zinc/96/97/70/1126969770.db2.gz KOQVVTKFOHYFSX-MRXNPFEDSA-N 2 1 343.446 3.975 20 0 EHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623525547 1126975225 /nfs/dbraw/zinc/97/52/25/1126975225.db2.gz RCNAMLBKVTYYHL-QUCCMNQESA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525547 1126975228 /nfs/dbraw/zinc/97/52/28/1126975228.db2.gz RCNAMLBKVTYYHL-QUCCMNQESA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525547 1126975231 /nfs/dbraw/zinc/97/52/31/1126975231.db2.gz RCNAMLBKVTYYHL-QUCCMNQESA-N 2 1 347.547 3.539 20 0 EHADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000623862438 1127200612 /nfs/dbraw/zinc/20/06/12/1127200612.db2.gz UFWWFLSZIDPTLN-NRFANRHFSA-N 2 1 331.548 3.762 20 0 EHADMP Cc1csc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000623886378 1127210181 /nfs/dbraw/zinc/21/01/81/1127210181.db2.gz ZXZDRSQNFZPRPN-AEFFLSMTSA-N 2 1 329.513 3.667 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000623890308 1127211304 /nfs/dbraw/zinc/21/13/04/1127211304.db2.gz IPGPQGVQPKJEHO-VXGBXAGGSA-N 2 1 349.828 3.616 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCCO1 ZINC000624016288 1127234322 /nfs/dbraw/zinc/23/43/22/1127234322.db2.gz SUVFVWSYZZDOEF-TYPHKJRUSA-N 2 1 342.527 3.836 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC ZINC000624019102 1127234880 /nfs/dbraw/zinc/23/48/80/1127234880.db2.gz HMDSTUPYWFWSJF-MRXNPFEDSA-N 2 1 346.515 3.979 20 0 EHADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000624121127 1127255377 /nfs/dbraw/zinc/25/53/77/1127255377.db2.gz OPEUZRCKFCLBED-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccccc2Br)CC[N@@H+]1C ZINC000181946756 1127303839 /nfs/dbraw/zinc/30/38/39/1127303839.db2.gz YHKYFJUGYXUDFH-ZBFHGGJFSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccccc2Br)CC[N@H+]1C ZINC000181946756 1127303843 /nfs/dbraw/zinc/30/38/43/1127303843.db2.gz YHKYFJUGYXUDFH-ZBFHGGJFSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946756 1127303847 /nfs/dbraw/zinc/30/38/47/1127303847.db2.gz YHKYFJUGYXUDFH-ZBFHGGJFSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946756 1127303849 /nfs/dbraw/zinc/30/38/49/1127303849.db2.gz YHKYFJUGYXUDFH-ZBFHGGJFSA-N 2 1 339.321 3.796 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000361365161 1127348675 /nfs/dbraw/zinc/34/86/75/1127348675.db2.gz JQDUGUSPXDEEBV-AYWYSENESA-N 2 1 342.527 3.977 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000361365161 1127348681 /nfs/dbraw/zinc/34/86/81/1127348681.db2.gz JQDUGUSPXDEEBV-AYWYSENESA-N 2 1 342.527 3.977 20 0 EHADMP COc1ccccc1CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687900 1127430392 /nfs/dbraw/zinc/43/03/92/1127430392.db2.gz WNHJMGDCJSQNJP-IEBWSBKVSA-N 2 1 330.516 3.870 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cnn1-c1ccccc1 ZINC000764641149 1127517116 /nfs/dbraw/zinc/51/71/16/1127517116.db2.gz MRQDIFQOIVEPBR-GOSISDBHSA-N 2 1 340.515 3.953 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cnn1-c1ccccc1 ZINC000765423182 1127609705 /nfs/dbraw/zinc/60/97/05/1127609705.db2.gz ATVZZDDDWSVIPD-MRXNPFEDSA-N 2 1 338.499 3.848 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c1 ZINC000921607274 1127760716 /nfs/dbraw/zinc/76/07/16/1127760716.db2.gz NQCOGAKRKRMAJK-PCCBWWKXSA-N 2 1 330.516 3.822 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921625360 1127894398 /nfs/dbraw/zinc/89/43/98/1127894398.db2.gz SJIXQBFJJZHHQM-GOSISDBHSA-N 2 1 325.456 3.695 20 0 EHADMP c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000126650048 1128088436 /nfs/dbraw/zinc/08/84/36/1128088436.db2.gz KNEFWHOWVHQZJF-UYAOXDASSA-N 2 1 346.478 3.742 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@H]2CCC[C@@H]21 ZINC000671744452 1128183144 /nfs/dbraw/zinc/18/31/44/1128183144.db2.gz JERYKROHBOFUPR-AOIWGVFYSA-N 2 1 331.891 3.826 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1OC(F)F ZINC000067507239 1128242420 /nfs/dbraw/zinc/24/24/20/1128242420.db2.gz WVYUXBOGNYRYEX-CQSZACIVSA-N 2 1 342.430 3.507 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1OC(F)F ZINC000067507239 1128242423 /nfs/dbraw/zinc/24/24/23/1128242423.db2.gz WVYUXBOGNYRYEX-CQSZACIVSA-N 2 1 342.430 3.507 20 0 EHADMP CCCCCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000108428326 1128634806 /nfs/dbraw/zinc/63/48/06/1128634806.db2.gz ZTJKAAOHBHKHOO-GOSISDBHSA-N 2 1 334.504 3.696 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303678116 1128687216 /nfs/dbraw/zinc/68/72/16/1128687216.db2.gz IGTOTMAOJFCXAO-MOPGFXCFSA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303678116 1128687217 /nfs/dbraw/zinc/68/72/17/1128687217.db2.gz IGTOTMAOJFCXAO-MOPGFXCFSA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678116 1128687218 /nfs/dbraw/zinc/68/72/18/1128687218.db2.gz IGTOTMAOJFCXAO-MOPGFXCFSA-N 2 1 338.536 3.696 20 0 EHADMP C[N@H+]1CCC[C@H](CNCc2cccc3c2OCC3)[C@H]1c1cccs1 ZINC000921775519 1128751022 /nfs/dbraw/zinc/75/10/22/1128751022.db2.gz GAPXPYUKGPJTJC-APWZRJJASA-N 2 1 342.508 3.856 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)[C@H]1c1cccs1 ZINC000921775519 1128751028 /nfs/dbraw/zinc/75/10/28/1128751028.db2.gz GAPXPYUKGPJTJC-APWZRJJASA-N 2 1 342.508 3.856 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)[C@H]1c1cccs1 ZINC000921775519 1128751031 /nfs/dbraw/zinc/75/10/31/1128751031.db2.gz GAPXPYUKGPJTJC-APWZRJJASA-N 2 1 342.508 3.856 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000109068220 1120019423 /nfs/dbraw/zinc/01/94/23/1120019423.db2.gz KBWCQBAPZONPNN-MRXNPFEDSA-N 2 1 340.515 3.559 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(OC(F)F)cc1C ZINC001648835674 1120051340 /nfs/dbraw/zinc/05/13/40/1120051340.db2.gz YPXNRPLGRIJKDB-UHFFFAOYSA-N 2 1 338.442 3.869 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001648907141 1120065124 /nfs/dbraw/zinc/06/51/24/1120065124.db2.gz ZKFQGZJHCFQVNM-PFRQMTDMSA-N 2 1 330.516 3.509 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001648907141 1120065130 /nfs/dbraw/zinc/06/51/30/1120065130.db2.gz ZKFQGZJHCFQVNM-PFRQMTDMSA-N 2 1 330.516 3.509 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2C)c1 ZINC000083455345 1120135431 /nfs/dbraw/zinc/13/54/31/1120135431.db2.gz MCJPGTPEGCHYNG-UHFFFAOYSA-N 2 1 342.483 3.754 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095032 1120249314 /nfs/dbraw/zinc/24/93/14/1120249314.db2.gz OGFKPPVTARUQLR-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095032 1120249321 /nfs/dbraw/zinc/24/93/21/1120249321.db2.gz OGFKPPVTARUQLR-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095032 1120249326 /nfs/dbraw/zinc/24/93/26/1120249326.db2.gz OGFKPPVTARUQLR-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@H]21 ZINC000894095032 1120249331 /nfs/dbraw/zinc/24/93/31/1120249331.db2.gz OGFKPPVTARUQLR-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2C)C1 ZINC001648959676 1120280774 /nfs/dbraw/zinc/28/07/74/1120280774.db2.gz CLHAKUPUYAIOGK-CQSZACIVSA-N 2 1 325.294 3.579 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2OC)[C@H](C)C1 ZINC000186166789 1120447072 /nfs/dbraw/zinc/44/70/72/1120447072.db2.gz MCMNYLJSLOAADD-PMPSAXMXSA-N 2 1 340.533 3.544 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2OC)[C@H](C)C1 ZINC000186166789 1120447077 /nfs/dbraw/zinc/44/70/77/1120447077.db2.gz MCMNYLJSLOAADD-PMPSAXMXSA-N 2 1 340.533 3.544 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc3ccccc32)CC1 ZINC000191450526 1120674177 /nfs/dbraw/zinc/67/41/77/1120674177.db2.gz WMQVTJGLUWXSIU-UHFFFAOYSA-N 2 1 339.527 3.688 20 0 EHADMP CC(C)c1ccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192719896 1120744879 /nfs/dbraw/zinc/74/48/79/1120744879.db2.gz SZVPKUYGYJZOLW-UHFFFAOYSA-N 2 1 331.548 3.658 20 0 EHADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192759037 1120747746 /nfs/dbraw/zinc/74/77/46/1120747746.db2.gz MCLSFUUADGYCCK-QFIPXVFZSA-N 2 1 343.559 3.856 20 0 EHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477519 1120955975 /nfs/dbraw/zinc/95/59/75/1120955975.db2.gz CHURJECVDQWPCG-NQIIRXRSSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477519 1120955978 /nfs/dbraw/zinc/95/59/78/1120955978.db2.gz CHURJECVDQWPCG-NQIIRXRSSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477519 1120955981 /nfs/dbraw/zinc/95/59/81/1120955981.db2.gz CHURJECVDQWPCG-NQIIRXRSSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477519 1120955984 /nfs/dbraw/zinc/95/59/84/1120955984.db2.gz CHURJECVDQWPCG-NQIIRXRSSA-N 2 1 348.506 3.580 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000495148581 1120970635 /nfs/dbraw/zinc/97/06/35/1120970635.db2.gz OFHVNKORAFFORA-NQIIRXRSSA-N 2 1 336.479 3.888 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC001205136101 1121273934 /nfs/dbraw/zinc/27/39/34/1121273934.db2.gz NVTWCRJNPYESFO-GXTWGEPZSA-N 2 1 349.272 3.736 20 0 EHADMP CCN(CC)c1ncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000236943774 1121469242 /nfs/dbraw/zinc/46/92/42/1121469242.db2.gz NPWKPZBYKUEOKZ-UHFFFAOYSA-N 2 1 338.565 3.734 20 0 EHADMP CCN(CC)c1ncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000236943774 1121469246 /nfs/dbraw/zinc/46/92/46/1121469246.db2.gz NPWKPZBYKUEOKZ-UHFFFAOYSA-N 2 1 338.565 3.734 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166450302 1129030425 /nfs/dbraw/zinc/03/04/25/1129030425.db2.gz GNAFBRJRQCIPCO-BHIYHBOVSA-N 2 1 347.934 3.691 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000125774675 1122336852 /nfs/dbraw/zinc/33/68/52/1122336852.db2.gz BXFOAISSNRFWBY-HOTGVXAUSA-N 2 1 343.515 3.687 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000126537834 1122411291 /nfs/dbraw/zinc/41/12/91/1122411291.db2.gz QICYJCBLBVYYPV-RDTXWAMCSA-N 2 1 334.891 3.936 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000127320719 1122476619 /nfs/dbraw/zinc/47/66/19/1122476619.db2.gz IGTVWCDACRQKMJ-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000127320719 1122476621 /nfs/dbraw/zinc/47/66/21/1122476621.db2.gz IGTVWCDACRQKMJ-UHFFFAOYSA-N 2 1 340.240 3.615 20 0 EHADMP Cc1nccn1CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000127413993 1122483183 /nfs/dbraw/zinc/48/31/83/1122483183.db2.gz AFDSFUSLDFZPNE-INIZCTEOSA-N 2 1 344.528 3.797 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000127413993 1122483185 /nfs/dbraw/zinc/48/31/85/1122483185.db2.gz AFDSFUSLDFZPNE-INIZCTEOSA-N 2 1 344.528 3.797 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000127413993 1122483188 /nfs/dbraw/zinc/48/31/88/1122483188.db2.gz AFDSFUSLDFZPNE-INIZCTEOSA-N 2 1 344.528 3.797 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)[nH+]1 ZINC000497385019 1122539691 /nfs/dbraw/zinc/53/96/91/1122539691.db2.gz LKSQXMVBJQKAFN-DFQSSKMNSA-N 2 1 343.515 3.544 20 0 EHADMP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000923864757 1122770694 /nfs/dbraw/zinc/77/06/94/1122770694.db2.gz IRGTYIZGZSDLCK-SFHVURJKSA-N 2 1 340.471 3.878 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H]1COc2ccccc21 ZINC000556117620 1122825663 /nfs/dbraw/zinc/82/56/63/1122825663.db2.gz FCOUUSXSDMIOJH-QAKNJHSXSA-N 2 1 336.479 3.976 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H]1COc2ccccc21 ZINC000556117620 1122825666 /nfs/dbraw/zinc/82/56/66/1122825666.db2.gz FCOUUSXSDMIOJH-QAKNJHSXSA-N 2 1 336.479 3.976 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234041 1122887168 /nfs/dbraw/zinc/88/71/68/1122887168.db2.gz UHBGFQWODPRQKT-UNMCSNQZSA-N 3 1 343.559 3.753 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234041 1122887170 /nfs/dbraw/zinc/88/71/70/1122887170.db2.gz UHBGFQWODPRQKT-UNMCSNQZSA-N 3 1 343.559 3.753 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000131385057 1123095108 /nfs/dbraw/zinc/09/51/08/1123095108.db2.gz PHIYBCKYARTHOF-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000131385057 1123095111 /nfs/dbraw/zinc/09/51/11/1123095111.db2.gz PHIYBCKYARTHOF-HNNXBMFYSA-N 2 1 346.906 3.894 20 0 EHADMP COc1ccc(CC[N@H+](CCn2cc[nH+]c2C)CC(C)(C)C)cc1 ZINC000499055724 1123177079 /nfs/dbraw/zinc/17/70/79/1123177079.db2.gz NYARNNOSWMIBJJ-UHFFFAOYSA-N 2 1 329.488 3.791 20 0 EHADMP COc1ccc(CC[N@@H+](CCn2cc[nH+]c2C)CC(C)(C)C)cc1 ZINC000499055724 1123177081 /nfs/dbraw/zinc/17/70/81/1123177081.db2.gz NYARNNOSWMIBJJ-UHFFFAOYSA-N 2 1 329.488 3.791 20 0 EHADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000556922687 1123210660 /nfs/dbraw/zinc/21/06/60/1123210660.db2.gz FTPLRWWSOBJIDR-GVDBMIGSSA-N 2 1 338.417 3.829 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(CC)cc2)[C@@H](C)C1 ZINC000132346546 1123220651 /nfs/dbraw/zinc/22/06/51/1123220651.db2.gz BFSSMMCSTINIIG-GHTZIAJQSA-N 2 1 332.532 3.518 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCC1 ZINC000132579342 1123251803 /nfs/dbraw/zinc/25/18/03/1123251803.db2.gz JXBHUVJILVYROY-BBRMVZONSA-N 2 1 341.421 3.799 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000557014829 1123265012 /nfs/dbraw/zinc/26/50/12/1123265012.db2.gz YUECWMYLFUKPPG-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000557014829 1123265014 /nfs/dbraw/zinc/26/50/14/1123265014.db2.gz YUECWMYLFUKPPG-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000557014829 1123265017 /nfs/dbraw/zinc/26/50/17/1123265017.db2.gz YUECWMYLFUKPPG-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000557014829 1123265019 /nfs/dbraw/zinc/26/50/19/1123265019.db2.gz YUECWMYLFUKPPG-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CC(C)CCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245646667 1123908370 /nfs/dbraw/zinc/90/83/70/1123908370.db2.gz BSUGIVGNHRTIJD-MZADTFQBSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC1 ZINC000245712856 1123934015 /nfs/dbraw/zinc/93/40/15/1123934015.db2.gz NMVVNMFVENZOTI-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000245787246 1123951269 /nfs/dbraw/zinc/95/12/69/1123951269.db2.gz VMKONXHPUFRSGS-GOEBONIOSA-N 2 1 326.431 3.819 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000245787246 1123951272 /nfs/dbraw/zinc/95/12/72/1123951272.db2.gz VMKONXHPUFRSGS-GOEBONIOSA-N 2 1 326.431 3.819 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245903976 1123975118 /nfs/dbraw/zinc/97/51/18/1123975118.db2.gz OGIHFVWPGKEXDY-VAMGGRTRSA-N 2 1 330.516 3.820 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000172851158 1129167207 /nfs/dbraw/zinc/16/72/07/1129167207.db2.gz ZDRXHFUBNMARQB-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000172851158 1129167209 /nfs/dbraw/zinc/16/72/09/1129167209.db2.gz ZDRXHFUBNMARQB-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851158 1129167210 /nfs/dbraw/zinc/16/72/10/1129167210.db2.gz ZDRXHFUBNMARQB-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851158 1129167212 /nfs/dbraw/zinc/16/72/12/1129167212.db2.gz ZDRXHFUBNMARQB-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000421845825 1129178829 /nfs/dbraw/zinc/17/88/29/1129178829.db2.gz YAUJMIROPINPQD-UHOSZYNNSA-N 2 1 327.516 3.572 20 0 EHADMP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246446688 1124470185 /nfs/dbraw/zinc/47/01/85/1124470185.db2.gz OWLKTNPNPLQUDI-IGCXYCKISA-N 2 1 335.289 3.653 20 0 EHADMP Fc1ccccc1SCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246917633 1124566236 /nfs/dbraw/zinc/56/62/36/1124566236.db2.gz SJPBPFLMLVJWBV-MAUKXSAKSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246917633 1124566239 /nfs/dbraw/zinc/56/62/39/1124566239.db2.gz SJPBPFLMLVJWBV-MAUKXSAKSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246917633 1124566244 /nfs/dbraw/zinc/56/62/44/1124566244.db2.gz SJPBPFLMLVJWBV-MAUKXSAKSA-N 2 1 334.504 3.867 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000247060869 1124583525 /nfs/dbraw/zinc/58/35/25/1124583525.db2.gz NUJFACNAQJOYGN-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000247060869 1124583532 /nfs/dbraw/zinc/58/35/32/1124583532.db2.gz NUJFACNAQJOYGN-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2sccc2Cl)[C@@H](C)C1 ZINC000248822250 1124704009 /nfs/dbraw/zinc/70/40/09/1124704009.db2.gz XZOQTQIHPFLEDQ-DZGCQCFKSA-N 2 1 330.925 3.628 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248904082 1124717564 /nfs/dbraw/zinc/71/75/64/1124717564.db2.gz URTRNBROLPUQDM-MAUKXSAKSA-N 2 1 340.458 3.851 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000649415164 1124723070 /nfs/dbraw/zinc/72/30/70/1124723070.db2.gz MBBQEJLHMZESPO-XLIONFOSSA-N 2 1 337.467 3.838 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000649415164 1124723076 /nfs/dbraw/zinc/72/30/76/1124723076.db2.gz MBBQEJLHMZESPO-XLIONFOSSA-N 2 1 337.467 3.838 20 0 EHADMP CCc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)cc1 ZINC000091333607 1124975635 /nfs/dbraw/zinc/97/56/35/1124975635.db2.gz MDKGTVSQNKMMAT-NRFANRHFSA-N 2 1 331.548 3.563 20 0 EHADMP CCC[N@H+](Cc1ccc(Br)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836555 1125033079 /nfs/dbraw/zinc/03/30/79/1125033079.db2.gz XHJLKALYVLUWNY-OAHLLOKOSA-N 2 1 325.294 3.579 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2occc2Br)C1 ZINC000735320770 1131330975 /nfs/dbraw/zinc/33/09/75/1131330975.db2.gz MDFQQDJQHJBSKL-ZDUSSCGKSA-N 2 1 329.282 3.644 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000657309546 1129255722 /nfs/dbraw/zinc/25/57/22/1129255722.db2.gz GHHSFIXDWPOSND-GOSISDBHSA-N 2 1 340.515 3.815 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000466361649 1129402765 /nfs/dbraw/zinc/40/27/65/1129402765.db2.gz BSKWAGXTKIAJDW-GXRSIYKFSA-N 2 1 342.527 3.693 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)CC2 ZINC000358744169 1129412090 /nfs/dbraw/zinc/41/20/90/1129412090.db2.gz CZDCWAOPLVVINQ-GOSISDBHSA-N 2 1 334.504 3.790 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000358918541 1129427643 /nfs/dbraw/zinc/42/76/43/1129427643.db2.gz WNWVSFZDGSJMDB-VQIMIIECSA-N 2 1 346.515 3.935 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000358946580 1129428287 /nfs/dbraw/zinc/42/82/87/1129428287.db2.gz RFITUVSRYMKTHH-MAUKXSAKSA-N 2 1 332.488 3.545 20 0 EHADMP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000543447675 1129494681 /nfs/dbraw/zinc/49/46/81/1129494681.db2.gz RJQQZTPYLOBJNA-JOCHJYFZSA-N 2 1 340.511 3.874 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cccc(OC(F)(F)F)c1 ZINC000499903431 1129563248 /nfs/dbraw/zinc/56/32/48/1129563248.db2.gz AETGDFKXNPOLIL-UHFFFAOYSA-N 2 1 330.394 3.545 20 0 EHADMP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922684378 1129625355 /nfs/dbraw/zinc/62/53/55/1129625355.db2.gz IODQSNWWLHTNEJ-HZPDHXFCSA-N 2 1 337.305 3.516 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(F)c3)CCC2)s1 ZINC000922705342 1129634525 /nfs/dbraw/zinc/63/45/25/1129634525.db2.gz IHXBHQSGJZXOLB-UHFFFAOYSA-N 2 1 333.476 3.555 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000922730105 1129646214 /nfs/dbraw/zinc/64/62/14/1129646214.db2.gz JDQGHKIZPXUFRJ-QMCVQRASSA-N 2 1 326.406 3.828 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000922730105 1129646215 /nfs/dbraw/zinc/64/62/15/1129646215.db2.gz JDQGHKIZPXUFRJ-QMCVQRASSA-N 2 1 326.406 3.828 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994213 1129677074 /nfs/dbraw/zinc/67/70/74/1129677074.db2.gz OYVITJVIRYALSC-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994213 1129677077 /nfs/dbraw/zinc/67/70/77/1129677077.db2.gz OYVITJVIRYALSC-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994213 1129677080 /nfs/dbraw/zinc/67/70/80/1129677080.db2.gz OYVITJVIRYALSC-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994213 1129677082 /nfs/dbraw/zinc/67/70/82/1129677082.db2.gz OYVITJVIRYALSC-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657890169 1129681111 /nfs/dbraw/zinc/68/11/11/1129681111.db2.gz RDXIAUNONNJZLS-IBGZPJMESA-N 2 1 340.467 3.713 20 0 EHADMP CCO[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399666 1129856067 /nfs/dbraw/zinc/85/60/67/1129856067.db2.gz BLRLGEKQCVHZTF-VQTJNVASSA-N 2 1 330.516 3.692 20 0 EHADMP CCO[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399666 1129856070 /nfs/dbraw/zinc/85/60/70/1129856070.db2.gz BLRLGEKQCVHZTF-VQTJNVASSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc2ccccc12 ZINC000391761004 1129932156 /nfs/dbraw/zinc/93/21/56/1129932156.db2.gz AXGKDLZVLQZDIG-LIRRHRJNSA-N 2 1 329.875 3.757 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc2ccccc12 ZINC000391761004 1129932162 /nfs/dbraw/zinc/93/21/62/1129932162.db2.gz AXGKDLZVLQZDIG-LIRRHRJNSA-N 2 1 329.875 3.757 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000674758570 1130188741 /nfs/dbraw/zinc/18/87/41/1130188741.db2.gz NMQRKRWPPCOXNZ-AWEZNQCLSA-N 2 1 331.423 3.908 20 0 EHADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000675157278 1130270901 /nfs/dbraw/zinc/27/09/01/1130270901.db2.gz ZTGKNVLYJFZMQI-FQEVSTJZSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000675492373 1130412336 /nfs/dbraw/zinc/41/23/36/1130412336.db2.gz UMAVPVYFLLOZIP-RWMBFGLXSA-N 2 1 346.359 3.924 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000675728934 1130464379 /nfs/dbraw/zinc/46/43/79/1130464379.db2.gz JANXIUBCDIKQKQ-INIZCTEOSA-N 2 1 344.499 3.906 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222337 1130548017 /nfs/dbraw/zinc/54/80/17/1130548017.db2.gz KVGABIZREVAZPW-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222337 1130548020 /nfs/dbraw/zinc/54/80/20/1130548020.db2.gz KVGABIZREVAZPW-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222337 1130548023 /nfs/dbraw/zinc/54/80/23/1130548023.db2.gz KVGABIZREVAZPW-QAPCUYQASA-N 2 1 329.875 3.804 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000348020884 1131121351 /nfs/dbraw/zinc/12/13/51/1131121351.db2.gz ZWNJKSBRUFGDAO-KITAHSCOSA-N 2 1 344.543 3.787 20 0 EHADMP CC(C)OCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001172441197 1131742533 /nfs/dbraw/zinc/74/25/33/1131742533.db2.gz UTSPUGRHICXPAU-DYXWJJEUSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172448476 1131745452 /nfs/dbraw/zinc/74/54/52/1131745452.db2.gz MFVNBGKMLWNICJ-TZIWHRDSSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001172458433 1131750489 /nfs/dbraw/zinc/75/04/89/1131750489.db2.gz YUURBXXWKZUDKP-WSWWRLHASA-N 2 1 344.543 3.938 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172458415 1131751176 /nfs/dbraw/zinc/75/11/76/1131751176.db2.gz YPCWEVWKARKCDV-FPOVZHCZSA-N 2 1 332.532 3.939 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828231 1131854852 /nfs/dbraw/zinc/85/48/52/1131854852.db2.gz KRRIWJUCMFJOIE-ONTIZHBOSA-N 2 1 342.527 3.603 20 0 EHADMP Cc1ccc2c(c1)C[C@@H](N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001172840450 1131864281 /nfs/dbraw/zinc/86/42/81/1131864281.db2.gz YSPXXSXJUADQAX-NRFANRHFSA-N 2 1 335.495 3.814 20 0 EHADMP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001172849457 1131869595 /nfs/dbraw/zinc/86/95/95/1131869595.db2.gz MVTSNCCVKSUDQZ-CQSZACIVSA-N 2 1 333.838 3.627 20 0 EHADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC001172926746 1131907993 /nfs/dbraw/zinc/90/79/93/1131907993.db2.gz CESFBWZIPVDYQR-ANTGDGSKSA-N 2 1 346.515 3.725 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001173113979 1131971463 /nfs/dbraw/zinc/97/14/63/1131971463.db2.gz QPUZNWSUGWUTGU-XVAXZDLZSA-N 2 1 330.516 3.583 20 0 EHADMP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279023 1132039114 /nfs/dbraw/zinc/03/91/14/1132039114.db2.gz OAIOALXQEIRADQ-XKRYSZRTSA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)C1 ZINC001173279023 1132039117 /nfs/dbraw/zinc/03/91/17/1132039117.db2.gz OAIOALXQEIRADQ-XKRYSZRTSA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)C1 ZINC001173279023 1132039123 /nfs/dbraw/zinc/03/91/23/1132039123.db2.gz OAIOALXQEIRADQ-XKRYSZRTSA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1 ZINC001173279023 1132039130 /nfs/dbraw/zinc/03/91/30/1132039130.db2.gz OAIOALXQEIRADQ-XKRYSZRTSA-N 2 1 344.547 3.635 20 0 EHADMP CC[C@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)C1 ZINC001173284638 1132043588 /nfs/dbraw/zinc/04/35/88/1132043588.db2.gz RGRWUOFWSVERCT-OXJNMPFZSA-N 2 1 344.499 3.606 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173475908 1132074263 /nfs/dbraw/zinc/07/42/63/1132074263.db2.gz LJFHJOHUMRGYBJ-UHFFFAOYSA-N 2 1 346.396 3.521 20 0 EHADMP CCC(CC)[N@@H+]([C@H](C)CCCCC(=O)OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173444765 1132078649 /nfs/dbraw/zinc/07/86/49/1132078649.db2.gz JCHIZCROQDEZTF-JFIYKMOQSA-N 2 1 326.525 3.869 20 0 EHADMP C[N@@H+](CCOCC1CCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001168827048 1132571866 /nfs/dbraw/zinc/57/18/66/1132571866.db2.gz YENIUWCCQXAQIS-UHFFFAOYSA-N 2 1 345.531 3.827 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351355 1132645643 /nfs/dbraw/zinc/64/56/43/1132645643.db2.gz LDLKWAPIIFTHFF-IBGZPJMESA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351355 1132645645 /nfs/dbraw/zinc/64/56/45/1132645645.db2.gz LDLKWAPIIFTHFF-IBGZPJMESA-N 2 1 346.515 3.660 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3Cl)CC1)C2 ZINC001169098916 1132654072 /nfs/dbraw/zinc/65/40/72/1132654072.db2.gz MJLWOPLMUSDFIM-LDLYASANSA-N 2 1 347.934 3.519 20 0 EHADMP CC[C@@H]1CN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001169103167 1132655722 /nfs/dbraw/zinc/65/57/22/1132655722.db2.gz SXNOCHDGJMXIAI-KCZVDYSFSA-N 2 1 343.559 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cccc3OC(F)(F)F)C2 ZINC001169101191 1132655737 /nfs/dbraw/zinc/65/57/37/1132655737.db2.gz OZRZUWXFAUCYNS-JFILPPLUSA-N 2 1 340.389 3.787 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119050 1132664065 /nfs/dbraw/zinc/66/40/65/1132664065.db2.gz PKPCMPPFNSOYBH-UGNRZPKXSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119050 1132664069 /nfs/dbraw/zinc/66/40/69/1132664069.db2.gz PKPCMPPFNSOYBH-UGNRZPKXSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(Cl)c3)CCOCC1)C2 ZINC001169119074 1132664396 /nfs/dbraw/zinc/66/43/96/1132664396.db2.gz PTAUZZRDZBEBIN-REPLKXPHSA-N 2 1 348.918 3.647 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122617 1132664457 /nfs/dbraw/zinc/66/44/57/1132664457.db2.gz BTZWNWBWGDQJRM-HLPPOEQASA-N 2 1 339.405 3.766 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3Br)C2 ZINC001169108091 1132669295 /nfs/dbraw/zinc/66/92/95/1132669295.db2.gz OIHCWTVJEYBQNS-IPJQOSJUSA-N 2 1 335.289 3.651 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(Br)ccc3C1)C2 ZINC001169107492 1132670322 /nfs/dbraw/zinc/67/03/22/1132670322.db2.gz HZWYCRABNSUZJW-XLAORIBOSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3noc4ccc(F)cc43)CC1)C2 ZINC001169147100 1132676145 /nfs/dbraw/zinc/67/61/45/1132676145.db2.gz SROJFMOCAFZXQG-BJWYYQGGSA-N 2 1 343.446 3.772 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(COc3ccc(F)cc3)CC1)C2 ZINC001169153683 1132680695 /nfs/dbraw/zinc/68/06/95/1132680695.db2.gz LBACPPWHUONIGS-REPLKXPHSA-N 2 1 332.463 3.542 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](c2cccnc2C(F)(F)F)C2CC2)CC1 ZINC001169244750 1132708569 /nfs/dbraw/zinc/70/85/69/1132708569.db2.gz VEOFQZLBPJQBRO-OAHLLOKOSA-N 2 1 327.394 3.625 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715555 1132741981 /nfs/dbraw/zinc/74/19/81/1132741981.db2.gz QESIXQLZVNNQAI-WBVHZDCISA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715555 1132741984 /nfs/dbraw/zinc/74/19/84/1132741984.db2.gz QESIXQLZVNNQAI-WBVHZDCISA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715555 1132741988 /nfs/dbraw/zinc/74/19/88/1132741988.db2.gz QESIXQLZVNNQAI-WBVHZDCISA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715555 1132741990 /nfs/dbraw/zinc/74/19/90/1132741990.db2.gz QESIXQLZVNNQAI-WBVHZDCISA-N 2 1 338.923 3.609 20 0 EHADMP C[C@@H]1C[N@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011835 1132757376 /nfs/dbraw/zinc/75/73/76/1132757376.db2.gz GTLHBVSMIZEHMY-NXEZZACHSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011835 1132757384 /nfs/dbraw/zinc/75/73/84/1132757384.db2.gz GTLHBVSMIZEHMY-NXEZZACHSA-N 2 1 336.694 3.849 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206012475 1132777294 /nfs/dbraw/zinc/77/72/94/1132777294.db2.gz LVLWUSPGZUMDFY-STQMWFEESA-N 2 1 343.284 3.703 20 0 EHADMP CC(C)C[C@@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001177199881 1133038148 /nfs/dbraw/zinc/03/81/48/1133038148.db2.gz RCPKUQFJZXUVGM-UXHICEINSA-N 2 1 331.548 3.605 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC001177245484 1133045225 /nfs/dbraw/zinc/04/52/25/1133045225.db2.gz SNCKKQVZNYXKEI-UHFFFAOYSA-N 2 1 336.476 3.612 20 0 EHADMP C[N@@H+]1CCC[C@H](CNCc2c[nH]nc2C(C)(C)C)[C@H]1c1cccs1 ZINC001177913414 1133112057 /nfs/dbraw/zinc/11/20/57/1133112057.db2.gz ZEXDIEAIFJCDJY-PBHICJAKSA-N 2 1 346.544 3.941 20 0 EHADMP C[N@H+]1CCC[C@H](CNCc2c[nH]nc2C(C)(C)C)[C@H]1c1cccs1 ZINC001177913414 1133112060 /nfs/dbraw/zinc/11/20/60/1133112060.db2.gz ZEXDIEAIFJCDJY-PBHICJAKSA-N 2 1 346.544 3.941 20 0 EHADMP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Br ZINC001206310725 1133121431 /nfs/dbraw/zinc/12/14/31/1133121431.db2.gz ASGIRPOIUIZWPC-MRXNPFEDSA-N 2 1 325.294 3.708 20 0 EHADMP CC[C@H]1C[C@@H](C[NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CCO1 ZINC001178350936 1133158313 /nfs/dbraw/zinc/15/83/13/1133158313.db2.gz KSOSFLBFGBBHQY-UWJYYQICSA-N 2 1 345.531 3.834 20 0 EHADMP COc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cc(C(F)(F)F)c1 ZINC001179081496 1133227268 /nfs/dbraw/zinc/22/72/68/1133227268.db2.gz JWNREGULVAQPNY-UHFFFAOYSA-N 2 1 332.410 3.782 20 0 EHADMP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc(C(F)(F)F)c1 ZINC001179081496 1133227272 /nfs/dbraw/zinc/22/72/72/1133227272.db2.gz JWNREGULVAQPNY-UHFFFAOYSA-N 2 1 332.410 3.782 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005138 1133261508 /nfs/dbraw/zinc/26/15/08/1133261508.db2.gz NQFKNBIBEWFKDW-IRXDYDNUSA-N 2 1 337.552 3.736 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005138 1133261515 /nfs/dbraw/zinc/26/15/15/1133261515.db2.gz NQFKNBIBEWFKDW-IRXDYDNUSA-N 2 1 337.552 3.736 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005138 1133261518 /nfs/dbraw/zinc/26/15/18/1133261518.db2.gz NQFKNBIBEWFKDW-IRXDYDNUSA-N 2 1 337.552 3.736 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000769483171 1133287632 /nfs/dbraw/zinc/28/76/32/1133287632.db2.gz GUPUBRGFAZLLHD-BLLLJJGKSA-N 2 1 346.544 3.779 20 0 EHADMP C[C@@H](C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769682541 1133324429 /nfs/dbraw/zinc/32/44/29/1133324429.db2.gz SZJTXOWUOBUMRP-HOTGVXAUSA-N 2 1 341.540 3.532 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769647836 1133325945 /nfs/dbraw/zinc/32/59/45/1133325945.db2.gz VADRTERWCBKPAN-UHFFFAOYSA-N 2 1 334.895 3.701 20 0 EHADMP Cn1cccc1C[N@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001203260654 1133354809 /nfs/dbraw/zinc/35/48/09/1133354809.db2.gz ZPPXREJJFBQPIK-NSISKUIASA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001203260654 1133354815 /nfs/dbraw/zinc/35/48/15/1133354815.db2.gz ZPPXREJJFBQPIK-NSISKUIASA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001203260654 1133354821 /nfs/dbraw/zinc/35/48/21/1133354821.db2.gz ZPPXREJJFBQPIK-NSISKUIASA-N 2 1 343.540 3.819 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000769871381 1133360011 /nfs/dbraw/zinc/36/00/11/1133360011.db2.gz YPFXXVNZKJSBRA-HNNXBMFYSA-N 2 1 327.472 3.992 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C)ccc1OC ZINC000772452863 1133683077 /nfs/dbraw/zinc/68/30/77/1133683077.db2.gz ASGOKZMNJDKTKX-AZUAARDMSA-N 2 1 346.515 3.688 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C)ccc1OC ZINC000772452865 1133683190 /nfs/dbraw/zinc/68/31/90/1133683190.db2.gz ASGOKZMNJDKTKX-QUCCMNQESA-N 2 1 346.515 3.688 20 0 EHADMP CC(C)(C)[C@@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001183643751 1133834556 /nfs/dbraw/zinc/83/45/56/1133834556.db2.gz WPIVVEFZFBSRNK-VWPQPMDRSA-N 2 1 342.527 3.503 20 0 EHADMP CC(C)(C)[C@@]1(C[NH+]2C[C@@H]3COC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001183643751 1133834558 /nfs/dbraw/zinc/83/45/58/1133834558.db2.gz WPIVVEFZFBSRNK-VWPQPMDRSA-N 2 1 342.527 3.503 20 0 EHADMP CC(C)(C)[C@@]1(C[NH+]2C[C@@H]3COC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001183643751 1133834562 /nfs/dbraw/zinc/83/45/62/1133834562.db2.gz WPIVVEFZFBSRNK-VWPQPMDRSA-N 2 1 342.527 3.503 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC001184388040 1133934027 /nfs/dbraw/zinc/93/40/27/1133934027.db2.gz PATMVWGUBBCDRL-NQZOLGFYSA-N 2 1 326.406 3.739 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(F)nc2C)CC1)CC1CC1 ZINC000787210027 1133975866 /nfs/dbraw/zinc/97/58/66/1133975866.db2.gz GCVFPAFFRBZVKV-UHFFFAOYSA-N 2 1 333.495 3.863 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000788483830 1134137869 /nfs/dbraw/zinc/13/78/69/1134137869.db2.gz XEKZLLRICVOOPY-QZTJIDSGSA-N 2 1 336.545 3.758 20 0 EHADMP COc1c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc(Cl)c1Cl ZINC001206036150 1134148696 /nfs/dbraw/zinc/14/86/96/1134148696.db2.gz HCZALEDOWYMFQT-VXGBXAGGSA-N 2 1 331.287 3.809 20 0 EHADMP COC(=O)c1cccc(C[N@@H+]([C@@H]2CC[C@@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170119733 1134333585 /nfs/dbraw/zinc/33/35/85/1134333585.db2.gz BVDTYAONHJPSDJ-HUYLIWGRSA-N 2 1 344.499 3.734 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C1 ZINC001170139654 1134435396 /nfs/dbraw/zinc/43/53/96/1134435396.db2.gz VMCYNGKDDDWZCD-HMXCVIKNSA-N 2 1 342.527 3.931 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)ccc1OC ZINC000775393235 1134712504 /nfs/dbraw/zinc/71/25/04/1134712504.db2.gz FAZXRERJKWBTSV-MSOLQXFVSA-N 2 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@H+]2CC[C@@H](C)C2)ccc1OC ZINC000775393235 1134712509 /nfs/dbraw/zinc/71/25/09/1134712509.db2.gz FAZXRERJKWBTSV-MSOLQXFVSA-N 2 1 347.547 3.529 20 0 EHADMP COc1c(C)cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000793203686 1134882878 /nfs/dbraw/zinc/88/28/78/1134882878.db2.gz XMTXAIBSLNXHFM-HXUWFJFHSA-N 2 1 338.495 3.924 20 0 EHADMP Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570987 1134920178 /nfs/dbraw/zinc/92/01/78/1134920178.db2.gz RGEBAIUQZNKABO-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775495808 1134951266 /nfs/dbraw/zinc/95/12/66/1134951266.db2.gz CFKGKPQKPYYGQF-DENIHFKCSA-N 2 1 349.522 3.549 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cccc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205637939 1135157534 /nfs/dbraw/zinc/15/75/34/1135157534.db2.gz JYEXDDDDNCIECS-RYUDHWBXSA-N 2 1 345.712 3.909 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205637937 1135157701 /nfs/dbraw/zinc/15/77/01/1135157701.db2.gz JYEXDDDDNCIECS-NEPJUHHUSA-N 2 1 345.712 3.909 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205637941 1135157991 /nfs/dbraw/zinc/15/79/91/1135157991.db2.gz JYEXDDDDNCIECS-VXGBXAGGSA-N 2 1 345.712 3.909 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000808724919 1135722506 /nfs/dbraw/zinc/72/25/06/1135722506.db2.gz VORMSVPBUOBFIQ-FCHUYYIVSA-N 2 1 338.495 3.925 20 0 EHADMP CN(C)c1ccc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000775880144 1135837131 /nfs/dbraw/zinc/83/71/31/1135837131.db2.gz GHQDPGXUBBFVMM-OAQYLSRUSA-N 2 1 329.532 3.806 20 0 EHADMP C[N@H+](Cc1ccccc1N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705202 1135875201 /nfs/dbraw/zinc/87/52/01/1135875201.db2.gz PFIVESYUQORHRV-YOFSQIOKSA-N 2 1 327.516 3.734 20 0 EHADMP C[N@@H+](Cc1ccccc1N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705202 1135875202 /nfs/dbraw/zinc/87/52/02/1135875202.db2.gz PFIVESYUQORHRV-YOFSQIOKSA-N 2 1 327.516 3.734 20 0 EHADMP C[NH+](Cc1ccccc1N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809705202 1135875203 /nfs/dbraw/zinc/87/52/03/1135875203.db2.gz PFIVESYUQORHRV-YOFSQIOKSA-N 2 1 327.516 3.734 20 0 EHADMP C[NH+](Cc1ccccc1N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705202 1135875204 /nfs/dbraw/zinc/87/52/04/1135875204.db2.gz PFIVESYUQORHRV-YOFSQIOKSA-N 2 1 327.516 3.734 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cc[nH]c(=O)c3)cc2)C1 ZINC001199320392 1135897656 /nfs/dbraw/zinc/89/76/56/1135897656.db2.gz LEABANXOVWIJDP-CALCHBBNSA-N 2 1 339.483 3.555 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001199721383 1135922926 /nfs/dbraw/zinc/92/29/26/1135922926.db2.gz IBQFASGARRYMOJ-SBHAEUEKSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721383 1135922929 /nfs/dbraw/zinc/92/29/29/1135922929.db2.gz IBQFASGARRYMOJ-SBHAEUEKSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721383 1135922932 /nfs/dbraw/zinc/92/29/32/1135922932.db2.gz IBQFASGARRYMOJ-SBHAEUEKSA-N 2 1 343.559 3.750 20 0 EHADMP c1cc2c(cc1C[NH2+]C1CC[NH+](CC3CCCCC3)CC1)OCCO2 ZINC001199925005 1135938228 /nfs/dbraw/zinc/93/82/28/1135938228.db2.gz LRRJEYJCGRTNJY-UHFFFAOYSA-N 2 1 344.499 3.592 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000105442907 1135947881 /nfs/dbraw/zinc/94/78/81/1135947881.db2.gz IXTWTYHHKKVNCH-LLVKDONJSA-N 2 1 342.270 3.933 20 0 EHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)c1 ZINC001201411578 1136016155 /nfs/dbraw/zinc/01/61/55/1136016155.db2.gz QPIQDOJYVKVXTQ-GOSISDBHSA-N 2 1 346.540 3.771 20 0 EHADMP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510103 1136030928 /nfs/dbraw/zinc/03/09/28/1136030928.db2.gz XPTWOVWISNYDAS-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@@H](C)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201510103 1136030930 /nfs/dbraw/zinc/03/09/30/1136030930.db2.gz XPTWOVWISNYDAS-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510103 1136030933 /nfs/dbraw/zinc/03/09/33/1136030933.db2.gz XPTWOVWISNYDAS-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510103 1136030936 /nfs/dbraw/zinc/03/09/36/1136030936.db2.gz XPTWOVWISNYDAS-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP CSCCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001201689861 1136057037 /nfs/dbraw/zinc/05/70/37/1136057037.db2.gz KBAALDDUWMDWHP-UHFFFAOYSA-N 2 1 335.904 3.763 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC001201953907 1136077703 /nfs/dbraw/zinc/07/77/03/1136077703.db2.gz BXSRFJJIGJOFOK-FQUBMZHMSA-N 2 1 342.527 3.702 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1SC(F)F ZINC000776263321 1136114254 /nfs/dbraw/zinc/11/42/54/1136114254.db2.gz ADGGPJKOIXMXGR-NSHDSACASA-N 2 1 341.427 3.637 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCC(F)(F)F)CC2 ZINC001202319625 1136128285 /nfs/dbraw/zinc/12/82/85/1136128285.db2.gz QUQVDIMHUKNKBW-OAHLLOKOSA-N 2 1 330.394 3.908 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000850031060 1136200788 /nfs/dbraw/zinc/20/07/88/1136200788.db2.gz PMBFISUFJQJRJL-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000850175393 1136217409 /nfs/dbraw/zinc/21/74/09/1136217409.db2.gz XFAZCZDZMDARRC-ZWKOTPCHSA-N 2 1 343.446 3.975 20 0 EHADMP c1ccc(-c2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850396207 1136248328 /nfs/dbraw/zinc/24/83/28/1136248328.db2.gz HZJOYDBCMFMTCH-OAQYLSRUSA-N 2 1 336.479 3.697 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850458568 1136263087 /nfs/dbraw/zinc/26/30/87/1136263087.db2.gz VDPLLDFDUCYEJR-IBGZPJMESA-N 2 1 343.515 3.588 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850528695 1136279083 /nfs/dbraw/zinc/27/90/83/1136279083.db2.gz MNFCKVIDGDFTIA-FBRLZHCOSA-N 2 1 336.479 3.665 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528875 1136279115 /nfs/dbraw/zinc/27/91/15/1136279115.db2.gz NUBIXVBHAVJOFU-GWWNCLRWSA-N 2 1 348.490 3.950 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528875 1136279119 /nfs/dbraw/zinc/27/91/19/1136279119.db2.gz NUBIXVBHAVJOFU-GWWNCLRWSA-N 2 1 348.490 3.950 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@H](O)c4ccccc43)CC2)C1 ZINC000850529015 1136279291 /nfs/dbraw/zinc/27/92/91/1136279291.db2.gz MURBDSIYFBDOLT-GWKIZSTFSA-N 2 1 328.500 3.798 20 0 EHADMP CCn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813789047 1136362143 /nfs/dbraw/zinc/36/21/43/1136362143.db2.gz HPFPLOQSGKOLKO-IHWFROFDSA-N 2 1 338.499 3.578 20 0 EHADMP CCn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813789047 1136362146 /nfs/dbraw/zinc/36/21/46/1136362146.db2.gz HPFPLOQSGKOLKO-IHWFROFDSA-N 2 1 338.499 3.578 20 0 EHADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000851799488 1136408108 /nfs/dbraw/zinc/40/81/08/1136408108.db2.gz RZNGHGSTLZXOJD-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000851799488 1136408109 /nfs/dbraw/zinc/40/81/09/1136408109.db2.gz RZNGHGSTLZXOJD-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000851799488 1136408111 /nfs/dbraw/zinc/40/81/11/1136408111.db2.gz RZNGHGSTLZXOJD-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)[C@H]2CCCOCC2)CC1 ZINC001170788385 1136604338 /nfs/dbraw/zinc/60/43/38/1136604338.db2.gz QPAMPORPJUUKBV-YWHRJQNKSA-N 2 1 328.500 3.684 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170824334 1136716669 /nfs/dbraw/zinc/71/66/69/1136716669.db2.gz YIRSLHWVJLCXOG-MRXNPFEDSA-N 2 1 345.874 3.579 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C)s3)C2)ccn1 ZINC000856556422 1136794815 /nfs/dbraw/zinc/79/48/15/1136794815.db2.gz WPXBIHLOFKEZDZ-SFHVURJKSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000856556422 1136794817 /nfs/dbraw/zinc/79/48/17/1136794817.db2.gz WPXBIHLOFKEZDZ-SFHVURJKSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000856556422 1136794820 /nfs/dbraw/zinc/79/48/20/1136794820.db2.gz WPXBIHLOFKEZDZ-SFHVURJKSA-N 2 1 345.512 3.557 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000543708131 1136826826 /nfs/dbraw/zinc/82/68/26/1136826826.db2.gz BMOVOVUEXJFZEA-SCTDSRPQSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000543708131 1136826828 /nfs/dbraw/zinc/82/68/28/1136826828.db2.gz BMOVOVUEXJFZEA-SCTDSRPQSA-N 2 1 346.515 3.607 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000817896619 1136844286 /nfs/dbraw/zinc/84/42/86/1136844286.db2.gz METISSDJTSERNA-IKGGRYGDSA-N 2 1 337.250 3.761 20 0 EHADMP Fc1c(Cl)cccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817900410 1136844825 /nfs/dbraw/zinc/84/48/25/1136844825.db2.gz OUHMCEAXQILJKQ-APWZRJJASA-N 2 1 346.833 3.825 20 0 EHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817958447 1136851581 /nfs/dbraw/zinc/85/15/81/1136851581.db2.gz JTOXUTBGJBTJPW-BEFAXECRSA-N 2 1 345.487 3.592 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](CN)C2CCCC2)ccc1OC ZINC000817981592 1136854842 /nfs/dbraw/zinc/85/48/42/1136854842.db2.gz LRRUBNFAHADDDV-OXQOHEQNSA-N 2 1 347.547 3.705 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000818960697 1136891570 /nfs/dbraw/zinc/89/15/70/1136891570.db2.gz GLYUKJIVZGTGBP-FQEVSTJZSA-N 2 1 348.437 3.628 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000819126792 1136916707 /nfs/dbraw/zinc/91/67/07/1136916707.db2.gz SHJHIKPPPBPNRC-KRWDZBQOSA-N 2 1 346.437 3.837 20 0 EHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015225 1136931966 /nfs/dbraw/zinc/93/19/66/1136931966.db2.gz SZHDFZPLRNJYLC-VQTJNVASSA-N 2 1 343.515 3.677 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015225 1136931969 /nfs/dbraw/zinc/93/19/69/1136931969.db2.gz SZHDFZPLRNJYLC-VQTJNVASSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015225 1136931972 /nfs/dbraw/zinc/93/19/72/1136931972.db2.gz SZHDFZPLRNJYLC-VQTJNVASSA-N 2 1 343.515 3.677 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015225 1136931974 /nfs/dbraw/zinc/93/19/74/1136931974.db2.gz SZHDFZPLRNJYLC-VQTJNVASSA-N 2 1 343.515 3.677 20 0 EHADMP CC(=O)N(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000858251720 1136952831 /nfs/dbraw/zinc/95/28/31/1136952831.db2.gz TVOVZKOROSPVSX-UHFFFAOYSA-N 2 1 343.515 3.556 20 0 EHADMP OCc1cc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000858347396 1136960357 /nfs/dbraw/zinc/96/03/57/1136960357.db2.gz XJAHCLOVFPTGFD-KRWDZBQOSA-N 2 1 349.837 3.615 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]c(CO)c2)cc1 ZINC000858350376 1136960832 /nfs/dbraw/zinc/96/08/32/1136960832.db2.gz UCLJTRXNXIZXSC-MRXNPFEDSA-N 2 1 325.456 3.560 20 0 EHADMP COc1cncc(/C=C/CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859213079 1137007782 /nfs/dbraw/zinc/00/77/82/1137007782.db2.gz REHBCYSZYIWGQU-FNORWQNLSA-N 2 1 339.483 3.687 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170955666 1137012135 /nfs/dbraw/zinc/01/21/35/1137012135.db2.gz NWMPDQYZZUPLSZ-SFHVURJKSA-N 2 1 339.458 3.645 20 0 EHADMP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000824428568 1137137370 /nfs/dbraw/zinc/13/73/70/1137137370.db2.gz TXQLAKNXOLBCOC-PANBIXPWSA-N 2 1 330.541 3.913 20 0 EHADMP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000824428558 1137137529 /nfs/dbraw/zinc/13/75/29/1137137529.db2.gz TXQLAKNXOLBCOC-MNIJEXPFSA-N 2 1 330.541 3.913 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367767 1137140691 /nfs/dbraw/zinc/14/06/91/1137140691.db2.gz UXAGAZNDUUNOOG-CJNGLKHVSA-N 2 1 345.314 3.879 20 0 EHADMP Cc1ncc(CN(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)n1C ZINC000824912866 1137156526 /nfs/dbraw/zinc/15/65/26/1137156526.db2.gz BSRLSILGMCNDQD-JOCHJYFZSA-N 2 1 349.478 3.773 20 0 EHADMP Fc1cccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c21 ZINC001136984441 1137164296 /nfs/dbraw/zinc/16/42/96/1137164296.db2.gz LEQFGUQRKGRFJW-RTBURBONSA-N 2 1 349.453 3.871 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326738 1137212861 /nfs/dbraw/zinc/21/28/61/1137212861.db2.gz LROJWGMVGCPVKU-XLIONFOSSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326738 1137212863 /nfs/dbraw/zinc/21/28/63/1137212863.db2.gz LROJWGMVGCPVKU-XLIONFOSSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326738 1137212864 /nfs/dbraw/zinc/21/28/64/1137212864.db2.gz LROJWGMVGCPVKU-XLIONFOSSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccccc3)C2)s1 ZINC000844326738 1137212866 /nfs/dbraw/zinc/21/28/66/1137212866.db2.gz LROJWGMVGCPVKU-XLIONFOSSA-N 2 1 344.524 3.544 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001144115201 1137240092 /nfs/dbraw/zinc/24/00/92/1137240092.db2.gz DIAUQRDIHLYQGX-UHFFFAOYSA-N 2 1 340.467 3.782 20 0 EHADMP CCc1noc(C)c1[C@@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827001 1137267820 /nfs/dbraw/zinc/26/78/20/1137267820.db2.gz GQFXOLABSPRDEB-QAPCUYQASA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794827001 1137267822 /nfs/dbraw/zinc/26/78/22/1137267822.db2.gz GQFXOLABSPRDEB-QAPCUYQASA-N 2 1 327.472 3.718 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827001 1137267824 /nfs/dbraw/zinc/26/78/24/1137267824.db2.gz GQFXOLABSPRDEB-QAPCUYQASA-N 2 1 327.472 3.718 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@H]3CCSC3)CC23CC3)cc1 ZINC000865650418 1137301536 /nfs/dbraw/zinc/30/15/36/1137301536.db2.gz CXZGSIGGTVMMDO-OALUTQOASA-N 2 1 330.541 3.916 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@H]3CCSC3)CC23CC3)cc1 ZINC000865650418 1137301539 /nfs/dbraw/zinc/30/15/39/1137301539.db2.gz CXZGSIGGTVMMDO-OALUTQOASA-N 2 1 330.541 3.916 20 0 EHADMP CC(C)([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCCO1 ZINC000865744109 1137308063 /nfs/dbraw/zinc/30/80/63/1137308063.db2.gz MPOJBZCNJONOPG-HXUWFJFHSA-N 2 1 348.506 3.770 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000846220084 1137342266 /nfs/dbraw/zinc/34/22/66/1137342266.db2.gz AYSPYMFFRDKALW-GFCCVEGCSA-N 2 1 335.439 3.860 20 0 EHADMP Cc1nccn1-c1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cn1 ZINC000121110294 1137361022 /nfs/dbraw/zinc/36/10/22/1137361022.db2.gz UQIZGXDKZHXBLX-GOSISDBHSA-N 2 1 340.377 3.631 20 0 EHADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000866699898 1137374420 /nfs/dbraw/zinc/37/44/20/1137374420.db2.gz PNDUSIPSJZLOPJ-UHFFFAOYSA-N 2 1 337.467 3.513 20 0 EHADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000866699898 1137374422 /nfs/dbraw/zinc/37/44/22/1137374422.db2.gz PNDUSIPSJZLOPJ-UHFFFAOYSA-N 2 1 337.467 3.513 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703557 1137374505 /nfs/dbraw/zinc/37/45/05/1137374505.db2.gz JVQCKNQAAZUXRH-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703557 1137374506 /nfs/dbraw/zinc/37/45/06/1137374506.db2.gz JVQCKNQAAZUXRH-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000866707877 1137375083 /nfs/dbraw/zinc/37/50/83/1137375083.db2.gz PETWMRBOXBWJBJ-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000866707877 1137375085 /nfs/dbraw/zinc/37/50/85/1137375085.db2.gz PETWMRBOXBWJBJ-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246774087 1137386932 /nfs/dbraw/zinc/38/69/32/1137386932.db2.gz BRDJYVWKVYSPIT-HOTGVXAUSA-N 2 1 325.294 3.658 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171356535 1137457068 /nfs/dbraw/zinc/45/70/68/1137457068.db2.gz BBTVVJNMSIVACQ-KBAYOESNSA-N 2 1 334.454 3.947 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccnc(Cl)c1 ZINC000122791753 1137467753 /nfs/dbraw/zinc/46/77/53/1137467753.db2.gz IRNDWBLYQPREHB-HNNXBMFYSA-N 2 1 329.875 3.834 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccnc(Cl)c1 ZINC000122791753 1137467754 /nfs/dbraw/zinc/46/77/54/1137467754.db2.gz IRNDWBLYQPREHB-HNNXBMFYSA-N 2 1 329.875 3.834 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc1 ZINC000773140992 1137469017 /nfs/dbraw/zinc/46/90/17/1137469017.db2.gz WJDNXJRWCWGLCW-QRVBRYPASA-N 2 1 348.581 3.620 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657163 1137487935 /nfs/dbraw/zinc/48/79/35/1137487935.db2.gz SXOKAGNCPLERKT-UBDQQSCGSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657163 1137487937 /nfs/dbraw/zinc/48/79/37/1137487937.db2.gz SXOKAGNCPLERKT-UBDQQSCGSA-N 2 1 327.497 3.847 20 0 EHADMP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001171558551 1137497938 /nfs/dbraw/zinc/49/79/38/1137497938.db2.gz LPCRKAOFFMMKCW-FQEVSTJZSA-N 2 1 338.470 3.941 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1(C)C ZINC001171630996 1137499762 /nfs/dbraw/zinc/49/97/62/1137499762.db2.gz STFBABABOCTQDJ-UHFFFAOYSA-N 2 1 329.410 3.841 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncn2Cc2ccccc2)CC1(C)C ZINC001171631318 1137499914 /nfs/dbraw/zinc/49/99/14/1137499914.db2.gz ZHHWHXFAABRCQB-UHFFFAOYSA-N 2 1 340.515 3.672 20 0 EHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678864 1137503480 /nfs/dbraw/zinc/50/34/80/1137503480.db2.gz HYWMDGSJHCODDC-SIKLNZKXSA-N 2 1 344.543 3.891 20 0 EHADMP CC1(C)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881995 1137516833 /nfs/dbraw/zinc/51/68/33/1137516833.db2.gz DABCFIBONCEMOX-JOCHJYFZSA-N 2 1 344.543 3.772 20 0 EHADMP CC1(C)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881995 1137516835 /nfs/dbraw/zinc/51/68/35/1137516835.db2.gz DABCFIBONCEMOX-JOCHJYFZSA-N 2 1 344.543 3.772 20 0 EHADMP CC1(C)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881995 1137516836 /nfs/dbraw/zinc/51/68/36/1137516836.db2.gz DABCFIBONCEMOX-JOCHJYFZSA-N 2 1 344.543 3.772 20 0 EHADMP CC1(C)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC001171881995 1137516838 /nfs/dbraw/zinc/51/68/38/1137516838.db2.gz DABCFIBONCEMOX-JOCHJYFZSA-N 2 1 344.543 3.772 20 0 EHADMP CC1(C)C[C@H](NCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966260 1137520333 /nfs/dbraw/zinc/52/03/33/1137520333.db2.gz UJNJOEHNDBOJAK-HXUWFJFHSA-N 2 1 329.532 3.505 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171966260 1137520335 /nfs/dbraw/zinc/52/03/35/1137520335.db2.gz UJNJOEHNDBOJAK-HXUWFJFHSA-N 2 1 329.532 3.505 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966260 1137520337 /nfs/dbraw/zinc/52/03/37/1137520337.db2.gz UJNJOEHNDBOJAK-HXUWFJFHSA-N 2 1 329.532 3.505 20 0 EHADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171968783 1137523419 /nfs/dbraw/zinc/52/34/19/1137523419.db2.gz RHCFRQWNIPRGSQ-NRFANRHFSA-N 2 1 343.559 3.892 20 0 EHADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970893 1137523865 /nfs/dbraw/zinc/52/38/65/1137523865.db2.gz GAXZPUKWUICZEW-IBGZPJMESA-N 2 1 346.515 3.753 20 0 EHADMP CCCc1cc(C[NH3+])nn1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974020 1137524486 /nfs/dbraw/zinc/52/44/86/1137524486.db2.gz BLUFCISGDFFBJV-FQEVSTJZSA-N 2 1 340.515 3.910 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976092 1137525431 /nfs/dbraw/zinc/52/54/31/1137525431.db2.gz HZQGGNXPNBBEBL-WOJBJXKFSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976092 1137525433 /nfs/dbraw/zinc/52/54/33/1137525433.db2.gz HZQGGNXPNBBEBL-WOJBJXKFSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976092 1137525434 /nfs/dbraw/zinc/52/54/34/1137525434.db2.gz HZQGGNXPNBBEBL-WOJBJXKFSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977983 1137525932 /nfs/dbraw/zinc/52/59/32/1137525932.db2.gz VOVAFWDZMBGWPL-CTNGQTDRSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977983 1137525933 /nfs/dbraw/zinc/52/59/33/1137525933.db2.gz VOVAFWDZMBGWPL-CTNGQTDRSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977983 1137525934 /nfs/dbraw/zinc/52/59/34/1137525934.db2.gz VOVAFWDZMBGWPL-CTNGQTDRSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@](F)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977993 1137526025 /nfs/dbraw/zinc/52/60/25/1137526025.db2.gz VPTSVDCSQXWWHL-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977993 1137526027 /nfs/dbraw/zinc/52/60/27/1137526027.db2.gz VPTSVDCSQXWWHL-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](F)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977993 1137526029 /nfs/dbraw/zinc/52/60/29/1137526029.db2.gz VPTSVDCSQXWWHL-FPOVZHCZSA-N 2 1 348.506 3.616 20 0 EHADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986199 1137527264 /nfs/dbraw/zinc/52/72/64/1137527264.db2.gz GKEUHEGBXZMKRJ-NHCUHLMSSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986199 1137527266 /nfs/dbraw/zinc/52/72/66/1137527266.db2.gz GKEUHEGBXZMKRJ-NHCUHLMSSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986199 1137527267 /nfs/dbraw/zinc/52/72/67/1137527267.db2.gz GKEUHEGBXZMKRJ-NHCUHLMSSA-N 2 1 343.559 3.844 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC3(C2)CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171985779 1137527372 /nfs/dbraw/zinc/52/73/72/1137527372.db2.gz ZQWWILJJDBEIQQ-HXUWFJFHSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC3(C2)CCOCC3)CC[NH+]1Cc1ccccc1 ZINC001171985779 1137527373 /nfs/dbraw/zinc/52/73/73/1137527373.db2.gz ZQWWILJJDBEIQQ-HXUWFJFHSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC3(C2)CCOCC3)CC[NH+]1Cc1ccccc1 ZINC001171985779 1137527374 /nfs/dbraw/zinc/52/73/74/1137527374.db2.gz ZQWWILJJDBEIQQ-HXUWFJFHSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171987813 1137528311 /nfs/dbraw/zinc/52/83/11/1137528311.db2.gz KDRBBNUGNLQIBU-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987813 1137528312 /nfs/dbraw/zinc/52/83/12/1137528312.db2.gz KDRBBNUGNLQIBU-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987813 1137528313 /nfs/dbraw/zinc/52/83/13/1137528313.db2.gz KDRBBNUGNLQIBU-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987813 1137528314 /nfs/dbraw/zinc/52/83/14/1137528314.db2.gz KDRBBNUGNLQIBU-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP C[NH+](C)C[C@@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073862 1137529698 /nfs/dbraw/zinc/52/96/98/1137529698.db2.gz DNCWWXVWXHSEPF-LNRXMEIDSA-N 2 1 341.543 3.598 20 0 EHADMP CC(C)(O)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077156 1137530538 /nfs/dbraw/zinc/53/05/38/1137530538.db2.gz PBKBWIZZRAEZMN-OWZKRDHZSA-N 2 1 330.516 3.713 20 0 EHADMP CCO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081442 1137531706 /nfs/dbraw/zinc/53/17/06/1137531706.db2.gz FPQSEXMUWQJIKX-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP CCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081442 1137531707 /nfs/dbraw/zinc/53/17/07/1137531707.db2.gz FPQSEXMUWQJIKX-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC001172069794 1137534827 /nfs/dbraw/zinc/53/48/27/1137534827.db2.gz XJDAWMIUDXFSEN-WOZUAGRISA-N 2 1 330.516 3.833 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125308 1137535049 /nfs/dbraw/zinc/53/50/49/1137535049.db2.gz PGKSAFZHRXWICH-RDGPPVDQSA-N 2 1 334.504 3.931 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125308 1137535051 /nfs/dbraw/zinc/53/50/51/1137535051.db2.gz PGKSAFZHRXWICH-RDGPPVDQSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125308 1137535053 /nfs/dbraw/zinc/53/50/53/1137535053.db2.gz PGKSAFZHRXWICH-RDGPPVDQSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125308 1137535055 /nfs/dbraw/zinc/53/50/55/1137535055.db2.gz PGKSAFZHRXWICH-RDGPPVDQSA-N 2 1 334.504 3.931 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1CC[NH2+]C3)C2 ZINC001172128804 1137535708 /nfs/dbraw/zinc/53/57/08/1137535708.db2.gz UJZOTGXAECNNBZ-ZSHCYNCHSA-N 2 1 327.447 3.614 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106496 1137537331 /nfs/dbraw/zinc/53/73/31/1137537331.db2.gz POKOHPIJGZBVLL-VWNVYAMZSA-N 2 1 338.495 3.868 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106496 1137537333 /nfs/dbraw/zinc/53/73/33/1137537333.db2.gz POKOHPIJGZBVLL-VWNVYAMZSA-N 2 1 338.495 3.868 20 0 EHADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117073 1137538275 /nfs/dbraw/zinc/53/82/75/1137538275.db2.gz FZYGDACZXAZKSH-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117073 1137538277 /nfs/dbraw/zinc/53/82/77/1137538277.db2.gz FZYGDACZXAZKSH-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001172114790 1137538439 /nfs/dbraw/zinc/53/84/39/1137538439.db2.gz QMHZCKXLPCPVCU-WCXIOVBPSA-N 2 1 341.474 3.784 20 0 EHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172228465 1137542459 /nfs/dbraw/zinc/54/24/59/1137542459.db2.gz DNQDLRUSZMYZDH-SEJPIABJSA-N 2 1 328.500 3.540 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172198681 1137543307 /nfs/dbraw/zinc/54/33/07/1137543307.db2.gz RPWOOSWRZGHRDP-SFHVURJKSA-N 2 1 342.483 3.793 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001172418931 1137556333 /nfs/dbraw/zinc/55/63/33/1137556333.db2.gz FUBORPMUKZXXCX-KRWDZBQOSA-N 2 1 336.545 3.851 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1F ZINC000872019316 1137564887 /nfs/dbraw/zinc/56/48/87/1137564887.db2.gz VPFOWCDYEWUUSS-OAHLLOKOSA-N 2 1 328.431 3.978 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccc(O)c1F ZINC000872030947 1137566290 /nfs/dbraw/zinc/56/62/90/1137566290.db2.gz DVZPJJZRUSOTTL-HNNXBMFYSA-N 2 1 346.446 3.713 20 0 EHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCOC1 ZINC000872033982 1137566690 /nfs/dbraw/zinc/56/66/90/1137566690.db2.gz DXMBEYVECDFRBS-SPVGOVNVSA-N 2 1 342.527 3.977 20 0 EHADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000872157345 1137574158 /nfs/dbraw/zinc/57/41/58/1137574158.db2.gz KUADLCZJKSNWIY-SFHVURJKSA-N 2 1 334.529 3.565 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158611 1137574498 /nfs/dbraw/zinc/57/44/98/1137574498.db2.gz WHXLLJVUZGLCFC-NQIIRXRSSA-N 2 1 343.515 3.765 20 0 EHADMP COc1ccccc1C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873202593 1137593940 /nfs/dbraw/zinc/59/39/40/1137593940.db2.gz ULRMBUHNZKMEBN-UHFFFAOYSA-N 2 1 328.481 3.567 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(Cl)c1OC ZINC000873223429 1137594385 /nfs/dbraw/zinc/59/43/85/1137594385.db2.gz MWFPEFIVCZOZCS-SFHVURJKSA-N 2 1 340.895 3.554 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(Cl)c1OC ZINC000873223429 1137594386 /nfs/dbraw/zinc/59/43/86/1137594386.db2.gz MWFPEFIVCZOZCS-SFHVURJKSA-N 2 1 340.895 3.554 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CCCCC1 ZINC000876708402 1137659411 /nfs/dbraw/zinc/65/94/11/1137659411.db2.gz PDOTXJMXNDATRH-MAEOIBBWSA-N 2 1 343.515 3.907 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762902 1137660644 /nfs/dbraw/zinc/66/06/44/1137660644.db2.gz BMQGFEQSSUFANP-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762902 1137660645 /nfs/dbraw/zinc/66/06/45/1137660645.db2.gz BMQGFEQSSUFANP-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000876762902 1137660646 /nfs/dbraw/zinc/66/06/46/1137660646.db2.gz BMQGFEQSSUFANP-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000876762902 1137660647 /nfs/dbraw/zinc/66/06/47/1137660647.db2.gz BMQGFEQSSUFANP-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762902 1137660648 /nfs/dbraw/zinc/66/06/48/1137660648.db2.gz BMQGFEQSSUFANP-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[NH+]1C ZINC000876762902 1137660649 /nfs/dbraw/zinc/66/06/49/1137660649.db2.gz BMQGFEQSSUFANP-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000877525271 1137679657 /nfs/dbraw/zinc/67/96/57/1137679657.db2.gz XSAXLCQLIDHJHC-QGZVFWFLSA-N 2 1 347.503 3.854 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877739618 1137687583 /nfs/dbraw/zinc/68/75/83/1137687583.db2.gz PBOQNTAPJZCXLS-QZTJIDSGSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877739618 1137687584 /nfs/dbraw/zinc/68/75/84/1137687584.db2.gz PBOQNTAPJZCXLS-QZTJIDSGSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877739618 1137687585 /nfs/dbraw/zinc/68/75/85/1137687585.db2.gz PBOQNTAPJZCXLS-QZTJIDSGSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877739618 1137687586 /nfs/dbraw/zinc/68/75/86/1137687586.db2.gz PBOQNTAPJZCXLS-QZTJIDSGSA-N 2 1 327.497 3.645 20 0 EHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743037 1137687787 /nfs/dbraw/zinc/68/77/87/1137687787.db2.gz SYRXOWGUXTUWSR-FRFSOERESA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743037 1137687788 /nfs/dbraw/zinc/68/77/88/1137687788.db2.gz SYRXOWGUXTUWSR-FRFSOERESA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743037 1137687789 /nfs/dbraw/zinc/68/77/89/1137687789.db2.gz SYRXOWGUXTUWSR-FRFSOERESA-N 2 1 326.406 3.835 20 0 EHADMP C[N@H+](C[C@H]1CCC2(CCC2)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151283 1137704681 /nfs/dbraw/zinc/70/46/81/1137704681.db2.gz WYJKLUJPGLHGJN-VQTJNVASSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@H]1CCC2(CCC2)O1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151283 1137704682 /nfs/dbraw/zinc/70/46/82/1137704682.db2.gz WYJKLUJPGLHGJN-VQTJNVASSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@H]1CCC2(CCC2)O1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151283 1137704683 /nfs/dbraw/zinc/70/46/83/1137704683.db2.gz WYJKLUJPGLHGJN-VQTJNVASSA-N 2 1 328.500 3.542 20 0 EHADMP Brc1ccccc1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000878252724 1137708690 /nfs/dbraw/zinc/70/86/90/1137708690.db2.gz SRZCDWRMNIFSGY-CQSZACIVSA-N 2 1 334.261 3.594 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137174203 1137822916 /nfs/dbraw/zinc/82/29/16/1137822916.db2.gz ADMAICSQZYLSPP-UHFFFAOYSA-N 2 1 332.451 3.677 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000883378939 1137858256 /nfs/dbraw/zinc/85/82/56/1137858256.db2.gz GKEWVEVYIBKAHT-PXNSSMCTSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000883378939 1137858257 /nfs/dbraw/zinc/85/82/57/1137858257.db2.gz GKEWVEVYIBKAHT-PXNSSMCTSA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCC4(COC4)CC2)C3)cc1 ZINC000883380359 1137858289 /nfs/dbraw/zinc/85/82/89/1137858289.db2.gz JVWSQKZMXHZVEN-MZADTFQBSA-N 2 1 340.511 3.731 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2ccccc2[nH]c1=O ZINC001137188563 1137858317 /nfs/dbraw/zinc/85/83/17/1137858317.db2.gz CRGGDWUILGMIOX-OALUTQOASA-N 2 1 339.483 3.779 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC001137188563 1137858318 /nfs/dbraw/zinc/85/83/18/1137858318.db2.gz CRGGDWUILGMIOX-OALUTQOASA-N 2 1 339.483 3.779 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC001137188563 1137858319 /nfs/dbraw/zinc/85/83/19/1137858319.db2.gz CRGGDWUILGMIOX-OALUTQOASA-N 2 1 339.483 3.779 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc(C)c1O ZINC000348261159 1137886387 /nfs/dbraw/zinc/88/63/87/1137886387.db2.gz KYERRLKRLSYJQN-UHFFFAOYSA-N 2 1 339.483 3.752 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000348273061 1137891828 /nfs/dbraw/zinc/89/18/28/1137891828.db2.gz RWTMWRZZHXSQDW-HXUWFJFHSA-N 2 1 338.430 3.885 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282885136 1137899826 /nfs/dbraw/zinc/89/98/26/1137899826.db2.gz XDHPJBWWYNVOFC-GOSISDBHSA-N 2 1 340.515 3.559 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282885136 1137899827 /nfs/dbraw/zinc/89/98/27/1137899827.db2.gz XDHPJBWWYNVOFC-GOSISDBHSA-N 2 1 340.515 3.559 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282885136 1137899828 /nfs/dbraw/zinc/89/98/28/1137899828.db2.gz XDHPJBWWYNVOFC-GOSISDBHSA-N 2 1 340.515 3.559 20 0 EHADMP C[N@H+](CCCO)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000115546640 1137922326 /nfs/dbraw/zinc/92/23/26/1137922326.db2.gz PQAZXIUJMREADW-UHFFFAOYSA-N 2 1 336.479 3.535 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000115546640 1137922327 /nfs/dbraw/zinc/92/23/27/1137922327.db2.gz PQAZXIUJMREADW-UHFFFAOYSA-N 2 1 336.479 3.535 20 0 EHADMP NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000332530343 1137946411 /nfs/dbraw/zinc/94/64/11/1137946411.db2.gz PTEGEEKRKJCRGR-VQIMIIECSA-N 2 1 347.478 3.516 20 0 EHADMP FC(F)(F)SCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000886179061 1138056468 /nfs/dbraw/zinc/05/64/68/1138056468.db2.gz LXGAIGOWOWCYTF-UHFFFAOYSA-N 2 1 333.423 3.652 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cnn(C)c1 ZINC000886517603 1138088398 /nfs/dbraw/zinc/08/83/98/1138088398.db2.gz JRXRHFHQAFNITL-FQEVSTJZSA-N 2 1 332.536 3.752 20 0 EHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccncc1 ZINC000886536689 1138092376 /nfs/dbraw/zinc/09/23/76/1138092376.db2.gz NBKOJYHAQYFQEK-UDDWMFPDSA-N 2 1 335.495 3.828 20 0 EHADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886536348 1138092441 /nfs/dbraw/zinc/09/24/41/1138092441.db2.gz GFUDMACNZDSLAV-MQGJPIDWSA-N 2 1 335.495 3.655 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2)C1CC1 ZINC000886623401 1138103091 /nfs/dbraw/zinc/10/30/91/1138103091.db2.gz CQJFJCHNKNRQBL-VWPQPMDRSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000886623401 1138103093 /nfs/dbraw/zinc/10/30/93/1138103093.db2.gz CQJFJCHNKNRQBL-VWPQPMDRSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886623401 1138103095 /nfs/dbraw/zinc/10/30/95/1138103095.db2.gz CQJFJCHNKNRQBL-VWPQPMDRSA-N 3 1 341.543 3.504 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886625086 1138103323 /nfs/dbraw/zinc/10/33/23/1138103323.db2.gz IHEYBFGYUWEUSY-WVNMJAPOSA-N 2 1 342.527 3.833 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876120 1138163043 /nfs/dbraw/zinc/16/30/43/1138163043.db2.gz JNBPNKMBHPWKLI-PCCBWWKXSA-N 2 1 328.500 3.762 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000089512994 1138200630 /nfs/dbraw/zinc/20/06/30/1138200630.db2.gz GPRZQTORLFTKAL-KRWDZBQOSA-N 3 1 347.547 3.541 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400439 1138210350 /nfs/dbraw/zinc/21/03/50/1138210350.db2.gz OEYHFYMARDKXTR-NUEKZKHPSA-N 2 1 337.305 3.597 20 0 EHADMP CC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818840 1138241886 /nfs/dbraw/zinc/24/18/86/1138241886.db2.gz KIBYVZVXMAYVPT-SFHVURJKSA-N 2 1 329.513 3.796 20 0 EHADMP CC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818840 1138241888 /nfs/dbraw/zinc/24/18/88/1138241888.db2.gz KIBYVZVXMAYVPT-SFHVURJKSA-N 2 1 329.513 3.796 20 0 EHADMP CC[NH+](Cc1scnc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818840 1138241889 /nfs/dbraw/zinc/24/18/89/1138241889.db2.gz KIBYVZVXMAYVPT-SFHVURJKSA-N 2 1 329.513 3.796 20 0 EHADMP CC[NH+](Cc1scnc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818840 1138241891 /nfs/dbraw/zinc/24/18/91/1138241891.db2.gz KIBYVZVXMAYVPT-SFHVURJKSA-N 2 1 329.513 3.796 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(F)c1 ZINC000123122831 1138266866 /nfs/dbraw/zinc/26/68/66/1138266866.db2.gz UDBKHFDPMWNWDQ-INIZCTEOSA-N 2 1 349.494 3.515 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@H](C)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000128021030 1138378050 /nfs/dbraw/zinc/37/80/50/1138378050.db2.gz BVWFPXYRMXOCPU-AWEZNQCLSA-N 2 1 342.462 3.595 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2c(Cl)cnn2C)C1 ZINC000130507415 1138459062 /nfs/dbraw/zinc/45/90/62/1138459062.db2.gz OOFQRNKOVKKLCL-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000130803670 1138477648 /nfs/dbraw/zinc/47/76/48/1138477648.db2.gz GIOUFTLOYFOYBR-MRXNPFEDSA-N 2 1 342.487 3.664 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000130803670 1138477649 /nfs/dbraw/zinc/47/76/49/1138477649.db2.gz GIOUFTLOYFOYBR-MRXNPFEDSA-N 2 1 342.487 3.664 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000337749274 1138658477 /nfs/dbraw/zinc/65/84/77/1138658477.db2.gz IDJMSEKRVGIBFB-MRXNPFEDSA-N 2 1 330.394 3.535 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000338006943 1138721781 /nfs/dbraw/zinc/72/17/81/1138721781.db2.gz DPNPPWPRGQKPQX-SNVBAGLBSA-N 2 1 328.279 3.756 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000338010494 1138723262 /nfs/dbraw/zinc/72/32/62/1138723262.db2.gz UWGKDNPILIVNLA-YYWHXJBOSA-N 2 1 348.506 3.651 20 0 EHADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000135262986 1138738281 /nfs/dbraw/zinc/73/82/81/1138738281.db2.gz UJYZFGNUOLOEJG-FAXKSRBJSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000135262986 1138738283 /nfs/dbraw/zinc/73/82/83/1138738283.db2.gz UJYZFGNUOLOEJG-FAXKSRBJSA-N 2 1 338.499 3.575 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000338186684 1138779803 /nfs/dbraw/zinc/77/98/03/1138779803.db2.gz IUUJTIFNMPZOKJ-HDICACEKSA-N 2 1 345.531 3.521 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC[NH+](C)C)s2)cc1 ZINC000151947194 1139066148 /nfs/dbraw/zinc/06/61/48/1139066148.db2.gz RHQRZPBTQVGGOQ-ZDUSSCGKSA-N 2 1 333.501 3.729 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000176494983 1139560980 /nfs/dbraw/zinc/56/09/80/1139560980.db2.gz IBDZIKQCGGZHHF-CYBMUJFWSA-N 2 1 343.862 3.661 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000178695961 1139713459 /nfs/dbraw/zinc/71/34/59/1139713459.db2.gz VLWSBRYVJTWOCP-HXUWFJFHSA-N 2 1 336.483 3.729 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000178894733 1139724076 /nfs/dbraw/zinc/72/40/76/1139724076.db2.gz LPKFZDOVVCHCEI-NSHDSACASA-N 2 1 329.341 3.775 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)cn1 ZINC000180177256 1139816737 /nfs/dbraw/zinc/81/67/37/1139816737.db2.gz IJZPAMDJYLOSGR-QVKFZJNVSA-N 2 1 332.451 3.907 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000182232405 1139959010 /nfs/dbraw/zinc/95/90/10/1139959010.db2.gz ULXYIAWTYPZVPE-FGZHOGPDSA-N 2 1 338.495 3.884 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000183197920 1140019797 /nfs/dbraw/zinc/01/97/97/1140019797.db2.gz ARAWLAUVPGDBEH-FNJBUYFMSA-N 2 1 348.556 3.728 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183553809 1140046329 /nfs/dbraw/zinc/04/63/29/1140046329.db2.gz WGXYAXXXKYHEJR-FOIQADDNSA-N 2 1 338.430 3.741 20 0 EHADMP CC1(C)OCc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000186349015 1140199294 /nfs/dbraw/zinc/19/92/94/1140199294.db2.gz FZGYFHVXFDRVEA-GOSISDBHSA-N 2 1 344.499 3.640 20 0 EHADMP CC1(C)OCc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000186349015 1140199297 /nfs/dbraw/zinc/19/92/97/1140199297.db2.gz FZGYFHVXFDRVEA-GOSISDBHSA-N 2 1 344.499 3.640 20 0 EHADMP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197035 1140243356 /nfs/dbraw/zinc/24/33/56/1140243356.db2.gz ZMPYNZUYXAOXIT-PXNSSMCTSA-N 2 1 349.950 3.545 20 0 EHADMP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197035 1140243359 /nfs/dbraw/zinc/24/33/59/1140243359.db2.gz ZMPYNZUYXAOXIT-PXNSSMCTSA-N 2 1 349.950 3.545 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268743082 1140980686 /nfs/dbraw/zinc/98/06/86/1140980686.db2.gz SZMXRZYRRFDAGZ-GHTZIAJQSA-N 2 1 340.515 3.533 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268743082 1140980693 /nfs/dbraw/zinc/98/06/93/1140980693.db2.gz SZMXRZYRRFDAGZ-GHTZIAJQSA-N 2 1 340.515 3.533 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000268756726 1140984334 /nfs/dbraw/zinc/98/43/34/1140984334.db2.gz LYIHMCMKTMZWKX-VBKZILBWSA-N 2 1 339.414 3.704 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000268765638 1140987245 /nfs/dbraw/zinc/98/72/45/1140987245.db2.gz BRBOCOIHSOINPW-XOBRGWDASA-N 2 1 339.414 3.704 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000268890577 1141019795 /nfs/dbraw/zinc/01/97/95/1141019795.db2.gz ULQRVOKCGXESSK-SNVBAGLBSA-N 2 1 328.279 3.756 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000268933436 1141028976 /nfs/dbraw/zinc/02/89/76/1141028976.db2.gz NFTFBPJFMHRJKB-AMGDKJTDSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933436 1141028982 /nfs/dbraw/zinc/02/89/82/1141028982.db2.gz NFTFBPJFMHRJKB-AMGDKJTDSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933436 1141028990 /nfs/dbraw/zinc/02/89/90/1141028990.db2.gz NFTFBPJFMHRJKB-AMGDKJTDSA-N 2 1 341.543 3.644 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268942939 1141031879 /nfs/dbraw/zinc/03/18/79/1141031879.db2.gz AHLZOZLXPQENDN-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269009999 1141044982 /nfs/dbraw/zinc/04/49/82/1141044982.db2.gz NKCHOCMGAZRHRE-WIYYLYMNSA-N 2 1 341.543 3.646 20 0 EHADMP c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698323 1141136119 /nfs/dbraw/zinc/13/61/19/1141136119.db2.gz XUSPBSREHCHNNW-UTKZUKDTSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698323 1141136123 /nfs/dbraw/zinc/13/61/23/1141136123.db2.gz XUSPBSREHCHNNW-UTKZUKDTSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698323 1141136127 /nfs/dbraw/zinc/13/61/27/1141136127.db2.gz XUSPBSREHCHNNW-UTKZUKDTSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698323 1141136130 /nfs/dbraw/zinc/13/61/30/1141136130.db2.gz XUSPBSREHCHNNW-UTKZUKDTSA-N 2 1 337.467 3.790 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000270550895 1141238281 /nfs/dbraw/zinc/23/82/81/1141238281.db2.gz ZSFTYQPJRZHADO-XUVXKRRUSA-N 2 1 328.500 3.574 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000271536649 1141390422 /nfs/dbraw/zinc/39/04/22/1141390422.db2.gz XSZLWOAPOLNJPX-VBKZILBWSA-N 2 1 339.414 3.704 20 0 EHADMP Cc1nc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c(C)[nH+]1 ZINC000348728931 1141571359 /nfs/dbraw/zinc/57/13/59/1141571359.db2.gz ONSSHHBHQRMMBP-UHFFFAOYSA-N 2 1 338.499 3.668 20 0 EHADMP Clc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000283201837 1141572197 /nfs/dbraw/zinc/57/21/97/1141572197.db2.gz RLAZVIJVCJFVFE-SWLSCSKDSA-N 2 1 340.298 3.837 20 0 EHADMP C[C@H](C[NH2+]Cc1cc(Br)cs1)C[NH+]1CCCCC1 ZINC000037997593 213185762 /nfs/dbraw/zinc/18/57/62/213185762.db2.gz NBXCIIICZJKZOU-GFCCVEGCSA-N 2 1 331.323 3.722 20 0 EHADMP Cc1cc2[nH]ccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164628475 719082829 /nfs/dbraw/zinc/08/28/29/719082829.db2.gz RUWJOMPLJJDMKI-RXVVDRJESA-N 2 1 346.478 3.972 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(C)C ZINC000459395129 1032058103 /nfs/dbraw/zinc/05/81/03/1032058103.db2.gz UTVBYUIESKRHQL-OAHLLOKOSA-N 2 1 332.488 3.760 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1Sc1ccccc1 ZINC000459396870 1032063788 /nfs/dbraw/zinc/06/37/88/1032063788.db2.gz WVHBXTIHPDMKCH-VAMGGRTRSA-N 2 1 346.540 3.541 20 0 EHADMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000449035360 1032074593 /nfs/dbraw/zinc/07/45/93/1032074593.db2.gz GSBDLBSBNFBGFK-UHFFFAOYSA-N 3 1 349.588 3.685 20 0 EHADMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000449035360 1032074580 /nfs/dbraw/zinc/07/45/80/1032074580.db2.gz GSBDLBSBNFBGFK-UHFFFAOYSA-N 2 1 349.588 3.685 20 0 EHADMP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000449035360 1032074613 /nfs/dbraw/zinc/07/46/13/1032074613.db2.gz GSBDLBSBNFBGFK-UHFFFAOYSA-N 3 1 349.588 3.685 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426441 1014403189 /nfs/dbraw/zinc/40/31/89/1014403189.db2.gz LXQOTZDGVNFYNP-NRFANRHFSA-N 2 1 337.467 3.792 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426441 1014403193 /nfs/dbraw/zinc/40/31/93/1014403193.db2.gz LXQOTZDGVNFYNP-NRFANRHFSA-N 2 1 337.467 3.792 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426441 1014403200 /nfs/dbraw/zinc/40/32/00/1014403200.db2.gz LXQOTZDGVNFYNP-NRFANRHFSA-N 2 1 337.467 3.792 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426441 1014403205 /nfs/dbraw/zinc/40/32/05/1014403205.db2.gz LXQOTZDGVNFYNP-NRFANRHFSA-N 2 1 337.467 3.792 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cccn2)c(F)c1 ZINC000339428306 1014408175 /nfs/dbraw/zinc/40/81/75/1014408175.db2.gz GBIKGZQCIRQOLG-MRXNPFEDSA-N 2 1 330.451 3.538 20 0 EHADMP Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548155 1014509071 /nfs/dbraw/zinc/50/90/71/1014509071.db2.gz NEDYGFOTVQEXGK-CMPLNLGQSA-N 2 1 341.318 3.762 20 0 EHADMP C[C@H]([NH2+]CCn1cnc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274748570 1014800334 /nfs/dbraw/zinc/80/03/34/1014800334.db2.gz BGVCSUWSYOYPAW-ICSRJNTNSA-N 2 1 348.494 3.537 20 0 EHADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000683228104 1015160882 /nfs/dbraw/zinc/16/08/82/1015160882.db2.gz UCPHSJPCKBGPAC-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000179416621 1015382599 /nfs/dbraw/zinc/38/25/99/1015382599.db2.gz HSHDYDFBFKSOBD-LBPRGKRZSA-N 2 1 336.277 3.688 20 0 EHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000538116448 1032141632 /nfs/dbraw/zinc/14/16/32/1032141632.db2.gz KMMHIJOWRBWMCB-ZACQAIPSSA-N 2 1 338.923 3.750 20 0 EHADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904576730 1032141777 /nfs/dbraw/zinc/14/17/77/1032141777.db2.gz KXOLTVKKTGDETC-WMLDXEAASA-N 2 1 328.460 3.768 20 0 EHADMP Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597380 1016344217 /nfs/dbraw/zinc/34/42/17/1016344217.db2.gz PFXNRONAUOZZKX-GOSISDBHSA-N 2 1 336.479 3.977 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000076443402 1016349465 /nfs/dbraw/zinc/34/94/65/1016349465.db2.gz AMWXBOVHVUHJCF-AZUAARDMSA-N 2 1 338.495 3.910 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cnc4ccccc4c3)C2)cc1 ZINC000311209496 1016395872 /nfs/dbraw/zinc/39/58/72/1016395872.db2.gz OJVPYMNVFPVHKJ-LJQANCHMSA-N 2 1 331.463 3.847 20 0 EHADMP COCC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000361317824 1016496866 /nfs/dbraw/zinc/49/68/66/1016496866.db2.gz CUQNDZLNKIDNQO-OAQYLSRUSA-N 2 1 342.527 3.791 20 0 EHADMP COCC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000361317824 1016496877 /nfs/dbraw/zinc/49/68/77/1016496877.db2.gz CUQNDZLNKIDNQO-OAQYLSRUSA-N 2 1 342.527 3.791 20 0 EHADMP COCC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000361317824 1016496890 /nfs/dbraw/zinc/49/68/90/1016496890.db2.gz CUQNDZLNKIDNQO-OAQYLSRUSA-N 2 1 342.527 3.791 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180178571 1016891495 /nfs/dbraw/zinc/89/14/95/1016891495.db2.gz CWBMFXOCBOUGNR-YQQQUEKLSA-N 2 1 344.499 3.503 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000449081440 1032172171 /nfs/dbraw/zinc/17/21/71/1032172171.db2.gz FGWHXSQHXVUHPG-MOPGFXCFSA-N 2 1 335.580 3.882 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449090327 1032194999 /nfs/dbraw/zinc/19/49/99/1032194999.db2.gz MYXXDRXWKJOVLW-GFCCVEGCSA-N 2 1 342.270 3.946 20 0 EHADMP CC(C)CCOCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536729756 1032204226 /nfs/dbraw/zinc/20/42/26/1032204226.db2.gz PGSIJKUOYBXFCO-UHFFFAOYSA-N 2 1 333.520 3.683 20 0 EHADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000538269611 1032260871 /nfs/dbraw/zinc/26/08/71/1032260871.db2.gz JIUMPOGDPNEZBH-NQIIRXRSSA-N 2 1 328.500 3.601 20 0 EHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000538269613 1032262045 /nfs/dbraw/zinc/26/20/45/1032262045.db2.gz JIUMPOGDPNEZBH-WIYYLYMNSA-N 2 1 328.500 3.601 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304278 1032284918 /nfs/dbraw/zinc/28/49/18/1032284918.db2.gz FRHWGJNESUIITO-QFBILLFUSA-N 2 1 347.934 3.856 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304278 1032284929 /nfs/dbraw/zinc/28/49/29/1032284929.db2.gz FRHWGJNESUIITO-QFBILLFUSA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304278 1032284939 /nfs/dbraw/zinc/28/49/39/1032284939.db2.gz FRHWGJNESUIITO-QFBILLFUSA-N 2 1 347.934 3.856 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CC[C@H]21 ZINC000538304278 1032284952 /nfs/dbraw/zinc/28/49/52/1032284952.db2.gz FRHWGJNESUIITO-QFBILLFUSA-N 2 1 347.934 3.856 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000538444880 1032373862 /nfs/dbraw/zinc/37/38/62/1032373862.db2.gz UKRHSOJUDPZZCR-UHFFFAOYSA-N 2 1 328.500 3.997 20 0 EHADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)c1 ZINC000422729453 1032405628 /nfs/dbraw/zinc/40/56/28/1032405628.db2.gz BSLTXPFMPWWUTR-FQEVSTJZSA-N 2 1 339.483 3.645 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000398007977 1032430489 /nfs/dbraw/zinc/43/04/89/1032430489.db2.gz AABPGAQZBAXRNU-URZJWIJPSA-N 2 1 335.495 3.756 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000398007977 1032430491 /nfs/dbraw/zinc/43/04/91/1032430491.db2.gz AABPGAQZBAXRNU-URZJWIJPSA-N 2 1 335.495 3.756 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000459734307 1032438002 /nfs/dbraw/zinc/43/80/02/1032438002.db2.gz OMEHVVWMHLOXIK-AWEZNQCLSA-N 2 1 332.879 3.552 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000459734106 1032438742 /nfs/dbraw/zinc/43/87/42/1032438742.db2.gz OCZPDVGSDXXSTR-QGZVFWFLSA-N 2 1 349.950 3.626 20 0 EHADMP c1c2cccnc2oc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449321329 1032452115 /nfs/dbraw/zinc/45/21/15/1032452115.db2.gz LMXRMRAUXYEMTL-JOCHJYFZSA-N 2 1 347.462 3.926 20 0 EHADMP c1c2cccnc2oc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449321329 1032452123 /nfs/dbraw/zinc/45/21/23/1032452123.db2.gz LMXRMRAUXYEMTL-JOCHJYFZSA-N 2 1 347.462 3.926 20 0 EHADMP c1c2cccnc2oc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449321329 1032452128 /nfs/dbraw/zinc/45/21/28/1032452128.db2.gz LMXRMRAUXYEMTL-JOCHJYFZSA-N 2 1 347.462 3.926 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccn1 ZINC000449396680 1032503790 /nfs/dbraw/zinc/50/37/90/1032503790.db2.gz MDJVXDVPDNAOSG-NJDAHSKKSA-N 2 1 349.522 3.859 20 0 EHADMP [NH3+]CCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423195825 1032515457 /nfs/dbraw/zinc/51/54/57/1032515457.db2.gz TYBNMJIESKKPDR-INIZCTEOSA-N 2 1 337.236 3.616 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000537110067 1032524780 /nfs/dbraw/zinc/52/47/80/1032524780.db2.gz LQFOUTHHDNXBGI-UHFFFAOYSA-N 2 1 346.515 3.981 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000090230994 1032566047 /nfs/dbraw/zinc/56/60/47/1032566047.db2.gz OFOKZAKLBCBCNB-SQWLQELKSA-N 2 1 344.421 3.793 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090723080 1032595131 /nfs/dbraw/zinc/59/51/31/1032595131.db2.gz KBPZKNSRKVEHFL-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090723080 1032595140 /nfs/dbraw/zinc/59/51/40/1032595140.db2.gz KBPZKNSRKVEHFL-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000449495622 1032662001 /nfs/dbraw/zinc/66/20/01/1032662001.db2.gz OSMUAKVEJPCPPR-CTNGQTDRSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1CCC[C@](C[NH2+]C2CCN(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000378888444 1017366123 /nfs/dbraw/zinc/36/61/23/1017366123.db2.gz OXPBJBDLDCPBBE-NQIIRXRSSA-N 2 1 329.532 3.756 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415021472 1017406757 /nfs/dbraw/zinc/40/67/57/1017406757.db2.gz UQUSOXQCKOTBAI-SJORKVTESA-N 2 1 334.467 3.673 20 0 EHADMP Cc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655704773 1017425686 /nfs/dbraw/zinc/42/56/86/1017425686.db2.gz KIRHFJCMGMOHIF-LJQANCHMSA-N 2 1 330.516 3.506 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655707967 1017443231 /nfs/dbraw/zinc/44/32/31/1017443231.db2.gz BWAWOTQNFIILLN-NHCUHLMSSA-N 2 1 346.490 3.900 20 0 EHADMP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000449513928 1032700136 /nfs/dbraw/zinc/70/01/36/1032700136.db2.gz UPFWQSNBLUIOKM-NHCUHLMSSA-N 2 1 332.532 3.530 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415076591 1017510001 /nfs/dbraw/zinc/51/00/01/1017510001.db2.gz DAACQZVYOLTTJL-UZKOGDIHSA-N 2 1 335.495 3.596 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071566 1017513825 /nfs/dbraw/zinc/51/38/25/1017513825.db2.gz WOLFRCAHEHJBJF-HNAYVOBHSA-N 2 1 331.504 3.634 20 0 EHADMP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415073316 1017515128 /nfs/dbraw/zinc/51/51/28/1017515128.db2.gz AWFCYCYXVOTCLB-BPAFIMBUSA-N 2 1 328.431 3.676 20 0 EHADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655754541 1017537512 /nfs/dbraw/zinc/53/75/12/1017537512.db2.gz CFRHYCDCTPYZTP-ZNLUXHQJSA-N 2 1 342.527 3.933 20 0 EHADMP COCc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1F ZINC000415089194 1017537463 /nfs/dbraw/zinc/53/74/63/1017537463.db2.gz YLWNVDBLZVIOOQ-ICSRJNTNSA-N 2 1 328.431 3.555 20 0 EHADMP COc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415095437 1017541651 /nfs/dbraw/zinc/54/16/51/1017541651.db2.gz ZPFKXRCMBYOTEN-RDJZCZTQSA-N 2 1 332.488 3.637 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000377301124 1017606339 /nfs/dbraw/zinc/60/63/39/1017606339.db2.gz YZHBUDCNUTUKIE-OAHLLOKOSA-N 2 1 330.394 3.544 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000377301124 1017606345 /nfs/dbraw/zinc/60/63/45/1017606345.db2.gz YZHBUDCNUTUKIE-OAHLLOKOSA-N 2 1 330.394 3.544 20 0 EHADMP COCCC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000377399450 1017744835 /nfs/dbraw/zinc/74/48/35/1017744835.db2.gz KWQMKNMATRDRSD-SOAGJPPSSA-N 2 1 334.479 3.900 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000655843768 1017750904 /nfs/dbraw/zinc/75/09/04/1017750904.db2.gz MHUOQJXVTBHFCK-GOSISDBHSA-N 2 1 325.500 3.760 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000091740207 1032720640 /nfs/dbraw/zinc/72/06/40/1032720640.db2.gz KXXBCBZKCGWTRQ-UHFFFAOYSA-N 2 1 328.859 3.663 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000091740207 1032720649 /nfs/dbraw/zinc/72/06/49/1032720649.db2.gz KXXBCBZKCGWTRQ-UHFFFAOYSA-N 2 1 328.859 3.663 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000655850895 1017777722 /nfs/dbraw/zinc/77/77/22/1017777722.db2.gz ZPDDMCYQZSEYRP-PBASOCQRSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000683726612 1018193095 /nfs/dbraw/zinc/19/30/95/1018193095.db2.gz HKQAFTOYHJCEMB-QGZVFWFLSA-N 2 1 338.451 3.800 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000377751443 1018319542 /nfs/dbraw/zinc/31/95/42/1018319542.db2.gz XQFKMEOVHNLFFI-DLBZAZTESA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000377751443 1018319552 /nfs/dbraw/zinc/31/95/52/1018319552.db2.gz XQFKMEOVHNLFFI-DLBZAZTESA-N 2 1 327.497 3.835 20 0 EHADMP CC(C)[N@@H+](C)CCCNCc1cccc(Br)c1Cl ZINC000706428606 1018546248 /nfs/dbraw/zinc/54/62/48/1018546248.db2.gz DTNTYUAOYWBJLZ-UHFFFAOYSA-N 2 1 333.701 3.922 20 0 EHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261952333 1018606924 /nfs/dbraw/zinc/60/69/24/1018606924.db2.gz NIGNKJKTHXTVJA-LBPRGKRZSA-N 2 1 344.286 3.525 20 0 EHADMP Brc1cccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089555517 1019222896 /nfs/dbraw/zinc/22/28/96/1019222896.db2.gz CIOXTZDIRQWVGE-IAGOWNOFSA-N 2 1 337.305 3.598 20 0 EHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@H](n2ccnc2)C1 ZINC000729266602 1019254535 /nfs/dbraw/zinc/25/45/35/1019254535.db2.gz PQGWSJOFOCTOOV-UZLBHIALSA-N 2 1 348.450 3.700 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734730 1019326677 /nfs/dbraw/zinc/32/66/77/1019326677.db2.gz CYIYAWHNVDOPOE-UHFFFAOYSA-N 2 1 337.305 3.723 20 0 EHADMP FC(F)Sc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172650065 1032826438 /nfs/dbraw/zinc/82/64/38/1032826438.db2.gz AFQDOOCSUFVXQS-OAHLLOKOSA-N 2 1 326.456 3.919 20 0 EHADMP FC(F)Sc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172650065 1032826450 /nfs/dbraw/zinc/82/64/50/1032826450.db2.gz AFQDOOCSUFVXQS-OAHLLOKOSA-N 2 1 326.456 3.919 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513332319 1019548439 /nfs/dbraw/zinc/54/84/39/1019548439.db2.gz ZLLDLLJFZNWJPG-TZIWHRDSSA-N 2 1 344.543 3.962 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513332319 1019548451 /nfs/dbraw/zinc/54/84/51/1019548451.db2.gz ZLLDLLJFZNWJPG-TZIWHRDSSA-N 2 1 344.543 3.962 20 0 EHADMP Cc1ncsc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513488165 1019745588 /nfs/dbraw/zinc/74/55/88/1019745588.db2.gz QBPZWZPGKFTUSZ-YJBOKZPZSA-N 2 1 329.513 3.842 20 0 EHADMP Fc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735170 1019759679 /nfs/dbraw/zinc/75/96/79/1019759679.db2.gz MQCWJVGJZUIWHC-UHFFFAOYSA-N 2 1 346.368 3.690 20 0 EHADMP CN1CC[C@@H](C[N@@H+](C)Cc2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000434012702 1019874738 /nfs/dbraw/zinc/87/47/38/1019874738.db2.gz QDMBSIGAMKMLRK-RXVVDRJESA-N 2 1 335.451 3.953 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542549 1020581439 /nfs/dbraw/zinc/58/14/39/1020581439.db2.gz KUKIZAOSGQDTGO-ZWKOTPCHSA-N 2 1 349.563 3.540 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542549 1020581443 /nfs/dbraw/zinc/58/14/43/1020581443.db2.gz KUKIZAOSGQDTGO-ZWKOTPCHSA-N 2 1 349.563 3.540 20 0 EHADMP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[N@H+]3CCCC[C@@H]3C)c(C)n2n1 ZINC000093398264 1032934050 /nfs/dbraw/zinc/93/40/50/1032934050.db2.gz HQOOEIQAXFOBFA-DLBZAZTESA-N 2 1 343.519 3.651 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206545 1020905553 /nfs/dbraw/zinc/90/55/53/1020905553.db2.gz HVBOHDDYGVEXJN-JKSUJKDBSA-N 2 1 326.488 3.655 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206545 1020905557 /nfs/dbraw/zinc/90/55/57/1020905557.db2.gz HVBOHDDYGVEXJN-JKSUJKDBSA-N 2 1 326.488 3.655 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000581515887 1021036074 /nfs/dbraw/zinc/03/60/74/1021036074.db2.gz NDHWQTBDDSDWNR-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000581515887 1021036080 /nfs/dbraw/zinc/03/60/80/1021036080.db2.gz NDHWQTBDDSDWNR-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000581515887 1021036086 /nfs/dbraw/zinc/03/60/86/1021036086.db2.gz NDHWQTBDDSDWNR-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000581515887 1021036091 /nfs/dbraw/zinc/03/60/91/1021036091.db2.gz NDHWQTBDDSDWNR-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP CC(C)Cn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000647168589 1021175421 /nfs/dbraw/zinc/17/54/21/1021175421.db2.gz BXQIZFYIZZIFEB-UHFFFAOYSA-N 2 1 340.515 3.815 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427277778 1021274626 /nfs/dbraw/zinc/27/46/26/1021274626.db2.gz TWBZLIHBIGKDPW-ZWKOTPCHSA-N 2 1 343.515 3.779 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H](C)c2ccccc2)cc1F ZINC000656789899 1021342733 /nfs/dbraw/zinc/34/27/33/1021342733.db2.gz CMZZKGGMYJVCGT-QSFXBCCZSA-N 2 1 342.458 3.673 20 0 EHADMP COc1ccc([C@@H]2CCNC[C@H]2[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC000414894062 1021395275 /nfs/dbraw/zinc/39/52/75/1021395275.db2.gz YVHASPMLNUBQED-PXNRFJLVSA-N 2 1 340.442 3.583 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000437104583 1021559972 /nfs/dbraw/zinc/55/99/72/1021559972.db2.gz PGNAALFBGUCPIK-CZUORRHYSA-N 2 1 326.406 3.667 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]CCc2ccc(C(C)(C)C)cc2)CCCO1 ZINC000579063290 1021670567 /nfs/dbraw/zinc/67/05/67/1021670567.db2.gz YGDQKSSOQNZYGB-SFHVURJKSA-N 2 1 332.532 3.617 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000519795583 1021681135 /nfs/dbraw/zinc/68/11/35/1021681135.db2.gz ZOPFYUSOTVCCKU-ZIAGYGMSSA-N 2 1 327.310 3.871 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000519795583 1021681142 /nfs/dbraw/zinc/68/11/42/1021681142.db2.gz ZOPFYUSOTVCCKU-ZIAGYGMSSA-N 2 1 327.310 3.871 20 0 EHADMP C[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000430613180 1021750507 /nfs/dbraw/zinc/75/05/07/1021750507.db2.gz VLMWRIXQGNFNJU-UHFFFAOYSA-N 2 1 326.440 3.542 20 0 EHADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000684423713 1021782594 /nfs/dbraw/zinc/78/25/94/1021782594.db2.gz CGGBSVRKBWJPTE-NRFANRHFSA-N 2 1 346.515 3.552 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000060368493 1021879073 /nfs/dbraw/zinc/87/90/73/1021879073.db2.gz BOVCENKQZKIJEO-IYBDPMFKSA-N 2 1 336.907 3.661 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@@H+]1C ZINC000593723366 1033017237 /nfs/dbraw/zinc/01/72/37/1033017237.db2.gz MNJGGCCYOQBIGE-RGCFKVTRSA-N 2 1 344.499 3.629 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@H+]1C ZINC000593723366 1033017242 /nfs/dbraw/zinc/01/72/42/1033017242.db2.gz MNJGGCCYOQBIGE-RGCFKVTRSA-N 2 1 344.499 3.629 20 0 EHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276623664 1022015842 /nfs/dbraw/zinc/01/58/42/1022015842.db2.gz ILMWBGVEBVCXPQ-ZDUSSCGKSA-N 2 1 326.469 3.745 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449676442 1033022951 /nfs/dbraw/zinc/02/29/51/1033022951.db2.gz HDCQRIZEFSDWCC-MSOLQXFVSA-N 2 1 340.515 3.649 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000164968961 1022110033 /nfs/dbraw/zinc/11/00/33/1022110033.db2.gz QKHXLUIPEGJLHG-CRFBAAHOSA-N 2 1 344.528 3.889 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000164968961 1022110040 /nfs/dbraw/zinc/11/00/40/1022110040.db2.gz QKHXLUIPEGJLHG-CRFBAAHOSA-N 2 1 344.528 3.889 20 0 EHADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441402304 1022217340 /nfs/dbraw/zinc/21/73/40/1022217340.db2.gz HGVHKMJWTIJGOP-QUCCMNQESA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402304 1022217354 /nfs/dbraw/zinc/21/73/54/1022217354.db2.gz HGVHKMJWTIJGOP-QUCCMNQESA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402304 1022217372 /nfs/dbraw/zinc/21/73/72/1022217372.db2.gz HGVHKMJWTIJGOP-QUCCMNQESA-N 2 1 328.500 3.631 20 0 EHADMP C[C@](C[NH3+])([NH2+]CCCCOc1ccccc1C(F)(F)F)C1CC1 ZINC000430553159 1022287066 /nfs/dbraw/zinc/28/70/66/1022287066.db2.gz CTGDVRMBFGPFMU-MRXNPFEDSA-N 2 1 330.394 3.581 20 0 EHADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517387474 1022297587 /nfs/dbraw/zinc/29/75/87/1022297587.db2.gz HHWWDHOWNFQIOU-NQIIRXRSSA-N 2 1 340.515 3.510 20 0 EHADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517387474 1022297597 /nfs/dbraw/zinc/29/75/97/1022297597.db2.gz HHWWDHOWNFQIOU-NQIIRXRSSA-N 2 1 340.515 3.510 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000425944045 1022338574 /nfs/dbraw/zinc/33/85/74/1022338574.db2.gz LDPCCOHDFNVPPF-WBVHZDCISA-N 2 1 328.504 3.646 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000550097151 1022421444 /nfs/dbraw/zinc/42/14/44/1022421444.db2.gz QRQIHWIORJDWNZ-JLSDUUJJSA-N 2 1 349.316 3.523 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000550097151 1022421452 /nfs/dbraw/zinc/42/14/52/1022421452.db2.gz QRQIHWIORJDWNZ-JLSDUUJJSA-N 2 1 349.316 3.523 20 0 EHADMP Cc1ccc(N2CCC([NH2+]CCCCOc3ccccc3)CC2)[nH+]c1 ZINC000438185768 1022459362 /nfs/dbraw/zinc/45/93/62/1022459362.db2.gz FAVGVOPACHKWBN-UHFFFAOYSA-N 2 1 339.483 3.808 20 0 EHADMP COc1ccccc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996167 1022575326 /nfs/dbraw/zinc/57/53/26/1022575326.db2.gz YFYIRIUKACDWKL-YOFSQIOKSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996167 1022575334 /nfs/dbraw/zinc/57/53/34/1022575334.db2.gz YFYIRIUKACDWKL-YOFSQIOKSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996167 1022575343 /nfs/dbraw/zinc/57/53/43/1022575343.db2.gz YFYIRIUKACDWKL-YOFSQIOKSA-N 2 1 328.500 3.575 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1)CC(F)(F)F ZINC001280267780 1022724712 /nfs/dbraw/zinc/72/47/12/1022724712.db2.gz AWGXPDHQWTUTFN-RDJZCZTQSA-N 2 1 348.453 3.684 20 0 EHADMP C[C@H](CN1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267780 1022724727 /nfs/dbraw/zinc/72/47/27/1022724727.db2.gz AWGXPDHQWTUTFN-RDJZCZTQSA-N 2 1 348.453 3.684 20 0 EHADMP C[C@H](CN1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267780 1022724739 /nfs/dbraw/zinc/72/47/39/1022724739.db2.gz AWGXPDHQWTUTFN-RDJZCZTQSA-N 2 1 348.453 3.684 20 0 EHADMP Fc1cc(F)c2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167977338 1022733750 /nfs/dbraw/zinc/73/37/50/1022733750.db2.gz BHZASEPSZWGKCW-IYHXRUFHSA-N 2 1 348.437 3.783 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414934647 1022772021 /nfs/dbraw/zinc/77/20/21/1022772021.db2.gz FJERMYSZXNWDOE-XJKSGUPXSA-N 2 1 340.895 3.615 20 0 EHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000414934789 1022776180 /nfs/dbraw/zinc/77/61/80/1022776180.db2.gz AKFQBCSMZHFAMB-HKNNVWPPSA-N 2 1 328.500 3.554 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)c2)CCO1 ZINC000510654751 1022836925 /nfs/dbraw/zinc/83/69/25/1022836925.db2.gz BHNRYDIFBZRLLD-JRGCBEDISA-N 2 1 348.506 3.915 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)c2)CCO1 ZINC000510654751 1022836941 /nfs/dbraw/zinc/83/69/41/1022836941.db2.gz BHNRYDIFBZRLLD-JRGCBEDISA-N 2 1 348.506 3.915 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782997 1022906414 /nfs/dbraw/zinc/90/64/14/1022906414.db2.gz OTMGLNSUKMFCFC-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782997 1022906420 /nfs/dbraw/zinc/90/64/20/1022906420.db2.gz OTMGLNSUKMFCFC-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782997 1022906422 /nfs/dbraw/zinc/90/64/22/1022906422.db2.gz OTMGLNSUKMFCFC-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782997 1022906424 /nfs/dbraw/zinc/90/64/24/1022906424.db2.gz OTMGLNSUKMFCFC-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782997 1022906427 /nfs/dbraw/zinc/90/64/27/1022906427.db2.gz OTMGLNSUKMFCFC-UKRRQHHQSA-N 2 1 335.904 3.866 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341661150 1022909591 /nfs/dbraw/zinc/90/95/91/1022909591.db2.gz TXSWXMFYONYRDS-CXAGYDPISA-N 2 1 333.863 3.985 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1[NH3+] ZINC000430946153 1022926371 /nfs/dbraw/zinc/92/63/71/1022926371.db2.gz ZORSUDJGKRKTDB-YWZLYKJASA-N 2 1 328.431 3.574 20 0 EHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000510721717 1022997347 /nfs/dbraw/zinc/99/73/47/1022997347.db2.gz ZVRDQYREMNMQLR-CQSZACIVSA-N 2 1 326.406 3.878 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000507214961 1023190992 /nfs/dbraw/zinc/19/09/92/1023190992.db2.gz RMTAPXDRIZMTPB-UHFFFAOYSA-N 2 1 327.563 3.560 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427110279 1023223587 /nfs/dbraw/zinc/22/35/87/1023223587.db2.gz KTVWOOJVIYKDRM-LAUBAEHRSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427110279 1023223593 /nfs/dbraw/zinc/22/35/93/1023223593.db2.gz KTVWOOJVIYKDRM-LAUBAEHRSA-N 2 1 340.442 3.589 20 0 EHADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000414976990 1023229734 /nfs/dbraw/zinc/22/97/34/1023229734.db2.gz JCLNDMYDFLFEFD-SFHVURJKSA-N 2 1 334.467 3.675 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684574763 1023465374 /nfs/dbraw/zinc/46/53/74/1023465374.db2.gz BPMKZLDLMFTBAG-KRWDZBQOSA-N 2 1 333.435 3.651 20 0 EHADMP CCCOc1cc(CN2CC[C@H](C[N@@H+](C)CCC)C2)ccc1OC ZINC000093742338 1023502465 /nfs/dbraw/zinc/50/24/65/1023502465.db2.gz VRXYGWGHVYEOQD-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(C)c1OC ZINC000342054032 1023807159 /nfs/dbraw/zinc/80/71/59/1023807159.db2.gz BGPSXSFRGUHHCS-UHFFFAOYSA-N 2 1 342.483 3.624 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C2 ZINC000474064664 1023980500 /nfs/dbraw/zinc/98/05/00/1023980500.db2.gz JRMAGGLUBMZXRG-YPAWHYETSA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C2 ZINC000474064664 1023980513 /nfs/dbraw/zinc/98/05/13/1023980513.db2.gz JRMAGGLUBMZXRG-YPAWHYETSA-N 2 1 342.527 3.620 20 0 EHADMP CC(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000610992473 1023987729 /nfs/dbraw/zinc/98/77/29/1023987729.db2.gz IJNSUTUERLXVJH-UHFFFAOYSA-N 2 1 346.515 3.804 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342102226 1023993461 /nfs/dbraw/zinc/99/34/61/1023993461.db2.gz LUULRKYWRNRYGT-DKKFBQAASA-N 2 1 343.515 3.505 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342102226 1023993475 /nfs/dbraw/zinc/99/34/75/1023993475.db2.gz LUULRKYWRNRYGT-DKKFBQAASA-N 2 1 343.515 3.505 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2cc(Br)ccc21 ZINC000443509112 1024070394 /nfs/dbraw/zinc/07/03/94/1024070394.db2.gz JVYZIACAAXVBGO-NWDGAFQWSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443509112 1024070408 /nfs/dbraw/zinc/07/04/08/1024070408.db2.gz JVYZIACAAXVBGO-NWDGAFQWSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000443509112 1024070426 /nfs/dbraw/zinc/07/04/26/1024070426.db2.gz JVYZIACAAXVBGO-NWDGAFQWSA-N 2 1 334.261 3.526 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000514087960 1024121231 /nfs/dbraw/zinc/12/12/31/1024121231.db2.gz JLYXGUHZBQMHNY-NVXWUHKLSA-N 2 1 334.504 3.927 20 0 EHADMP CC(C)CSCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000443619115 1024252319 /nfs/dbraw/zinc/25/23/19/1024252319.db2.gz BFJIWMMIZMGYKE-HDICACEKSA-N 2 1 342.593 3.587 20 0 EHADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)ccc1F ZINC000211954135 1024305895 /nfs/dbraw/zinc/30/58/95/1024305895.db2.gz CFYKOIIFGLTMMW-GVXVVHGQSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Br)ccc1F ZINC000211954135 1024305910 /nfs/dbraw/zinc/30/59/10/1024305910.db2.gz CFYKOIIFGLTMMW-GVXVVHGQSA-N 2 1 329.257 3.722 20 0 EHADMP COc1cc(CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168005963 1024386924 /nfs/dbraw/zinc/38/69/24/1024386924.db2.gz LTZHYRNMDLHSAB-XEMDLRDOSA-N 2 1 339.483 3.621 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168005963 1024386953 /nfs/dbraw/zinc/38/69/53/1024386953.db2.gz LTZHYRNMDLHSAB-XEMDLRDOSA-N 2 1 339.483 3.621 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000346152284 1024453328 /nfs/dbraw/zinc/45/33/28/1024453328.db2.gz ZVUUZNIPXIANNO-KRWDZBQOSA-N 2 1 336.414 3.704 20 0 EHADMP COCCCC1(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000895113449 1024522651 /nfs/dbraw/zinc/52/26/51/1024522651.db2.gz AHAMPIOMWLEUFO-UXHICEINSA-N 2 1 330.516 3.518 20 0 EHADMP OCC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882353 1033222986 /nfs/dbraw/zinc/22/29/86/1033222986.db2.gz JNNOZPUNGRUFEU-NHCUHLMSSA-N 2 1 342.527 3.714 20 0 EHADMP OCC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882353 1033222989 /nfs/dbraw/zinc/22/29/89/1033222989.db2.gz JNNOZPUNGRUFEU-NHCUHLMSSA-N 2 1 342.527 3.714 20 0 EHADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)[nH]c2c1 ZINC000657293472 1024665380 /nfs/dbraw/zinc/66/53/80/1024665380.db2.gz NQNJSBRODGRUBV-UHFFFAOYSA-N 2 1 349.478 3.598 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430129060 1024673654 /nfs/dbraw/zinc/67/36/54/1024673654.db2.gz YMNITDCYTMYQKM-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430129060 1024673656 /nfs/dbraw/zinc/67/36/56/1024673656.db2.gz YMNITDCYTMYQKM-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430129060 1024673658 /nfs/dbraw/zinc/67/36/58/1024673658.db2.gz YMNITDCYTMYQKM-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C1CCCCC1 ZINC000657298285 1024728950 /nfs/dbraw/zinc/72/89/50/1024728950.db2.gz OHZKOEHGJVPSRE-NRFANRHFSA-N 2 1 346.515 3.599 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C1CCCCC1 ZINC000657298285 1024728960 /nfs/dbraw/zinc/72/89/60/1024728960.db2.gz OHZKOEHGJVPSRE-NRFANRHFSA-N 2 1 346.515 3.599 20 0 EHADMP CCOC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000514803370 1024756877 /nfs/dbraw/zinc/75/68/77/1024756877.db2.gz YZXMRPBXBWDSQW-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)n1cncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000425338445 1024786118 /nfs/dbraw/zinc/78/61/18/1024786118.db2.gz PPXPYFFOPPNNDG-GOSISDBHSA-N 2 1 332.536 3.941 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000435380193 1024860229 /nfs/dbraw/zinc/86/02/29/1024860229.db2.gz PXCUSJMRMUFSDH-HOCLYGCPSA-N 2 1 346.496 3.505 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C[C@@H]12 ZINC000435386761 1024868349 /nfs/dbraw/zinc/86/83/49/1024868349.db2.gz YFLGXTCBXIDIRC-BPLDGKMQSA-N 2 1 339.464 3.725 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034815 1024941060 /nfs/dbraw/zinc/94/10/60/1024941060.db2.gz ORMQZROMEUEYIS-PBEJRMEISA-N 2 1 349.478 3.684 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034815 1024941065 /nfs/dbraw/zinc/94/10/65/1024941065.db2.gz ORMQZROMEUEYIS-PBEJRMEISA-N 2 1 349.478 3.684 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000511051162 1024967828 /nfs/dbraw/zinc/96/78/28/1024967828.db2.gz UTURBTFEQZUMQB-JRGCBEDISA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000511051162 1024967836 /nfs/dbraw/zinc/96/78/36/1024967836.db2.gz UTURBTFEQZUMQB-JRGCBEDISA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000157662600 1025006914 /nfs/dbraw/zinc/00/69/14/1025006914.db2.gz NBPQSVSYAXHWBD-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942071 1025016340 /nfs/dbraw/zinc/01/63/40/1025016340.db2.gz XDZRXUSFQCGXRR-YSIASYRMSA-N 2 1 348.531 3.873 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000474480717 1025035834 /nfs/dbraw/zinc/03/58/34/1025035834.db2.gz SHKDNVOLKPNUDL-LMMKCTJWSA-N 2 1 348.531 3.906 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1c(C)cccc1C)C[C@H]1CC[NH2+]C1 ZINC000435737172 1025114066 /nfs/dbraw/zinc/11/40/66/1025114066.db2.gz FLJPNASXLCFYMQ-KRWDZBQOSA-N 2 1 329.513 3.680 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1c(C)cccc1C)C[C@H]1CC[NH2+]C1 ZINC000435737172 1025114076 /nfs/dbraw/zinc/11/40/76/1025114076.db2.gz FLJPNASXLCFYMQ-KRWDZBQOSA-N 2 1 329.513 3.680 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000897964323 1033260619 /nfs/dbraw/zinc/26/06/19/1033260619.db2.gz CDKJPYFKUBKAAE-MNAPGUCWSA-N 2 1 335.495 3.655 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@@H]21 ZINC000346827261 1025212537 /nfs/dbraw/zinc/21/25/37/1025212537.db2.gz HYHIMFCPPOTETD-SGMGOOAPSA-N 2 1 330.806 3.501 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4c3NCC4)C2)CC1 ZINC000346850168 1025219590 /nfs/dbraw/zinc/21/95/90/1025219590.db2.gz PMAVHWBVKYEXPL-SFHVURJKSA-N 2 1 327.516 3.599 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4c3NCC4)C2)CC1 ZINC000346850168 1025219600 /nfs/dbraw/zinc/21/96/00/1025219600.db2.gz PMAVHWBVKYEXPL-SFHVURJKSA-N 2 1 327.516 3.599 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001168284884 1033270350 /nfs/dbraw/zinc/27/03/50/1033270350.db2.gz WZSWNIKSHXEPGB-UFYCRDLUSA-N 2 1 328.500 3.501 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)C2 ZINC001168284884 1033270360 /nfs/dbraw/zinc/27/03/60/1033270360.db2.gz WZSWNIKSHXEPGB-UFYCRDLUSA-N 2 1 328.500 3.501 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)C2 ZINC001168284884 1033270371 /nfs/dbraw/zinc/27/03/71/1033270371.db2.gz WZSWNIKSHXEPGB-UFYCRDLUSA-N 2 1 328.500 3.501 20 0 EHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000192623574 1025283997 /nfs/dbraw/zinc/28/39/97/1025283997.db2.gz VRSKUDALRMFIBQ-NHCUHLMSSA-N 2 1 335.580 3.861 20 0 EHADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000607735422 1033273723 /nfs/dbraw/zinc/27/37/23/1033273723.db2.gz RIEAXEFKFVZUHT-CQSZACIVSA-N 2 1 343.298 3.790 20 0 EHADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000607735422 1033273733 /nfs/dbraw/zinc/27/37/33/1033273733.db2.gz RIEAXEFKFVZUHT-CQSZACIVSA-N 2 1 343.298 3.790 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C)c1 ZINC000436047213 1025329161 /nfs/dbraw/zinc/32/91/61/1025329161.db2.gz ILENKOOZPYDXDP-DLBZAZTESA-N 2 1 329.513 3.933 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C)c1 ZINC000436047213 1025329174 /nfs/dbraw/zinc/32/91/74/1025329174.db2.gz ILENKOOZPYDXDP-DLBZAZTESA-N 2 1 329.513 3.933 20 0 EHADMP C[C@@H]1CC([N@@H+]2CC[C@](C)(O)[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040460 1025332248 /nfs/dbraw/zinc/33/22/48/1025332248.db2.gz MZKVMLBZGLUZNF-OOSNJVJTSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@](C)(O)[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040460 1025332262 /nfs/dbraw/zinc/33/22/62/1025332262.db2.gz MZKVMLBZGLUZNF-OOSNJVJTSA-N 2 1 330.516 3.521 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925132717 1025353054 /nfs/dbraw/zinc/35/30/54/1025353054.db2.gz BHSBRZXQJNDWQI-DFEOGRTESA-N 2 1 336.545 3.782 20 0 EHADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925132717 1025353070 /nfs/dbraw/zinc/35/30/70/1025353070.db2.gz BHSBRZXQJNDWQI-DFEOGRTESA-N 2 1 336.545 3.782 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000657362688 1025512425 /nfs/dbraw/zinc/51/24/25/1025512425.db2.gz GBECHRTYVQFTAY-YLJYHZDGSA-N 2 1 343.515 3.703 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(cccc3C)[nH]2)[C@@H](C)C1 ZINC000657364085 1025519325 /nfs/dbraw/zinc/51/93/25/1025519325.db2.gz SHEAPBXYVAKACZ-PXNSSMCTSA-N 2 1 343.515 3.703 20 0 EHADMP C[N@H+]1CCN(CC[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1(C)C ZINC000442871099 1025543323 /nfs/dbraw/zinc/54/33/23/1025543323.db2.gz HAYXQQQLJZGABU-UHFFFAOYSA-N 2 1 343.559 3.503 20 0 EHADMP CCCCc1oc2ccccc2c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000582191920 1025556224 /nfs/dbraw/zinc/55/62/24/1025556224.db2.gz QYHMREQBUWOXRJ-UHFFFAOYSA-N 2 1 344.499 3.712 20 0 EHADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436313654 1025575686 /nfs/dbraw/zinc/57/56/86/1025575686.db2.gz XFOOQXDQCHLPJK-OYNPSCLESA-N 2 1 334.548 3.968 20 0 EHADMP CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443061388 1025678629 /nfs/dbraw/zinc/67/86/29/1025678629.db2.gz RMIDUFVITYPPGC-INIZCTEOSA-N 2 1 329.513 3.933 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000347229122 1025695917 /nfs/dbraw/zinc/69/59/17/1025695917.db2.gz KGZYORFFVFVJRL-FQEVSTJZSA-N 2 1 343.515 3.874 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000347229123 1025696882 /nfs/dbraw/zinc/69/68/82/1025696882.db2.gz KGZYORFFVFVJRL-HXUWFJFHSA-N 2 1 343.515 3.874 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCCO3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168043793 1025736805 /nfs/dbraw/zinc/73/68/05/1025736805.db2.gz CZYGNVCYMMJZKG-YHELAOLJSA-N 2 1 328.500 3.683 20 0 EHADMP Cc1ccc2cc(C[NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)[nH]c2c1 ZINC000657388223 1025780201 /nfs/dbraw/zinc/78/02/01/1025780201.db2.gz AHSHFENTRAYLSQ-UHFFFAOYSA-N 2 1 349.482 3.642 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000347278748 1025798044 /nfs/dbraw/zinc/79/80/44/1025798044.db2.gz QQQKJTYQGOFCKV-ZDUSSCGKSA-N 2 1 325.378 3.773 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000347278748 1025798062 /nfs/dbraw/zinc/79/80/62/1025798062.db2.gz QQQKJTYQGOFCKV-ZDUSSCGKSA-N 2 1 325.378 3.773 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000281965714 1025807306 /nfs/dbraw/zinc/80/73/06/1025807306.db2.gz NJXZYQBDWPBBFP-LJQANCHMSA-N 2 1 345.490 3.889 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OCC ZINC000522011193 1025873485 /nfs/dbraw/zinc/87/34/85/1025873485.db2.gz SQDHMOMFBHUCKX-OAHLLOKOSA-N 2 1 331.460 3.501 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000611587855 1025933029 /nfs/dbraw/zinc/93/30/29/1025933029.db2.gz WZDZZPYKDVWNJS-MFKWGIFDSA-N 2 1 330.541 3.771 20 0 EHADMP C[C@H]1CC([N@H+]2CCC3(C2)CCOCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054737 1026085642 /nfs/dbraw/zinc/08/56/42/1026085642.db2.gz TXENLUDLDLRHHN-OALUTQOASA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058006 1026316951 /nfs/dbraw/zinc/31/69/51/1026316951.db2.gz AGNJEUHEPFIEPL-FXLUFJCXSA-N 2 1 340.511 3.537 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058006 1026316965 /nfs/dbraw/zinc/31/69/65/1026316965.db2.gz AGNJEUHEPFIEPL-FXLUFJCXSA-N 2 1 340.511 3.537 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058006 1026316978 /nfs/dbraw/zinc/31/69/78/1026316978.db2.gz AGNJEUHEPFIEPL-FXLUFJCXSA-N 2 1 340.511 3.537 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000277630710 1026361590 /nfs/dbraw/zinc/36/15/90/1026361590.db2.gz XTRHPPLAWQJENL-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000277630710 1026361599 /nfs/dbraw/zinc/36/15/99/1026361599.db2.gz XTRHPPLAWQJENL-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP CCc1[nH+]c2ccccc2c(N2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000684888408 1026379932 /nfs/dbraw/zinc/37/99/32/1026379932.db2.gz BACPQDVJEIPVKK-UHFFFAOYSA-N 2 1 346.478 3.823 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(Br)c2)C[C@@H]1C ZINC000530901526 1026387038 /nfs/dbraw/zinc/38/70/38/1026387038.db2.gz KKTLUUMXYQTPFZ-BBRMVZONSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2)C[C@@H]1C ZINC000530901526 1026387051 /nfs/dbraw/zinc/38/70/51/1026387051.db2.gz KKTLUUMXYQTPFZ-BBRMVZONSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2)C[C@@H]1C ZINC000530901526 1026387065 /nfs/dbraw/zinc/38/70/65/1026387065.db2.gz KKTLUUMXYQTPFZ-BBRMVZONSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000530901465 1026387695 /nfs/dbraw/zinc/38/76/95/1026387695.db2.gz BJJLYKPIMYCGOM-UKRRQHHQSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000530901465 1026387706 /nfs/dbraw/zinc/38/77/06/1026387706.db2.gz BJJLYKPIMYCGOM-UKRRQHHQSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000530901465 1026387722 /nfs/dbraw/zinc/38/77/22/1026387722.db2.gz BJJLYKPIMYCGOM-UKRRQHHQSA-N 2 1 330.394 3.890 20 0 EHADMP FC(F)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000475208942 1026388618 /nfs/dbraw/zinc/38/86/18/1026388618.db2.gz BMQGRYSUIWPKTA-RCCFBDPRSA-N 2 1 334.454 3.922 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121284688 1026400392 /nfs/dbraw/zinc/40/03/92/1026400392.db2.gz ZCNLPPAOPMIBOY-ACRUOGEOSA-N 2 1 340.511 3.507 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCOC3)C[C@H](C)N1Cc1ccccc1 ZINC001168062219 1026514426 /nfs/dbraw/zinc/51/44/26/1026514426.db2.gz JOZUOWRLVWUCAE-YHELAOLJSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]23CCOC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062219 1026514433 /nfs/dbraw/zinc/51/44/33/1026514433.db2.gz JOZUOWRLVWUCAE-YHELAOLJSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]23CCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062219 1026514439 /nfs/dbraw/zinc/51/44/39/1026514439.db2.gz JOZUOWRLVWUCAE-YHELAOLJSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062219 1026514446 /nfs/dbraw/zinc/51/44/46/1026514446.db2.gz JOZUOWRLVWUCAE-YHELAOLJSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062219 1026514452 /nfs/dbraw/zinc/51/44/52/1026514452.db2.gz JOZUOWRLVWUCAE-YHELAOLJSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@H]2C(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064205 1026587618 /nfs/dbraw/zinc/58/76/18/1026587618.db2.gz OXMJYENLRRINCQ-HLIPFELVSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@H]2C(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064205 1026587622 /nfs/dbraw/zinc/58/76/22/1026587622.db2.gz OXMJYENLRRINCQ-HLIPFELVSA-N 2 1 330.516 3.663 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000192917405 1026640754 /nfs/dbraw/zinc/64/07/54/1026640754.db2.gz OTWCPNMKPMTDOJ-GOSISDBHSA-N 2 1 344.886 3.960 20 0 EHADMP COCCC[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301304830 1026756285 /nfs/dbraw/zinc/75/62/85/1026756285.db2.gz XJVCKQQPDJXZSQ-UHFFFAOYSA-N 2 1 333.863 3.801 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000301521476 1026837389 /nfs/dbraw/zinc/83/73/89/1026837389.db2.gz GZFZJTRDEFOEGS-AWEZNQCLSA-N 2 1 349.425 3.923 20 0 EHADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000684956141 1026848522 /nfs/dbraw/zinc/84/85/22/1026848522.db2.gz ZPPVBQFXYWVBGK-FPOVZHCZSA-N 2 1 335.495 3.613 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000684956141 1026848530 /nfs/dbraw/zinc/84/85/30/1026848530.db2.gz ZPPVBQFXYWVBGK-FPOVZHCZSA-N 2 1 335.495 3.613 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657527685 1026987981 /nfs/dbraw/zinc/98/79/81/1026987981.db2.gz XKVCJMBCXATYKL-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527685 1026987989 /nfs/dbraw/zinc/98/79/89/1026987989.db2.gz XKVCJMBCXATYKL-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527685 1026987996 /nfs/dbraw/zinc/98/79/96/1026987996.db2.gz XKVCJMBCXATYKL-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000897471121 1027223380 /nfs/dbraw/zinc/22/33/80/1027223380.db2.gz KVJHOFLDDBJPCE-IOASZLSFSA-N 2 1 325.294 3.625 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000126733191 1027234889 /nfs/dbraw/zinc/23/48/89/1027234889.db2.gz TVEQZQVKVFWYPF-HSZRJFAPSA-N 2 1 349.522 3.601 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000127199104 1027282861 /nfs/dbraw/zinc/28/28/61/1027282861.db2.gz ZYKKFKRXTIDZQP-QGZVFWFLSA-N 2 1 326.469 3.807 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453072434 1027288049 /nfs/dbraw/zinc/28/80/49/1027288049.db2.gz YAIRACACVPHROH-BDTNDASRSA-N 2 1 335.495 3.923 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453072441 1027288204 /nfs/dbraw/zinc/28/82/04/1027288204.db2.gz YAIRACACVPHROH-VSKRKVRLSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000453056106 1027301466 /nfs/dbraw/zinc/30/14/66/1027301466.db2.gz FSYAXIYUPPDOBH-ZWKOTPCHSA-N 2 1 338.499 3.572 20 0 EHADMP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657563336 1027302412 /nfs/dbraw/zinc/30/24/12/1027302412.db2.gz MHTHYYSJOANYBZ-GOSISDBHSA-N 2 1 349.950 3.767 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657563336 1027302429 /nfs/dbraw/zinc/30/24/29/1027302429.db2.gz MHTHYYSJOANYBZ-GOSISDBHSA-N 2 1 349.950 3.767 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH+]3CCCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453092459 1027354393 /nfs/dbraw/zinc/35/43/93/1027354393.db2.gz QOQKIGVGPUVFJS-BHIFYINESA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453092459 1027354403 /nfs/dbraw/zinc/35/44/03/1027354403.db2.gz QOQKIGVGPUVFJS-BHIFYINESA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453092459 1027354417 /nfs/dbraw/zinc/35/44/17/1027354417.db2.gz QOQKIGVGPUVFJS-BHIFYINESA-N 3 1 341.543 3.505 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453100998 1027365245 /nfs/dbraw/zinc/36/52/45/1027365245.db2.gz XRPSQUKNKRVKLE-QGZVFWFLSA-N 2 1 337.305 3.900 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453104237 1027369789 /nfs/dbraw/zinc/36/97/89/1027369789.db2.gz FFOUEUCMNNOTSP-JKSUJKDBSA-N 2 1 337.471 3.579 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CCCc3cccnc3)CC2)[nH+]1 ZINC000453118668 1027393647 /nfs/dbraw/zinc/39/36/47/1027393647.db2.gz JUDWVDXUTIVYRY-KRWDZBQOSA-N 2 1 338.499 3.755 20 0 EHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(-c2ccccc2)nn1C ZINC000453124178 1027403175 /nfs/dbraw/zinc/40/31/75/1027403175.db2.gz GARUGMJDPHNRFK-RYQLBKOJSA-N 2 1 326.488 3.611 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000453151293 1027423062 /nfs/dbraw/zinc/42/30/62/1027423062.db2.gz SZDIPSLKQBDRNM-VOFPXKNKSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCCCC1 ZINC000544385573 1027449431 /nfs/dbraw/zinc/44/94/31/1027449431.db2.gz HOMWBAWOAQFUBT-LAUBAEHRSA-N 2 1 330.516 3.702 20 0 EHADMP COc1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420299419 1027450720 /nfs/dbraw/zinc/45/07/20/1027450720.db2.gz GLMRGPFQRFXLRD-MRXNPFEDSA-N 2 1 330.497 3.759 20 0 EHADMP Clc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304909 1027452064 /nfs/dbraw/zinc/45/20/64/1027452064.db2.gz OXQNKVZLHMBTBC-DYVFJYSZSA-N 2 1 343.298 3.756 20 0 EHADMP Clc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304909 1027452075 /nfs/dbraw/zinc/45/20/75/1027452075.db2.gz OXQNKVZLHMBTBC-DYVFJYSZSA-N 2 1 343.298 3.756 20 0 EHADMP Clc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304913 1027454114 /nfs/dbraw/zinc/45/41/14/1027454114.db2.gz OXQNKVZLHMBTBC-SUMWQHHRSA-N 2 1 343.298 3.756 20 0 EHADMP Clc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304913 1027454127 /nfs/dbraw/zinc/45/41/27/1027454127.db2.gz OXQNKVZLHMBTBC-SUMWQHHRSA-N 2 1 343.298 3.756 20 0 EHADMP FC1(F)CCC[C@H](C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)C1 ZINC000420309031 1027457426 /nfs/dbraw/zinc/45/74/26/1027457426.db2.gz LCNBIOYJVQEPKL-WMZOPIPTSA-N 2 1 337.458 3.851 20 0 EHADMP Cn1ccnc1[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000353019632 1027461796 /nfs/dbraw/zinc/46/17/96/1027461796.db2.gz OXPPFRACIPEXLM-HXUWFJFHSA-N 2 1 338.499 3.647 20 0 EHADMP Cc1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000420316120 1027463881 /nfs/dbraw/zinc/46/38/81/1027463881.db2.gz MLMVERUAPPBVDK-OAHLLOKOSA-N 2 1 344.421 3.676 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327205 1027477880 /nfs/dbraw/zinc/47/78/80/1027477880.db2.gz KZFQPXKGGRLMSS-KBMXLJTQSA-N 2 1 337.305 3.832 20 0 EHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)s1 ZINC000420326037 1027479435 /nfs/dbraw/zinc/47/94/35/1027479435.db2.gz WYLCHOMVYBJUSO-HOCLYGCPSA-N 2 1 347.528 3.758 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327203 1027479686 /nfs/dbraw/zinc/47/96/86/1027479686.db2.gz KZFQPXKGGRLMSS-BMFZPTHFSA-N 2 1 337.305 3.832 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332656 1027482113 /nfs/dbraw/zinc/48/21/13/1027482113.db2.gz SCMOLQBHZRNBAP-KBMXLJTQSA-N 2 1 337.305 3.832 20 0 EHADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453173008 1027493080 /nfs/dbraw/zinc/49/30/80/1027493080.db2.gz YFNGLBIQLZAMOI-NJYVYQBISA-N 2 1 342.527 3.572 20 0 EHADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420377491 1027498179 /nfs/dbraw/zinc/49/81/79/1027498179.db2.gz SATMRVFPUDZNFH-ROUUACIJSA-N 2 1 331.504 3.505 20 0 EHADMP C[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000475563046 1027623380 /nfs/dbraw/zinc/62/33/80/1027623380.db2.gz PKDLJPWVNWSFNF-DWOCFRCJSA-N 2 1 341.543 3.504 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261795131 1027674220 /nfs/dbraw/zinc/67/42/20/1027674220.db2.gz ZHRYEBWHQRBBQP-NJDAHSKKSA-N 2 1 329.532 3.539 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000130646366 1027690192 /nfs/dbraw/zinc/69/01/92/1027690192.db2.gz MPLSGFUZHLHKGS-DYVFJYSZSA-N 2 1 332.879 3.645 20 0 EHADMP C[NH+](CCOc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358463 1027705509 /nfs/dbraw/zinc/70/55/09/1027705509.db2.gz HVWGCCRANRBOKB-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000607358463 1027705478 /nfs/dbraw/zinc/70/54/78/1027705478.db2.gz HVWGCCRANRBOKB-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[N@@H+](CCOc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000607358463 1027705494 /nfs/dbraw/zinc/70/54/94/1027705494.db2.gz HVWGCCRANRBOKB-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358463 1027705525 /nfs/dbraw/zinc/70/55/25/1027705525.db2.gz HVWGCCRANRBOKB-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cc(C)c1OCc1ccccn1 ZINC000414660494 1027739077 /nfs/dbraw/zinc/73/90/77/1027739077.db2.gz NBSSNNHRWUEXCA-UHFFFAOYSA-N 2 1 341.499 3.694 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414667340 1027778168 /nfs/dbraw/zinc/77/81/68/1027778168.db2.gz YIXYMMIEZTYJDX-BSPJPZBESA-N 2 1 336.479 3.948 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070138 1027899580 /nfs/dbraw/zinc/89/95/80/1027899580.db2.gz WWBOCRMINATABS-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070138 1027899604 /nfs/dbraw/zinc/89/96/04/1027899604.db2.gz WWBOCRMINATABS-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070138 1027899625 /nfs/dbraw/zinc/89/96/25/1027899625.db2.gz WWBOCRMINATABS-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070138 1027899645 /nfs/dbraw/zinc/89/96/45/1027899645.db2.gz WWBOCRMINATABS-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070138 1027899663 /nfs/dbraw/zinc/89/96/63/1027899663.db2.gz WWBOCRMINATABS-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070138 1027899686 /nfs/dbraw/zinc/89/96/86/1027899686.db2.gz WWBOCRMINATABS-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070138 1027899707 /nfs/dbraw/zinc/89/97/07/1027899707.db2.gz WWBOCRMINATABS-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP Cc1cnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000428366542 1027929276 /nfs/dbraw/zinc/92/92/76/1027929276.db2.gz YKHYDPSVLPJRRW-QZTJIDSGSA-N 2 1 330.520 3.823 20 0 EHADMP c1ccc(C[NH+]2CCCCC2)c(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422792206 1027962713 /nfs/dbraw/zinc/96/27/13/1027962713.db2.gz QYDCBZFYCMKTSI-YPAWHYETSA-N 2 1 341.543 3.683 20 0 EHADMP C[C@@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)c1c[nH+]ccc1N ZINC000422823808 1027968197 /nfs/dbraw/zinc/96/81/97/1027968197.db2.gz FEUPHCBRSASJFG-DIFFPNOSSA-N 2 1 333.382 3.824 20 0 EHADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132903530 1027976567 /nfs/dbraw/zinc/97/65/67/1027976567.db2.gz ITPWBNKNKZYBDY-IAGOWNOFSA-N 2 1 348.556 3.950 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C2(CCC2)C1 ZINC000420998004 1027979140 /nfs/dbraw/zinc/97/91/40/1027979140.db2.gz HOPZYNLDDFLJTM-FQEVSTJZSA-N 2 1 328.500 3.552 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422914647 1028049924 /nfs/dbraw/zinc/04/99/24/1028049924.db2.gz VHXDHOCKNIPJKX-YPAWHYETSA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422914647 1028049938 /nfs/dbraw/zinc/04/99/38/1028049938.db2.gz VHXDHOCKNIPJKX-YPAWHYETSA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422914647 1028049956 /nfs/dbraw/zinc/04/99/56/1028049956.db2.gz VHXDHOCKNIPJKX-YPAWHYETSA-N 2 1 343.559 3.927 20 0 EHADMP Cc1sc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)nc1-c1ccccc1 ZINC000422931384 1028060161 /nfs/dbraw/zinc/06/01/61/1028060161.db2.gz XOKJUCKQJFVTQI-ZDUSSCGKSA-N 2 1 338.480 3.819 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]1NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963995 1028075533 /nfs/dbraw/zinc/07/55/33/1028075533.db2.gz KDMKEAAINSRZEL-PKTZIBPZSA-N 2 1 349.522 3.919 20 0 EHADMP N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422963995 1028075551 /nfs/dbraw/zinc/07/55/51/1028075551.db2.gz KDMKEAAINSRZEL-PKTZIBPZSA-N 2 1 349.522 3.919 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC000502289375 1028088877 /nfs/dbraw/zinc/08/88/77/1028088877.db2.gz WTAMAQIQTPSUFD-QGZVFWFLSA-N 2 1 348.531 3.797 20 0 EHADMP CC[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423001309 1028116043 /nfs/dbraw/zinc/11/60/43/1028116043.db2.gz DOQNNYHMRHQBBT-SFTDATJTSA-N 2 1 341.499 3.532 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423004845 1028118533 /nfs/dbraw/zinc/11/85/33/1028118533.db2.gz LBNSVVPHYCJIFH-UHFFFAOYSA-N 3 1 341.499 3.519 20 0 EHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423004845 1028118547 /nfs/dbraw/zinc/11/85/47/1028118547.db2.gz LBNSVVPHYCJIFH-UHFFFAOYSA-N 2 1 341.499 3.519 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1F ZINC000423015624 1028128423 /nfs/dbraw/zinc/12/84/23/1028128423.db2.gz AHNHSFHONXLWQC-WSXQUGQNSA-N 2 1 344.405 3.871 20 0 EHADMP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000502366551 1028147554 /nfs/dbraw/zinc/14/75/54/1028147554.db2.gz AWWKYRBQPANSDS-NJDAHSKKSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000423046001 1028151895 /nfs/dbraw/zinc/15/18/95/1028151895.db2.gz DSLLLLWNSJBDIO-DZKIICNBSA-N 2 1 329.513 3.631 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000135200458 1028176056 /nfs/dbraw/zinc/17/60/56/1028176056.db2.gz RTBRINPXVILTDQ-ZWNOBZJWSA-N 2 1 331.685 3.675 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423102340 1028182290 /nfs/dbraw/zinc/18/22/90/1028182290.db2.gz JXPFJIXCKTZWIW-NSISKUIASA-N 2 1 345.506 3.826 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000423185718 1028230364 /nfs/dbraw/zinc/23/03/64/1028230364.db2.gz VXFXLSRZGHFRIT-PWRODBHTSA-N 2 1 341.543 3.681 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000582913821 1028242302 /nfs/dbraw/zinc/24/23/02/1028242302.db2.gz UYDBKGPAUAXDLS-UHFFFAOYSA-N 2 1 342.418 3.513 20 0 EHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423174644 1028242749 /nfs/dbraw/zinc/24/27/49/1028242749.db2.gz BNXDPGVSXLPLAH-HXUWFJFHSA-N 2 1 339.483 3.625 20 0 EHADMP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423207024 1028252663 /nfs/dbraw/zinc/25/26/63/1028252663.db2.gz XOXDHMRVLMSTPX-KRWDZBQOSA-N 2 1 333.273 3.738 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@@H](c2ccccc2)C1 ZINC000423189408 1028259399 /nfs/dbraw/zinc/25/93/99/1028259399.db2.gz QYMWZWFPXFANBM-KITZHRQZSA-N 2 1 342.527 3.706 20 0 EHADMP Cc1cc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)ccc1F ZINC000423194966 1028264326 /nfs/dbraw/zinc/26/43/26/1028264326.db2.gz ZSZDHQKKTXXWKX-HXUWFJFHSA-N 2 1 327.447 3.750 20 0 EHADMP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000423199821 1028270967 /nfs/dbraw/zinc/27/09/67/1028270967.db2.gz KSPBWAYJTWFJLT-KRWDZBQOSA-N 2 1 333.273 3.738 20 0 EHADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414725025 1028296030 /nfs/dbraw/zinc/29/60/30/1028296030.db2.gz UOEATQOFEWUVRF-BRWVUGGUSA-N 2 1 333.545 3.914 20 0 EHADMP C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284843 1028322638 /nfs/dbraw/zinc/32/26/38/1028322638.db2.gz XFNKMDRSJYECGS-XOBRGWDASA-N 2 1 328.431 3.793 20 0 EHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423284843 1028322651 /nfs/dbraw/zinc/32/26/51/1028322651.db2.gz XFNKMDRSJYECGS-XOBRGWDASA-N 2 1 328.431 3.793 20 0 EHADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423290853 1028329112 /nfs/dbraw/zinc/32/91/12/1028329112.db2.gz FRPANFICOXEIEI-ZCNNSNEGSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294554 1028352605 /nfs/dbraw/zinc/35/26/05/1028352605.db2.gz UVBGXPLAQBOZPX-SPEDKVCISA-N 3 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294554 1028352622 /nfs/dbraw/zinc/35/26/22/1028352622.db2.gz UVBGXPLAQBOZPX-SPEDKVCISA-N 2 1 337.511 3.707 20 0 EHADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000423302815 1028359476 /nfs/dbraw/zinc/35/94/76/1028359476.db2.gz VZLGNWXFEVVWIA-LPHOPBHVSA-N 2 1 343.515 3.778 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423339857 1028375668 /nfs/dbraw/zinc/37/56/68/1028375668.db2.gz ZUCAHHCNNZQGPP-PKPZWWHKSA-N 2 1 341.318 3.559 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000502591828 1028388016 /nfs/dbraw/zinc/38/80/16/1028388016.db2.gz CGPAIISGASXGGL-ULQDDVLXSA-N 2 1 332.479 3.539 20 0 EHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423438719 1028446580 /nfs/dbraw/zinc/44/65/80/1028446580.db2.gz HDTNHBMCQNYXNB-RUMNANIHSA-N 2 1 329.307 3.557 20 0 EHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423470953 1028458419 /nfs/dbraw/zinc/45/84/19/1028458419.db2.gz HCOJJHLONNJRGF-LKFCYVNXSA-N 2 1 335.225 3.815 20 0 EHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1 ZINC000423522588 1028495943 /nfs/dbraw/zinc/49/59/43/1028495943.db2.gz UZFFKSXVWJXATD-CTWPCTMYSA-N 2 1 335.923 3.597 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000126061509 1028506103 /nfs/dbraw/zinc/50/61/03/1028506103.db2.gz KXORQLLZJWYOFD-CQSZACIVSA-N 2 1 348.441 3.561 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423569332 1028520565 /nfs/dbraw/zinc/52/05/65/1028520565.db2.gz WJFICMSNMOUCMJ-NSHDSACASA-N 2 1 337.261 3.988 20 0 EHADMP c1c2ccccc2[nH]c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122217245 1028587231 /nfs/dbraw/zinc/58/72/31/1028587231.db2.gz PMLBYZIYSROGSP-UHFFFAOYSA-N 2 1 333.479 3.965 20 0 EHADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000414761089 1028606656 /nfs/dbraw/zinc/60/66/56/1028606656.db2.gz RZYSMTUDXDUFFI-KZNAEPCWSA-N 2 1 331.504 3.504 20 0 EHADMP FC(F)(F)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414766504 1028691852 /nfs/dbraw/zinc/69/18/52/1028691852.db2.gz HRTYJLCSGYJAMU-BETUJISGSA-N 2 1 332.797 3.790 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247040582 1028733983 /nfs/dbraw/zinc/73/39/83/1028733983.db2.gz LRVSFUBYSDAULI-WOYCLPQFSA-N 2 1 340.515 3.536 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246923989 1028746209 /nfs/dbraw/zinc/74/62/09/1028746209.db2.gz GWECDNRHRALLHM-IAGOWNOFSA-N 2 1 332.488 3.763 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247129463 1028748518 /nfs/dbraw/zinc/74/85/18/1028748518.db2.gz RPURJDCSWSLNAD-IAGOWNOFSA-N 2 1 340.515 3.811 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826341 1028815521 /nfs/dbraw/zinc/81/55/21/1028815521.db2.gz RXMWDNRSGOASCL-YWZLYKJASA-N 2 1 334.479 3.995 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826341 1028815541 /nfs/dbraw/zinc/81/55/41/1028815541.db2.gz RXMWDNRSGOASCL-YWZLYKJASA-N 2 1 334.479 3.995 20 0 EHADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000424125890 1028821597 /nfs/dbraw/zinc/82/15/97/1028821597.db2.gz AUZNIYVCSJDPSB-UHFFFAOYSA-N 2 1 326.488 3.740 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857575 1028849841 /nfs/dbraw/zinc/84/98/41/1028849841.db2.gz QBAPEPCULMQLLR-RDJZCZTQSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857575 1028849856 /nfs/dbraw/zinc/84/98/56/1028849856.db2.gz QBAPEPCULMQLLR-RDJZCZTQSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248389244 1028880489 /nfs/dbraw/zinc/88/04/89/1028880489.db2.gz ARAWLAUVPGDBEH-TYVMNDOJSA-N 2 1 348.556 3.728 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)c(F)c1)CC[NH2+]CC2 ZINC000424289035 1028931264 /nfs/dbraw/zinc/93/12/64/1028931264.db2.gz LHVYHUBRRARYNY-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424296219 1028938689 /nfs/dbraw/zinc/93/86/89/1028938689.db2.gz FNFINAGDMMCDAN-MCAKUDAQSA-N 2 1 342.527 3.690 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424296219 1028938704 /nfs/dbraw/zinc/93/87/04/1028938704.db2.gz FNFINAGDMMCDAN-MCAKUDAQSA-N 2 1 342.527 3.690 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)on2)cc1 ZINC000424298972 1028942947 /nfs/dbraw/zinc/94/29/47/1028942947.db2.gz VCVNUANZVUOLCD-INIZCTEOSA-N 2 1 325.456 3.614 20 0 EHADMP CS[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000445610765 1028987298 /nfs/dbraw/zinc/98/72/98/1028987298.db2.gz RXLWNBZHXPYXGF-ZWKOTPCHSA-N 2 1 347.915 3.904 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)CC[NH2+]1 ZINC000841008704 1028996555 /nfs/dbraw/zinc/99/65/55/1028996555.db2.gz AIOKAWVCKXSYTQ-BHIYHBOVSA-N 2 1 344.524 3.672 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414784930 1029038817 /nfs/dbraw/zinc/03/88/17/1029038817.db2.gz RVCIHCUQVATWQC-JKSUJKDBSA-N 2 1 344.890 3.552 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1c(Cl)cccc1N1CCCC1)CC[NH2+]CC2 ZINC000424388635 1029042641 /nfs/dbraw/zinc/04/26/41/1029042641.db2.gz ZLKFHPOYVYOJGK-MRXNPFEDSA-N 2 1 347.934 3.904 20 0 EHADMP CC[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936724 1029089917 /nfs/dbraw/zinc/08/99/17/1029089917.db2.gz KILFXNOPNAAYNC-BBRMVZONSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000245714121 1029113636 /nfs/dbraw/zinc/11/36/36/1029113636.db2.gz NTUZSJLMBIPCSE-OTNPHJDUSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000271712485 1029132569 /nfs/dbraw/zinc/13/25/69/1029132569.db2.gz MUEZDSIJBURUSQ-QFBILLFUSA-N 2 1 328.456 3.569 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271728135 1029142974 /nfs/dbraw/zinc/14/29/74/1029142974.db2.gz ORMQJQPMEFICMK-DNVCBOLYSA-N 2 1 341.455 3.517 20 0 EHADMP Fc1ccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000271754878 1029155774 /nfs/dbraw/zinc/15/57/74/1029155774.db2.gz SDFPPMYJXGLFOB-LJQANCHMSA-N 2 1 332.463 3.511 20 0 EHADMP Cc1ccc(OCc2nc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cs2)cc1 ZINC000414800017 1029178747 /nfs/dbraw/zinc/17/87/47/1029178747.db2.gz KLUUXZWEJZSKHM-YJBOKZPZSA-N 2 1 345.512 3.638 20 0 EHADMP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271936118 1029236740 /nfs/dbraw/zinc/23/67/40/1029236740.db2.gz AKOYDZAGEUIDGI-NHCUHLMSSA-N 2 1 330.516 3.834 20 0 EHADMP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245755405 1029248378 /nfs/dbraw/zinc/24/83/78/1029248378.db2.gz URGCRQHYNBNVLN-YUMYIRISSA-N 2 1 336.479 3.505 20 0 EHADMP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245755405 1029248394 /nfs/dbraw/zinc/24/83/94/1029248394.db2.gz URGCRQHYNBNVLN-YUMYIRISSA-N 2 1 336.479 3.505 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162722222 1029350614 /nfs/dbraw/zinc/35/06/14/1029350614.db2.gz VEDZGADXJJWCGB-SPYBWZPUSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162722222 1029350631 /nfs/dbraw/zinc/35/06/31/1029350631.db2.gz VEDZGADXJJWCGB-SPYBWZPUSA-N 2 1 343.446 3.831 20 0 EHADMP Clc1ccc2cccnc2c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000666805500 1029394904 /nfs/dbraw/zinc/39/49/04/1029394904.db2.gz DMLKXJKOWAOFFX-UHFFFAOYSA-N 2 1 340.858 3.553 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552018 1029449777 /nfs/dbraw/zinc/44/97/77/1029449777.db2.gz LDKAKTWCIGUDKV-LNRXMEIDSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552018 1029449783 /nfs/dbraw/zinc/44/97/83/1029449783.db2.gz LDKAKTWCIGUDKV-LNRXMEIDSA-N 2 1 341.543 3.551 20 0 EHADMP [NH3+]C[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000414832370 1029492646 /nfs/dbraw/zinc/49/26/46/1029492646.db2.gz DKJSMEUPBODPGD-FQEVSTJZSA-N 2 1 349.950 3.802 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261784037 1029506075 /nfs/dbraw/zinc/50/60/75/1029506075.db2.gz FRQQNIGSTFNGCB-PBHICJAKSA-N 2 1 330.422 3.766 20 0 EHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000261836033 1029515921 /nfs/dbraw/zinc/51/59/21/1029515921.db2.gz QHCLLDODOPTXRL-GOSISDBHSA-N 2 1 327.453 3.727 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000261836033 1029515928 /nfs/dbraw/zinc/51/59/28/1029515928.db2.gz QHCLLDODOPTXRL-GOSISDBHSA-N 2 1 327.453 3.727 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)o1 ZINC000125487030 1029529873 /nfs/dbraw/zinc/52/98/73/1029529873.db2.gz TZPBPEKBIDNJHC-KRWDZBQOSA-N 2 1 342.483 3.948 20 0 EHADMP CCCOc1ccc(C[N@@H+](CCC)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000262034386 1029553210 /nfs/dbraw/zinc/55/32/10/1029553210.db2.gz OJRIBQVSSPZORF-FQEVSTJZSA-N 2 1 334.504 3.696 20 0 EHADMP FC(F)(F)c1cccc([C@@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000262040402 1029554506 /nfs/dbraw/zinc/55/45/06/1029554506.db2.gz YFYZWHXOIIOTNE-INIZCTEOSA-N 2 1 344.446 3.795 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000126002212 1029647635 /nfs/dbraw/zinc/64/76/35/1029647635.db2.gz BRLIYENKMCYUMO-UHFFFAOYSA-N 2 1 343.515 3.779 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000343193984 1029695121 /nfs/dbraw/zinc/69/51/21/1029695121.db2.gz VWXNAZYASLKWKR-CYBMUJFWSA-N 2 1 341.377 3.559 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699801 1029745693 /nfs/dbraw/zinc/74/56/93/1029745693.db2.gz RNFWRBLUWMRHQX-DYXWJJEUSA-N 2 1 339.527 3.846 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000508709426 1029770578 /nfs/dbraw/zinc/77/05/78/1029770578.db2.gz LDFWBKKEQZGJOW-HJDVLLJCSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000508709426 1029770587 /nfs/dbraw/zinc/77/05/87/1029770587.db2.gz LDFWBKKEQZGJOW-HJDVLLJCSA-N 2 1 328.500 3.654 20 0 EHADMP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CCCC1 ZINC000446751652 1029781626 /nfs/dbraw/zinc/78/16/26/1029781626.db2.gz DKONULJEJFZGPV-SFHVURJKSA-N 2 1 331.435 3.615 20 0 EHADMP CC(C)[NH+](CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508711418 1029784162 /nfs/dbraw/zinc/78/41/62/1029784162.db2.gz ASXUADNAIMNNJM-TZIWHRDSSA-N 2 1 331.548 3.605 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823862 1029808411 /nfs/dbraw/zinc/80/84/11/1029808411.db2.gz QLKNDJSJGBVNBN-LPHOPBHVSA-N 2 1 336.545 3.755 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCC1 ZINC000446823862 1029808416 /nfs/dbraw/zinc/80/84/16/1029808416.db2.gz QLKNDJSJGBVNBN-LPHOPBHVSA-N 2 1 336.545 3.755 20 0 EHADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000080338674 1029815479 /nfs/dbraw/zinc/81/54/79/1029815479.db2.gz NQCGNVNOFSEDTP-APWZRJJASA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000080338674 1029815493 /nfs/dbraw/zinc/81/54/93/1029815493.db2.gz NQCGNVNOFSEDTP-APWZRJJASA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000080338674 1029815500 /nfs/dbraw/zinc/81/55/00/1029815500.db2.gz NQCGNVNOFSEDTP-APWZRJJASA-N 2 1 342.458 3.977 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721434 1029831307 /nfs/dbraw/zinc/83/13/07/1029831307.db2.gz URCZTLBTJHDUDV-JBACZVJFSA-N 2 1 332.532 3.674 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)o1 ZINC000278281404 1029937771 /nfs/dbraw/zinc/93/77/71/1029937771.db2.gz PYJRAZBXBSJWNB-SJORKVTESA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)o1 ZINC000278281404 1029937792 /nfs/dbraw/zinc/93/77/92/1029937792.db2.gz PYJRAZBXBSJWNB-SJORKVTESA-N 2 1 342.483 3.968 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)[C@H]3CCC[C@@H]32)cc1 ZINC000453236702 1029960269 /nfs/dbraw/zinc/96/02/69/1029960269.db2.gz YVWLEVZGAIYFRG-BTOHRNCKSA-N 2 1 340.511 3.587 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000650708076 1030007435 /nfs/dbraw/zinc/00/74/35/1030007435.db2.gz STJIAODREHJTCY-LBTNJELSSA-N 2 1 348.874 3.805 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453278949 1030020826 /nfs/dbraw/zinc/02/08/26/1030020826.db2.gz DILFQCHBTCXTND-WLRLJWMZSA-N 2 1 330.516 3.570 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000525709500 1030046967 /nfs/dbraw/zinc/04/69/67/1030046967.db2.gz IFRUGSXADVIFFV-AEFFLSMTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000525709500 1030046983 /nfs/dbraw/zinc/04/69/83/1030046983.db2.gz IFRUGSXADVIFFV-AEFFLSMTSA-N 2 1 334.504 3.837 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H]1CC[NH3+] ZINC000650711837 1030078202 /nfs/dbraw/zinc/07/82/02/1030078202.db2.gz FXOPCYATILDCKK-UWJYYQICSA-N 2 1 339.483 3.610 20 0 EHADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531932497 1030087766 /nfs/dbraw/zinc/08/77/66/1030087766.db2.gz PTEDCDZVBGDFSQ-RTBURBONSA-N 2 1 343.540 3.778 20 0 EHADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851460 1030145704 /nfs/dbraw/zinc/14/57/04/1030145704.db2.gz JABCAXKYAUAVMJ-HXUWFJFHSA-N 2 1 329.532 3.505 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567851460 1030145708 /nfs/dbraw/zinc/14/57/08/1030145708.db2.gz JABCAXKYAUAVMJ-HXUWFJFHSA-N 2 1 329.532 3.505 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000525865033 1030182480 /nfs/dbraw/zinc/18/24/80/1030182480.db2.gz JFXOLLKXUYNUSG-UHFFFAOYSA-N 2 1 332.517 3.690 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650723219 1030202175 /nfs/dbraw/zinc/20/21/75/1030202175.db2.gz JHZSVPWEGPMDRQ-PWRODBHTSA-N 2 1 330.516 3.746 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C ZINC000482135950 1030220669 /nfs/dbraw/zinc/22/06/69/1030220669.db2.gz PERBWPDOLBVVTE-CMKODMSKSA-N 2 1 345.531 3.812 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000482119144 1030222003 /nfs/dbraw/zinc/22/20/03/1030222003.db2.gz HZHZKMXSQVKKCD-VXGBXAGGSA-N 2 1 342.270 3.944 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1)C1CC1 ZINC000453412656 1030223749 /nfs/dbraw/zinc/22/37/49/1030223749.db2.gz WGCHZUPMRQOWPR-OXQOHEQNSA-N 2 1 334.479 3.757 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000531993933 1030242197 /nfs/dbraw/zinc/24/21/97/1030242197.db2.gz QAPNIHWCSMOYQP-QMMLZNLJSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000531993933 1030242208 /nfs/dbraw/zinc/24/22/08/1030242208.db2.gz QAPNIHWCSMOYQP-QMMLZNLJSA-N 2 1 330.516 3.692 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)C1CC1 ZINC000453397647 1030250885 /nfs/dbraw/zinc/25/08/85/1030250885.db2.gz JUXKCSQGHABFDN-FQEVSTJZSA-N 2 1 328.500 3.853 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447544376 1030278395 /nfs/dbraw/zinc/27/83/95/1030278395.db2.gz URFHYOKVODECRX-FCHUYYIVSA-N 2 1 343.559 3.878 20 0 EHADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588519 1030322981 /nfs/dbraw/zinc/32/29/81/1030322981.db2.gz VHWFCJZSOWRCHD-AGOPTVSRSA-N 2 1 335.495 3.798 20 0 EHADMP CCCc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482312013 1030330078 /nfs/dbraw/zinc/33/00/78/1030330078.db2.gz BIJUCMHHWLWXAI-SFHVURJKSA-N 2 1 331.548 3.563 20 0 EHADMP CC(C)c1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482349090 1030341217 /nfs/dbraw/zinc/34/12/17/1030341217.db2.gz HMROVLLWBOAZEM-SFHVURJKSA-N 2 1 331.548 3.734 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)[C@H](C)C1 ZINC000532196049 1030471658 /nfs/dbraw/zinc/47/16/58/1030471658.db2.gz MBIALSHEOMYBCW-UTKZUKDTSA-N 2 1 342.483 3.816 20 0 EHADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482541656 1030508672 /nfs/dbraw/zinc/50/86/72/1030508672.db2.gz VLWQIEFNSRYPSY-FQEVSTJZSA-N 2 1 348.506 3.627 20 0 EHADMP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000482646148 1030605426 /nfs/dbraw/zinc/60/54/26/1030605426.db2.gz ZJRBWVOJZGGVED-FXAWDEMLSA-N 2 1 332.532 3.929 20 0 EHADMP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000583761138 1030663537 /nfs/dbraw/zinc/66/35/37/1030663537.db2.gz ICXJMSJLXGJXME-VQIMIIECSA-N 2 1 327.472 3.835 20 0 EHADMP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000583761138 1030663543 /nfs/dbraw/zinc/66/35/43/1030663543.db2.gz ICXJMSJLXGJXME-VQIMIIECSA-N 2 1 327.472 3.835 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000093770376 1030672457 /nfs/dbraw/zinc/67/24/57/1030672457.db2.gz YWAUUQRBDPKPTB-LJQANCHMSA-N 2 1 348.494 3.799 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000093770376 1030672460 /nfs/dbraw/zinc/67/24/60/1030672460.db2.gz YWAUUQRBDPKPTB-LJQANCHMSA-N 2 1 348.494 3.799 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000093770376 1030672467 /nfs/dbraw/zinc/67/24/67/1030672467.db2.gz YWAUUQRBDPKPTB-LJQANCHMSA-N 2 1 348.494 3.799 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1Br ZINC000650751906 1030683974 /nfs/dbraw/zinc/68/39/74/1030683974.db2.gz DZNMLEKHNHQDCF-NSHDSACASA-N 2 1 337.236 3.898 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000170702186 1030698938 /nfs/dbraw/zinc/69/89/38/1030698938.db2.gz JYZVGZCZUKCFCC-LJQANCHMSA-N 2 1 337.467 3.858 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000550895717 1030777115 /nfs/dbraw/zinc/77/71/15/1030777115.db2.gz SLEDLWOKHBHXJP-BVYCBKJFSA-N 2 1 344.543 3.675 20 0 EHADMP CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945576 1030841266 /nfs/dbraw/zinc/84/12/66/1030841266.db2.gz HREYTWQPROPRNV-ICSRJNTNSA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945576 1030841289 /nfs/dbraw/zinc/84/12/89/1030841289.db2.gz HREYTWQPROPRNV-ICSRJNTNSA-N 2 1 347.547 3.542 20 0 EHADMP CCc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000393272552 1030886724 /nfs/dbraw/zinc/88/67/24/1030886724.db2.gz AMXVIXCONXOAGV-NHCUHLMSSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000393272552 1030886743 /nfs/dbraw/zinc/88/67/43/1030886743.db2.gz AMXVIXCONXOAGV-NHCUHLMSSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000393272552 1030886810 /nfs/dbraw/zinc/88/68/10/1030886810.db2.gz AMXVIXCONXOAGV-NHCUHLMSSA-N 2 1 335.495 3.598 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006243 1030903617 /nfs/dbraw/zinc/90/36/17/1030903617.db2.gz UBHSLZRZFPQXMZ-NRSPTQNISA-N 2 1 329.532 3.534 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000551006243 1030903627 /nfs/dbraw/zinc/90/36/27/1030903627.db2.gz UBHSLZRZFPQXMZ-NRSPTQNISA-N 3 1 329.532 3.534 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037379 1030920529 /nfs/dbraw/zinc/92/05/29/1030920529.db2.gz BDUZXIWLAWJRTP-QILLFSRXSA-N 2 1 332.488 3.544 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037379 1030920545 /nfs/dbraw/zinc/92/05/45/1030920545.db2.gz BDUZXIWLAWJRTP-QILLFSRXSA-N 2 1 332.488 3.544 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000551083504 1031025244 /nfs/dbraw/zinc/02/52/44/1031025244.db2.gz FDMZPKDWQKQDIW-XSDIEEQYSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000551083504 1031025259 /nfs/dbraw/zinc/02/52/59/1031025259.db2.gz FDMZPKDWQKQDIW-XSDIEEQYSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCSCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000551084090 1031028079 /nfs/dbraw/zinc/02/80/79/1031028079.db2.gz SBCYSJGDUNDFNP-CABCVRRESA-N 2 1 332.435 3.707 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCSCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000551084090 1031028097 /nfs/dbraw/zinc/02/80/97/1031028097.db2.gz SBCYSJGDUNDFNP-CABCVRRESA-N 2 1 332.435 3.707 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000551088738 1031032139 /nfs/dbraw/zinc/03/21/39/1031032139.db2.gz FZKNVYAPVVBZHK-YVWYTEFXSA-N 2 1 341.543 3.580 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000551088738 1031032150 /nfs/dbraw/zinc/03/21/50/1031032150.db2.gz FZKNVYAPVVBZHK-YVWYTEFXSA-N 2 1 341.543 3.580 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccsc2Br)c1 ZINC000527634683 1031061636 /nfs/dbraw/zinc/06/16/36/1031061636.db2.gz OYOTUSVGJXXSGB-UHFFFAOYSA-N 2 1 339.302 3.862 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000343484533 1031072529 /nfs/dbraw/zinc/07/25/29/1031072529.db2.gz WANBWZXTNOXSJS-UHFFFAOYSA-N 2 1 330.501 3.558 20 0 EHADMP c1ccc(CN2CC[C@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000657806514 1031104170 /nfs/dbraw/zinc/10/41/70/1031104170.db2.gz DDQFDIFEELIDQJ-QHCPKHFHSA-N 2 1 349.522 3.515 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527658560 1031117107 /nfs/dbraw/zinc/11/71/07/1031117107.db2.gz XBJHRTKANHZQKE-FSSWDIPSSA-N 2 1 344.543 3.929 20 0 EHADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527752350 1031208872 /nfs/dbraw/zinc/20/88/72/1031208872.db2.gz LRGVUCFLXRSRPK-NRFANRHFSA-N 2 1 333.564 3.780 20 0 EHADMP CCOc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1OCC ZINC000527805753 1031276855 /nfs/dbraw/zinc/27/68/55/1031276855.db2.gz HSRDHQWFGRONIQ-SFHVURJKSA-N 2 1 332.488 3.591 20 0 EHADMP CCOc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1OCC ZINC000527805753 1031276866 /nfs/dbraw/zinc/27/68/66/1031276866.db2.gz HSRDHQWFGRONIQ-SFHVURJKSA-N 2 1 332.488 3.591 20 0 EHADMP FC(F)(F)COc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527807020 1031283536 /nfs/dbraw/zinc/28/35/36/1031283536.db2.gz LGDCTXPSCQDYSX-INIZCTEOSA-N 2 1 342.405 3.734 20 0 EHADMP FC(F)(F)COc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527807020 1031283551 /nfs/dbraw/zinc/28/35/51/1031283551.db2.gz LGDCTXPSCQDYSX-INIZCTEOSA-N 2 1 342.405 3.734 20 0 EHADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289297 1031321080 /nfs/dbraw/zinc/32/10/80/1031321080.db2.gz JFXGCBKPMHVVKD-INIZCTEOSA-N 2 1 349.519 3.610 20 0 EHADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000163267475 1031365649 /nfs/dbraw/zinc/36/56/49/1031365649.db2.gz NBRZMTHXYYIIDJ-WIYYLYMNSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000163267827 1031365782 /nfs/dbraw/zinc/36/57/82/1031365782.db2.gz NBRZMTHXYYIIDJ-RXVVDRJESA-N 2 1 329.532 3.502 20 0 EHADMP CCCCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000551534858 1031435150 /nfs/dbraw/zinc/43/51/50/1031435150.db2.gz RJRGTVZQJFUUSK-IBGZPJMESA-N 2 1 347.547 3.544 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000527929257 1031491323 /nfs/dbraw/zinc/49/13/23/1031491323.db2.gz PHGVHHXPNUALAM-MLNNCEHLSA-N 2 1 342.527 3.693 20 0 EHADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000484278471 1031514392 /nfs/dbraw/zinc/51/43/92/1031514392.db2.gz OWCVNNCCUCYIJX-CZOVOBHWSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000278587966 1031515802 /nfs/dbraw/zinc/51/58/02/1031515802.db2.gz ZEQPBGQIQNXKJU-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000278587966 1031515816 /nfs/dbraw/zinc/51/58/16/1031515816.db2.gz ZEQPBGQIQNXKJU-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccoc3)CC2)cs1 ZINC000178092881 1031623956 /nfs/dbraw/zinc/62/39/56/1031623956.db2.gz UGFBXQCRGASROL-CQSZACIVSA-N 2 1 333.501 3.861 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000194932181 1031737556 /nfs/dbraw/zinc/73/75/56/1031737556.db2.gz OPQBUUHONUGWHP-IPELMVKDSA-N 2 1 348.556 3.827 20 0 EHADMP C[C@@]1(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326155 1031949837 /nfs/dbraw/zinc/94/98/37/1031949837.db2.gz FCNMRNYKXIQTPK-IUODEOHRSA-N 2 1 347.450 3.731 20 0 EHADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326155 1031949852 /nfs/dbraw/zinc/94/98/52/1031949852.db2.gz FCNMRNYKXIQTPK-IUODEOHRSA-N 2 1 347.450 3.731 20 0 EHADMP c1c[nH]c([C@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2ccccn2)n1 ZINC000278693428 1032018068 /nfs/dbraw/zinc/01/80/68/1032018068.db2.gz KNLBSAMFKYEEPE-LJQANCHMSA-N 2 1 341.503 3.530 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939092 1032023325 /nfs/dbraw/zinc/02/33/25/1032023325.db2.gz CABQGQBYXBVNGW-PSBKLILYSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939092 1032023343 /nfs/dbraw/zinc/02/33/43/1032023343.db2.gz CABQGQBYXBVNGW-PSBKLILYSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939092 1032023358 /nfs/dbraw/zinc/02/33/58/1032023358.db2.gz CABQGQBYXBVNGW-PSBKLILYSA-N 3 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939092 1032023375 /nfs/dbraw/zinc/02/33/75/1032023375.db2.gz CABQGQBYXBVNGW-PSBKLILYSA-N 2 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939092 1032023392 /nfs/dbraw/zinc/02/33/92/1032023392.db2.gz CABQGQBYXBVNGW-PSBKLILYSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)CC[C@H]1C[NH3+] ZINC000904410669 1032024659 /nfs/dbraw/zinc/02/46/59/1032024659.db2.gz QYKDOQOTMBUIPX-BDAKNGLRSA-N 2 1 337.714 3.581 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)CC[C@H]1C[NH3+] ZINC000904410669 1032024678 /nfs/dbraw/zinc/02/46/78/1032024678.db2.gz QYKDOQOTMBUIPX-BDAKNGLRSA-N 2 1 337.714 3.581 20 0 EHADMP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000536659083 1032053861 /nfs/dbraw/zinc/05/38/61/1032053861.db2.gz CQXHKYPXJNOIDL-GOSISDBHSA-N 2 1 328.500 3.926 20 0 EHADMP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000536659083 1032053881 /nfs/dbraw/zinc/05/38/81/1032053881.db2.gz CQXHKYPXJNOIDL-GOSISDBHSA-N 2 1 328.500 3.926 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470037 1033367421 /nfs/dbraw/zinc/36/74/21/1033367421.db2.gz JOIUNGUEXJWLGE-GOEBONIOSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470037 1033367430 /nfs/dbraw/zinc/36/74/30/1033367430.db2.gz JOIUNGUEXJWLGE-GOEBONIOSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470037 1033367441 /nfs/dbraw/zinc/36/74/41/1033367441.db2.gz JOIUNGUEXJWLGE-GOEBONIOSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470037 1033367452 /nfs/dbraw/zinc/36/74/52/1033367452.db2.gz JOIUNGUEXJWLGE-GOEBONIOSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000401160242 1033523479 /nfs/dbraw/zinc/52/34/79/1033523479.db2.gz OKSAXUFOGCJSCC-PZJWPPBQSA-N 2 1 337.511 3.884 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000401160242 1033523485 /nfs/dbraw/zinc/52/34/85/1033523485.db2.gz OKSAXUFOGCJSCC-PZJWPPBQSA-N 2 1 337.511 3.884 20 0 EHADMP CC[NH+](CC)Cc1ccc(CNc2nc(N3CCCC3)cc[nH+]2)cc1 ZINC000603369353 1033576935 /nfs/dbraw/zinc/57/69/35/1033576935.db2.gz MUWYFZIBMYMTFB-UHFFFAOYSA-N 2 1 339.487 3.531 20 0 EHADMP Cc1nc(C)c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000685581719 1033587243 /nfs/dbraw/zinc/58/72/43/1033587243.db2.gz LTUHDXGCTJAGLZ-LJQANCHMSA-N 2 1 327.472 3.682 20 0 EHADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(=O)OC(C)(C)C ZINC000595001776 1033628407 /nfs/dbraw/zinc/62/84/07/1033628407.db2.gz YNEKZSMLUGVOHV-RCCFBDPRSA-N 2 1 338.536 3.597 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598980036 1033628777 /nfs/dbraw/zinc/62/87/77/1033628777.db2.gz ALSMJSJBWQHWMC-AWEZNQCLSA-N 2 1 338.517 3.525 20 0 EHADMP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988645 1033751852 /nfs/dbraw/zinc/75/18/52/1033751852.db2.gz JCGGTVCIDQQQLL-MJGOQNOKSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988645 1033751865 /nfs/dbraw/zinc/75/18/65/1033751865.db2.gz JCGGTVCIDQQQLL-MJGOQNOKSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000655770771 1033827091 /nfs/dbraw/zinc/82/70/91/1033827091.db2.gz PBABRDYZTQACJW-PZJWPPBQSA-N 2 1 328.500 3.605 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000655770772 1033827247 /nfs/dbraw/zinc/82/72/47/1033827247.db2.gz PBABRDYZTQACJW-TZIWHRDSSA-N 2 1 328.500 3.605 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658123939 1033981584 /nfs/dbraw/zinc/98/15/84/1033981584.db2.gz OCXHREUWUOIGKT-DNVJHFABSA-N 2 1 349.522 3.823 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)s1 ZINC000658141185 1033987648 /nfs/dbraw/zinc/98/76/48/1033987648.db2.gz ROIIHNOLXQTNQN-DNVCBOLYSA-N 2 1 344.524 3.782 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000658223192 1034078835 /nfs/dbraw/zinc/07/88/35/1034078835.db2.gz ZIMSEVHYCRYNMG-QNDFHXLGSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(F)cn2)cc1 ZINC000529533262 1034119937 /nfs/dbraw/zinc/11/99/37/1034119937.db2.gz KTOAHQUFKPGQDB-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000658319073 1034195025 /nfs/dbraw/zinc/19/50/25/1034195025.db2.gz WPGBJRSOESHHNH-UXHICEINSA-N 2 1 340.511 3.590 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001168329224 1034203194 /nfs/dbraw/zinc/20/31/94/1034203194.db2.gz QQGDDYSKXMJDGO-LZBANZJXSA-N 2 1 341.543 3.600 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000421821417 1034237706 /nfs/dbraw/zinc/23/77/06/1034237706.db2.gz RGMWCJIDQXFXNT-NRFANRHFSA-N 2 1 349.522 3.892 20 0 EHADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000596691584 1034354057 /nfs/dbraw/zinc/35/40/57/1034354057.db2.gz KQNCSSJHZWXIOF-QFIPXVFZSA-N 2 1 338.495 3.536 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000534347199 1034417973 /nfs/dbraw/zinc/41/79/73/1034417973.db2.gz YDQYCBVCBWKQBJ-UHFFFAOYSA-N 2 1 330.516 3.952 20 0 EHADMP COc1nccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1F ZINC000892467962 1034428979 /nfs/dbraw/zinc/42/89/79/1034428979.db2.gz NYRTYWXKJFQDLH-UHFFFAOYSA-N 2 1 343.446 3.505 20 0 EHADMP COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000450604840 1034557738 /nfs/dbraw/zinc/55/77/38/1034557738.db2.gz XUSXZJBIFXUIKI-MAUKXSAKSA-N 2 1 334.891 3.797 20 0 EHADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)n2c1CCCC2 ZINC000548937103 1035040055 /nfs/dbraw/zinc/04/00/55/1035040055.db2.gz VGLXFOPLQHVRHT-IBGZPJMESA-N 2 1 343.515 3.891 20 0 EHADMP CC(C)C1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000570084422 1035046342 /nfs/dbraw/zinc/04/63/42/1035046342.db2.gz DFYNUFOBBVKNPJ-CBNMVNINSA-N 2 1 335.580 3.549 20 0 EHADMP Cc1ccc(OCCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000472447134 1035105120 /nfs/dbraw/zinc/10/51/20/1035105120.db2.gz BPBOEFNQITXESY-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(OCCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472447134 1035105123 /nfs/dbraw/zinc/10/51/23/1035105123.db2.gz BPBOEFNQITXESY-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(OCCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472447134 1035105127 /nfs/dbraw/zinc/10/51/27/1035105127.db2.gz BPBOEFNQITXESY-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000668786316 1035228272 /nfs/dbraw/zinc/22/82/72/1035228272.db2.gz YYCCWQNBJGFEIM-IBGZPJMESA-N 2 1 344.524 3.958 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000668786316 1035228277 /nfs/dbraw/zinc/22/82/77/1035228277.db2.gz YYCCWQNBJGFEIM-IBGZPJMESA-N 2 1 344.524 3.958 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000685840432 1035385752 /nfs/dbraw/zinc/38/57/52/1035385752.db2.gz XJUOOFQFJZSOPR-HXUWFJFHSA-N 2 1 334.507 3.903 20 0 EHADMP C[N@H+](Cc1ccnc(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000172269131 1035497663 /nfs/dbraw/zinc/49/76/63/1035497663.db2.gz IBOOWVMWIVZXCH-UHFFFAOYSA-N 2 1 329.875 3.831 20 0 EHADMP C[N@@H+](Cc1ccnc(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000172269131 1035497671 /nfs/dbraw/zinc/49/76/71/1035497671.db2.gz IBOOWVMWIVZXCH-UHFFFAOYSA-N 2 1 329.875 3.831 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cc(Cl)cc(Cl)c2)CCN1C ZINC000531143630 1035533697 /nfs/dbraw/zinc/53/36/97/1035533697.db2.gz CZMFWRDXPODAED-DOMZBBRYSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CCOc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000531143630 1035533704 /nfs/dbraw/zinc/53/37/04/1035533704.db2.gz CZMFWRDXPODAED-DOMZBBRYSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CCOc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000531143630 1035533714 /nfs/dbraw/zinc/53/37/14/1035533714.db2.gz CZMFWRDXPODAED-DOMZBBRYSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000531143630 1035533725 /nfs/dbraw/zinc/53/37/25/1035533725.db2.gz CZMFWRDXPODAED-DOMZBBRYSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000531143630 1035533736 /nfs/dbraw/zinc/53/37/36/1035533736.db2.gz CZMFWRDXPODAED-DOMZBBRYSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143630 1035533743 /nfs/dbraw/zinc/53/37/43/1035533743.db2.gz CZMFWRDXPODAED-DOMZBBRYSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143630 1035533755 /nfs/dbraw/zinc/53/37/55/1035533755.db2.gz CZMFWRDXPODAED-DOMZBBRYSA-N 2 1 331.287 3.787 20 0 EHADMP CC(C)(C)OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000540976175 1035864160 /nfs/dbraw/zinc/86/41/60/1035864160.db2.gz JIWKBWBAGBNZCR-XUVXKRRUSA-N 2 1 330.516 3.692 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000414188638 1035956518 /nfs/dbraw/zinc/95/65/18/1035956518.db2.gz QMYCAJLJVVRWRJ-AAEUAGOBSA-N 2 1 343.334 3.819 20 0 EHADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000414187086 1035967365 /nfs/dbraw/zinc/96/73/65/1035967365.db2.gz PPPJBDYFMFRCDF-KBXCAEBGSA-N 2 1 331.460 3.552 20 0 EHADMP Cc1cc([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191893 1035976993 /nfs/dbraw/zinc/97/69/93/1035976993.db2.gz SCPJCJNDOPTBGW-UTKZUKDTSA-N 2 1 341.474 3.940 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120247 1036005059 /nfs/dbraw/zinc/00/50/59/1036005059.db2.gz NPGQHGFVZHACQB-IPMKNSEASA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120247 1036005078 /nfs/dbraw/zinc/00/50/78/1036005078.db2.gz NPGQHGFVZHACQB-IPMKNSEASA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(Br)c1Cl ZINC000414214161 1036095761 /nfs/dbraw/zinc/09/57/61/1036095761.db2.gz UXROOUTVPZQEAU-GYSYKLTISA-N 2 1 345.712 3.921 20 0 EHADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000300422268 1036115142 /nfs/dbraw/zinc/11/51/42/1036115142.db2.gz GAUKGJMXZZJUHK-OLZOCXBDSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000300422268 1036115150 /nfs/dbraw/zinc/11/51/50/1036115150.db2.gz GAUKGJMXZZJUHK-OLZOCXBDSA-N 2 1 343.696 3.819 20 0 EHADMP C[C@@](O)(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000189826951 1036153041 /nfs/dbraw/zinc/15/30/41/1036153041.db2.gz ZJIUWNWMPYNODY-JOCHJYFZSA-N 2 1 338.495 3.538 20 0 EHADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000190723330 1036265380 /nfs/dbraw/zinc/26/53/80/1036265380.db2.gz UBUGZQXTSMDJLF-AYWYSENESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000190723330 1036265393 /nfs/dbraw/zinc/26/53/93/1036265393.db2.gz UBUGZQXTSMDJLF-AYWYSENESA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000190723330 1036265400 /nfs/dbraw/zinc/26/54/00/1036265400.db2.gz UBUGZQXTSMDJLF-AYWYSENESA-N 2 1 328.500 3.540 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nc1 ZINC000892580359 1036278849 /nfs/dbraw/zinc/27/88/49/1036278849.db2.gz KECQBBHQFISEBE-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)nc1 ZINC000892580359 1036278868 /nfs/dbraw/zinc/27/88/68/1036278868.db2.gz KECQBBHQFISEBE-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)nc1 ZINC000892580360 1036280667 /nfs/dbraw/zinc/28/06/67/1036280667.db2.gz KECQBBHQFISEBE-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)nc1 ZINC000892580360 1036280683 /nfs/dbraw/zinc/28/06/83/1036280683.db2.gz KECQBBHQFISEBE-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000190772485 1036290805 /nfs/dbraw/zinc/29/08/05/1036290805.db2.gz CKXYJHXFBZIXRP-ZDUSSCGKSA-N 2 1 329.282 3.644 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000190772288 1036293066 /nfs/dbraw/zinc/29/30/66/1036293066.db2.gz DFXGBEDIFXCSRG-SFHVURJKSA-N 2 1 332.536 3.670 20 0 EHADMP CC[NH+]1CCC(CC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)CC1 ZINC001168389827 1036378966 /nfs/dbraw/zinc/37/89/66/1036378966.db2.gz WVHZFTWOSFLWHJ-UHFFFAOYSA-N 2 1 347.591 3.695 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCO[C@@H](C)C3)C2)s1 ZINC000572768876 1036513371 /nfs/dbraw/zinc/51/33/71/1036513371.db2.gz JALDZGACXOHAIG-RYQLBKOJSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCO[C@@H](C)C3)C2)s1 ZINC000572768876 1036513390 /nfs/dbraw/zinc/51/33/90/1036513390.db2.gz JALDZGACXOHAIG-RYQLBKOJSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCO[C@@H](C)C3)C2)s1 ZINC000572768876 1036513407 /nfs/dbraw/zinc/51/34/07/1036513407.db2.gz JALDZGACXOHAIG-RYQLBKOJSA-N 2 1 336.545 3.625 20 0 EHADMP C[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)CC1CC[NH+](C)CC1 ZINC000513750604 1036522854 /nfs/dbraw/zinc/52/28/54/1036522854.db2.gz KYBUUYGVSMHDMT-UHFFFAOYSA-N 2 1 334.410 3.998 20 0 EHADMP c1cc(S[C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC001168393118 1036585591 /nfs/dbraw/zinc/58/55/91/1036585591.db2.gz WEARVFVZPHWMRD-LJQANCHMSA-N 2 1 331.529 3.513 20 0 EHADMP c1cc(S[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC001168393118 1036585602 /nfs/dbraw/zinc/58/56/02/1036585602.db2.gz WEARVFVZPHWMRD-LJQANCHMSA-N 2 1 331.529 3.513 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CCCC2)o1 ZINC000541732524 1036601686 /nfs/dbraw/zinc/60/16/86/1036601686.db2.gz NJXKCTGJYAOYHG-UYAOXDASSA-N 2 1 334.504 3.646 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000414313642 1036611976 /nfs/dbraw/zinc/61/19/76/1036611976.db2.gz PBNPRUPYICYTKI-IRXDYDNUSA-N 2 1 338.499 3.553 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000464776265 1036769537 /nfs/dbraw/zinc/76/95/37/1036769537.db2.gz LGAQMFLMUGQSGU-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000464776265 1036769551 /nfs/dbraw/zinc/76/95/51/1036769551.db2.gz LGAQMFLMUGQSGU-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310071074 1036770376 /nfs/dbraw/zinc/77/03/76/1036770376.db2.gz DHRGLZKDSRUCIO-MJGOQNOKSA-N 2 1 326.459 3.868 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000414344609 1036801787 /nfs/dbraw/zinc/80/17/87/1036801787.db2.gz ZMEWWRZBHSJJPO-KSEOMHKRSA-N 2 1 349.522 3.859 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2ccncc2)CC1 ZINC000462321975 1036829150 /nfs/dbraw/zinc/82/91/50/1036829150.db2.gz PAASKLJOJGYLMW-IBGZPJMESA-N 2 1 329.532 3.991 20 0 EHADMP CC[NH+](CC)CCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000472600747 1037055701 /nfs/dbraw/zinc/05/57/01/1037055701.db2.gz BYJHWZZIYWGLCD-UHFFFAOYSA-N 2 1 331.548 3.562 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000472600747 1037055718 /nfs/dbraw/zinc/05/57/18/1037055718.db2.gz BYJHWZZIYWGLCD-UHFFFAOYSA-N 3 1 331.548 3.562 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000472600747 1037055739 /nfs/dbraw/zinc/05/57/39/1037055739.db2.gz BYJHWZZIYWGLCD-UHFFFAOYSA-N 3 1 331.548 3.562 20 0 EHADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1OC(C)C ZINC000647544073 1037096966 /nfs/dbraw/zinc/09/69/66/1037096966.db2.gz WCXOBFNAYQNGPS-MSOLQXFVSA-N 2 1 346.515 3.694 20 0 EHADMP CCC1(CO)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000539817711 1037235999 /nfs/dbraw/zinc/23/59/99/1037235999.db2.gz NGHGUCMVENQLAJ-UHFFFAOYSA-N 2 1 332.532 3.629 20 0 EHADMP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(F)c1F ZINC000542310841 1037275570 /nfs/dbraw/zinc/27/55/70/1037275570.db2.gz VNFJOZYBGKSMQZ-UHFFFAOYSA-N 2 1 348.412 3.901 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H]2CCC[C@H]21 ZINC000573116184 1037290424 /nfs/dbraw/zinc/29/04/24/1037290424.db2.gz SNRRXMWJVZQCMC-HSALFYBXSA-N 2 1 337.467 3.836 20 0 EHADMP CCCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000539897549 1037333164 /nfs/dbraw/zinc/33/31/64/1037333164.db2.gz BYXLURLSTOKQQX-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000539897549 1037333182 /nfs/dbraw/zinc/33/31/82/1037333182.db2.gz BYXLURLSTOKQQX-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000539897549 1037333198 /nfs/dbraw/zinc/33/31/98/1037333198.db2.gz BYXLURLSTOKQQX-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924582912 1037338314 /nfs/dbraw/zinc/33/83/14/1037338314.db2.gz OMNSLBYEHRILEL-GOSISDBHSA-N 2 1 325.456 3.746 20 0 EHADMP CC[NH+](CC)[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CC(C)C ZINC000532459551 1037356043 /nfs/dbraw/zinc/35/60/43/1037356043.db2.gz DBJVIBUAHYNHNJ-PCKAHOCUSA-N 2 1 338.458 3.569 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000462797242 1037391749 /nfs/dbraw/zinc/39/17/49/1037391749.db2.gz CGXLVNLJPUIZGB-HGJUEJDCSA-N 2 1 336.564 3.929 20 0 EHADMP C[NH+](C)C/C=C\C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000491645517 1037603386 /nfs/dbraw/zinc/60/33/86/1037603386.db2.gz RZULEUZOLVZVHD-ZROIWOOFSA-N 2 1 329.488 3.507 20 0 EHADMP CC1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC1 ZINC001168211203 1037612290 /nfs/dbraw/zinc/61/22/90/1037612290.db2.gz ANRIMFZHINGAEQ-UHFFFAOYSA-N 2 1 332.488 3.525 20 0 EHADMP CC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC1 ZINC001168211203 1037612301 /nfs/dbraw/zinc/61/23/01/1037612301.db2.gz ANRIMFZHINGAEQ-UHFFFAOYSA-N 2 1 332.488 3.525 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000540160942 1037618517 /nfs/dbraw/zinc/61/85/17/1037618517.db2.gz RZSFZRJDGVQCDJ-PSWRPDDJSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000540160942 1037618529 /nfs/dbraw/zinc/61/85/29/1037618529.db2.gz RZSFZRJDGVQCDJ-PSWRPDDJSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030642 1037687278 /nfs/dbraw/zinc/68/72/78/1037687278.db2.gz UDMMLZMWJDPVJT-IEBWSBKVSA-N 2 1 348.531 3.607 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cnn1-c1ccccc1 ZINC000760896764 1037692335 /nfs/dbraw/zinc/69/23/35/1037692335.db2.gz JJCKFVXXWMSJEN-KRWDZBQOSA-N 2 1 340.515 3.953 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000271433857 1037891824 /nfs/dbraw/zinc/89/18/24/1037891824.db2.gz CJHHNBSIQFRVSR-IIBYNOLFSA-N 2 1 342.458 3.502 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1SC ZINC000592377096 1037918689 /nfs/dbraw/zinc/91/86/89/1037918689.db2.gz NLNOQUXFWLQCAL-FLNBYBTLSA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1SC ZINC000592377096 1037918697 /nfs/dbraw/zinc/91/86/97/1037918697.db2.gz NLNOQUXFWLQCAL-FLNBYBTLSA-N 2 1 348.556 3.538 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463240407 1037925682 /nfs/dbraw/zinc/92/56/82/1037925682.db2.gz PUVCYHJGWUBPRY-WIYYLYMNSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463240407 1037925699 /nfs/dbraw/zinc/92/56/99/1037925699.db2.gz PUVCYHJGWUBPRY-WIYYLYMNSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000925525017 1038261415 /nfs/dbraw/zinc/26/14/15/1038261415.db2.gz DELSLVBDEYLWRL-HGCLJGPKSA-N 2 1 332.332 3.626 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2cnn(C)c2C2CC2)c(C)c1 ZINC000893181077 1038280629 /nfs/dbraw/zinc/28/06/29/1038280629.db2.gz BSEICGAKUUKOIC-FQEVSTJZSA-N 2 1 349.482 3.642 20 0 EHADMP Cc1nccn1CCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000125475678 1038333039 /nfs/dbraw/zinc/33/30/39/1038333039.db2.gz AZYRTTAOXHEOCG-LJQANCHMSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000125475678 1038333052 /nfs/dbraw/zinc/33/30/52/1038333052.db2.gz AZYRTTAOXHEOCG-LJQANCHMSA-N 3 1 346.563 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000125475678 1038333069 /nfs/dbraw/zinc/33/30/69/1038333069.db2.gz AZYRTTAOXHEOCG-LJQANCHMSA-N 3 1 346.563 3.948 20 0 EHADMP CC(C)c1nccn1Cc1cccc(N[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000538527709 1038359507 /nfs/dbraw/zinc/35/95/07/1038359507.db2.gz XTCLUGUFTICQES-LPHOPBHVSA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000538527709 1038359522 /nfs/dbraw/zinc/35/95/22/1038359522.db2.gz XTCLUGUFTICQES-LPHOPBHVSA-N 2 1 326.488 3.807 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000538527709 1038359530 /nfs/dbraw/zinc/35/95/30/1038359530.db2.gz XTCLUGUFTICQES-LPHOPBHVSA-N 2 1 326.488 3.807 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000538730801 1038497618 /nfs/dbraw/zinc/49/76/18/1038497618.db2.gz QQVTXDLJFBNGAJ-NRFANRHFSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000538730801 1038497620 /nfs/dbraw/zinc/49/76/20/1038497620.db2.gz QQVTXDLJFBNGAJ-NRFANRHFSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000538730801 1038497624 /nfs/dbraw/zinc/49/76/24/1038497624.db2.gz QQVTXDLJFBNGAJ-NRFANRHFSA-N 2 1 338.495 3.958 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3nccn32)C[N@H+]1Cc1ccccc1 ZINC000538753493 1038517686 /nfs/dbraw/zinc/51/76/86/1038517686.db2.gz QIVWOTNIVWFYAG-UYAOXDASSA-N 2 1 348.494 3.725 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2CCC(C)(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000893225005 1038580374 /nfs/dbraw/zinc/58/03/74/1038580374.db2.gz HPSBZTWVPPVYKV-FNOBOGDDSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CO1 ZINC000659980709 1038599580 /nfs/dbraw/zinc/59/95/80/1038599580.db2.gz YLUJEGJPVGZVJG-CTNGQTDRSA-N 2 1 328.500 3.542 20 0 EHADMP COc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)sn1 ZINC000660008330 1038691153 /nfs/dbraw/zinc/69/11/53/1038691153.db2.gz WNHPEEBMXXHAEN-HNNXBMFYSA-N 2 1 337.533 3.628 20 0 EHADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)sn1 ZINC000660008330 1038691157 /nfs/dbraw/zinc/69/11/57/1038691157.db2.gz WNHPEEBMXXHAEN-HNNXBMFYSA-N 2 1 337.533 3.628 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539159394 1038710361 /nfs/dbraw/zinc/71/03/61/1038710361.db2.gz CUYMDKGUGNBZRE-IEBWSBKVSA-N 2 1 345.487 3.941 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000479872659 1038816617 /nfs/dbraw/zinc/81/66/17/1038816617.db2.gz IIXVSDVAPBFYSV-OAHLLOKOSA-N 2 1 343.284 3.753 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552110674 1038970385 /nfs/dbraw/zinc/97/03/85/1038970385.db2.gz ZBCLITADCLLXRB-USUABIMMSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552110674 1038970407 /nfs/dbraw/zinc/97/04/07/1038970407.db2.gz ZBCLITADCLLXRB-USUABIMMSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552110674 1038970428 /nfs/dbraw/zinc/97/04/28/1038970428.db2.gz ZBCLITADCLLXRB-USUABIMMSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1csc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000667592844 1039038500 /nfs/dbraw/zinc/03/85/00/1039038500.db2.gz HGFAGTZSWIZZAY-QGZVFWFLSA-N 2 1 336.545 3.983 20 0 EHADMP COCc1csc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000667592844 1039038515 /nfs/dbraw/zinc/03/85/15/1039038515.db2.gz HGFAGTZSWIZZAY-QGZVFWFLSA-N 2 1 336.545 3.983 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1(C)C ZINC000552244490 1039110190 /nfs/dbraw/zinc/11/01/90/1039110190.db2.gz BYYXJTFPTTWNDR-GHBBCFCZSA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000552246486 1039112014 /nfs/dbraw/zinc/11/20/14/1039112014.db2.gz WDUBAJAHCPGKNF-NJYVYQBISA-N 2 1 330.516 3.726 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCSC4)[C@H]3C2)cc1 ZINC000552265140 1039123525 /nfs/dbraw/zinc/12/35/25/1039123525.db2.gz LFVHUGMFPNNJHK-MUGJNUQGSA-N 2 1 330.541 3.772 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000488433391 1039177106 /nfs/dbraw/zinc/17/71/06/1039177106.db2.gz QZGDCTFWORIVOZ-OALUTQOASA-N 2 1 348.556 3.529 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000552437243 1039283710 /nfs/dbraw/zinc/28/37/10/1039283710.db2.gz RULDMQGSCSBXRB-CZUORRHYSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000552437243 1039283715 /nfs/dbraw/zinc/28/37/15/1039283715.db2.gz RULDMQGSCSBXRB-CZUORRHYSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000552437243 1039283723 /nfs/dbraw/zinc/28/37/23/1039283723.db2.gz RULDMQGSCSBXRB-CZUORRHYSA-N 2 1 328.859 3.520 20 0 EHADMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000488717844 1039353150 /nfs/dbraw/zinc/35/31/50/1039353150.db2.gz UMWFPNNVPIKOTK-QGZVFWFLSA-N 2 1 346.272 3.529 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000488717844 1039353164 /nfs/dbraw/zinc/35/31/64/1039353164.db2.gz UMWFPNNVPIKOTK-QGZVFWFLSA-N 2 1 346.272 3.529 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237479348 1039372478 /nfs/dbraw/zinc/37/24/78/1039372478.db2.gz CMMAGXTVLCIOGY-MRXNPFEDSA-N 2 1 337.467 3.630 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237527373 1039380588 /nfs/dbraw/zinc/38/05/88/1039380588.db2.gz UQWKKFYBXDURTP-INIZCTEOSA-N 2 1 337.467 3.772 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccsc3)CC2)cc1 ZINC000584738011 1039661117 /nfs/dbraw/zinc/66/11/17/1039661117.db2.gz SMFFNAHKHCAIOB-UHFFFAOYSA-N 2 1 332.488 3.726 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OCCC(C)C ZINC000531682999 1039707096 /nfs/dbraw/zinc/70/70/96/1039707096.db2.gz XYMIBBYHSJOCJG-ZHALLVOQSA-N 2 1 348.531 3.938 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OCCC(C)C ZINC000531682999 1039707106 /nfs/dbraw/zinc/70/71/06/1039707106.db2.gz XYMIBBYHSJOCJG-ZHALLVOQSA-N 2 1 348.531 3.938 20 0 EHADMP Fc1c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1OC1CC1 ZINC000667708709 1039768574 /nfs/dbraw/zinc/76/85/74/1039768574.db2.gz KEUVEHGIKGMEFK-BEFAXECRSA-N 2 1 344.474 3.816 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000554938432 1039977606 /nfs/dbraw/zinc/97/76/06/1039977606.db2.gz HFSQQCWCXSLTEA-KRWDZBQOSA-N 2 1 345.918 3.958 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000554938432 1039977622 /nfs/dbraw/zinc/97/76/22/1039977622.db2.gz HFSQQCWCXSLTEA-KRWDZBQOSA-N 2 1 345.918 3.958 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000554938432 1039977634 /nfs/dbraw/zinc/97/76/34/1039977634.db2.gz HFSQQCWCXSLTEA-KRWDZBQOSA-N 2 1 345.918 3.958 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(C(C)(C)C)cc1 ZINC000555092581 1040134365 /nfs/dbraw/zinc/13/43/65/1040134365.db2.gz JPJNPNCSSWEMPC-QHAWAJNXSA-N 2 1 344.543 3.710 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)nc1 ZINC000188991746 1040142422 /nfs/dbraw/zinc/14/24/22/1040142422.db2.gz BQPNEWOVIQUMDU-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667786210 1040192451 /nfs/dbraw/zinc/19/24/51/1040192451.db2.gz LCFXSAZNBBIPLQ-HBGVWJBISA-N 2 1 328.500 3.576 20 0 EHADMP Cc1ccc(N2CCC([NH2+]Cc3cc4ccc(F)cc4[nH]3)CC2)[nH+]c1 ZINC000486679135 1040345004 /nfs/dbraw/zinc/34/50/04/1040345004.db2.gz CMLVASROQDSQOX-UHFFFAOYSA-N 2 1 338.430 3.769 20 0 EHADMP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)c1cccc(OC)c1 ZINC000667516050 1040381594 /nfs/dbraw/zinc/38/15/94/1040381594.db2.gz SQFZJFRRDBHIFM-MRXNPFEDSA-N 2 1 336.439 3.859 20 0 EHADMP CC(C)(C)OC1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000490171724 1040381838 /nfs/dbraw/zinc/38/18/38/1040381838.db2.gz HNMLXAXBXIGJQU-GTPINHCMSA-N 2 1 336.545 3.896 20 0 EHADMP CC(C)(C)OC1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000490171724 1040381856 /nfs/dbraw/zinc/38/18/56/1040381856.db2.gz HNMLXAXBXIGJQU-GTPINHCMSA-N 2 1 336.545 3.896 20 0 EHADMP CC[C@@H](C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)[NH+]1CCCC1 ZINC000490173893 1040383856 /nfs/dbraw/zinc/38/38/56/1040383856.db2.gz YRMAIYMXEBAQOU-SJORKVTESA-N 2 1 325.500 3.798 20 0 EHADMP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000555511272 1040716326 /nfs/dbraw/zinc/71/63/26/1040716326.db2.gz AYJLCCLQRHZPIW-UHFFFAOYSA-N 2 1 344.886 3.770 20 0 EHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255649 1040861065 /nfs/dbraw/zinc/86/10/65/1040861065.db2.gz UEGPOWHPGKGWPE-OAHLLOKOSA-N 2 1 349.438 3.596 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000569823602 1040909308 /nfs/dbraw/zinc/90/93/08/1040909308.db2.gz ADFYLNGECZSTQV-CVEARBPZSA-N 2 1 345.512 3.715 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000569823602 1040909332 /nfs/dbraw/zinc/90/93/32/1040909332.db2.gz ADFYLNGECZSTQV-CVEARBPZSA-N 2 1 345.512 3.715 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894135686 1041158828 /nfs/dbraw/zinc/15/88/28/1041158828.db2.gz ZIQBIRMKYWDLGC-FQEVSTJZSA-N 2 1 340.515 3.693 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2Cl)no1 ZINC001212145378 1041167373 /nfs/dbraw/zinc/16/73/73/1041167373.db2.gz RFOWCBHQVATKDF-AWEZNQCLSA-N 2 1 340.830 3.697 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c2cc(OC(F)(F)F)ccc21 ZINC000899876824 1041268510 /nfs/dbraw/zinc/26/85/10/1041268510.db2.gz PHYVWNVAQYINER-VXGBXAGGSA-N 2 1 339.361 3.662 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513014236 1041390495 /nfs/dbraw/zinc/39/04/95/1041390495.db2.gz GINJRWQARXFAHU-VLGSPTGOSA-N 2 1 349.950 3.751 20 0 EHADMP C[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729032 1041393934 /nfs/dbraw/zinc/39/39/34/1041393934.db2.gz MQRBSAGDAWJLLG-KNQAVFIVSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729032 1041393947 /nfs/dbraw/zinc/39/39/47/1041393947.db2.gz MQRBSAGDAWJLLG-KNQAVFIVSA-N 2 1 338.495 3.671 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678602 1041770454 /nfs/dbraw/zinc/77/04/54/1041770454.db2.gz WLKPHHZIORUKBQ-OAQYLSRUSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000660833627 1041841276 /nfs/dbraw/zinc/84/12/76/1041841276.db2.gz HDBVEOYGLNVABO-IBGZPJMESA-N 2 1 335.580 3.695 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411545 1041901710 /nfs/dbraw/zinc/90/17/10/1041901710.db2.gz HDUFFTXRGZQEHF-SJLPKXTDSA-N 2 1 327.447 3.529 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000661437291 1042122540 /nfs/dbraw/zinc/12/25/40/1042122540.db2.gz KIPVZQIIHMLUCZ-HXUWFJFHSA-N 2 1 345.531 3.613 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cc(Cl)c1O ZINC000651865227 1042125346 /nfs/dbraw/zinc/12/53/46/1042125346.db2.gz RCYCELBKVHDUPJ-UHFFFAOYSA-N 2 1 328.884 3.512 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc(Cl)c1O ZINC000651865227 1042125349 /nfs/dbraw/zinc/12/53/49/1042125349.db2.gz RCYCELBKVHDUPJ-UHFFFAOYSA-N 2 1 328.884 3.512 20 0 EHADMP COc1cccc([C@@]2(C)CC[N@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000661709561 1042266939 /nfs/dbraw/zinc/26/69/39/1042266939.db2.gz QIRFNZPRQUTVFH-FQEVSTJZSA-N 2 1 327.472 3.644 20 0 EHADMP COc1cccc([C@@]2(C)CC[N@@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000661709561 1042266947 /nfs/dbraw/zinc/26/69/47/1042266947.db2.gz QIRFNZPRQUTVFH-FQEVSTJZSA-N 2 1 327.472 3.644 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000473146358 1042329762 /nfs/dbraw/zinc/32/97/62/1042329762.db2.gz LSECRRJBEKDMLS-UHFFFAOYSA-N 2 1 342.458 3.875 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)C1 ZINC000652349671 1042408865 /nfs/dbraw/zinc/40/88/65/1042408865.db2.gz YOLNWDLOQNMRAM-GSHUGGBRSA-N 2 1 348.490 3.975 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000652350264 1042409409 /nfs/dbraw/zinc/40/94/09/1042409409.db2.gz OPPMUSWJGORFTI-QZCPTFHJSA-N 2 1 334.891 3.546 20 0 EHADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000662129902 1042539027 /nfs/dbraw/zinc/53/90/27/1042539027.db2.gz NMOKLXZGNQHFHN-VCYXJBJXSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298429 1042665973 /nfs/dbraw/zinc/66/59/73/1042665973.db2.gz WCBKQCOQUYPCSA-MAUKXSAKSA-N 2 1 340.471 3.509 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CCC[NH3+] ZINC000662312421 1042681784 /nfs/dbraw/zinc/68/17/84/1042681784.db2.gz CBEGFOMKHMSAQS-CZUORRHYSA-N 2 1 348.878 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000161779534 1042685467 /nfs/dbraw/zinc/68/54/67/1042685467.db2.gz JJWNORLARBRJGS-GOSISDBHSA-N 2 1 343.515 3.586 20 0 EHADMP Cc1nccn1CCCC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000161864903 1042687120 /nfs/dbraw/zinc/68/71/20/1042687120.db2.gz CDWVPTMYSWSQTJ-UHFFFAOYSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000161864903 1042687121 /nfs/dbraw/zinc/68/71/21/1042687121.db2.gz CDWVPTMYSWSQTJ-UHFFFAOYSA-N 3 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000161864903 1042687123 /nfs/dbraw/zinc/68/71/23/1042687123.db2.gz CDWVPTMYSWSQTJ-UHFFFAOYSA-N 3 1 340.515 3.568 20 0 EHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCC2CCCC2)CC1 ZINC000662328133 1042690605 /nfs/dbraw/zinc/69/06/05/1042690605.db2.gz OQGLWUYPMZLLJO-UHFFFAOYSA-N 2 1 330.520 3.636 20 0 EHADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347077 1042732114 /nfs/dbraw/zinc/73/21/14/1042732114.db2.gz ZCIOZJPJCHTPSS-INIZCTEOSA-N 2 1 338.442 3.808 20 0 EHADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347077 1042732120 /nfs/dbraw/zinc/73/21/20/1042732120.db2.gz ZCIOZJPJCHTPSS-INIZCTEOSA-N 2 1 338.442 3.808 20 0 EHADMP COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000121714011 1042809046 /nfs/dbraw/zinc/80/90/46/1042809046.db2.gz ZZUDMMIMMQQLHC-UHFFFAOYSA-N 2 1 338.495 3.534 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000343925899 1042847432 /nfs/dbraw/zinc/84/74/32/1042847432.db2.gz ISENQMNXLDZQAA-SJORKVTESA-N 2 1 328.504 3.952 20 0 EHADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464065 1042886565 /nfs/dbraw/zinc/88/65/65/1042886565.db2.gz BWBJZVSOLZSVNM-HKUYNNGSSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464065 1042886569 /nfs/dbraw/zinc/88/65/69/1042886569.db2.gz BWBJZVSOLZSVNM-HKUYNNGSSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464065 1042886573 /nfs/dbraw/zinc/88/65/73/1042886573.db2.gz BWBJZVSOLZSVNM-HKUYNNGSSA-N 2 1 338.499 3.645 20 0 EHADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466177 1042887871 /nfs/dbraw/zinc/88/78/71/1042887871.db2.gz OWAQJKWQFWJQJP-YLJYHZDGSA-N 2 1 328.500 3.784 20 0 EHADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000643527280 1042978053 /nfs/dbraw/zinc/97/80/53/1042978053.db2.gz KVAYXMXMXBHBOZ-QPUJVOFHSA-N 2 1 339.199 3.856 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(C)(c3ccccc3)CC2)CCCO1 ZINC000432413691 1043120622 /nfs/dbraw/zinc/12/06/22/1043120622.db2.gz OCHOIMDTWMYPJT-KPQWGBOZSA-N 2 1 344.543 3.977 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(C)(c3ccccc3)CC2)CCCO1 ZINC000432413691 1043120623 /nfs/dbraw/zinc/12/06/23/1043120623.db2.gz OCHOIMDTWMYPJT-KPQWGBOZSA-N 2 1 344.543 3.977 20 0 EHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000279006326 1043174091 /nfs/dbraw/zinc/17/40/91/1043174091.db2.gz SDRVXQUEXLGLAD-WMZOPIPTSA-N 2 1 325.456 3.566 20 0 EHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432426423 1043176052 /nfs/dbraw/zinc/17/60/52/1043176052.db2.gz ZYRQAKTTZKQAKA-CABCVRRESA-N 2 1 340.895 3.500 20 0 EHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432426423 1043176058 /nfs/dbraw/zinc/17/60/58/1043176058.db2.gz ZYRQAKTTZKQAKA-CABCVRRESA-N 2 1 340.895 3.500 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1 ZINC000279014183 1043201536 /nfs/dbraw/zinc/20/15/36/1043201536.db2.gz UBBOUFKIJWPPRW-CZUORRHYSA-N 2 1 335.398 3.788 20 0 EHADMP Cc1nn(-c2ccncc2)cc1CNCc1nc(C(C)C)c(C)s1 ZINC000344128805 1043297867 /nfs/dbraw/zinc/29/78/67/1043297867.db2.gz UIUMRAPMZKXXCY-UHFFFAOYSA-N 2 1 341.484 3.754 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000774906489 1134115387 /nfs/dbraw/zinc/11/53/87/1134115387.db2.gz BMYCHEZQUNIZJZ-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000774906489 1134115390 /nfs/dbraw/zinc/11/53/90/1134115390.db2.gz BMYCHEZQUNIZJZ-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000774906489 1134115394 /nfs/dbraw/zinc/11/53/94/1134115394.db2.gz BMYCHEZQUNIZJZ-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000774906489 1134115399 /nfs/dbraw/zinc/11/53/99/1134115399.db2.gz BMYCHEZQUNIZJZ-XJKSGUPXSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271604 1043563497 /nfs/dbraw/zinc/56/34/97/1043563497.db2.gz ABNVRLHFFQTCLS-SFHLNBCPSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271604 1043563504 /nfs/dbraw/zinc/56/35/04/1043563504.db2.gz ABNVRLHFFQTCLS-SFHLNBCPSA-N 2 1 344.543 3.818 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000512196751 1044034425 /nfs/dbraw/zinc/03/44/25/1044034425.db2.gz RCJVZJINANVJNU-IBGZPJMESA-N 2 1 328.500 3.565 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000512196751 1044034431 /nfs/dbraw/zinc/03/44/31/1044034431.db2.gz RCJVZJINANVJNU-IBGZPJMESA-N 2 1 328.500 3.565 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402991547 1126818272 /nfs/dbraw/zinc/81/82/72/1126818272.db2.gz MNCMTQSIYWFAGW-NOLJZWGESA-N 2 1 328.378 3.707 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000174514505 1126854640 /nfs/dbraw/zinc/85/46/40/1126854640.db2.gz OIUPMOVOWLYOFS-VQIMIIECSA-N 2 1 342.458 3.977 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000671312326 1126910738 /nfs/dbraw/zinc/91/07/38/1126910738.db2.gz ILQDDVJNHNXMQG-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000671312326 1126910739 /nfs/dbraw/zinc/91/07/39/1126910739.db2.gz ILQDDVJNHNXMQG-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671312326 1126910741 /nfs/dbraw/zinc/91/07/41/1126910741.db2.gz ILQDDVJNHNXMQG-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671312326 1126910742 /nfs/dbraw/zinc/91/07/42/1126910742.db2.gz ILQDDVJNHNXMQG-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344046 1126922830 /nfs/dbraw/zinc/92/28/30/1126922830.db2.gz VIMZRCVUOXYBMR-FQEVSTJZSA-N 2 1 329.532 3.635 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344046 1126922833 /nfs/dbraw/zinc/92/28/33/1126922833.db2.gz VIMZRCVUOXYBMR-FQEVSTJZSA-N 3 1 329.532 3.635 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344046 1126922836 /nfs/dbraw/zinc/92/28/36/1126922836.db2.gz VIMZRCVUOXYBMR-FQEVSTJZSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)C[NH+]1CCCC1 ZINC000623362960 1126930505 /nfs/dbraw/zinc/93/05/05/1126930505.db2.gz RNUOEBMMOZXLGN-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396401 1126943874 /nfs/dbraw/zinc/94/38/74/1126943874.db2.gz QZAVMMJZSFTUHH-WMZOPIPTSA-N 2 1 349.950 3.937 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC3 ZINC000623487431 1126965333 /nfs/dbraw/zinc/96/53/33/1126965333.db2.gz BCAVDBVWLACJEF-HZPDHXFCSA-N 2 1 325.500 3.796 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC3 ZINC000623487430 1126965571 /nfs/dbraw/zinc/96/55/71/1126965571.db2.gz BCAVDBVWLACJEF-HOTGVXAUSA-N 2 1 325.500 3.796 20 0 EHADMP COc1ccccc1[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC(C)C ZINC000623495323 1126967874 /nfs/dbraw/zinc/96/78/74/1126967874.db2.gz ZDWHERZRCDTGLI-QFBILLFUSA-N 2 1 334.504 3.624 20 0 EHADMP COc1ccccc1[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC(C)C ZINC000623495323 1126967877 /nfs/dbraw/zinc/96/78/77/1126967877.db2.gz ZDWHERZRCDTGLI-QFBILLFUSA-N 2 1 334.504 3.624 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000179685269 1127081092 /nfs/dbraw/zinc/08/10/92/1127081092.db2.gz LWXWGFMWLVOZAG-UHFFFAOYSA-N 2 1 334.552 3.662 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000180053029 1127114989 /nfs/dbraw/zinc/11/49/89/1127114989.db2.gz IKBOPRKARLWBEE-OAQYLSRUSA-N 2 1 346.515 3.627 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000623963374 1127223381 /nfs/dbraw/zinc/22/33/81/1127223381.db2.gz GEVRPCCOHISTKG-ROUUACIJSA-N 2 1 333.476 3.795 20 0 EHADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000624046595 1127242202 /nfs/dbraw/zinc/24/22/02/1127242202.db2.gz CSHGIGRILIRPGI-QXAKKESOSA-N 2 1 327.497 3.533 20 0 EHADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000624046595 1127242205 /nfs/dbraw/zinc/24/22/05/1127242205.db2.gz CSHGIGRILIRPGI-QXAKKESOSA-N 2 1 327.497 3.533 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000624123513 1127257139 /nfs/dbraw/zinc/25/71/39/1127257139.db2.gz NNCMYGNLEQHTGL-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000624123513 1127257143 /nfs/dbraw/zinc/25/71/43/1127257143.db2.gz NNCMYGNLEQHTGL-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181495317 1127279936 /nfs/dbraw/zinc/27/99/36/1127279936.db2.gz OGIHFVWPGKEXDY-ZCNNSNEGSA-N 2 1 330.516 3.820 20 0 EHADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000181722033 1127291125 /nfs/dbraw/zinc/29/11/25/1127291125.db2.gz JTXOVHAENSYQLS-SJORKVTESA-N 2 1 343.515 3.590 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(Br)c1 ZINC000181728328 1127291942 /nfs/dbraw/zinc/29/19/42/1127291942.db2.gz TZKTWMQJSVUSKM-LRDDRELGSA-N 2 1 343.284 3.971 20 0 EHADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000381792231 1127492632 /nfs/dbraw/zinc/49/26/32/1127492632.db2.gz BBZGOIGWDRRGGK-NCXUSEDFSA-N 2 1 334.454 3.922 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000765119914 1127575747 /nfs/dbraw/zinc/57/57/47/1127575747.db2.gz UTWKUDKYZCCACK-DLBZAZTESA-N 2 1 326.488 3.563 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000765417406 1127608862 /nfs/dbraw/zinc/60/88/62/1127608862.db2.gz UIVSOVFRUFVSLH-UGKGYDQZSA-N 2 1 349.522 3.692 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000765417406 1127608863 /nfs/dbraw/zinc/60/88/63/1127608863.db2.gz UIVSOVFRUFVSLH-UGKGYDQZSA-N 2 1 349.522 3.692 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cncc(F)c1 ZINC000386325551 1127662270 /nfs/dbraw/zinc/66/22/70/1127662270.db2.gz LKCXZECLAQYZCH-AXNOTKAXSA-N 2 1 339.458 3.782 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000386338039 1127664253 /nfs/dbraw/zinc/66/42/53/1127664253.db2.gz NFUCJVPDVCNIOL-HLAWJBBLSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386338039 1127664255 /nfs/dbraw/zinc/66/42/55/1127664255.db2.gz NFUCJVPDVCNIOL-HLAWJBBLSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386338039 1127664256 /nfs/dbraw/zinc/66/42/56/1127664256.db2.gz NFUCJVPDVCNIOL-HLAWJBBLSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386338039 1127664260 /nfs/dbraw/zinc/66/42/60/1127664260.db2.gz NFUCJVPDVCNIOL-HLAWJBBLSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386338039 1127664262 /nfs/dbraw/zinc/66/42/62/1127664262.db2.gz NFUCJVPDVCNIOL-HLAWJBBLSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545652 1127682688 /nfs/dbraw/zinc/68/26/88/1127682688.db2.gz YOJCIWFECLAEDT-IEBWSBKVSA-N 2 1 336.483 3.823 20 0 EHADMP CCC[N@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000387231204 1127733526 /nfs/dbraw/zinc/73/35/26/1127733526.db2.gz AMTJIWFGLVSTES-UHFFFAOYSA-N 2 1 332.822 3.905 20 0 EHADMP CCC[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000387231204 1127733531 /nfs/dbraw/zinc/73/35/31/1127733531.db2.gz AMTJIWFGLVSTES-UHFFFAOYSA-N 2 1 332.822 3.905 20 0 EHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCC(C)(C)CC3)c2)CC1 ZINC001649061226 1128086767 /nfs/dbraw/zinc/08/67/67/1128086767.db2.gz ZLMAMUJLDMXMJZ-NRFANRHFSA-N 2 1 343.559 3.883 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000065223137 1128186094 /nfs/dbraw/zinc/18/60/94/1128186094.db2.gz HSOKJGOMKOREQE-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000067507215 1128242395 /nfs/dbraw/zinc/24/23/95/1128242395.db2.gz JNKLHNMZANJQMG-CQSZACIVSA-N 2 1 332.879 3.550 20 0 EHADMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166391559 1128455424 /nfs/dbraw/zinc/45/54/24/1128455424.db2.gz KEYTTWACMBPTIQ-FCHUYYIVSA-N 3 1 341.543 3.779 20 0 EHADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166391559 1128455426 /nfs/dbraw/zinc/45/54/26/1128455426.db2.gz KEYTTWACMBPTIQ-FCHUYYIVSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166391559 1128455428 /nfs/dbraw/zinc/45/54/28/1128455428.db2.gz KEYTTWACMBPTIQ-FCHUYYIVSA-N 2 1 341.543 3.779 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C(C)C)C[C@H]3C)CCO2)cc1 ZINC001168630973 1128494828 /nfs/dbraw/zinc/49/48/28/1128494828.db2.gz RLNOOEPPEOFQFS-DWIQEWEKSA-N 2 1 346.515 3.624 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000655845427 1128499053 /nfs/dbraw/zinc/49/90/53/1128499053.db2.gz FWNDEOLOUTVNNE-GJZGRUSLSA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000655845427 1128499055 /nfs/dbraw/zinc/49/90/55/1128499055.db2.gz FWNDEOLOUTVNNE-GJZGRUSLSA-N 2 1 340.389 3.791 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H](SC)C3)CCCC2)CC1 ZINC000921713470 1128658565 /nfs/dbraw/zinc/65/85/65/1128658565.db2.gz NBFPZUDXVCGVMW-WMZOPIPTSA-N 2 1 340.577 3.674 20 0 EHADMP Cn1ccnc1C[C@@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000921799319 1128772315 /nfs/dbraw/zinc/77/23/15/1128772315.db2.gz FPKQUNFDMOKGBV-HXUWFJFHSA-N 2 1 346.478 3.768 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000109443486 1120112667 /nfs/dbraw/zinc/11/26/67/1120112667.db2.gz XBOKJCAJCVTNNS-FQEVSTJZSA-N 2 1 343.515 3.528 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001648921081 1120200134 /nfs/dbraw/zinc/20/01/34/1120200134.db2.gz OZHGWCWCJBZLIV-SBHAEUEKSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001648921081 1120200136 /nfs/dbraw/zinc/20/01/36/1120200136.db2.gz OZHGWCWCJBZLIV-SBHAEUEKSA-N 2 1 343.559 3.607 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2cnn(C3CCC3)c2)c(C)c1 ZINC000921920127 1128918105 /nfs/dbraw/zinc/91/81/05/1128918105.db2.gz GMRUPCPPYULZLC-NRFANRHFSA-N 2 1 349.482 3.953 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494499583 1120573359 /nfs/dbraw/zinc/57/33/59/1120573359.db2.gz ZUKBMMDCGCNGKO-JLSDUUJJSA-N 2 1 340.870 3.773 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000189453181 1120587199 /nfs/dbraw/zinc/58/71/99/1120587199.db2.gz IUDLLLOEKHHCEJ-OAHLLOKOSA-N 2 1 342.314 3.646 20 0 EHADMP CC[C@@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000192719195 1120744934 /nfs/dbraw/zinc/74/49/34/1120744934.db2.gz KTJFADGNVBSOAC-HXUWFJFHSA-N 2 1 331.548 3.703 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C/C=C/c2ccncc2)CC1)CC1CC1 ZINC000495033549 1120934237 /nfs/dbraw/zinc/93/42/37/1120934237.db2.gz YJTQZQSNGJFWIQ-ONEGZZNKSA-N 2 1 327.516 3.929 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653158 1128988185 /nfs/dbraw/zinc/98/81/85/1128988185.db2.gz ACIQNZGVPWOMGA-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Cl ZINC001235433969 1121552925 /nfs/dbraw/zinc/55/29/25/1121552925.db2.gz UAOGOHQMCLSCJT-UHFFFAOYSA-N 2 1 331.287 3.824 20 0 EHADMP COc1cccc2cc(C[NH2+]CCC[NH+]3C[C@@H](C)C[C@H](C)C3)oc21 ZINC000915678442 1121580744 /nfs/dbraw/zinc/58/07/44/1121580744.db2.gz MTYRGXYSARGJHZ-HOTGVXAUSA-N 2 1 330.472 3.899 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001235674253 1121663473 /nfs/dbraw/zinc/66/34/73/1121663473.db2.gz QSYLQGDIAOZZPA-LLVKDONJSA-N 2 1 339.302 3.835 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc(F)c3)CC2)cc1 ZINC000124306435 1122280217 /nfs/dbraw/zinc/28/02/17/1122280217.db2.gz ZRTGGVWXDSRUNO-UHFFFAOYSA-N 2 1 330.422 3.762 20 0 EHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000126536655 1122411613 /nfs/dbraw/zinc/41/16/13/1122411613.db2.gz GYJGRISTIWMMLF-IIBYNOLFSA-N 2 1 340.511 3.853 20 0 EHADMP C[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000556094020 1122809511 /nfs/dbraw/zinc/80/95/11/1122809511.db2.gz ONFCPBFQSAKMEZ-AABGKKOBSA-N 2 1 331.548 3.778 20 0 EHADMP CN1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000556094020 1122809515 /nfs/dbraw/zinc/80/95/15/1122809515.db2.gz ONFCPBFQSAKMEZ-AABGKKOBSA-N 2 1 331.548 3.778 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000556105013 1122815835 /nfs/dbraw/zinc/81/58/35/1122815835.db2.gz PQOCJVOTJKCYKN-HKUYNNGSSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000556105013 1122815843 /nfs/dbraw/zinc/81/58/43/1122815843.db2.gz PQOCJVOTJKCYKN-HKUYNNGSSA-N 2 1 346.421 3.769 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233823 1122886666 /nfs/dbraw/zinc/88/66/66/1122886666.db2.gz SIXGWJFQTOXIKM-RXVVDRJESA-N 2 1 342.527 3.693 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231220 1122892808 /nfs/dbraw/zinc/89/28/08/1122892808.db2.gz DIEZGOUBCZPBRY-SFTDATJTSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H](CN1CCCCC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556857383 1123154530 /nfs/dbraw/zinc/15/45/30/1123154530.db2.gz YWELGLXTIFUAEE-KPQWGBOZSA-N 3 1 343.559 3.894 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000081095711 1123775049 /nfs/dbraw/zinc/77/50/49/1123775049.db2.gz GVJKXLWKTNLZKV-CJNGLKHVSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000081095711 1123775051 /nfs/dbraw/zinc/77/50/51/1123775051.db2.gz GVJKXLWKTNLZKV-CJNGLKHVSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000081095711 1123775054 /nfs/dbraw/zinc/77/50/54/1123775054.db2.gz GVJKXLWKTNLZKV-CJNGLKHVSA-N 2 1 325.294 3.611 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245424139 1123822580 /nfs/dbraw/zinc/82/25/80/1123822580.db2.gz JXRJUNPWYFGYBM-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245424139 1123822585 /nfs/dbraw/zinc/82/25/85/1123822585.db2.gz JXRJUNPWYFGYBM-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245424139 1123822592 /nfs/dbraw/zinc/82/25/92/1123822592.db2.gz JXRJUNPWYFGYBM-WMLDXEAASA-N 2 1 344.421 3.790 20 0 EHADMP CCCC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245712766 1123934266 /nfs/dbraw/zinc/93/42/66/1123934266.db2.gz NLHVCMQGOLQYJX-XSDIEEQYSA-N 2 1 330.516 3.977 20 0 EHADMP CCCC[C@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245712763 1123934317 /nfs/dbraw/zinc/93/43/17/1123934317.db2.gz NLHVCMQGOLQYJX-NCYKPQTJSA-N 2 1 330.516 3.977 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245719971 1123936203 /nfs/dbraw/zinc/93/62/03/1123936203.db2.gz OODGGWFHJOZVJP-LRSLUSHPSA-N 2 1 344.543 3.959 20 0 EHADMP CC(C)COCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245763105 1123948265 /nfs/dbraw/zinc/94/82/65/1123948265.db2.gz VWPAZHWDVNJRQN-WKCHPHFGSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246509970 1124495927 /nfs/dbraw/zinc/49/59/27/1124495927.db2.gz IFEUZSPWSXEJRE-XJKSGUPXSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246509970 1124495928 /nfs/dbraw/zinc/49/59/28/1124495928.db2.gz IFEUZSPWSXEJRE-XJKSGUPXSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000246509970 1124495933 /nfs/dbraw/zinc/49/59/33/1124495933.db2.gz IFEUZSPWSXEJRE-XJKSGUPXSA-N 2 1 325.294 3.611 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000246864339 1124558472 /nfs/dbraw/zinc/55/84/72/1124558472.db2.gz DDRDHZIFDBICEL-SESVDKBCSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246981877 1124575791 /nfs/dbraw/zinc/57/57/91/1124575791.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246981877 1124575799 /nfs/dbraw/zinc/57/57/99/1124575799.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246981877 1124575811 /nfs/dbraw/zinc/57/58/11/1124575811.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246981877 1124575822 /nfs/dbraw/zinc/57/58/22/1124575822.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246981877 1124575829 /nfs/dbraw/zinc/57/58/29/1124575829.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246981877 1124575840 /nfs/dbraw/zinc/57/58/40/1124575840.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246981877 1124575846 /nfs/dbraw/zinc/57/58/46/1124575846.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246981877 1124575850 /nfs/dbraw/zinc/57/58/50/1124575850.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246981877 1124575860 /nfs/dbraw/zinc/57/58/60/1124575860.db2.gz JSXUJULSBLVCDA-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3cc(Cl)ccc3C)C2)[C@@H](C)C1 ZINC000247072095 1124585690 /nfs/dbraw/zinc/58/56/90/1124585690.db2.gz QFIGJIKLOPWNDH-SCTDSRPQSA-N 2 1 349.950 3.795 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)[C@@H](C)C1 ZINC000248185127 1124645526 /nfs/dbraw/zinc/64/55/26/1124645526.db2.gz XDSORJNOPUWRCV-DZFGPLHGSA-N 2 1 330.516 3.709 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520552089 1124653599 /nfs/dbraw/zinc/65/35/99/1124653599.db2.gz SHMLQMZNHKQJNI-NRSPTQNISA-N 2 1 329.532 3.532 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000248399123 1124656996 /nfs/dbraw/zinc/65/69/96/1124656996.db2.gz JRFRNPMXERBVDI-ACIOBRDBSA-N 2 1 349.522 3.905 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248404341 1124658291 /nfs/dbraw/zinc/65/82/91/1124658291.db2.gz QBHKWUOBHXYLHC-PWRODBHTSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000248531020 1124670632 /nfs/dbraw/zinc/67/06/32/1124670632.db2.gz NSWOKBLGPPTUOP-ZWKOTPCHSA-N 2 1 326.488 3.787 20 0 EHADMP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)nc1 ZINC000248894233 1124714699 /nfs/dbraw/zinc/71/46/99/1124714699.db2.gz ZNDCXDDCAKUIRH-ZWKOTPCHSA-N 2 1 329.488 3.697 20 0 EHADMP Cc1ccccc1C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595073 1124823520 /nfs/dbraw/zinc/82/35/20/1124823520.db2.gz DVOXCVQXBNUFLP-LJQANCHMSA-N 2 1 330.516 3.551 20 0 EHADMP C[C@H](CCc1ccccc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594467 1124824498 /nfs/dbraw/zinc/82/44/98/1124824498.db2.gz VEKVJTUFPRDHSN-GOSISDBHSA-N 2 1 348.506 3.772 20 0 EHADMP CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181541155 1124920731 /nfs/dbraw/zinc/92/07/31/1124920731.db2.gz MJALLSUBVFFBRG-MSOLQXFVSA-N 2 1 342.487 3.649 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449081181 1124942774 /nfs/dbraw/zinc/94/27/74/1124942774.db2.gz CIOLPPHLQAOSSP-IAGOWNOFSA-N 2 1 341.474 3.988 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000093397614 1125240335 /nfs/dbraw/zinc/24/03/35/1125240335.db2.gz DXADFMXWBCWZJP-HXUWFJFHSA-N 2 1 349.588 3.987 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000182914299 1125401174 /nfs/dbraw/zinc/40/11/74/1125401174.db2.gz TZOCFIUAMTVQLD-MSOLQXFVSA-N 3 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)ccc1OC ZINC000182914299 1125401175 /nfs/dbraw/zinc/40/11/75/1125401175.db2.gz TZOCFIUAMTVQLD-MSOLQXFVSA-N 2 1 347.547 3.529 20 0 EHADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210700 1125413162 /nfs/dbraw/zinc/41/31/62/1125413162.db2.gz LPKGEQXZBFUBBW-CBPXPLCBSA-N 2 1 341.543 3.724 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC[N@H+]1C ZINC000499708467 1129387090 /nfs/dbraw/zinc/38/70/90/1129387090.db2.gz UJTMQIYKJAEXPT-OXQOHEQNSA-N 2 1 342.458 3.977 20 0 EHADMP Cc1ccncc1CCC[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000347811049 1129851475 /nfs/dbraw/zinc/85/14/75/1129851475.db2.gz VNPRVAHYNSOQMM-UHFFFAOYSA-N 2 1 325.500 3.953 20 0 EHADMP Cc1n[nH]c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117714654 1129885899 /nfs/dbraw/zinc/88/58/99/1129885899.db2.gz IUNOFBJXBGPCRV-IHWFROFDSA-N 2 1 338.499 3.702 20 0 EHADMP Cc1n[nH]c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117714654 1129885904 /nfs/dbraw/zinc/88/59/04/1129885904.db2.gz IUNOFBJXBGPCRV-IHWFROFDSA-N 2 1 338.499 3.702 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(c3ccccc3)C2)c1 ZINC000674879608 1130214928 /nfs/dbraw/zinc/21/49/28/1130214928.db2.gz HJAPROGSCDZPJK-NRFANRHFSA-N 2 1 337.511 3.895 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781436 1130472161 /nfs/dbraw/zinc/47/21/61/1130472161.db2.gz ZQEMLBQAOMOWGE-AUSIDOKSSA-N 2 1 349.522 3.645 20 0 EHADMP c1ccc2[nH]c(-c3ccc(C[NH2+][C@@H]4CC[N@@H+]5CCC[C@@H]5C4)cc3)nc2c1 ZINC000166603835 1130595203 /nfs/dbraw/zinc/59/52/03/1130595203.db2.gz ULVQJZNHTBYLBK-RTBURBONSA-N 2 1 346.478 3.946 20 0 EHADMP c1ccc2[nH]c(-c3ccc(C[NH2+][C@@H]4CC[N@H+]5CCC[C@@H]5C4)cc3)nc2c1 ZINC000166603835 1130595208 /nfs/dbraw/zinc/59/52/08/1130595208.db2.gz ULVQJZNHTBYLBK-RTBURBONSA-N 2 1 346.478 3.946 20 0 EHADMP CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000347991173 1131112016 /nfs/dbraw/zinc/11/20/16/1131112016.db2.gz BQKAYWSXZRSYFD-UZLBHIALSA-N 2 1 326.488 3.706 20 0 EHADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001172432473 1131726111 /nfs/dbraw/zinc/72/61/11/1131726111.db2.gz BITHNQYRFMMVAK-CWJKEVGVSA-N 2 1 330.516 3.690 20 0 EHADMP COc1cccc(C[N@@H+]([C@H](C)CCOC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172446395 1131745659 /nfs/dbraw/zinc/74/56/59/1131745659.db2.gz ZDGCXYSTOBIBGO-MISYRCLQSA-N 2 1 348.531 3.971 20 0 EHADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@H]1F ZINC001206175051 1131847117 /nfs/dbraw/zinc/84/71/17/1131847117.db2.gz RLLOWGRAAFHJJH-HUUCEWRRSA-N 2 1 339.867 3.725 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@H]1F ZINC001206175051 1131847118 /nfs/dbraw/zinc/84/71/18/1131847118.db2.gz RLLOWGRAAFHJJH-HUUCEWRRSA-N 2 1 339.867 3.725 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172930805 1131909471 /nfs/dbraw/zinc/90/94/71/1131909471.db2.gz RVSCRWYVJGOBAR-UAFMIMERSA-N 2 1 334.479 3.855 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172939266 1131912873 /nfs/dbraw/zinc/91/28/73/1131912873.db2.gz OYBVYGIEDSHQCI-LEWJYISDSA-N 2 1 330.516 3.931 20 0 EHADMP CCCOC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173097184 1131953087 /nfs/dbraw/zinc/95/30/87/1131953087.db2.gz IQBFEGUPKHFHGJ-LPOKXYRGSA-N 2 1 348.556 3.850 20 0 EHADMP CCCOC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173097184 1131953091 /nfs/dbraw/zinc/95/30/91/1131953091.db2.gz IQBFEGUPKHFHGJ-LPOKXYRGSA-N 2 1 348.556 3.850 20 0 EHADMP CCCOC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173097184 1131953092 /nfs/dbraw/zinc/95/30/92/1131953092.db2.gz IQBFEGUPKHFHGJ-LPOKXYRGSA-N 2 1 348.556 3.850 20 0 EHADMP CCCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173097184 1131953096 /nfs/dbraw/zinc/95/30/96/1131953096.db2.gz IQBFEGUPKHFHGJ-LPOKXYRGSA-N 2 1 348.556 3.850 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001173085956 1131963971 /nfs/dbraw/zinc/96/39/71/1131963971.db2.gz LMFBABFAGDOGAR-COXVUDFISA-N 2 1 344.421 3.979 20 0 EHADMP CC1([NH2+][C@@H]2CCc3ncsc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001173133436 1131977598 /nfs/dbraw/zinc/97/75/98/1131977598.db2.gz WVIGMGOEYHTZHL-QGZVFWFLSA-N 2 1 341.524 3.645 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001173279130 1132039489 /nfs/dbraw/zinc/03/94/89/1132039489.db2.gz GVFWPVUYBCDFQM-IEBWSBKVSA-N 2 1 332.488 3.525 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001173279130 1132039496 /nfs/dbraw/zinc/03/94/96/1132039496.db2.gz GVFWPVUYBCDFQM-IEBWSBKVSA-N 2 1 332.488 3.525 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)CC[C@@H]1F ZINC001206198606 1132064850 /nfs/dbraw/zinc/06/48/50/1132064850.db2.gz MYLUPKKCZNVJLE-PMACEKPBSA-N 2 1 328.431 3.527 20 0 EHADMP COC(=O)CCCC[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173446700 1132078984 /nfs/dbraw/zinc/07/89/84/1132078984.db2.gz UHFZDWNJFSGMIW-BRWVUGGUSA-N 2 1 326.525 3.726 20 0 EHADMP CC[C@@H](CO)[N@H+](CCn1cc[nH+]c1C)C1CCC(C(C)(C)C)CC1 ZINC001174876271 1132493475 /nfs/dbraw/zinc/49/34/75/1132493475.db2.gz ZWGWWURKEIRPTM-XBMUEBEBSA-N 2 1 335.536 3.869 20 0 EHADMP CC[C@@H](CO)[N@@H+](CCn1cc[nH+]c1C)C1CCC(C(C)(C)C)CC1 ZINC001174876271 1132493479 /nfs/dbraw/zinc/49/34/79/1132493479.db2.gz ZWGWWURKEIRPTM-XBMUEBEBSA-N 2 1 335.536 3.869 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000509455344 1132570163 /nfs/dbraw/zinc/57/01/63/1132570163.db2.gz POJLDEJYVVMLQE-JLXBBBJOSA-N 2 1 335.495 3.985 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000509455344 1132570166 /nfs/dbraw/zinc/57/01/66/1132570166.db2.gz POJLDEJYVVMLQE-JLXBBBJOSA-N 2 1 335.495 3.985 20 0 EHADMP CCN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001168992607 1132626204 /nfs/dbraw/zinc/62/62/04/1132626204.db2.gz GMKCPQFJCPKGRC-VWPQPMDRSA-N 2 1 343.559 3.561 20 0 EHADMP CCN(CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001168992607 1132626208 /nfs/dbraw/zinc/62/62/08/1132626208.db2.gz GMKCPQFJCPKGRC-VWPQPMDRSA-N 2 1 343.559 3.561 20 0 EHADMP CCN(CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001168992607 1132626212 /nfs/dbraw/zinc/62/62/12/1132626212.db2.gz GMKCPQFJCPKGRC-VWPQPMDRSA-N 2 1 343.559 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3Cl)CC1)C2 ZINC001169098917 1132654751 /nfs/dbraw/zinc/65/47/51/1132654751.db2.gz MJLWOPLMUSDFIM-REPLKXPHSA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169081018 1132658407 /nfs/dbraw/zinc/65/84/07/1132658407.db2.gz PCCZGYQMZFOSDL-DKUWSORSSA-N 3 1 341.543 3.504 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169081018 1132658411 /nfs/dbraw/zinc/65/84/11/1132658411.db2.gz PCCZGYQMZFOSDL-DKUWSORSSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(C[C@H](c4ccccc4)CO3)C1)C2 ZINC001169134146 1132666449 /nfs/dbraw/zinc/66/64/49/1132666449.db2.gz QHCIKXBPFKJHGS-VNXMGFANSA-N 2 1 340.511 3.650 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C[NH3+])c3ccc(Br)cc31)C2 ZINC001169109033 1132669536 /nfs/dbraw/zinc/66/95/36/1132669536.db2.gz GPUJFOZVXXZVPM-QDMKHBRRSA-N 2 1 348.288 3.660 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115731 1132672974 /nfs/dbraw/zinc/67/29/74/1132672974.db2.gz NPOGNHWPLOIWFV-YYIAUSFCSA-N 2 1 339.405 3.766 20 0 EHADMP CSc1c[nH]c2nc[nH+]c(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)c12 ZINC001169148763 1132678037 /nfs/dbraw/zinc/67/80/37/1132678037.db2.gz YCVBQRZMMJQLRD-GTNSWQLSSA-N 2 1 333.505 3.635 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc4sccc43)CC1)C2 ZINC001169155530 1132680943 /nfs/dbraw/zinc/68/09/43/1132680943.db2.gz QKCRWYYTNUTONM-BJWYYQGGSA-N 2 1 341.524 3.649 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc4sccc43)CC1)C2 ZINC001169155530 1132680947 /nfs/dbraw/zinc/68/09/47/1132680947.db2.gz QKCRWYYTNUTONM-BJWYYQGGSA-N 2 1 341.524 3.649 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206003137 1132681923 /nfs/dbraw/zinc/68/19/23/1132681923.db2.gz FIXKBGLTTNHPPI-DZGCQCFKSA-N 2 1 325.294 3.564 20 0 EHADMP CCN1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001169233907 1132703309 /nfs/dbraw/zinc/70/33/09/1132703309.db2.gz YAKBSKHIDQLGEG-IJZHQTRZSA-N 2 1 341.543 3.599 20 0 EHADMP CC[NH+]1CCC([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001169233907 1132703316 /nfs/dbraw/zinc/70/33/16/1132703316.db2.gz YAKBSKHIDQLGEG-IJZHQTRZSA-N 3 1 341.543 3.599 20 0 EHADMP CC[NH+]1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001169233907 1132703323 /nfs/dbraw/zinc/70/33/23/1132703323.db2.gz YAKBSKHIDQLGEG-IJZHQTRZSA-N 3 1 341.543 3.599 20 0 EHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)c2cccc(Br)c2)CC1 ZINC001169264907 1132705900 /nfs/dbraw/zinc/70/59/00/1132705900.db2.gz SXEZOAQVQLIESO-ZDUSSCGKSA-N 2 1 325.294 3.926 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)c2cccc(Br)c2)CC1 ZINC001169264907 1132705905 /nfs/dbraw/zinc/70/59/05/1132705905.db2.gz SXEZOAQVQLIESO-ZDUSSCGKSA-N 2 1 325.294 3.926 20 0 EHADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715554 1132741612 /nfs/dbraw/zinc/74/16/12/1132741612.db2.gz QESIXQLZVNNQAI-RDJZCZTQSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715554 1132741617 /nfs/dbraw/zinc/74/16/17/1132741617.db2.gz QESIXQLZVNNQAI-RDJZCZTQSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715554 1132741622 /nfs/dbraw/zinc/74/16/22/1132741622.db2.gz QESIXQLZVNNQAI-RDJZCZTQSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715554 1132741625 /nfs/dbraw/zinc/74/16/25/1132741625.db2.gz QESIXQLZVNNQAI-RDJZCZTQSA-N 2 1 338.923 3.609 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)cc1F ZINC001206025606 1132903811 /nfs/dbraw/zinc/90/38/11/1132903811.db2.gz OFOWHWZXZVOIGU-STQMWFEESA-N 2 1 343.284 3.703 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001206292882 1133029245 /nfs/dbraw/zinc/02/92/45/1133029245.db2.gz FKCKVJLYZAHORP-KRWDZBQOSA-N 2 1 339.321 3.833 20 0 EHADMP FC(F)(F)COc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001177136843 1133034716 /nfs/dbraw/zinc/03/47/16/1133034716.db2.gz YWHODBKHEUIPGL-UHFFFAOYSA-N 2 1 330.394 3.593 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001206296540 1133041561 /nfs/dbraw/zinc/04/15/61/1133041561.db2.gz UFCMOPIPCLAEIS-KRWDZBQOSA-N 2 1 339.321 3.833 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cnc1Cl ZINC001177668698 1133090817 /nfs/dbraw/zinc/09/08/17/1133090817.db2.gz AQHISSCWMWATAF-GOSISDBHSA-N 2 1 343.902 3.698 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cnc1Cl ZINC001177668698 1133090821 /nfs/dbraw/zinc/09/08/21/1133090821.db2.gz AQHISSCWMWATAF-GOSISDBHSA-N 2 1 343.902 3.698 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC001177843637 1133107099 /nfs/dbraw/zinc/10/70/99/1133107099.db2.gz CNUMTRBMIIMXIT-VQIMIIECSA-N 2 1 338.923 3.875 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)C ZINC000773734978 1133147567 /nfs/dbraw/zinc/14/75/67/1133147567.db2.gz PPPLZSZSFADTGH-NRFANRHFSA-N 2 1 332.532 3.800 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338945 1133246585 /nfs/dbraw/zinc/24/65/85/1133246585.db2.gz PBECVYCGTFDUHT-GHTZIAJQSA-N 2 1 349.522 3.818 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338945 1133246591 /nfs/dbraw/zinc/24/65/91/1133246591.db2.gz PBECVYCGTFDUHT-GHTZIAJQSA-N 2 1 349.522 3.818 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(Cl)c1N ZINC001179338529 1133246784 /nfs/dbraw/zinc/24/67/84/1133246784.db2.gz IPAPKUKCASBFIR-MAUKXSAKSA-N 2 1 343.902 3.780 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C3CC(Nc4ccccc4)C3)CC2)cc1 ZINC001179519781 1133255265 /nfs/dbraw/zinc/25/52/65/1133255265.db2.gz AVWJEZLFWFCSFK-UHFFFAOYSA-N 2 1 349.522 3.926 20 0 EHADMP CC[NH+](CC)CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC001179804981 1133285112 /nfs/dbraw/zinc/28/51/12/1133285112.db2.gz CBIVIINSUKARSA-HKBOAZHASA-N 2 1 329.532 3.676 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000769472151 1133297149 /nfs/dbraw/zinc/29/71/49/1133297149.db2.gz FIBGGBQHZVFQJR-LJQANCHMSA-N 2 1 327.516 3.595 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000769472151 1133297154 /nfs/dbraw/zinc/29/71/54/1133297154.db2.gz FIBGGBQHZVFQJR-LJQANCHMSA-N 2 1 327.516 3.595 20 0 EHADMP C[C@H](C[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1)NC(=O)OC(C)(C)C ZINC000769677861 1133328183 /nfs/dbraw/zinc/32/81/83/1133328183.db2.gz GFNAOUXPVCVIRP-JKSUJKDBSA-N 2 1 341.540 3.532 20 0 EHADMP COC[C@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001180271086 1133352805 /nfs/dbraw/zinc/35/28/05/1133352805.db2.gz BKXHOENNRQSCDZ-UNMCSNQZSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001180271086 1133352811 /nfs/dbraw/zinc/35/28/11/1133352811.db2.gz BKXHOENNRQSCDZ-UNMCSNQZSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001180271086 1133352818 /nfs/dbraw/zinc/35/28/18/1133352818.db2.gz BKXHOENNRQSCDZ-UNMCSNQZSA-N 2 1 344.543 3.893 20 0 EHADMP CC1(C)CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001180310240 1133354555 /nfs/dbraw/zinc/35/45/55/1133354555.db2.gz BGFNNEVDOJFBCY-VQTJNVASSA-N 2 1 330.516 3.702 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482884 1133688191 /nfs/dbraw/zinc/68/81/91/1133688191.db2.gz FIHLTWSQMQWHSJ-NYVOZVTQSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482884 1133688195 /nfs/dbraw/zinc/68/81/95/1133688195.db2.gz FIHLTWSQMQWHSJ-NYVOZVTQSA-N 2 1 338.495 3.671 20 0 EHADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC001183686754 1133841219 /nfs/dbraw/zinc/84/12/19/1133841219.db2.gz SHMWZBHFOQHPBT-UHFFFAOYSA-N 2 1 327.516 3.885 20 0 EHADMP BrC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001184116029 1133899778 /nfs/dbraw/zinc/89/97/78/1133899778.db2.gz SZVZWVCZCCIABN-BBWFWOEESA-N 2 1 349.316 3.557 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001184300861 1133918818 /nfs/dbraw/zinc/91/88/18/1133918818.db2.gz DMAVUBGRKCLWPP-DHMYANTNSA-N 2 1 342.527 3.898 20 0 EHADMP Cc1cc(Br)cc(CN2CCC(n3ccnc3)CC2)c1 ZINC000774865902 1134077555 /nfs/dbraw/zinc/07/75/55/1134077555.db2.gz ZIHGTVOWZMVWII-UHFFFAOYSA-N 2 1 334.261 3.791 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC001186069753 1134164716 /nfs/dbraw/zinc/16/47/16/1134164716.db2.gz GNAINNYNHNHGRM-ZFWWWQNUSA-N 2 1 327.476 3.585 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC001186069753 1134164718 /nfs/dbraw/zinc/16/47/18/1134164718.db2.gz GNAINNYNHNHGRM-ZFWWWQNUSA-N 2 1 327.476 3.585 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000774982853 1134178723 /nfs/dbraw/zinc/17/87/23/1134178723.db2.gz FNAVEKLQRTXHOR-CQSZACIVSA-N 2 1 325.294 3.577 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)cn1 ZINC000788987987 1134201097 /nfs/dbraw/zinc/20/10/97/1134201097.db2.gz OQWMARBERDYDSC-CYBMUJFWSA-N 2 1 334.414 3.879 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001170134501 1134409563 /nfs/dbraw/zinc/40/95/63/1134409563.db2.gz BKDUFTUNRPJFJU-MJGOQNOKSA-N 2 1 327.516 3.947 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001170144496 1134468250 /nfs/dbraw/zinc/46/82/50/1134468250.db2.gz KJECYNAGMCZBPL-UYAOXDASSA-N 2 1 328.500 3.542 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[NH+]1CCC(C)CC1 ZINC000775370372 1134674410 /nfs/dbraw/zinc/67/44/10/1134674410.db2.gz URUWNDADHITSER-TVFCKZIOSA-N 2 1 342.618 3.712 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)ccc1OC ZINC000775393237 1134712369 /nfs/dbraw/zinc/71/23/69/1134712369.db2.gz FAZXRERJKWBTSV-QZTJIDSGSA-N 2 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)ccc1OC ZINC000775393237 1134712372 /nfs/dbraw/zinc/71/23/72/1134712372.db2.gz FAZXRERJKWBTSV-QZTJIDSGSA-N 2 1 347.547 3.529 20 0 EHADMP CC[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170234541 1134716674 /nfs/dbraw/zinc/71/66/74/1134716674.db2.gz ITRONZDTHBQABN-SFTDATJTSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238987 1134718416 /nfs/dbraw/zinc/71/84/16/1134718416.db2.gz LPPHBSVZHQMFLX-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238987 1134718422 /nfs/dbraw/zinc/71/84/22/1134718422.db2.gz LPPHBSVZHQMFLX-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP CC(C)C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)c1ccc(F)cc1 ZINC001191085786 1134799745 /nfs/dbraw/zinc/79/97/45/1134799745.db2.gz RPVZGFZRFPPMEC-FQEVSTJZSA-N 2 1 336.495 3.693 20 0 EHADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259775 1134826240 /nfs/dbraw/zinc/82/62/40/1134826240.db2.gz XMXRHAHZUYOSSP-PBHICJAKSA-N 2 1 345.314 3.833 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259775 1134826249 /nfs/dbraw/zinc/82/62/49/1134826249.db2.gz XMXRHAHZUYOSSP-PBHICJAKSA-N 2 1 345.314 3.833 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259775 1134826257 /nfs/dbraw/zinc/82/62/57/1134826257.db2.gz XMXRHAHZUYOSSP-PBHICJAKSA-N 2 1 345.314 3.833 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259775 1134826267 /nfs/dbraw/zinc/82/62/67/1134826267.db2.gz XMXRHAHZUYOSSP-PBHICJAKSA-N 2 1 345.314 3.833 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259775 1134826279 /nfs/dbraw/zinc/82/62/79/1134826279.db2.gz XMXRHAHZUYOSSP-PBHICJAKSA-N 2 1 345.314 3.833 20 0 EHADMP Cc1ncsc1CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001191234171 1134832345 /nfs/dbraw/zinc/83/23/45/1134832345.db2.gz SHTSXWOQUMGYBF-IBGZPJMESA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ncsc1CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191234171 1134832349 /nfs/dbraw/zinc/83/23/49/1134832349.db2.gz SHTSXWOQUMGYBF-IBGZPJMESA-N 2 1 343.540 3.838 20 0 EHADMP Cc1ncsc1CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191234171 1134832354 /nfs/dbraw/zinc/83/23/54/1134832354.db2.gz SHTSXWOQUMGYBF-IBGZPJMESA-N 2 1 343.540 3.838 20 0 EHADMP C[C@@]1(COC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000793161159 1134857735 /nfs/dbraw/zinc/85/77/35/1134857735.db2.gz IUJHDVCSSOESGU-NRFANRHFSA-N 2 1 349.434 3.546 20 0 EHADMP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000793538282 1134951023 /nfs/dbraw/zinc/95/10/23/1134951023.db2.gz BKBPYRPNNYXKCI-FGZHOGPDSA-N 2 1 342.527 3.549 20 0 EHADMP CCOC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716692369 1134990280 /nfs/dbraw/zinc/99/02/80/1134990280.db2.gz LKCBSFFIUUGHLG-JSXRDJHFSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001192674176 1135044600 /nfs/dbraw/zinc/04/46/00/1135044600.db2.gz XPSGJZSGYJNYHS-FGZHOGPDSA-N 2 1 340.511 3.651 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001192674176 1135044604 /nfs/dbraw/zinc/04/46/04/1135044604.db2.gz XPSGJZSGYJNYHS-FGZHOGPDSA-N 2 1 340.511 3.651 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC001205665409 1135276307 /nfs/dbraw/zinc/27/63/07/1135276307.db2.gz RCFRSZOZIPZQRH-UWVGGRQHSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC001205665409 1135276309 /nfs/dbraw/zinc/27/63/09/1135276309.db2.gz RCFRSZOZIPZQRH-UWVGGRQHSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC001205665411 1135276554 /nfs/dbraw/zinc/27/65/54/1135276554.db2.gz RCFRSZOZIPZQRH-VHSXEESVSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC001205665411 1135276559 /nfs/dbraw/zinc/27/65/59/1135276559.db2.gz RCFRSZOZIPZQRH-VHSXEESVSA-N 2 1 336.694 3.849 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC001194626242 1135292339 /nfs/dbraw/zinc/29/23/39/1135292339.db2.gz PICARSPGPJXJJB-SIKLNZKXSA-N 2 1 340.511 3.951 20 0 EHADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000806129065 1135395502 /nfs/dbraw/zinc/39/55/02/1135395502.db2.gz RZKPFOGORREZRK-SFHVURJKSA-N 2 1 341.886 3.977 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196936754 1135631669 /nfs/dbraw/zinc/63/16/69/1135631669.db2.gz ULYKZRSLNMAYMB-OAQYLSRUSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196936754 1135631673 /nfs/dbraw/zinc/63/16/73/1135631673.db2.gz ULYKZRSLNMAYMB-OAQYLSRUSA-N 2 1 343.515 3.731 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001196943388 1135632202 /nfs/dbraw/zinc/63/22/02/1135632202.db2.gz LNGTXRNAUGHJFB-NHCUHLMSSA-N 2 1 348.506 3.620 20 0 EHADMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001197377152 1135687345 /nfs/dbraw/zinc/68/73/45/1135687345.db2.gz KINMUEAOQDHJKK-WOMSROEHSA-N 2 1 327.859 3.959 20 0 EHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001199336421 1135895745 /nfs/dbraw/zinc/89/57/45/1135895745.db2.gz OCUCFNWCNLNMLV-MRXNPFEDSA-N 2 1 334.552 3.857 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)nc1 ZINC001199335942 1135899053 /nfs/dbraw/zinc/89/90/53/1135899053.db2.gz DZBDIBIITJMOBY-CQSZACIVSA-N 2 1 340.309 3.588 20 0 EHADMP c1[nH]nc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC001199850411 1135931891 /nfs/dbraw/zinc/93/18/91/1135931891.db2.gz FSHBAPAVDZLOMI-IBGZPJMESA-N 2 1 334.467 3.565 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259066 1135943803 /nfs/dbraw/zinc/94/38/03/1135943803.db2.gz AJNMRGNONKGNPT-UYAOXDASSA-N 2 1 340.515 3.681 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259066 1135943806 /nfs/dbraw/zinc/94/38/06/1135943806.db2.gz AJNMRGNONKGNPT-UYAOXDASSA-N 2 1 340.515 3.681 20 0 EHADMP COc1cccc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)oc21 ZINC001200924018 1135966317 /nfs/dbraw/zinc/96/63/17/1135966317.db2.gz YEKLIHOQTJPNJQ-UHFFFAOYSA-N 2 1 328.456 3.938 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810698347 1135998110 /nfs/dbraw/zinc/99/81/10/1135998110.db2.gz ZYSFFBXXDBLGPQ-HXUWFJFHSA-N 2 1 349.494 3.679 20 0 EHADMP CC(C)CC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201617383 1136047560 /nfs/dbraw/zinc/04/75/60/1136047560.db2.gz JCTBXKIIYZODFY-FQEVSTJZSA-N 2 1 330.516 3.788 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000850524389 1136277271 /nfs/dbraw/zinc/27/72/71/1136277271.db2.gz XLHRCOYSCWSCFL-GPJFCIFZSA-N 2 1 328.500 3.731 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528888 1136279571 /nfs/dbraw/zinc/27/95/71/1136279571.db2.gz NUBIXVBHAVJOFU-ZWMFTONKSA-N 2 1 348.490 3.950 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528888 1136279574 /nfs/dbraw/zinc/27/95/74/1136279574.db2.gz NUBIXVBHAVJOFU-ZWMFTONKSA-N 2 1 348.490 3.950 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1SCCS1 ZINC000850569419 1136288312 /nfs/dbraw/zinc/28/83/12/1136288312.db2.gz CZWGCSJRUGCAKN-RDJZCZTQSA-N 2 1 336.570 3.683 20 0 EHADMP CCn1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000813790120 1136362960 /nfs/dbraw/zinc/36/29/60/1136362960.db2.gz IQRYUVGRAVSFBG-SEJPIABJSA-N 2 1 338.499 3.578 20 0 EHADMP CCn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000813790120 1136362966 /nfs/dbraw/zinc/36/29/66/1136362966.db2.gz IQRYUVGRAVSFBG-SEJPIABJSA-N 2 1 338.499 3.578 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000813860176 1136367806 /nfs/dbraw/zinc/36/78/06/1136367806.db2.gz FVWLZSSASSMACD-IRFCIJBXSA-N 2 1 328.500 3.679 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000813860176 1136367810 /nfs/dbraw/zinc/36/78/10/1136367810.db2.gz FVWLZSSASSMACD-IRFCIJBXSA-N 2 1 328.500 3.679 20 0 EHADMP Cc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000338939537 1136391159 /nfs/dbraw/zinc/39/11/59/1136391159.db2.gz GDVBRSURRCVCSW-GASCZTMLSA-N 2 1 336.545 3.686 20 0 EHADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc(=O)oc2c1C ZINC000852760058 1136483981 /nfs/dbraw/zinc/48/39/81/1136483981.db2.gz VCHWRXHAZGMUDZ-DNVCBOLYSA-N 2 1 342.483 3.749 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCCCF)C2)ccn1 ZINC000856603920 1136797945 /nfs/dbraw/zinc/79/79/45/1136797945.db2.gz HENLTMDNNUGERP-IBGZPJMESA-N 2 1 337.483 3.515 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCCCF)C2)ccn1 ZINC000856603920 1136797947 /nfs/dbraw/zinc/79/79/47/1136797947.db2.gz HENLTMDNNUGERP-IBGZPJMESA-N 2 1 337.483 3.515 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCCCF)C2)ccn1 ZINC000856603920 1136797950 /nfs/dbraw/zinc/79/79/50/1136797950.db2.gz HENLTMDNNUGERP-IBGZPJMESA-N 2 1 337.483 3.515 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(C)nc3Cl)c2)CC1 ZINC000856769331 1136808948 /nfs/dbraw/zinc/80/89/48/1136808948.db2.gz LMTWQBHICFEUHD-UHFFFAOYSA-N 2 1 346.906 3.595 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000817897658 1136843930 /nfs/dbraw/zinc/84/39/30/1136843930.db2.gz UZCXACQSRJFFAQ-FDFHNCONSA-N 3 1 347.591 3.932 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000817896984 1136843954 /nfs/dbraw/zinc/84/39/54/1136843954.db2.gz AWJHFQMJXCDSSC-NJDAHSKKSA-N 3 1 333.564 3.541 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](O)c1c(F)cccc1F ZINC000817916734 1136845606 /nfs/dbraw/zinc/84/56/06/1136845606.db2.gz BECYFHFESMKZAM-SFNKJDCFSA-N 2 1 332.394 3.511 20 0 EHADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000817922866 1136846285 /nfs/dbraw/zinc/84/62/85/1136846285.db2.gz NKNDXZKCKFRHMX-WJFTUGDTSA-N 2 1 330.520 3.742 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000818959943 1136891522 /nfs/dbraw/zinc/89/15/22/1136891522.db2.gz BCULEAXXVODOJN-FCEWJHQRSA-N 2 1 338.923 3.721 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000818987685 1136897337 /nfs/dbraw/zinc/89/73/37/1136897337.db2.gz HKKHRRWCYCUHFL-FXAWDEMLSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000818987685 1136897341 /nfs/dbraw/zinc/89/73/41/1136897341.db2.gz HKKHRRWCYCUHFL-FXAWDEMLSA-N 2 1 344.524 3.592 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)[C@@H]1c1cccs1 ZINC000819101404 1136908961 /nfs/dbraw/zinc/90/89/61/1136908961.db2.gz SWNCLKQAZIEXBX-SZVBFZGTSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)[C@@H]1c1cccs1 ZINC000819101404 1136908964 /nfs/dbraw/zinc/90/89/64/1136908964.db2.gz SWNCLKQAZIEXBX-SZVBFZGTSA-N 2 1 348.487 3.593 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC000858098513 1136939628 /nfs/dbraw/zinc/93/96/28/1136939628.db2.gz OKQNGAVNDDLOPZ-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC000858098513 1136939630 /nfs/dbraw/zinc/93/96/30/1136939630.db2.gz OKQNGAVNDDLOPZ-MRXNPFEDSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H](O)CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170938413 1136961451 /nfs/dbraw/zinc/96/14/51/1136961451.db2.gz IZNRMXSSPHCIQJ-DENIHFKCSA-N 2 1 344.543 3.914 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490204 1136972461 /nfs/dbraw/zinc/97/24/61/1136972461.db2.gz CVKXEJSTEWWDNW-VXGBXAGGSA-N 2 1 330.303 3.958 20 0 EHADMP C[N@H+]1CCC[C@@H](CNC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000820810387 1137005043 /nfs/dbraw/zinc/00/50/43/1137005043.db2.gz WDVNLDHBDOIGRD-MJLAPFRSSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000820810387 1137005045 /nfs/dbraw/zinc/00/50/45/1137005045.db2.gz WDVNLDHBDOIGRD-MJLAPFRSSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000820810387 1137005046 /nfs/dbraw/zinc/00/50/46/1137005046.db2.gz WDVNLDHBDOIGRD-MJLAPFRSSA-N 2 1 341.543 3.504 20 0 EHADMP ClC1(Cl)C[C@H]1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000822985013 1137082291 /nfs/dbraw/zinc/08/22/91/1137082291.db2.gz DAGGBYCGGICVFM-CQSZACIVSA-N 2 1 342.314 3.983 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037375 1137122525 /nfs/dbraw/zinc/12/25/25/1137122525.db2.gz LNQOOPBEALPNKM-NVXWUHKLSA-N 2 1 345.437 3.750 20 0 EHADMP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000824428575 1137137360 /nfs/dbraw/zinc/13/73/60/1137137360.db2.gz TXQLAKNXOLBCOC-VNVJMFPYSA-N 2 1 330.541 3.913 20 0 EHADMP Cc1c(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862373647 1137141313 /nfs/dbraw/zinc/14/13/13/1137141313.db2.gz VAAUHRKRRPDCNB-LJQANCHMSA-N 2 1 341.474 3.921 20 0 EHADMP Cc1c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862373647 1137141315 /nfs/dbraw/zinc/14/13/15/1137141315.db2.gz VAAUHRKRRPDCNB-LJQANCHMSA-N 2 1 341.474 3.921 20 0 EHADMP Cc1c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862373647 1137141317 /nfs/dbraw/zinc/14/13/17/1137141317.db2.gz VAAUHRKRRPDCNB-LJQANCHMSA-N 2 1 341.474 3.921 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171063691 1137150295 /nfs/dbraw/zinc/15/02/95/1137150295.db2.gz OQAZSXPNRKXMNN-SWLSCSKDSA-N 2 1 327.299 3.782 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)cc1 ZINC000863690130 1137199542 /nfs/dbraw/zinc/19/95/42/1137199542.db2.gz LDLRXDOQABKTCT-XGRCMKMKSA-N 2 1 336.479 3.733 20 0 EHADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)c(Cl)c3)C[C@@H]2C1 ZINC001143805945 1137201020 /nfs/dbraw/zinc/20/10/20/1137201020.db2.gz SKBMLONKTLGZJF-OLZOCXBDSA-N 2 1 332.797 3.742 20 0 EHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(Cl)c3)C[C@@H]2C1 ZINC001143805945 1137201021 /nfs/dbraw/zinc/20/10/21/1137201021.db2.gz SKBMLONKTLGZJF-OLZOCXBDSA-N 2 1 332.797 3.742 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(Cl)c3)C[C@@H]2C1 ZINC001143805945 1137201023 /nfs/dbraw/zinc/20/10/23/1137201023.db2.gz SKBMLONKTLGZJF-OLZOCXBDSA-N 2 1 332.797 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)c(Cl)c3)C[C@@H]2C1 ZINC001143805945 1137201024 /nfs/dbraw/zinc/20/10/24/1137201024.db2.gz SKBMLONKTLGZJF-OLZOCXBDSA-N 2 1 332.797 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)c(Cl)c3)C[C@@H]2C1 ZINC001143805945 1137201025 /nfs/dbraw/zinc/20/10/25/1137201025.db2.gz SKBMLONKTLGZJF-OLZOCXBDSA-N 2 1 332.797 3.742 20 0 EHADMP C[NH+]1CCC2(C[NH+](Cc3ccc(C(F)(F)F)c(Cl)c3)C2)CC1 ZINC001143810997 1137202473 /nfs/dbraw/zinc/20/24/73/1137202473.db2.gz BPBHNULHTOXVDK-UHFFFAOYSA-N 2 1 332.797 3.886 20 0 EHADMP CCc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000844222541 1137203558 /nfs/dbraw/zinc/20/35/58/1137203558.db2.gz FQVVHVJJJSYKRY-UHFFFAOYSA-N 2 1 341.524 3.948 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066018 1137216761 /nfs/dbraw/zinc/21/67/61/1137216761.db2.gz DQGNEXMEGZNHQC-SZMVWBNQSA-N 2 1 334.529 3.703 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCCS3)CC2)cc1 ZINC000865725264 1137307105 /nfs/dbraw/zinc/30/71/05/1137307105.db2.gz GOMZKZYIBOLKKS-IBGZPJMESA-N 2 1 336.520 3.708 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000846218304 1137342219 /nfs/dbraw/zinc/34/22/19/1137342219.db2.gz PYOKVZATTLNOJY-KRWDZBQOSA-N 2 1 328.460 3.783 20 0 EHADMP CCC[N@@H+](CCCCCC[NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000846217390 1137342232 /nfs/dbraw/zinc/34/22/32/1137342232.db2.gz AGNLMUMREZYCQX-UHFFFAOYSA-N 2 1 345.531 3.522 20 0 EHADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000866373640 1137350483 /nfs/dbraw/zinc/35/04/83/1137350483.db2.gz OTYYTQYFOUBKFC-ZWKOTPCHSA-N 2 1 325.500 3.877 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CCSC2)C3)cc1 ZINC000866403397 1137352229 /nfs/dbraw/zinc/35/22/29/1137352229.db2.gz SQEQUDXQIDVXBR-WTGUMLROSA-N 2 1 330.541 3.915 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866413800 1137352699 /nfs/dbraw/zinc/35/26/99/1137352699.db2.gz WPAUEESXPVOBTP-WOIUINJBSA-N 2 1 337.511 3.760 20 0 EHADMP C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866513036 1137360523 /nfs/dbraw/zinc/36/05/23/1137360523.db2.gz RKMSYFPDPGFVIU-GUGJDKNPSA-N 2 1 342.527 3.692 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)oc21 ZINC000772955190 1137367622 /nfs/dbraw/zinc/36/76/22/1137367622.db2.gz FVJFMQUVJNPEBA-MRXNPFEDSA-N 2 1 330.472 3.899 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)oc21 ZINC000772955190 1137367625 /nfs/dbraw/zinc/36/76/25/1137367625.db2.gz FVJFMQUVJNPEBA-MRXNPFEDSA-N 2 1 330.472 3.899 20 0 EHADMP Clc1cncc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000866668292 1137373126 /nfs/dbraw/zinc/37/31/26/1137373126.db2.gz BIECXMIZQIFBCL-CYBMUJFWSA-N 2 1 328.287 3.600 20 0 EHADMP CC(C)[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246774088 1137387028 /nfs/dbraw/zinc/38/70/28/1137387028.db2.gz BRDJYVWKVYSPIT-HZPDHXFCSA-N 2 1 325.294 3.658 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705784 1137374961 /nfs/dbraw/zinc/37/49/61/1137374961.db2.gz BEFMIHSZWQVWCT-GOSISDBHSA-N 2 1 333.501 3.908 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705784 1137374962 /nfs/dbraw/zinc/37/49/62/1137374962.db2.gz BEFMIHSZWQVWCT-GOSISDBHSA-N 2 1 333.501 3.908 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000773106744 1137465597 /nfs/dbraw/zinc/46/55/97/1137465597.db2.gz YSRNDDCHSGFKLX-JYRKZWEQSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000715237190 1137476277 /nfs/dbraw/zinc/47/62/77/1137476277.db2.gz VAVWEUNRRTUVBW-GRTSPXDGSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000715237190 1137476278 /nfs/dbraw/zinc/47/62/78/1137476278.db2.gz VAVWEUNRRTUVBW-GRTSPXDGSA-N 2 1 343.559 3.750 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625765 1137487850 /nfs/dbraw/zinc/48/78/50/1137487850.db2.gz MUYCLMYVALIOES-KGWSWXIGSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716625765 1137487851 /nfs/dbraw/zinc/48/78/51/1137487851.db2.gz MUYCLMYVALIOES-KGWSWXIGSA-N 3 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625765 1137487852 /nfs/dbraw/zinc/48/78/52/1137487852.db2.gz MUYCLMYVALIOES-KGWSWXIGSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657158 1137487874 /nfs/dbraw/zinc/48/78/74/1137487874.db2.gz SXOKAGNCPLERKT-SPUZQDLCSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccns1 ZINC000716657158 1137487875 /nfs/dbraw/zinc/48/78/75/1137487875.db2.gz SXOKAGNCPLERKT-SPUZQDLCSA-N 2 1 327.497 3.847 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cs1 ZINC000716702688 1137488496 /nfs/dbraw/zinc/48/84/96/1137488496.db2.gz UWEWSJJDMYEJFS-IHPCNDPISA-N 2 1 341.524 3.637 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716729011 1137488727 /nfs/dbraw/zinc/48/87/27/1137488727.db2.gz RGZGVMUHELQWRY-ZCNNSNEGSA-N 2 1 330.516 3.834 20 0 EHADMP CC(=O)Oc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000123185409 1137497452 /nfs/dbraw/zinc/49/74/52/1137497452.db2.gz CCWFGMMHGLWHLV-FXAWDEMLSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000123185409 1137497454 /nfs/dbraw/zinc/49/74/54/1137497454.db2.gz CCWFGMMHGLWHLV-FXAWDEMLSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000123185409 1137497455 /nfs/dbraw/zinc/49/74/55/1137497455.db2.gz CCWFGMMHGLWHLV-FXAWDEMLSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000123185409 1137497457 /nfs/dbraw/zinc/49/74/57/1137497457.db2.gz CCWFGMMHGLWHLV-FXAWDEMLSA-N 2 1 344.499 3.698 20 0 EHADMP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000123185409 1137497459 /nfs/dbraw/zinc/49/74/59/1137497459.db2.gz CCWFGMMHGLWHLV-FXAWDEMLSA-N 2 1 344.499 3.698 20 0 EHADMP COc1ccc(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1OC ZINC001171635979 1137504092 /nfs/dbraw/zinc/50/40/92/1137504092.db2.gz BJWKKILMBXEGEF-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP COc1ccc(C[N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1OC ZINC001171635979 1137504094 /nfs/dbraw/zinc/50/40/94/1137504094.db2.gz BJWKKILMBXEGEF-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP COc1ccc(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c(OC)c1 ZINC001171639483 1137504831 /nfs/dbraw/zinc/50/48/31/1137504831.db2.gz LWHQGUOQMPSAGK-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP COc1ccc(C[N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c(OC)c1 ZINC001171639483 1137504832 /nfs/dbraw/zinc/50/48/32/1137504832.db2.gz LWHQGUOQMPSAGK-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642448 1137504956 /nfs/dbraw/zinc/50/49/56/1137504956.db2.gz KCMWXDLBLQWXPC-UHFFFAOYSA-N 2 1 340.515 3.956 20 0 EHADMP C[C@@H]1C[C@H](N2C(C)(C)CC([NH3+])CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001171725435 1137506399 /nfs/dbraw/zinc/50/63/99/1137506399.db2.gz LXKOCEIEJUSKHZ-APWZRJJASA-N 2 1 329.532 3.630 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732488 1137507071 /nfs/dbraw/zinc/50/70/71/1137507071.db2.gz BBCONVFNFHQVSF-XMSQKQJNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CN1Cc1ccccc1 ZINC001171732488 1137507073 /nfs/dbraw/zinc/50/70/73/1137507073.db2.gz BBCONVFNFHQVSF-XMSQKQJNSA-N 2 1 341.543 3.504 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171773952 1137509947 /nfs/dbraw/zinc/50/99/47/1137509947.db2.gz RVLXMJNWOHCWGC-ICSRJNTNSA-N 2 1 338.470 3.795 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963886 1137519831 /nfs/dbraw/zinc/51/98/31/1137519831.db2.gz FQSCCCWATNNAMT-SFTDATJTSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963886 1137519833 /nfs/dbraw/zinc/51/98/33/1137519833.db2.gz FQSCCCWATNNAMT-SFTDATJTSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963886 1137519834 /nfs/dbraw/zinc/51/98/34/1137519834.db2.gz FQSCCCWATNNAMT-SFTDATJTSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963886 1137519835 /nfs/dbraw/zinc/51/98/35/1137519835.db2.gz FQSCCCWATNNAMT-SFTDATJTSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171963886 1137519836 /nfs/dbraw/zinc/51/98/36/1137519836.db2.gz FQSCCCWATNNAMT-SFTDATJTSA-N 2 1 343.559 3.751 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171965056 1137520376 /nfs/dbraw/zinc/52/03/76/1137520376.db2.gz NTYXZDMCMHDURU-ZJOUEHCJSA-N 2 1 330.516 3.713 20 0 EHADMP CO[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989849 1137522611 /nfs/dbraw/zinc/52/26/11/1137522611.db2.gz HWZVVYGZCAQEIH-DFQSSKMNSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989849 1137522612 /nfs/dbraw/zinc/52/26/12/1137522612.db2.gz HWZVVYGZCAQEIH-DFQSSKMNSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989849 1137522613 /nfs/dbraw/zinc/52/26/13/1137522613.db2.gz HWZVVYGZCAQEIH-DFQSSKMNSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989849 1137522614 /nfs/dbraw/zinc/52/26/14/1137522614.db2.gz HWZVVYGZCAQEIH-DFQSSKMNSA-N 2 1 330.516 3.929 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972515 1137524017 /nfs/dbraw/zinc/52/40/17/1137524017.db2.gz QPQMXRWCDCZYPG-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972515 1137524019 /nfs/dbraw/zinc/52/40/19/1137524019.db2.gz QPQMXRWCDCZYPG-IBGZPJMESA-N 2 1 339.483 3.623 20 0 EHADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975503 1137524805 /nfs/dbraw/zinc/52/48/05/1137524805.db2.gz DPVBYUGADSEVSM-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975503 1137524807 /nfs/dbraw/zinc/52/48/07/1137524807.db2.gz DPVBYUGADSEVSM-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975503 1137524809 /nfs/dbraw/zinc/52/48/09/1137524809.db2.gz DPVBYUGADSEVSM-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@@H]1O ZINC001171975503 1137524811 /nfs/dbraw/zinc/52/48/11/1137524811.db2.gz DPVBYUGADSEVSM-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171975749 1137525386 /nfs/dbraw/zinc/52/53/86/1137525386.db2.gz FHKJMFLPMKEOII-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171975749 1137525387 /nfs/dbraw/zinc/52/53/87/1137525387.db2.gz FHKJMFLPMKEOII-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171975749 1137525388 /nfs/dbraw/zinc/52/53/88/1137525388.db2.gz FHKJMFLPMKEOII-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977925 1137525807 /nfs/dbraw/zinc/52/58/07/1137525807.db2.gz UZUIWBUVWUKAMV-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977925 1137525809 /nfs/dbraw/zinc/52/58/09/1137525809.db2.gz UZUIWBUVWUKAMV-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977925 1137525811 /nfs/dbraw/zinc/52/58/11/1137525811.db2.gz UZUIWBUVWUKAMV-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977925 1137525812 /nfs/dbraw/zinc/52/58/12/1137525812.db2.gz UZUIWBUVWUKAMV-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977385 1137526104 /nfs/dbraw/zinc/52/61/04/1137526104.db2.gz FHNSNSXVWSCOFR-IBGZPJMESA-N 2 1 330.516 3.714 20 0 EHADMP CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171980192 1137526566 /nfs/dbraw/zinc/52/65/66/1137526566.db2.gz SSPFYKIPBICGPZ-LJQANCHMSA-N 2 1 330.516 3.978 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171980064 1137526687 /nfs/dbraw/zinc/52/66/87/1137526687.db2.gz SEMYCDMMELKXNK-SBHAEUEKSA-N 2 1 328.500 3.588 20 0 EHADMP CO[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172076585 1137530268 /nfs/dbraw/zinc/53/02/68/1137530268.db2.gz GENKKBKDUYNAOV-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172076585 1137530270 /nfs/dbraw/zinc/53/02/70/1137530270.db2.gz GENKKBKDUYNAOV-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172076585 1137530271 /nfs/dbraw/zinc/53/02/71/1137530271.db2.gz GENKKBKDUYNAOV-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076585 1137530273 /nfs/dbraw/zinc/53/02/73/1137530273.db2.gz GENKKBKDUYNAOV-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP COC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172079742 1137530987 /nfs/dbraw/zinc/53/09/87/1137530987.db2.gz QLEQUKYYFOBRNG-ACDBMABISA-N 2 1 328.500 3.683 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084599 1137531614 /nfs/dbraw/zinc/53/16/14/1137531614.db2.gz YZQIYSPROWWBSF-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084599 1137531616 /nfs/dbraw/zinc/53/16/16/1137531616.db2.gz YZQIYSPROWWBSF-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084599 1137531618 /nfs/dbraw/zinc/53/16/18/1137531618.db2.gz YZQIYSPROWWBSF-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084599 1137531619 /nfs/dbraw/zinc/53/16/19/1137531619.db2.gz YZQIYSPROWWBSF-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068125 1137534005 /nfs/dbraw/zinc/53/40/05/1137534005.db2.gz HNOKUSNHMVFXEO-LRSLUSHPSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068125 1137534006 /nfs/dbraw/zinc/53/40/06/1137534006.db2.gz HNOKUSNHMVFXEO-LRSLUSHPSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068125 1137534007 /nfs/dbraw/zinc/53/40/07/1137534007.db2.gz HNOKUSNHMVFXEO-LRSLUSHPSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@]4(CCOC4)C2)C3)cc1 ZINC001172068125 1137534008 /nfs/dbraw/zinc/53/40/08/1137534008.db2.gz HNOKUSNHMVFXEO-LRSLUSHPSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068122 1137534297 /nfs/dbraw/zinc/53/42/97/1137534297.db2.gz HNOKUSNHMVFXEO-CIAFKFPVSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068122 1137534298 /nfs/dbraw/zinc/53/42/98/1137534298.db2.gz HNOKUSNHMVFXEO-CIAFKFPVSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068122 1137534299 /nfs/dbraw/zinc/53/42/99/1137534299.db2.gz HNOKUSNHMVFXEO-CIAFKFPVSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068122 1137534300 /nfs/dbraw/zinc/53/43/00/1137534300.db2.gz HNOKUSNHMVFXEO-CIAFKFPVSA-N 2 1 340.511 3.685 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccccc1Br)C2 ZINC001172102234 1137536551 /nfs/dbraw/zinc/53/65/51/1137536551.db2.gz LBYJSVCFWNRBKY-PHZGNYQRSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001172107007 1137536899 /nfs/dbraw/zinc/53/68/99/1137536899.db2.gz RYKNFSARGIOCMT-QDMKHBRRSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001172107007 1137536901 /nfs/dbraw/zinc/53/69/01/1137536901.db2.gz RYKNFSARGIOCMT-QDMKHBRRSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112095 1137537860 /nfs/dbraw/zinc/53/78/60/1137537860.db2.gz SYNRIQHYXGZDTJ-PLACYPQZSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC001172112095 1137537862 /nfs/dbraw/zinc/53/78/62/1137537862.db2.gz SYNRIQHYXGZDTJ-PLACYPQZSA-N 2 1 328.500 3.759 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172121165 1137538028 /nfs/dbraw/zinc/53/80/28/1137538028.db2.gz IMBRVLOZFPQTRB-RCLSDMTESA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172121165 1137538030 /nfs/dbraw/zinc/53/80/30/1137538030.db2.gz IMBRVLOZFPQTRB-RCLSDMTESA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121165 1137538032 /nfs/dbraw/zinc/53/80/32/1137538032.db2.gz IMBRVLOZFPQTRB-RCLSDMTESA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121165 1137538034 /nfs/dbraw/zinc/53/80/34/1137538034.db2.gz IMBRVLOZFPQTRB-RCLSDMTESA-N 2 1 328.500 3.854 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220654 1137542002 /nfs/dbraw/zinc/54/20/02/1137542002.db2.gz HZAJOZJDHZOELO-NXEWRWPSSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220654 1137542004 /nfs/dbraw/zinc/54/20/04/1137542004.db2.gz HZAJOZJDHZOELO-NXEWRWPSSA-N 2 1 328.500 3.587 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172194588 1137543184 /nfs/dbraw/zinc/54/31/84/1137543184.db2.gz UHSCUZRYKWSZIX-FQEVSTJZSA-N 2 1 338.520 3.958 20 0 EHADMP COCCC[NH+]1CCC([N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC001172254470 1137544687 /nfs/dbraw/zinc/54/46/87/1137544687.db2.gz NHXSWILTJNPREW-UHFFFAOYSA-N 2 1 326.484 3.773 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC001172254470 1137544688 /nfs/dbraw/zinc/54/46/88/1137544688.db2.gz NHXSWILTJNPREW-UHFFFAOYSA-N 2 1 326.484 3.773 20 0 EHADMP COCCC[NH+]1CCC([N@H+](Cc2cccc(C)c2C)C2CC2)CC1 ZINC001172256866 1137545211 /nfs/dbraw/zinc/54/52/11/1137545211.db2.gz HKYSXNLBXKTBPE-UHFFFAOYSA-N 2 1 330.516 3.769 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](Cc2cccc(C)c2C)C2CC2)CC1 ZINC001172256866 1137545212 /nfs/dbraw/zinc/54/52/12/1137545212.db2.gz HKYSXNLBXKTBPE-UHFFFAOYSA-N 2 1 330.516 3.769 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CO1 ZINC001172293508 1137548319 /nfs/dbraw/zinc/54/83/19/1137548319.db2.gz QSBZCSNTLPBMQM-FQEVSTJZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CO1 ZINC001172293511 1137548472 /nfs/dbraw/zinc/54/84/72/1137548472.db2.gz QSBZCSNTLPBMQM-HXUWFJFHSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336233 1137551591 /nfs/dbraw/zinc/55/15/91/1137551591.db2.gz SCSVEUZYDIDBEV-HNJRGHQBSA-N 2 1 333.520 3.747 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001172418932 1137556255 /nfs/dbraw/zinc/55/62/55/1137556255.db2.gz FUBORPMUKZXXCX-QGZVFWFLSA-N 2 1 336.545 3.851 20 0 EHADMP CC[C@H](OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000871784807 1137558053 /nfs/dbraw/zinc/55/80/53/1137558053.db2.gz MHMKFVFXSRTOHV-IPQPSQTFSA-N 2 1 345.487 3.526 20 0 EHADMP CC[C@H](OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000871784807 1137558054 /nfs/dbraw/zinc/55/80/54/1137558054.db2.gz MHMKFVFXSRTOHV-IPQPSQTFSA-N 2 1 345.487 3.526 20 0 EHADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000825583689 1137570973 /nfs/dbraw/zinc/57/09/73/1137570973.db2.gz RIHRPSCOLNRHNJ-SFHVURJKSA-N 2 1 325.456 3.599 20 0 EHADMP COCC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000872104643 1137571240 /nfs/dbraw/zinc/57/12/40/1137571240.db2.gz LOMOEFLOKOVYCO-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP COCC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000872104643 1137571241 /nfs/dbraw/zinc/57/12/41/1137571241.db2.gz LOMOEFLOKOVYCO-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC23CC3)cc1 ZINC000872105761 1137571312 /nfs/dbraw/zinc/57/13/12/1137571312.db2.gz BKFCVUOEDPZODP-XSDIEEQYSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC23CC3)cc1 ZINC000872105761 1137571313 /nfs/dbraw/zinc/57/13/13/1137571313.db2.gz BKFCVUOEDPZODP-XSDIEEQYSA-N 2 1 340.511 3.731 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1 ZINC000872110589 1137571825 /nfs/dbraw/zinc/57/18/25/1137571825.db2.gz ZWUZHNSELDEWCR-KTGNWYGMSA-N 2 1 325.456 3.789 20 0 EHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1)C1CCCC1 ZINC000872158004 1137574260 /nfs/dbraw/zinc/57/42/60/1137574260.db2.gz RGKKDSHGLQEJOQ-TZMCWYRMSA-N 2 1 327.925 3.916 20 0 EHADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158137 1137574272 /nfs/dbraw/zinc/57/42/72/1137574272.db2.gz XBHNXVIAYLADJP-HKUYNNGSSA-N 2 1 343.515 3.553 20 0 EHADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231574 1137594492 /nfs/dbraw/zinc/59/44/92/1137594492.db2.gz PBDKPEQQLJLIQY-RHSMWYFYSA-N 2 1 338.927 3.502 20 0 EHADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231741 1137594537 /nfs/dbraw/zinc/59/45/37/1137594537.db2.gz CZJRNUXLRBUSFK-FXAWDEMLSA-N 2 1 332.536 3.892 20 0 EHADMP CCC[C@@H](CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)OC ZINC000876866115 1137664237 /nfs/dbraw/zinc/66/42/37/1137664237.db2.gz OOFUAXAGPFAOFZ-FQEVSTJZSA-N 2 1 333.520 3.692 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000876890968 1137664662 /nfs/dbraw/zinc/66/46/62/1137664662.db2.gz MXSYGUOVZLLCEV-BAGYTPMASA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000876890968 1137664663 /nfs/dbraw/zinc/66/46/63/1137664663.db2.gz MXSYGUOVZLLCEV-BAGYTPMASA-N 2 1 336.479 3.678 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000876959178 1137666238 /nfs/dbraw/zinc/66/62/38/1137666238.db2.gz PKKUCTRSYBSAPU-SVQXRNPESA-N 2 1 332.469 3.810 20 0 EHADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988426 1137666988 /nfs/dbraw/zinc/66/69/88/1137666988.db2.gz FYQYHTPBQCHIFY-STQMWFEESA-N 2 1 333.328 3.744 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877087946 1137670073 /nfs/dbraw/zinc/67/00/73/1137670073.db2.gz XQILFBNMRBGMBN-RRMPHLOHSA-N 2 1 338.499 3.607 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877087946 1137670074 /nfs/dbraw/zinc/67/00/74/1137670074.db2.gz XQILFBNMRBGMBN-RRMPHLOHSA-N 2 1 338.499 3.607 20 0 EHADMP C[NH+](C)C1CCN(c2ccc([NH2+]CC3CCSCC3)cc2)CC1 ZINC000877130824 1137671011 /nfs/dbraw/zinc/67/10/11/1137671011.db2.gz OLOCOYSTPMFKGH-UHFFFAOYSA-N 2 1 333.545 3.772 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529939 1137679918 /nfs/dbraw/zinc/67/99/18/1137679918.db2.gz ABFXNWMHZZLQHK-YJBOKZPZSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529939 1137679919 /nfs/dbraw/zinc/67/99/19/1137679919.db2.gz ABFXNWMHZZLQHK-YJBOKZPZSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529939 1137679920 /nfs/dbraw/zinc/67/99/20/1137679920.db2.gz ABFXNWMHZZLQHK-YJBOKZPZSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529939 1137679921 /nfs/dbraw/zinc/67/99/21/1137679921.db2.gz ABFXNWMHZZLQHK-YJBOKZPZSA-N 2 1 347.503 3.806 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000877630531 1137683585 /nfs/dbraw/zinc/68/35/85/1137683585.db2.gz KTZBQWLSZCSSMN-VVBPWWLESA-N 2 1 330.453 3.706 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000877630531 1137683586 /nfs/dbraw/zinc/68/35/86/1137683586.db2.gz KTZBQWLSZCSSMN-VVBPWWLESA-N 2 1 330.453 3.706 20 0 EHADMP Clc1nccc2oc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc21 ZINC000877644185 1137684069 /nfs/dbraw/zinc/68/40/69/1137684069.db2.gz SBZKNYRIZAKIED-CQSZACIVSA-N 2 1 333.863 3.693 20 0 EHADMP Clc1nccc2oc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc21 ZINC000877644185 1137684070 /nfs/dbraw/zinc/68/40/70/1137684070.db2.gz SBZKNYRIZAKIED-CQSZACIVSA-N 2 1 333.863 3.693 20 0 EHADMP Clc1ncsc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000878296033 1137710204 /nfs/dbraw/zinc/71/02/04/1137710204.db2.gz KFLOIFJPNVIMCX-UHFFFAOYSA-N 2 1 327.925 3.885 20 0 EHADMP C(CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1)C[NH+]1CCCC1 ZINC000878295832 1137710233 /nfs/dbraw/zinc/71/02/33/1137710233.db2.gz GYBQHAOVQLBJAK-UHFFFAOYSA-N 2 1 331.504 3.641 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878512900 1137718556 /nfs/dbraw/zinc/71/85/56/1137718556.db2.gz SUSBDRXOGLHXGK-UHFFFAOYSA-N 2 1 329.366 3.970 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878512900 1137718558 /nfs/dbraw/zinc/71/85/58/1137718558.db2.gz SUSBDRXOGLHXGK-UHFFFAOYSA-N 2 1 329.366 3.970 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000878662017 1137724280 /nfs/dbraw/zinc/72/42/80/1137724280.db2.gz KFQZNHALPGLHDZ-QHAWAJNXSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000878662017 1137724281 /nfs/dbraw/zinc/72/42/81/1137724281.db2.gz KFQZNHALPGLHDZ-QHAWAJNXSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000878662017 1137724282 /nfs/dbraw/zinc/72/42/82/1137724282.db2.gz KFQZNHALPGLHDZ-QHAWAJNXSA-N 2 1 328.500 3.715 20 0 EHADMP COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000880090285 1137767903 /nfs/dbraw/zinc/76/79/03/1137767903.db2.gz PPAKDDPWUZPTRO-OAHLLOKOSA-N 2 1 343.471 3.608 20 0 EHADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000880090285 1137767904 /nfs/dbraw/zinc/76/79/04/1137767904.db2.gz PPAKDDPWUZPTRO-OAHLLOKOSA-N 2 1 343.471 3.608 20 0 EHADMP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+](Cc2cccc4cccnc42)C3)c1 ZINC001137175544 1137824964 /nfs/dbraw/zinc/82/49/64/1137824964.db2.gz BAWZRRNLZKKGAQ-HDICACEKSA-N 2 1 347.462 3.782 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@]34CCCO4)CC2)cc1 ZINC000883365191 1137857631 /nfs/dbraw/zinc/85/76/31/1137857631.db2.gz VYBWOKGKXUXULP-RTWAWAEBSA-N 2 1 346.490 3.524 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424563 1137860319 /nfs/dbraw/zinc/86/03/19/1137860319.db2.gz WRMHWWVWUCFRPA-WOZUAGRISA-N 2 1 328.500 3.761 20 0 EHADMP c1c(-c2ccccc2)n[nH]c1[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447634 1137860796 /nfs/dbraw/zinc/86/07/96/1137860796.db2.gz HJMNVIRBJRYDOL-IBGZPJMESA-N 2 1 338.499 3.646 20 0 EHADMP c1c(-c2ccccc2)[nH]nc1[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447634 1137860797 /nfs/dbraw/zinc/86/07/97/1137860797.db2.gz HJMNVIRBJRYDOL-IBGZPJMESA-N 2 1 338.499 3.646 20 0 EHADMP c1c(-c2ccccc2)[nH]nc1[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447634 1137860798 /nfs/dbraw/zinc/86/07/98/1137860798.db2.gz HJMNVIRBJRYDOL-IBGZPJMESA-N 2 1 338.499 3.646 20 0 EHADMP C[C@@H]1C[N@@H+](CCCc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981794 1138033146 /nfs/dbraw/zinc/03/31/46/1138033146.db2.gz HEOWWKJWPIOVBX-GDBMZVCRSA-N 2 1 339.321 3.689 20 0 EHADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCC4(CCC4)CO3)CC2)n2c1CCCC2 ZINC000886179579 1138056508 /nfs/dbraw/zinc/05/65/08/1138056508.db2.gz YKDJKBFQHQIYQC-IBGZPJMESA-N 2 1 343.515 3.748 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)s1 ZINC000348371604 1138059970 /nfs/dbraw/zinc/05/99/70/1138059970.db2.gz HFMVTQAYMVYZBV-UHFFFAOYSA-N 2 1 347.450 3.950 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000886537076 1138092291 /nfs/dbraw/zinc/09/22/91/1138092291.db2.gz SWHKIINBOAUOKR-QMMLZNLJSA-N 2 1 340.515 3.760 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000886537076 1138092294 /nfs/dbraw/zinc/09/22/94/1138092294.db2.gz SWHKIINBOAUOKR-QMMLZNLJSA-N 2 1 340.515 3.760 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCc2cccnc21 ZINC000886541106 1138093486 /nfs/dbraw/zinc/09/34/86/1138093486.db2.gz QSMDISHVBARAPK-HLIPFELVSA-N 2 1 335.495 3.815 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886542941 1138093693 /nfs/dbraw/zinc/09/36/93/1138093693.db2.gz IHFFVGMBESPXTJ-CUUWFGFTSA-N 2 1 342.527 3.833 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605388 1138101039 /nfs/dbraw/zinc/10/10/39/1138101039.db2.gz PNSJCWZPQDFVJY-LEWJYISDSA-N 2 1 340.515 3.619 20 0 EHADMP COCC1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886615546 1138102422 /nfs/dbraw/zinc/10/24/22/1138102422.db2.gz ITLAOMOORSFZJW-HBMCJLEFSA-N 2 1 342.527 3.836 20 0 EHADMP CC1(C)[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1(F)F ZINC000886638479 1138104526 /nfs/dbraw/zinc/10/45/26/1138104526.db2.gz VOFXXYQROOQLCW-XWTMOSNGSA-N 2 1 334.454 3.920 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CCCOCCc3ccccc3)CC2)[nH+]c1C ZINC000886667571 1138111411 /nfs/dbraw/zinc/11/14/11/1138111411.db2.gz CXLMVWAFYADXDD-UHFFFAOYSA-N 2 1 341.499 3.855 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000886719799 1138125258 /nfs/dbraw/zinc/12/52/58/1138125258.db2.gz IAOZSXVFOUPHJS-PMACEKPBSA-N 2 1 328.500 3.857 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818172 1138148833 /nfs/dbraw/zinc/14/88/33/1138148833.db2.gz BIGLXICAECVVIK-RTWAWAEBSA-N 2 1 328.500 3.673 20 0 EHADMP CCOc1c(Cl)cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093643875 1138238959 /nfs/dbraw/zinc/23/89/59/1138238959.db2.gz UWQQSXQKAWFIFU-UKRRQHHQSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093643875 1138238960 /nfs/dbraw/zinc/23/89/60/1138238960.db2.gz UWQQSXQKAWFIFU-UKRRQHHQSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093643875 1138238962 /nfs/dbraw/zinc/23/89/62/1138238962.db2.gz UWQQSXQKAWFIFU-UKRRQHHQSA-N 2 1 340.895 3.662 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)[C@H](C)C1 ZINC000093945318 1138243331 /nfs/dbraw/zinc/24/33/31/1138243331.db2.gz NRRZXAJPYUVNOB-HBFSDRIKSA-N 2 1 347.547 3.540 20 0 EHADMP C[C@@H]1C[N@@H+](CCCc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205983199 1138262959 /nfs/dbraw/zinc/26/29/59/1138262959.db2.gz OIYKRSLEJQBSCK-GDBMZVCRSA-N 2 1 339.321 3.689 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122910664 1138264081 /nfs/dbraw/zinc/26/40/81/1138264081.db2.gz XKWUIFIBIIQCIF-NHCUHLMSSA-N 2 1 343.559 3.576 20 0 EHADMP Cc1nc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336686195 1138403405 /nfs/dbraw/zinc/40/34/05/1138403405.db2.gz GEXVTFMAJCDECI-MOPGFXCFSA-N 2 1 341.524 3.714 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CCN1C ZINC000130577895 1138463254 /nfs/dbraw/zinc/46/32/54/1138463254.db2.gz GYVUZOIJGYKWJG-YOEHRIQHSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337486276 1138583397 /nfs/dbraw/zinc/58/33/97/1138583397.db2.gz SRHUMYIPEWBRPK-FGTMMUONSA-N 2 1 348.535 3.538 20 0 EHADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000133172465 1138624103 /nfs/dbraw/zinc/62/41/03/1138624103.db2.gz CMVRMKLXNFDZNP-UYAOXDASSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000133172465 1138624105 /nfs/dbraw/zinc/62/41/05/1138624105.db2.gz CMVRMKLXNFDZNP-UYAOXDASSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000133172465 1138624109 /nfs/dbraw/zinc/62/41/09/1138624109.db2.gz CMVRMKLXNFDZNP-UYAOXDASSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000133172465 1138624114 /nfs/dbraw/zinc/62/41/14/1138624114.db2.gz CMVRMKLXNFDZNP-UYAOXDASSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000133172465 1138624117 /nfs/dbraw/zinc/62/41/17/1138624117.db2.gz CMVRMKLXNFDZNP-UYAOXDASSA-N 2 1 346.515 3.705 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000135262968 1138738178 /nfs/dbraw/zinc/73/81/78/1138738178.db2.gz UJYZFGNUOLOEJG-MIJOPJBOSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000135262968 1138738180 /nfs/dbraw/zinc/73/81/80/1138738180.db2.gz UJYZFGNUOLOEJG-MIJOPJBOSA-N 2 1 338.499 3.575 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000338130015 1138760179 /nfs/dbraw/zinc/76/01/79/1138760179.db2.gz HMXIMLATUWKCEO-ZWKOTPCHSA-N 2 1 345.531 3.521 20 0 EHADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150785820 1138981930 /nfs/dbraw/zinc/98/19/30/1138981930.db2.gz QQMYYAHVGOXFGT-MRXNPFEDSA-N 2 1 342.405 3.545 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150785820 1138981935 /nfs/dbraw/zinc/98/19/35/1138981935.db2.gz QQMYYAHVGOXFGT-MRXNPFEDSA-N 2 1 342.405 3.545 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1F ZINC000153454656 1139137623 /nfs/dbraw/zinc/13/76/23/1139137623.db2.gz XJDAPQPAATXTTP-IRXDYDNUSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1F ZINC000153454656 1139137626 /nfs/dbraw/zinc/13/76/26/1139137626.db2.gz XJDAPQPAATXTTP-IRXDYDNUSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000173821920 1139380529 /nfs/dbraw/zinc/38/05/29/1139380529.db2.gz DCJRGTOVPPOTPE-MRXNPFEDSA-N 2 1 328.431 3.509 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000177954399 1139658702 /nfs/dbraw/zinc/65/87/02/1139658702.db2.gz KFBOKTHFIUWGNK-AUUYWEPGSA-N 2 1 335.455 3.642 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccsc3)CC2)oc1C ZINC000178106132 1139671164 /nfs/dbraw/zinc/67/11/64/1139671164.db2.gz PLEVAWAOLCAWFE-AWEZNQCLSA-N 2 1 333.501 3.916 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000178706840 1139713085 /nfs/dbraw/zinc/71/30/85/1139713085.db2.gz UYDOOLKXFJFZIV-NEPJUHHUSA-N 2 1 341.377 3.919 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120098 1139736094 /nfs/dbraw/zinc/73/60/94/1139736094.db2.gz QEACOJRNADGJGY-WMZOPIPTSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120098 1139736108 /nfs/dbraw/zinc/73/61/08/1139736108.db2.gz QEACOJRNADGJGY-WMZOPIPTSA-N 2 1 343.902 3.950 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1F ZINC000180960599 1139875459 /nfs/dbraw/zinc/87/54/59/1139875459.db2.gz BYXVJEORHJLFAE-UFYCRDLUSA-N 2 1 334.479 3.634 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000183125136 1140015089 /nfs/dbraw/zinc/01/50/89/1140015089.db2.gz UKYFTXAHOJTORY-FCEUIQTBSA-N 2 1 335.495 3.514 20 0 EHADMP CC1CC[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187778720 1140270949 /nfs/dbraw/zinc/27/09/49/1140270949.db2.gz SUKQRLXVCGSHLJ-IBGZPJMESA-N 2 1 344.478 3.740 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000190693280 1140414783 /nfs/dbraw/zinc/41/47/83/1140414783.db2.gz XGUXRDIOIGGTSB-QGZVFWFLSA-N 2 1 347.572 3.544 20 0 EHADMP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191502655 1140468373 /nfs/dbraw/zinc/46/83/73/1140468373.db2.gz MRZFLONRXDAULW-SFTDATJTSA-N 2 1 343.559 3.589 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3cc(Cl)cs3)CC2)nc(C)[nH+]1 ZINC000193139894 1140565519 /nfs/dbraw/zinc/56/55/19/1140565519.db2.gz TZIJUTOHDUVSNP-UHFFFAOYSA-N 2 1 336.892 3.567 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266898717 1140735687 /nfs/dbraw/zinc/73/56/87/1140735687.db2.gz FWOXOEGFJLEWHX-JKSUJKDBSA-N 2 1 340.471 3.740 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266898717 1140735693 /nfs/dbraw/zinc/73/56/93/1140735693.db2.gz FWOXOEGFJLEWHX-JKSUJKDBSA-N 2 1 340.471 3.740 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268748464 1140981699 /nfs/dbraw/zinc/98/16/99/1140981699.db2.gz STNDQZPWHXARDH-INIZCTEOSA-N 2 1 334.508 3.599 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000268841146 1141005151 /nfs/dbraw/zinc/00/51/51/1141005151.db2.gz IBZABYTWXAVAIG-CYBMUJFWSA-N 2 1 341.377 3.874 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268866565 1141011908 /nfs/dbraw/zinc/01/19/08/1141011908.db2.gz NVKLJADDDKOWMR-PGRDOPGGSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268908270 1141022266 /nfs/dbraw/zinc/02/22/66/1141022266.db2.gz HFSYNBXZYRFYMO-QUCCMNQESA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268908270 1141022275 /nfs/dbraw/zinc/02/22/75/1141022275.db2.gz HFSYNBXZYRFYMO-QUCCMNQESA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000269008262 1141044754 /nfs/dbraw/zinc/04/47/54/1141044754.db2.gz LUXPHSTXFHPSBD-MLZLACJZSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000269008262 1141044760 /nfs/dbraw/zinc/04/47/60/1141044760.db2.gz LUXPHSTXFHPSBD-MLZLACJZSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269009997 1141045142 /nfs/dbraw/zinc/04/51/42/1141045142.db2.gz NKCHOCMGAZRHRE-RXVVDRJESA-N 2 1 341.543 3.646 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1 ZINC000269027636 1141049593 /nfs/dbraw/zinc/04/95/93/1141049593.db2.gz QWNQVQVFDNQGSS-CHWSQXEVSA-N 2 1 341.377 3.799 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000271610368 1141405970 /nfs/dbraw/zinc/40/59/70/1141405970.db2.gz AKZAFRARYMHYRB-DLBZAZTESA-N 2 1 328.504 3.879 20 0 EHADMP C(=C\c1ccncc1)\C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640057 1141560301 /nfs/dbraw/zinc/56/03/01/1141560301.db2.gz GEVBMCCCPSENBU-VWTGBZJHSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C\c1ccncc1)\C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640057 1141560305 /nfs/dbraw/zinc/56/03/05/1141560305.db2.gz GEVBMCCCPSENBU-VWTGBZJHSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C\c1ccncc1)\C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348640057 1141560307 /nfs/dbraw/zinc/56/03/07/1141560307.db2.gz GEVBMCCCPSENBU-VWTGBZJHSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C\c1ccncc1)\C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348640057 1141560311 /nfs/dbraw/zinc/56/03/11/1141560311.db2.gz GEVBMCCCPSENBU-VWTGBZJHSA-N 2 1 333.479 3.693 20 0 EHADMP c1cc2c[nH+]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2[nH]1 ZINC001164628885 719060349 /nfs/dbraw/zinc/06/03/49/719060349.db2.gz UHFRPPMADIJZQN-AZUAARDMSA-N 2 1 332.451 3.664 20 0 EHADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027831 1032065691 /nfs/dbraw/zinc/06/56/91/1032065691.db2.gz JMNLBZSNDMJVHB-IBGZPJMESA-N 2 1 344.478 3.532 20 0 EHADMP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027831 1032065636 /nfs/dbraw/zinc/06/56/36/1032065636.db2.gz JMNLBZSNDMJVHB-IBGZPJMESA-N 2 1 344.478 3.532 20 0 EHADMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027831 1032065656 /nfs/dbraw/zinc/06/56/56/1032065656.db2.gz JMNLBZSNDMJVHB-IBGZPJMESA-N 2 1 344.478 3.532 20 0 EHADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027831 1032065673 /nfs/dbraw/zinc/06/56/73/1032065673.db2.gz JMNLBZSNDMJVHB-IBGZPJMESA-N 2 1 344.478 3.532 20 0 EHADMP C[C@@]1(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000904471369 1032067054 /nfs/dbraw/zinc/06/70/54/1032067054.db2.gz ADCYLTJRMSXYTF-LJQANCHMSA-N 2 1 334.891 3.624 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000317148734 1014243034 /nfs/dbraw/zinc/24/30/34/1014243034.db2.gz GBGYCDUJZIEQSU-UHFFFAOYSA-N 2 1 328.300 3.766 20 0 EHADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000643547039 1014484876 /nfs/dbraw/zinc/48/48/76/1014484876.db2.gz YTDVQAFZGPUABW-JKSUJKDBSA-N 2 1 342.405 3.657 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449022234 1032092971 /nfs/dbraw/zinc/09/29/71/1032092971.db2.gz HMJGHJHVPXCETE-UHFFFAOYSA-N 2 1 327.447 3.565 20 0 EHADMP C[C@@H]1CSCC[N@@H+]1Cc1ccccc1C[NH+]1CCSC[C@@H]1C ZINC000343731403 1032096597 /nfs/dbraw/zinc/09/65/97/1032096597.db2.gz BJRJKZQGEUEUBE-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000530460139 1014588511 /nfs/dbraw/zinc/58/85/11/1014588511.db2.gz HWUQHSRTXRGYJA-NEPJUHHUSA-N 2 1 342.270 3.715 20 0 EHADMP C[C@@H]1CSCC[NH+]1Cc1ccccc1C[N@@H+]1CCSC[C@@H]1C ZINC000343731403 1032096569 /nfs/dbraw/zinc/09/65/69/1032096569.db2.gz BJRJKZQGEUEUBE-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H]1CSCC[N@H+]1Cc1ccccc1C[NH+]1CCSC[C@@H]1C ZINC000343731403 1032096583 /nfs/dbraw/zinc/09/65/83/1032096583.db2.gz BJRJKZQGEUEUBE-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1 ZINC000404174892 1015553645 /nfs/dbraw/zinc/55/36/45/1015553645.db2.gz RNHMSPUIGSDJSJ-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)c1 ZINC000404174892 1015553653 /nfs/dbraw/zinc/55/36/53/1015553653.db2.gz RNHMSPUIGSDJSJ-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)c1 ZINC000404174892 1015553659 /nfs/dbraw/zinc/55/36/59/1015553659.db2.gz RNHMSPUIGSDJSJ-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1 ZINC000404174892 1015553667 /nfs/dbraw/zinc/55/36/67/1015553667.db2.gz RNHMSPUIGSDJSJ-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1 ZINC000404174892 1015553674 /nfs/dbraw/zinc/55/36/74/1015553674.db2.gz RNHMSPUIGSDJSJ-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc1 ZINC000154653810 1015708440 /nfs/dbraw/zinc/70/84/40/1015708440.db2.gz CWLBONANVXCWLC-AEFFLSMTSA-N 2 1 329.488 3.876 20 0 EHADMP CC[N@H+]1CC[C@@H](CNC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000180155251 1015876846 /nfs/dbraw/zinc/87/68/46/1015876846.db2.gz BPGCDYPSHDHTRY-HNNXBMFYSA-N 2 1 330.422 3.986 20 0 EHADMP Cc1c(C)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206812531 1016018430 /nfs/dbraw/zinc/01/84/30/1016018430.db2.gz ZGMPEHVMSHETQN-SMDDNHRTSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1c(C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206812531 1016018442 /nfs/dbraw/zinc/01/84/42/1016018442.db2.gz ZGMPEHVMSHETQN-SMDDNHRTSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)co1 ZINC001279384154 1016085125 /nfs/dbraw/zinc/08/51/25/1016085125.db2.gz DRGFKDZZEJBYLZ-UHFFFAOYSA-N 2 1 345.409 3.613 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)co1 ZINC001279384154 1016085135 /nfs/dbraw/zinc/08/51/35/1016085135.db2.gz DRGFKDZZEJBYLZ-UHFFFAOYSA-N 2 1 345.409 3.613 20 0 EHADMP O[C@]1(C[NH2+]CCC2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000705726107 1016221134 /nfs/dbraw/zinc/22/11/34/1016221134.db2.gz AAOMHCQJFMSUFW-NRFANRHFSA-N 2 1 330.516 3.574 20 0 EHADMP O[C@]1(C[NH2+]CCC2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000705726107 1016221140 /nfs/dbraw/zinc/22/11/40/1016221140.db2.gz AAOMHCQJFMSUFW-NRFANRHFSA-N 2 1 330.516 3.574 20 0 EHADMP Cn1ccnc1[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000127700039 1032144539 /nfs/dbraw/zinc/14/45/39/1032144539.db2.gz WEAVXFGXLARYFL-NXHRZFHOSA-N 2 1 344.528 3.605 20 0 EHADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000387498036 1016255037 /nfs/dbraw/zinc/25/50/37/1016255037.db2.gz XHKGSCOBGUPXBI-PCCBWWKXSA-N 2 1 341.543 3.551 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000387498036 1016255044 /nfs/dbraw/zinc/25/50/44/1016255044.db2.gz XHKGSCOBGUPXBI-PCCBWWKXSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@H](c1ccccc1Cl)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755369 1016274485 /nfs/dbraw/zinc/27/44/85/1016274485.db2.gz CMLSRVNXCAFFCE-IAGOWNOFSA-N 2 1 335.923 3.503 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000398176794 1016530379 /nfs/dbraw/zinc/53/03/79/1016530379.db2.gz VZUGOTCEHQOLJX-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[NH+](Cc1cccc(N)c1)C2 ZINC000705886217 1016537729 /nfs/dbraw/zinc/53/77/29/1016537729.db2.gz HYYUYELEFOEYQB-VXKWHMMOSA-N 2 1 335.495 3.613 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275362923 1016565297 /nfs/dbraw/zinc/56/52/97/1016565297.db2.gz BFULWZJHQAJPED-HIFRSBDPSA-N 2 1 337.389 3.685 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340234645 1016751082 /nfs/dbraw/zinc/75/10/82/1016751082.db2.gz BJAWMQQFIPAUJQ-XCDJFROHSA-N 2 1 328.500 3.729 20 0 EHADMP COc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001167254974 1016782394 /nfs/dbraw/zinc/78/23/94/1016782394.db2.gz CFOGTZFLJABIDE-LJQANCHMSA-N 2 1 346.515 3.518 20 0 EHADMP COc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001167254974 1016782405 /nfs/dbraw/zinc/78/24/05/1016782405.db2.gz CFOGTZFLJABIDE-LJQANCHMSA-N 2 1 346.515 3.518 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000078889989 1016836522 /nfs/dbraw/zinc/83/65/22/1016836522.db2.gz CXEDWOUKJVKUFY-UHFFFAOYSA-N 2 1 331.323 3.721 20 0 EHADMP Cc1ccc2sc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000528349206 1032151815 /nfs/dbraw/zinc/15/18/15/1032151815.db2.gz HNZLHEHKGCJYGO-UHFFFAOYSA-N 2 1 329.513 3.913 20 0 EHADMP Fc1ccccc1-c1ncc(CNC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000449076374 1032164253 /nfs/dbraw/zinc/16/42/53/1032164253.db2.gz PEPJXRHLRGUYKA-ZDUSSCGKSA-N 2 1 331.460 3.523 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000449076374 1032164266 /nfs/dbraw/zinc/16/42/66/1032164266.db2.gz PEPJXRHLRGUYKA-ZDUSSCGKSA-N 2 1 331.460 3.523 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089529 1032192589 /nfs/dbraw/zinc/19/25/89/1032192589.db2.gz KCTYJNOQFRDVQK-ABAIWWIYSA-N 2 1 341.268 3.507 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449091389 1032196914 /nfs/dbraw/zinc/19/69/14/1032196914.db2.gz QFWNVLXAQIHURL-RDBSUJKOSA-N 2 1 343.298 3.977 20 0 EHADMP C[C@@H]1C[C@@H](NCc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449175569 1032266076 /nfs/dbraw/zinc/26/60/76/1032266076.db2.gz KNLOJMVQVLLKCS-APWZRJJASA-N 2 1 335.451 3.971 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cccnc3o2)CCN1Cc1ccccc1 ZINC000449175569 1032266084 /nfs/dbraw/zinc/26/60/84/1032266084.db2.gz KNLOJMVQVLLKCS-APWZRJJASA-N 2 1 335.451 3.971 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924660434 1032275849 /nfs/dbraw/zinc/27/58/49/1032275849.db2.gz YSCCKZLQVLRRAG-RTWAWAEBSA-N 2 1 330.516 3.822 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)c(C(C)(C)C)n2)cc1 ZINC000666856434 1032278717 /nfs/dbraw/zinc/27/87/17/1032278717.db2.gz IFHYOSBGPGEXKX-GOSISDBHSA-N 2 1 340.515 3.710 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000449204311 1032306806 /nfs/dbraw/zinc/30/68/06/1032306806.db2.gz JOMFFYFBDQQGLP-AWEZNQCLSA-N 2 1 338.458 3.569 20 0 EHADMP Cc1cccc(CC[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536858377 1032356091 /nfs/dbraw/zinc/35/60/91/1032356091.db2.gz OWNUAFZPBXOTFX-AQNXPRMDSA-N 2 1 332.532 3.795 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730670 1032435363 /nfs/dbraw/zinc/43/53/63/1032435363.db2.gz FDJLBSRDGUNGKC-HOCLYGCPSA-N 2 1 339.321 3.702 20 0 EHADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000459731998 1032435954 /nfs/dbraw/zinc/43/59/54/1032435954.db2.gz LSMQEUNZLYCBIQ-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000459731997 1032436338 /nfs/dbraw/zinc/43/63/38/1032436338.db2.gz LSMQEUNZLYCBIQ-AWEZNQCLSA-N 2 1 340.895 3.569 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000459743963 1032457328 /nfs/dbraw/zinc/45/73/28/1032457328.db2.gz XIQHDYUNPAYDSX-MRXNPFEDSA-N 2 1 327.447 3.709 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000459778713 1032465598 /nfs/dbraw/zinc/46/55/98/1032465598.db2.gz LGVVBMKWQLMQNP-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP CCC[NH+]1CCC(NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000537109702 1032524961 /nfs/dbraw/zinc/52/49/61/1032524961.db2.gz WYZPSNORSPZTEM-QFIPXVFZSA-N 2 1 343.559 3.533 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)CC1 ZINC000537109702 1032524966 /nfs/dbraw/zinc/52/49/66/1032524966.db2.gz WYZPSNORSPZTEM-QFIPXVFZSA-N 2 1 343.559 3.533 20 0 EHADMP COc1ccccc1O[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375749282 1032546598 /nfs/dbraw/zinc/54/65/98/1032546598.db2.gz CSZADGGQQKXARS-SFHVURJKSA-N 2 1 343.471 3.524 20 0 EHADMP COc1ccccc1O[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375749282 1032546603 /nfs/dbraw/zinc/54/66/03/1032546603.db2.gz CSZADGGQQKXARS-SFHVURJKSA-N 2 1 343.471 3.524 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000634685132 1017332227 /nfs/dbraw/zinc/33/22/27/1017332227.db2.gz HWQULGBLTRQDRZ-UXHICEINSA-N 2 1 342.527 3.836 20 0 EHADMP Clc1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655707775 1017441611 /nfs/dbraw/zinc/44/16/11/1017441611.db2.gz CPUXPCRHRWOVNW-IBGZPJMESA-N 2 1 348.918 3.605 20 0 EHADMP CC(C)c1ccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655716652 1017448353 /nfs/dbraw/zinc/44/83/53/1017448353.db2.gz WEVUINHSPYXHDW-JOCHJYFZSA-N 2 1 344.543 3.976 20 0 EHADMP CCc1ccccc1[C@@H]([NH3+])CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000415043582 1017450939 /nfs/dbraw/zinc/45/09/39/1017450939.db2.gz AQIGVEINFKXZIV-FQEVSTJZSA-N 2 1 334.467 3.737 20 0 EHADMP Clc1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655728500 1017478992 /nfs/dbraw/zinc/47/89/92/1017478992.db2.gz VQBRJRZVPKDAMO-LJQANCHMSA-N 2 1 348.918 3.605 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000655730787 1017486855 /nfs/dbraw/zinc/48/68/55/1017486855.db2.gz TWEIDTWHYUGNBP-LJQANCHMSA-N 2 1 340.515 3.699 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000655730787 1017486860 /nfs/dbraw/zinc/48/68/60/1017486860.db2.gz TWEIDTWHYUGNBP-LJQANCHMSA-N 2 1 340.515 3.699 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415066558 1017497079 /nfs/dbraw/zinc/49/70/79/1017497079.db2.gz JIIPDENARWFRNL-UHFFFAOYSA-N 2 1 327.453 3.788 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000415079284 1017518900 /nfs/dbraw/zinc/51/89/00/1017518900.db2.gz HVICYOAWVKJKOU-DBXWQHBBSA-N 2 1 344.547 3.507 20 0 EHADMP c1cc(SCC[NH+]2CCCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651960375 1017549924 /nfs/dbraw/zinc/54/99/24/1017549924.db2.gz CUAHXQYHMHGXTP-OALUTQOASA-N 2 1 345.556 3.913 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415129015 1017592992 /nfs/dbraw/zinc/59/29/92/1017592992.db2.gz TYAGPBPZLFFXGH-RDTXWAMCSA-N 2 1 340.870 3.506 20 0 EHADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655792537 1017620406 /nfs/dbraw/zinc/62/04/06/1017620406.db2.gz KRRWKMRHPABFFF-LJQANCHMSA-N 2 1 328.500 3.607 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000340456436 1017895142 /nfs/dbraw/zinc/89/51/42/1017895142.db2.gz XVENKUUXIKSKQQ-HNNXBMFYSA-N 2 1 330.451 3.536 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250431 /nfs/dbraw/zinc/25/04/31/1018250431.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 2 1 349.950 3.722 20 0 EHADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250450 /nfs/dbraw/zinc/25/04/50/1018250450.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 2 1 349.950 3.722 20 0 EHADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250454 /nfs/dbraw/zinc/25/04/54/1018250454.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 2 1 349.950 3.722 20 0 EHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250464 /nfs/dbraw/zinc/25/04/64/1018250464.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 2 1 349.950 3.722 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250478 /nfs/dbraw/zinc/25/04/78/1018250478.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 2 1 349.950 3.722 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250486 /nfs/dbraw/zinc/25/04/86/1018250486.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 2 1 349.950 3.722 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250498 /nfs/dbraw/zinc/25/04/98/1018250498.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 2 1 349.950 3.722 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000289379037 1018354511 /nfs/dbraw/zinc/35/45/11/1018354511.db2.gz CDEPMZRTDDHLAC-IIBYNOLFSA-N 2 1 335.451 3.955 20 0 EHADMP CCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000893098682 1018476328 /nfs/dbraw/zinc/47/63/28/1018476328.db2.gz RKWKZIBMPXQEIM-AEFFLSMTSA-N 2 1 328.456 3.821 20 0 EHADMP COC(=O)c1csc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000580106766 1018652828 /nfs/dbraw/zinc/65/28/28/1018652828.db2.gz MYYLVZNXEITABX-IUODEOHRSA-N 2 1 326.506 3.552 20 0 EHADMP OCc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639296733 1018756349 /nfs/dbraw/zinc/75/63/49/1018756349.db2.gz DICZVKRHUBLSFN-IRLDBZIGSA-N 2 1 336.479 3.637 20 0 EHADMP CCCC[N@@H+](C)CC1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000052208879 1018763879 /nfs/dbraw/zinc/76/38/79/1018763879.db2.gz JKKHCGBURCGAEV-UHFFFAOYSA-N 2 1 348.516 3.742 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000052208879 1018763887 /nfs/dbraw/zinc/76/38/87/1018763887.db2.gz JKKHCGBURCGAEV-UHFFFAOYSA-N 2 1 348.516 3.742 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000052208879 1018763902 /nfs/dbraw/zinc/76/39/02/1018763902.db2.gz JKKHCGBURCGAEV-UHFFFAOYSA-N 2 1 348.516 3.742 20 0 EHADMP Cc1cnccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580276437 1018911695 /nfs/dbraw/zinc/91/16/95/1018911695.db2.gz XTJIYEMUQSOZLN-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cnccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580276437 1018911701 /nfs/dbraw/zinc/91/17/01/1018911701.db2.gz XTJIYEMUQSOZLN-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cnccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580276437 1018911711 /nfs/dbraw/zinc/91/17/11/1018911711.db2.gz XTJIYEMUQSOZLN-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cnccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580276437 1018911730 /nfs/dbraw/zinc/91/17/30/1018911730.db2.gz XTJIYEMUQSOZLN-JOCHJYFZSA-N 2 1 335.495 3.878 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639343498 1019218714 /nfs/dbraw/zinc/21/87/14/1019218714.db2.gz JSSWPAZWUCFCIS-DSKINZAPSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639343498 1019218726 /nfs/dbraw/zinc/21/87/26/1019218726.db2.gz JSSWPAZWUCFCIS-DSKINZAPSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000513507557 1019752039 /nfs/dbraw/zinc/75/20/39/1019752039.db2.gz VBSLMBKWKHOTOD-HKUYNNGSSA-N 2 1 348.494 3.953 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000047978311 1019796784 /nfs/dbraw/zinc/79/67/84/1019796784.db2.gz JRRKWMCNDQVECF-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513659088 1019912075 /nfs/dbraw/zinc/91/20/75/1019912075.db2.gz AWUNOPZICGDVOR-BBWFWOEESA-N 2 1 337.305 3.720 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000513678616 1019928325 /nfs/dbraw/zinc/92/83/25/1019928325.db2.gz PWGVSXIBMNIHTM-BPUTZDHNSA-N 2 1 342.405 3.547 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280525526 1020441240 /nfs/dbraw/zinc/44/12/40/1020441240.db2.gz BLDQKFXVEKWUNW-QGZVFWFLSA-N 2 1 349.482 3.780 20 0 EHADMP C[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276164352 1020789891 /nfs/dbraw/zinc/78/98/91/1020789891.db2.gz HJOSCQJUCADLQH-QLFBSQMISA-N 2 1 328.460 3.732 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000430591183 1020826659 /nfs/dbraw/zinc/82/66/59/1020826659.db2.gz JXLJCTJTVGQGFU-UHFFFAOYSA-N 2 1 329.513 3.555 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593114 1020844176 /nfs/dbraw/zinc/84/41/76/1020844176.db2.gz DEYPBJZGGMAEFD-NQIIRXRSSA-N 2 1 338.495 3.852 20 0 EHADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784467 1021334732 /nfs/dbraw/zinc/33/47/32/1021334732.db2.gz DJLZPWNJIWADQC-QGZVFWFLSA-N 2 1 338.442 3.542 20 0 EHADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783860 1021337750 /nfs/dbraw/zinc/33/77/50/1021337750.db2.gz VMJZCAYGNCUJQB-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167961403 1021348284 /nfs/dbraw/zinc/34/82/84/1021348284.db2.gz JWPVICUOOWOVNQ-VCSGRIEYSA-N 2 1 327.516 3.508 20 0 EHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccccc2s1 ZINC000187962489 1021414452 /nfs/dbraw/zinc/41/44/52/1021414452.db2.gz KPZHQVPOKPRMEO-MRXNPFEDSA-N 2 1 345.556 3.826 20 0 EHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414999240 1021469495 /nfs/dbraw/zinc/46/94/95/1021469495.db2.gz JWHJSHMZKABKFO-BMFZPTHFSA-N 2 1 328.834 3.811 20 0 EHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000684378989 1021477497 /nfs/dbraw/zinc/47/74/97/1021477497.db2.gz UAOZRCNRFWVNRO-LEWJYISDSA-N 2 1 330.516 3.659 20 0 EHADMP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000516620383 1021604284 /nfs/dbraw/zinc/60/42/84/1021604284.db2.gz JSCCBRRYJSARQG-YUMYIRISSA-N 2 1 342.527 3.713 20 0 EHADMP CC[NH+]1CCC(N(C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000506659016 1021673633 /nfs/dbraw/zinc/67/36/33/1021673633.db2.gz ASJWBWQLDRUGAS-UHFFFAOYSA-N 2 1 331.548 3.561 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000519792162 1021678814 /nfs/dbraw/zinc/67/88/14/1021678814.db2.gz LQDQQERKEHVFBY-UHFFFAOYSA-N 2 1 342.886 3.501 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000519841144 1021719663 /nfs/dbraw/zinc/71/96/63/1021719663.db2.gz KWPNCBCTVWOLME-CEWLAPEOSA-N 2 1 330.516 3.836 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154578 1021887717 /nfs/dbraw/zinc/88/77/17/1021887717.db2.gz VKAHQEIJWRFMMT-PCCBWWKXSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154578 1021887729 /nfs/dbraw/zinc/88/77/29/1021887729.db2.gz VKAHQEIJWRFMMT-PCCBWWKXSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154577 1021888586 /nfs/dbraw/zinc/88/85/86/1021888586.db2.gz VKAHQEIJWRFMMT-HKBOAZHASA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC23CC3)cc1 ZINC000519154577 1021888596 /nfs/dbraw/zinc/88/85/96/1021888596.db2.gz VKAHQEIJWRFMMT-HKBOAZHASA-N 2 1 340.511 3.731 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000276595132 1021944907 /nfs/dbraw/zinc/94/49/07/1021944907.db2.gz FDGLLCMQTGYRHF-ZDUSSCGKSA-N 2 1 336.277 3.565 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564941 1021952457 /nfs/dbraw/zinc/95/24/57/1021952457.db2.gz BEAZIWDIVBXWJB-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564941 1021952467 /nfs/dbraw/zinc/95/24/67/1021952467.db2.gz BEAZIWDIVBXWJB-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000341461918 1021969926 /nfs/dbraw/zinc/96/99/26/1021969926.db2.gz SQMRUOFQUZJZHW-IBGZPJMESA-N 2 1 339.414 3.741 20 0 EHADMP COc1cccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001279132637 1021974522 /nfs/dbraw/zinc/97/45/22/1021974522.db2.gz LJSKJXQKAFMJCG-UHFFFAOYSA-N 2 1 328.500 3.926 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000520205481 1022021863 /nfs/dbraw/zinc/02/18/63/1022021863.db2.gz XACXMEQIEMNAJE-GJZGRUSLSA-N 2 1 326.431 3.746 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593691476 1033028860 /nfs/dbraw/zinc/02/88/60/1033028860.db2.gz QDLNSIVQSONPSC-OALUTQOASA-N 2 1 344.499 3.631 20 0 EHADMP CCOC(OCC)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204741933 1022177145 /nfs/dbraw/zinc/17/71/45/1022177145.db2.gz FXZYDTHLGDUVBS-UHFFFAOYSA-N 2 1 346.515 3.724 20 0 EHADMP FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000425918404 1022203126 /nfs/dbraw/zinc/20/31/26/1022203126.db2.gz FAZHKFKSPAFMPO-CEXWTWQISA-N 2 1 334.454 3.922 20 0 EHADMP Clc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409437 1022220757 /nfs/dbraw/zinc/22/07/57/1022220757.db2.gz OCCQUVFKTXYYRP-KXBFYZLASA-N 2 1 334.891 3.668 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccnc2)C(C)C)[C@H](C)C1 ZINC000164145211 1022235627 /nfs/dbraw/zinc/23/56/27/1022235627.db2.gz YEIRIQPJGUIADJ-HMXCVIKNSA-N 2 1 347.547 3.548 20 0 EHADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@@H]2CCC[C@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000437976658 1022299799 /nfs/dbraw/zinc/29/97/99/1022299799.db2.gz KSETWKBXSSTLSQ-YOUFYPILSA-N 2 1 346.563 3.951 20 0 EHADMP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414919474 1022319127 /nfs/dbraw/zinc/31/91/27/1022319127.db2.gz VDDFNXVESWQIEX-LLVKDONJSA-N 2 1 339.213 3.827 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000550077842 1022346184 /nfs/dbraw/zinc/34/61/84/1022346184.db2.gz GNKYMHAHPMUDSV-ROUUACIJSA-N 2 1 338.536 3.743 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000550097559 1022423988 /nfs/dbraw/zinc/42/39/88/1022423988.db2.gz SHAXADCCBIJFDY-GBESFXJTSA-N 2 1 338.536 3.599 20 0 EHADMP C(C[NH+]1CCCC1)[C@@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995483 1022440863 /nfs/dbraw/zinc/44/08/63/1022440863.db2.gz HCJSBJIAEZXVOF-CCDCCJRHSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995483 1022440872 /nfs/dbraw/zinc/44/08/72/1022440872.db2.gz HCJSBJIAEZXVOF-CCDCCJRHSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995483 1022440879 /nfs/dbraw/zinc/44/08/79/1022440879.db2.gz HCJSBJIAEZXVOF-CCDCCJRHSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995483 1022440887 /nfs/dbraw/zinc/44/08/87/1022440887.db2.gz HCJSBJIAEZXVOF-CCDCCJRHSA-N 3 1 345.575 3.732 20 0 EHADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995483 1022440890 /nfs/dbraw/zinc/44/08/90/1022440890.db2.gz HCJSBJIAEZXVOF-CCDCCJRHSA-N 3 1 345.575 3.732 20 0 EHADMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156518953 1022498736 /nfs/dbraw/zinc/49/87/36/1022498736.db2.gz OAODXDQZPJBJGB-WQGACYEGSA-N 2 1 330.394 3.532 20 0 EHADMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156518953 1022498741 /nfs/dbraw/zinc/49/87/41/1022498741.db2.gz OAODXDQZPJBJGB-WQGACYEGSA-N 2 1 330.394 3.532 20 0 EHADMP CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836017 1022687631 /nfs/dbraw/zinc/68/76/31/1022687631.db2.gz IIMOLSDKZAONGT-HXUWFJFHSA-N 2 1 338.499 3.532 20 0 EHADMP CC1(C)C[N@H+](Cc2c[nH]cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836017 1022687635 /nfs/dbraw/zinc/68/76/35/1022687635.db2.gz IIMOLSDKZAONGT-HXUWFJFHSA-N 2 1 338.499 3.532 20 0 EHADMP CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836017 1022687638 /nfs/dbraw/zinc/68/76/38/1022687638.db2.gz IIMOLSDKZAONGT-HXUWFJFHSA-N 2 1 338.499 3.532 20 0 EHADMP Fc1cc(F)c2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167977335 1022733344 /nfs/dbraw/zinc/73/33/44/1022733344.db2.gz BHZASEPSZWGKCW-IHBAFOEMSA-N 2 1 348.437 3.783 20 0 EHADMP c1coc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)n1 ZINC001167977865 1022742606 /nfs/dbraw/zinc/74/26/06/1022742606.db2.gz HALDPAUOCLKRJV-IHWFROFDSA-N 2 1 337.467 3.837 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc2c(c1)CCO2 ZINC001167979033 1022752406 /nfs/dbraw/zinc/75/24/06/1022752406.db2.gz SQWQREHUIANCKX-PHHCVGHBSA-N 2 1 326.484 3.678 20 0 EHADMP Cc1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)c1 ZINC001167981969 1022788675 /nfs/dbraw/zinc/78/86/75/1022788675.db2.gz REOCXTZZKGLUNO-OTYNDTSQSA-N 2 1 325.500 3.836 20 0 EHADMP CS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000378926025 1033080609 /nfs/dbraw/zinc/08/06/09/1033080609.db2.gz SZDFHPCVZYDZDL-WOJBJXKFSA-N 2 1 332.557 3.957 20 0 EHADMP Cc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000441445525 1022835274 /nfs/dbraw/zinc/83/52/74/1022835274.db2.gz JITNAYPZABSPHB-FQEVSTJZSA-N 2 1 330.516 3.880 20 0 EHADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000414936265 1022861272 /nfs/dbraw/zinc/86/12/72/1022861272.db2.gz BWDPKLDAYYIEMC-JTQLQIEISA-N 2 1 325.275 3.614 20 0 EHADMP C[C@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430926716 1022888294 /nfs/dbraw/zinc/88/82/94/1022888294.db2.gz GXGNCKWURLUCGR-XJKSGUPXSA-N 2 1 330.394 3.534 20 0 EHADMP c1ccc(COc2cccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2)cc1 ZINC000262095562 1022924817 /nfs/dbraw/zinc/92/48/17/1022924817.db2.gz VDYWCAJPWWYORD-UHFFFAOYSA-N 2 1 336.479 3.841 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C(C)(C)c3ccc(F)cc3)CC2)s1 ZINC000449704735 1033096242 /nfs/dbraw/zinc/09/62/42/1033096242.db2.gz YYRFCQJWBDSPQZ-UHFFFAOYSA-N 2 1 347.503 3.944 20 0 EHADMP Oc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1Cl ZINC000294227753 1022997352 /nfs/dbraw/zinc/99/73/52/1022997352.db2.gz SQSOSTMDGQMOTD-UHFFFAOYSA-N 2 1 330.859 3.931 20 0 EHADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176312 1023044128 /nfs/dbraw/zinc/04/41/28/1023044128.db2.gz ZDBWKGBBMMFWPM-WMZOPIPTSA-N 2 1 334.504 3.576 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176312 1023044133 /nfs/dbraw/zinc/04/41/33/1023044133.db2.gz ZDBWKGBBMMFWPM-WMZOPIPTSA-N 2 1 334.504 3.576 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414974549 1023208305 /nfs/dbraw/zinc/20/83/05/1023208305.db2.gz NRJSLYNXDSOTRR-AWEZNQCLSA-N 2 1 343.334 3.649 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Br ZINC000578920084 1023226399 /nfs/dbraw/zinc/22/63/99/1023226399.db2.gz VXHLACBYEOYXEX-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1Br ZINC000578920084 1023226411 /nfs/dbraw/zinc/22/64/11/1023226411.db2.gz VXHLACBYEOYXEX-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Br ZINC000578920084 1023226415 /nfs/dbraw/zinc/22/64/15/1023226415.db2.gz VXHLACBYEOYXEX-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Br ZINC000578920084 1023226422 /nfs/dbraw/zinc/22/64/22/1023226422.db2.gz VXHLACBYEOYXEX-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP FC[C@@]1(C(F)(F)F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985137 1023228443 /nfs/dbraw/zinc/22/84/43/1023228443.db2.gz VZVFPEYJIFKSCO-QXULXFAOSA-N 2 1 334.401 3.616 20 0 EHADMP FC[C@@]1(C(F)(F)F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985137 1023228452 /nfs/dbraw/zinc/22/84/52/1023228452.db2.gz VZVFPEYJIFKSCO-QXULXFAOSA-N 2 1 334.401 3.616 20 0 EHADMP FC[C@@]1(C(F)(F)F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985137 1023228466 /nfs/dbraw/zinc/22/84/66/1023228466.db2.gz VZVFPEYJIFKSCO-QXULXFAOSA-N 2 1 334.401 3.616 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000510976057 1023544910 /nfs/dbraw/zinc/54/49/10/1023544910.db2.gz LMOHWCVFRUCYEU-AWEZNQCLSA-N 2 1 348.878 3.550 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000535811354 1023651886 /nfs/dbraw/zinc/65/18/86/1023651886.db2.gz JSYYMHTYBONMOZ-UHFFFAOYSA-N 2 1 326.488 3.629 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000535811354 1023651892 /nfs/dbraw/zinc/65/18/92/1023651892.db2.gz JSYYMHTYBONMOZ-UHFFFAOYSA-N 2 1 326.488 3.629 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000535811354 1023651897 /nfs/dbraw/zinc/65/18/97/1023651897.db2.gz JSYYMHTYBONMOZ-UHFFFAOYSA-N 2 1 326.488 3.629 20 0 EHADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1C[NH+](C)C ZINC000458266144 1023833261 /nfs/dbraw/zinc/83/32/61/1023833261.db2.gz DRUYUVDDDBGNPM-GOSISDBHSA-N 2 1 343.515 3.650 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000158662722 1023833672 /nfs/dbraw/zinc/83/36/72/1023833672.db2.gz ASEKUSWIIWYPQR-KDURUIRLSA-N 2 1 329.532 3.613 20 0 EHADMP CC1CC[NH+](CC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000474059270 1023958454 /nfs/dbraw/zinc/95/84/54/1023958454.db2.gz PLCDMQYVSDVTNE-SFHVURJKSA-N 2 1 343.515 3.731 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000577822508 1024236275 /nfs/dbraw/zinc/23/62/75/1024236275.db2.gz QSMVYDIRLYFGKX-XHDPSFHLSA-N 2 1 341.268 3.507 20 0 EHADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692646 1024301322 /nfs/dbraw/zinc/30/13/22/1024301322.db2.gz YYVKBGQCRBSZCL-PXNSSMCTSA-N 2 1 345.531 3.994 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000280833079 1024322214 /nfs/dbraw/zinc/32/22/14/1024322214.db2.gz LGMUKPZJAFBTOV-KGLIPLIRSA-N 2 1 337.389 3.685 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000113513322 1024322780 /nfs/dbraw/zinc/32/27/80/1024322780.db2.gz WCLNNWLXGQXFET-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000443656912 1024358569 /nfs/dbraw/zinc/35/85/69/1024358569.db2.gz LXPSVIJMIGUHOM-DOTOQJQBSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000443656912 1024358588 /nfs/dbraw/zinc/35/85/88/1024358588.db2.gz LXPSVIJMIGUHOM-DOTOQJQBSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000443656912 1024358607 /nfs/dbraw/zinc/35/86/07/1024358607.db2.gz LXPSVIJMIGUHOM-DOTOQJQBSA-N 2 1 326.406 3.930 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000277264230 1024378323 /nfs/dbraw/zinc/37/83/23/1024378323.db2.gz REXBNLJJSCULJY-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000277264230 1024378335 /nfs/dbraw/zinc/37/83/35/1024378335.db2.gz REXBNLJJSCULJY-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000346182540 1024496763 /nfs/dbraw/zinc/49/67/63/1024496763.db2.gz VBCDUXWLUMVFRY-QFBILLFUSA-N 2 1 332.451 3.954 20 0 EHADMP COC[C@H]1C[C@@H]([NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000895623966 1024670233 /nfs/dbraw/zinc/67/02/33/1024670233.db2.gz ZQDMZZWRDCPTCV-VWPQPMDRSA-N 2 1 344.543 3.939 20 0 EHADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000657298421 1024738265 /nfs/dbraw/zinc/73/82/65/1024738265.db2.gz UFFAMSPSXBCMLL-UHFFFAOYSA-N 2 1 326.488 3.740 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000425340169 1024797579 /nfs/dbraw/zinc/79/75/79/1024797579.db2.gz DOUAKVVRRJNAGM-RBUKOAKNSA-N 2 1 330.497 3.895 20 0 EHADMP c1ccc(C[N@H+](Cc2cccc3cccnc32)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435393366 1024879347 /nfs/dbraw/zinc/87/93/47/1024879347.db2.gz JJUFWVSNNDCOGS-NRFANRHFSA-N 2 1 346.478 3.774 20 0 EHADMP c1ccc(C[N@@H+](Cc2cccc3cccnc32)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435393366 1024879365 /nfs/dbraw/zinc/87/93/65/1024879365.db2.gz JJUFWVSNNDCOGS-NRFANRHFSA-N 2 1 346.478 3.774 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CCCC1 ZINC000665249478 1024889923 /nfs/dbraw/zinc/88/99/23/1024889923.db2.gz RCVHGNARQLIRNI-ZDUSSCGKSA-N 2 1 341.318 3.847 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251121 1024904418 /nfs/dbraw/zinc/90/44/18/1024904418.db2.gz HTFZSIZQCMLGAB-AQOAWAETSA-N 2 1 348.494 3.619 20 0 EHADMP Oc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435434654 1024905111 /nfs/dbraw/zinc/90/51/11/1024905111.db2.gz ZGBLRCKLBUNZKK-GOSISDBHSA-N 2 1 328.481 3.598 20 0 EHADMP Cc1nc(COc2ccc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cc2)cs1 ZINC000435435261 1024925459 /nfs/dbraw/zinc/92/54/59/1024925459.db2.gz ATFHYRRZWMJOIS-SFHVURJKSA-N 2 1 345.512 3.604 20 0 EHADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000665252478 1024947832 /nfs/dbraw/zinc/94/78/32/1024947832.db2.gz QNQKIMULYYVRFY-FVTFTPSCSA-N 2 1 335.495 3.843 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000520792801 1024957195 /nfs/dbraw/zinc/95/71/95/1024957195.db2.gz HMPNDARONNHWQL-MRXNPFEDSA-N 2 1 349.494 3.597 20 0 EHADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(C)(C)C ZINC000511053932 1024975297 /nfs/dbraw/zinc/97/52/97/1024975297.db2.gz HRXGBUCHLYBLOX-NCYKPQTJSA-N 2 1 344.543 3.938 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544364904 1024985303 /nfs/dbraw/zinc/98/53/03/1024985303.db2.gz CAUOALQRPOHNJB-IBGZPJMESA-N 2 1 332.451 3.874 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146355 1025000842 /nfs/dbraw/zinc/00/08/42/1025000842.db2.gz XUBGPYZKRSXYDH-SFHVURJKSA-N 2 1 325.456 3.648 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146355 1025000849 /nfs/dbraw/zinc/00/08/49/1025000849.db2.gz XUBGPYZKRSXYDH-SFHVURJKSA-N 2 1 325.456 3.648 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146355 1025000858 /nfs/dbraw/zinc/00/08/58/1025000858.db2.gz XUBGPYZKRSXYDH-SFHVURJKSA-N 2 1 325.456 3.648 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000892146355 1025000873 /nfs/dbraw/zinc/00/08/73/1025000873.db2.gz XUBGPYZKRSXYDH-SFHVURJKSA-N 2 1 325.456 3.648 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657311424 1025001161 /nfs/dbraw/zinc/00/11/61/1025001161.db2.gz JYUUXSBGLYASNX-RXVVDRJESA-N 2 1 346.515 3.599 20 0 EHADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000474470597 1025002174 /nfs/dbraw/zinc/00/21/74/1025002174.db2.gz DZJPTPMJOFTPIU-TZIWHRDSSA-N 2 1 330.516 3.754 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000474479101 1025019218 /nfs/dbraw/zinc/01/92/18/1025019218.db2.gz XQCIDIXLNOIDSM-MLHJIOFPSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000474479101 1025019234 /nfs/dbraw/zinc/01/92/34/1025019234.db2.gz XQCIDIXLNOIDSM-MLHJIOFPSA-N 2 1 348.531 3.906 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000520833093 1025071568 /nfs/dbraw/zinc/07/15/68/1025071568.db2.gz JGRCKSZVALUCRV-UHFFFAOYSA-N 2 1 335.854 3.967 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)[C@H](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168039504 1025238787 /nfs/dbraw/zinc/23/87/87/1025238787.db2.gz GDRXGQRKMQNDFP-XZAAFUHCSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)[C@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039504 1025238797 /nfs/dbraw/zinc/23/87/97/1025238797.db2.gz GDRXGQRKMQNDFP-XZAAFUHCSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)[C@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039504 1025238810 /nfs/dbraw/zinc/23/88/10/1025238810.db2.gz GDRXGQRKMQNDFP-XZAAFUHCSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039504 1025238821 /nfs/dbraw/zinc/23/88/21/1025238821.db2.gz GDRXGQRKMQNDFP-XZAAFUHCSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039504 1025238832 /nfs/dbraw/zinc/23/88/32/1025238832.db2.gz GDRXGQRKMQNDFP-XZAAFUHCSA-N 2 1 344.543 3.911 20 0 EHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000158022690 1025323734 /nfs/dbraw/zinc/32/37/34/1025323734.db2.gz NRXBEZCUUVLMPH-ROUUACIJSA-N 2 1 348.531 3.666 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@H]1C ZINC000346948729 1025342132 /nfs/dbraw/zinc/34/21/32/1025342132.db2.gz FHENYTOPTGBNCR-CRAIPNDOSA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@H]1C ZINC000346948729 1025342149 /nfs/dbraw/zinc/34/21/49/1025342149.db2.gz FHENYTOPTGBNCR-CRAIPNDOSA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@H]1C ZINC000346948729 1025342162 /nfs/dbraw/zinc/34/21/62/1025342162.db2.gz FHENYTOPTGBNCR-CRAIPNDOSA-N 2 1 332.488 3.636 20 0 EHADMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(-c2cnn(C)c2)c1 ZINC000897981007 1033277026 /nfs/dbraw/zinc/27/70/26/1033277026.db2.gz IELFLSZDSDHLFO-UHFFFAOYSA-N 2 1 338.499 3.502 20 0 EHADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425482706 1025428924 /nfs/dbraw/zinc/42/89/24/1025428924.db2.gz TYOFYHNFKXXBPF-KRWDZBQOSA-N 2 1 335.492 3.558 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425482706 1025428934 /nfs/dbraw/zinc/42/89/34/1025428934.db2.gz TYOFYHNFKXXBPF-KRWDZBQOSA-N 2 1 335.492 3.558 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425482706 1025428941 /nfs/dbraw/zinc/42/89/41/1025428941.db2.gz TYOFYHNFKXXBPF-KRWDZBQOSA-N 2 1 335.492 3.558 20 0 EHADMP CC[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000582151391 1025454410 /nfs/dbraw/zinc/45/44/10/1025454410.db2.gz WCWGHWQPQKRYPD-HXUWFJFHSA-N 2 1 339.483 3.597 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000442773096 1025465643 /nfs/dbraw/zinc/46/56/43/1025465643.db2.gz WJNCSFRVSNLIGT-ZIAGYGMSSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767406 1025479842 /nfs/dbraw/zinc/47/98/42/1025479842.db2.gz MQFLOVDBKGDWNB-HZPDHXFCSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767406 1025479851 /nfs/dbraw/zinc/47/98/51/1025479851.db2.gz MQFLOVDBKGDWNB-HZPDHXFCSA-N 2 1 325.500 3.735 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ncccc1Cl ZINC000530219889 1025492107 /nfs/dbraw/zinc/49/21/07/1025492107.db2.gz RZBBLHZCUMGHKO-FXAWDEMLSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ncccc1Cl ZINC000530219889 1025492112 /nfs/dbraw/zinc/49/21/12/1025492112.db2.gz RZBBLHZCUMGHKO-FXAWDEMLSA-N 2 1 343.902 3.907 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880980 1025560178 /nfs/dbraw/zinc/56/01/78/1025560178.db2.gz YNFAONVZWKLLGH-RBUKOAKNSA-N 2 1 349.950 3.592 20 0 EHADMP CCC[N@@H+](Cc1ccc(OC(F)F)c(OCC)c1)C1CC[NH2+]CC1 ZINC000347153257 1025587452 /nfs/dbraw/zinc/58/74/52/1025587452.db2.gz BYEUANOCGZBWFC-UHFFFAOYSA-N 2 1 342.430 3.651 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000443056521 1025692418 /nfs/dbraw/zinc/69/24/18/1025692418.db2.gz CUPVKZBQVMNIBD-AWEZNQCLSA-N 2 1 330.394 3.535 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)c2cccc(Br)c21 ZINC000530354973 1025697688 /nfs/dbraw/zinc/69/76/88/1025697688.db2.gz NCZBFYCWJBTLJK-XHDPSFHLSA-N 2 1 334.261 3.563 20 0 EHADMP CCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347233676 1025704434 /nfs/dbraw/zinc/70/44/34/1025704434.db2.gz ZJLMYGUOXGWOEO-UHFFFAOYSA-N 2 1 330.394 3.592 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)ccc1OC(F)F ZINC000530407341 1025778843 /nfs/dbraw/zinc/77/88/43/1025778843.db2.gz QKAHPVVDTQHXRH-SNVBAGLBSA-N 2 1 329.778 3.568 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@@]3(CCOC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044095 1025811404 /nfs/dbraw/zinc/81/14/04/1025811404.db2.gz FHXDLOPUEFQTSV-DBXWQHBBSA-N 2 1 328.500 3.540 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000522036239 1025903079 /nfs/dbraw/zinc/90/30/79/1025903079.db2.gz PBRQGPHWQCEUOJ-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000522036239 1025903091 /nfs/dbraw/zinc/90/30/91/1025903091.db2.gz PBRQGPHWQCEUOJ-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000522036239 1025903102 /nfs/dbraw/zinc/90/31/02/1025903102.db2.gz PBRQGPHWQCEUOJ-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000522036239 1025903116 /nfs/dbraw/zinc/90/31/16/1025903116.db2.gz PBRQGPHWQCEUOJ-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP Cc1c(Br)cncc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000657433199 1026292835 /nfs/dbraw/zinc/29/28/35/1026292835.db2.gz OYIIYTKKBRENFB-CYBMUJFWSA-N 2 1 340.309 3.507 20 0 EHADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277104 1026347723 /nfs/dbraw/zinc/34/77/23/1026347723.db2.gz PCWIGQKWYDFMNW-YUXAGFNASA-N 2 1 338.495 3.874 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000342588329 1026373921 /nfs/dbraw/zinc/37/39/21/1026373921.db2.gz DILBHOZIBFHOAG-KGLIPLIRSA-N 2 1 325.884 3.659 20 0 EHADMP COc1ccccc1/C=C\C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288677 1026445373 /nfs/dbraw/zinc/44/53/73/1026445373.db2.gz SUGLALOAKSUIPQ-RVPHRTOXSA-N 2 1 336.479 3.820 20 0 EHADMP c1c2ccncc2sc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452256 1026513404 /nfs/dbraw/zinc/51/34/04/1026513404.db2.gz CTMUEEPGNTYMBO-KRWDZBQOSA-N 2 1 337.492 3.908 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935589 1026648729 /nfs/dbraw/zinc/64/87/29/1026648729.db2.gz GJNYYHHOSINVDF-FXAWDEMLSA-N 2 1 326.459 3.868 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305620109 1026862378 /nfs/dbraw/zinc/86/23/78/1026862378.db2.gz HHPSLWAYMQLGDJ-PMACEKPBSA-N 2 1 345.462 3.699 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000305620109 1026862388 /nfs/dbraw/zinc/86/23/88/1026862388.db2.gz HHPSLWAYMQLGDJ-PMACEKPBSA-N 2 1 345.462 3.699 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305710986 1026923501 /nfs/dbraw/zinc/92/35/01/1026923501.db2.gz FIGJPQYWGQHSNU-FGTMMUONSA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305710986 1026923507 /nfs/dbraw/zinc/92/35/07/1026923507.db2.gz FIGJPQYWGQHSNU-FGTMMUONSA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305710986 1026923515 /nfs/dbraw/zinc/92/35/15/1026923515.db2.gz FIGJPQYWGQHSNU-FGTMMUONSA-N 2 1 336.545 3.901 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C[NH+]1CCCCC1 ZINC000125610131 1027098452 /nfs/dbraw/zinc/09/84/52/1027098452.db2.gz NPWPCLMPSUQCGP-MSOLQXFVSA-N 2 1 343.515 3.586 20 0 EHADMP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123327447 1027170510 /nfs/dbraw/zinc/17/05/10/1027170510.db2.gz JUTOMCWHEZSRJM-AWEZNQCLSA-N 2 1 348.516 3.913 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000531677653 1027202230 /nfs/dbraw/zinc/20/22/30/1027202230.db2.gz FVJVTXDVFBLPQV-HKUYNNGSSA-N 2 1 343.540 3.696 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000453064329 1027317237 /nfs/dbraw/zinc/31/72/37/1027317237.db2.gz GQXTXURCSZSNIT-PMACEKPBSA-N 2 1 348.918 3.647 20 0 EHADMP CCc1ccc(-c2noc([C@H](C)[NH2+]CCCn3cc[nH+]c3C)n2)cc1 ZINC000273326113 1027378473 /nfs/dbraw/zinc/37/84/73/1027378473.db2.gz QYCQINFPQLGBGN-AWEZNQCLSA-N 2 1 339.443 3.545 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](c1ccccc1)C2 ZINC000420299186 1027448463 /nfs/dbraw/zinc/44/84/63/1027448463.db2.gz IFLSAKZWIDDYIQ-VGSWGCGISA-N 2 1 336.479 3.794 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000420300485 1027451177 /nfs/dbraw/zinc/45/11/77/1027451177.db2.gz HPWKRWILOULTQT-CQSZACIVSA-N 2 1 342.430 3.508 20 0 EHADMP CCc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420307022 1027456527 /nfs/dbraw/zinc/45/65/27/1027456527.db2.gz IFXCBZPNPARLTP-SFHVURJKSA-N 2 1 341.524 3.850 20 0 EHADMP CCc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420307022 1027456538 /nfs/dbraw/zinc/45/65/38/1027456538.db2.gz IFXCBZPNPARLTP-SFHVURJKSA-N 2 1 341.524 3.850 20 0 EHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420311610 1027456768 /nfs/dbraw/zinc/45/67/68/1027456768.db2.gz HFBUJWXXZVBUJV-APWZRJJASA-N 2 1 326.488 3.583 20 0 EHADMP Cc1ncsc1C[N@H+](CCCc1ccsc1)C[C@H]1CC[NH2+]C1 ZINC000420310120 1027457075 /nfs/dbraw/zinc/45/70/75/1027457075.db2.gz MCOISVIILQGUPU-INIZCTEOSA-N 2 1 335.542 3.557 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCc1ccsc1)C[C@H]1CC[NH2+]C1 ZINC000420310120 1027457084 /nfs/dbraw/zinc/45/70/84/1027457084.db2.gz MCOISVIILQGUPU-INIZCTEOSA-N 2 1 335.542 3.557 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC[C@@H]1CCC[NH2+]C1 ZINC000420311968 1027459341 /nfs/dbraw/zinc/45/93/41/1027459341.db2.gz WOAOBIGBSYVHTJ-KRWDZBQOSA-N 2 1 327.472 3.596 20 0 EHADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420356990 1027488468 /nfs/dbraw/zinc/48/84/68/1027488468.db2.gz HIOMFSYBWIBLAF-CHWSQXEVSA-N 2 1 347.450 3.731 20 0 EHADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420357005 1027489164 /nfs/dbraw/zinc/48/91/64/1027489164.db2.gz HIOMFSYBWIBLAF-STQMWFEESA-N 2 1 347.450 3.731 20 0 EHADMP C[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000475563048 1027623294 /nfs/dbraw/zinc/62/32/94/1027623294.db2.gz PKDLJPWVNWSFNF-PMJAUZGISA-N 2 1 341.543 3.504 20 0 EHADMP COc1ccc(OC)c(C[N@H+](CCCn2cc[nH+]c2C)C(C)(C)C)c1 ZINC000342858349 1027694229 /nfs/dbraw/zinc/69/42/29/1027694229.db2.gz DGRWIRBHFNJOGA-UHFFFAOYSA-N 2 1 345.487 3.900 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](CCCn2cc[nH+]c2C)C(C)(C)C)c1 ZINC000342858349 1027694240 /nfs/dbraw/zinc/69/42/40/1027694240.db2.gz DGRWIRBHFNJOGA-UHFFFAOYSA-N 2 1 345.487 3.900 20 0 EHADMP CCCCCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000414652206 1027707868 /nfs/dbraw/zinc/70/78/68/1027707868.db2.gz GNUQQBWPDHJDFR-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP CCCCCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000414652206 1027707887 /nfs/dbraw/zinc/70/78/87/1027707887.db2.gz GNUQQBWPDHJDFR-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)c1c[nH+]ccc1N ZINC000422705571 1027863541 /nfs/dbraw/zinc/86/35/41/1027863541.db2.gz RZCHVRBHJBYPNK-LBPRGKRZSA-N 2 1 335.373 3.895 20 0 EHADMP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000503559388 1027894453 /nfs/dbraw/zinc/89/44/53/1027894453.db2.gz GUEBSYJOEGEMDM-IPJDOKCGSA-N 2 1 326.406 3.992 20 0 EHADMP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000503559388 1027894472 /nfs/dbraw/zinc/89/44/72/1027894472.db2.gz GUEBSYJOEGEMDM-IPJDOKCGSA-N 2 1 326.406 3.992 20 0 EHADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784894 1027939360 /nfs/dbraw/zinc/93/93/60/1027939360.db2.gz MTBKNSHANWZNMT-FDFHNCONSA-N 2 1 341.543 3.683 20 0 EHADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1Cl ZINC000422765135 1027946726 /nfs/dbraw/zinc/94/67/26/1027946726.db2.gz QGLXULRKAJMOLF-GUDVDZBRSA-N 2 1 329.875 3.677 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000502255785 1028030398 /nfs/dbraw/zinc/03/03/98/1028030398.db2.gz NTCYFPVZKCYAPA-WIYYLYMNSA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255785 1028030415 /nfs/dbraw/zinc/03/04/15/1028030415.db2.gz NTCYFPVZKCYAPA-WIYYLYMNSA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000502255785 1028030421 /nfs/dbraw/zinc/03/04/21/1028030421.db2.gz NTCYFPVZKCYAPA-WIYYLYMNSA-N 2 1 328.500 3.706 20 0 EHADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657675485 1028042341 /nfs/dbraw/zinc/04/23/41/1028042341.db2.gz VUGPKGWIYANZOA-OAQYLSRUSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657675484 1028043916 /nfs/dbraw/zinc/04/39/16/1028043916.db2.gz VUGPKGWIYANZOA-NRFANRHFSA-N 2 1 341.543 3.648 20 0 EHADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000422935440 1028064475 /nfs/dbraw/zinc/06/44/75/1028064475.db2.gz AKHOZOLAWCCGFJ-UYAOXDASSA-N 2 1 328.431 3.655 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)s1 ZINC000422941213 1028071382 /nfs/dbraw/zinc/07/13/82/1028071382.db2.gz OIRGWBJDMLVFCH-SMDDNHRTSA-N 2 1 339.302 3.559 20 0 EHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000909606466 1028079253 /nfs/dbraw/zinc/07/92/53/1028079253.db2.gz OZKWIWOCEFCXNF-GOSISDBHSA-N 2 1 343.515 3.650 20 0 EHADMP C[C@@H]([NH2+][C@H](c1cccs1)c1ccc2c(c1)CCCC2)C1C[NH2+]C1 ZINC000422966150 1028079373 /nfs/dbraw/zinc/07/93/73/1028079373.db2.gz QTVJYAUISMWLAM-VLIAUNLRSA-N 2 1 326.509 3.914 20 0 EHADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)cn1 ZINC000422968594 1028083785 /nfs/dbraw/zinc/08/37/85/1028083785.db2.gz XGJPEGUWOUYZIC-FCHUYYIVSA-N 2 1 346.478 3.670 20 0 EHADMP CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414706093 1028088023 /nfs/dbraw/zinc/08/80/23/1028088023.db2.gz GFDMOYORONOVAT-SFHVURJKSA-N 2 1 346.519 3.556 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)CC[NH2+]1 ZINC000414708714 1028110068 /nfs/dbraw/zinc/11/00/68/1028110068.db2.gz PAZBHUHANSPIAB-VXGBXAGGSA-N 2 1 343.334 3.863 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)c1ccccc1Br)c1c[nH+]ccc1N ZINC000422995982 1028133191 /nfs/dbraw/zinc/13/31/91/1028133191.db2.gz KSRVCXZJASRWCY-LBPRGKRZSA-N 2 1 348.288 3.885 20 0 EHADMP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423045479 1028151432 /nfs/dbraw/zinc/15/14/32/1028151432.db2.gz SEWKBKWUHLWHFW-UWHLTILDSA-N 2 1 344.474 3.508 20 0 EHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423065427 1028156108 /nfs/dbraw/zinc/15/61/08/1028156108.db2.gz UKLPOSPWXCGMEA-WBAXXEDZSA-N 2 1 336.401 3.881 20 0 EHADMP C[C@@H]([NH2+]CC1(c2cccc(F)c2F)CCCC1)c1c[nH+]ccc1N ZINC000423068432 1028158613 /nfs/dbraw/zinc/15/86/13/1028158613.db2.gz BXKLZDCIDAOPAI-CYBMUJFWSA-N 2 1 331.410 3.935 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423102339 1028183579 /nfs/dbraw/zinc/18/35/79/1028183579.db2.gz JXPFJIXCKTZWIW-LSTHTHJFSA-N 2 1 345.506 3.826 20 0 EHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116306 1028186320 /nfs/dbraw/zinc/18/63/20/1028186320.db2.gz PHSLWUIDWYBHFY-VFNWGFHPSA-N 2 1 339.458 3.788 20 0 EHADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(Br)cc2)s1 ZINC000423183517 1028228360 /nfs/dbraw/zinc/22/83/60/1028228360.db2.gz MLVWWEZBEJSUGD-JTQLQIEISA-N 2 1 325.275 3.787 20 0 EHADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000503930425 1028234451 /nfs/dbraw/zinc/23/44/51/1028234451.db2.gz SCKYGGUUSZMJFM-QZTJIDSGSA-N 2 1 338.442 3.791 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423212129 1028256065 /nfs/dbraw/zinc/25/60/65/1028256065.db2.gz LPRSLEUYKAFUIX-RISCZKNCSA-N 2 1 329.271 3.796 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@@H](c2ccccc2)C1 ZINC000423189411 1028258607 /nfs/dbraw/zinc/25/86/07/1028258607.db2.gz QYMWZWFPXFANBM-VRDFRSIPSA-N 2 1 342.527 3.706 20 0 EHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187371 1028259128 /nfs/dbraw/zinc/25/91/28/1028259128.db2.gz MRNOAAHDPQUTBH-CQSZACIVSA-N 2 1 333.863 3.574 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423290750 1028328268 /nfs/dbraw/zinc/32/82/68/1028328268.db2.gz FIDSQHQNYKIKMY-NPPFBWRTSA-N 3 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423290750 1028328279 /nfs/dbraw/zinc/32/82/79/1028328279.db2.gz FIDSQHQNYKIKMY-NPPFBWRTSA-N 2 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423290750 1028328296 /nfs/dbraw/zinc/32/82/96/1028328296.db2.gz FIDSQHQNYKIKMY-NPPFBWRTSA-N 2 1 337.511 3.707 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322284 1028348671 /nfs/dbraw/zinc/34/86/71/1028348671.db2.gz GKJJEZQPXNRLNL-ONGXBYRLSA-N 2 1 342.458 3.501 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000423395868 1028407471 /nfs/dbraw/zinc/40/74/71/1028407471.db2.gz SYVZYYLYYDLCQW-XEZPLFJOSA-N 2 1 332.879 3.625 20 0 EHADMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000729682912 1028449077 /nfs/dbraw/zinc/44/90/77/1028449077.db2.gz SEGWKXCVJKYLAI-INIZCTEOSA-N 2 1 346.544 3.827 20 0 EHADMP Clc1ccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423501759 1028466204 /nfs/dbraw/zinc/46/62/04/1028466204.db2.gz DPHUURQPVUMCHH-VQTJNVASSA-N 2 1 344.886 3.592 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000582999647 1028490383 /nfs/dbraw/zinc/49/03/83/1028490383.db2.gz KNAVPAAQZAZSCA-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP CCCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423500386 1028467708 /nfs/dbraw/zinc/46/77/08/1028467708.db2.gz BUYPMWPFAAZEKG-CBNMVNINSA-N 2 1 329.532 3.724 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000582999647 1028490391 /nfs/dbraw/zinc/49/03/91/1028490391.db2.gz KNAVPAAQZAZSCA-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc2ccccc21 ZINC000423502081 1028468997 /nfs/dbraw/zinc/46/89/97/1028468997.db2.gz DVKACIYEVYKYKD-KKXNLOMOSA-N 2 1 337.511 3.707 20 0 EHADMP C[NH+]1CCC([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459379986 1028475153 /nfs/dbraw/zinc/47/51/53/1028475153.db2.gz PVFVOGNZUNQAFZ-VMPITWQZSA-N 2 1 336.479 3.963 20 0 EHADMP CCCc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520165 1028495152 /nfs/dbraw/zinc/49/51/52/1028495152.db2.gz QXIJJTTVSQWEBS-RPCJCACASA-N 2 1 329.532 3.506 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCC ZINC000414749139 1028496286 /nfs/dbraw/zinc/49/62/86/1028496286.db2.gz JUNOJAUWVHROAR-SFHVURJKSA-N 2 1 334.504 3.838 20 0 EHADMP CC(C)c1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423522324 1028496307 /nfs/dbraw/zinc/49/63/07/1028496307.db2.gz UTWAJAAKPZLNMF-RPCJCACASA-N 2 1 329.532 3.677 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCn2cccn2)C1 ZINC000072965587 1028529769 /nfs/dbraw/zinc/52/97/69/1028529769.db2.gz VPDODSOLZFCZPT-WOJBJXKFSA-N 2 1 332.536 3.640 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000072965587 1028529784 /nfs/dbraw/zinc/52/97/84/1028529784.db2.gz VPDODSOLZFCZPT-WOJBJXKFSA-N 2 1 332.536 3.640 20 0 EHADMP FC(F)(F)c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC000414763805 1028671962 /nfs/dbraw/zinc/67/19/62/1028671962.db2.gz CNANRKNOJSNZRB-BETUJISGSA-N 2 1 332.797 3.790 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246916877 1028711507 /nfs/dbraw/zinc/71/15/07/1028711507.db2.gz GCFFINKIFWJEED-MSOLQXFVSA-N 2 1 343.515 3.584 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246916877 1028711513 /nfs/dbraw/zinc/71/15/13/1028711513.db2.gz GCFFINKIFWJEED-MSOLQXFVSA-N 2 1 343.515 3.584 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000246996583 1028722453 /nfs/dbraw/zinc/72/24/53/1028722453.db2.gz KLYBDKWBMUMVSJ-QZTJIDSGSA-N 2 1 341.503 3.573 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOCC(F)(F)F)C1 ZINC000247107502 1028746390 /nfs/dbraw/zinc/74/63/90/1028746390.db2.gz XPKSKDJWWICXBN-HOTGVXAUSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000247107502 1028746398 /nfs/dbraw/zinc/74/63/98/1028746398.db2.gz XPKSKDJWWICXBN-HOTGVXAUSA-N 2 1 336.442 3.542 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000247107502 1028746405 /nfs/dbraw/zinc/74/64/05/1028746405.db2.gz XPKSKDJWWICXBN-HOTGVXAUSA-N 2 1 336.442 3.542 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC000532746516 1028762834 /nfs/dbraw/zinc/76/28/34/1028762834.db2.gz OKAXURNLINWIPA-AABGKKOBSA-N 2 1 330.516 3.668 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CC12CCOCC2 ZINC000414773600 1028790230 /nfs/dbraw/zinc/79/02/30/1028790230.db2.gz ALNIRWOOSURKJG-SFHVURJKSA-N 2 1 342.508 3.602 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000248159948 1028852340 /nfs/dbraw/zinc/85/23/40/1028852340.db2.gz RZKVCEOCFSGHTK-RLFYNMQTSA-N 2 1 332.517 3.698 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000248159948 1028852353 /nfs/dbraw/zinc/85/23/53/1028852353.db2.gz RZKVCEOCFSGHTK-RLFYNMQTSA-N 2 1 332.517 3.698 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176071 1028857269 /nfs/dbraw/zinc/85/72/69/1028857269.db2.gz VOWFPHHCWXJSTM-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176071 1028857294 /nfs/dbraw/zinc/85/72/94/1028857294.db2.gz VOWFPHHCWXJSTM-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176071 1028857314 /nfs/dbraw/zinc/85/73/14/1028857314.db2.gz VOWFPHHCWXJSTM-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176071 1028857333 /nfs/dbraw/zinc/85/73/33/1028857333.db2.gz VOWFPHHCWXJSTM-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778886 1028898708 /nfs/dbraw/zinc/89/87/08/1028898708.db2.gz JMRMJXJHOHNNHX-ZIAGYGMSSA-N 2 1 330.369 3.666 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424296223 1028937724 /nfs/dbraw/zinc/93/77/24/1028937724.db2.gz FNFINAGDMMCDAN-TTYPEODASA-N 2 1 342.527 3.690 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424296223 1028937739 /nfs/dbraw/zinc/93/77/39/1028937739.db2.gz FNFINAGDMMCDAN-TTYPEODASA-N 2 1 342.527 3.690 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@H](C4CC4)C2)C3)cc1 ZINC000248761860 1028948850 /nfs/dbraw/zinc/94/88/50/1028948850.db2.gz DSTATJRUUSKUHK-CUUWFGFTSA-N 2 1 340.511 3.729 20 0 EHADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424279668 1028951670 /nfs/dbraw/zinc/95/16/70/1028951670.db2.gz GGCPZNMWBWNSJL-IBGZPJMESA-N 2 1 341.474 3.600 20 0 EHADMP CS[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1[NH+]1CCCC1 ZINC000445607308 1028971230 /nfs/dbraw/zinc/97/12/30/1028971230.db2.gz GEVSNECFYDLRMD-QZTJIDSGSA-N 2 1 347.915 3.904 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1)CC[NH2+]CC2 ZINC000424378464 1029036866 /nfs/dbraw/zinc/03/68/66/1029036866.db2.gz NFOQVVDTJWMPFK-GFCCVEGCSA-N 2 1 344.833 3.905 20 0 EHADMP c1sc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787617 1029060101 /nfs/dbraw/zinc/06/01/01/1029060101.db2.gz VPUCFHJQSOHAOP-IRXDYDNUSA-N 2 1 327.497 3.632 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)s2)o1 ZINC000414787693 1029062801 /nfs/dbraw/zinc/06/28/01/1029062801.db2.gz VVYOTWTVPNDGPY-LSDHHAIUSA-N 2 1 331.485 3.533 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000271853092 1029199750 /nfs/dbraw/zinc/19/97/50/1029199750.db2.gz MRBZQXHLRQBLLJ-INIZCTEOSA-N 2 1 334.261 3.621 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1 ZINC000271864861 1029204631 /nfs/dbraw/zinc/20/46/31/1029204631.db2.gz LHNRVFKICQYPMV-DNVCBOLYSA-N 2 1 327.472 3.628 20 0 EHADMP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737584 1029210095 /nfs/dbraw/zinc/21/00/95/1029210095.db2.gz RASIEVMKHRYNBQ-YSTOQKLRSA-N 2 1 330.516 3.569 20 0 EHADMP CSC[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000245738210 1029218586 /nfs/dbraw/zinc/21/85/86/1029218586.db2.gz LETKRAYFTRBQPX-IBGZPJMESA-N 2 1 347.572 3.544 20 0 EHADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000154544415 1029221013 /nfs/dbraw/zinc/22/10/13/1029221013.db2.gz JVDFMWWAVQTVGY-HXUWFJFHSA-N 2 1 345.531 3.585 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245764487 1029259751 /nfs/dbraw/zinc/25/97/51/1029259751.db2.gz WDQOSJPMAQCBPU-AFYVEPGGSA-N 2 1 330.516 3.975 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788655 1029300115 /nfs/dbraw/zinc/30/01/15/1029300115.db2.gz ZWQMIHPEUNCSEF-OWZKRDHZSA-N 2 1 339.483 3.619 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414812501 1029321409 /nfs/dbraw/zinc/32/14/09/1029321409.db2.gz RKERCBYMKSQPHI-UHFFFAOYSA-N 2 1 348.922 3.809 20 0 EHADMP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000272423148 1029456095 /nfs/dbraw/zinc/45/60/95/1029456095.db2.gz ODVIMDXXUSCXIN-ACDBMABISA-N 2 1 328.500 3.588 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648789 1029550595 /nfs/dbraw/zinc/55/05/95/1029550595.db2.gz JSHVXVNUFFRPMS-SIKLNZKXSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272648789 1029550598 /nfs/dbraw/zinc/55/05/98/1029550598.db2.gz JSHVXVNUFFRPMS-SIKLNZKXSA-N 2 1 343.559 3.609 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272696345 1029568996 /nfs/dbraw/zinc/56/89/96/1029568996.db2.gz XEFDYBGRDVUKGJ-GIVPXCGWSA-N 2 1 332.532 3.531 20 0 EHADMP C[C@H](c1ccco1)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000092483380 1029604377 /nfs/dbraw/zinc/60/43/77/1029604377.db2.gz OWNOFPYLQHRDQC-MRXNPFEDSA-N 2 1 328.456 3.946 20 0 EHADMP CCCCCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000525195920 1029739785 /nfs/dbraw/zinc/73/97/85/1029739785.db2.gz CFCZLQYQNBBZCT-FUHWJXTLSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000525195920 1029739788 /nfs/dbraw/zinc/73/97/88/1029739788.db2.gz CFCZLQYQNBBZCT-FUHWJXTLSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000525195920 1029739791 /nfs/dbraw/zinc/73/97/91/1029739791.db2.gz CFCZLQYQNBBZCT-FUHWJXTLSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000525195920 1029739792 /nfs/dbraw/zinc/73/97/92/1029739792.db2.gz CFCZLQYQNBBZCT-FUHWJXTLSA-N 2 1 334.504 3.837 20 0 EHADMP C[C@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000508695808 1029741073 /nfs/dbraw/zinc/74/10/73/1029741073.db2.gz IYVHCXKLEAYYFS-JBPLPALLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508695808 1029741080 /nfs/dbraw/zinc/74/10/80/1029741080.db2.gz IYVHCXKLEAYYFS-JBPLPALLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508695808 1029741086 /nfs/dbraw/zinc/74/10/86/1029741086.db2.gz IYVHCXKLEAYYFS-JBPLPALLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708751 1029770374 /nfs/dbraw/zinc/77/03/74/1029770374.db2.gz DGLOAVJODRIFEH-QESAQDPVSA-N 2 1 344.543 3.818 20 0 EHADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(Br)cc2F)C1 ZINC000446744714 1029778303 /nfs/dbraw/zinc/77/83/03/1029778303.db2.gz OGZAJSMZFJKPQR-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446744714 1029778310 /nfs/dbraw/zinc/77/83/10/1029778310.db2.gz OGZAJSMZFJKPQR-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446744714 1029778317 /nfs/dbraw/zinc/77/83/17/1029778317.db2.gz OGZAJSMZFJKPQR-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000080338678 1029814872 /nfs/dbraw/zinc/81/48/72/1029814872.db2.gz NQCGNVNOFSEDTP-LPHOPBHVSA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000080338678 1029814886 /nfs/dbraw/zinc/81/48/86/1029814886.db2.gz NQCGNVNOFSEDTP-LPHOPBHVSA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000080338678 1029814896 /nfs/dbraw/zinc/81/48/96/1029814896.db2.gz NQCGNVNOFSEDTP-LPHOPBHVSA-N 2 1 342.458 3.977 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000120635972 1030053233 /nfs/dbraw/zinc/05/32/33/1030053233.db2.gz YCUJZMPORSGYPN-TZMCWYRMSA-N 2 1 331.287 3.835 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C[C@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771273 1030154952 /nfs/dbraw/zinc/15/49/52/1030154952.db2.gz ADPDSXZOVGEWDD-RTBURBONSA-N 2 1 330.541 3.631 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000531967154 1030157350 /nfs/dbraw/zinc/15/73/50/1030157350.db2.gz APJISGKMIKTBBG-FGSXEWAUSA-N 2 1 344.543 3.963 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772012 1030190051 /nfs/dbraw/zinc/19/00/51/1030190051.db2.gz IOKMDEUOWKHKHU-UYAOXDASSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453407712 1030217518 /nfs/dbraw/zinc/21/75/18/1030217518.db2.gz SGXBEWVEVRXCOU-IBGZPJMESA-N 3 1 343.559 3.546 20 0 EHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453407712 1030217542 /nfs/dbraw/zinc/21/75/42/1030217542.db2.gz SGXBEWVEVRXCOU-IBGZPJMESA-N 2 1 343.559 3.546 20 0 EHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453407712 1030217554 /nfs/dbraw/zinc/21/75/54/1030217554.db2.gz SGXBEWVEVRXCOU-IBGZPJMESA-N 2 1 343.559 3.546 20 0 EHADMP C[C@@H]([NH2+]CCOCC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453411172 1030222640 /nfs/dbraw/zinc/22/26/40/1030222640.db2.gz XKEJORHGHNRIDX-NQIIRXRSSA-N 2 1 330.516 3.693 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453413760 1030226520 /nfs/dbraw/zinc/22/65/20/1030226520.db2.gz JEYOBUSBIBGQRA-XSDIEEQYSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1Cl ZINC000128642536 1030232977 /nfs/dbraw/zinc/23/29/77/1030232977.db2.gz JMUWNACXDDHHKC-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453392264 1030241502 /nfs/dbraw/zinc/24/15/02/1030241502.db2.gz YPSJOXXGQGGBTO-YUMYIRISSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091321122 1030254563 /nfs/dbraw/zinc/25/45/63/1030254563.db2.gz AJVPWCROHKTDSL-SJKOYZFVSA-N 2 1 348.288 3.867 20 0 EHADMP FC1(F)CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000453422660 1030272316 /nfs/dbraw/zinc/27/23/16/1030272316.db2.gz MZLAGKJCHFCYPV-CEXWTWQISA-N 2 1 334.454 3.922 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453449240 1030322211 /nfs/dbraw/zinc/32/22/11/1030322211.db2.gz ZSTPYCBSJAYCHI-YZGWKJHDSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000453449240 1030322228 /nfs/dbraw/zinc/32/22/28/1030322228.db2.gz ZSTPYCBSJAYCHI-YZGWKJHDSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000482360589 1030349844 /nfs/dbraw/zinc/34/98/44/1030349844.db2.gz TVXPLCDVPXALRV-QFIPXVFZSA-N 2 1 345.575 3.507 20 0 EHADMP CCn1nc(C)c(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000121801434 1030396708 /nfs/dbraw/zinc/39/67/08/1030396708.db2.gz KJPQYZYATCRJBU-NRFANRHFSA-N 2 1 340.515 3.664 20 0 EHADMP CC1=C(C)C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000482454471 1030441900 /nfs/dbraw/zinc/44/19/00/1030441900.db2.gz DYBDDFUWHYEPGB-UHFFFAOYSA-N 2 1 327.516 3.759 20 0 EHADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482461427 1030447264 /nfs/dbraw/zinc/44/72/64/1030447264.db2.gz RUEWVTNANIWAAW-PGRDOPGGSA-N 2 1 338.470 3.967 20 0 EHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188535 1030466358 /nfs/dbraw/zinc/46/63/58/1030466358.db2.gz KGDNAWJFYRYYAI-MSOLQXFVSA-N 2 1 335.561 3.761 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000532193257 1030468033 /nfs/dbraw/zinc/46/80/33/1030468033.db2.gz ZGFILASENDKSOD-MJGOQNOKSA-N 2 1 348.531 3.940 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000532193257 1030468044 /nfs/dbraw/zinc/46/80/44/1030468044.db2.gz ZGFILASENDKSOD-MJGOQNOKSA-N 2 1 348.531 3.940 20 0 EHADMP Cc1ccn2cc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)nc2c1 ZINC000482494229 1030478899 /nfs/dbraw/zinc/47/88/99/1030478899.db2.gz CPEXHCITEMHTIS-WIYYLYMNSA-N 2 1 348.494 3.643 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3csc(C)n3)cc2)[C@H](C)C1 ZINC000532209071 1030494411 /nfs/dbraw/zinc/49/44/11/1030494411.db2.gz SBLOJGZEYNPVQB-KDOFPFPSSA-N 2 1 329.513 3.938 20 0 EHADMP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000532239381 1030504494 /nfs/dbraw/zinc/50/44/94/1030504494.db2.gz ITQXHWFDHMQAHN-FPOVZHCZSA-N 2 1 348.506 3.626 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659967 1030648640 /nfs/dbraw/zinc/64/86/40/1030648640.db2.gz UMQDGXJDHVBBTI-HNNXBMFYSA-N 2 1 348.441 3.661 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659967 1030648649 /nfs/dbraw/zinc/64/86/49/1030648649.db2.gz UMQDGXJDHVBBTI-HNNXBMFYSA-N 2 1 348.441 3.661 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659967 1030648655 /nfs/dbraw/zinc/64/86/55/1030648655.db2.gz UMQDGXJDHVBBTI-HNNXBMFYSA-N 2 1 348.441 3.661 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659967 1030648660 /nfs/dbraw/zinc/64/86/60/1030648660.db2.gz UMQDGXJDHVBBTI-HNNXBMFYSA-N 2 1 348.441 3.661 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000237526435 1030816644 /nfs/dbraw/zinc/81/66/44/1030816644.db2.gz SOSIIHQNQFBICD-INIZCTEOSA-N 2 1 329.488 3.661 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000551000691 1030888796 /nfs/dbraw/zinc/88/87/96/1030888796.db2.gz QRHVPTIOWVVWQE-GGAORHGYSA-N 2 1 349.522 3.864 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000551000691 1030888820 /nfs/dbraw/zinc/88/88/20/1030888820.db2.gz QRHVPTIOWVVWQE-GGAORHGYSA-N 2 1 349.522 3.864 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)[nH+]1 ZINC000343471923 1031035632 /nfs/dbraw/zinc/03/56/32/1031035632.db2.gz PQRXEYJSUWWXGX-CMKODMSKSA-N 2 1 343.515 3.544 20 0 EHADMP COC1(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCCCC1 ZINC000483267802 1031076215 /nfs/dbraw/zinc/07/62/15/1031076215.db2.gz CNLISEVZDVJNTJ-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP COC1(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000483267802 1031076232 /nfs/dbraw/zinc/07/62/32/1031076232.db2.gz CNLISEVZDVJNTJ-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP COC1(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000483267802 1031076254 /nfs/dbraw/zinc/07/62/54/1031076254.db2.gz CNLISEVZDVJNTJ-FQEVSTJZSA-N 2 1 330.516 3.790 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000483310380 1031105408 /nfs/dbraw/zinc/10/54/08/1031105408.db2.gz CNYLQDHAANGYFU-UYAOXDASSA-N 2 1 332.532 3.818 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)CC2)oc1C ZINC000527658965 1031120222 /nfs/dbraw/zinc/12/02/22/1031120222.db2.gz MWLPXLPXKSSFIV-JVPBZIDWSA-N 2 1 331.504 3.528 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@H]3CCCOC3)CC23CC3)cc1 ZINC000527738964 1031190707 /nfs/dbraw/zinc/19/07/07/1031190707.db2.gz LTSIPLGGMJROMM-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@H]3CCCOC3)CC23CC3)cc1 ZINC000527738964 1031190713 /nfs/dbraw/zinc/19/07/13/1031190713.db2.gz LTSIPLGGMJROMM-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483497376 1031192883 /nfs/dbraw/zinc/19/28/83/1031192883.db2.gz BCLCBVAWQXSKII-LEWJYISDSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483497376 1031192893 /nfs/dbraw/zinc/19/28/93/1031192893.db2.gz BCLCBVAWQXSKII-LEWJYISDSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483497376 1031192902 /nfs/dbraw/zinc/19/29/02/1031192902.db2.gz BCLCBVAWQXSKII-LEWJYISDSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515525 1031199877 /nfs/dbraw/zinc/19/98/77/1031199877.db2.gz QETNXAXLKGZROJ-FDDCHVKYSA-N 2 1 349.522 3.772 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810941 1031248011 /nfs/dbraw/zinc/24/80/11/1031248011.db2.gz QCNIJIYTMORAJS-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810941 1031248023 /nfs/dbraw/zinc/24/80/23/1031248023.db2.gz QCNIJIYTMORAJS-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000527810941 1031248036 /nfs/dbraw/zinc/24/80/36/1031248036.db2.gz QCNIJIYTMORAJS-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)cn1 ZINC000527844149 1031323151 /nfs/dbraw/zinc/32/31/51/1031323151.db2.gz XJFKVMRPPYQDFJ-NRFANRHFSA-N 2 1 343.515 3.928 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100041 1031329205 /nfs/dbraw/zinc/32/92/05/1031329205.db2.gz FPJSMAIGZRVKGN-CJNGLKHVSA-N 2 1 342.405 3.523 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000151482243 1031463585 /nfs/dbraw/zinc/46/35/85/1031463585.db2.gz CDUMFWNUMJQQSL-APWZRJJASA-N 2 1 338.923 3.609 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528014415 1031567522 /nfs/dbraw/zinc/56/75/22/1031567522.db2.gz VGDSNHFEYTZCOF-QMMLZNLJSA-N 2 1 333.564 3.636 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000178697920 1031713835 /nfs/dbraw/zinc/71/38/35/1031713835.db2.gz LVQVWMGDZDNTBK-DYVFJYSZSA-N 2 1 333.863 3.985 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109881 1031742106 /nfs/dbraw/zinc/74/21/06/1031742106.db2.gz ITSLSQZFJHUPOB-PMACEKPBSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109881 1031742110 /nfs/dbraw/zinc/74/21/10/1031742110.db2.gz ITSLSQZFJHUPOB-PMACEKPBSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109881 1031742119 /nfs/dbraw/zinc/74/21/19/1031742119.db2.gz ITSLSQZFJHUPOB-PMACEKPBSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000584109881 1031742121 /nfs/dbraw/zinc/74/21/21/1031742121.db2.gz ITSLSQZFJHUPOB-PMACEKPBSA-N 2 1 329.532 3.827 20 0 EHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000179835049 1031813732 /nfs/dbraw/zinc/81/37/32/1031813732.db2.gz LNYNMBPVAMQDAI-UHFFFAOYSA-N 2 1 348.494 3.988 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376657 1032007694 /nfs/dbraw/zinc/00/76/94/1032007694.db2.gz WNUXHRUUUFODDM-XOKHGSTOSA-N 2 1 342.405 3.624 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181631849 1032015258 /nfs/dbraw/zinc/01/52/58/1032015258.db2.gz CRMCPSVFMRHIRN-KANFNMMFSA-N 2 1 348.556 3.753 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181631849 1032015269 /nfs/dbraw/zinc/01/52/69/1032015269.db2.gz CRMCPSVFMRHIRN-KANFNMMFSA-N 2 1 348.556 3.753 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657837429 1032040005 /nfs/dbraw/zinc/04/00/05/1032040005.db2.gz FUOLKUKFPYUNDP-FXAWDEMLSA-N 2 1 338.499 3.740 20 0 EHADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195134789 1032047382 /nfs/dbraw/zinc/04/73/82/1032047382.db2.gz KDLFUKDSNDMTGC-KSSFIOAISA-N 2 1 329.513 3.933 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000898113086 1033336000 /nfs/dbraw/zinc/33/60/00/1033336000.db2.gz ZFICITGMOXIVQZ-RLLQIKCJSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000898113086 1033336013 /nfs/dbraw/zinc/33/60/13/1033336013.db2.gz ZFICITGMOXIVQZ-RLLQIKCJSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000708574447 1033428541 /nfs/dbraw/zinc/42/85/41/1033428541.db2.gz OCUZQHHAKZDXPS-QAPCUYQASA-N 2 1 330.422 3.823 20 0 EHADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000401160240 1033523569 /nfs/dbraw/zinc/52/35/69/1033523569.db2.gz OKSAXUFOGCJSCC-FPOVZHCZSA-N 2 1 337.511 3.884 20 0 EHADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000401160240 1033523579 /nfs/dbraw/zinc/52/35/79/1033523579.db2.gz OKSAXUFOGCJSCC-FPOVZHCZSA-N 2 1 337.511 3.884 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598964372 1033598416 /nfs/dbraw/zinc/59/84/16/1033598416.db2.gz TUWGGPLIIAZCEQ-CYBMUJFWSA-N 2 1 349.500 3.634 20 0 EHADMP C[C@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000595017524 1033610126 /nfs/dbraw/zinc/61/01/26/1033610126.db2.gz JBXPURAJPGIRCF-BPIHKTFHSA-N 2 1 336.520 3.863 20 0 EHADMP C[C@@H](CSCCF)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000595018359 1033612322 /nfs/dbraw/zinc/61/23/22/1033612322.db2.gz MWTFLENPMMJPJU-MJQMVNBJSA-N 2 1 338.536 3.824 20 0 EHADMP COC1([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657930646 1033673310 /nfs/dbraw/zinc/67/33/10/1033673310.db2.gz CQFBKJOIZJVINE-CMKODMSKSA-N 2 1 330.516 3.834 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658142867 1033988158 /nfs/dbraw/zinc/98/81/58/1033988158.db2.gz FDOSFVDXZOONIZ-YADHBBJMSA-N 2 1 338.495 3.884 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658140628 1034005089 /nfs/dbraw/zinc/00/50/89/1034005089.db2.gz VOKKLYINXXYCDO-RTBURBONSA-N 2 1 330.497 3.556 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000658167848 1034031121 /nfs/dbraw/zinc/03/11/21/1034031121.db2.gz QSUVPYYBMTWHKV-FXAWDEMLSA-N 2 1 334.479 3.756 20 0 EHADMP C[C@H]1CCC[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000658215619 1034096950 /nfs/dbraw/zinc/09/69/50/1034096950.db2.gz KBCFUQOKYRYVGT-VWEINGBSSA-N 2 1 330.516 3.977 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615866 1034157566 /nfs/dbraw/zinc/15/75/66/1034157566.db2.gz GGOOLQPEDCEQLK-GXTWGEPZSA-N 2 1 345.350 3.981 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615866 1034157570 /nfs/dbraw/zinc/15/75/70/1034157570.db2.gz GGOOLQPEDCEQLK-GXTWGEPZSA-N 2 1 345.350 3.981 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615866 1034157576 /nfs/dbraw/zinc/15/75/76/1034157576.db2.gz GGOOLQPEDCEQLK-GXTWGEPZSA-N 2 1 345.350 3.981 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000537615866 1034157586 /nfs/dbraw/zinc/15/75/86/1034157586.db2.gz GGOOLQPEDCEQLK-GXTWGEPZSA-N 2 1 345.350 3.981 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615884 1034158439 /nfs/dbraw/zinc/15/84/39/1034158439.db2.gz GGOOLQPEDCEQLK-TZMCWYRMSA-N 2 1 345.350 3.981 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615884 1034158453 /nfs/dbraw/zinc/15/84/53/1034158453.db2.gz GGOOLQPEDCEQLK-TZMCWYRMSA-N 2 1 345.350 3.981 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615884 1034158465 /nfs/dbraw/zinc/15/84/65/1034158465.db2.gz GGOOLQPEDCEQLK-TZMCWYRMSA-N 2 1 345.350 3.981 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615884 1034158476 /nfs/dbraw/zinc/15/84/76/1034158476.db2.gz GGOOLQPEDCEQLK-TZMCWYRMSA-N 2 1 345.350 3.981 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000658317006 1034191439 /nfs/dbraw/zinc/19/14/39/1034191439.db2.gz UONUWFLVWXHVBC-YUMYIRISSA-N 2 1 342.527 3.977 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000658364210 1034237276 /nfs/dbraw/zinc/23/72/76/1034237276.db2.gz YLGWBBAQNFJCOI-MRUHUIDDSA-N 2 1 335.451 3.953 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001168331125 1034242252 /nfs/dbraw/zinc/24/22/52/1034242252.db2.gz ZOOWERYVSFFNLA-UHFFFAOYSA-N 2 1 330.394 3.890 20 0 EHADMP CCCCOCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534232720 1034300136 /nfs/dbraw/zinc/30/01/36/1034300136.db2.gz NJFPEMBOSIRGRG-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP CSc1cc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000340274538 1034473724 /nfs/dbraw/zinc/47/37/24/1034473724.db2.gz QNWHIKRYZIQRNF-MSOLQXFVSA-N 2 1 327.497 3.729 20 0 EHADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604773153 1034487554 /nfs/dbraw/zinc/48/75/54/1034487554.db2.gz COWQUPJJPUSAOH-SCTDSRPQSA-N 2 1 347.547 3.517 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340380347 1034496574 /nfs/dbraw/zinc/49/65/74/1034496574.db2.gz MCXDXQSYFFXGQS-XUVXKRRUSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340380347 1034496584 /nfs/dbraw/zinc/49/65/84/1034496584.db2.gz MCXDXQSYFFXGQS-XUVXKRRUSA-N 2 1 328.500 3.761 20 0 EHADMP CC(C)C1CCC([NH+]2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000472420773 1034828746 /nfs/dbraw/zinc/82/87/46/1034828746.db2.gz DWWCAGHLQSUVSZ-KBWCOIMZSA-N 2 1 335.580 3.693 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480464 1034913114 /nfs/dbraw/zinc/91/31/14/1034913114.db2.gz OIQHPKZWTPSXPM-QXAKKESOSA-N 2 1 346.515 3.837 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC ZINC000647480464 1034913122 /nfs/dbraw/zinc/91/31/22/1034913122.db2.gz OIQHPKZWTPSXPM-QXAKKESOSA-N 2 1 346.515 3.837 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925139 1034950438 /nfs/dbraw/zinc/95/04/38/1034950438.db2.gz HQJCOVVJUFOVAB-AZUAARDMSA-N 2 1 344.547 3.662 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925139 1034950441 /nfs/dbraw/zinc/95/04/41/1034950441.db2.gz HQJCOVVJUFOVAB-AZUAARDMSA-N 2 1 344.547 3.662 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCO[C@@H]2CCCCO2)CC1)CC(C)C ZINC000444686515 1034978792 /nfs/dbraw/zinc/97/87/92/1034978792.db2.gz CXGLIRKKZMPYOA-HXUWFJFHSA-N 2 1 340.552 3.610 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140071 1035012174 /nfs/dbraw/zinc/01/21/74/1035012174.db2.gz HOPNEPUYLCIBPU-GXTWGEPZSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140071 1035012181 /nfs/dbraw/zinc/01/21/81/1035012181.db2.gz HOPNEPUYLCIBPU-GXTWGEPZSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140071 1035012186 /nfs/dbraw/zinc/01/21/86/1035012186.db2.gz HOPNEPUYLCIBPU-GXTWGEPZSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140071 1035012190 /nfs/dbraw/zinc/01/21/90/1035012190.db2.gz HOPNEPUYLCIBPU-GXTWGEPZSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140501 1035076289 /nfs/dbraw/zinc/07/62/89/1035076289.db2.gz AMKGGYHPRZIWBQ-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140501 1035076296 /nfs/dbraw/zinc/07/62/96/1035076296.db2.gz AMKGGYHPRZIWBQ-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140501 1035076304 /nfs/dbraw/zinc/07/63/04/1035076304.db2.gz AMKGGYHPRZIWBQ-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000531140501 1035076310 /nfs/dbraw/zinc/07/63/10/1035076310.db2.gz AMKGGYHPRZIWBQ-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647496754 1035319565 /nfs/dbraw/zinc/31/95/65/1035319565.db2.gz OGSCXVGBMLZMIR-APWZRJJASA-N 2 1 342.458 3.964 20 0 EHADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498179 1035353968 /nfs/dbraw/zinc/35/39/68/1035353968.db2.gz CEBTVHNUMSTRST-MSOLQXFVSA-N 2 1 334.504 3.679 20 0 EHADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498179 1035353973 /nfs/dbraw/zinc/35/39/73/1035353973.db2.gz CEBTVHNUMSTRST-MSOLQXFVSA-N 2 1 334.504 3.679 20 0 EHADMP Cc1ccncc1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571488327 1035506726 /nfs/dbraw/zinc/50/67/26/1035506726.db2.gz LJTPOSOODJGSIP-XZOQPEGZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571488327 1035506729 /nfs/dbraw/zinc/50/67/29/1035506729.db2.gz LJTPOSOODJGSIP-XZOQPEGZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571488327 1035506733 /nfs/dbraw/zinc/50/67/33/1035506733.db2.gz LJTPOSOODJGSIP-XZOQPEGZSA-N 2 1 349.522 3.777 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000571570302 1035539711 /nfs/dbraw/zinc/53/97/11/1035539711.db2.gz SUYGBQRBKUDGGE-MRXNPFEDSA-N 2 1 333.907 3.958 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000571570302 1035539715 /nfs/dbraw/zinc/53/97/15/1035539715.db2.gz SUYGBQRBKUDGGE-MRXNPFEDSA-N 2 1 333.907 3.958 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000571570302 1035539720 /nfs/dbraw/zinc/53/97/20/1035539720.db2.gz SUYGBQRBKUDGGE-MRXNPFEDSA-N 2 1 333.907 3.958 20 0 EHADMP C[C@H](CC[NH2+][C@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282287446 1035605782 /nfs/dbraw/zinc/60/57/82/1035605782.db2.gz RXZJAMIVBDUOIW-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929644145 1035809090 /nfs/dbraw/zinc/80/90/90/1035809090.db2.gz NSUMAOZPRBHYPD-MDMSPXHWSA-N 2 1 326.475 3.864 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929644145 1035809111 /nfs/dbraw/zinc/80/91/11/1035809111.db2.gz NSUMAOZPRBHYPD-MDMSPXHWSA-N 2 1 326.475 3.864 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929644145 1035809127 /nfs/dbraw/zinc/80/91/27/1035809127.db2.gz NSUMAOZPRBHYPD-MDMSPXHWSA-N 2 1 326.475 3.864 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1Cl ZINC000414161830 1035828525 /nfs/dbraw/zinc/82/85/25/1035828525.db2.gz CPBVULLHFKOMJB-LBPRGKRZSA-N 2 1 345.830 3.856 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000414172607 1035881112 /nfs/dbraw/zinc/88/11/12/1035881112.db2.gz FNLQMKUUMJZIOA-KGLIPLIRSA-N 2 1 342.430 3.679 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000414183912 1035943959 /nfs/dbraw/zinc/94/39/59/1035943959.db2.gz OATXSAJMUQFXQN-DLBZAZTESA-N 2 1 334.504 3.867 20 0 EHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000572011812 1035946361 /nfs/dbraw/zinc/94/63/61/1035946361.db2.gz KLJUOAHRNIVNLO-SJORKVTESA-N 2 1 326.440 3.669 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000414188613 1035956723 /nfs/dbraw/zinc/95/67/23/1035956723.db2.gz QMKAWWLABJREFT-HLIPFELVSA-N 2 1 334.479 3.615 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)o1 ZINC000892574056 1036211543 /nfs/dbraw/zinc/21/15/43/1036211543.db2.gz IMMXMKGKWFCFJP-INIZCTEOSA-N 2 1 328.456 3.810 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)o1 ZINC000892574056 1036211556 /nfs/dbraw/zinc/21/15/56/1036211556.db2.gz IMMXMKGKWFCFJP-INIZCTEOSA-N 2 1 328.456 3.810 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000191501898 1036398417 /nfs/dbraw/zinc/39/84/17/1036398417.db2.gz JPWCYCKZXXTLBV-LJQANCHMSA-N 2 1 333.520 3.613 20 0 EHADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OCC1CC1 ZINC000414275787 1036404158 /nfs/dbraw/zinc/40/41/58/1036404158.db2.gz UMTIWPPCZKQCCD-UHFFFAOYSA-N 2 1 348.506 3.627 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000414292160 1036503428 /nfs/dbraw/zinc/50/34/28/1036503428.db2.gz AJMKZETZRVYQSY-FRYIKTPZSA-N 2 1 328.500 3.729 20 0 EHADMP c1csc(C[NH+]2CCC(C[NH2+]Cc3n[nH]c4ccccc43)CC2)c1 ZINC000589647360 1036579821 /nfs/dbraw/zinc/57/98/21/1036579821.db2.gz VWTVNWPKNDAIAX-UHFFFAOYSA-N 2 1 340.496 3.626 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC(C)(C)C[C@H]3C)CC2)oc1C ZINC000193134262 1036589373 /nfs/dbraw/zinc/58/93/73/1036589373.db2.gz RIQQZTNQMSKLAK-KDOFPFPSSA-N 2 1 333.520 3.918 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121856547 1036600540 /nfs/dbraw/zinc/60/05/40/1036600540.db2.gz KIMRBLFHPKFDMV-FIRPJDEBSA-N 2 1 340.511 3.759 20 0 EHADMP COc1cccc([C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395158 1036639555 /nfs/dbraw/zinc/63/95/55/1036639555.db2.gz NTWVCJNLMVKFTF-LJQANCHMSA-N 2 1 328.500 3.749 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)nn1C ZINC000414326465 1036704172 /nfs/dbraw/zinc/70/41/72/1036704172.db2.gz YDCHYFLHWTVAKM-UHFFFAOYSA-N 2 1 340.515 3.783 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)nn1C ZINC000414326465 1036704184 /nfs/dbraw/zinc/70/41/84/1036704184.db2.gz YDCHYFLHWTVAKM-UHFFFAOYSA-N 2 1 340.515 3.783 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000493128654 1036750363 /nfs/dbraw/zinc/75/03/63/1036750363.db2.gz KMJSMVYYAFNLBJ-OVZGMEQFSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000493128654 1036750379 /nfs/dbraw/zinc/75/03/79/1036750379.db2.gz KMJSMVYYAFNLBJ-OVZGMEQFSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000493128652 1036751476 /nfs/dbraw/zinc/75/14/76/1036751476.db2.gz KMJSMVYYAFNLBJ-HSFDUWRESA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000493128652 1036751499 /nfs/dbraw/zinc/75/14/99/1036751499.db2.gz KMJSMVYYAFNLBJ-HSFDUWRESA-N 2 1 330.516 3.975 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643464236 1036758615 /nfs/dbraw/zinc/75/86/15/1036758615.db2.gz MJRLWIDABFJUJR-SMDDNHRTSA-N 2 1 329.271 3.939 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643464233 1036759150 /nfs/dbraw/zinc/75/91/50/1036759150.db2.gz MJRLWIDABFJUJR-BXUZGUMPSA-N 2 1 329.271 3.939 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791323 1036808241 /nfs/dbraw/zinc/80/82/41/1036808241.db2.gz RPPSJZXMPBQSFA-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791323 1036808269 /nfs/dbraw/zinc/80/82/69/1036808269.db2.gz RPPSJZXMPBQSFA-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791323 1036808292 /nfs/dbraw/zinc/80/82/92/1036808292.db2.gz RPPSJZXMPBQSFA-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791323 1036808320 /nfs/dbraw/zinc/80/83/20/1036808320.db2.gz RPPSJZXMPBQSFA-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CCc3sc(Br)cc32)CC[N@H+]1C ZINC000310911017 1036924706 /nfs/dbraw/zinc/92/47/06/1036924706.db2.gz FAWOYCUXGJKUFS-JFGNBEQYSA-N 2 1 329.307 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CCN1C ZINC000310911017 1036924722 /nfs/dbraw/zinc/92/47/22/1036924722.db2.gz FAWOYCUXGJKUFS-JFGNBEQYSA-N 2 1 329.307 3.570 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C(C)(C)O1 ZINC000311042347 1036947880 /nfs/dbraw/zinc/94/78/80/1036947880.db2.gz FFSBSCVOFYGFHT-HAGHYFMRSA-N 2 1 342.527 3.833 20 0 EHADMP CS[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](SC)C2)C1 ZINC000590749976 1037027107 /nfs/dbraw/zinc/02/71/07/1037027107.db2.gz IWEBDGYPIDSRCD-ROUUACIJSA-N 2 1 336.570 3.561 20 0 EHADMP c1nn2ccccc2c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000312048839 1037067224 /nfs/dbraw/zinc/06/72/24/1037067224.db2.gz ARJWNGPZVQQJPX-FQEVSTJZSA-N 2 1 348.494 3.726 20 0 EHADMP c1nn2ccccc2c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000312048839 1037067244 /nfs/dbraw/zinc/06/72/44/1037067244.db2.gz ARJWNGPZVQQJPX-FQEVSTJZSA-N 2 1 348.494 3.726 20 0 EHADMP c1cncc(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)c1 ZINC000647543769 1037095201 /nfs/dbraw/zinc/09/52/01/1037095201.db2.gz RTHMYYNZVQVRCO-FCHUYYIVSA-N 2 1 335.495 3.960 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000508860714 1037158327 /nfs/dbraw/zinc/15/83/27/1037158327.db2.gz RQSWHHRUOVDVLL-VOMPUTFMSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000508860714 1037158343 /nfs/dbraw/zinc/15/83/43/1037158343.db2.gz RQSWHHRUOVDVLL-VOMPUTFMSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000508860714 1037158353 /nfs/dbraw/zinc/15/83/53/1037158353.db2.gz RQSWHHRUOVDVLL-VOMPUTFMSA-N 2 1 342.527 3.900 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000508860714 1037158359 /nfs/dbraw/zinc/15/83/59/1037158359.db2.gz RQSWHHRUOVDVLL-VOMPUTFMSA-N 2 1 342.527 3.900 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000539816995 1037235715 /nfs/dbraw/zinc/23/57/15/1037235715.db2.gz MBDOUTMKWYTXOS-DGCLKSJQSA-N 2 1 331.323 3.815 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818205 1037240167 /nfs/dbraw/zinc/24/01/67/1037240167.db2.gz KENDIMXCZFLEAY-DZGCQCFKSA-N 2 1 330.394 3.747 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818205 1037240180 /nfs/dbraw/zinc/24/01/80/1037240180.db2.gz KENDIMXCZFLEAY-DZGCQCFKSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818205 1037240191 /nfs/dbraw/zinc/24/01/91/1037240191.db2.gz KENDIMXCZFLEAY-DZGCQCFKSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818205 1037240197 /nfs/dbraw/zinc/24/01/97/1037240197.db2.gz KENDIMXCZFLEAY-DZGCQCFKSA-N 2 1 330.394 3.747 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000539899648 1037339789 /nfs/dbraw/zinc/33/97/89/1037339789.db2.gz IKCIEQPJSGDYNA-SFTDATJTSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000539899648 1037339795 /nfs/dbraw/zinc/33/97/95/1037339795.db2.gz IKCIEQPJSGDYNA-SFTDATJTSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000539899648 1037339815 /nfs/dbraw/zinc/33/98/15/1037339815.db2.gz IKCIEQPJSGDYNA-SFTDATJTSA-N 2 1 344.543 3.893 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461383 1037349278 /nfs/dbraw/zinc/34/92/78/1037349278.db2.gz MTQNVQQRCQVSBN-SMOSDQRPSA-N 2 1 349.950 3.795 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)[C@H](C)C1 ZINC000532464387 1037368035 /nfs/dbraw/zinc/36/80/35/1037368035.db2.gz CUWLWTIEQAMIDQ-XLIONFOSSA-N 2 1 348.494 3.845 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)[C@@H](C)C1 ZINC000532464385 1037369145 /nfs/dbraw/zinc/36/91/45/1037369145.db2.gz CUWLWTIEQAMIDQ-FXAWDEMLSA-N 2 1 348.494 3.845 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462787131 1037394307 /nfs/dbraw/zinc/39/43/07/1037394307.db2.gz JBEZNJYINPQVBY-GOSISDBHSA-N 2 1 346.515 3.806 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462787131 1037394322 /nfs/dbraw/zinc/39/43/22/1037394322.db2.gz JBEZNJYINPQVBY-GOSISDBHSA-N 2 1 346.515 3.806 20 0 EHADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@@H+]1C ZINC000462877998 1037505566 /nfs/dbraw/zinc/50/55/66/1037505566.db2.gz KDHDMGPYYPAHMH-DGCLKSJQSA-N 2 1 334.261 3.892 20 0 EHADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@H+]1C ZINC000462877998 1037505577 /nfs/dbraw/zinc/50/55/77/1037505577.db2.gz KDHDMGPYYPAHMH-DGCLKSJQSA-N 2 1 334.261 3.892 20 0 EHADMP Cc1ccc2c(C)cc(NC3CC[NH+](Cc4ccccn4)CC3)[nH+]c2c1 ZINC000613543385 1037520892 /nfs/dbraw/zinc/52/08/92/1037520892.db2.gz MHBFDQIFRCTIIZ-UHFFFAOYSA-N 2 1 346.478 3.745 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000532522724 1037547199 /nfs/dbraw/zinc/54/71/99/1037547199.db2.gz FAQAHMMRERDEDI-GJYPPUQNSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000532522724 1037547215 /nfs/dbraw/zinc/54/72/15/1037547215.db2.gz FAQAHMMRERDEDI-GJYPPUQNSA-N 2 1 331.504 3.599 20 0 EHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000493741024 1037590614 /nfs/dbraw/zinc/59/06/14/1037590614.db2.gz WDYLVCDMIVQCJC-KRWDZBQOSA-N 2 1 349.316 3.961 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)C1 ZINC000540165823 1037650910 /nfs/dbraw/zinc/65/09/10/1037650910.db2.gz WYTVXNFBZGRRFP-IIBYNOLFSA-N 2 1 328.500 3.850 20 0 EHADMP Cc1ccccc1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463065774 1037730463 /nfs/dbraw/zinc/73/04/63/1037730463.db2.gz VNAROCNUJPPTGC-UHFFFAOYSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073470 1037734759 /nfs/dbraw/zinc/73/47/59/1037734759.db2.gz WNRUWHYCFMRLRU-SJBKTWHCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073470 1037734774 /nfs/dbraw/zinc/73/47/74/1037734774.db2.gz WNRUWHYCFMRLRU-SJBKTWHCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073470 1037734791 /nfs/dbraw/zinc/73/47/91/1037734791.db2.gz WNRUWHYCFMRLRU-SJBKTWHCSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000463073470 1037734808 /nfs/dbraw/zinc/73/48/08/1037734808.db2.gz WNRUWHYCFMRLRU-SJBKTWHCSA-N 3 1 343.559 3.751 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000493979346 1037768316 /nfs/dbraw/zinc/76/83/16/1037768316.db2.gz YYLZLGOERSDFJA-NJDAHSKKSA-N 2 1 342.527 3.964 20 0 EHADMP C[C@H]1C[C@@H](NCC[NH+]2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463140168 1037805057 /nfs/dbraw/zinc/80/50/57/1037805057.db2.gz VFBWHSBTMAHHDZ-FPOVZHCZSA-N 2 1 329.532 3.505 20 0 EHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119716996 1037907811 /nfs/dbraw/zinc/90/78/11/1037907811.db2.gz YYKJWKIQNIDABX-JKWVGCSGSA-N 2 1 345.506 3.520 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000463247024 1037932466 /nfs/dbraw/zinc/93/24/66/1037932466.db2.gz SWRIYYBLWWDVRG-AHRSYUTCSA-N 2 1 336.479 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000463247024 1037932478 /nfs/dbraw/zinc/93/24/78/1037932478.db2.gz SWRIYYBLWWDVRG-AHRSYUTCSA-N 2 1 336.479 3.502 20 0 EHADMP C[NH+]1CCC([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000187992160 1037950558 /nfs/dbraw/zinc/95/05/58/1037950558.db2.gz UCEKLEHZQXGMNZ-UHFFFAOYSA-N 2 1 330.369 3.560 20 0 EHADMP C[C@@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463284631 1037969136 /nfs/dbraw/zinc/96/91/36/1037969136.db2.gz HIXJIUKSFMEZDS-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463269333 1037972034 /nfs/dbraw/zinc/97/20/34/1037972034.db2.gz UOPFQPRGECUJGK-HLRQEUIKSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463269333 1037972042 /nfs/dbraw/zinc/97/20/42/1037972042.db2.gz UOPFQPRGECUJGK-HLRQEUIKSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000106432417 1038077170 /nfs/dbraw/zinc/07/71/70/1038077170.db2.gz MWQXDPKLWZKWFK-VQIMIIECSA-N 2 1 331.504 3.586 20 0 EHADMP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163937518 1038415610 /nfs/dbraw/zinc/41/56/10/1038415610.db2.gz MONXNUCQLGUMIU-ROUUACIJSA-N 2 1 348.531 3.700 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@H](C)C1 ZINC000538737924 1038502880 /nfs/dbraw/zinc/50/28/80/1038502880.db2.gz LDGRKXLQKMJMOM-MJGOQNOKSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@H](C)C1 ZINC000538737924 1038502891 /nfs/dbraw/zinc/50/28/91/1038502891.db2.gz LDGRKXLQKMJMOM-MJGOQNOKSA-N 2 1 348.531 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)[C@H](C)C1 ZINC000538737924 1038502898 /nfs/dbraw/zinc/50/28/98/1038502898.db2.gz LDGRKXLQKMJMOM-MJGOQNOKSA-N 2 1 348.531 3.892 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cn(C)cn1 ZINC000924680273 1038630839 /nfs/dbraw/zinc/63/08/39/1038630839.db2.gz PPGQYSNWPBVHBB-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cn(C)cn1 ZINC000924680273 1038630846 /nfs/dbraw/zinc/63/08/46/1038630846.db2.gz PPGQYSNWPBVHBB-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000479862070 1038835191 /nfs/dbraw/zinc/83/51/91/1038835191.db2.gz CDUMFWNUMJQQSL-LPHOPBHVSA-N 2 1 338.923 3.609 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1F ZINC000479891404 1038870474 /nfs/dbraw/zinc/87/04/74/1038870474.db2.gz ZDMQHBYBKBMYNC-KRWDZBQOSA-N 2 1 342.458 3.817 20 0 EHADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000552043771 1038906445 /nfs/dbraw/zinc/90/64/45/1038906445.db2.gz BFQCTQVSEWXXNM-GHTZIAJQSA-N 2 1 332.532 3.773 20 0 EHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000552043774 1038907366 /nfs/dbraw/zinc/90/73/66/1038907366.db2.gz BFQCTQVSEWXXNM-WIYYLYMNSA-N 2 1 332.532 3.773 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c[nH]c21 ZINC000552047422 1038912558 /nfs/dbraw/zinc/91/25/58/1038912558.db2.gz MESZZJGAMPRGCX-AQNXPRMDSA-N 2 1 325.500 3.735 20 0 EHADMP COC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCC1 ZINC000552060314 1038927154 /nfs/dbraw/zinc/92/71/54/1038927154.db2.gz NUJVVMRWBUEWOK-UHFFFAOYSA-N 2 1 342.527 3.934 20 0 EHADMP C[C@H](NCC1([NH+](C)C)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480091000 1039139311 /nfs/dbraw/zinc/13/93/11/1039139311.db2.gz HPBRZPZKFIYQAM-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552276989 1039150706 /nfs/dbraw/zinc/15/07/06/1039150706.db2.gz NSESYYVCQYNASE-RCCFBDPRSA-N 2 1 336.907 3.744 20 0 EHADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552276986 1039151079 /nfs/dbraw/zinc/15/10/79/1039151079.db2.gz NSESYYVCQYNASE-KSZLIROESA-N 2 1 336.907 3.744 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000488434767 1039176297 /nfs/dbraw/zinc/17/62/97/1039176297.db2.gz MVWOWPNTVOCUBD-MRXNPFEDSA-N 2 1 349.494 3.515 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519192 1039189136 /nfs/dbraw/zinc/18/91/36/1039189136.db2.gz NPVXUQRJCXYZHI-UJMXGEILSA-N 2 1 330.541 3.771 20 0 EHADMP CC(C)OC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519287 1039190149 /nfs/dbraw/zinc/19/01/49/1039190149.db2.gz OLAZBLMSSKNHBV-FYZZASKESA-N 2 1 330.516 3.690 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898518984 1039190300 /nfs/dbraw/zinc/19/03/00/1039190300.db2.gz LRMFSLOWTDCWHJ-HSALFYBXSA-N 2 1 339.483 3.682 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000432801109 1039261731 /nfs/dbraw/zinc/26/17/31/1039261731.db2.gz TWPIJQWDIGWAQT-QGZVFWFLSA-N 2 1 332.879 3.646 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000432801109 1039261740 /nfs/dbraw/zinc/26/17/40/1039261740.db2.gz TWPIJQWDIGWAQT-QGZVFWFLSA-N 2 1 332.879 3.646 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCCCC[NH3+] ZINC000237342746 1039343818 /nfs/dbraw/zinc/34/38/18/1039343818.db2.gz PAMDBZCKITYLTH-GOSISDBHSA-N 2 1 345.531 3.586 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000924704696 1039376624 /nfs/dbraw/zinc/37/66/24/1039376624.db2.gz HHOVNYSAEAKFSQ-LLVKDONJSA-N 2 1 334.348 3.971 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)c1 ZINC000924706771 1039461769 /nfs/dbraw/zinc/46/17/69/1039461769.db2.gz JPEOVUZYQIZCIF-GOSISDBHSA-N 2 1 327.472 3.992 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H](c3ccc(F)cn3)C(C)C)CC2)[nH+]1 ZINC000345052660 1039601842 /nfs/dbraw/zinc/60/18/42/1039601842.db2.gz YDHKEHXPVDKETR-FQEVSTJZSA-N 2 1 342.462 3.880 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000480698200 1039922414 /nfs/dbraw/zinc/92/24/14/1039922414.db2.gz LYWSFRCAIIJMHA-LLGFUMIMSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000480750653 1039972221 /nfs/dbraw/zinc/97/22/21/1039972221.db2.gz SSWIPJQUCJBCAO-XMSQKQJNSA-N 2 1 338.495 3.833 20 0 EHADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000245801291 1040193438 /nfs/dbraw/zinc/19/34/38/1040193438.db2.gz PJNPPRSTFBVYGU-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245801291 1040193450 /nfs/dbraw/zinc/19/34/50/1040193450.db2.gz PJNPPRSTFBVYGU-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245801291 1040193463 /nfs/dbraw/zinc/19/34/63/1040193463.db2.gz PJNPPRSTFBVYGU-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000479442010 1040237938 /nfs/dbraw/zinc/23/79/38/1040237938.db2.gz CFEKRPUJOGVIHJ-YUXAGFNASA-N 2 1 342.527 3.725 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417863677 1040275525 /nfs/dbraw/zinc/27/55/25/1040275525.db2.gz GGJVOGHPAQLYDF-HDICACEKSA-N 2 1 340.515 3.671 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166539813 1040331933 /nfs/dbraw/zinc/33/19/33/1040331933.db2.gz NFVBGEWIRUNUIL-CYBMUJFWSA-N 2 1 348.288 3.558 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000479519910 1040339091 /nfs/dbraw/zinc/33/90/91/1040339091.db2.gz XGUZZMYUDQEQAU-MXEMCNAFSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000479554522 1040370830 /nfs/dbraw/zinc/37/08/30/1040370830.db2.gz MCOCOJKKEUCPOP-BURNTYAHSA-N 2 1 344.543 3.959 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000924866895 1040414736 /nfs/dbraw/zinc/41/47/36/1040414736.db2.gz BSKKSRBBAIXGAH-HOJAQTOUSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000924866895 1040414749 /nfs/dbraw/zinc/41/47/49/1040414749.db2.gz BSKKSRBBAIXGAH-HOJAQTOUSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)c1 ZINC000924866895 1040414761 /nfs/dbraw/zinc/41/47/61/1040414761.db2.gz BSKKSRBBAIXGAH-HOJAQTOUSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)c1 ZINC000924866895 1040414767 /nfs/dbraw/zinc/41/47/67/1040414767.db2.gz BSKKSRBBAIXGAH-HOJAQTOUSA-N 2 1 347.572 3.567 20 0 EHADMP COc1cccc(C2(F)CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000500149056 1040600725 /nfs/dbraw/zinc/60/07/25/1040600725.db2.gz AOWHAKLVGBTSRP-UHFFFAOYSA-N 2 1 334.479 3.832 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)[C@H](C)C1 ZINC000248155079 1040710115 /nfs/dbraw/zinc/71/01/15/1040710115.db2.gz RFYCCVGSNNHDTI-XPGWFJOJSA-N 2 1 334.479 3.540 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282907708 1040785763 /nfs/dbraw/zinc/78/57/63/1040785763.db2.gz XDNGHIMVBVGATM-SESVDKBCSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001167752539 1040850370 /nfs/dbraw/zinc/85/03/70/1040850370.db2.gz VXIZRTDJDAOBMB-HKUYNNGSSA-N 2 1 330.520 3.915 20 0 EHADMP C[C@H]1CCCC[NH+]1CCCNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001167752539 1040850386 /nfs/dbraw/zinc/85/03/86/1040850386.db2.gz VXIZRTDJDAOBMB-HKUYNNGSSA-N 2 1 330.520 3.915 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000555619510 1040924127 /nfs/dbraw/zinc/92/41/27/1040924127.db2.gz SZYOUYQSDZNWEF-STZQEDGTSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000555619510 1040924141 /nfs/dbraw/zinc/92/41/41/1040924141.db2.gz SZYOUYQSDZNWEF-STZQEDGTSA-N 2 1 344.543 3.818 20 0 EHADMP C[N@@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290145033 1040934330 /nfs/dbraw/zinc/93/43/30/1040934330.db2.gz CIZLFRCMSRFYNA-UNMCSNQZSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@H](O)c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290145033 1040934338 /nfs/dbraw/zinc/93/43/38/1040934338.db2.gz CIZLFRCMSRFYNA-UNMCSNQZSA-N 2 1 338.495 3.564 20 0 EHADMP C[NH+](CC[C@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290145033 1040934364 /nfs/dbraw/zinc/93/43/64/1040934364.db2.gz CIZLFRCMSRFYNA-UNMCSNQZSA-N 2 1 338.495 3.564 20 0 EHADMP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000512827250 1041046993 /nfs/dbraw/zinc/04/69/93/1041046993.db2.gz JECATOFWBXTSNW-HNNXBMFYSA-N 2 1 345.874 3.986 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3scnc3c2)no1 ZINC001212144881 1041112591 /nfs/dbraw/zinc/11/25/91/1041112591.db2.gz GEGDDXOJNOZRBP-ZDUSSCGKSA-N 2 1 345.472 3.514 20 0 EHADMP CCCOc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1 ZINC001212144661 1041113564 /nfs/dbraw/zinc/11/35/64/1041113564.db2.gz AKHLPACWIRVDLU-KRWDZBQOSA-N 2 1 346.475 3.694 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cs1 ZINC000193969061 1041183694 /nfs/dbraw/zinc/18/36/94/1041183694.db2.gz MGOCAKDZLUFOCL-WDEREUQCSA-N 2 1 329.307 3.646 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000481712519 1041292034 /nfs/dbraw/zinc/29/20/34/1041292034.db2.gz ATILAAVPUADMRZ-WIYYLYMNSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000481712519 1041292050 /nfs/dbraw/zinc/29/20/50/1041292050.db2.gz ATILAAVPUADMRZ-WIYYLYMNSA-N 2 1 330.516 3.836 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433330094 1041295309 /nfs/dbraw/zinc/29/53/09/1041295309.db2.gz ATGUQFYXRMULCT-WBVHZDCISA-N 2 1 330.476 3.660 20 0 EHADMP CO[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496364 1041574454 /nfs/dbraw/zinc/57/44/54/1041574454.db2.gz GIZUGBWGIGNJJC-APWZRJJASA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496364 1041574459 /nfs/dbraw/zinc/57/44/59/1041574459.db2.gz GIZUGBWGIGNJJC-APWZRJJASA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496364 1041574468 /nfs/dbraw/zinc/57/44/68/1041574468.db2.gz GIZUGBWGIGNJJC-APWZRJJASA-N 2 1 336.545 3.625 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(-c3cccc(C)c3)nc2C)C[C@@H]1C ZINC000651644689 1041836015 /nfs/dbraw/zinc/83/60/15/1041836015.db2.gz ZLRHTJYQFBQDDI-FXAWDEMLSA-N 2 1 340.515 3.794 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000651928480 1042202389 /nfs/dbraw/zinc/20/23/89/1042202389.db2.gz IIYNYVKIRNVRIT-VOQZNFBZSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000651928480 1042202395 /nfs/dbraw/zinc/20/23/95/1042202395.db2.gz IIYNYVKIRNVRIT-VOQZNFBZSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652347587 1042408074 /nfs/dbraw/zinc/40/80/74/1042408074.db2.gz FHPUVYNLQBJZIJ-NSHGMRRFSA-N 2 1 348.556 3.614 20 0 EHADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cc(Br)cs1 ZINC000050953612 1042538147 /nfs/dbraw/zinc/53/81/47/1042538147.db2.gz HFCSFHJDHISLFE-UHFFFAOYSA-N 2 1 331.323 3.722 20 0 EHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250633 1042635115 /nfs/dbraw/zinc/63/51/15/1042635115.db2.gz KHTPYVIUTLWATK-WCQYABFASA-N 2 1 329.271 3.507 20 0 EHADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662260078 1042642680 /nfs/dbraw/zinc/64/26/80/1042642680.db2.gz GRCVWZQAHATFPR-OAQYLSRUSA-N 2 1 346.478 3.556 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299137 1042665555 /nfs/dbraw/zinc/66/55/55/1042665555.db2.gz ZYFYHFIMVHEYBX-IBGZPJMESA-N 2 1 339.483 3.862 20 0 EHADMP c1ccc(-c2nc3c(s2)C[N@@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC000662304879 1042672400 /nfs/dbraw/zinc/67/24/00/1042672400.db2.gz NLCZILKTVVMTTH-UHFFFAOYSA-N 2 1 327.497 3.558 20 0 EHADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316758 1042681264 /nfs/dbraw/zinc/68/12/64/1042681264.db2.gz NCUMPOANCCFXTF-GDBMZVCRSA-N 2 1 332.467 3.535 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1CCC[NH3+] ZINC000662317662 1042683155 /nfs/dbraw/zinc/68/31/55/1042683155.db2.gz YYXNEAZVDOPGIV-IUODEOHRSA-N 2 1 330.394 3.767 20 0 EHADMP C[C@H](CCSc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326041 1042685459 /nfs/dbraw/zinc/68/54/59/1042685459.db2.gz UWHIHTKZNHKECS-QZTJIDSGSA-N 2 1 336.545 3.600 20 0 EHADMP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662328870 1042690501 /nfs/dbraw/zinc/69/05/01/1042690501.db2.gz VXQRYAWBOUCDGA-UHFFFAOYSA-N 2 1 338.499 3.565 20 0 EHADMP Clc1cnc2oc(CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663343995 1042726416 /nfs/dbraw/zinc/72/64/16/1042726416.db2.gz LSGHDKLCWAZWJX-AWEZNQCLSA-N 2 1 333.863 3.693 20 0 EHADMP Clc1cnc2oc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc2c1 ZINC000663343995 1042726422 /nfs/dbraw/zinc/72/64/22/1042726422.db2.gz LSGHDKLCWAZWJX-AWEZNQCLSA-N 2 1 333.863 3.693 20 0 EHADMP Clc1cnc2oc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663343995 1042726425 /nfs/dbraw/zinc/72/64/25/1042726425.db2.gz LSGHDKLCWAZWJX-AWEZNQCLSA-N 2 1 333.863 3.693 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000511988257 1042903194 /nfs/dbraw/zinc/90/31/94/1042903194.db2.gz HBAMUXYTMCCCID-SDDRHHMPSA-N 2 1 331.323 3.952 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Br ZINC000511988257 1042903196 /nfs/dbraw/zinc/90/31/96/1042903196.db2.gz HBAMUXYTMCCCID-SDDRHHMPSA-N 2 1 331.323 3.952 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000278913275 1042929186 /nfs/dbraw/zinc/92/91/86/1042929186.db2.gz HBIRKQNPOHADCU-KGLIPLIRSA-N 2 1 331.485 3.527 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000512046142 1043038446 /nfs/dbraw/zinc/03/84/46/1043038446.db2.gz QRSHQUIJQZDBNK-QGZVFWFLSA-N 2 1 326.484 3.953 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3cccc(Cl)c3)C2)CCCO1 ZINC000432411304 1043122855 /nfs/dbraw/zinc/12/28/55/1043122855.db2.gz XEITZMQLXCELAO-LSJNQWAISA-N 2 1 336.907 3.677 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3cccc(Cl)c3)C2)CCCO1 ZINC000432411304 1043122858 /nfs/dbraw/zinc/12/28/58/1043122858.db2.gz XEITZMQLXCELAO-LSJNQWAISA-N 2 1 336.907 3.677 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432414709 1043130812 /nfs/dbraw/zinc/13/08/12/1043130812.db2.gz AMNAMTYRGDDUKD-HKUYNNGSSA-N 2 1 348.556 3.931 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc2ccccc21 ZINC000432418718 1043142431 /nfs/dbraw/zinc/14/24/31/1043142431.db2.gz UWUBXIHOKKBMHU-ROUUACIJSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc2ccccc21 ZINC000432418718 1043142433 /nfs/dbraw/zinc/14/24/33/1043142433.db2.gz UWUBXIHOKKBMHU-ROUUACIJSA-N 2 1 326.484 3.991 20 0 EHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420558 1043148337 /nfs/dbraw/zinc/14/83/37/1043148337.db2.gz KZVYEWMVJKECOI-DNVCBOLYSA-N 2 1 340.458 3.752 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587584 1043322541 /nfs/dbraw/zinc/32/25/41/1043322541.db2.gz YUPUZBYRPORLJF-CABCVRRESA-N 2 1 328.447 3.927 20 0 EHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587584 1043322551 /nfs/dbraw/zinc/32/25/51/1043322551.db2.gz YUPUZBYRPORLJF-CABCVRRESA-N 2 1 328.447 3.927 20 0 EHADMP C(=C/C[N@H+]1CCCc2occc2C1)\C[NH+]1CCCc2occc2C1 ZINC000344261746 1043548212 /nfs/dbraw/zinc/54/82/12/1043548212.db2.gz KBVMEMWDVVIVRQ-OWOJBTEDSA-N 2 1 326.440 3.625 20 0 EHADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)cc(Br)c1 ZINC000344295317 1043610239 /nfs/dbraw/zinc/61/02/39/1043610239.db2.gz JSSWHEQFPOSNNC-MRXNPFEDSA-N 2 1 341.268 3.891 20 0 EHADMP CCc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000279409774 1044051655 /nfs/dbraw/zinc/05/16/55/1044051655.db2.gz LZWYNLPEIWYXGJ-UHFFFAOYSA-N 2 1 330.501 3.618 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000344574255 1044135970 /nfs/dbraw/zinc/13/59/70/1044135970.db2.gz CGXDLPDGIDTHDF-SOLBZPMBSA-N 2 1 331.504 3.544 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000344574255 1044135974 /nfs/dbraw/zinc/13/59/74/1044135974.db2.gz CGXDLPDGIDTHDF-SOLBZPMBSA-N 2 1 331.504 3.544 20 0 EHADMP CN(C)c1ccccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254655 1044413323 /nfs/dbraw/zinc/41/33/23/1044413323.db2.gz XMFLYKHEZZBFGP-QHCPKHFHSA-N 2 1 349.522 3.851 20 0 EHADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512254655 1044413338 /nfs/dbraw/zinc/41/33/38/1044413338.db2.gz XMFLYKHEZZBFGP-QHCPKHFHSA-N 2 1 349.522 3.851 20 0 EHADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512254655 1044413347 /nfs/dbraw/zinc/41/33/47/1044413347.db2.gz XMFLYKHEZZBFGP-QHCPKHFHSA-N 2 1 349.522 3.851 20 0 EHADMP O[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269766 1044485990 /nfs/dbraw/zinc/48/59/90/1044485990.db2.gz MUSBVHSLWMEOCK-FCHUYYIVSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269766 1044485996 /nfs/dbraw/zinc/48/59/96/1044485996.db2.gz MUSBVHSLWMEOCK-FCHUYYIVSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000512269766 1044486003 /nfs/dbraw/zinc/48/60/03/1044486003.db2.gz MUSBVHSLWMEOCK-FCHUYYIVSA-N 2 1 342.527 3.526 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905107 1044839562 /nfs/dbraw/zinc/83/95/62/1044839562.db2.gz LNHWXKDMRZWBHJ-YESZJQIVSA-N 2 1 334.504 3.517 20 0 EHADMP CCCCOC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183679487 1125685366 /nfs/dbraw/zinc/68/53/66/1125685366.db2.gz IOHVFCLGOLQKHE-OAHLLOKOSA-N 2 1 329.444 3.565 20 0 EHADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000172093087 1126780068 /nfs/dbraw/zinc/78/00/68/1126780068.db2.gz VZUOJSNJCMYYCQ-MAUKXSAKSA-N 2 1 333.520 3.532 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC[N@H+]1C ZINC000174513289 1126854665 /nfs/dbraw/zinc/85/46/65/1126854665.db2.gz VINXVFXAYKMYFQ-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2cc(F)ccc2Br)CC1(C)C ZINC000623364040 1126931032 /nfs/dbraw/zinc/93/10/32/1126931032.db2.gz PYFAZZYOIGOOGQ-CYBMUJFWSA-N 2 1 329.257 3.551 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396398 1126943824 /nfs/dbraw/zinc/94/38/24/1126943824.db2.gz QZAVMMJZSFTUHH-AEFFLSMTSA-N 2 1 349.950 3.937 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623422180 1126950884 /nfs/dbraw/zinc/95/08/84/1126950884.db2.gz MLGZIEVFQWVVEE-INIZCTEOSA-N 2 1 334.467 3.878 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)CC1(C)C ZINC000623445172 1126957464 /nfs/dbraw/zinc/95/74/64/1126957464.db2.gz FXYGWPLPEBWFDE-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477670 1126968280 /nfs/dbraw/zinc/96/82/80/1126968280.db2.gz OMLLRWSZWYJLKG-KBPBESRZSA-N 2 1 339.886 3.520 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623532650 1126972572 /nfs/dbraw/zinc/97/25/72/1126972572.db2.gz AMXWYVFOORDYPB-GDBMZVCRSA-N 2 1 330.451 3.535 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623532650 1126972575 /nfs/dbraw/zinc/97/25/75/1126972575.db2.gz AMXWYVFOORDYPB-GDBMZVCRSA-N 2 1 330.451 3.535 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521930 1126974623 /nfs/dbraw/zinc/97/46/23/1126974623.db2.gz PKZMOXZWWDJERA-XJKSGUPXSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521930 1126974626 /nfs/dbraw/zinc/97/46/26/1126974626.db2.gz PKZMOXZWWDJERA-XJKSGUPXSA-N 2 1 345.314 3.879 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185710231 1126990133 /nfs/dbraw/zinc/99/01/33/1126990133.db2.gz GLGFEVUKTPCBLA-DBXWQHBBSA-N 2 1 330.516 3.579 20 0 EHADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656720 1127006647 /nfs/dbraw/zinc/00/66/47/1127006647.db2.gz AHKMLGYDJAFWGU-LEWJYISDSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656720 1127006651 /nfs/dbraw/zinc/00/66/51/1127006651.db2.gz AHKMLGYDJAFWGU-LEWJYISDSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656720 1127006655 /nfs/dbraw/zinc/00/66/55/1127006655.db2.gz AHKMLGYDJAFWGU-LEWJYISDSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656720 1127006658 /nfs/dbraw/zinc/00/66/58/1127006658.db2.gz AHKMLGYDJAFWGU-LEWJYISDSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656720 1127006662 /nfs/dbraw/zinc/00/66/62/1127006662.db2.gz AHKMLGYDJAFWGU-LEWJYISDSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757074 1127115694 /nfs/dbraw/zinc/11/56/94/1127115694.db2.gz NRQIAICQVMWOFV-CABCVRRESA-N 2 1 339.886 3.520 20 0 EHADMP CC[N@@H+](Cc1cccc2nccn21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582035 1127174645 /nfs/dbraw/zinc/17/46/45/1127174645.db2.gz CGOPOXJGGWNJHL-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP CC[N@H+](Cc1cccc2nccn21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582035 1127174647 /nfs/dbraw/zinc/17/46/47/1127174647.db2.gz CGOPOXJGGWNJHL-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cccc2nccn21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180582035 1127174648 /nfs/dbraw/zinc/17/46/48/1127174648.db2.gz CGOPOXJGGWNJHL-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cccc2nccn21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180582035 1127174649 /nfs/dbraw/zinc/17/46/49/1127174649.db2.gz CGOPOXJGGWNJHL-HXUWFJFHSA-N 2 1 348.494 3.678 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2C)C1 ZINC000623866941 1127206522 /nfs/dbraw/zinc/20/65/22/1127206522.db2.gz KICVBEINMNVQHI-ZIAGYGMSSA-N 2 1 325.294 3.750 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N[C@H]2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949892 1127218163 /nfs/dbraw/zinc/21/81/63/1127218163.db2.gz GVMZEPKOBDARDK-SCTDSRPQSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2N[C@H]2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949892 1127218166 /nfs/dbraw/zinc/21/81/66/1127218166.db2.gz GVMZEPKOBDARDK-SCTDSRPQSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@H]2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949892 1127218168 /nfs/dbraw/zinc/21/81/68/1127218168.db2.gz GVMZEPKOBDARDK-SCTDSRPQSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623949892 1127218170 /nfs/dbraw/zinc/21/81/70/1127218170.db2.gz GVMZEPKOBDARDK-SCTDSRPQSA-N 2 1 345.531 3.581 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000624054448 1127243911 /nfs/dbraw/zinc/24/39/11/1127243911.db2.gz DTJGTNBDPZQUMS-ZHRRBRCNSA-N 2 1 347.462 3.973 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000624095819 1127249574 /nfs/dbraw/zinc/24/95/74/1127249574.db2.gz NEAPDKRCHWUFCM-KBXCAEBGSA-N 2 1 348.441 3.561 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121376 1127257024 /nfs/dbraw/zinc/25/70/24/1127257024.db2.gz UXGZBUFBLBRTHV-DLBZAZTESA-N 2 1 346.519 3.599 20 0 EHADMP C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181933620 1127304065 /nfs/dbraw/zinc/30/40/65/1127304065.db2.gz RWQCVWFYTAGNRR-LJQANCHMSA-N 2 1 346.515 3.562 20 0 EHADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181933620 1127304068 /nfs/dbraw/zinc/30/40/68/1127304068.db2.gz RWQCVWFYTAGNRR-LJQANCHMSA-N 2 1 346.515 3.562 20 0 EHADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181933620 1127304073 /nfs/dbraw/zinc/30/40/73/1127304073.db2.gz RWQCVWFYTAGNRR-LJQANCHMSA-N 2 1 346.515 3.562 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000361365162 1127348657 /nfs/dbraw/zinc/34/86/57/1127348657.db2.gz JQDUGUSPXDEEBV-BVOGOJNSSA-N 2 1 342.527 3.977 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C12CCC2 ZINC000361365162 1127348662 /nfs/dbraw/zinc/34/86/62/1127348662.db2.gz JQDUGUSPXDEEBV-BVOGOJNSSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000183322955 1127371863 /nfs/dbraw/zinc/37/18/63/1127371863.db2.gz JVFZSBJMIPDOOB-PBFPGSCMSA-N 2 1 345.314 3.828 20 0 EHADMP CCOc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185701314 1127430017 /nfs/dbraw/zinc/43/00/17/1127430017.db2.gz SRFAGOIGECRNRS-QZTJIDSGSA-N 2 1 346.515 3.707 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCO2 ZINC000764762107 1127530186 /nfs/dbraw/zinc/53/01/86/1127530186.db2.gz LIZFBSSPVMHULD-KRWDZBQOSA-N 2 1 336.479 3.721 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCO2 ZINC000764762107 1127530189 /nfs/dbraw/zinc/53/01/89/1127530189.db2.gz LIZFBSSPVMHULD-KRWDZBQOSA-N 2 1 336.479 3.721 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCCC2 ZINC000386003047 1127618353 /nfs/dbraw/zinc/61/83/53/1127618353.db2.gz UCWMNOPVSVDXRF-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000386610206 1127705349 /nfs/dbraw/zinc/70/53/49/1127705349.db2.gz MMHRRIPVEQKYTO-QFBILLFUSA-N 2 1 342.458 3.835 20 0 EHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(Cl)ccc1OC(F)F ZINC001168553604 1127751447 /nfs/dbraw/zinc/75/14/47/1127751447.db2.gz UUTLGXXEAFHDTR-NSHDSACASA-N 2 1 343.805 3.958 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)[C@@H](C)C1 ZINC000624290037 1127786440 /nfs/dbraw/zinc/78/64/40/1127786440.db2.gz UPPJNGSFKHHAQZ-YVEFUNNKSA-N 2 1 337.870 3.823 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000624330055 1128056654 /nfs/dbraw/zinc/05/66/54/1128056654.db2.gz NGFUQHXYBMPAQN-UYAOXDASSA-N 2 1 348.918 3.950 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166290977 1128174481 /nfs/dbraw/zinc/17/44/81/1128174481.db2.gz XZPPBJMINUTOST-RBSFLKMASA-N 2 1 342.405 3.689 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000671739335 1128175362 /nfs/dbraw/zinc/17/53/62/1128175362.db2.gz XQLDIBKJVKMPDM-ULQDDVLXSA-N 2 1 326.406 3.710 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000623657811 1128452512 /nfs/dbraw/zinc/45/25/12/1128452512.db2.gz ZNCSPPPMGWWNNA-QGZVFWFLSA-N 2 1 349.950 3.626 20 0 EHADMP Fc1cccc(Oc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)c1 ZINC000166414295 1128460985 /nfs/dbraw/zinc/46/09/85/1128460985.db2.gz DUBSWLKNRRECCW-QZTJIDSGSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)c1 ZINC000166414295 1128460992 /nfs/dbraw/zinc/46/09/92/1128460992.db2.gz DUBSWLKNRRECCW-QZTJIDSGSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)c1 ZINC000166414295 1128460997 /nfs/dbraw/zinc/46/09/97/1128460997.db2.gz DUBSWLKNRRECCW-QZTJIDSGSA-N 2 1 341.430 3.729 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001648817144 1120048392 /nfs/dbraw/zinc/04/83/92/1120048392.db2.gz WMEUKTOWGTWXNP-OAHLLOKOSA-N 2 1 339.474 3.633 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000075780437 1120070313 /nfs/dbraw/zinc/07/03/13/1120070313.db2.gz IWDDEMSIFUEBEH-NSHDSACASA-N 2 1 330.806 3.515 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000075780437 1120070317 /nfs/dbraw/zinc/07/03/17/1120070317.db2.gz IWDDEMSIFUEBEH-NSHDSACASA-N 2 1 330.806 3.515 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000084664908 1120148393 /nfs/dbraw/zinc/14/83/93/1120148393.db2.gz OGLJZZLKWXDQHI-UHFFFAOYSA-N 2 1 332.498 3.947 20 0 EHADMP Cc1ccc([C@H]2CCCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000191505179 1120676442 /nfs/dbraw/zinc/67/64/42/1120676442.db2.gz KREDGSYYMVFHIB-HXUWFJFHSA-N 2 1 347.547 3.921 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192056140 1120709226 /nfs/dbraw/zinc/70/92/26/1120709226.db2.gz ARHPTWOBGCBABO-MSOLQXFVSA-N 2 1 333.863 3.745 20 0 EHADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000192750458 1120747119 /nfs/dbraw/zinc/74/71/19/1120747119.db2.gz CQBPPCMWSIPBMU-AZUAARDMSA-N 2 1 347.547 3.777 20 0 EHADMP CC[NH+](CC)[C@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)CC(C)C ZINC000494880539 1120891569 /nfs/dbraw/zinc/89/15/69/1120891569.db2.gz DLMXLBJKNOBHCU-ABHNRTSZSA-N 2 1 336.524 3.750 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000495432608 1121195964 /nfs/dbraw/zinc/19/59/64/1121195964.db2.gz JRFNNPUVECAKRJ-GZMOKQHVSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000237350634 1121480681 /nfs/dbraw/zinc/48/06/81/1121480681.db2.gz KXZONKZCFPWDGF-MRXNPFEDSA-N 2 1 329.488 3.519 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150979 1121547588 /nfs/dbraw/zinc/54/75/88/1121547588.db2.gz MOIRFAUWTCZQFL-GXTWGEPZSA-N 2 1 325.294 3.599 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150979 1121547595 /nfs/dbraw/zinc/54/75/95/1121547595.db2.gz MOIRFAUWTCZQFL-GXTWGEPZSA-N 2 1 325.294 3.599 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398037478 1121963452 /nfs/dbraw/zinc/96/34/52/1121963452.db2.gz QLSKGTWEDIXGRX-GCJKJVERSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398037478 1121963456 /nfs/dbraw/zinc/96/34/56/1121963456.db2.gz QLSKGTWEDIXGRX-GCJKJVERSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763414314 1122232055 /nfs/dbraw/zinc/23/20/55/1122232055.db2.gz IRWAMBMBFCCGLU-LFGUQSLTSA-N 2 1 342.483 3.734 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763414314 1122232062 /nfs/dbraw/zinc/23/20/62/1122232062.db2.gz IRWAMBMBFCCGLU-LFGUQSLTSA-N 2 1 342.483 3.734 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000125223682 1122308897 /nfs/dbraw/zinc/30/88/97/1122308897.db2.gz CPJXQCAWGVTZER-UHFFFAOYSA-N 2 1 326.431 3.821 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000125223682 1122308904 /nfs/dbraw/zinc/30/89/04/1122308904.db2.gz CPJXQCAWGVTZER-UHFFFAOYSA-N 2 1 326.431 3.821 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000126537144 1122411461 /nfs/dbraw/zinc/41/14/61/1122411461.db2.gz QICYJCBLBVYYPV-KSSFIOAISA-N 2 1 334.891 3.936 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000126536898 1122411738 /nfs/dbraw/zinc/41/17/38/1122411738.db2.gz GYJGRISTIWMMLF-IERDGZPVSA-N 2 1 340.511 3.853 20 0 EHADMP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000917014140 1122438699 /nfs/dbraw/zinc/43/86/99/1122438699.db2.gz UOJMRFMCUISLAN-WOJBJXKFSA-N 2 1 330.516 3.578 20 0 EHADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000917014140 1122438705 /nfs/dbraw/zinc/43/87/05/1122438705.db2.gz UOJMRFMCUISLAN-WOJBJXKFSA-N 2 1 330.516 3.578 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000127145598 1122465727 /nfs/dbraw/zinc/46/57/27/1122465727.db2.gz GTRZOMLIVYTGGY-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000127406748 1122482536 /nfs/dbraw/zinc/48/25/36/1122482536.db2.gz NVBAZQZQNBGMLO-UHFFFAOYSA-N 2 1 327.350 3.612 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000127406748 1122482538 /nfs/dbraw/zinc/48/25/38/1122482538.db2.gz NVBAZQZQNBGMLO-UHFFFAOYSA-N 2 1 327.350 3.612 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@@H]1c1ccccc1 ZINC000556093518 1122809415 /nfs/dbraw/zinc/80/94/15/1122809415.db2.gz KHLSHUDVVWSZFX-LEWJYISDSA-N 2 1 336.479 3.589 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@@H]1c1ccccc1 ZINC000556093518 1122809420 /nfs/dbraw/zinc/80/94/20/1122809420.db2.gz KHLSHUDVVWSZFX-LEWJYISDSA-N 2 1 336.479 3.589 20 0 EHADMP C[N@H+]1CC[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000556178893 1122861915 /nfs/dbraw/zinc/86/19/15/1122861915.db2.gz OQRPYTCDBJWKKQ-UXHICEINSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000556235921 1122887453 /nfs/dbraw/zinc/88/74/53/1122887453.db2.gz JBPPRBSLAUCUHJ-KPQWGBOZSA-N 3 1 343.559 3.751 20 0 EHADMP CN(CCCn1ccnc1)Cc1cc(Br)ccc1Cl ZINC000130372791 1122946020 /nfs/dbraw/zinc/94/60/20/1122946020.db2.gz IKZDOYHEWSBFBN-UHFFFAOYSA-N 2 1 342.668 3.821 20 0 EHADMP C[NH2+]C1CCC([N@H+](C)Cc2c(Br)ccc(F)c2F)CC1 ZINC001236211931 1123086962 /nfs/dbraw/zinc/08/69/62/1123086962.db2.gz AJHZDXXASPLSHV-UHFFFAOYSA-N 2 1 347.247 3.690 20 0 EHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(Br)ccc(F)c2F)CC1 ZINC001236211931 1123086967 /nfs/dbraw/zinc/08/69/67/1123086967.db2.gz AJHZDXXASPLSHV-UHFFFAOYSA-N 2 1 347.247 3.690 20 0 EHADMP CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556870128 1123160308 /nfs/dbraw/zinc/16/03/08/1123160308.db2.gz DAPNDGQFYSILFQ-PSWRPDDJSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000131704659 1123168892 /nfs/dbraw/zinc/16/88/92/1123168892.db2.gz PHBMASGCEKGFPR-UHFFFAOYSA-N 2 1 342.487 3.819 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000131704659 1123168895 /nfs/dbraw/zinc/16/88/95/1123168895.db2.gz PHBMASGCEKGFPR-UHFFFAOYSA-N 2 1 342.487 3.819 20 0 EHADMP CCOC1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000691205556 1123169497 /nfs/dbraw/zinc/16/94/97/1123169497.db2.gz OJRIKENJSQJZRE-CBNMVNINSA-N 2 1 330.516 3.836 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860820 1123170434 /nfs/dbraw/zinc/17/04/34/1123170434.db2.gz DIZLRBAKGIJOLZ-GOSISDBHSA-N 2 1 348.494 3.775 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860820 1123170441 /nfs/dbraw/zinc/17/04/41/1123170441.db2.gz DIZLRBAKGIJOLZ-GOSISDBHSA-N 2 1 348.494 3.775 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860820 1123170444 /nfs/dbraw/zinc/17/04/44/1123170444.db2.gz DIZLRBAKGIJOLZ-GOSISDBHSA-N 2 1 348.494 3.775 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000072860820 1123170448 /nfs/dbraw/zinc/17/04/48/1123170448.db2.gz DIZLRBAKGIJOLZ-GOSISDBHSA-N 2 1 348.494 3.775 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000557010269 1123264974 /nfs/dbraw/zinc/26/49/74/1123264974.db2.gz WQDDNXFCWOKLAQ-UXHICEINSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000557010269 1123264975 /nfs/dbraw/zinc/26/49/75/1123264975.db2.gz WQDDNXFCWOKLAQ-UXHICEINSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000557010269 1123264977 /nfs/dbraw/zinc/26/49/77/1123264977.db2.gz WQDDNXFCWOKLAQ-UXHICEINSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000557010269 1123264978 /nfs/dbraw/zinc/26/49/78/1123264978.db2.gz WQDDNXFCWOKLAQ-UXHICEINSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000557010269 1123264981 /nfs/dbraw/zinc/26/49/81/1123264981.db2.gz WQDDNXFCWOKLAQ-UXHICEINSA-N 2 1 330.516 3.646 20 0 EHADMP c1ccc(CCOCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134924995 1123565462 /nfs/dbraw/zinc/56/54/62/1123565462.db2.gz GHEBYEUQQXSARC-IFMALSPDSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134924995 1123565466 /nfs/dbraw/zinc/56/54/66/1123565466.db2.gz GHEBYEUQQXSARC-IFMALSPDSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(CCOCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134924995 1123565469 /nfs/dbraw/zinc/56/54/69/1123565469.db2.gz GHEBYEUQQXSARC-IFMALSPDSA-N 2 1 342.527 3.585 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135151389 1123587034 /nfs/dbraw/zinc/58/70/34/1123587034.db2.gz CZEYKTOKPNMMBC-NSHDSACASA-N 2 1 331.685 3.534 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000135151389 1123587039 /nfs/dbraw/zinc/58/70/39/1123587039.db2.gz CZEYKTOKPNMMBC-NSHDSACASA-N 2 1 331.685 3.534 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245638527 1123906124 /nfs/dbraw/zinc/90/61/24/1123906124.db2.gz WOEQRAVMKIXRQI-PWRODBHTSA-N 2 1 342.527 3.964 20 0 EHADMP CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000245668057 1123917675 /nfs/dbraw/zinc/91/76/75/1123917675.db2.gz GXSHDGZBGDJODD-IYWMVGAKSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H]1CCC[N@@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245715965 1123935088 /nfs/dbraw/zinc/93/50/88/1123935088.db2.gz NZGBZIVJSZWYGJ-JKLQHZFJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1CCC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245715965 1123935091 /nfs/dbraw/zinc/93/50/91/1123935091.db2.gz NZGBZIVJSZWYGJ-JKLQHZFJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1CCC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245715965 1123935095 /nfs/dbraw/zinc/93/50/95/1123935095.db2.gz NZGBZIVJSZWYGJ-JKLQHZFJSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000245857849 1123962001 /nfs/dbraw/zinc/96/20/01/1123962001.db2.gz NXXHEVQSXNQQLC-MSOLQXFVSA-N 2 1 346.563 3.804 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245858982 1123963861 /nfs/dbraw/zinc/96/38/61/1123963861.db2.gz HPRNVWSKAZJRAQ-VAMGGRTRSA-N 2 1 330.516 3.820 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)nc1-c1ccccc1 ZINC000246468319 1124474708 /nfs/dbraw/zinc/47/47/08/1124474708.db2.gz QHJIMPZHOBDYAM-RVKKMQEKSA-N 2 1 343.540 3.979 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)cc1)C(C)C ZINC000617350886 1124493919 /nfs/dbraw/zinc/49/39/19/1124493919.db2.gz FGCYOYXDQZEDLG-IBGZPJMESA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1)C(C)C ZINC000617350886 1124493923 /nfs/dbraw/zinc/49/39/23/1124493923.db2.gz FGCYOYXDQZEDLG-IBGZPJMESA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1)C(C)C ZINC000617350886 1124493931 /nfs/dbraw/zinc/49/39/31/1124493931.db2.gz FGCYOYXDQZEDLG-IBGZPJMESA-N 2 1 345.531 3.520 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247177308 1124592323 /nfs/dbraw/zinc/59/23/23/1124592323.db2.gz UYTMPRGKKUMLMC-CHWSQXEVSA-N 2 1 330.394 3.810 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247177308 1124592329 /nfs/dbraw/zinc/59/23/29/1124592329.db2.gz UYTMPRGKKUMLMC-CHWSQXEVSA-N 2 1 330.394 3.810 20 0 EHADMP Cc1cc2cc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)oc2cc1C ZINC000247966984 1124631705 /nfs/dbraw/zinc/63/17/05/1124631705.db2.gz GYNJLYOICNFTCO-HKUYNNGSSA-N 2 1 344.499 3.937 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000248060204 1124637563 /nfs/dbraw/zinc/63/75/63/1124637563.db2.gz YDVUNBYTQLFXNA-IAGOWNOFSA-N 2 1 345.487 3.558 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397839 1124655813 /nfs/dbraw/zinc/65/58/13/1124655813.db2.gz IGGUXXBREOALCI-UXLLHSPISA-N 2 1 330.472 3.719 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000248967491 1124723039 /nfs/dbraw/zinc/72/30/39/1124723039.db2.gz CSPWIBMKOPMRNT-NEWSRXKRSA-N 2 1 342.527 3.795 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccnn1C ZINC000249053844 1124731411 /nfs/dbraw/zinc/73/14/11/1124731411.db2.gz YEQZCYAAISYUTO-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000649418262 1124736679 /nfs/dbraw/zinc/73/66/79/1124736679.db2.gz QTTGCLLNPWQFOB-RTBURBONSA-N 2 1 339.483 3.862 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)cn1 ZINC000181540562 1124920508 /nfs/dbraw/zinc/92/05/08/1124920508.db2.gz XMISCGNLPTWLJZ-MSOLQXFVSA-N 2 1 342.487 3.505 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000091336524 1124977461 /nfs/dbraw/zinc/97/74/61/1124977461.db2.gz QOCYTIUOOHGQIX-WIYYLYMNSA-N 2 1 348.506 3.884 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742294 1125298760 /nfs/dbraw/zinc/29/87/60/1125298760.db2.gz CIPJYRLCYNAXQK-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742294 1125298766 /nfs/dbraw/zinc/29/87/66/1125298766.db2.gz CIPJYRLCYNAXQK-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742294 1125298773 /nfs/dbraw/zinc/29/87/73/1125298773.db2.gz CIPJYRLCYNAXQK-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000093742294 1125298778 /nfs/dbraw/zinc/29/87/78/1125298778.db2.gz CIPJYRLCYNAXQK-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000152895025 1125393664 /nfs/dbraw/zinc/39/36/64/1125393664.db2.gz JAYZKPCJVOMKBH-QUCCMNQESA-N 2 1 329.532 3.551 20 0 EHADMP COCc1csc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000657384005 1129284802 /nfs/dbraw/zinc/28/48/02/1129284802.db2.gz PJHOBGGLKIFHRX-MRXNPFEDSA-N 2 1 332.513 3.895 20 0 EHADMP COCc1csc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000657384005 1129284805 /nfs/dbraw/zinc/28/48/05/1129284805.db2.gz PJHOBGGLKIFHRX-MRXNPFEDSA-N 2 1 332.513 3.895 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000157648777 1129301922 /nfs/dbraw/zinc/30/19/22/1129301922.db2.gz CHVADIGADOVXNA-OALUTQOASA-N 3 1 343.559 3.738 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC[N@H+]1C ZINC000499708462 1129387428 /nfs/dbraw/zinc/38/74/28/1129387428.db2.gz UJTMQIYKJAEXPT-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000657526629 1129410748 /nfs/dbraw/zinc/41/07/48/1129410748.db2.gz JUXFJZQLEVBSKV-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526629 1129410750 /nfs/dbraw/zinc/41/07/50/1129410750.db2.gz JUXFJZQLEVBSKV-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526629 1129410752 /nfs/dbraw/zinc/41/07/52/1129410752.db2.gz JUXFJZQLEVBSKV-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168725023 1129501845 /nfs/dbraw/zinc/50/18/45/1129501845.db2.gz AUSXTRKGIZIRDG-MRXNPFEDSA-N 2 1 341.886 3.750 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000673958224 1129920774 /nfs/dbraw/zinc/92/07/74/1129920774.db2.gz QJQHYCGCRZFNHD-UHFFFAOYSA-N 2 1 343.446 3.975 20 0 EHADMP CCOC1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657965956 1129927943 /nfs/dbraw/zinc/92/79/43/1129927943.db2.gz DOKGOBOYELAALY-IDGBJLRDSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCSCC1 ZINC000174451301 1130359512 /nfs/dbraw/zinc/35/95/12/1130359512.db2.gz VWQZICAAOVVNRY-UHFFFAOYSA-N 2 1 330.497 3.897 20 0 EHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1nccn1C ZINC000658339402 1130401204 /nfs/dbraw/zinc/40/12/04/1130401204.db2.gz RLQAXUBFAMAKBW-IVMQYODDSA-N 2 1 326.488 3.514 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493424 1130414407 /nfs/dbraw/zinc/41/44/07/1130414407.db2.gz ICQJELFQWWPVPM-QHAWAJNXSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493424 1130414410 /nfs/dbraw/zinc/41/44/10/1130414410.db2.gz ICQJELFQWWPVPM-QHAWAJNXSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493424 1130414413 /nfs/dbraw/zinc/41/44/13/1130414413.db2.gz ICQJELFQWWPVPM-QHAWAJNXSA-N 2 1 330.516 3.961 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675881487 1130500215 /nfs/dbraw/zinc/50/02/15/1130500215.db2.gz MDYVUGXFLVCZRT-FSSWDIPSSA-N 2 1 342.527 3.946 20 0 EHADMP CSC1(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000348047514 1131137305 /nfs/dbraw/zinc/13/73/05/1131137305.db2.gz ULKVHFARUQJBGE-UHFFFAOYSA-N 2 1 330.497 3.897 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000738088719 1131460536 /nfs/dbraw/zinc/46/05/36/1131460536.db2.gz GYODBFLSKZJJLM-UHFFFAOYSA-N 2 1 326.488 3.560 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885046 1131554479 /nfs/dbraw/zinc/55/44/79/1131554479.db2.gz YKHBLPNOHOJNAH-CRAIPNDOSA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885046 1131554482 /nfs/dbraw/zinc/55/44/82/1131554482.db2.gz YKHBLPNOHOJNAH-CRAIPNDOSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885046 1131554485 /nfs/dbraw/zinc/55/44/85/1131554485.db2.gz YKHBLPNOHOJNAH-CRAIPNDOSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885046 1131554487 /nfs/dbraw/zinc/55/44/87/1131554487.db2.gz YKHBLPNOHOJNAH-CRAIPNDOSA-N 2 1 342.483 3.714 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000180121770 1131643631 /nfs/dbraw/zinc/64/36/31/1131643631.db2.gz QPTWHCBPUFAZSE-HOTGVXAUSA-N 2 1 326.488 3.943 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000741788000 1131648664 /nfs/dbraw/zinc/64/86/64/1131648664.db2.gz QNLWHMKYGIGFBD-QKNQBKEWSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000741788000 1131648668 /nfs/dbraw/zinc/64/86/68/1131648668.db2.gz QNLWHMKYGIGFBD-QKNQBKEWSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000741788000 1131648674 /nfs/dbraw/zinc/64/86/74/1131648674.db2.gz QNLWHMKYGIGFBD-QKNQBKEWSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000741788000 1131648677 /nfs/dbraw/zinc/64/86/77/1131648677.db2.gz QNLWHMKYGIGFBD-QKNQBKEWSA-N 2 1 330.516 3.615 20 0 EHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H](CC)CC(C)C)CC2)CC1 ZINC001172394979 1131730766 /nfs/dbraw/zinc/73/07/66/1131730766.db2.gz ATNDUOXSPDIWGU-SFHVURJKSA-N 2 1 338.536 3.551 20 0 EHADMP CC[C@@H](CC(C)C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001172397052 1131731056 /nfs/dbraw/zinc/73/10/56/1131731056.db2.gz XWWKCLBLMHNOIT-OALUTQOASA-N 2 1 334.504 3.642 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172772570 1131841458 /nfs/dbraw/zinc/84/14/58/1131841458.db2.gz MTKAZWDAGOMZMW-QZTJIDSGSA-N 2 1 326.525 3.600 20 0 EHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172778486 1131844117 /nfs/dbraw/zinc/84/41/17/1131844117.db2.gz MPSWXUVABRWPDN-BRSBDYLESA-N 2 1 338.536 3.726 20 0 EHADMP CCC[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC(C)(C)C ZINC001173108121 1131969003 /nfs/dbraw/zinc/96/90/03/1131969003.db2.gz YCXZCSIXOOHOPK-JCYILVPMSA-N 2 1 326.525 3.739 20 0 EHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173206142 1132011762 /nfs/dbraw/zinc/01/17/62/1132011762.db2.gz NXWYOGVMGMGAAR-FUUYNRHESA-N 2 1 328.500 3.650 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173206142 1132011768 /nfs/dbraw/zinc/01/17/68/1132011768.db2.gz NXWYOGVMGMGAAR-FUUYNRHESA-N 2 1 328.500 3.650 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173206142 1132011773 /nfs/dbraw/zinc/01/17/73/1132011773.db2.gz NXWYOGVMGMGAAR-FUUYNRHESA-N 2 1 328.500 3.650 20 0 EHADMP C(C1CCOCC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173343217 1132055848 /nfs/dbraw/zinc/05/58/48/1132055848.db2.gz HDWWEBXUKYQBRC-VQTJNVASSA-N 2 1 334.548 3.970 20 0 EHADMP C(C1CCOCC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173343217 1132055855 /nfs/dbraw/zinc/05/58/55/1132055855.db2.gz HDWWEBXUKYQBRC-VQTJNVASSA-N 2 1 334.548 3.970 20 0 EHADMP CC[NH+]1CCC([NH2+]C2CCC(c3ccc(OC(C)=O)cc3)CC2)CC1 ZINC001173781616 1132146533 /nfs/dbraw/zinc/14/65/33/1132146533.db2.gz OZPGYLANJAAOGI-UHFFFAOYSA-N 2 1 344.499 3.712 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379645648 1132198375 /nfs/dbraw/zinc/19/83/75/1132198375.db2.gz IFGXTVXURDWRPP-HIFRSBDPSA-N 2 1 332.435 3.882 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379645648 1132198378 /nfs/dbraw/zinc/19/83/78/1132198378.db2.gz IFGXTVXURDWRPP-HIFRSBDPSA-N 2 1 332.435 3.882 20 0 EHADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1c1ccccc1 ZINC000766331025 1132240025 /nfs/dbraw/zinc/24/00/25/1132240025.db2.gz ZHIYKJKNCUEWPP-PWRODBHTSA-N 2 1 342.527 3.802 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379635003 1132436357 /nfs/dbraw/zinc/43/63/57/1132436357.db2.gz VWCMMYLDNCGIFU-NVXWUHKLSA-N 2 1 344.421 3.598 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379635003 1132436360 /nfs/dbraw/zinc/43/63/60/1132436360.db2.gz VWCMMYLDNCGIFU-NVXWUHKLSA-N 2 1 344.421 3.598 20 0 EHADMP C[C@H]1C[C@H](NCc2nn(C)c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000379655408 1132436996 /nfs/dbraw/zinc/43/69/96/1132436996.db2.gz LPRSMOBANQCEBJ-PKOBYXMFSA-N 2 1 348.494 3.716 20 0 EHADMP CCCC[N@@H+](CC1(CC(=O)OC)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983190 1132535620 /nfs/dbraw/zinc/53/56/20/1132535620.db2.gz FOXWGYAQZFACKV-UHFFFAOYSA-N 2 1 338.536 3.741 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cnn1-c1ccccc1 ZINC000766477753 1132555492 /nfs/dbraw/zinc/55/54/92/1132555492.db2.gz ITOSQDAEEGVTID-KVSKMBFKSA-N 2 1 326.488 3.704 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101101 1132655362 /nfs/dbraw/zinc/65/53/62/1132655362.db2.gz OKYDBJLRPUMBAQ-HAGHYFMRSA-N 2 1 332.463 3.508 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC(F)(F)F)cc1 ZINC001169099548 1132655697 /nfs/dbraw/zinc/65/56/97/1132655697.db2.gz BANSFUMEWPAQMZ-REBRKWNGSA-N 2 1 328.378 3.861 20 0 EHADMP CC[C@H]1CN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001169103169 1132655823 /nfs/dbraw/zinc/65/58/23/1132655823.db2.gz SXNOCHDGJMXIAI-VWPQPMDRSA-N 2 1 343.559 3.561 20 0 EHADMP CC[C@H]1CN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001169103169 1132655828 /nfs/dbraw/zinc/65/58/28/1132655828.db2.gz SXNOCHDGJMXIAI-VWPQPMDRSA-N 2 1 343.559 3.561 20 0 EHADMP CC[C@H]1CN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001169103169 1132655831 /nfs/dbraw/zinc/65/58/31/1132655831.db2.gz SXNOCHDGJMXIAI-VWPQPMDRSA-N 2 1 343.559 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001169099702 1132656128 /nfs/dbraw/zinc/65/61/28/1132656128.db2.gz DXSVHUPJQFROJL-BJWYYQGGSA-N 2 1 326.406 3.853 20 0 EHADMP CSc1c[nH]c2nc[nH+]c(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)c12 ZINC001169148760 1132678070 /nfs/dbraw/zinc/67/80/70/1132678070.db2.gz YCVBQRZMMJQLRD-APPDUMDISA-N 2 1 333.505 3.635 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162977 1132684498 /nfs/dbraw/zinc/68/44/98/1132684498.db2.gz WAZHXMHJGZIBDA-DLRJPAPCSA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162977 1132684500 /nfs/dbraw/zinc/68/45/00/1132684500.db2.gz WAZHXMHJGZIBDA-DLRJPAPCSA-N 2 1 328.475 3.731 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162977 1132684504 /nfs/dbraw/zinc/68/45/04/1132684504.db2.gz WAZHXMHJGZIBDA-DLRJPAPCSA-N 2 1 328.475 3.731 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2Br)CCC[C@H]1C[NH3+] ZINC001206003415 1132685986 /nfs/dbraw/zinc/68/59/86/1132685986.db2.gz HRILYACFQCRTQG-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169274815 1132713136 /nfs/dbraw/zinc/71/31/36/1132713136.db2.gz KFKFPLPPVBEULQ-UHFFFAOYSA-N 2 1 346.515 3.866 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206022807 1132875928 /nfs/dbraw/zinc/87/59/28/1132875928.db2.gz CVCNWLJGTDEJFM-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206022807 1132875918 /nfs/dbraw/zinc/87/59/18/1132875918.db2.gz CVCNWLJGTDEJFM-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001206304506 1133069245 /nfs/dbraw/zinc/06/92/45/1133069245.db2.gz LUDYHROJXOZCGM-OAHLLOKOSA-N 2 1 329.257 3.539 20 0 EHADMP Cc1c(Cl)ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1Cl ZINC001177864923 1133108467 /nfs/dbraw/zinc/10/84/67/1133108467.db2.gz SPWWTPWCPWOJDF-OAHLLOKOSA-N 2 1 345.314 3.628 20 0 EHADMP C[C@H](CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001178463614 1133170876 /nfs/dbraw/zinc/17/08/76/1133170876.db2.gz RZHVDXORYYPICJ-SFHLNBCPSA-N 2 1 329.532 3.676 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC001178916184 1133211571 /nfs/dbraw/zinc/21/15/71/1133211571.db2.gz BBTNEFHVNZVSNE-LBPRGKRZSA-N 2 1 334.357 3.546 20 0 EHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC001179123024 1133230296 /nfs/dbraw/zinc/23/02/96/1133230296.db2.gz KZORGWQUMNCRIR-HKBOAZHASA-N 2 1 330.516 3.558 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(Cl)c1N ZINC001179338528 1133246430 /nfs/dbraw/zinc/24/64/30/1133246430.db2.gz IPAPKUKCASBFIR-CRAIPNDOSA-N 2 1 343.902 3.780 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817223 1133286995 /nfs/dbraw/zinc/28/69/95/1133286995.db2.gz OYVPWMDTZXHODB-WBAXXEDZSA-N 2 1 330.472 3.984 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897848 1133293952 /nfs/dbraw/zinc/29/39/52/1133293952.db2.gz ABAJMTDSEOMSFX-SJLPKXTDSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897848 1133293957 /nfs/dbraw/zinc/29/39/57/1133293957.db2.gz ABAJMTDSEOMSFX-SJLPKXTDSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897848 1133293959 /nfs/dbraw/zinc/29/39/59/1133293959.db2.gz ABAJMTDSEOMSFX-SJLPKXTDSA-N 2 1 348.531 3.786 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000769497691 1133301619 /nfs/dbraw/zinc/30/16/19/1133301619.db2.gz ZWWHLBCTSCGVLP-IAGOWNOFSA-N 2 1 346.515 3.789 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC001180083121 1133327397 /nfs/dbraw/zinc/32/73/97/1133327397.db2.gz XROQYFCBCGNIKZ-APWZRJJASA-N 2 1 338.923 3.876 20 0 EHADMP CC1(C)CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001180310238 1133354717 /nfs/dbraw/zinc/35/47/17/1133354717.db2.gz BGFNNEVDOJFBCY-PMACEKPBSA-N 2 1 330.516 3.702 20 0 EHADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnc1N1CCCC[C@@H]1C ZINC000774354063 1133668801 /nfs/dbraw/zinc/66/88/01/1133668801.db2.gz KTJZWXDFNLWWSO-WELJNPPOSA-N 2 1 328.504 3.806 20 0 EHADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c[nH+]c1N1CCCC[C@@H]1C ZINC000774354063 1133668804 /nfs/dbraw/zinc/66/88/04/1133668804.db2.gz KTJZWXDFNLWWSO-WELJNPPOSA-N 2 1 328.504 3.806 20 0 EHADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c[nH+]c1N1CCCC[C@@H]1C ZINC000774354063 1133668808 /nfs/dbraw/zinc/66/88/08/1133668808.db2.gz KTJZWXDFNLWWSO-WELJNPPOSA-N 2 1 328.504 3.806 20 0 EHADMP CNc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695522 1133841981 /nfs/dbraw/zinc/84/19/81/1133841981.db2.gz GAXVXPFZJKXVFH-IRLDBZIGSA-N 2 1 335.495 3.682 20 0 EHADMP CNc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695522 1133841988 /nfs/dbraw/zinc/84/19/88/1133841988.db2.gz GAXVXPFZJKXVFH-IRLDBZIGSA-N 2 1 335.495 3.682 20 0 EHADMP CNc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695522 1133841997 /nfs/dbraw/zinc/84/19/97/1133841997.db2.gz GAXVXPFZJKXVFH-IRLDBZIGSA-N 2 1 335.495 3.682 20 0 EHADMP CNc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695522 1133842005 /nfs/dbraw/zinc/84/20/05/1133842005.db2.gz GAXVXPFZJKXVFH-IRLDBZIGSA-N 2 1 335.495 3.682 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184387465 1133933659 /nfs/dbraw/zinc/93/36/59/1133933659.db2.gz KRXMODMSMREDEZ-JWZBEHFJSA-N 2 1 326.406 3.566 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC001184388197 1133933952 /nfs/dbraw/zinc/93/39/52/1133933952.db2.gz PATMVWGUBBCDRL-QIJZBDPFSA-N 2 1 326.406 3.739 20 0 EHADMP CC(C)CCC[C@H](C)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001170069435 1133964626 /nfs/dbraw/zinc/96/46/26/1133964626.db2.gz OFVFOYIIAFNHOU-INIZCTEOSA-N 2 1 341.540 3.519 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc[nH]c(=O)c1 ZINC000788527696 1134143928 /nfs/dbraw/zinc/14/39/28/1134143928.db2.gz NZLGGQRWQUZEIX-IRXDYDNUSA-N 2 1 339.483 3.870 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000788804702 1134172432 /nfs/dbraw/zinc/17/24/32/1134172432.db2.gz JIEOWIMLHCHCQX-UHFFFAOYSA-N 2 1 327.447 3.754 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001186285041 1134192801 /nfs/dbraw/zinc/19/28/01/1134192801.db2.gz MXGGKYRXXNBNFL-CQSZACIVSA-N 2 1 327.394 3.731 20 0 EHADMP C[NH+](C)CCCn1cc(Nc2ccc([NH+]3CCCCCC3)cc2)cn1 ZINC001187118037 1134295784 /nfs/dbraw/zinc/29/57/84/1134295784.db2.gz RJKIKHORUCGCFV-UHFFFAOYSA-N 2 1 341.503 3.959 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775360659 1134665505 /nfs/dbraw/zinc/66/55/05/1134665505.db2.gz AEQGHMGFIDXVLA-BRWVUGGUSA-N 2 1 328.591 3.610 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775360661 1134665540 /nfs/dbraw/zinc/66/55/40/1134665540.db2.gz AEQGHMGFIDXVLA-IKGGRYGDSA-N 2 1 328.591 3.610 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775378465 1134692723 /nfs/dbraw/zinc/69/27/23/1134692723.db2.gz JVJKBJQBCSSGSU-BPKGMFCQSA-N 2 1 342.618 3.712 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775378465 1134692727 /nfs/dbraw/zinc/69/27/27/1134692727.db2.gz JVJKBJQBCSSGSU-BPKGMFCQSA-N 2 1 342.618 3.712 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000775385084 1134695961 /nfs/dbraw/zinc/69/59/61/1134695961.db2.gz IWPPFZGIIIVXKV-SQNIBIBYSA-N 2 1 336.570 3.608 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC001170194441 1134710667 /nfs/dbraw/zinc/71/06/67/1134710667.db2.gz XLQJKQWEAHQSMV-GFOJFJKKSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001170262572 1134726525 /nfs/dbraw/zinc/72/65/25/1134726525.db2.gz BYDRCGDCBPWJBL-INIZCTEOSA-N 2 1 343.902 3.702 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ncccc2F)ccc1OC ZINC000775418195 1134759292 /nfs/dbraw/zinc/75/92/92/1134759292.db2.gz YVWGVFDYYYRPGG-HNNXBMFYSA-N 2 1 345.462 3.922 20 0 EHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001205571361 1134925326 /nfs/dbraw/zinc/92/53/26/1134925326.db2.gz TWNJGAUMQMPPAG-CQSZACIVSA-N 2 1 349.675 3.755 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001192674180 1135044712 /nfs/dbraw/zinc/04/47/12/1135044712.db2.gz XPSGJZSGYJNYHS-VXKWHMMOSA-N 2 1 340.511 3.651 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001192674180 1135044714 /nfs/dbraw/zinc/04/47/14/1135044714.db2.gz XPSGJZSGYJNYHS-VXKWHMMOSA-N 2 1 340.511 3.651 20 0 EHADMP C[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205629235 1135133943 /nfs/dbraw/zinc/13/39/43/1135133943.db2.gz YRZUKOPHOMMDPB-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205629235 1135133946 /nfs/dbraw/zinc/13/39/46/1135133946.db2.gz YRZUKOPHOMMDPB-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP c1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)ccc1C[NH+]1CCCCC1 ZINC001195438647 1135429340 /nfs/dbraw/zinc/42/93/40/1135429340.db2.gz FDXLUONMDJAARO-OAQYLSRUSA-N 2 1 328.500 3.673 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196936879 1135631513 /nfs/dbraw/zinc/63/15/13/1135631513.db2.gz VUMQFMCLYQXZOR-NRFANRHFSA-N 2 1 330.516 3.919 20 0 EHADMP O[C@@H](CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000808717981 1135721104 /nfs/dbraw/zinc/72/11/04/1135721104.db2.gz OLUWOCZECIWKKS-FPOVZHCZSA-N 2 1 330.516 3.698 20 0 EHADMP C[C@@H]1CC[C@H](C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)O1 ZINC001198203476 1135784935 /nfs/dbraw/zinc/78/49/35/1135784935.db2.gz ZVSUWKNTGZOCTI-UYAOXDASSA-N 2 1 328.500 3.641 20 0 EHADMP Cc1ccc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)[nH+]c1N ZINC001170586227 1135877777 /nfs/dbraw/zinc/87/77/77/1135877777.db2.gz RRVWPIQXQWXQIA-CQSZACIVSA-N 2 1 339.270 3.994 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC001199336592 1135895699 /nfs/dbraw/zinc/89/56/99/1135895699.db2.gz SCBQDHQUXPUJSM-YLJYHZDGSA-N 2 1 330.516 3.797 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001199721382 1135922745 /nfs/dbraw/zinc/92/27/45/1135922745.db2.gz IBQFASGARRYMOJ-DYXWJJEUSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721382 1135922747 /nfs/dbraw/zinc/92/27/47/1135922747.db2.gz IBQFASGARRYMOJ-DYXWJJEUSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721382 1135922748 /nfs/dbraw/zinc/92/27/48/1135922748.db2.gz IBQFASGARRYMOJ-DYXWJJEUSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC001201558151 1136040150 /nfs/dbraw/zinc/04/01/50/1136040150.db2.gz PDUHCWLGIVFWBJ-INIZCTEOSA-N 2 1 329.463 3.832 20 0 EHADMP CCCCC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201727815 1136055736 /nfs/dbraw/zinc/05/57/36/1136055736.db2.gz VRXJRDQINNVWHX-FQEVSTJZSA-N 2 1 345.531 3.575 20 0 EHADMP FC(F)(F)CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001202424703 1136140178 /nfs/dbraw/zinc/14/01/78/1136140178.db2.gz MPFZQUCNJJYMHC-KRWDZBQOSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001202424703 1136140189 /nfs/dbraw/zinc/14/01/89/1136140189.db2.gz MPFZQUCNJJYMHC-KRWDZBQOSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001202424703 1136140192 /nfs/dbraw/zinc/14/01/92/1136140192.db2.gz MPFZQUCNJJYMHC-KRWDZBQOSA-N 2 1 326.406 3.927 20 0 EHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCCC(F)(F)F)C[C@@H]3C2)cc1 ZINC001202394830 1136141090 /nfs/dbraw/zinc/14/10/90/1136141090.db2.gz JZWHRBZVKCQHHZ-IAGOWNOFSA-N 2 1 326.406 3.701 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2SCCS2)C3)cc1 ZINC000850571597 1136289073 /nfs/dbraw/zinc/28/90/73/1136289073.db2.gz YWRFYAOBTVLBNE-NNZMDNLPSA-N 2 1 348.581 3.968 20 0 EHADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000851799502 1136408305 /nfs/dbraw/zinc/40/83/05/1136408305.db2.gz RZNGHGSTLZXOJD-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000851799502 1136408309 /nfs/dbraw/zinc/40/83/09/1136408309.db2.gz RZNGHGSTLZXOJD-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000851799502 1136408313 /nfs/dbraw/zinc/40/83/13/1136408313.db2.gz RZNGHGSTLZXOJD-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815054858 1136540503 /nfs/dbraw/zinc/54/05/03/1136540503.db2.gz NILOZXMHVLAUGM-UTKZUKDTSA-N 2 1 326.484 3.537 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815037515 1136543218 /nfs/dbraw/zinc/54/32/18/1136543218.db2.gz NFSDGXJXIJMPGF-QFIPXVFZSA-N 2 1 340.511 3.925 20 0 EHADMP CCc1nocc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000815132289 1136559992 /nfs/dbraw/zinc/55/99/92/1136559992.db2.gz RBVCKEUPQWBLLG-UHFFFAOYSA-N 2 1 342.487 3.627 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170824250 1136715680 /nfs/dbraw/zinc/71/56/80/1136715680.db2.gz XIMMAQRWNZIRLL-HNBVOPMISA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170824250 1136715681 /nfs/dbraw/zinc/71/56/81/1136715681.db2.gz XIMMAQRWNZIRLL-HNBVOPMISA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170824250 1136715683 /nfs/dbraw/zinc/71/56/83/1136715683.db2.gz XIMMAQRWNZIRLL-HNBVOPMISA-N 2 1 348.556 3.850 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816519314 1136730312 /nfs/dbraw/zinc/73/03/12/1136730312.db2.gz GHZJKXIRAMVKGD-HNNXBMFYSA-N 2 1 338.927 3.550 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816519314 1136730313 /nfs/dbraw/zinc/73/03/13/1136730313.db2.gz GHZJKXIRAMVKGD-HNNXBMFYSA-N 2 1 338.927 3.550 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC[C@H](C)C3)C2)ccn1 ZINC000856551311 1136794006 /nfs/dbraw/zinc/79/40/06/1136794006.db2.gz PEEBXFVZBICHGG-WAOWUJCRSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC[C@H](C)C3)C2)ccn1 ZINC000856551311 1136794007 /nfs/dbraw/zinc/79/40/07/1136794007.db2.gz PEEBXFVZBICHGG-WAOWUJCRSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@H](C)C3)C2)ccn1 ZINC000856551311 1136794010 /nfs/dbraw/zinc/79/40/10/1136794010.db2.gz PEEBXFVZBICHGG-WAOWUJCRSA-N 2 1 345.531 3.813 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(C)(C)C)C2)ccn1 ZINC000856560780 1136795695 /nfs/dbraw/zinc/79/56/95/1136795695.db2.gz QVIJAHUBJSHWJV-LJQANCHMSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560780 1136795698 /nfs/dbraw/zinc/79/56/98/1136795698.db2.gz QVIJAHUBJSHWJV-LJQANCHMSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560780 1136795700 /nfs/dbraw/zinc/79/57/00/1136795700.db2.gz QVIJAHUBJSHWJV-LJQANCHMSA-N 2 1 333.520 3.811 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856779116 1136810790 /nfs/dbraw/zinc/81/07/90/1136810790.db2.gz SYLNHGCDMASLJV-JTQLQIEISA-N 2 1 346.784 4.000 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)ccc1OC ZINC000817966474 1136853212 /nfs/dbraw/zinc/85/32/12/1136853212.db2.gz OLTDHRIJRVFKKK-UTKZUKDTSA-N 2 1 347.547 3.577 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1C[NH+]1CCCCC1 ZINC000818615989 1136886097 /nfs/dbraw/zinc/88/60/97/1136886097.db2.gz SHDOCVVSMAQUHB-NSISKUIASA-N 3 1 345.531 3.602 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982897 1136896198 /nfs/dbraw/zinc/89/61/98/1136896198.db2.gz VBSORODYPHUOEE-UNMCSNQZSA-N 2 1 338.495 3.530 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000818987688 1136897213 /nfs/dbraw/zinc/89/72/13/1136897213.db2.gz HKKHRRWCYCUHFL-YLJYHZDGSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000818987688 1136897216 /nfs/dbraw/zinc/89/72/16/1136897216.db2.gz HKKHRRWCYCUHFL-YLJYHZDGSA-N 2 1 344.524 3.592 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC000858098512 1136939664 /nfs/dbraw/zinc/93/96/64/1136939664.db2.gz OKQNGAVNDDLOPZ-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC000858098512 1136939665 /nfs/dbraw/zinc/93/96/65/1136939665.db2.gz OKQNGAVNDDLOPZ-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858394294 1136964567 /nfs/dbraw/zinc/96/45/67/1136964567.db2.gz KYPBWPYHOJXOML-SFHVURJKSA-N 2 1 344.547 3.502 20 0 EHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCCCO1 ZINC000858402219 1136964925 /nfs/dbraw/zinc/96/49/25/1136964925.db2.gz VVOUYGZDHQGYPD-UTKZUKDTSA-N 2 1 345.531 3.834 20 0 EHADMP CC[NH+](CC)CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820805722 1137004822 /nfs/dbraw/zinc/00/48/22/1137004822.db2.gz QIHGIMGRCWQXRY-SEJPIABJSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cn2)cc1 ZINC000859212402 1137007796 /nfs/dbraw/zinc/00/77/96/1137007796.db2.gz IXMKQBVRXGKHQH-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cn2)cc1 ZINC000859212402 1137007798 /nfs/dbraw/zinc/00/77/98/1137007798.db2.gz IXMKQBVRXGKHQH-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP Cc1nc2ccccc2nc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215287 1137008231 /nfs/dbraw/zinc/00/82/31/1137008231.db2.gz BFONGXPGMUWMIZ-UHFFFAOYSA-N 2 1 334.467 3.632 20 0 EHADMP Cc1ccc(C(F)(F)F)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001143670114 1137188054 /nfs/dbraw/zinc/18/80/54/1137188054.db2.gz HUBNAZOCOUYZPZ-UHFFFAOYSA-N 2 1 335.373 3.731 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnn(CC3CC[NH2+]CC3)c2)c1 ZINC000863689849 1137199449 /nfs/dbraw/zinc/19/94/49/1137199449.db2.gz HAXXTRBQLRIACV-QGZVFWFLSA-N 2 1 338.499 3.534 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000844167015 1137201246 /nfs/dbraw/zinc/20/12/46/1137201246.db2.gz YPNGTKXTHCXPBX-SFHVURJKSA-N 2 1 329.488 3.517 20 0 EHADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222451 1137203623 /nfs/dbraw/zinc/20/36/23/1137203623.db2.gz FIPUFIHWYTXUMX-OALUTQOASA-N 2 1 341.499 3.970 20 0 EHADMP CC(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222451 1137203625 /nfs/dbraw/zinc/20/36/25/1137203625.db2.gz FIPUFIHWYTXUMX-OALUTQOASA-N 2 1 341.499 3.970 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3(O)CCCCC3)C2)s1 ZINC000844325588 1137212916 /nfs/dbraw/zinc/21/29/16/1137212916.db2.gz AJNHKWKZFMUADK-QGZVFWFLSA-N 2 1 336.545 3.505 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3(O)CCCCC3)C2)s1 ZINC000844325588 1137212917 /nfs/dbraw/zinc/21/29/17/1137212917.db2.gz AJNHKWKZFMUADK-QGZVFWFLSA-N 2 1 336.545 3.505 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3(O)CCCCC3)C2)s1 ZINC000844325588 1137212919 /nfs/dbraw/zinc/21/29/19/1137212919.db2.gz AJNHKWKZFMUADK-QGZVFWFLSA-N 2 1 336.545 3.505 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000865627719 1137300104 /nfs/dbraw/zinc/30/01/04/1137300104.db2.gz IZFMTCIYXJWWSG-WFASDCNBSA-N 2 1 325.378 3.554 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000865651744 1137302014 /nfs/dbraw/zinc/30/20/14/1137302014.db2.gz CVKBYTQSBATHKE-KRWDZBQOSA-N 2 1 336.520 3.565 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000865778783 1137310868 /nfs/dbraw/zinc/31/08/68/1137310868.db2.gz YWPWOBCHIPXZOG-HMXCVIKNSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000865778783 1137310870 /nfs/dbraw/zinc/31/08/70/1137310870.db2.gz YWPWOBCHIPXZOG-HMXCVIKNSA-N 2 1 342.527 3.836 20 0 EHADMP c1[nH+]c(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c2ccccn12 ZINC001144625207 1137318041 /nfs/dbraw/zinc/31/80/41/1137318041.db2.gz IAIROAFQEHVRCN-OAQYLSRUSA-N 2 1 346.478 3.530 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@](C)(O)c1ccccc1 ZINC000846036100 1137328734 /nfs/dbraw/zinc/32/87/34/1137328734.db2.gz IYDXYVVCDDKUFD-PGRDOPGGSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866529968 1137361634 /nfs/dbraw/zinc/36/16/34/1137361634.db2.gz UVZXLZIGSMYCCV-CEWLAPEOSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H](COc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000772949490 1137361641 /nfs/dbraw/zinc/36/16/41/1137361641.db2.gz AXEGMCLCNBLGRQ-LJQANCHMSA-N 2 1 338.495 3.751 20 0 EHADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246774089 1137386832 /nfs/dbraw/zinc/38/68/32/1137386832.db2.gz BRDJYVWKVYSPIT-JKSUJKDBSA-N 2 1 325.294 3.658 20 0 EHADMP CCC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246842336 1137389703 /nfs/dbraw/zinc/38/97/03/1137389703.db2.gz YQBZETYYEIGPGD-CJNGLKHVSA-N 2 1 325.294 3.802 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001171290659 1137396507 /nfs/dbraw/zinc/39/65/07/1137396507.db2.gz AGTZGUWSQUTVSS-HUUCEWRRSA-N 2 1 336.907 3.527 20 0 EHADMP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)cn1 ZINC000282824366 1137453565 /nfs/dbraw/zinc/45/35/65/1137453565.db2.gz PRJFMOQPIDMNAX-QGZVFWFLSA-N 2 1 344.528 3.599 20 0 EHADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)cn1 ZINC000282824366 1137453566 /nfs/dbraw/zinc/45/35/66/1137453566.db2.gz PRJFMOQPIDMNAX-QGZVFWFLSA-N 2 1 344.528 3.599 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171359035 1137456820 /nfs/dbraw/zinc/45/68/20/1137456820.db2.gz YGIFFYDWGVQVBP-BZSNNMDCSA-N 2 1 334.454 3.804 20 0 EHADMP Fc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171398824 1137470743 /nfs/dbraw/zinc/47/07/43/1137470743.db2.gz ZPKJUNWIFZIGRP-AZUAARDMSA-N 2 1 338.470 3.795 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000715297672 1137476360 /nfs/dbraw/zinc/47/63/60/1137476360.db2.gz YVMYNZPQIDSQBE-NTYOPAKOSA-N 3 1 343.559 3.892 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000715297672 1137476361 /nfs/dbraw/zinc/47/63/61/1137476361.db2.gz YVMYNZPQIDSQBE-NTYOPAKOSA-N 3 1 343.559 3.892 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693630 1137488540 /nfs/dbraw/zinc/48/85/40/1137488540.db2.gz PJBXPBRPARLPHP-ZCNNSNEGSA-N 2 1 330.516 3.692 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519733 1137495917 /nfs/dbraw/zinc/49/59/17/1137495917.db2.gz IYODAJIVXFDSQO-KGLIPLIRSA-N 2 1 340.433 3.814 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519733 1137495919 /nfs/dbraw/zinc/49/59/19/1137495919.db2.gz IYODAJIVXFDSQO-KGLIPLIRSA-N 2 1 340.433 3.814 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171521850 1137496315 /nfs/dbraw/zinc/49/63/15/1137496315.db2.gz UMWFIXKBQPFVAC-ZQDZILKHSA-N 2 1 338.417 3.566 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171521850 1137496316 /nfs/dbraw/zinc/49/63/16/1137496316.db2.gz UMWFIXKBQPFVAC-ZQDZILKHSA-N 2 1 338.417 3.566 20 0 EHADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631207 1137499695 /nfs/dbraw/zinc/49/96/95/1137499695.db2.gz GHIHLAPUGLPNCX-HXUWFJFHSA-N 2 1 338.536 3.693 20 0 EHADMP CCOC(=O)c1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171626040 1137501232 /nfs/dbraw/zinc/50/12/32/1137501232.db2.gz TZJBFNBFTKJXKQ-UHFFFAOYSA-N 2 1 332.488 3.604 20 0 EHADMP C[C@H]1C[C@@H](N2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746428 1137508128 /nfs/dbraw/zinc/50/81/28/1137508128.db2.gz NLTHGHNOOGMFCN-SIKLNZKXSA-N 2 1 341.543 3.600 20 0 EHADMP CCCC[NH+]1CCC(N(C)[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171768241 1137509363 /nfs/dbraw/zinc/50/93/63/1137509363.db2.gz SVPRUMNZENCMRB-SIKLNZKXSA-N 2 1 343.559 3.846 20 0 EHADMP C[C@@H]1C[C@H](N2CCC(C)([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171768836 1137509665 /nfs/dbraw/zinc/50/96/65/1137509665.db2.gz XHHJHJWMVAKEIN-CTNGQTDRSA-N 2 1 341.543 3.600 20 0 EHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807990 1137513843 /nfs/dbraw/zinc/51/38/43/1137513843.db2.gz WWGAKUYACKNBPZ-ICSRJNTNSA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807990 1137513844 /nfs/dbraw/zinc/51/38/44/1137513844.db2.gz WWGAKUYACKNBPZ-ICSRJNTNSA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807990 1137513845 /nfs/dbraw/zinc/51/38/45/1137513845.db2.gz WWGAKUYACKNBPZ-ICSRJNTNSA-N 2 1 338.470 3.747 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171917402 1137518396 /nfs/dbraw/zinc/51/83/96/1137518396.db2.gz WEPBACOIEXWMJU-JCYILVPMSA-N 2 1 338.536 3.739 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171917402 1137518397 /nfs/dbraw/zinc/51/83/97/1137518397.db2.gz WEPBACOIEXWMJU-JCYILVPMSA-N 2 1 338.536 3.739 20 0 EHADMP CC(C)[N@H+](C1CCC(C(=O)OC(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171918691 1137518414 /nfs/dbraw/zinc/51/84/14/1137518414.db2.gz MRUCKQNXDRGZPD-QXINMDOSSA-N 2 1 338.536 3.867 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989202 1137522517 /nfs/dbraw/zinc/52/25/17/1137522517.db2.gz ZYNUTSDBVSMNBF-OALUTQOASA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989202 1137522519 /nfs/dbraw/zinc/52/25/19/1137522519.db2.gz ZYNUTSDBVSMNBF-OALUTQOASA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989202 1137522521 /nfs/dbraw/zinc/52/25/21/1137522521.db2.gz ZYNUTSDBVSMNBF-OALUTQOASA-N 2 1 330.516 3.665 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989202 1137522523 /nfs/dbraw/zinc/52/25/23/1137522523.db2.gz ZYNUTSDBVSMNBF-OALUTQOASA-N 2 1 330.516 3.665 20 0 EHADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971724 1137523837 /nfs/dbraw/zinc/52/38/37/1137523837.db2.gz JOQRKBLPEMAAOS-PMACEKPBSA-N 3 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971724 1137523839 /nfs/dbraw/zinc/52/38/39/1137523839.db2.gz JOQRKBLPEMAAOS-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971724 1137523841 /nfs/dbraw/zinc/52/38/41/1137523841.db2.gz JOQRKBLPEMAAOS-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974762 1137524409 /nfs/dbraw/zinc/52/44/09/1137524409.db2.gz AGJYBVDPGSQMLR-SIKLNZKXSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974762 1137524411 /nfs/dbraw/zinc/52/44/11/1137524411.db2.gz AGJYBVDPGSQMLR-SIKLNZKXSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974762 1137524413 /nfs/dbraw/zinc/52/44/13/1137524413.db2.gz AGJYBVDPGSQMLR-SIKLNZKXSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@](C)(CO)C1 ZINC001171974762 1137524415 /nfs/dbraw/zinc/52/44/15/1137524415.db2.gz AGJYBVDPGSQMLR-SIKLNZKXSA-N 2 1 344.543 3.913 20 0 EHADMP CCCc1cc(C[NH3+])nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974023 1137524830 /nfs/dbraw/zinc/52/48/30/1137524830.db2.gz BLUFCISGDFFBJV-HXUWFJFHSA-N 2 1 340.515 3.910 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976008 1137525042 /nfs/dbraw/zinc/52/50/42/1137525042.db2.gz HLFDRZXPECGYSH-CBQOVEMMSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976008 1137525044 /nfs/dbraw/zinc/52/50/44/1137525044.db2.gz HLFDRZXPECGYSH-CBQOVEMMSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976008 1137525046 /nfs/dbraw/zinc/52/50/46/1137525046.db2.gz HLFDRZXPECGYSH-CBQOVEMMSA-N 2 1 344.543 3.913 20 0 EHADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986198 1137527060 /nfs/dbraw/zinc/52/70/60/1137527060.db2.gz GKEUHEGBXZMKRJ-LEWJYISDSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986198 1137527062 /nfs/dbraw/zinc/52/70/62/1137527062.db2.gz GKEUHEGBXZMKRJ-LEWJYISDSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986198 1137527063 /nfs/dbraw/zinc/52/70/63/1137527063.db2.gz GKEUHEGBXZMKRJ-LEWJYISDSA-N 2 1 343.559 3.844 20 0 EHADMP CC1(C)C[C@@H](N2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987829 1137527701 /nfs/dbraw/zinc/52/77/01/1137527701.db2.gz KHBHMIJQSJBVCL-FQEVSTJZSA-N 2 1 341.543 3.600 20 0 EHADMP CC[N@@H+](C)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987610 1137528127 /nfs/dbraw/zinc/52/81/27/1137528127.db2.gz YDKSQCQAKLVBRS-OAQYLSRUSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+](C)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987610 1137528129 /nfs/dbraw/zinc/52/81/29/1137528129.db2.gz YDKSQCQAKLVBRS-OAQYLSRUSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+](C)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987610 1137528130 /nfs/dbraw/zinc/52/81/30/1137528130.db2.gz YDKSQCQAKLVBRS-OAQYLSRUSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987294 1137528186 /nfs/dbraw/zinc/52/81/86/1137528186.db2.gz SWVMXZGYJSSYOV-WOJBJXKFSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987294 1137528187 /nfs/dbraw/zinc/52/81/87/1137528187.db2.gz SWVMXZGYJSSYOV-WOJBJXKFSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987294 1137528189 /nfs/dbraw/zinc/52/81/89/1137528189.db2.gz SWVMXZGYJSSYOV-WOJBJXKFSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987294 1137528191 /nfs/dbraw/zinc/52/81/91/1137528191.db2.gz SWVMXZGYJSSYOV-WOJBJXKFSA-N 2 1 330.516 3.786 20 0 EHADMP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070883 1137529904 /nfs/dbraw/zinc/52/99/04/1137529904.db2.gz SAIJNOSPUFTNOP-CSEOROSGSA-N 2 1 342.527 3.713 20 0 EHADMP COCC[N@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075195 1137530662 /nfs/dbraw/zinc/53/06/62/1137530662.db2.gz OOFYTAQVZNPCFF-WKCHPHFGSA-N 2 1 330.516 3.929 20 0 EHADMP COCC[N@@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075195 1137530663 /nfs/dbraw/zinc/53/06/63/1137530663.db2.gz OOFYTAQVZNPCFF-WKCHPHFGSA-N 2 1 330.516 3.929 20 0 EHADMP COCC[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075195 1137530665 /nfs/dbraw/zinc/53/06/65/1137530665.db2.gz OOFYTAQVZNPCFF-WKCHPHFGSA-N 2 1 330.516 3.929 20 0 EHADMP COCC[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075195 1137530667 /nfs/dbraw/zinc/53/06/67/1137530667.db2.gz OOFYTAQVZNPCFF-WKCHPHFGSA-N 2 1 330.516 3.929 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2cccnc2)C3)cc1 ZINC001172064463 1137533196 /nfs/dbraw/zinc/53/31/96/1137533196.db2.gz GJHZGONALUCMCS-KOUNCHBCSA-N 2 1 335.495 3.799 20 0 EHADMP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065151 1137533315 /nfs/dbraw/zinc/53/33/15/1137533315.db2.gz LXCDAIPMLIAOBN-AFYVEPGGSA-N 2 1 344.499 3.503 20 0 EHADMP CCCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065124 1137533326 /nfs/dbraw/zinc/53/33/26/1137533326.db2.gz LLYYIIYTOKRCER-NCYKPQTJSA-N 2 1 330.516 3.713 20 0 EHADMP CCCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065125 1137533353 /nfs/dbraw/zinc/53/33/53/1137533353.db2.gz LLYYIIYTOKRCER-XSDIEEQYSA-N 2 1 330.516 3.713 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2C[C@]24CCCOC4)C3)cc1 ZINC001172067525 1137533814 /nfs/dbraw/zinc/53/38/14/1137533814.db2.gz GDXPGGYTACUJEW-WIYBCGNWSA-N 2 1 340.511 3.731 20 0 EHADMP OC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066165 1137533873 /nfs/dbraw/zinc/53/38/73/1137533873.db2.gz UJDZODOBPJOEIM-YUBLJMCLSA-N 2 1 342.527 3.713 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128022 1137534706 /nfs/dbraw/zinc/53/47/06/1137534706.db2.gz NPPJPQIDLBKFHS-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128022 1137534708 /nfs/dbraw/zinc/53/47/08/1137534708.db2.gz NPPJPQIDLBKFHS-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172128022 1137534709 /nfs/dbraw/zinc/53/47/09/1137534709.db2.gz NPPJPQIDLBKFHS-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172128022 1137534711 /nfs/dbraw/zinc/53/47/11/1137534711.db2.gz NPPJPQIDLBKFHS-BURNTYAHSA-N 2 1 342.527 3.965 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(COc3ccc(F)cc3)CC1)C2 ZINC001172129437 1137535511 /nfs/dbraw/zinc/53/55/11/1137535511.db2.gz ZRZIORXEFZAUAC-PMOLBWCYSA-N 2 1 346.490 3.932 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(COc3ccc(F)cc3)CC1)C2 ZINC001172129437 1137535513 /nfs/dbraw/zinc/53/55/13/1137535513.db2.gz ZRZIORXEFZAUAC-PMOLBWCYSA-N 2 1 346.490 3.932 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129903 1137535580 /nfs/dbraw/zinc/53/55/80/1137535580.db2.gz FBUCBMOETLXTJL-MPCSADPFSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129903 1137535581 /nfs/dbraw/zinc/53/55/81/1137535581.db2.gz FBUCBMOETLXTJL-MPCSADPFSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129903 1137535582 /nfs/dbraw/zinc/53/55/82/1137535582.db2.gz FBUCBMOETLXTJL-MPCSADPFSA-N 2 1 341.543 3.597 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(n3ncc4ccccc43)CC1)C2 ZINC001172128306 1137535586 /nfs/dbraw/zinc/53/55/86/1137535586.db2.gz QZHJYSMYRFQTQP-PMOLBWCYSA-N 2 1 338.499 3.689 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(n3ncc4ccccc43)CC1)C2 ZINC001172128306 1137535587 /nfs/dbraw/zinc/53/55/87/1137535587.db2.gz QZHJYSMYRFQTQP-PMOLBWCYSA-N 2 1 338.499 3.689 20 0 EHADMP COc1cccc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172130747 1137535617 /nfs/dbraw/zinc/53/56/17/1137535617.db2.gz RCBZDKSVAGMFKV-HAGHYFMRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130747 1137535618 /nfs/dbraw/zinc/53/56/18/1137535618.db2.gz RCBZDKSVAGMFKV-HAGHYFMRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130747 1137535619 /nfs/dbraw/zinc/53/56/19/1137535619.db2.gz RCBZDKSVAGMFKV-HAGHYFMRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172130747 1137535620 /nfs/dbraw/zinc/53/56/20/1137535620.db2.gz RCBZDKSVAGMFKV-HAGHYFMRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172130747 1137535621 /nfs/dbraw/zinc/53/56/21/1137535621.db2.gz RCBZDKSVAGMFKV-HAGHYFMRSA-N 2 1 328.500 3.890 20 0 EHADMP COc1ccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172110317 1137537210 /nfs/dbraw/zinc/53/72/10/1137537210.db2.gz JSEXEFULQYERER-REPLKXPHSA-N 2 1 328.500 3.623 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109726 1137537243 /nfs/dbraw/zinc/53/72/43/1137537243.db2.gz KJGPGQIDBXSSKU-ZWUHOBOKSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001172111483 1137537405 /nfs/dbraw/zinc/53/74/05/1137537405.db2.gz UVLBMRDDVDTJGK-LOUJCGABSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001172111483 1137537407 /nfs/dbraw/zinc/53/74/07/1137537407.db2.gz UVLBMRDDVDTJGK-LOUJCGABSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(OCC3CCC3)c1)C2 ZINC001172119280 1137538455 /nfs/dbraw/zinc/53/84/55/1137538455.db2.gz XZAHHJMSGWHGCS-ACDBMABISA-N 2 1 328.500 3.970 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])Cc1cccc(C(F)(F)F)c1)C2 ZINC001172115840 1137538580 /nfs/dbraw/zinc/53/85/80/1137538580.db2.gz VGZWRGBCROLABI-PHZGNYQRSA-N 2 1 339.405 3.830 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172123222 1137538808 /nfs/dbraw/zinc/53/88/08/1137538808.db2.gz YSGOKRMAPCZDKH-FCGDIQPGSA-N 2 1 344.499 3.856 20 0 EHADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172123222 1137538810 /nfs/dbraw/zinc/53/88/10/1137538810.db2.gz YSGOKRMAPCZDKH-FCGDIQPGSA-N 2 1 344.499 3.856 20 0 EHADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172123222 1137538811 /nfs/dbraw/zinc/53/88/11/1137538811.db2.gz YSGOKRMAPCZDKH-FCGDIQPGSA-N 2 1 344.499 3.856 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CSc4ccccc4C3)C2)cc1 ZINC001172190070 1137539587 /nfs/dbraw/zinc/53/95/87/1137539587.db2.gz IXAROKQYCPHYGA-UYAOXDASSA-N 2 1 338.520 3.815 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172194591 1137543054 /nfs/dbraw/zinc/54/30/54/1137543054.db2.gz UHSCUZRYKWSZIX-HXUWFJFHSA-N 2 1 338.520 3.958 20 0 EHADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2)cc1 ZINC001206163402 1137543968 /nfs/dbraw/zinc/54/39/68/1137543968.db2.gz CEUQJURRUPKSND-UXHICEINSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2)cc1 ZINC001206163402 1137543969 /nfs/dbraw/zinc/54/39/69/1137543969.db2.gz CEUQJURRUPKSND-UXHICEINSA-N 2 1 328.431 3.623 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC001172247089 1137544320 /nfs/dbraw/zinc/54/43/20/1137544320.db2.gz CYHMWZMJTHLSGZ-NBSKDCBCSA-N 2 1 334.548 3.826 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172348060 1137553135 /nfs/dbraw/zinc/55/31/35/1137553135.db2.gz NWCQIMUXPFHJMY-UKAVVXHISA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172348060 1137553136 /nfs/dbraw/zinc/55/31/36/1137553136.db2.gz NWCQIMUXPFHJMY-UKAVVXHISA-N 2 1 330.516 3.644 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C[C@H]1C ZINC001172367782 1137554998 /nfs/dbraw/zinc/55/49/98/1137554998.db2.gz NEGTUOLWDHUESY-ISMARYCFSA-N 2 1 347.591 3.740 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCOC1 ZINC000872025222 1137565743 /nfs/dbraw/zinc/56/57/43/1137565743.db2.gz IMDVXOGVNWDGIK-CTNGQTDRSA-N 2 1 330.516 3.754 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000872031983 1137566446 /nfs/dbraw/zinc/56/64/46/1137566446.db2.gz ORNQDWZYKHODNU-HBMCJLEFSA-N 2 1 344.543 3.734 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000872060928 1137568876 /nfs/dbraw/zinc/56/88/76/1137568876.db2.gz UBTCXOZSBQFJKP-IBGZPJMESA-N 2 1 345.531 3.834 20 0 EHADMP Brc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000872107393 1137571449 /nfs/dbraw/zinc/57/14/49/1137571449.db2.gz QBXLTCNGEHEUNK-IRXDYDNUSA-N 2 1 349.316 3.697 20 0 EHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCC2SCCS2)C1)C1CCCC1 ZINC000872157537 1137574156 /nfs/dbraw/zinc/57/41/56/1137574156.db2.gz PKLJNIGBLHBEEA-HOCLYGCPSA-N 2 1 328.591 3.802 20 0 EHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1)C1CCCC1 ZINC000872156174 1137574207 /nfs/dbraw/zinc/57/42/07/1137574207.db2.gz FUOPFGGPXKOINK-MAUKXSAKSA-N 2 1 331.504 3.673 20 0 EHADMP CCCCc1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158665 1137574563 /nfs/dbraw/zinc/57/45/63/1137574563.db2.gz WVOTZQJSTGMNOX-DOTOQJQBSA-N 2 1 334.508 3.532 20 0 EHADMP CCCCc1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158665 1137574564 /nfs/dbraw/zinc/57/45/64/1137574564.db2.gz WVOTZQJSTGMNOX-DOTOQJQBSA-N 2 1 334.508 3.532 20 0 EHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)CCCn1ccnc1 ZINC000124251322 1137584406 /nfs/dbraw/zinc/58/44/06/1137584406.db2.gz OHPGCSCEWUZSRQ-UHFFFAOYSA-N 2 1 343.862 3.553 20 0 EHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)CCCn1ccnc1 ZINC000124251322 1137584407 /nfs/dbraw/zinc/58/44/07/1137584407.db2.gz OHPGCSCEWUZSRQ-UHFFFAOYSA-N 2 1 343.862 3.553 20 0 EHADMP Cc1ccc(Br)c(F)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000873131030 1137590873 /nfs/dbraw/zinc/59/08/73/1137590873.db2.gz JPHMDDDUVLEVRL-YHWZYXNKSA-N 2 1 341.268 3.611 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000877472060 1137677432 /nfs/dbraw/zinc/67/74/32/1137677432.db2.gz IULSCMVKIYFADX-RLLQIKCJSA-N 2 1 330.516 3.740 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000877472060 1137677433 /nfs/dbraw/zinc/67/74/33/1137677433.db2.gz IULSCMVKIYFADX-RLLQIKCJSA-N 2 1 330.516 3.740 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000877525270 1137679538 /nfs/dbraw/zinc/67/95/38/1137679538.db2.gz XSAXLCQLIDHJHC-KRWDZBQOSA-N 2 1 347.503 3.854 20 0 EHADMP C[N@H+]1CC[C@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000879570029 1137751488 /nfs/dbraw/zinc/75/14/88/1137751488.db2.gz DQBSOTZYJPTDKT-KBXCAEBGSA-N 2 1 331.847 3.521 20 0 EHADMP COc1ccccc1[C@H]1CCC[N@@H+](CCCc2cncn2C)CC1 ZINC000879731760 1137756859 /nfs/dbraw/zinc/75/68/59/1137756859.db2.gz OCPBJQGLUMHIMF-KRWDZBQOSA-N 2 1 327.472 3.631 20 0 EHADMP COc1ccccc1[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000879731760 1137756860 /nfs/dbraw/zinc/75/68/60/1137756860.db2.gz OCPBJQGLUMHIMF-KRWDZBQOSA-N 2 1 327.472 3.631 20 0 EHADMP COc1ccccc1[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000879731760 1137756861 /nfs/dbraw/zinc/75/68/61/1137756861.db2.gz OCPBJQGLUMHIMF-KRWDZBQOSA-N 2 1 327.472 3.631 20 0 EHADMP COC[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134214 1137791143 /nfs/dbraw/zinc/79/11/43/1137791143.db2.gz CMDJOCKRUZURCE-UWJYYQICSA-N 2 1 341.499 3.996 20 0 EHADMP COC[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000626134214 1137791144 /nfs/dbraw/zinc/79/11/44/1137791144.db2.gz CMDJOCKRUZURCE-UWJYYQICSA-N 2 1 341.499 3.996 20 0 EHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)c1 ZINC001137173382 1137820197 /nfs/dbraw/zinc/82/01/97/1137820197.db2.gz SWRHDWUKEXWIRK-OALUTQOASA-N 2 1 349.503 3.860 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)cc1 ZINC000130695804 1137840909 /nfs/dbraw/zinc/84/09/09/1137840909.db2.gz AHXKJXPLYPBCDT-IERDGZPVSA-N 2 1 335.451 3.873 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417580 1137860222 /nfs/dbraw/zinc/86/02/22/1137860222.db2.gz FZKSZHFXBKJPPM-RTWAWAEBSA-N 2 1 328.500 3.761 20 0 EHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(F)c1OC ZINC000885923334 1138024735 /nfs/dbraw/zinc/02/47/35/1138024735.db2.gz XCKUAUSIPVPLDO-HNNXBMFYSA-N 2 1 338.467 3.587 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000886501234 1138084479 /nfs/dbraw/zinc/08/44/79/1138084479.db2.gz BPKVVBOUNOUWBP-YJYMSZOUSA-N 2 1 327.447 3.758 20 0 EHADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660578 1138110165 /nfs/dbraw/zinc/11/01/65/1138110165.db2.gz AMUKEYORBUWJEA-UHFFFAOYSA-N 2 1 335.492 3.575 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000089515642 1138200367 /nfs/dbraw/zinc/20/03/67/1138200367.db2.gz WPBFQDUMWKFBGQ-NCOADZHNSA-N 2 1 336.545 3.742 20 0 EHADMP c1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091265862 1138218185 /nfs/dbraw/zinc/21/81/85/1138218185.db2.gz KBCVAKCWKODBDW-QFIPXVFZSA-N 2 1 336.479 3.760 20 0 EHADMP c1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091265864 1138218206 /nfs/dbraw/zinc/21/82/06/1138218206.db2.gz KBCVAKCWKODBDW-JOCHJYFZSA-N 2 1 336.479 3.760 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126031075 1138321869 /nfs/dbraw/zinc/32/18/69/1138321869.db2.gz WLIMGTNRNIJVLI-JXXFODFXSA-N 2 1 343.515 3.634 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126031075 1138321872 /nfs/dbraw/zinc/32/18/72/1138321872.db2.gz WLIMGTNRNIJVLI-JXXFODFXSA-N 2 1 343.515 3.634 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000338007724 1138722292 /nfs/dbraw/zinc/72/22/92/1138722292.db2.gz BCPABISLCAYDLG-RBUKOAKNSA-N 2 1 327.472 3.555 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000136296404 1138793985 /nfs/dbraw/zinc/79/39/85/1138793985.db2.gz KJAQJDLBXXBQEK-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000136296404 1138793988 /nfs/dbraw/zinc/79/39/88/1138793988.db2.gz KJAQJDLBXXBQEK-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368933 1138864494 /nfs/dbraw/zinc/86/44/94/1138864494.db2.gz OHYBVILZJGOXBE-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368933 1138864503 /nfs/dbraw/zinc/86/45/03/1138864503.db2.gz OHYBVILZJGOXBE-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368933 1138864514 /nfs/dbraw/zinc/86/45/14/1138864514.db2.gz OHYBVILZJGOXBE-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338368933 1138864528 /nfs/dbraw/zinc/86/45/28/1138864528.db2.gz OHYBVILZJGOXBE-WMZOPIPTSA-N 2 1 337.458 3.661 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000151108813 1139009575 /nfs/dbraw/zinc/00/95/75/1139009575.db2.gz XBVCYBGEEJNTEB-RDJZCZTQSA-N 2 1 344.478 3.702 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000151108813 1139009581 /nfs/dbraw/zinc/00/95/81/1139009581.db2.gz XBVCYBGEEJNTEB-RDJZCZTQSA-N 2 1 344.478 3.702 20 0 EHADMP C[C@H]1C[C@@H](NCc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153739021 1139149625 /nfs/dbraw/zinc/14/96/25/1139149625.db2.gz OEMSHPZRZORMLQ-HOCLYGCPSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@@H+]1C ZINC000153739021 1139149634 /nfs/dbraw/zinc/14/96/34/1139149634.db2.gz OEMSHPZRZORMLQ-HOCLYGCPSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC[N@H+]1C ZINC000153739021 1139149638 /nfs/dbraw/zinc/14/96/38/1139149638.db2.gz OEMSHPZRZORMLQ-HOCLYGCPSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517159 1139426000 /nfs/dbraw/zinc/42/60/00/1139426000.db2.gz XLHIZRXYDICOBT-FUHWJXTLSA-N 2 1 334.467 3.598 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000178737203 1139715100 /nfs/dbraw/zinc/71/51/00/1139715100.db2.gz WFQPXMAQYGYKIF-FYSMJZIKSA-N 2 1 344.524 3.727 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120118 1139735967 /nfs/dbraw/zinc/73/59/67/1139735967.db2.gz QEACOJRNADGJGY-FUHWJXTLSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120118 1139735971 /nfs/dbraw/zinc/73/59/71/1139735971.db2.gz QEACOJRNADGJGY-FUHWJXTLSA-N 2 1 343.902 3.950 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180151817 1139813823 /nfs/dbraw/zinc/81/38/23/1139813823.db2.gz GIKCSTBDZBWDMF-MJLAPFRSSA-N 2 1 344.543 3.816 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181357169 1139901887 /nfs/dbraw/zinc/90/18/87/1139901887.db2.gz BSCCKRNRYWJAAQ-OUCADQQQSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181357169 1139901891 /nfs/dbraw/zinc/90/18/91/1139901891.db2.gz BSCCKRNRYWJAAQ-OUCADQQQSA-N 2 1 343.284 3.592 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@@H](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000182076477 1139948808 /nfs/dbraw/zinc/94/88/08/1139948808.db2.gz IHXLRDYJVWMQAR-INIZCTEOSA-N 2 1 338.499 3.531 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C ZINC000182259383 1139961713 /nfs/dbraw/zinc/96/17/13/1139961713.db2.gz WJWVJAYHAFZPOW-RXVVDRJESA-N 2 1 338.495 3.721 20 0 EHADMP c1csc(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000183134108 1140015283 /nfs/dbraw/zinc/01/52/83/1140015283.db2.gz NTYREDRZIDVDGO-OTWHNJEPSA-N 2 1 341.524 3.576 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccnc1 ZINC000184894028 1140124612 /nfs/dbraw/zinc/12/46/12/1140124612.db2.gz PXPXVSHHLWNADV-NRFANRHFSA-N 2 1 339.483 3.545 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707763 1140164940 /nfs/dbraw/zinc/16/49/40/1140164940.db2.gz KDKKFVUZYMEVHH-CABCVRRESA-N 2 1 349.906 3.521 20 0 EHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707763 1140164944 /nfs/dbraw/zinc/16/49/44/1140164944.db2.gz KDKKFVUZYMEVHH-CABCVRRESA-N 2 1 349.906 3.521 20 0 EHADMP C=Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000194217981 1140602123 /nfs/dbraw/zinc/60/21/23/1140602123.db2.gz FJUPSVGYHVLDFK-ROUUACIJSA-N 2 1 338.499 3.751 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(O)c3)CC2)oc1C ZINC000194889667 1140624614 /nfs/dbraw/zinc/62/46/14/1140624614.db2.gz AIJBPICNYJOBIA-HNNXBMFYSA-N 2 1 343.471 3.560 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266898714 1140735970 /nfs/dbraw/zinc/73/59/70/1140735970.db2.gz FWOXOEGFJLEWHX-HZPDHXFCSA-N 2 1 340.471 3.740 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266898714 1140735977 /nfs/dbraw/zinc/73/59/77/1140735977.db2.gz FWOXOEGFJLEWHX-HZPDHXFCSA-N 2 1 340.471 3.740 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000268731215 1140978052 /nfs/dbraw/zinc/97/80/52/1140978052.db2.gz ALBAHDBGEBOHDR-AZUAARDMSA-N 2 1 348.494 3.520 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000268731215 1140978056 /nfs/dbraw/zinc/97/80/56/1140978056.db2.gz ALBAHDBGEBOHDR-AZUAARDMSA-N 2 1 348.494 3.520 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H](c2ccco2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268731655 1140978362 /nfs/dbraw/zinc/97/83/62/1140978362.db2.gz UGLQERDBYIAOEL-MISYRCLQSA-N 2 1 341.499 3.525 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000268778764 1140989365 /nfs/dbraw/zinc/98/93/65/1140989365.db2.gz CIDIHFSDPQBYGM-CQSZACIVSA-N 2 1 341.434 3.566 20 0 EHADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000268796723 1140994173 /nfs/dbraw/zinc/99/41/73/1140994173.db2.gz GGMHOBNWUDUMGI-OAQYLSRUSA-N 2 1 347.547 3.544 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269008102 1141045458 /nfs/dbraw/zinc/04/54/58/1141045458.db2.gz WOYSMLSRTLCQCK-QUCCMNQESA-N 2 1 332.532 3.675 20 0 EHADMP COc1cc(Cl)c(C[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000269923947 1141158525 /nfs/dbraw/zinc/15/85/25/1141158525.db2.gz LKWIZVVPRLHGTA-UHFFFAOYSA-N 2 1 328.243 3.687 20 0 EHADMP Cc1cc2ncc([C@H](C)[NH2+]CCCC[N@H+]3CCCC[C@H]3C)c(C)n2n1 ZINC000271375383 1141353513 /nfs/dbraw/zinc/35/35/13/1141353513.db2.gz HQOOEIQAXFOBFA-SJORKVTESA-N 2 1 343.519 3.651 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271523684 1141387873 /nfs/dbraw/zinc/38/78/73/1141387873.db2.gz VHXRIWVPKILSKF-HLLBOEOZSA-N 2 1 344.421 3.597 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271523684 1141387880 /nfs/dbraw/zinc/38/78/80/1141387880.db2.gz VHXRIWVPKILSKF-HLLBOEOZSA-N 2 1 344.421 3.597 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548233 1141394629 /nfs/dbraw/zinc/39/46/29/1141394629.db2.gz UNLXGVVVAYMCPS-RZAIGCCYSA-N 2 1 340.870 3.508 20 0 EHADMP C(=C/c1ccncc1)\C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640054 1141560206 /nfs/dbraw/zinc/56/02/06/1141560206.db2.gz GEVBMCCCPSENBU-SNXGKTBFSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C/c1ccncc1)\C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640054 1141560207 /nfs/dbraw/zinc/56/02/07/1141560207.db2.gz GEVBMCCCPSENBU-SNXGKTBFSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C/c1ccncc1)\C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348640054 1141560210 /nfs/dbraw/zinc/56/02/10/1141560210.db2.gz GEVBMCCCPSENBU-SNXGKTBFSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C/c1ccncc1)\C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348640054 1141560213 /nfs/dbraw/zinc/56/02/13/1141560213.db2.gz GEVBMCCCPSENBU-SNXGKTBFSA-N 2 1 333.479 3.693 20 0 EHADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000078758902 217114073 /nfs/dbraw/zinc/11/40/73/217114073.db2.gz VGUPXTZUSRXKCM-AWEZNQCLSA-N 2 1 346.272 3.672 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037000372 524687506 /nfs/dbraw/zinc/68/75/06/524687506.db2.gz UKCMUDACRYYRCR-FCLXEUQJSA-N 2 1 337.305 3.595 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC23CC[NH2+]CC3)nc1 ZINC001164421024 718911993 /nfs/dbraw/zinc/91/19/93/718911993.db2.gz NVXZCUGLZKTCEG-LJQANCHMSA-N 2 1 342.531 3.741 20 0 EHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1ccc(Br)cc1Cl)CC2 ZINC001237355891 1125461427 /nfs/dbraw/zinc/46/14/27/1125461427.db2.gz DZQOHCULJCCIKZ-CQSZACIVSA-N 2 1 343.696 3.806 20 0 EHADMP C[C@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1cc(F)cc(F)c1 ZINC000449027351 1032061577 /nfs/dbraw/zinc/06/15/77/1032061577.db2.gz LSPROZXILHQLBX-CQSZACIVSA-N 2 1 333.426 3.757 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000536660402 1032072513 /nfs/dbraw/zinc/07/25/13/1032072513.db2.gz HKIDPOJMWFAOGP-KBXCAEBGSA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000536660402 1032072529 /nfs/dbraw/zinc/07/25/29/1032072529.db2.gz HKIDPOJMWFAOGP-KBXCAEBGSA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000536660402 1032072542 /nfs/dbraw/zinc/07/25/42/1032072542.db2.gz HKIDPOJMWFAOGP-KBXCAEBGSA-N 2 1 346.906 3.892 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000339514308 1014631996 /nfs/dbraw/zinc/63/19/96/1014631996.db2.gz ZHBUMTUQKXEPQT-DLBZAZTESA-N 2 1 341.524 3.803 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000339514308 1014632002 /nfs/dbraw/zinc/63/20/02/1014632002.db2.gz ZHBUMTUQKXEPQT-DLBZAZTESA-N 2 1 341.524 3.803 20 0 EHADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526391 1032098841 /nfs/dbraw/zinc/09/88/41/1032098841.db2.gz AWTPHJGEEXTDNT-PBHICJAKSA-N 2 1 328.460 3.768 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606398 1015058677 /nfs/dbraw/zinc/05/86/77/1015058677.db2.gz FTEAZDBRHZLFCD-MJGOQNOKSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606398 1015058687 /nfs/dbraw/zinc/05/86/87/1015058687.db2.gz FTEAZDBRHZLFCD-MJGOQNOKSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606398 1015058697 /nfs/dbraw/zinc/05/86/97/1015058697.db2.gz FTEAZDBRHZLFCD-MJGOQNOKSA-N 2 1 336.907 3.663 20 0 EHADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274876143 1015562952 /nfs/dbraw/zinc/56/29/52/1015562952.db2.gz GQSDEMAEXAQMKU-FDKRGKGCSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274876143 1015562963 /nfs/dbraw/zinc/56/29/63/1015562963.db2.gz GQSDEMAEXAQMKU-FDKRGKGCSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876143 1015562973 /nfs/dbraw/zinc/56/29/73/1015562973.db2.gz GQSDEMAEXAQMKU-FDKRGKGCSA-N 2 1 341.543 3.502 20 0 EHADMP CCC[N@@H+](CC1CCCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000533518187 1015876528 /nfs/dbraw/zinc/87/65/28/1015876528.db2.gz ZPHODYUOURPWQO-UHFFFAOYSA-N 2 1 330.520 3.964 20 0 EHADMP CCC[N@H+](CC1CCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533518187 1015876535 /nfs/dbraw/zinc/87/65/35/1015876535.db2.gz ZPHODYUOURPWQO-UHFFFAOYSA-N 2 1 330.520 3.964 20 0 EHADMP CCC[N@@H+](CC1CCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533518187 1015876543 /nfs/dbraw/zinc/87/65/43/1015876543.db2.gz ZPHODYUOURPWQO-UHFFFAOYSA-N 2 1 330.520 3.964 20 0 EHADMP CCO[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216294 1015969039 /nfs/dbraw/zinc/96/90/39/1015969039.db2.gz PHKVINURQOPSTD-DZFGPLHGSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216294 1015969046 /nfs/dbraw/zinc/96/90/46/1015969046.db2.gz PHKVINURQOPSTD-DZFGPLHGSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216294 1015969056 /nfs/dbraw/zinc/96/90/56/1015969056.db2.gz PHKVINURQOPSTD-DZFGPLHGSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216294 1015969063 /nfs/dbraw/zinc/96/90/63/1015969063.db2.gz PHKVINURQOPSTD-DZFGPLHGSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447137 1032134615 /nfs/dbraw/zinc/13/46/15/1032134615.db2.gz VZXVYFGTLZDYKS-ICSRJNTNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000459447137 1032134623 /nfs/dbraw/zinc/13/46/23/1032134623.db2.gz VZXVYFGTLZDYKS-ICSRJNTNSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447137 1032134627 /nfs/dbraw/zinc/13/46/27/1032134627.db2.gz VZXVYFGTLZDYKS-ICSRJNTNSA-N 3 1 341.543 3.504 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CNc1cc[nH+]cc1Br ZINC000339970413 1016087457 /nfs/dbraw/zinc/08/74/57/1016087457.db2.gz HIVZRWWJCVOBKQ-UHFFFAOYSA-N 2 1 348.288 3.718 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]cc1Br ZINC000339970413 1016087467 /nfs/dbraw/zinc/08/74/67/1016087467.db2.gz HIVZRWWJCVOBKQ-UHFFFAOYSA-N 2 1 348.288 3.718 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000449086237 1032144527 /nfs/dbraw/zinc/14/45/27/1032144527.db2.gz BKHRNKZWSGCHER-RBUKOAKNSA-N 2 1 335.580 3.882 20 0 EHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000120475621 1016260382 /nfs/dbraw/zinc/26/03/82/1016260382.db2.gz BWTVWGGAFVHGCX-UHFFFAOYSA-N 2 1 343.540 3.911 20 0 EHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209453143 1016313857 /nfs/dbraw/zinc/31/38/57/1016313857.db2.gz ZAZRIRWGALTDRE-UHFFFAOYSA-N 2 1 347.522 3.598 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CCN1C1CC[NH+](C)CC1 ZINC000343746045 1032147220 /nfs/dbraw/zinc/14/72/20/1032147220.db2.gz WOSOXMUFKOCZPT-MRXNPFEDSA-N 2 1 343.540 3.502 20 0 EHADMP COCC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000361317823 1016497676 /nfs/dbraw/zinc/49/76/76/1016497676.db2.gz CUQNDZLNKIDNQO-NRFANRHFSA-N 2 1 342.527 3.791 20 0 EHADMP COCC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000361317823 1016497684 /nfs/dbraw/zinc/49/76/84/1016497684.db2.gz CUQNDZLNKIDNQO-NRFANRHFSA-N 2 1 342.527 3.791 20 0 EHADMP COCC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000361317823 1016497693 /nfs/dbraw/zinc/49/76/93/1016497693.db2.gz CUQNDZLNKIDNQO-NRFANRHFSA-N 2 1 342.527 3.791 20 0 EHADMP c1cc(C2OCCO2)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166187262 1016593692 /nfs/dbraw/zinc/59/36/92/1016593692.db2.gz HROHWFGIUVWVTK-UHFFFAOYSA-N 2 1 344.499 3.619 20 0 EHADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OC)c(OC)c1 ZINC000376594958 1016726962 /nfs/dbraw/zinc/72/69/62/1016726962.db2.gz JFRUDJMSQIACCB-DAWZGUTISA-N 2 1 332.488 3.761 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000179540083 1016874725 /nfs/dbraw/zinc/87/47/25/1016874725.db2.gz LFRLLWQVGMKNRU-GHTZIAJQSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380169235 1016914147 /nfs/dbraw/zinc/91/41/47/1016914147.db2.gz MOZDQVPXIXDGMV-RDJZCZTQSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380169235 1016914154 /nfs/dbraw/zinc/91/41/54/1016914154.db2.gz MOZDQVPXIXDGMV-RDJZCZTQSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379616140 1032174006 /nfs/dbraw/zinc/17/40/06/1032174006.db2.gz BRFKWXNGQLYWFG-MSOLQXFVSA-N 2 1 326.484 3.823 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449108800 1032189528 /nfs/dbraw/zinc/18/95/28/1032189528.db2.gz VTNGMHBBYUNTQL-QFBILLFUSA-N 2 1 336.907 3.677 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379631046 1032207414 /nfs/dbraw/zinc/20/74/14/1032207414.db2.gz QVMHOHDTCFGQHU-WIYYLYMNSA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379631046 1032207426 /nfs/dbraw/zinc/20/74/26/1032207426.db2.gz QVMHOHDTCFGQHU-WIYYLYMNSA-N 2 1 338.495 3.880 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634925 1032213459 /nfs/dbraw/zinc/21/34/59/1032213459.db2.gz VMSPGPLAPLKWGR-TYPHKJRUSA-N 2 1 340.515 3.550 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634925 1032213477 /nfs/dbraw/zinc/21/34/77/1032213477.db2.gz VMSPGPLAPLKWGR-TYPHKJRUSA-N 2 1 340.515 3.550 20 0 EHADMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449145559 1032247995 /nfs/dbraw/zinc/24/79/95/1032247995.db2.gz YAJLYWAEKIJWIV-KNQAVFIVSA-N 2 1 343.559 3.546 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]CCc3cccc(C)c3)CCCC2)CC1 ZINC000449153048 1032256528 /nfs/dbraw/zinc/25/65/28/1032256528.db2.gz IKSWPDKAZPEXPO-UHFFFAOYSA-N 2 1 330.516 3.551 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449168729 1032261811 /nfs/dbraw/zinc/26/18/11/1032261811.db2.gz DYRVVJRKFPNWPR-ROUUACIJSA-N 2 1 343.540 3.891 20 0 EHADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449198029 1032323494 /nfs/dbraw/zinc/32/34/94/1032323494.db2.gz ZHVSHBKSNXKCCK-VQIMIIECSA-N 2 1 335.580 3.738 20 0 EHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000538397909 1032342634 /nfs/dbraw/zinc/34/26/34/1032342634.db2.gz DUMHRSWMUKPZSE-OAHLLOKOSA-N 2 1 349.906 3.764 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905074533 1032343728 /nfs/dbraw/zinc/34/37/28/1032343728.db2.gz ZATKIOZGNOTBQR-CXAGYDPISA-N 2 1 345.314 3.737 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905074536 1032344054 /nfs/dbraw/zinc/34/40/54/1032344054.db2.gz ZATKIOZGNOTBQR-GUYCJALGSA-N 2 1 345.314 3.737 20 0 EHADMP CSCC1CCC([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000449226037 1032344895 /nfs/dbraw/zinc/34/48/95/1032344895.db2.gz QCSXZNZPMBVWBZ-UHFFFAOYSA-N 2 1 348.560 3.574 20 0 EHADMP C/C(Cl)=C\C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000528495668 1032355940 /nfs/dbraw/zinc/35/59/40/1032355940.db2.gz YPHQMUUFVHPJRP-XHAHAKLZSA-N 2 1 325.909 3.572 20 0 EHADMP C/C(Cl)=C\C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000528495668 1032355945 /nfs/dbraw/zinc/35/59/45/1032355945.db2.gz YPHQMUUFVHPJRP-XHAHAKLZSA-N 2 1 325.909 3.572 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000185207625 1032367872 /nfs/dbraw/zinc/36/78/72/1032367872.db2.gz YCCYKDVLPJFTSH-UHFFFAOYSA-N 2 1 328.847 3.615 20 0 EHADMP COc1cc(F)cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000449240506 1032374486 /nfs/dbraw/zinc/37/44/86/1032374486.db2.gz NWAWXPZKKMMBLQ-UHFFFAOYSA-N 2 1 343.446 3.578 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@@H](C)C1 ZINC000536882749 1032387101 /nfs/dbraw/zinc/38/71/01/1032387101.db2.gz MSGOTHOTVNWFRY-QFBILLFUSA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@@H](C)C1 ZINC000536882749 1032387111 /nfs/dbraw/zinc/38/71/11/1032387111.db2.gz MSGOTHOTVNWFRY-QFBILLFUSA-N 2 1 346.515 3.837 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000459743961 1032457052 /nfs/dbraw/zinc/45/70/52/1032457052.db2.gz XIQHDYUNPAYDSX-INIZCTEOSA-N 2 1 327.447 3.709 20 0 EHADMP Cc1cc(C)c([C@@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000537032064 1032493195 /nfs/dbraw/zinc/49/31/95/1032493195.db2.gz VADJZKXOLOCBFU-LJQANCHMSA-N 2 1 331.548 3.631 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCC3(F)F)sc2C1 ZINC000449381301 1032506822 /nfs/dbraw/zinc/50/68/22/1032506822.db2.gz YCBPIKOWXTXEAY-CYBMUJFWSA-N 2 1 343.487 3.825 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCC3(F)F)sc2C1 ZINC000449381301 1032506831 /nfs/dbraw/zinc/50/68/31/1032506831.db2.gz YCBPIKOWXTXEAY-CYBMUJFWSA-N 2 1 343.487 3.825 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000090586529 1032587493 /nfs/dbraw/zinc/58/74/93/1032587493.db2.gz OOYXXYYIINHLIJ-IBGZPJMESA-N 2 1 329.532 3.613 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449479775 1032603740 /nfs/dbraw/zinc/60/37/40/1032603740.db2.gz MWMYMKDQJNQYOM-FQEVSTJZSA-N 2 1 342.527 3.632 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(Br)cc2)[C@H](C)C1 ZINC000449461874 1032611084 /nfs/dbraw/zinc/61/10/84/1032611084.db2.gz UCLFLSGULDTBLS-ROHVMALMSA-N 2 1 337.305 3.782 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091265296 1032679406 /nfs/dbraw/zinc/67/94/06/1032679406.db2.gz APEGDMAUEDMLAF-KRWDZBQOSA-N 2 1 337.305 3.974 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000091319389 1032684289 /nfs/dbraw/zinc/68/42/89/1032684289.db2.gz IEOWEWMSPHJOIE-UNMCSNQZSA-N 2 1 337.511 3.933 20 0 EHADMP Cn1cc([C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C)cn1 ZINC000537399326 1032695427 /nfs/dbraw/zinc/69/54/27/1032695427.db2.gz RJQGRNMFIBUUHL-FQEVSTJZSA-N 2 1 340.515 3.762 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@H]2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698048 1017415230 /nfs/dbraw/zinc/41/52/30/1017415230.db2.gz VBWFBOGFHGBRFP-PKOBYXMFSA-N 2 1 346.515 3.835 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698048 1017415237 /nfs/dbraw/zinc/41/52/37/1017415237.db2.gz VBWFBOGFHGBRFP-PKOBYXMFSA-N 2 1 346.515 3.835 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000655713719 1017436855 /nfs/dbraw/zinc/43/68/55/1017436855.db2.gz UNJBGODHRSPRIZ-UHFFFAOYSA-N 2 1 340.515 3.888 20 0 EHADMP c1ccc(-c2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cc2)cc1 ZINC000415053983 1017474766 /nfs/dbraw/zinc/47/47/66/1017474766.db2.gz NEOMFFPEGQKLFH-UHFFFAOYSA-N 2 1 349.522 3.660 20 0 EHADMP Cc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415055784 1017479747 /nfs/dbraw/zinc/47/97/47/1017479747.db2.gz RKBWNNVKWNLJIA-JSGCOSHPSA-N 2 1 343.334 3.783 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415055784 1017479751 /nfs/dbraw/zinc/47/97/51/1017479751.db2.gz RKBWNNVKWNLJIA-JSGCOSHPSA-N 2 1 343.334 3.783 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415056219 1017481503 /nfs/dbraw/zinc/48/15/03/1017481503.db2.gz RYIBRPAYDKXSPT-GHTZIAJQSA-N 2 1 339.458 3.852 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000655730785 1017486694 /nfs/dbraw/zinc/48/66/94/1017486694.db2.gz TWEIDTWHYUGNBP-IBGZPJMESA-N 2 1 340.515 3.699 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000655730785 1017486702 /nfs/dbraw/zinc/48/67/02/1017486702.db2.gz TWEIDTWHYUGNBP-IBGZPJMESA-N 2 1 340.515 3.699 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1OCC ZINC000340410203 1017494510 /nfs/dbraw/zinc/49/45/10/1017494510.db2.gz URSQRQJXAHWFMV-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OCC ZINC000340410203 1017494520 /nfs/dbraw/zinc/49/45/20/1017494520.db2.gz URSQRQJXAHWFMV-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415076592 1017508390 /nfs/dbraw/zinc/50/83/90/1017508390.db2.gz DAACQZVYOLTTJL-VCOUNFBDSA-N 2 1 335.495 3.596 20 0 EHADMP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655756576 1017546293 /nfs/dbraw/zinc/54/62/93/1017546293.db2.gz GTYNHINYWYINMF-HKUYNNGSSA-N 2 1 348.556 3.709 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000655755146 1017546441 /nfs/dbraw/zinc/54/64/41/1017546441.db2.gz QXBCVGMGSXZTNM-HTAPYJJXSA-N 2 1 342.527 3.859 20 0 EHADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415106592 1017548922 /nfs/dbraw/zinc/54/89/22/1017548922.db2.gz OBDOOEZFOIVZOJ-KJJMTIBFSA-N 2 1 336.479 3.847 20 0 EHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000340419125 1017692395 /nfs/dbraw/zinc/69/23/95/1017692395.db2.gz WSFGZMMTUIYXBP-MSOLQXFVSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000340419125 1017692403 /nfs/dbraw/zinc/69/24/03/1017692403.db2.gz WSFGZMMTUIYXBP-MSOLQXFVSA-N 2 1 332.488 3.591 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000655848430 1017764048 /nfs/dbraw/zinc/76/40/48/1017764048.db2.gz IZRYSRZTOVYODG-LEWJYISDSA-N 2 1 330.516 3.631 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000655848278 1017764201 /nfs/dbraw/zinc/76/42/01/1017764201.db2.gz CQCRFQWYEJOELL-GFOJFJKKSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000655848278 1017764215 /nfs/dbraw/zinc/76/42/15/1017764215.db2.gz CQCRFQWYEJOELL-GFOJFJKKSA-N 2 1 333.564 3.636 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000655940510 1017967554 /nfs/dbraw/zinc/96/75/54/1017967554.db2.gz SVVWBANYJMDORJ-FBBABVLZSA-N 2 1 346.515 3.537 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000893030164 1018216897 /nfs/dbraw/zinc/21/68/97/1018216897.db2.gz QJPTWILLKLBUGU-UHFFFAOYSA-N 2 1 326.488 3.752 20 0 EHADMP COC(=O)c1csc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000580106765 1018652730 /nfs/dbraw/zinc/65/27/30/1018652730.db2.gz MYYLVZNXEITABX-DOMZBBRYSA-N 2 1 326.506 3.552 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000052208916 1018762999 /nfs/dbraw/zinc/76/29/99/1018762999.db2.gz FXTFVVWDTCLSSQ-UHFFFAOYSA-N 2 1 340.515 3.816 20 0 EHADMP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000894178116 1019071284 /nfs/dbraw/zinc/07/12/84/1019071284.db2.gz DARPDKXCWFTROY-QGZVFWFLSA-N 2 1 338.499 3.636 20 0 EHADMP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000894178116 1019071301 /nfs/dbraw/zinc/07/13/01/1019071301.db2.gz DARPDKXCWFTROY-QGZVFWFLSA-N 2 1 338.499 3.636 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cnc(-c3ccc(F)cc3)s1)C2 ZINC001279220030 1019113310 /nfs/dbraw/zinc/11/33/10/1019113310.db2.gz ZYAAJQIXMHORCZ-LJQANCHMSA-N 2 1 345.487 3.867 20 0 EHADMP COCc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708550694 1032811342 /nfs/dbraw/zinc/81/13/42/1032811342.db2.gz IPHPEZGVACMMST-AVRDEDQJSA-N 2 1 338.495 3.691 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561254 1032812434 /nfs/dbraw/zinc/81/24/34/1032812434.db2.gz SYRRXHMMGZJSBE-RJCAOGMDSA-N 2 1 326.406 3.851 20 0 EHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167936862 1019231576 /nfs/dbraw/zinc/23/15/76/1019231576.db2.gz OWQNLSUXPFJDDG-REPLKXPHSA-N 2 1 325.500 3.557 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000580452153 1019391294 /nfs/dbraw/zinc/39/12/94/1019391294.db2.gz PHUBAVSCAARURR-MOPGFXCFSA-N 2 1 332.532 3.989 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000580452153 1019391312 /nfs/dbraw/zinc/39/13/12/1019391312.db2.gz PHUBAVSCAARURR-MOPGFXCFSA-N 2 1 332.532 3.989 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261661620 1019423900 /nfs/dbraw/zinc/42/39/00/1019423900.db2.gz FGEXQKQIIKGRJA-VDZJLULYSA-N 2 1 329.488 3.517 20 0 EHADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000433630145 1019469965 /nfs/dbraw/zinc/46/99/65/1019469965.db2.gz DGQYUPYISPVFJZ-PVIWCNJMSA-N 2 1 342.527 3.548 20 0 EHADMP Fc1ccc(Br)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735085 1019494672 /nfs/dbraw/zinc/49/46/72/1019494672.db2.gz LEIJUQNTKWWANO-UHFFFAOYSA-N 2 1 341.268 3.554 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000155765385 1019508184 /nfs/dbraw/zinc/50/81/84/1019508184.db2.gz ARERRINFQMYNNK-ZWKOTPCHSA-N 2 1 340.515 3.986 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000513340963 1019543769 /nfs/dbraw/zinc/54/37/69/1019543769.db2.gz OXDVKHHCFMMETF-CWJKEVGVSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000513340963 1019543782 /nfs/dbraw/zinc/54/37/82/1019543782.db2.gz OXDVKHHCFMMETF-CWJKEVGVSA-N 2 1 330.516 3.570 20 0 EHADMP COc1cc(-c2ccccc2)ccc1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000513379841 1019582884 /nfs/dbraw/zinc/58/28/84/1019582884.db2.gz YFMGZFZWQUITJP-RXVVDRJESA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000513379841 1019582903 /nfs/dbraw/zinc/58/29/03/1019582903.db2.gz YFMGZFZWQUITJP-RXVVDRJESA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000513379841 1019582936 /nfs/dbraw/zinc/58/29/36/1019582936.db2.gz YFMGZFZWQUITJP-RXVVDRJESA-N 2 1 336.479 3.888 20 0 EHADMP Cc1ncc(CNCCC[N@@H+]2CCCC[C@H]2C)n1-c1ccccc1 ZINC000325737228 1032850378 /nfs/dbraw/zinc/85/03/78/1032850378.db2.gz XHSVWFBYYLYNCP-QGZVFWFLSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ncc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)n1-c1ccccc1 ZINC000325737228 1032850393 /nfs/dbraw/zinc/85/03/93/1032850393.db2.gz XHSVWFBYYLYNCP-QGZVFWFLSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)n1-c1ccccc1 ZINC000325737228 1032850405 /nfs/dbraw/zinc/85/04/05/1032850405.db2.gz XHSVWFBYYLYNCP-QGZVFWFLSA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ncc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000513487249 1019745263 /nfs/dbraw/zinc/74/52/63/1019745263.db2.gz ACNFLXLGRJECSD-CRAIPNDOSA-N 2 1 329.513 3.842 20 0 EHADMP Fc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Br ZINC001204735175 1019758148 /nfs/dbraw/zinc/75/81/48/1019758148.db2.gz MTLYUUFYCLRZLR-UHFFFAOYSA-N 2 1 341.268 3.554 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544434 1019810169 /nfs/dbraw/zinc/81/01/69/1019810169.db2.gz HYDRJLGBSYHFFR-ICSRJNTNSA-N 2 1 348.494 3.725 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000275945658 1019958682 /nfs/dbraw/zinc/95/86/82/1019958682.db2.gz ZRZNZMGPJGXLCG-LLVKDONJSA-N 2 1 340.240 3.834 20 0 EHADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](CCOC(C)C)CC3)c2c1 ZINC000580770642 1019995837 /nfs/dbraw/zinc/99/58/37/1019995837.db2.gz DXFPJMMUDQIGTK-UHFFFAOYSA-N 2 1 327.472 3.845 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071260 1020400668 /nfs/dbraw/zinc/40/06/68/1020400668.db2.gz JLVKKVXRYWPQJN-PKOBYXMFSA-N 2 1 330.516 3.977 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581071260 1020400671 /nfs/dbraw/zinc/40/06/71/1020400671.db2.gz JLVKKVXRYWPQJN-PKOBYXMFSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085414 1020700206 /nfs/dbraw/zinc/70/02/06/1020700206.db2.gz ZGXRMOBVYDBJIM-GHTZIAJQSA-N 2 1 345.531 3.825 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCC3)CCN1Cc1ccccc1 ZINC000656504125 1020759748 /nfs/dbraw/zinc/75/97/48/1020759748.db2.gz DAYBKEFUXJAILJ-FXAWDEMLSA-N 2 1 335.495 3.713 20 0 EHADMP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC(C)(C)C[NH3+] ZINC000430573075 1020761167 /nfs/dbraw/zinc/76/11/67/1020761167.db2.gz PPANPAMGFLVBKD-UHFFFAOYSA-N 2 1 347.890 3.731 20 0 EHADMP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC(C)(C)C[NH3+] ZINC000430573075 1020761176 /nfs/dbraw/zinc/76/11/76/1020761176.db2.gz PPANPAMGFLVBKD-UHFFFAOYSA-N 2 1 347.890 3.731 20 0 EHADMP CC[C@H](C)[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000449630940 1032931970 /nfs/dbraw/zinc/93/19/70/1032931970.db2.gz NZUCGAQKAJINFJ-IBGZPJMESA-N 2 1 331.548 3.561 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430623523 1021242104 /nfs/dbraw/zinc/24/21/04/1021242104.db2.gz HBVDRXMKMVJJEF-IBGZPJMESA-N 2 1 338.495 3.724 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430623523 1021242121 /nfs/dbraw/zinc/24/21/21/1021242121.db2.gz HBVDRXMKMVJJEF-IBGZPJMESA-N 2 1 338.495 3.724 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427278108 1021273573 /nfs/dbraw/zinc/27/35/73/1021273573.db2.gz VYYIRLJVSYRBLQ-ROUUACIJSA-N 2 1 343.515 3.637 20 0 EHADMP CO[C@@H]([C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289665 1021278223 /nfs/dbraw/zinc/27/82/23/1021278223.db2.gz FDHFGVIGJHQQDB-AHRSYUTCSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]([C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289665 1021278229 /nfs/dbraw/zinc/27/82/29/1021278229.db2.gz FDHFGVIGJHQQDB-AHRSYUTCSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000684374683 1021412149 /nfs/dbraw/zinc/41/21/49/1021412149.db2.gz SXEWISKDPVGVAW-QFIPXVFZSA-N 2 1 337.511 3.824 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000581674713 1021442329 /nfs/dbraw/zinc/44/23/29/1021442329.db2.gz SHGFWSMYGOMZAU-LPHOPBHVSA-N 2 1 340.467 3.586 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000581674713 1021442336 /nfs/dbraw/zinc/44/23/36/1021442336.db2.gz SHGFWSMYGOMZAU-LPHOPBHVSA-N 2 1 340.467 3.586 20 0 EHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000427540688 1021455786 /nfs/dbraw/zinc/45/57/86/1021455786.db2.gz NNRBZSWECJTCQW-SVFBPWRDSA-N 2 1 332.532 3.733 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1O ZINC000426394831 1021464083 /nfs/dbraw/zinc/46/40/83/1021464083.db2.gz GHHBYZWJRSFJJQ-QGZVFWFLSA-N 2 1 348.531 3.966 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173055 1021510842 /nfs/dbraw/zinc/51/08/42/1021510842.db2.gz UURCFPQFAIHDOU-CTNGQTDRSA-N 2 1 341.543 3.505 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173055 1021510851 /nfs/dbraw/zinc/51/08/51/1021510851.db2.gz UURCFPQFAIHDOU-CTNGQTDRSA-N 2 1 341.543 3.505 20 0 EHADMP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1OC(C)C ZINC000518765634 1021516647 /nfs/dbraw/zinc/51/66/47/1021516647.db2.gz SGKDJKKUJUBCRM-QZTJIDSGSA-N 2 1 348.531 3.940 20 0 EHADMP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000437078382 1021528526 /nfs/dbraw/zinc/52/85/26/1021528526.db2.gz TWNQHYJYBOHOJU-NRFANRHFSA-N 2 1 330.516 3.572 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426422304 1021547064 /nfs/dbraw/zinc/54/70/64/1021547064.db2.gz VFNSUJOAZMZQDG-ZWKOTPCHSA-N 2 1 348.531 3.824 20 0 EHADMP CCC[NH+]1CCC(N(C)Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000516775827 1021734016 /nfs/dbraw/zinc/73/40/16/1021734016.db2.gz GLQCPFDCPAFSLT-UHFFFAOYSA-N 2 1 328.504 3.764 20 0 EHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925022283 1021985879 /nfs/dbraw/zinc/98/58/79/1021985879.db2.gz FTWQNCVBSMIGLU-RDJZCZTQSA-N 2 1 330.472 3.629 20 0 EHADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)cc(Br)c1 ZINC000471758081 1021999093 /nfs/dbraw/zinc/99/90/93/1021999093.db2.gz HYBKYOXHKMJUMR-OAHLLOKOSA-N 2 1 340.240 3.605 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000276652133 1022052712 /nfs/dbraw/zinc/05/27/12/1022052712.db2.gz MLXGFFPAYLEJQI-WBVHZDCISA-N 2 1 337.389 3.907 20 0 EHADMP Cc1c(C)c(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1C ZINC000441204657 1022061428 /nfs/dbraw/zinc/06/14/28/1022061428.db2.gz NQTDFVDCMCDFCK-CEMLEFRQSA-N 2 1 344.543 3.912 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593691478 1033028686 /nfs/dbraw/zinc/02/86/86/1033028686.db2.gz QDLNSIVQSONPSC-RTBURBONSA-N 2 1 344.499 3.631 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000440319899 1022101358 /nfs/dbraw/zinc/10/13/58/1022101358.db2.gz WAULFHJWVGSOAR-UHFFFAOYSA-N 2 1 343.540 3.702 20 0 EHADMP CCC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000579251247 1022214952 /nfs/dbraw/zinc/21/49/52/1022214952.db2.gz DLUQGUQBHPRNFI-LEWJYISDSA-N 2 1 342.527 3.647 20 0 EHADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441402306 1022216618 /nfs/dbraw/zinc/21/66/18/1022216618.db2.gz HGVHKMJWTIJGOP-UYAOXDASSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402306 1022216633 /nfs/dbraw/zinc/21/66/33/1022216633.db2.gz HGVHKMJWTIJGOP-UYAOXDASSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402306 1022216641 /nfs/dbraw/zinc/21/66/41/1022216641.db2.gz HGVHKMJWTIJGOP-UYAOXDASSA-N 2 1 328.500 3.631 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127372703 1022298399 /nfs/dbraw/zinc/29/83/99/1022298399.db2.gz YJSVLCLOTADBEO-UHFFFAOYSA-N 2 1 329.257 3.551 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647199548 1022317836 /nfs/dbraw/zinc/31/78/36/1022317836.db2.gz HDKMCWFMFLEJJP-YSIASYRMSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647199548 1022317845 /nfs/dbraw/zinc/31/78/45/1022317845.db2.gz HDKMCWFMFLEJJP-YSIASYRMSA-N 2 1 328.500 3.731 20 0 EHADMP CC1(C)CCC[NH2+][C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414921519 1022351698 /nfs/dbraw/zinc/35/16/98/1022351698.db2.gz BSPSAYDXCUWVEZ-VTHDOGFWSA-N 2 1 341.543 3.550 20 0 EHADMP OC1([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc2)CCC1 ZINC001167973145 1022485760 /nfs/dbraw/zinc/48/57/60/1022485760.db2.gz HTXJGUYBFGWAPD-VTHDOGFWSA-N 2 1 340.511 3.638 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602664204 1033062183 /nfs/dbraw/zinc/06/21/83/1033062183.db2.gz UUBUJRONQONVGG-HKUYNNGSSA-N 2 1 344.499 3.533 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602664204 1033062198 /nfs/dbraw/zinc/06/21/98/1033062198.db2.gz UUBUJRONQONVGG-HKUYNNGSSA-N 2 1 344.499 3.533 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414930342 1022680641 /nfs/dbraw/zinc/68/06/41/1022680641.db2.gz ANCIFVVIHSJBJS-VQIMIIECSA-N 2 1 340.515 3.566 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)oc2c1 ZINC000426036221 1022719041 /nfs/dbraw/zinc/71/90/41/1022719041.db2.gz PLKAVCVBYKXCKO-KRWDZBQOSA-N 2 1 343.515 3.665 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200573 1022722527 /nfs/dbraw/zinc/72/25/27/1022722527.db2.gz OHRLCXWGCFZLQS-RDJZCZTQSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200573 1022722544 /nfs/dbraw/zinc/72/25/44/1022722544.db2.gz OHRLCXWGCFZLQS-RDJZCZTQSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000550200573 1022722559 /nfs/dbraw/zinc/72/25/59/1022722559.db2.gz OHRLCXWGCFZLQS-RDJZCZTQSA-N 2 1 342.405 3.544 20 0 EHADMP COc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978114 1022742922 /nfs/dbraw/zinc/74/29/22/1022742922.db2.gz JFFBBHNRDUOHPJ-IHWFROFDSA-N 2 1 340.511 3.765 20 0 EHADMP Cc1ncsc1CC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471871709 1022776232 /nfs/dbraw/zinc/77/62/32/1022776232.db2.gz MPFBPCNLVPBUEC-OALUTQOASA-N 2 1 343.540 3.666 20 0 EHADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981761 1022785049 /nfs/dbraw/zinc/78/50/49/1022785049.db2.gz IUSMFAORJRESOG-HBKVBMIASA-N 2 1 333.564 3.634 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414934874 1022797434 /nfs/dbraw/zinc/79/74/34/1022797434.db2.gz VMZOBNUZJAZTCS-APWZRJJASA-N 2 1 345.531 3.895 20 0 EHADMP COc1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)c1 ZINC001167982114 1022815353 /nfs/dbraw/zinc/81/53/53/1022815353.db2.gz XLDZKNAGISUFLO-QYYYHEGRSA-N 2 1 341.499 3.536 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)c2)CCO1 ZINC000510654750 1022835911 /nfs/dbraw/zinc/83/59/11/1022835911.db2.gz BHNRYDIFBZRLLD-DUXKGJEZSA-N 2 1 348.506 3.915 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)c2)CCO1 ZINC000510654750 1022835930 /nfs/dbraw/zinc/83/59/30/1022835930.db2.gz BHNRYDIFBZRLLD-DUXKGJEZSA-N 2 1 348.506 3.915 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000925079093 1022838028 /nfs/dbraw/zinc/83/80/28/1022838028.db2.gz DUUREJGURWRBNB-FBIZOPLVSA-N 2 1 328.500 3.759 20 0 EHADMP Cc1cc[nH+]c(N)c1CNc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000894359487 1022849356 /nfs/dbraw/zinc/84/93/56/1022849356.db2.gz QCGMDFIUTBIIDS-UHFFFAOYSA-N 2 1 338.499 3.859 20 0 EHADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000189037830 1022955661 /nfs/dbraw/zinc/95/56/61/1022955661.db2.gz OZJQSKNKGREAFC-NSHDSACASA-N 2 1 332.797 3.933 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH2+]1 ZINC000414946802 1022979145 /nfs/dbraw/zinc/97/91/45/1022979145.db2.gz KCZFYPWXCUTWIN-RDTXWAMCSA-N 2 1 345.874 3.544 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647217223 1023082518 /nfs/dbraw/zinc/08/25/18/1023082518.db2.gz FGTLFFMRPOQPEN-IOJLRTSASA-N 2 1 328.500 3.731 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647217223 1023082527 /nfs/dbraw/zinc/08/25/27/1023082527.db2.gz FGTLFFMRPOQPEN-IOJLRTSASA-N 2 1 328.500 3.731 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000518265149 1023174635 /nfs/dbraw/zinc/17/46/35/1023174635.db2.gz SKYQYWLVAPCUBW-PVAVHDDUSA-N 2 1 328.422 3.728 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268744 1023178121 /nfs/dbraw/zinc/17/81/21/1023178121.db2.gz WBHKFUUAIDNCBM-RBFDBLARSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268744 1023178126 /nfs/dbraw/zinc/17/81/26/1023178126.db2.gz WBHKFUUAIDNCBM-RBFDBLARSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268744 1023178134 /nfs/dbraw/zinc/17/81/34/1023178134.db2.gz WBHKFUUAIDNCBM-RBFDBLARSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268744 1023178141 /nfs/dbraw/zinc/17/81/41/1023178141.db2.gz WBHKFUUAIDNCBM-RBFDBLARSA-N 2 1 338.442 3.965 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000518268744 1023178145 /nfs/dbraw/zinc/17/81/45/1023178145.db2.gz WBHKFUUAIDNCBM-RBFDBLARSA-N 2 1 338.442 3.965 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429520 1023293440 /nfs/dbraw/zinc/29/34/40/1023293440.db2.gz JQJYRRDSIWCGDG-GUYCJALGSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429520 1023293447 /nfs/dbraw/zinc/29/34/47/1023293447.db2.gz JQJYRRDSIWCGDG-GUYCJALGSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429520 1023293449 /nfs/dbraw/zinc/29/34/49/1023293449.db2.gz JQJYRRDSIWCGDG-GUYCJALGSA-N 2 1 339.321 3.920 20 0 EHADMP C[N@@H+](CCOc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746890 1023294659 /nfs/dbraw/zinc/29/46/59/1023294659.db2.gz YHILUXJXRDSKIN-FUNVUKJBSA-N 2 1 329.271 3.587 20 0 EHADMP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449737137 1033134562 /nfs/dbraw/zinc/13/45/62/1033134562.db2.gz YSHIMOSNVFUZHE-LJQANCHMSA-N 2 1 337.511 3.884 20 0 EHADMP CC(C)[NH+](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000092559740 1023403823 /nfs/dbraw/zinc/40/38/23/1023403823.db2.gz ATIRCNBBTJONBJ-UHFFFAOYSA-N 2 1 326.525 3.595 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)s1 ZINC000276951155 1023455760 /nfs/dbraw/zinc/45/57/60/1023455760.db2.gz ORHYJUCWZFFDIG-GHMZBOCLSA-N 2 1 340.290 3.620 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897773089 1033160734 /nfs/dbraw/zinc/16/07/34/1033160734.db2.gz FXSONWRKDMFMCS-URAFECJSSA-N 2 1 340.511 3.902 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897773089 1033160749 /nfs/dbraw/zinc/16/07/49/1033160749.db2.gz FXSONWRKDMFMCS-URAFECJSSA-N 2 1 340.511 3.902 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000514087963 1024121898 /nfs/dbraw/zinc/12/18/98/1024121898.db2.gz JLYXGUHZBQMHNY-WBVHZDCISA-N 2 1 334.504 3.927 20 0 EHADMP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178977430 1024172993 /nfs/dbraw/zinc/17/29/93/1024172993.db2.gz QEPNRRICIZQEBZ-INIZCTEOSA-N 2 1 338.927 3.637 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022504 1024213318 /nfs/dbraw/zinc/21/33/18/1024213318.db2.gz SRSAZFOQKSBUJZ-CEQLMSFQSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168022504 1024213339 /nfs/dbraw/zinc/21/33/39/1024213339.db2.gz SRSAZFOQKSBUJZ-CEQLMSFQSA-N 2 1 341.543 3.504 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000191490144 1024340577 /nfs/dbraw/zinc/34/05/77/1024340577.db2.gz DGHHFKBBOODLRN-UHFFFAOYSA-N 2 1 327.472 3.739 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000191490144 1024340592 /nfs/dbraw/zinc/34/05/92/1024340592.db2.gz DGHHFKBBOODLRN-UHFFFAOYSA-N 2 1 327.472 3.739 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(O)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472036071 1024424629 /nfs/dbraw/zinc/42/46/29/1024424629.db2.gz BCLXOXVCDAUFGI-WMZOPIPTSA-N 2 1 342.458 3.922 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3csc(Br)c3)C2)CC1 ZINC000550573580 1024429612 /nfs/dbraw/zinc/42/96/12/1024429612.db2.gz QTWBZIVXKXOFIE-CQSZACIVSA-N 2 1 343.334 3.674 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000280965517 1024498489 /nfs/dbraw/zinc/49/84/89/1024498489.db2.gz SQPVKCHWBXSNND-FGTMMUONSA-N 2 1 348.531 3.906 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000137203214 1024554498 /nfs/dbraw/zinc/55/44/98/1024554498.db2.gz IARWMGHYGCLSHU-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP Brc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205000803 1024563644 /nfs/dbraw/zinc/56/36/44/1024563644.db2.gz KUXMNLRSIKWPDL-PBHICJAKSA-N 2 1 337.305 3.976 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000346279494 1024595275 /nfs/dbraw/zinc/59/52/75/1024595275.db2.gz QQMSEJXJOUOXOM-UHFFFAOYSA-N 2 1 341.455 3.755 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000346279494 1024595284 /nfs/dbraw/zinc/59/52/84/1024595284.db2.gz QQMSEJXJOUOXOM-UHFFFAOYSA-N 2 1 341.455 3.755 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123339 1024668951 /nfs/dbraw/zinc/66/89/51/1024668951.db2.gz JMZCZWIJSPVANX-IBGZPJMESA-N 2 1 332.394 3.752 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123339 1024668961 /nfs/dbraw/zinc/66/89/61/1024668961.db2.gz JMZCZWIJSPVANX-IBGZPJMESA-N 2 1 332.394 3.752 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123339 1024668967 /nfs/dbraw/zinc/66/89/67/1024668967.db2.gz JMZCZWIJSPVANX-IBGZPJMESA-N 2 1 332.394 3.752 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123339 1024668974 /nfs/dbraw/zinc/66/89/74/1024668974.db2.gz JMZCZWIJSPVANX-IBGZPJMESA-N 2 1 332.394 3.752 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000474019720 1024749973 /nfs/dbraw/zinc/74/99/73/1024749973.db2.gz CKUSKUCKMVHJHJ-PCCBWWKXSA-N 2 1 330.516 3.823 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCCC1 ZINC000665247874 1024852948 /nfs/dbraw/zinc/85/29/48/1024852948.db2.gz LFNIIEGZJADWAF-CYBMUJFWSA-N 2 1 329.307 3.823 20 0 EHADMP CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435381662 1024863540 /nfs/dbraw/zinc/86/35/40/1024863540.db2.gz VFLNWPRBPFVHCO-HXUWFJFHSA-N 2 1 339.483 3.625 20 0 EHADMP CC[N@@H+](Cc1cc(-c2ccncc2)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435387113 1024872732 /nfs/dbraw/zinc/87/27/32/1024872732.db2.gz XDJLREVACSUKHT-FQEVSTJZSA-N 2 1 339.483 3.721 20 0 EHADMP Cc1cc[nH+]c(N)c1CNc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000895862099 1024905641 /nfs/dbraw/zinc/90/56/41/1024905641.db2.gz BYXHXNIVSYEDKW-UHFFFAOYSA-N 2 1 338.377 3.665 20 0 EHADMP Cc1cc(C)cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435436750 1024924845 /nfs/dbraw/zinc/92/48/45/1024924845.db2.gz GVKTYMKBPVLIIV-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1cc(C)cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435436750 1024924857 /nfs/dbraw/zinc/92/48/57/1024924857.db2.gz GVKTYMKBPVLIIV-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H](C)Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435438431 1024926829 /nfs/dbraw/zinc/92/68/29/1024926829.db2.gz PUQVGHUFYOKSHC-LPHOPBHVSA-N 2 1 343.540 3.742 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000157649836 1024991797 /nfs/dbraw/zinc/99/17/97/1024991797.db2.gz LYUPHCGIPGQURO-PBHICJAKSA-N 2 1 330.497 3.996 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000157649836 1024991808 /nfs/dbraw/zinc/99/18/08/1024991808.db2.gz LYUPHCGIPGQURO-PBHICJAKSA-N 2 1 330.497 3.996 20 0 EHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000474470596 1025002369 /nfs/dbraw/zinc/00/23/69/1025002369.db2.gz DZJPTPMJOFTPIU-PZJWPPBQSA-N 2 1 330.516 3.754 20 0 EHADMP CC[C@H](C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000474480868 1025028749 /nfs/dbraw/zinc/02/87/49/1025028749.db2.gz VBQIAUGFYOTBQG-LZLYRXPVSA-N 2 1 334.504 3.660 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168012555 1025115018 /nfs/dbraw/zinc/11/50/18/1025115018.db2.gz CALQCFHQFJKOAB-HATOLVCRSA-N 3 1 343.559 3.750 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168012555 1025115026 /nfs/dbraw/zinc/11/50/26/1025115026.db2.gz CALQCFHQFJKOAB-HATOLVCRSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443979719 1025133221 /nfs/dbraw/zinc/13/32/21/1025133221.db2.gz BIBGBTYURVZJMG-LBPRGKRZSA-N 2 1 335.439 3.906 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000435785905 1025148946 /nfs/dbraw/zinc/14/89/46/1025148946.db2.gz DYUAICQZKRARAG-UHFFFAOYSA-N 2 1 326.488 3.527 20 0 EHADMP COC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725577 1025190078 /nfs/dbraw/zinc/19/00/78/1025190078.db2.gz OZFHVTKWHZISAI-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000469725577 1025190082 /nfs/dbraw/zinc/19/00/82/1025190082.db2.gz OZFHVTKWHZISAI-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453223454 1025252022 /nfs/dbraw/zinc/25/20/22/1025252022.db2.gz RMKIWSXSLRLFJH-ZLNRFVROSA-N 2 1 349.522 3.965 20 0 EHADMP CCCc1nc(C)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000428300238 1025407519 /nfs/dbraw/zinc/40/75/19/1025407519.db2.gz HFIZWYHIAOYVOA-UHFFFAOYSA-N 2 1 342.487 3.679 20 0 EHADMP CC[N@H+](CCCC(=O)OC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041668 1025466431 /nfs/dbraw/zinc/46/64/31/1025466431.db2.gz VHYKVYIXACYXIG-QZTJIDSGSA-N 2 1 346.515 3.703 20 0 EHADMP CC[N@@H+](CCCC(=O)OC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041668 1025466439 /nfs/dbraw/zinc/46/64/39/1025466439.db2.gz VHYKVYIXACYXIG-QZTJIDSGSA-N 2 1 346.515 3.703 20 0 EHADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347081343 1025501847 /nfs/dbraw/zinc/50/18/47/1025501847.db2.gz YCQKXMFIPVNRBI-UFRUDQCGSA-N 2 1 346.478 3.740 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccc(C)cc3[nH]2)[C@@H](C)C1 ZINC000657362683 1025510382 /nfs/dbraw/zinc/51/03/82/1025510382.db2.gz GBECHRTYVQFTAY-PXNSSMCTSA-N 2 1 343.515 3.703 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccc(C)cc3[nH]2)[C@H](C)C1 ZINC000657362685 1025510447 /nfs/dbraw/zinc/51/04/47/1025510447.db2.gz GBECHRTYVQFTAY-XLIONFOSSA-N 2 1 343.515 3.703 20 0 EHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(F)c(Br)cc1F ZINC000530219163 1025513285 /nfs/dbraw/zinc/51/32/85/1025513285.db2.gz ZJTFNHKIRMXCSD-AEJSXWLSSA-N 2 1 333.220 3.648 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2)o1 ZINC000442861051 1025531333 /nfs/dbraw/zinc/53/13/33/1025531333.db2.gz CXCDEJQYUYKOEY-KRWDZBQOSA-N 2 1 341.499 3.623 20 0 EHADMP CC(C)N([C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C[NH3+] ZINC001168041990 1025535106 /nfs/dbraw/zinc/53/51/06/1025535106.db2.gz XJWWZDRQNXGKIQ-OPVJXMOQSA-N 2 1 331.548 3.876 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1(C)C ZINC000442870790 1025543353 /nfs/dbraw/zinc/54/33/53/1025543353.db2.gz AANXSOIUWQOYIF-IBGZPJMESA-N 2 1 349.538 3.919 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1Cl ZINC000442875822 1025548197 /nfs/dbraw/zinc/54/81/97/1025548197.db2.gz OWASCFOROIWXJH-CYBMUJFWSA-N 2 1 344.330 3.670 20 0 EHADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442927582 1025591178 /nfs/dbraw/zinc/59/11/78/1025591178.db2.gz OEZQPYNPTOPQID-LBPRGKRZSA-N 2 1 343.334 3.732 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299321 1025598031 /nfs/dbraw/zinc/59/80/31/1025598031.db2.gz KMJNHEMGDFGFDK-BHIYHBOVSA-N 2 1 338.499 3.760 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657373933 1025667964 /nfs/dbraw/zinc/66/79/64/1025667964.db2.gz AXSRAJWLUCRONR-UHFFFAOYSA-N 2 1 327.350 3.502 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374623 1025683893 /nfs/dbraw/zinc/68/38/93/1025683893.db2.gz OIOGANHUWUUKGA-QAPCUYQASA-N 2 1 332.517 3.527 20 0 EHADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374623 1025683897 /nfs/dbraw/zinc/68/38/97/1025683897.db2.gz OIOGANHUWUUKGA-QAPCUYQASA-N 2 1 332.517 3.527 20 0 EHADMP Clc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960780 1025690739 /nfs/dbraw/zinc/69/07/39/1025690739.db2.gz CGNAPYXDNFVQGK-ALOPSCKCSA-N 2 1 334.891 3.714 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000347252250 1025729127 /nfs/dbraw/zinc/72/91/27/1025729127.db2.gz BKWRREQCNRQHOE-OAHLLOKOSA-N 2 1 338.377 3.739 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000530460201 1025873807 /nfs/dbraw/zinc/87/38/07/1025873807.db2.gz UUQAEXCLTIPXGG-IBGZPJMESA-N 2 1 325.843 3.995 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000522036241 1025902330 /nfs/dbraw/zinc/90/23/30/1025902330.db2.gz PBRQGPHWQCEUOJ-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000522036241 1025902346 /nfs/dbraw/zinc/90/23/46/1025902346.db2.gz PBRQGPHWQCEUOJ-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000522036241 1025902363 /nfs/dbraw/zinc/90/23/63/1025902363.db2.gz PBRQGPHWQCEUOJ-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000522036241 1025902381 /nfs/dbraw/zinc/90/23/81/1025902381.db2.gz PBRQGPHWQCEUOJ-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582359808 1025951160 /nfs/dbraw/zinc/95/11/60/1025951160.db2.gz KQPDXWFRSFXLOO-NRFANRHFSA-N 3 1 341.543 3.505 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582359808 1025951166 /nfs/dbraw/zinc/95/11/66/1025951166.db2.gz KQPDXWFRSFXLOO-NRFANRHFSA-N 3 1 341.543 3.505 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(SCC(F)(F)F)cc1 ZINC000530513269 1025985820 /nfs/dbraw/zinc/98/58/20/1025985820.db2.gz YLNMKKKWYOURIW-LBPRGKRZSA-N 2 1 343.418 3.968 20 0 EHADMP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000780533445 1026089765 /nfs/dbraw/zinc/08/97/65/1026089765.db2.gz RUTLLVWBPPYYRC-HMXCVIKNSA-N 2 1 328.500 3.556 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000152487748 1026224827 /nfs/dbraw/zinc/22/48/27/1026224827.db2.gz HLFCARWILGOSNV-SUMWQHHRSA-N 2 1 337.305 3.974 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000152487748 1026224835 /nfs/dbraw/zinc/22/48/35/1026224835.db2.gz HLFCARWILGOSNV-SUMWQHHRSA-N 2 1 337.305 3.974 20 0 EHADMP C[C@H]1CC(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056539 1026229326 /nfs/dbraw/zinc/22/93/26/1026229326.db2.gz FXRMGKZPLFQUQN-MMKMLUHNSA-N 2 1 341.543 3.597 20 0 EHADMP c1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccc1 ZINC000475219593 1026399040 /nfs/dbraw/zinc/39/90/40/1026399040.db2.gz KDVFQBQAVJKHCK-LJQANCHMSA-N 2 1 346.478 3.688 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)cc1 ZINC000475263618 1026423350 /nfs/dbraw/zinc/42/33/50/1026423350.db2.gz CMKSFFDNNVYLSW-CLAROIROSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H](CC[NH2+]CC1=Cc2ccccc2OC1)[N@@H+](C)Cc1ccccc1 ZINC000531094445 1026564774 /nfs/dbraw/zinc/56/47/74/1026564774.db2.gz DEPWVFWTTKWSAE-GOSISDBHSA-N 2 1 336.479 3.963 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000897471123 1027224272 /nfs/dbraw/zinc/22/42/72/1027224272.db2.gz KVJHOFLDDBJPCE-XJKCOSOUSA-N 2 1 325.294 3.625 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000657561925 1027299377 /nfs/dbraw/zinc/29/93/77/1027299377.db2.gz DQRMRRMEAVZABP-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561925 1027299393 /nfs/dbraw/zinc/29/93/93/1027299393.db2.gz DQRMRRMEAVZABP-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561925 1027299410 /nfs/dbraw/zinc/29/94/10/1027299410.db2.gz DQRMRRMEAVZABP-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000453082865 1027341619 /nfs/dbraw/zinc/34/16/19/1027341619.db2.gz RJPWVBLPPXOCOZ-XSDIEEQYSA-N 2 1 328.500 3.588 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273430423 1027425405 /nfs/dbraw/zinc/42/54/05/1027425405.db2.gz VLWMHUQZWNDBFJ-FQEVSTJZSA-N 2 1 349.950 3.725 20 0 EHADMP Cc1c(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccccc12 ZINC000324007185 1027430431 /nfs/dbraw/zinc/43/04/31/1027430431.db2.gz NGLMAYRGHYTYHS-GASCZTMLSA-N 2 1 329.875 3.628 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000420311152 1027457737 /nfs/dbraw/zinc/45/77/37/1027457737.db2.gz NJDFZUWHEANFTE-MOPGFXCFSA-N 2 1 339.483 3.724 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000420311152 1027457749 /nfs/dbraw/zinc/45/77/49/1027457749.db2.gz NJDFZUWHEANFTE-MOPGFXCFSA-N 2 1 339.483 3.724 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000273503222 1027461865 /nfs/dbraw/zinc/46/18/65/1027461865.db2.gz ZDVSPXYVXQRQDN-RYRKJORJSA-N 2 1 329.513 3.747 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000420318733 1027467793 /nfs/dbraw/zinc/46/77/93/1027467793.db2.gz OPCZBJRNHOBCLC-CJNGLKHVSA-N 2 1 333.501 3.504 20 0 EHADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420328295 1027479533 /nfs/dbraw/zinc/47/95/33/1027479533.db2.gz ZCESDPWZJADMNY-LSDHHAIUSA-N 2 1 344.421 3.714 20 0 EHADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)o1 ZINC000420332663 1027481625 /nfs/dbraw/zinc/48/16/25/1027481625.db2.gz GTZQFROTSWVPFO-INIZCTEOSA-N 2 1 331.485 3.676 20 0 EHADMP Brc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)s1 ZINC000420363179 1027491948 /nfs/dbraw/zinc/49/19/48/1027491948.db2.gz BIJJTTTUQCKLHB-RYUDHWBXSA-N 2 1 329.307 3.647 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1 ZINC000420412736 1027528983 /nfs/dbraw/zinc/52/89/83/1027528983.db2.gz SPCVUQRXGFVCKX-JSGCOSHPSA-N 2 1 336.838 3.881 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000342844077 1027603487 /nfs/dbraw/zinc/60/34/87/1027603487.db2.gz XSIIUIGLQTVKRM-UHFFFAOYSA-N 2 1 330.435 3.865 20 0 EHADMP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000342867275 1027741467 /nfs/dbraw/zinc/74/14/67/1027741467.db2.gz AEXGTIVVCMGEMX-UHFFFAOYSA-N 2 1 341.524 3.940 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)NC(C)(C)CC[NH3+])C1CCCCC1 ZINC000422558839 1027787403 /nfs/dbraw/zinc/78/74/03/1027787403.db2.gz PNOQJQAUGLYTSL-UHFFFAOYSA-N 2 1 346.519 3.700 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)cc1 ZINC000422564978 1027791403 /nfs/dbraw/zinc/79/14/03/1027791403.db2.gz XGKXMRCRZOPPJA-FMKPAKJESA-N 2 1 345.512 3.624 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)cc1 ZINC000422564978 1027791408 /nfs/dbraw/zinc/79/14/08/1027791408.db2.gz XGKXMRCRZOPPJA-FMKPAKJESA-N 2 1 345.512 3.624 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCc2cccnc2)CC3)cc1 ZINC000342874330 1027813904 /nfs/dbraw/zinc/81/39/04/1027813904.db2.gz PTHZDOODYBFCHQ-UHFFFAOYSA-N 2 1 335.495 3.612 20 0 EHADMP CC(C)OC1CC([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355105 1027884045 /nfs/dbraw/zinc/88/40/45/1027884045.db2.gz AYILBRVONLZGAB-OVESXRPUSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355105 1027884067 /nfs/dbraw/zinc/88/40/67/1027884067.db2.gz AYILBRVONLZGAB-OVESXRPUSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000459355105 1027884091 /nfs/dbraw/zinc/88/40/91/1027884091.db2.gz AYILBRVONLZGAB-OVESXRPUSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000459355105 1027884115 /nfs/dbraw/zinc/88/41/15/1027884115.db2.gz AYILBRVONLZGAB-OVESXRPUSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422762482 1027941310 /nfs/dbraw/zinc/94/13/10/1027941310.db2.gz IFQWJRHZZCUPNR-LQWHRVPQSA-N 2 1 338.451 3.889 20 0 EHADMP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422787837 1027943504 /nfs/dbraw/zinc/94/35/04/1027943504.db2.gz QOGFVPUURHVYNG-NIKGAXFTSA-N 2 1 332.875 3.576 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C2(CCC2)C1 ZINC000421009428 1027958788 /nfs/dbraw/zinc/95/87/88/1027958788.db2.gz QCUAELGVWMGYKM-FQEVSTJZSA-N 2 1 328.500 3.552 20 0 EHADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1c[nH+]ccc1N ZINC000422883544 1028018210 /nfs/dbraw/zinc/01/82/10/1028018210.db2.gz QSAOQVPSSFRYKQ-IAGOWNOFSA-N 2 1 338.499 3.719 20 0 EHADMP COc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000422935438 1028063280 /nfs/dbraw/zinc/06/32/80/1028063280.db2.gz AKHOZOLAWCCGFJ-QUCCMNQESA-N 2 1 328.431 3.655 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000533558521 1028077977 /nfs/dbraw/zinc/07/79/77/1028077977.db2.gz YBLJTRQVMPMHBS-UHFFFAOYSA-N 2 1 339.911 3.688 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000533558521 1028077990 /nfs/dbraw/zinc/07/79/90/1028077990.db2.gz YBLJTRQVMPMHBS-UHFFFAOYSA-N 2 1 339.911 3.688 20 0 EHADMP c1coc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967035 1028079088 /nfs/dbraw/zinc/07/90/88/1028079088.db2.gz SBSWIJYZFNSXAQ-WTGUMLROSA-N 2 1 345.531 3.707 20 0 EHADMP C[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCCC[NH2+]1 ZINC000422990451 1028100750 /nfs/dbraw/zinc/10/07/50/1028100750.db2.gz CAQJTGBRYDMHQZ-DYESRHJHSA-N 2 1 341.499 3.532 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006341 1028117737 /nfs/dbraw/zinc/11/77/37/1028117737.db2.gz VGEJGGPUFSKUOD-BVOGOJNSSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCCC[C@@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006341 1028117754 /nfs/dbraw/zinc/11/77/54/1028117754.db2.gz VGEJGGPUFSKUOD-BVOGOJNSSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCCC[C@@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006341 1028117770 /nfs/dbraw/zinc/11/77/70/1028117770.db2.gz VGEJGGPUFSKUOD-BVOGOJNSSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000423021036 1028130140 /nfs/dbraw/zinc/13/01/40/1028130140.db2.gz BAIKTRBQCPLKEL-LLVKDONJSA-N 2 1 340.254 3.668 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)OC(C)C ZINC000423048388 1028132662 /nfs/dbraw/zinc/13/26/62/1028132662.db2.gz HUCCGRHVHMMMDH-ZJOUEHCJSA-N 2 1 340.467 3.896 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423026121 1028137036 /nfs/dbraw/zinc/13/70/36/1028137036.db2.gz ANMLKWCRGHWTJK-IRLDBZIGSA-N 2 1 346.478 3.764 20 0 EHADMP CCCCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000414714667 1028155961 /nfs/dbraw/zinc/15/59/61/1028155961.db2.gz MCDMHFMMFDZLMV-SFHVURJKSA-N 2 1 334.504 3.838 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423087590 1028173788 /nfs/dbraw/zinc/17/37/88/1028173788.db2.gz PXVYYYOVODKDOG-GVJIXFOXSA-N 2 1 342.527 3.660 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)c2ccccc21 ZINC000423120202 1028191564 /nfs/dbraw/zinc/19/15/64/1028191564.db2.gz FXYLBOBSUPDZFK-NJDAHSKKSA-N 2 1 334.463 3.815 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000503925679 1028215156 /nfs/dbraw/zinc/21/51/56/1028215156.db2.gz DHZCNHHKRHKRCY-WBVHZDCISA-N 2 1 332.479 3.539 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134505 1028222418 /nfs/dbraw/zinc/22/24/18/1028222418.db2.gz MHRFYVPGBRDVOR-BKTGTZMESA-N 2 1 336.414 3.807 20 0 EHADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423168919 1028240124 /nfs/dbraw/zinc/24/01/24/1028240124.db2.gz VJFKORULUVQZMF-JUSBFGHESA-N 2 1 348.918 3.723 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423171487 1028240552 /nfs/dbraw/zinc/24/05/52/1028240552.db2.gz OQJNMJURHALIKN-MFKMUULPSA-N 2 1 331.685 3.580 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@H](C)C1 ZINC000246332982 1028242718 /nfs/dbraw/zinc/24/27/18/1028242718.db2.gz GISDUSICZRCXAU-CZAAIQMYSA-N 2 1 348.506 3.930 20 0 EHADMP Cc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423175490 1028245476 /nfs/dbraw/zinc/24/54/76/1028245476.db2.gz DRJNFYBQRFBWAK-GFCCVEGCSA-N 2 1 348.288 3.770 20 0 EHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423191789 1028261312 /nfs/dbraw/zinc/26/13/12/1028261312.db2.gz TYVSJFYUOSGDLN-QGZVFWFLSA-N 2 1 327.472 3.699 20 0 EHADMP CC1CCC(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000414722212 1028272252 /nfs/dbraw/zinc/27/22/52/1028272252.db2.gz LGTSWYQKMSASFD-JCYILVPMSA-N 2 1 333.545 3.914 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421332006 1028301817 /nfs/dbraw/zinc/30/18/17/1028301817.db2.gz KYBFGTWQWWSBBV-UHFFFAOYSA-N 2 1 338.499 3.849 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC(C)(C)[NH3+])CCC3)cc1 ZINC000423283909 1028322193 /nfs/dbraw/zinc/32/21/93/1028322193.db2.gz FVTNSEZIKRYUSZ-CQSZACIVSA-N 2 1 331.485 3.523 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H](C)CC(F)(F)F)sc2C1 ZINC000414515236 1028322954 /nfs/dbraw/zinc/32/29/54/1028322954.db2.gz NAFKRIWWYVZMPP-NSHDSACASA-N 2 1 335.439 3.588 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H](C)CC(F)(F)F)sc2C1 ZINC000414515236 1028322973 /nfs/dbraw/zinc/32/29/73/1028322973.db2.gz NAFKRIWWYVZMPP-NSHDSACASA-N 2 1 335.439 3.588 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423293797 1028352157 /nfs/dbraw/zinc/35/21/57/1028352157.db2.gz ASUXNUGLVKMMFI-DGCLKSJQSA-N 2 1 329.282 3.626 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(C)n1 ZINC000421390830 1028363432 /nfs/dbraw/zinc/36/34/32/1028363432.db2.gz VHBJCURCYJHAIP-FDFHNCONSA-N 2 1 335.495 3.699 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423333678 1028370073 /nfs/dbraw/zinc/37/00/73/1028370073.db2.gz QFBWZYKNZWQQNZ-BDJLRTHQSA-N 2 1 332.822 3.982 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423349322 1028379904 /nfs/dbraw/zinc/37/99/04/1028379904.db2.gz VNZPISSQCKMSTR-UZLBHIALSA-N 2 1 325.456 3.914 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423441206 1028429155 /nfs/dbraw/zinc/42/91/55/1028429155.db2.gz BAQWHOHLQSLVPE-PSASIEDQSA-N 2 1 339.199 3.856 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423470729 1028456073 /nfs/dbraw/zinc/45/60/73/1028456073.db2.gz LXMJCRGJONGKTL-MLBCHFTJSA-N 3 1 341.543 3.537 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423470729 1028456080 /nfs/dbraw/zinc/45/60/80/1028456080.db2.gz LXMJCRGJONGKTL-MLBCHFTJSA-N 2 1 341.543 3.537 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000423487946 1028477318 /nfs/dbraw/zinc/47/73/18/1028477318.db2.gz UYCPITFVTBSSKI-LNRXMEIDSA-N 3 1 341.543 3.551 20 0 EHADMP c1ccc(CN2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000423487946 1028477327 /nfs/dbraw/zinc/47/73/27/1028477327.db2.gz UYCPITFVTBSSKI-LNRXMEIDSA-N 2 1 341.543 3.551 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193979197 1028481067 /nfs/dbraw/zinc/48/10/67/1028481067.db2.gz ZCNLPPAOPMIBOY-QHAWAJNXSA-N 2 1 340.511 3.507 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423520157 1028494942 /nfs/dbraw/zinc/49/49/42/1028494942.db2.gz DUPJPOYZEAYMKZ-ILAVUIRHSA-N 2 1 344.499 3.508 20 0 EHADMP CCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1 ZINC000423526125 1028497675 /nfs/dbraw/zinc/49/76/75/1028497675.db2.gz YXZRILPYWVMAFI-SOAGJPPSSA-N 2 1 349.950 3.987 20 0 EHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000073381063 1028556418 /nfs/dbraw/zinc/55/64/18/1028556418.db2.gz CRSSTBJCHUUHIG-UHFFFAOYSA-N 2 1 332.488 3.591 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)cc1 ZINC000246476937 1028603346 /nfs/dbraw/zinc/60/33/46/1028603346.db2.gz QYLBZYIHKJBJCL-JKSBSHDWSA-N 2 1 349.478 3.823 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000421684260 1028675056 /nfs/dbraw/zinc/67/50/56/1028675056.db2.gz JGZWBIOJOFZJAP-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP FC(F)(F)c1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414767756 1028701737 /nfs/dbraw/zinc/70/17/37/1028701737.db2.gz KJNGUIDWTMPPGO-TXEJJXNPSA-N 2 1 332.797 3.790 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000532731984 1028761232 /nfs/dbraw/zinc/76/12/32/1028761232.db2.gz KMHVFCPJMBLQKH-CJNGLKHVSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000532731984 1028761249 /nfs/dbraw/zinc/76/12/49/1028761249.db2.gz KMHVFCPJMBLQKH-CJNGLKHVSA-N 2 1 330.394 3.747 20 0 EHADMP COCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000123032992 1028797692 /nfs/dbraw/zinc/79/76/92/1028797692.db2.gz UGSITGBGVSUHNA-UHFFFAOYSA-N 2 1 348.506 3.629 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826338 1028813992 /nfs/dbraw/zinc/81/39/92/1028813992.db2.gz RXMWDNRSGOASCL-FOIQADDNSA-N 2 1 334.479 3.995 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826338 1028814012 /nfs/dbraw/zinc/81/40/12/1028814012.db2.gz RXMWDNRSGOASCL-FOIQADDNSA-N 2 1 334.479 3.995 20 0 EHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000421861963 1028853315 /nfs/dbraw/zinc/85/33/15/1028853315.db2.gz WQVUWZDMFZOGJW-HUUCEWRRSA-N 2 1 340.895 3.500 20 0 EHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000421861963 1028853332 /nfs/dbraw/zinc/85/33/32/1028853332.db2.gz WQVUWZDMFZOGJW-HUUCEWRRSA-N 2 1 340.895 3.500 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248438303 1028903361 /nfs/dbraw/zinc/90/33/61/1028903361.db2.gz HUDSQKFMLDGCJW-IERDGZPVSA-N 2 1 342.458 3.633 20 0 EHADMP CCc1csc([C@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275983 1028947081 /nfs/dbraw/zinc/94/70/81/1028947081.db2.gz BKGFOQUGHRPXDQ-JKSUJKDBSA-N 2 1 347.503 3.767 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1coc(-c3ccc(F)c(F)c3)n1)CC[NH2+]CC2 ZINC000424284137 1028959279 /nfs/dbraw/zinc/95/92/79/1028959279.db2.gz CRLRVDAKAFTXLW-ZDUSSCGKSA-N 2 1 347.409 3.584 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000424368575 1029030716 /nfs/dbraw/zinc/03/07/16/1029030716.db2.gz AOTKXOSVJASNFP-OAHLLOKOSA-N 2 1 327.497 3.774 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)s2)o1 ZINC000424378853 1029036635 /nfs/dbraw/zinc/03/66/35/1029036635.db2.gz OAVBBVXGDKSQTA-ZDUSSCGKSA-N 2 1 331.485 3.676 20 0 EHADMP c1sc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787252 1029050549 /nfs/dbraw/zinc/05/05/49/1029050549.db2.gz VPUCFHJQSOHAOP-IAGOWNOFSA-N 2 1 327.497 3.632 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]([NH3+])C(C)C)o1 ZINC000414787340 1029076094 /nfs/dbraw/zinc/07/60/94/1029076094.db2.gz CECLNOHYWDHXDO-SFHVURJKSA-N 2 1 338.455 3.514 20 0 EHADMP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789263 1029079627 /nfs/dbraw/zinc/07/96/27/1029079627.db2.gz YGINFCOEFAVIBG-IRXDYDNUSA-N 2 1 347.934 3.762 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271759834 1029158348 /nfs/dbraw/zinc/15/83/48/1029158348.db2.gz ZJFMSVDTMDTNCH-SJCJKPOMSA-N 2 1 345.314 3.879 20 0 EHADMP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737572 1029210958 /nfs/dbraw/zinc/21/09/58/1029210958.db2.gz RASIEVMKHRYNBQ-WTGUMLROSA-N 2 1 330.516 3.569 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCC[NH+]2CCCC2)C3)cc1 ZINC000245763321 1029261247 /nfs/dbraw/zinc/26/12/47/1029261247.db2.gz VYFQMXHGTJEODQ-DKUWSORSSA-N 3 1 341.543 3.648 20 0 EHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCC[NH+]2CCCC2)C3)cc1 ZINC000245763321 1029261261 /nfs/dbraw/zinc/26/12/61/1029261261.db2.gz VYFQMXHGTJEODQ-DKUWSORSSA-N 2 1 341.543 3.648 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809535 1029261392 /nfs/dbraw/zinc/26/13/92/1029261392.db2.gz GVBQYTWADHAYOD-STQMWFEESA-N 2 1 345.409 3.530 20 0 EHADMP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000272068728 1029297894 /nfs/dbraw/zinc/29/78/94/1029297894.db2.gz UXNKZFDLFLUUFK-YADHBBJMSA-N 2 1 344.543 3.877 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816556 1029366919 /nfs/dbraw/zinc/36/69/19/1029366919.db2.gz PZSRDSDEHGFYQX-FGSXEWAUSA-N 3 1 337.511 3.849 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000414816556 1029366938 /nfs/dbraw/zinc/36/69/38/1029366938.db2.gz PZSRDSDEHGFYQX-FGSXEWAUSA-N 3 1 337.511 3.849 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000272383026 1029441499 /nfs/dbraw/zinc/44/14/99/1029441499.db2.gz FMQAWFVAQAEREX-OWZKRDHZSA-N 2 1 341.524 3.779 20 0 EHADMP [NH3+][C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000414827068 1029444368 /nfs/dbraw/zinc/44/43/68/1029444368.db2.gz GLWFOYXMHWNOAM-FQEVSTJZSA-N 2 1 343.902 3.594 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000272402108 1029448627 /nfs/dbraw/zinc/44/86/27/1029448627.db2.gz ZBYMFPHTALBIED-UHFFFAOYSA-N 2 1 342.483 3.799 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cc2)cc1 ZINC000261649656 1029469210 /nfs/dbraw/zinc/46/92/10/1029469210.db2.gz HDWHEMKMNKNZPW-HXUWFJFHSA-N 2 1 326.440 3.658 20 0 EHADMP C[NH+](C)Cc1cc(NC(=O)c2ccccc2C[NH+](C)C)ccc1Cl ZINC000487519382 1029477177 /nfs/dbraw/zinc/47/71/77/1029477177.db2.gz LAAVWZGQVBKZSE-UHFFFAOYSA-N 2 1 345.874 3.716 20 0 EHADMP Nc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000261710769 1029486831 /nfs/dbraw/zinc/48/68/31/1029486831.db2.gz PPJBXYZNAAHPTC-QFIPXVFZSA-N 2 1 335.495 3.757 20 0 EHADMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261953056 1029537709 /nfs/dbraw/zinc/53/77/09/1029537709.db2.gz OFYMBRFVNSVPFC-LSDHHAIUSA-N 2 1 344.421 3.714 20 0 EHADMP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272704973 1029572645 /nfs/dbraw/zinc/57/26/45/1029572645.db2.gz TWJAXPNLCQYSBB-RTBURBONSA-N 2 1 341.543 3.898 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)ncn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696261 1029741290 /nfs/dbraw/zinc/74/12/90/1029741290.db2.gz HBUHTGHCDOMCBL-AEFFLSMTSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508696261 1029741296 /nfs/dbraw/zinc/74/12/96/1029741296.db2.gz HBUHTGHCDOMCBL-AEFFLSMTSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696261 1029741302 /nfs/dbraw/zinc/74/13/02/1029741302.db2.gz HBUHTGHCDOMCBL-AEFFLSMTSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508692382 1029746357 /nfs/dbraw/zinc/74/63/57/1029746357.db2.gz VRWCXZZBZWIEGK-FCIYXJNOSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692382 1029746365 /nfs/dbraw/zinc/74/63/65/1029746365.db2.gz VRWCXZZBZWIEGK-FCIYXJNOSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692382 1029746373 /nfs/dbraw/zinc/74/63/73/1029746373.db2.gz VRWCXZZBZWIEGK-FCIYXJNOSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000508708535 1029770751 /nfs/dbraw/zinc/77/07/51/1029770751.db2.gz CBEWWHLCQGJBGJ-SJBKTWHCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708535 1029770757 /nfs/dbraw/zinc/77/07/57/1029770757.db2.gz CBEWWHLCQGJBGJ-SJBKTWHCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708535 1029770763 /nfs/dbraw/zinc/77/07/63/1029770763.db2.gz CBEWWHLCQGJBGJ-SJBKTWHCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720408 1029794103 /nfs/dbraw/zinc/79/41/03/1029794103.db2.gz RNSUNDBANRLIRJ-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)N1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508720408 1029794109 /nfs/dbraw/zinc/79/41/09/1029794109.db2.gz RNSUNDBANRLIRJ-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)N1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720408 1029794114 /nfs/dbraw/zinc/79/41/14/1029794114.db2.gz RNSUNDBANRLIRJ-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)on1 ZINC000453219604 1029931327 /nfs/dbraw/zinc/93/13/27/1029931327.db2.gz WHDNWJAFXDNZTI-PWRODBHTSA-N 2 1 339.483 3.558 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@H](C)C1 ZINC000453221462 1029934616 /nfs/dbraw/zinc/93/46/16/1029934616.db2.gz OYVOTAOAIZSXDM-LMMKCTJWSA-N 2 1 348.556 3.603 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453222500 1029936348 /nfs/dbraw/zinc/93/63/48/1029936348.db2.gz QLTHHANXYCKVOF-LWYYNNOASA-N 2 1 330.541 3.772 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000525708530 1030045566 /nfs/dbraw/zinc/04/55/66/1030045566.db2.gz WYCZZOVFTIHUHZ-NHYWBVRUSA-N 2 1 341.282 3.842 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000525708530 1030045575 /nfs/dbraw/zinc/04/55/75/1030045575.db2.gz WYCZZOVFTIHUHZ-NHYWBVRUSA-N 2 1 341.282 3.842 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712147 1030069811 /nfs/dbraw/zinc/06/98/11/1030069811.db2.gz SJUHPCCLYCDJBT-JXFKEZNVSA-N 2 1 339.483 3.707 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453308378 1030080969 /nfs/dbraw/zinc/08/09/69/1030080969.db2.gz LMSWWMXUKAHXDD-WWNPGLIZSA-N 2 1 349.522 3.965 20 0 EHADMP COc1cccnc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453356186 1030149688 /nfs/dbraw/zinc/14/96/88/1030149688.db2.gz HYGXRGQWCXXFKQ-UHFFFAOYSA-N 2 1 339.483 3.623 20 0 EHADMP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453357711 1030152702 /nfs/dbraw/zinc/15/27/02/1030152702.db2.gz LJIZIMZEWHFZCY-YLJYHZDGSA-N 2 1 348.556 3.907 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453359179 1030154427 /nfs/dbraw/zinc/15/44/27/1030154427.db2.gz JXGDACLKKLEXAX-LZBANZJXSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453359179 1030154435 /nfs/dbraw/zinc/15/44/35/1030154435.db2.gz JXGDACLKKLEXAX-LZBANZJXSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453359179 1030154445 /nfs/dbraw/zinc/15/44/45/1030154445.db2.gz JXGDACLKKLEXAX-LZBANZJXSA-N 2 1 342.527 3.932 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000453382867 1030163946 /nfs/dbraw/zinc/16/39/46/1030163946.db2.gz YOKRYNURWHZKDB-DKUWSORSSA-N 2 1 335.495 3.984 20 0 EHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453387023 1030167626 /nfs/dbraw/zinc/16/76/26/1030167626.db2.gz AQWMDGGTVJKJEH-VQTJNVASSA-N 2 1 344.499 3.632 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650723216 1030201628 /nfs/dbraw/zinc/20/16/28/1030201628.db2.gz JHZSVPWEGPMDRQ-HBMCJLEFSA-N 2 1 330.516 3.746 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1cccc2Br)C1CC1 ZINC000453406534 1030215063 /nfs/dbraw/zinc/21/50/63/1030215063.db2.gz RLUWXUPIZBRNQV-KRWDZBQOSA-N 2 1 337.305 3.900 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1Br ZINC000453407559 1030218292 /nfs/dbraw/zinc/21/82/92/1030218292.db2.gz DMFDPFFALSDYTO-ZDUSSCGKSA-N 2 1 325.294 3.974 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2C)cc1 ZINC000531995128 1030246988 /nfs/dbraw/zinc/24/69/88/1030246988.db2.gz ZTKRLDWDWNTENT-KKSFZXQISA-N 2 1 335.451 3.873 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657774219 1030261837 /nfs/dbraw/zinc/26/18/37/1030261837.db2.gz XRMGFRDJMGSVNW-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP COC(=O)C(C)(C)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000525977831 1030265132 /nfs/dbraw/zinc/26/51/32/1030265132.db2.gz RAFDEAROXGSZME-QGZVFWFLSA-N 2 1 338.536 3.552 20 0 EHADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588523 1030323150 /nfs/dbraw/zinc/32/31/50/1030323150.db2.gz VHWFCJZSOWRCHD-HLRQEUIKSA-N 2 1 335.495 3.798 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000482346970 1030346080 /nfs/dbraw/zinc/34/60/80/1030346080.db2.gz BXFOAISSNRFWBY-HZPDHXFCSA-N 2 1 343.515 3.687 20 0 EHADMP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603970 1030359013 /nfs/dbraw/zinc/35/90/13/1030359013.db2.gz YAJAZQVXVRIUHM-YSTOQKLRSA-N 2 1 342.508 3.567 20 0 EHADMP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603970 1030359031 /nfs/dbraw/zinc/35/90/31/1030359031.db2.gz YAJAZQVXVRIUHM-YSTOQKLRSA-N 2 1 342.508 3.567 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cc2)[C@H](C)C1 ZINC000482441582 1030420131 /nfs/dbraw/zinc/42/01/31/1030420131.db2.gz STWFMCHEWULCTN-CTNGQTDRSA-N 2 1 346.559 3.999 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157340468 1030467370 /nfs/dbraw/zinc/46/73/70/1030467370.db2.gz WXPOAOGIXGMDSY-IBGZPJMESA-N 2 1 327.447 3.824 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157340468 1030467389 /nfs/dbraw/zinc/46/73/89/1030467389.db2.gz WXPOAOGIXGMDSY-IBGZPJMESA-N 2 1 327.447 3.824 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000532193256 1030468190 /nfs/dbraw/zinc/46/81/90/1030468190.db2.gz ZGFILASENDKSOD-IEBWSBKVSA-N 2 1 348.531 3.940 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000532193256 1030468198 /nfs/dbraw/zinc/46/81/98/1030468198.db2.gz ZGFILASENDKSOD-IEBWSBKVSA-N 2 1 348.531 3.940 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000532273588 1030520120 /nfs/dbraw/zinc/52/01/20/1030520120.db2.gz BLRBWDAGSFCZMK-UZLBHIALSA-N 2 1 328.500 3.711 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)C[C@H]1c1ccccc1 ZINC000568003635 1030521790 /nfs/dbraw/zinc/52/17/90/1030521790.db2.gz PAIIWHPWUHGDMA-UXHICEINSA-N 2 1 330.516 3.744 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)C[C@H]1c1ccccc1 ZINC000568003635 1030521802 /nfs/dbraw/zinc/52/18/02/1030521802.db2.gz PAIIWHPWUHGDMA-UXHICEINSA-N 2 1 330.516 3.744 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)o1 ZINC000278389519 1030551603 /nfs/dbraw/zinc/55/16/03/1030551603.db2.gz DPQFDQGUUJVFLV-AWEZNQCLSA-N 2 1 328.460 3.623 20 0 EHADMP CCC[N@H+](Cc1ccc(C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417543 1030608231 /nfs/dbraw/zinc/60/82/31/1030608231.db2.gz CSAHWPKQNQMIDQ-UHFFFAOYSA-N 2 1 342.487 3.876 20 0 EHADMP CCC[N@@H+](Cc1ccc(C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417543 1030608252 /nfs/dbraw/zinc/60/82/52/1030608252.db2.gz CSAHWPKQNQMIDQ-UHFFFAOYSA-N 2 1 342.487 3.876 20 0 EHADMP C[C@@H]1C[C@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000482702545 1030653939 /nfs/dbraw/zinc/65/39/39/1030653939.db2.gz BNMPOKWKHNSICZ-IFMALSPDSA-N 2 1 343.559 3.847 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000650755514 1030767691 /nfs/dbraw/zinc/76/76/91/1030767691.db2.gz GSZVCFLZHHSSFH-MRXNPFEDSA-N 2 1 334.467 3.657 20 0 EHADMP COc1cc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001142292500 1030773189 /nfs/dbraw/zinc/77/31/89/1030773189.db2.gz FTLFWXYCAHPPRF-UHFFFAOYSA-N 2 1 331.287 3.776 20 0 EHADMP COc1cc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001142292500 1030773198 /nfs/dbraw/zinc/77/31/98/1030773198.db2.gz FTLFWXYCAHPPRF-UHFFFAOYSA-N 2 1 331.287 3.776 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2s1 ZINC000527351408 1030843029 /nfs/dbraw/zinc/84/30/29/1030843029.db2.gz JXNWZCUCVSTGGG-DOTOQJQBSA-N 2 1 332.513 3.645 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000380420012 1030915476 /nfs/dbraw/zinc/91/54/76/1030915476.db2.gz JRNDFXPRYICPIK-HLLBOEOZSA-N 2 1 335.289 3.653 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCCC2 ZINC000872037380 1030919865 /nfs/dbraw/zinc/91/98/65/1030919865.db2.gz BDUZXIWLAWJRTP-UWWQBHOKSA-N 2 1 332.488 3.544 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCCC2 ZINC000872037380 1030919878 /nfs/dbraw/zinc/91/98/78/1030919878.db2.gz BDUZXIWLAWJRTP-UWWQBHOKSA-N 2 1 332.488 3.544 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000483203668 1031027543 /nfs/dbraw/zinc/02/75/43/1031027543.db2.gz QICSBEAHYVVQGD-KNQAVFIVSA-N 2 1 337.511 3.989 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000483203668 1031027561 /nfs/dbraw/zinc/02/75/61/1031027561.db2.gz QICSBEAHYVVQGD-KNQAVFIVSA-N 2 1 337.511 3.989 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000483247586 1031054656 /nfs/dbraw/zinc/05/46/56/1031054656.db2.gz BYBXMUCEKCMOGJ-KNQAVFIVSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000483247586 1031054668 /nfs/dbraw/zinc/05/46/68/1031054668.db2.gz BYBXMUCEKCMOGJ-KNQAVFIVSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000483247586 1031054684 /nfs/dbraw/zinc/05/46/84/1031054684.db2.gz BYBXMUCEKCMOGJ-KNQAVFIVSA-N 2 1 340.511 3.924 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527646159 1031075772 /nfs/dbraw/zinc/07/57/72/1031075772.db2.gz ROXJQSKPQVLBRW-PMACEKPBSA-N 2 1 330.516 3.803 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CCOCC1 ZINC000527659750 1031085298 /nfs/dbraw/zinc/08/52/98/1031085298.db2.gz MGDNUKRESRDGTF-PMACEKPBSA-N 2 1 330.516 3.803 20 0 EHADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(C(F)(F)F)c1 ZINC000527664424 1031090250 /nfs/dbraw/zinc/09/02/50/1031090250.db2.gz BITSHNCHCIZDKA-MQVJKMGUSA-N 2 1 342.405 3.819 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CCC1CCCCC1 ZINC000483324691 1031116698 /nfs/dbraw/zinc/11/66/98/1031116698.db2.gz PESSWYJVFAOGSL-NRFANRHFSA-N 2 1 330.516 3.703 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3coc(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000483482919 1031188694 /nfs/dbraw/zinc/18/86/94/1031188694.db2.gz DCLMKNLWCRNWHX-CRAIPNDOSA-N 2 1 345.874 3.911 20 0 EHADMP CCC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742082 1031196483 /nfs/dbraw/zinc/19/64/83/1031196483.db2.gz CZFNCCKCEWMTKY-PMACEKPBSA-N 2 1 330.516 3.978 20 0 EHADMP CCC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742082 1031196493 /nfs/dbraw/zinc/19/64/93/1031196493.db2.gz CZFNCCKCEWMTKY-PMACEKPBSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527853108 1031327751 /nfs/dbraw/zinc/32/77/51/1031327751.db2.gz YQMWNATWGCHPQV-QGZVFWFLSA-N 2 1 348.494 4.000 20 0 EHADMP Fc1cc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000483951555 1031406540 /nfs/dbraw/zinc/40/65/40/1031406540.db2.gz GOLLHWDWBVZSEP-HNNXBMFYSA-N 2 1 340.870 3.808 20 0 EHADMP Fc1cc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000483951555 1031406554 /nfs/dbraw/zinc/40/65/54/1031406554.db2.gz GOLLHWDWBVZSEP-HNNXBMFYSA-N 2 1 340.870 3.808 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666993996 1031413804 /nfs/dbraw/zinc/41/38/04/1031413804.db2.gz ZZRZFFSZEVOQCF-KRWDZBQOSA-N 2 1 334.891 3.893 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000527938599 1031460356 /nfs/dbraw/zinc/46/03/56/1031460356.db2.gz ZQNKNBIERRXMJX-OAQYLSRUSA-N 2 1 342.527 3.932 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000527938599 1031460367 /nfs/dbraw/zinc/46/03/67/1031460367.db2.gz ZQNKNBIERRXMJX-OAQYLSRUSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527982262 1031520026 /nfs/dbraw/zinc/52/00/26/1031520026.db2.gz RYVMFQWFEBBUNY-FCHSOHFDSA-N 2 1 347.247 3.546 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000528007663 1031578506 /nfs/dbraw/zinc/57/85/06/1031578506.db2.gz RFVIBIZXOAKBDS-RBHZJQNKSA-N 2 1 330.516 3.831 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC)[C@@H](C)C1 ZINC000484637636 1031807042 /nfs/dbraw/zinc/80/70/42/1031807042.db2.gz JGYODJZOKITTTN-AZUAARDMSA-N 2 1 348.531 3.620 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC)[C@@H](C)C1 ZINC000484637636 1031807055 /nfs/dbraw/zinc/80/70/55/1031807055.db2.gz JGYODJZOKITTTN-AZUAARDMSA-N 2 1 348.531 3.620 20 0 EHADMP COc1ccnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000159037039 1031822744 /nfs/dbraw/zinc/82/27/44/1031822744.db2.gz FNHCTXAAEOCAHK-QGZVFWFLSA-N 2 1 331.504 3.567 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)C1 ZINC000657837592 1032031364 /nfs/dbraw/zinc/03/13/64/1032031364.db2.gz URBFLPDBIOYRIB-FXAWDEMLSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000537961315 1032048566 /nfs/dbraw/zinc/04/85/66/1032048566.db2.gz GQZKKCPWQSIXIN-GDBMZVCRSA-N 2 1 346.462 3.782 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)c1 ZINC000182062612 1032056472 /nfs/dbraw/zinc/05/64/72/1032056472.db2.gz XTXIEPSODGOIEV-INIZCTEOSA-N 2 1 339.483 3.948 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528375002 1033332508 /nfs/dbraw/zinc/33/25/08/1033332508.db2.gz YVFANCSPZHYOBL-UHFFFAOYSA-N 2 1 329.410 3.653 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528375002 1033332515 /nfs/dbraw/zinc/33/25/15/1033332515.db2.gz YVFANCSPZHYOBL-UHFFFAOYSA-N 2 1 329.410 3.653 20 0 EHADMP CC(C)C1CCC(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000685457312 1033347892 /nfs/dbraw/zinc/34/78/92/1033347892.db2.gz WGPSGNQVFZEXLZ-GZNCHQMQSA-N 2 1 335.580 3.549 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470039 1033366469 /nfs/dbraw/zinc/36/64/69/1033366469.db2.gz JOIUNGUEXJWLGE-ZBFHGGJFSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470039 1033366479 /nfs/dbraw/zinc/36/64/79/1033366479.db2.gz JOIUNGUEXJWLGE-ZBFHGGJFSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470039 1033366492 /nfs/dbraw/zinc/36/64/92/1033366492.db2.gz JOIUNGUEXJWLGE-ZBFHGGJFSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470039 1033366501 /nfs/dbraw/zinc/36/65/01/1033366501.db2.gz JOIUNGUEXJWLGE-ZBFHGGJFSA-N 2 1 326.431 3.677 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000657900662 1033442556 /nfs/dbraw/zinc/44/25/56/1033442556.db2.gz JJGHFHRCKZMCRT-PPXMBRMGSA-N 2 1 330.516 3.977 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000657900662 1033442560 /nfs/dbraw/zinc/44/25/60/1033442560.db2.gz JJGHFHRCKZMCRT-PPXMBRMGSA-N 2 1 330.516 3.977 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000044533507 1033508206 /nfs/dbraw/zinc/50/82/06/1033508206.db2.gz RMPQDHDFASQCHO-BZOOQXSSSA-N 2 1 337.305 3.627 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598964373 1033599136 /nfs/dbraw/zinc/59/91/36/1033599136.db2.gz TUWGGPLIIAZCEQ-ZDUSSCGKSA-N 2 1 349.500 3.634 20 0 EHADMP C[C@@H](CSCCF)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000595038259 1033657361 /nfs/dbraw/zinc/65/73/61/1033657361.db2.gz IBZDLHYEQMKJKC-WMZOPIPTSA-N 2 1 338.536 3.968 20 0 EHADMP C[C@@H](CSCCF)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000595038259 1033657370 /nfs/dbraw/zinc/65/73/70/1033657370.db2.gz IBZDLHYEQMKJKC-WMZOPIPTSA-N 2 1 338.536 3.968 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000550608413 1033723997 /nfs/dbraw/zinc/72/39/97/1033723997.db2.gz GKNBXXLGDCXPFA-HXUWFJFHSA-N 2 1 328.500 3.721 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@H](C)C1 ZINC000093639312 1033802584 /nfs/dbraw/zinc/80/25/84/1033802584.db2.gz XOUOWPQFDQDZPP-KDOFPFPSSA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@H](C)C1 ZINC000093639312 1033802599 /nfs/dbraw/zinc/80/25/99/1033802599.db2.gz XOUOWPQFDQDZPP-KDOFPFPSSA-N 2 1 346.906 3.892 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658091638 1033920463 /nfs/dbraw/zinc/92/04/63/1033920463.db2.gz MULQZRFOKNWJAN-YUMYIRISSA-N 2 1 342.527 3.977 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658142865 1033987316 /nfs/dbraw/zinc/98/73/16/1033987316.db2.gz FDOSFVDXZOONIZ-FGZHOGPDSA-N 2 1 338.495 3.884 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000120627871 1034005064 /nfs/dbraw/zinc/00/50/64/1034005064.db2.gz UWONLHHUZYNXHY-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627871 1034005081 /nfs/dbraw/zinc/00/50/81/1034005081.db2.gz UWONLHHUZYNXHY-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627871 1034005098 /nfs/dbraw/zinc/00/50/98/1034005098.db2.gz UWONLHHUZYNXHY-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627871 1034005115 /nfs/dbraw/zinc/00/51/15/1034005115.db2.gz UWONLHHUZYNXHY-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627871 1034005133 /nfs/dbraw/zinc/00/51/33/1034005133.db2.gz UWONLHHUZYNXHY-FUHWJXTLSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000658223188 1034078937 /nfs/dbraw/zinc/07/89/37/1034078937.db2.gz ZIMSEVHYCRYNMG-LELZANKISA-N 2 1 328.500 3.729 20 0 EHADMP OC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000658282871 1034158006 /nfs/dbraw/zinc/15/80/06/1034158006.db2.gz QLVGXEBACBYHHB-VMAADFSISA-N 2 1 342.527 3.570 20 0 EHADMP OC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000658282874 1034158639 /nfs/dbraw/zinc/15/86/39/1034158639.db2.gz QLVGXEBACBYHHB-ZUPZCSSOSA-N 2 1 342.527 3.570 20 0 EHADMP CCc1cc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)on1 ZINC000450351340 1034180875 /nfs/dbraw/zinc/18/08/75/1034180875.db2.gz UTKOPPLJGWUARX-SFHVURJKSA-N 2 1 333.520 3.758 20 0 EHADMP CCc1cc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)on1 ZINC000450351340 1034180880 /nfs/dbraw/zinc/18/08/80/1034180880.db2.gz UTKOPPLJGWUARX-SFHVURJKSA-N 2 1 333.520 3.758 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620608 1034198572 /nfs/dbraw/zinc/19/85/72/1034198572.db2.gz TWTXTVYSTXYBHA-GOSISDBHSA-N 2 1 330.516 3.954 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620608 1034198586 /nfs/dbraw/zinc/19/85/86/1034198586.db2.gz TWTXTVYSTXYBHA-GOSISDBHSA-N 2 1 330.516 3.954 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620608 1034198589 /nfs/dbraw/zinc/19/85/89/1034198589.db2.gz TWTXTVYSTXYBHA-GOSISDBHSA-N 2 1 330.516 3.954 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620608 1034198594 /nfs/dbraw/zinc/19/85/94/1034198594.db2.gz TWTXTVYSTXYBHA-GOSISDBHSA-N 2 1 330.516 3.954 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620608 1034198597 /nfs/dbraw/zinc/19/85/97/1034198597.db2.gz TWTXTVYSTXYBHA-GOSISDBHSA-N 2 1 330.516 3.954 20 0 EHADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(C(F)(F)F)c1 ZINC000529565406 1034214250 /nfs/dbraw/zinc/21/42/50/1034214250.db2.gz JNDMSAXBMQKNLS-XYPWUTKMSA-N 2 1 342.405 3.771 20 0 EHADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(C(F)(F)F)c1 ZINC000529565406 1034214264 /nfs/dbraw/zinc/21/42/64/1034214264.db2.gz JNDMSAXBMQKNLS-XYPWUTKMSA-N 2 1 342.405 3.771 20 0 EHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C(F)(F)F)c1 ZINC000529565406 1034214278 /nfs/dbraw/zinc/21/42/78/1034214278.db2.gz JNDMSAXBMQKNLS-XYPWUTKMSA-N 2 1 342.405 3.771 20 0 EHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C(F)(F)F)c1 ZINC000529565406 1034214293 /nfs/dbraw/zinc/21/42/93/1034214293.db2.gz JNDMSAXBMQKNLS-XYPWUTKMSA-N 2 1 342.405 3.771 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccsc3Br)C2)CC1 ZINC000529567256 1034221033 /nfs/dbraw/zinc/22/10/33/1034221033.db2.gz KTBOPSLSRDXNDN-ZDUSSCGKSA-N 2 1 343.334 3.674 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686675 1034288898 /nfs/dbraw/zinc/28/88/98/1034288898.db2.gz VGQUUMIGCCBAAR-ZIBCJSCZSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686675 1034288911 /nfs/dbraw/zinc/28/89/11/1034288911.db2.gz VGQUUMIGCCBAAR-ZIBCJSCZSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686675 1034288923 /nfs/dbraw/zinc/28/89/23/1034288923.db2.gz VGQUUMIGCCBAAR-ZIBCJSCZSA-N 2 1 330.516 3.959 20 0 EHADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388573 1034359758 /nfs/dbraw/zinc/35/97/58/1034359758.db2.gz IXNOFDLITINQCP-XMSQKQJNSA-N 2 1 337.511 3.613 20 0 EHADMP O=C(CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601452 1034554054 /nfs/dbraw/zinc/55/40/54/1034554054.db2.gz PQNRDFXURDUFDI-QUCCMNQESA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601452 1034554064 /nfs/dbraw/zinc/55/40/64/1034554064.db2.gz PQNRDFXURDUFDI-QUCCMNQESA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccccc1 ZINC000450601452 1034554076 /nfs/dbraw/zinc/55/40/76/1034554076.db2.gz PQNRDFXURDUFDI-QUCCMNQESA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601452 1034554087 /nfs/dbraw/zinc/55/40/87/1034554087.db2.gz PQNRDFXURDUFDI-QUCCMNQESA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000450601452 1034554095 /nfs/dbraw/zinc/55/40/95/1034554095.db2.gz PQNRDFXURDUFDI-QUCCMNQESA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000450601452 1034554101 /nfs/dbraw/zinc/55/41/01/1034554101.db2.gz PQNRDFXURDUFDI-QUCCMNQESA-N 2 1 326.484 3.598 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000450601452 1034554110 /nfs/dbraw/zinc/55/41/10/1034554110.db2.gz PQNRDFXURDUFDI-QUCCMNQESA-N 2 1 326.484 3.598 20 0 EHADMP C[N@H+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000628280380 1035065739 /nfs/dbraw/zinc/06/57/39/1035065739.db2.gz GIXLJVLUSTZCTC-HNNXBMFYSA-N 2 1 337.389 3.639 20 0 EHADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000628280380 1035065747 /nfs/dbraw/zinc/06/57/47/1035065747.db2.gz GIXLJVLUSTZCTC-HNNXBMFYSA-N 2 1 337.389 3.639 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695297 1035117967 /nfs/dbraw/zinc/11/79/67/1035117967.db2.gz RHZJBUUPZMMPMT-MOPGFXCFSA-N 2 1 330.516 3.834 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390695297 1035117974 /nfs/dbraw/zinc/11/79/74/1035117974.db2.gz RHZJBUUPZMMPMT-MOPGFXCFSA-N 2 1 330.516 3.834 20 0 EHADMP Cn1cc[nH+]c1C[C@H]1CCCN(Cc2ccnc(Cl)c2Cl)C1 ZINC000376034118 1035155127 /nfs/dbraw/zinc/15/51/27/1035155127.db2.gz XTSCHNNNKXVFQG-GFCCVEGCSA-N 2 1 339.270 3.577 20 0 EHADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498180 1035354045 /nfs/dbraw/zinc/35/40/45/1035354045.db2.gz CEBTVHNUMSTRST-QZTJIDSGSA-N 2 1 334.504 3.679 20 0 EHADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498180 1035354051 /nfs/dbraw/zinc/35/40/51/1035354051.db2.gz CEBTVHNUMSTRST-QZTJIDSGSA-N 2 1 334.504 3.679 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000429785725 1035523847 /nfs/dbraw/zinc/52/38/47/1035523847.db2.gz RYIVWSIFFGGCMV-LAUBAEHRSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000429785725 1035523864 /nfs/dbraw/zinc/52/38/64/1035523864.db2.gz RYIVWSIFFGGCMV-LAUBAEHRSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000429785725 1035523877 /nfs/dbraw/zinc/52/38/77/1035523877.db2.gz RYIVWSIFFGGCMV-LAUBAEHRSA-N 2 1 326.484 3.881 20 0 EHADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC000629585368 1035528732 /nfs/dbraw/zinc/52/87/32/1035528732.db2.gz TTZARFCNTFZDGL-CALCHBBNSA-N 2 1 326.406 3.569 20 0 EHADMP COC[C@@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1F ZINC000571668823 1035583468 /nfs/dbraw/zinc/58/34/68/1035583468.db2.gz XAHPPKSTAGNVMV-RHSMWYFYSA-N 2 1 342.886 3.877 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccsc2S1 ZINC000305119488 1035679758 /nfs/dbraw/zinc/67/97/58/1035679758.db2.gz JCLDDUGCWBXFBA-SQWLQELKSA-N 2 1 340.558 3.500 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000414177035 1035912154 /nfs/dbraw/zinc/91/21/54/1035912154.db2.gz IUKKOVDPEZGDCG-XJKSGUPXSA-N 2 1 341.421 3.799 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000414184857 1035947000 /nfs/dbraw/zinc/94/70/00/1035947000.db2.gz OMWAWCVTSRIVEO-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP CC[C@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000588708629 1035980950 /nfs/dbraw/zinc/98/09/50/1035980950.db2.gz LWUGTYQGGHRCOR-SVFBPWRDSA-N 2 1 329.532 3.628 20 0 EHADMP C(=C\C[N@H+]1CCc2ccsc2C1)\C[NH+]1CCc2ccsc2C1 ZINC000341006740 1036095045 /nfs/dbraw/zinc/09/50/45/1036095045.db2.gz IGKUOPVFBKVACX-UPHRSURJSA-N 2 1 330.522 3.782 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191340958 1036368663 /nfs/dbraw/zinc/36/86/63/1036368663.db2.gz GATRJYHEESNOQH-UHFFFAOYSA-N 2 1 339.483 3.664 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000156998087 1036411260 /nfs/dbraw/zinc/41/12/60/1036411260.db2.gz MWCSVXAFVHFKSU-BWAGFHJFSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000156998087 1036411270 /nfs/dbraw/zinc/41/12/70/1036411270.db2.gz MWCSVXAFVHFKSU-BWAGFHJFSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156998087 1036411284 /nfs/dbraw/zinc/41/12/84/1036411284.db2.gz MWCSVXAFVHFKSU-BWAGFHJFSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156998087 1036411290 /nfs/dbraw/zinc/41/12/90/1036411290.db2.gz MWCSVXAFVHFKSU-BWAGFHJFSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000398006617 1036483558 /nfs/dbraw/zinc/48/35/58/1036483558.db2.gz BEWRDIWEPSZMKH-KNQAVFIVSA-N 2 1 338.495 3.956 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000398006617 1036483569 /nfs/dbraw/zinc/48/35/69/1036483569.db2.gz BEWRDIWEPSZMKH-KNQAVFIVSA-N 2 1 338.495 3.956 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398136613 1036537974 /nfs/dbraw/zinc/53/79/74/1036537974.db2.gz LFEKZIZTPMLONW-IERDGZPVSA-N 2 1 342.458 3.835 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398136613 1036537986 /nfs/dbraw/zinc/53/79/86/1036537986.db2.gz LFEKZIZTPMLONW-IERDGZPVSA-N 2 1 342.458 3.835 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000589705767 1036597381 /nfs/dbraw/zinc/59/73/81/1036597381.db2.gz AFWWKRIDXZGHCZ-UHFFFAOYSA-N 2 1 345.531 3.795 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000347431957 1036625206 /nfs/dbraw/zinc/62/52/06/1036625206.db2.gz FASGGZCWXJCEIB-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000347431957 1036625217 /nfs/dbraw/zinc/62/52/17/1036625217.db2.gz FASGGZCWXJCEIB-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000347431957 1036625231 /nfs/dbraw/zinc/62/52/31/1036625231.db2.gz FASGGZCWXJCEIB-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000542465014 1036740783 /nfs/dbraw/zinc/74/07/83/1036740783.db2.gz PIZCVOQNUARRIM-TZIWHRDSSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465014 1036740801 /nfs/dbraw/zinc/74/08/01/1036740801.db2.gz PIZCVOQNUARRIM-TZIWHRDSSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542465014 1036740819 /nfs/dbraw/zinc/74/08/19/1036740819.db2.gz PIZCVOQNUARRIM-TZIWHRDSSA-N 3 1 349.607 3.941 20 0 EHADMP CC1([NH3+])CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000647530795 1036907288 /nfs/dbraw/zinc/90/72/88/1036907288.db2.gz GJMNQODQFUSKHO-UHFFFAOYSA-N 2 1 338.499 3.538 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000311792500 1037040567 /nfs/dbraw/zinc/04/05/67/1037040567.db2.gz YNOOAMQAJMZFBJ-GVXVVHGQSA-N 2 1 341.318 3.714 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000311792500 1037040584 /nfs/dbraw/zinc/04/05/84/1037040584.db2.gz YNOOAMQAJMZFBJ-GVXVVHGQSA-N 2 1 341.318 3.714 20 0 EHADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000414370495 1037053889 /nfs/dbraw/zinc/05/38/89/1037053889.db2.gz WLDILIMVQRXTLX-FGZHOGPDSA-N 2 1 341.543 3.819 20 0 EHADMP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328384 1037469931 /nfs/dbraw/zinc/46/99/31/1037469931.db2.gz KNWQDQRNHBQNCF-JKSUJKDBSA-N 2 1 345.874 3.817 20 0 EHADMP CC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000532496981 1037542958 /nfs/dbraw/zinc/54/29/58/1037542958.db2.gz LVPKMDNVJSQSKU-RTBURBONSA-N 2 1 343.540 3.778 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178981395 1037640677 /nfs/dbraw/zinc/64/06/77/1037640677.db2.gz JYDJPRIJVZXIIT-SFHVURJKSA-N 2 1 340.515 3.796 20 0 EHADMP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000415935722 1037677319 /nfs/dbraw/zinc/67/73/19/1037677319.db2.gz RYQFYSMJYMEBLD-KRWDZBQOSA-N 2 1 346.519 3.572 20 0 EHADMP CC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC1 ZINC001168216998 1037720821 /nfs/dbraw/zinc/72/08/21/1037720821.db2.gz HUQOFRHTJLZPJU-UHFFFAOYSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463113387 1037767459 /nfs/dbraw/zinc/76/74/59/1037767459.db2.gz CEDSUXXZDWOKIX-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463113387 1037767476 /nfs/dbraw/zinc/76/74/76/1037767476.db2.gz CEDSUXXZDWOKIX-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP CCc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000540299974 1037779265 /nfs/dbraw/zinc/77/92/65/1037779265.db2.gz FPHJZHHHSUSJLC-SFTDATJTSA-N 2 1 332.532 3.773 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463149289 1037819810 /nfs/dbraw/zinc/81/98/10/1037819810.db2.gz YKHLSZUVOMVMPR-WIYYLYMNSA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463149289 1037819833 /nfs/dbraw/zinc/81/98/33/1037819833.db2.gz YKHLSZUVOMVMPR-WIYYLYMNSA-N 2 1 338.495 3.880 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397177 1037910365 /nfs/dbraw/zinc/91/03/65/1037910365.db2.gz IZJDYMBNHSJCSI-SXLOBPIMSA-N 2 1 340.515 3.762 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397174 1037910687 /nfs/dbraw/zinc/91/06/87/1037910687.db2.gz IZJDYMBNHSJCSI-RLLQIKCJSA-N 2 1 340.515 3.762 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463238366 1037922096 /nfs/dbraw/zinc/92/20/96/1037922096.db2.gz UZVDHHGBJSGNNC-YZGWKJHDSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463238366 1037922109 /nfs/dbraw/zinc/92/21/09/1037922109.db2.gz UZVDHHGBJSGNNC-YZGWKJHDSA-N 2 1 332.532 3.816 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000183045620 1037925795 /nfs/dbraw/zinc/92/57/95/1037925795.db2.gz YURYWVGPGJVSHX-KRWDZBQOSA-N 2 1 336.479 3.936 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000183045620 1037925806 /nfs/dbraw/zinc/92/58/06/1037925806.db2.gz YURYWVGPGJVSHX-KRWDZBQOSA-N 2 1 336.479 3.936 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000378128519 1037956551 /nfs/dbraw/zinc/95/65/51/1037956551.db2.gz UKTUITIOGPQNNJ-QGZVFWFLSA-N 2 1 326.488 3.617 20 0 EHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2cnc(F)c(C)c2)c(C)c1 ZINC000893181163 1038279605 /nfs/dbraw/zinc/27/96/05/1038279605.db2.gz CGMHVLYJTZYFGR-IBGZPJMESA-N 2 1 338.430 3.874 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2cnc(F)c(C)c2)c(C)c1 ZINC000893181173 1038279955 /nfs/dbraw/zinc/27/99/55/1038279955.db2.gz CGMHVLYJTZYFGR-LJQANCHMSA-N 2 1 338.430 3.874 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000367613225 1038282462 /nfs/dbraw/zinc/28/24/62/1038282462.db2.gz BXJLDCSNJXKVAR-OKZBNKHCSA-N 2 1 327.497 3.773 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000367613225 1038282467 /nfs/dbraw/zinc/28/24/67/1038282467.db2.gz BXJLDCSNJXKVAR-OKZBNKHCSA-N 2 1 327.497 3.773 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000125201852 1038293277 /nfs/dbraw/zinc/29/32/77/1038293277.db2.gz DYVIRJNYZLTTAW-OXQOHEQNSA-N 2 1 338.499 3.613 20 0 EHADMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000125454667 1038330725 /nfs/dbraw/zinc/33/07/25/1038330725.db2.gz SSRASVGOFZJHCW-LJQANCHMSA-N 2 1 343.471 3.826 20 0 EHADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)c1 ZINC000125454667 1038330742 /nfs/dbraw/zinc/33/07/42/1038330742.db2.gz SSRASVGOFZJHCW-LJQANCHMSA-N 2 1 343.471 3.826 20 0 EHADMP CC[N@@H+](CCC1CCN(Cc2nc(CC(C)C)no2)CC1)CC1CC1 ZINC000538948234 1038610222 /nfs/dbraw/zinc/61/02/22/1038610222.db2.gz GOMJVYVSFQJGPG-UHFFFAOYSA-N 2 1 348.535 3.602 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nc(CC(C)C)no2)CC1)CC1CC1 ZINC000538948234 1038610228 /nfs/dbraw/zinc/61/02/28/1038610228.db2.gz GOMJVYVSFQJGPG-UHFFFAOYSA-N 2 1 348.535 3.602 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(CC(C)C)no2)CC1)CC1CC1 ZINC000538948234 1038610232 /nfs/dbraw/zinc/61/02/32/1038610232.db2.gz GOMJVYVSFQJGPG-UHFFFAOYSA-N 2 1 348.535 3.602 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000538985052 1038629612 /nfs/dbraw/zinc/62/96/12/1038629612.db2.gz RVDCHWCUIDZUAQ-FQEVSTJZSA-N 2 1 349.588 3.843 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CO1 ZINC000660012347 1038707491 /nfs/dbraw/zinc/70/74/91/1038707491.db2.gz SVKGIYAMWYMZOC-HSALFYBXSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000660012347 1038707499 /nfs/dbraw/zinc/70/74/99/1038707499.db2.gz SVKGIYAMWYMZOC-HSALFYBXSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000660012347 1038707506 /nfs/dbraw/zinc/70/75/06/1038707506.db2.gz SVKGIYAMWYMZOC-HSALFYBXSA-N 2 1 328.500 3.540 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC000278826206 1038790729 /nfs/dbraw/zinc/79/07/29/1038790729.db2.gz QAJJOOTXBOGLQQ-UHFFFAOYSA-N 2 1 337.471 3.543 20 0 EHADMP OC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000552063658 1038929733 /nfs/dbraw/zinc/92/97/33/1038929733.db2.gz HPJGIGLXXVOUOD-NJDAHSKKSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000363922791 1038953101 /nfs/dbraw/zinc/95/31/01/1038953101.db2.gz FTVCUTWXLWKDCI-ZSYWTGECSA-N 2 1 344.547 3.689 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000570106832 1039030613 /nfs/dbraw/zinc/03/06/13/1039030613.db2.gz HRZMNGHGMMEKRO-UHFFFAOYSA-N 2 1 335.245 3.547 20 0 EHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000477942146 1039063988 /nfs/dbraw/zinc/06/39/88/1039063988.db2.gz SSUFZSCUFRGYPG-ICSRJNTNSA-N 3 1 335.580 3.741 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000477942149 1039064141 /nfs/dbraw/zinc/06/41/41/1039064141.db2.gz SSUFZSCUFRGYPG-UYAOXDASSA-N 3 1 335.580 3.741 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000488420104 1039157030 /nfs/dbraw/zinc/15/70/30/1039157030.db2.gz ICGZYVQTMQKMAK-WOJBJXKFSA-N 2 1 332.557 3.813 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898523044 1039198386 /nfs/dbraw/zinc/19/83/86/1039198386.db2.gz XOVOUSIVULTYDZ-BJOMATTFSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219898 1039317396 /nfs/dbraw/zinc/31/73/96/1039317396.db2.gz DJXUUBLBUYZWAO-DENIHFKCSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219898 1039317416 /nfs/dbraw/zinc/31/74/16/1039317416.db2.gz DJXUUBLBUYZWAO-DENIHFKCSA-N 2 1 337.511 3.623 20 0 EHADMP CCCC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480233964 1039334582 /nfs/dbraw/zinc/33/45/82/1039334582.db2.gz VSUFZMGEXLIBHT-LVCYWYKZSA-N 2 1 348.531 3.591 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237351746 1039348590 /nfs/dbraw/zinc/34/85/90/1039348590.db2.gz UQWKKFYBXDURTP-MRXNPFEDSA-N 2 1 337.467 3.772 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CO1 ZINC000660151144 1039391161 /nfs/dbraw/zinc/39/11/61/1039391161.db2.gz XSSCUPLZPUBCER-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000552779011 1039523158 /nfs/dbraw/zinc/52/31/58/1039523158.db2.gz BXESHVHGLOVKHX-YJBOKZPZSA-N 2 1 347.503 3.527 20 0 EHADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000709891920 1039646449 /nfs/dbraw/zinc/64/64/49/1039646449.db2.gz LKNNHSWQSZXOKG-QFIPXVFZSA-N 2 1 336.479 3.841 20 0 EHADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000709891920 1039646455 /nfs/dbraw/zinc/64/64/55/1039646455.db2.gz LKNNHSWQSZXOKG-QFIPXVFZSA-N 2 1 336.479 3.841 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000480601188 1039733338 /nfs/dbraw/zinc/73/33/38/1039733338.db2.gz MBOHLNFSEZIBBK-UIFIKXQLSA-N 2 1 330.516 3.823 20 0 EHADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490043385 1040318774 /nfs/dbraw/zinc/31/87/74/1040318774.db2.gz QBHCBEMZVWXOJM-KRWDZBQOSA-N 2 1 342.487 3.629 20 0 EHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490043385 1040318779 /nfs/dbraw/zinc/31/87/79/1040318779.db2.gz QBHCBEMZVWXOJM-KRWDZBQOSA-N 2 1 342.487 3.629 20 0 EHADMP C[N@H+]1CC[C@H]2CCN(c3ccnc4cc(Br)ccc43)[C@H]2C1 ZINC000486707659 1040368195 /nfs/dbraw/zinc/36/81/95/1040368195.db2.gz JOAWAYACUDIGAQ-SJCJKPOMSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@H]2C1 ZINC000486707659 1040368214 /nfs/dbraw/zinc/36/82/14/1040368214.db2.gz JOAWAYACUDIGAQ-SJCJKPOMSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@H]2C1 ZINC000486707659 1040368236 /nfs/dbraw/zinc/36/82/36/1040368236.db2.gz JOAWAYACUDIGAQ-SJCJKPOMSA-N 2 1 346.272 3.528 20 0 EHADMP CC[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000512663213 1040426365 /nfs/dbraw/zinc/42/63/65/1040426365.db2.gz IFDZNJSXQLJNLW-HBMCJLEFSA-N 2 1 343.559 3.671 20 0 EHADMP CC(C)CC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132869 1040870382 /nfs/dbraw/zinc/87/03/82/1040870382.db2.gz YCXBXEHVXBAXTR-OAQYLSRUSA-N 2 1 344.543 3.772 20 0 EHADMP Cc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1C(F)(F)F ZINC000668787149 1041006424 /nfs/dbraw/zinc/00/64/24/1041006424.db2.gz OIFAPGNCJCQBMH-INIZCTEOSA-N 2 1 344.421 3.556 20 0 EHADMP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1C(F)(F)F ZINC000668787149 1041006438 /nfs/dbraw/zinc/00/64/38/1041006438.db2.gz OIFAPGNCJCQBMH-INIZCTEOSA-N 2 1 344.421 3.556 20 0 EHADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565079 1041008858 /nfs/dbraw/zinc/00/88/58/1041008858.db2.gz VCIDXGPQBXEFMG-GDBMZVCRSA-N 2 1 328.422 3.943 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565079 1041008872 /nfs/dbraw/zinc/00/88/72/1041008872.db2.gz VCIDXGPQBXEFMG-GDBMZVCRSA-N 2 1 328.422 3.943 20 0 EHADMP C[C@@H]1[C@H](Nc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC[N@H+]1C ZINC000899874392 1041258631 /nfs/dbraw/zinc/25/86/31/1041258631.db2.gz BAUVDGQSVAFYBU-ZWNOBZJWSA-N 2 1 325.334 3.638 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000292980222 1041603231 /nfs/dbraw/zinc/60/32/31/1041603231.db2.gz QXGLLFIEKNWRBW-AWEZNQCLSA-N 2 1 347.459 3.607 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000292980222 1041603239 /nfs/dbraw/zinc/60/32/39/1041603239.db2.gz QXGLLFIEKNWRBW-AWEZNQCLSA-N 2 1 347.459 3.607 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000511872898 1041797990 /nfs/dbraw/zinc/79/79/90/1041797990.db2.gz NAHRUIISTMRNOA-GCJKJVERSA-N 2 1 341.543 3.982 20 0 EHADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000893411550 1041901950 /nfs/dbraw/zinc/90/19/50/1041901950.db2.gz HESMVURWGZDKKB-VQIMIIECSA-N 2 1 327.447 3.529 20 0 EHADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000651865253 1042125177 /nfs/dbraw/zinc/12/51/77/1042125177.db2.gz RTSUPJOCOXOFFO-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000651865253 1042125181 /nfs/dbraw/zinc/12/51/81/1042125181.db2.gz RTSUPJOCOXOFFO-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000651865253 1042125182 /nfs/dbraw/zinc/12/51/82/1042125182.db2.gz RTSUPJOCOXOFFO-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000651865253 1042125188 /nfs/dbraw/zinc/12/51/88/1042125188.db2.gz RTSUPJOCOXOFFO-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000651865253 1042125192 /nfs/dbraw/zinc/12/51/92/1042125192.db2.gz RTSUPJOCOXOFFO-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP COc1ccc([C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000925734261 1042414899 /nfs/dbraw/zinc/41/48/99/1042414899.db2.gz PMGGYMCASSUWCZ-RDJZCZTQSA-N 2 1 326.431 3.759 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999338 1042453995 /nfs/dbraw/zinc/45/39/95/1042453995.db2.gz UHHUTDGYLGLYCN-RLHVNXBHSA-N 2 1 348.506 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999338 1042453998 /nfs/dbraw/zinc/45/39/98/1042453998.db2.gz UHHUTDGYLGLYCN-RLHVNXBHSA-N 2 1 348.506 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999340 1042454256 /nfs/dbraw/zinc/45/42/56/1042454256.db2.gz UHHUTDGYLGLYCN-WYNBGMTASA-N 2 1 348.506 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999340 1042454258 /nfs/dbraw/zinc/45/42/58/1042454258.db2.gz UHHUTDGYLGLYCN-WYNBGMTASA-N 2 1 348.506 3.784 20 0 EHADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000245639882 1042501847 /nfs/dbraw/zinc/50/18/47/1042501847.db2.gz DCCTYVORQKUWRK-MMOPVJDHSA-N 2 1 328.500 3.747 20 0 EHADMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000248727922 1042530772 /nfs/dbraw/zinc/53/07/72/1042530772.db2.gz INFXXRNFCPHNDH-SJORKVTESA-N 2 1 346.519 3.528 20 0 EHADMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000248727922 1042530776 /nfs/dbraw/zinc/53/07/76/1042530776.db2.gz INFXXRNFCPHNDH-SJORKVTESA-N 2 1 346.519 3.528 20 0 EHADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000249038753 1042532068 /nfs/dbraw/zinc/53/20/68/1042532068.db2.gz UBWYLSUCOSOPPM-YUMYIRISSA-N 2 1 342.527 3.713 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741631 1042602712 /nfs/dbraw/zinc/60/27/12/1042602712.db2.gz MVJGSWJTSVYYKY-MAZHCROVSA-N 2 1 325.294 3.973 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741631 1042602709 /nfs/dbraw/zinc/60/27/09/1042602709.db2.gz MVJGSWJTSVYYKY-MAZHCROVSA-N 2 1 325.294 3.973 20 0 EHADMP Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000662258358 1042641593 /nfs/dbraw/zinc/64/15/93/1042641593.db2.gz ZRENQLKFBYZBBU-HTAPYJJXSA-N 2 1 336.479 3.603 20 0 EHADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662273257 1042650168 /nfs/dbraw/zinc/65/01/68/1042650168.db2.gz KWUSOZCLPXNUBI-KGLIPLIRSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000662273255 1042650404 /nfs/dbraw/zinc/65/04/04/1042650404.db2.gz KWUSOZCLPXNUBI-KBPBESRZSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662295583 1042664047 /nfs/dbraw/zinc/66/40/47/1042664047.db2.gz HCAVHUVPJJKJON-KRWDZBQOSA-N 2 1 343.446 3.692 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)[C@@H]1CCC[NH3+] ZINC000662313806 1042682002 /nfs/dbraw/zinc/68/20/02/1042682002.db2.gz MUYRYDGXQGUHPY-RHSMWYFYSA-N 2 1 330.501 3.545 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323917 1042684422 /nfs/dbraw/zinc/68/44/22/1042684422.db2.gz UKADDWPYZBHKTB-LAUBAEHRSA-N 2 1 326.484 3.943 20 0 EHADMP CC(C)c1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000663326593 1042696495 /nfs/dbraw/zinc/69/64/95/1042696495.db2.gz CGTGOHDCGHXTAP-QFIPXVFZSA-N 2 1 338.495 3.666 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Br ZINC000221908411 1042701923 /nfs/dbraw/zinc/70/19/23/1042701923.db2.gz BQJFTJHLFQSFPK-CYBMUJFWSA-N 2 1 343.309 3.839 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Br ZINC000221908411 1042701926 /nfs/dbraw/zinc/70/19/26/1042701926.db2.gz BQJFTJHLFQSFPK-CYBMUJFWSA-N 2 1 343.309 3.839 20 0 EHADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2ncccc12 ZINC000663346173 1042730986 /nfs/dbraw/zinc/73/09/86/1042730986.db2.gz PUOXQZIFNKWAKP-INIZCTEOSA-N 2 1 327.447 3.586 20 0 EHADMP FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347608 1042738095 /nfs/dbraw/zinc/73/80/95/1042738095.db2.gz PWUMVGKKARIXJI-OAHLLOKOSA-N 2 1 326.406 3.917 20 0 EHADMP c1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347624 1042738401 /nfs/dbraw/zinc/73/84/01/1042738401.db2.gz QMEFVKRYNZNZCB-LJQANCHMSA-N 2 1 328.500 3.687 20 0 EHADMP c1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347624 1042738405 /nfs/dbraw/zinc/73/84/05/1042738405.db2.gz QMEFVKRYNZNZCB-LJQANCHMSA-N 2 1 328.500 3.687 20 0 EHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466052 1042888322 /nfs/dbraw/zinc/88/83/22/1042888322.db2.gz NOHGUXRWWLMBLF-QAPCUYQASA-N 2 1 332.463 3.533 20 0 EHADMP CC1CCC(O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000663465508 1042888832 /nfs/dbraw/zinc/88/88/32/1042888832.db2.gz UNVSNKBYGGNCSN-CITFFXKNSA-N 2 1 342.527 3.713 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000663467216 1042890764 /nfs/dbraw/zinc/89/07/64/1042890764.db2.gz DSJZFQSCDGFUOV-HKUYNNGSSA-N 2 1 346.515 3.867 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000663467218 1042890884 /nfs/dbraw/zinc/89/08/84/1042890884.db2.gz DSJZFQSCDGFUOV-IEBWSBKVSA-N 2 1 346.515 3.867 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466504 1042893173 /nfs/dbraw/zinc/89/31/73/1042893173.db2.gz USSYUVFKVALGHP-IIBYNOLFSA-N 2 1 346.490 3.997 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c(F)c1 ZINC000663466504 1042893176 /nfs/dbraw/zinc/89/31/76/1042893176.db2.gz USSYUVFKVALGHP-IIBYNOLFSA-N 2 1 346.490 3.997 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468750 1042894077 /nfs/dbraw/zinc/89/40/77/1042894077.db2.gz MLRJIXOWCCCWBC-KAGYGMCKSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000663468750 1042894082 /nfs/dbraw/zinc/89/40/82/1042894082.db2.gz MLRJIXOWCCCWBC-KAGYGMCKSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468750 1042894088 /nfs/dbraw/zinc/89/40/88/1042894088.db2.gz MLRJIXOWCCCWBC-KAGYGMCKSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000663467531 1042895198 /nfs/dbraw/zinc/89/51/98/1042895198.db2.gz GNOCBVZCKBJLMM-IEBWSBKVSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471815 1042902721 /nfs/dbraw/zinc/90/27/21/1042902721.db2.gz YMCMXKSBYNTTIP-SJLPKXTDSA-N 2 1 340.515 3.596 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H](C)C1 ZINC000663478058 1042907623 /nfs/dbraw/zinc/90/76/23/1042907623.db2.gz JZUQFEANWZXBAF-GJZGRUSLSA-N 2 1 338.458 3.692 20 0 EHADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925778577 1042909846 /nfs/dbraw/zinc/90/98/46/1042909846.db2.gz JVVSIKASLUFBMQ-GDBMZVCRSA-N 2 1 326.431 3.617 20 0 EHADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000925780776 1042930756 /nfs/dbraw/zinc/93/07/56/1042930756.db2.gz GPKKPOAPNSLKLP-GXFFZTMASA-N 2 1 332.847 3.711 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001167834580 1043023686 /nfs/dbraw/zinc/02/36/86/1043023686.db2.gz KVUVWVXWIFIHEW-HKUYNNGSSA-N 2 1 331.504 3.600 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001167838781 1043051963 /nfs/dbraw/zinc/05/19/63/1043051963.db2.gz WQJNHLVUHZGLAE-UXHICEINSA-N 2 1 331.548 3.876 20 0 EHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1Cl ZINC000343984007 1043056207 /nfs/dbraw/zinc/05/62/07/1043056207.db2.gz LTIMFRSYYRZVMU-AWEZNQCLSA-N 2 1 333.863 3.526 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C12CCC2 ZINC000344033743 1043134069 /nfs/dbraw/zinc/13/40/69/1043134069.db2.gz MFPBRMPVZOPBBP-WOJBJXKFSA-N 2 1 330.516 3.964 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419428 1043152901 /nfs/dbraw/zinc/15/29/01/1043152901.db2.gz BTGGWRAHQVKSAC-RBUKOAKNSA-N 2 1 332.532 3.833 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419428 1043152907 /nfs/dbraw/zinc/15/29/07/1043152907.db2.gz BTGGWRAHQVKSAC-RBUKOAKNSA-N 2 1 332.532 3.833 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424494 1043165540 /nfs/dbraw/zinc/16/55/40/1043165540.db2.gz JBHNJEDUFANWRF-UWJYYQICSA-N 2 1 346.490 3.852 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424494 1043165543 /nfs/dbraw/zinc/16/55/43/1043165543.db2.gz JBHNJEDUFANWRF-UWJYYQICSA-N 2 1 346.490 3.852 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424492 1043165751 /nfs/dbraw/zinc/16/57/51/1043165751.db2.gz JBHNJEDUFANWRF-LAUBAEHRSA-N 2 1 346.490 3.852 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424492 1043165754 /nfs/dbraw/zinc/16/57/54/1043165754.db2.gz JBHNJEDUFANWRF-LAUBAEHRSA-N 2 1 346.490 3.852 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423577 1043168773 /nfs/dbraw/zinc/16/87/73/1043168773.db2.gz KROOIZGYCKJHHS-FPOVZHCZSA-N 2 1 332.532 3.734 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423577 1043168779 /nfs/dbraw/zinc/16/87/79/1043168779.db2.gz KROOIZGYCKJHHS-FPOVZHCZSA-N 2 1 332.532 3.734 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000344058406 1043178772 /nfs/dbraw/zinc/17/87/72/1043178772.db2.gz NFAREVMIEPOFSM-OALUTQOASA-N 2 1 343.446 3.757 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279024663 1043214927 /nfs/dbraw/zinc/21/49/27/1043214927.db2.gz VGBZVEYDNNACFN-WBVHZDCISA-N 2 1 327.497 3.889 20 0 EHADMP COc1ccccc1[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000279047331 1043253977 /nfs/dbraw/zinc/25/39/77/1043253977.db2.gz XSDGPOJRRRKANV-HRAATJIYSA-N 2 1 339.483 3.975 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271606 1043564081 /nfs/dbraw/zinc/56/40/81/1043564081.db2.gz ABNVRLHFFQTCLS-ZVDOUQERSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000344271606 1043564085 /nfs/dbraw/zinc/56/40/85/1043564085.db2.gz ABNVRLHFFQTCLS-ZVDOUQERSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310513343 1043621013 /nfs/dbraw/zinc/62/10/13/1043621013.db2.gz KMERIUGAJZLVRI-WOJBJXKFSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430478 1044068903 /nfs/dbraw/zinc/06/89/03/1044068903.db2.gz GOIBPEDRJMFRFF-VKJFTORMSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430478 1044068911 /nfs/dbraw/zinc/06/89/11/1044068911.db2.gz GOIBPEDRJMFRFF-VKJFTORMSA-N 2 1 343.446 3.831 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@H](C)C1 ZINC000279524183 1044181442 /nfs/dbraw/zinc/18/14/42/1044181442.db2.gz OPOOYRKSWLKIMO-QAPCUYQASA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@H](C)C1 ZINC000279524183 1044181447 /nfs/dbraw/zinc/18/14/47/1044181447.db2.gz OPOOYRKSWLKIMO-QAPCUYQASA-N 2 1 343.446 3.833 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000112517430 1044610544 /nfs/dbraw/zinc/61/05/44/1044610544.db2.gz VUPFVBPKLFBQMF-HNNXBMFYSA-N 2 1 346.421 3.648 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000414179565 1125598760 /nfs/dbraw/zinc/59/87/60/1125598760.db2.gz KVXKKSVXFCUGAF-SFHLNBCPSA-N 2 1 336.479 3.588 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000414179565 1125598764 /nfs/dbraw/zinc/59/87/64/1125598764.db2.gz KVXKKSVXFCUGAF-SFHLNBCPSA-N 2 1 336.479 3.588 20 0 EHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000154392891 1125716522 /nfs/dbraw/zinc/71/65/22/1125716522.db2.gz FKHBTSLOMICYKA-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000155041205 1125778268 /nfs/dbraw/zinc/77/82/68/1125778268.db2.gz KLRULSUVLJSOIW-GCJKJVERSA-N 2 1 338.495 3.833 20 0 EHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622543637 1126718563 /nfs/dbraw/zinc/71/85/63/1126718563.db2.gz OKKLDDATBFZUGA-FQEVSTJZSA-N 2 1 343.515 3.526 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000185206367 1126823701 /nfs/dbraw/zinc/82/37/01/1126823701.db2.gz LYDSIKPNUOIUON-ZNMIVQPWSA-N 2 1 340.895 3.586 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339072700 1126839098 /nfs/dbraw/zinc/83/90/98/1126839098.db2.gz WWYNQDQFJDVJMO-POAQFYNOSA-N 2 1 327.472 3.585 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000623346867 1126924146 /nfs/dbraw/zinc/92/41/46/1126924146.db2.gz GAWJDMVGEVAZGS-KBXCAEBGSA-N 2 1 329.488 3.559 20 0 EHADMP CCCCOc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623357314 1126931491 /nfs/dbraw/zinc/93/14/91/1126931491.db2.gz IPQTZXQNMPIISR-KRWDZBQOSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623357314 1126931497 /nfs/dbraw/zinc/93/14/97/1126931497.db2.gz IPQTZXQNMPIISR-KRWDZBQOSA-N 2 1 334.504 3.837 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931900 /nfs/dbraw/zinc/93/19/00/1126931900.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931903 /nfs/dbraw/zinc/93/19/03/1126931903.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931905 /nfs/dbraw/zinc/93/19/05/1126931905.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931909 /nfs/dbraw/zinc/93/19/09/1126931909.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931912 /nfs/dbraw/zinc/93/19/12/1126931912.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931915 /nfs/dbraw/zinc/93/19/15/1126931915.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357226 1126931918 /nfs/dbraw/zinc/93/19/18/1126931918.db2.gz DOKRBECBGFCSFD-NQIIRXRSSA-N 2 1 343.559 3.881 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@H]1c1cccs1 ZINC000623429457 1126953568 /nfs/dbraw/zinc/95/35/68/1126953568.db2.gz DNUFLZFZLUOBLT-KXBFYZLASA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@H]1c1cccs1 ZINC000623429457 1126953570 /nfs/dbraw/zinc/95/35/70/1126953570.db2.gz DNUFLZFZLUOBLT-KXBFYZLASA-N 2 1 340.496 3.797 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623449292 1126958610 /nfs/dbraw/zinc/95/86/10/1126958610.db2.gz PSMXLMXRFGKDBB-JYRKZWEQSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623449292 1126958613 /nfs/dbraw/zinc/95/86/13/1126958613.db2.gz PSMXLMXRFGKDBB-JYRKZWEQSA-N 2 1 343.559 3.605 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623449292 1126958615 /nfs/dbraw/zinc/95/86/15/1126958615.db2.gz PSMXLMXRFGKDBB-JYRKZWEQSA-N 2 1 343.559 3.605 20 0 EHADMP C[N@H+]1CC[C@H](N[C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537877 1126979653 /nfs/dbraw/zinc/97/96/53/1126979653.db2.gz MBIZJVBFCCKMHE-HOTGVXAUSA-N 2 1 344.421 3.591 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537877 1126979655 /nfs/dbraw/zinc/97/96/55/1126979655.db2.gz MBIZJVBFCCKMHE-HOTGVXAUSA-N 2 1 344.421 3.591 20 0 EHADMP C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724805 1126994328 /nfs/dbraw/zinc/99/43/28/1126994328.db2.gz STQZZMKSLNHBFG-PKOBYXMFSA-N 2 1 341.499 3.570 20 0 EHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCCO1 ZINC000623906536 1127212545 /nfs/dbraw/zinc/21/25/45/1127212545.db2.gz ZAWXQLAQVXFHPW-WRJHFWDFSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624029885 1127237251 /nfs/dbraw/zinc/23/72/51/1127237251.db2.gz BKYPXGLFNMXPJO-NRFANRHFSA-N 2 1 330.516 3.618 20 0 EHADMP C[N@H+]1CCCC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122226 1127256931 /nfs/dbraw/zinc/25/69/31/1127256931.db2.gz MPBRBTIXAGPCLG-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122226 1127256934 /nfs/dbraw/zinc/25/69/34/1127256934.db2.gz MPBRBTIXAGPCLG-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122226 1127256936 /nfs/dbraw/zinc/25/69/36/1127256936.db2.gz MPBRBTIXAGPCLG-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122226 1127256939 /nfs/dbraw/zinc/25/69/39/1127256939.db2.gz MPBRBTIXAGPCLG-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122226 1127256943 /nfs/dbraw/zinc/25/69/43/1127256943.db2.gz MPBRBTIXAGPCLG-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122226 1127256947 /nfs/dbraw/zinc/25/69/47/1127256947.db2.gz MPBRBTIXAGPCLG-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122226 1127256949 /nfs/dbraw/zinc/25/69/49/1127256949.db2.gz MPBRBTIXAGPCLG-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1Br ZINC000624119781 1127255864 /nfs/dbraw/zinc/25/58/64/1127255864.db2.gz JNGUMACGDHFMRC-ZIAGYGMSSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1Br ZINC000624119781 1127255866 /nfs/dbraw/zinc/25/58/66/1127255866.db2.gz JNGUMACGDHFMRC-ZIAGYGMSSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000182430342 1127329239 /nfs/dbraw/zinc/32/92/39/1127329239.db2.gz MQARVOKPGYFUOS-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000182430342 1127329242 /nfs/dbraw/zinc/32/92/42/1127329242.db2.gz MQARVOKPGYFUOS-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370671899 1127428691 /nfs/dbraw/zinc/42/86/91/1127428691.db2.gz ZPWPZALEODUELR-PVAVHDDUSA-N 2 1 338.442 3.826 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000382459099 1127510870 /nfs/dbraw/zinc/51/08/70/1127510870.db2.gz WWLJYNABFCFNMR-ZDUSSCGKSA-N 2 1 343.334 3.964 20 0 EHADMP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383716633 1127553982 /nfs/dbraw/zinc/55/39/82/1127553982.db2.gz UTPCBNGBJHICDV-AZUAARDMSA-N 2 1 330.516 3.572 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000765239718 1127587599 /nfs/dbraw/zinc/58/75/99/1127587599.db2.gz SIWZEOFVEGCBSL-QZTJIDSGSA-N 2 1 340.515 3.953 20 0 EHADMP COc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000386072652 1127625217 /nfs/dbraw/zinc/62/52/17/1127625217.db2.gz GHHVIEOJSOUIBM-PZJWPPBQSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386072652 1127625218 /nfs/dbraw/zinc/62/52/18/1127625218.db2.gz GHHVIEOJSOUIBM-PZJWPPBQSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386072652 1127625220 /nfs/dbraw/zinc/62/52/20/1127625220.db2.gz GHHVIEOJSOUIBM-PZJWPPBQSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](C2CCCC2)CC1 ZINC000765508191 1127627638 /nfs/dbraw/zinc/62/76/38/1127627638.db2.gz WUQBLIIKDBOPCU-UHFFFAOYSA-N 2 1 325.456 3.698 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000386338042 1127664206 /nfs/dbraw/zinc/66/42/06/1127664206.db2.gz NFUCJVPDVCNIOL-NRSPTQNISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386338042 1127664208 /nfs/dbraw/zinc/66/42/08/1127664208.db2.gz NFUCJVPDVCNIOL-NRSPTQNISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386338042 1127664211 /nfs/dbraw/zinc/66/42/11/1127664211.db2.gz NFUCJVPDVCNIOL-NRSPTQNISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386338042 1127664212 /nfs/dbraw/zinc/66/42/12/1127664212.db2.gz NFUCJVPDVCNIOL-NRSPTQNISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386338042 1127664214 /nfs/dbraw/zinc/66/42/14/1127664214.db2.gz NFUCJVPDVCNIOL-NRSPTQNISA-N 2 1 341.543 3.504 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4Cc5ccccc54)C[C@H]3C2)cc1 ZINC000386341535 1127665518 /nfs/dbraw/zinc/66/55/18/1127665518.db2.gz LSCYRADUGUXTOG-BHIFYINESA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc54)C[C@H]3C2)cc1 ZINC000386341535 1127665519 /nfs/dbraw/zinc/66/55/19/1127665519.db2.gz LSCYRADUGUXTOG-BHIFYINESA-N 2 1 332.491 3.780 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc54)C[C@H]3C2)cc1 ZINC000386341535 1127665521 /nfs/dbraw/zinc/66/55/21/1127665521.db2.gz LSCYRADUGUXTOG-BHIFYINESA-N 2 1 332.491 3.780 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)C2)c1 ZINC000921630613 1127900904 /nfs/dbraw/zinc/90/09/04/1127900904.db2.gz SUEIQQARDHVICU-YDZRNGNQSA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)C2)c1 ZINC000921630613 1127900906 /nfs/dbraw/zinc/90/09/06/1127900906.db2.gz SUEIQQARDHVICU-YDZRNGNQSA-N 2 1 348.556 3.755 20 0 EHADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000166307949 1128237306 /nfs/dbraw/zinc/23/73/06/1128237306.db2.gz OVAXKHMCTRFTOA-DLBZAZTESA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Oc1cccnc1 ZINC000166307949 1128237309 /nfs/dbraw/zinc/23/73/09/1128237309.db2.gz OVAXKHMCTRFTOA-DLBZAZTESA-N 2 1 341.430 3.729 20 0 EHADMP CCCCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000067507236 1128242698 /nfs/dbraw/zinc/24/26/98/1128242698.db2.gz XVHHKSJTJQIBCS-GOSISDBHSA-N 2 1 334.504 3.694 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(Cl)c1OC ZINC000623654655 1128448260 /nfs/dbraw/zinc/44/82/60/1128448260.db2.gz FMWUGHNAIRKLQT-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000623654655 1128448263 /nfs/dbraw/zinc/44/82/63/1128448263.db2.gz FMWUGHNAIRKLQT-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000166398947 1128456050 /nfs/dbraw/zinc/45/60/50/1128456050.db2.gz AGMGJSRWNCEAKF-FGZHOGPDSA-N 3 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000166398947 1128456051 /nfs/dbraw/zinc/45/60/51/1128456051.db2.gz AGMGJSRWNCEAKF-FGZHOGPDSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000166398947 1128456054 /nfs/dbraw/zinc/45/60/54/1128456054.db2.gz AGMGJSRWNCEAKF-FGZHOGPDSA-N 2 1 341.543 3.779 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@H](CCC[NH3+])C3)CCO2)cc1 ZINC001168628809 1128485799 /nfs/dbraw/zinc/48/57/99/1128485799.db2.gz GHSBPOPEALPCMQ-LMNJBCLMSA-N 2 1 346.515 3.756 20 0 EHADMP Cc1cccc(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000303790762 1128696776 /nfs/dbraw/zinc/69/67/76/1128696776.db2.gz UWXNXSFLOWBDBA-KDURUIRLSA-N 2 1 330.516 3.625 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cccc2[nH]c(=O)oc21)[N@H+](C)Cc1ccccc1 ZINC000921811409 1128781967 /nfs/dbraw/zinc/78/19/67/1128781967.db2.gz NHJPHRCTVHYJFN-HNNXBMFYSA-N 2 1 339.439 3.534 20 0 EHADMP C[C@@H](CC[NH2+]Cc1cccc2[nH]c(=O)oc21)[N@@H+](C)Cc1ccccc1 ZINC000921811409 1128781971 /nfs/dbraw/zinc/78/19/71/1128781971.db2.gz NHJPHRCTVHYJFN-HNNXBMFYSA-N 2 1 339.439 3.534 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC000656198479 1128808443 /nfs/dbraw/zinc/80/84/43/1128808443.db2.gz XDGMYROTJIRFGA-KGLIPLIRSA-N 2 1 327.453 3.916 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000083472144 1120135449 /nfs/dbraw/zinc/13/54/49/1120135449.db2.gz HVJWFPKJBMHBIP-WMLDXEAASA-N 2 1 335.904 3.969 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000083472144 1120135450 /nfs/dbraw/zinc/13/54/50/1120135450.db2.gz HVJWFPKJBMHBIP-WMLDXEAASA-N 2 1 335.904 3.969 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095033 1120249389 /nfs/dbraw/zinc/24/93/89/1120249389.db2.gz OGFKPPVTARUQLR-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095033 1120249391 /nfs/dbraw/zinc/24/93/91/1120249391.db2.gz OGFKPPVTARUQLR-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095033 1120249396 /nfs/dbraw/zinc/24/93/96/1120249396.db2.gz OGFKPPVTARUQLR-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095033 1120249402 /nfs/dbraw/zinc/24/94/02/1120249402.db2.gz OGFKPPVTARUQLR-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP COC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCC1 ZINC000186508721 1120464529 /nfs/dbraw/zinc/46/45/29/1120464529.db2.gz IQCWNNUPEQXGFQ-UHFFFAOYSA-N 2 1 330.516 3.632 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cncc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000494623570 1120703955 /nfs/dbraw/zinc/70/39/55/1120703955.db2.gz XOAQGWVIJSCXIF-FUHWJXTLSA-N 2 1 327.447 3.611 20 0 EHADMP CCc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC001203226540 1121231768 /nfs/dbraw/zinc/23/17/68/1121231768.db2.gz ODHQAPNYJOMZKO-UHFFFAOYSA-N 2 1 327.472 3.581 20 0 EHADMP C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000282111059 1121348660 /nfs/dbraw/zinc/34/86/60/1121348660.db2.gz AFICCHYAHIJWMK-BBWFWOEESA-N 2 1 337.511 3.878 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976395 1128988944 /nfs/dbraw/zinc/98/89/44/1128988944.db2.gz DXJJDOJTRDGEKJ-MJGOQNOKSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976395 1128988947 /nfs/dbraw/zinc/98/89/47/1128988947.db2.gz DXJJDOJTRDGEKJ-MJGOQNOKSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706362 1128995820 /nfs/dbraw/zinc/99/58/20/1128995820.db2.gz XBIRYVOPDZDCQB-ISTRZQFTSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706362 1128995823 /nfs/dbraw/zinc/99/58/23/1128995823.db2.gz XBIRYVOPDZDCQB-ISTRZQFTSA-N 2 1 337.305 3.899 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398037479 1121963291 /nfs/dbraw/zinc/96/32/91/1121963291.db2.gz QLSKGTWEDIXGRX-PGRDOPGGSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398037479 1121963295 /nfs/dbraw/zinc/96/32/95/1121963295.db2.gz QLSKGTWEDIXGRX-PGRDOPGGSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COCc2ccccc21 ZINC000398105953 1121969766 /nfs/dbraw/zinc/96/97/66/1121969766.db2.gz BMTAXLUNVHNCQT-VOQZNFBZSA-N 2 1 336.479 3.758 20 0 EHADMP CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000672623375 1129028737 /nfs/dbraw/zinc/02/87/37/1129028737.db2.gz SLDVHHHKULVNSS-FSSWDIPSSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623375 1129028741 /nfs/dbraw/zinc/02/87/41/1129028741.db2.gz SLDVHHHKULVNSS-FSSWDIPSSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623375 1129028745 /nfs/dbraw/zinc/02/87/45/1129028745.db2.gz SLDVHHHKULVNSS-FSSWDIPSSA-N 2 1 343.559 3.704 20 0 EHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000127418541 1122483266 /nfs/dbraw/zinc/48/32/66/1122483266.db2.gz AFVRRJIEUCSFMT-KRWDZBQOSA-N 2 1 342.487 3.711 20 0 EHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000127418541 1122483268 /nfs/dbraw/zinc/48/32/68/1122483268.db2.gz AFVRRJIEUCSFMT-KRWDZBQOSA-N 2 1 342.487 3.711 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155903 1122900132 /nfs/dbraw/zinc/90/01/32/1122900132.db2.gz YGASAKVDSDJUPP-GRYCIOLGSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155903 1122900136 /nfs/dbraw/zinc/90/01/36/1122900136.db2.gz YGASAKVDSDJUPP-GRYCIOLGSA-N 2 1 329.307 3.788 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000556261455 1122904509 /nfs/dbraw/zinc/90/45/09/1122904509.db2.gz SEZHEZDIWDLCAK-ATKRNPRHSA-N 2 1 344.543 3.960 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000556598485 1123051667 /nfs/dbraw/zinc/05/16/67/1123051667.db2.gz OXCICRWJNLKNSH-UHFFFAOYSA-N 2 1 332.536 3.718 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)cc1Br ZINC001236212856 1123090579 /nfs/dbraw/zinc/09/05/79/1123090579.db2.gz AEHXOVNCYSQHLG-CVEARBPZSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)cc1Br ZINC001236212856 1123090584 /nfs/dbraw/zinc/09/05/84/1123090584.db2.gz AEHXOVNCYSQHLG-CVEARBPZSA-N 2 1 325.294 3.768 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000072858884 1123169382 /nfs/dbraw/zinc/16/93/82/1123169382.db2.gz ARMXOYUVZLPTMG-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000072858884 1123169386 /nfs/dbraw/zinc/16/93/86/1123169386.db2.gz ARMXOYUVZLPTMG-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000072858884 1123169388 /nfs/dbraw/zinc/16/93/88/1123169388.db2.gz ARMXOYUVZLPTMG-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C)c1OC(F)F ZINC000556897042 1123181771 /nfs/dbraw/zinc/18/17/71/1123181771.db2.gz GGRHZPSBTMPRAS-MRXNPFEDSA-N 2 1 338.442 3.823 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C)c1OC(F)F ZINC000556897042 1123181772 /nfs/dbraw/zinc/18/17/72/1123181772.db2.gz GGRHZPSBTMPRAS-MRXNPFEDSA-N 2 1 338.442 3.823 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132432599 1123228587 /nfs/dbraw/zinc/22/85/87/1123228587.db2.gz ICJKYAVDVBGPFX-KRWDZBQOSA-N 2 1 341.421 3.942 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3cc(C)ccn23)CC1 ZINC000134159136 1123497397 /nfs/dbraw/zinc/49/73/97/1123497397.db2.gz BYVFMWMUVIGSFZ-UHFFFAOYSA-N 2 1 328.504 3.587 20 0 EHADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246418023 1124461082 /nfs/dbraw/zinc/46/10/82/1124461082.db2.gz NAEQJHVHRZQJRR-SJORKVTESA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000246418023 1124461088 /nfs/dbraw/zinc/46/10/88/1124461088.db2.gz NAEQJHVHRZQJRR-SJORKVTESA-N 2 1 334.504 3.722 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246998437 1124577790 /nfs/dbraw/zinc/57/77/90/1124577790.db2.gz WTGJYWIXLUIMGK-YJBOKZPZSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246998437 1124577795 /nfs/dbraw/zinc/57/77/95/1124577795.db2.gz WTGJYWIXLUIMGK-YJBOKZPZSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246998437 1124577803 /nfs/dbraw/zinc/57/78/03/1124577803.db2.gz WTGJYWIXLUIMGK-YJBOKZPZSA-N 2 1 336.426 3.737 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc2ccccc21 ZINC000247334293 1124604925 /nfs/dbraw/zinc/60/49/25/1124604925.db2.gz NAQNXIJQUUGTQO-MJGOQNOKSA-N 2 1 326.484 3.727 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880989 1124629165 /nfs/dbraw/zinc/62/91/65/1124629165.db2.gz BPSLQXDMJCCRSN-NCXUSEDFSA-N 2 1 349.588 3.839 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880989 1124629169 /nfs/dbraw/zinc/62/91/69/1124629169.db2.gz BPSLQXDMJCCRSN-NCXUSEDFSA-N 2 1 349.588 3.839 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880989 1124629173 /nfs/dbraw/zinc/62/91/73/1124629173.db2.gz BPSLQXDMJCCRSN-NCXUSEDFSA-N 2 1 349.588 3.839 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965334 1124631843 /nfs/dbraw/zinc/63/18/43/1124631843.db2.gz GRYPPUSFOOIPLP-FUHWJXTLSA-N 2 1 327.497 3.726 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965334 1124631845 /nfs/dbraw/zinc/63/18/45/1124631845.db2.gz GRYPPUSFOOIPLP-FUHWJXTLSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965334 1124631847 /nfs/dbraw/zinc/63/18/47/1124631847.db2.gz GRYPPUSFOOIPLP-FUHWJXTLSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965334 1124631849 /nfs/dbraw/zinc/63/18/49/1124631849.db2.gz GRYPPUSFOOIPLP-FUHWJXTLSA-N 2 1 327.497 3.726 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999879 1124634284 /nfs/dbraw/zinc/63/42/84/1124634284.db2.gz KGUFBHPXYGQYQU-HNAYVOBHSA-N 2 1 345.874 3.911 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999879 1124634288 /nfs/dbraw/zinc/63/42/88/1124634288.db2.gz KGUFBHPXYGQYQU-HNAYVOBHSA-N 2 1 345.874 3.911 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999879 1124634294 /nfs/dbraw/zinc/63/42/94/1124634294.db2.gz KGUFBHPXYGQYQU-HNAYVOBHSA-N 2 1 345.874 3.911 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999879 1124634296 /nfs/dbraw/zinc/63/42/96/1124634296.db2.gz KGUFBHPXYGQYQU-HNAYVOBHSA-N 2 1 345.874 3.911 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247999879 1124634300 /nfs/dbraw/zinc/63/43/00/1124634300.db2.gz KGUFBHPXYGQYQU-HNAYVOBHSA-N 2 1 345.874 3.911 20 0 EHADMP CC(=O)c1c(C)cc(C)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000248161671 1124642828 /nfs/dbraw/zinc/64/28/28/1124642828.db2.gz SGVPBKFRBZIIEZ-AZUAARDMSA-N 2 1 328.500 3.731 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1C ZINC000248161671 1124642830 /nfs/dbraw/zinc/64/28/30/1124642830.db2.gz SGVPBKFRBZIIEZ-AZUAARDMSA-N 2 1 328.500 3.731 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248721597 1124692909 /nfs/dbraw/zinc/69/29/09/1124692909.db2.gz FMDZLQCTCYVGNN-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(Cl)cc21 ZINC000249211751 1124746087 /nfs/dbraw/zinc/74/60/87/1124746087.db2.gz YHCOVROSMMFXBU-IRXDYDNUSA-N 2 1 331.891 3.591 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(CC)CC ZINC000181540411 1124920593 /nfs/dbraw/zinc/92/05/93/1124920593.db2.gz ZWXIYLHCKHSECB-MSOLQXFVSA-N 2 1 342.487 3.649 20 0 EHADMP C([NH+]1CCC2(CCCC2)C1)C1(C[N@H+]2CCC3(CCCC3)C2)COC1 ZINC000182201762 1125210461 /nfs/dbraw/zinc/21/04/61/1125210461.db2.gz IREANPLDWKMHEJ-UHFFFAOYSA-N 2 1 332.532 3.535 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccn(C(F)F)n2)CC1 ZINC000347691065 1129205496 /nfs/dbraw/zinc/20/54/96/1129205496.db2.gz UQRKGEQNFNLOCX-OAHLLOKOSA-N 2 1 340.462 3.755 20 0 EHADMP Cc1cccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000765976349 1129358825 /nfs/dbraw/zinc/35/88/25/1129358825.db2.gz NOXWWMGFZLVFRY-FCHUYYIVSA-N 2 1 342.527 3.549 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C2CCOCC2)CC1 ZINC001168713471 1129359924 /nfs/dbraw/zinc/35/99/24/1129359924.db2.gz BVZBIXQGFJDRTK-BQFCYCMXSA-N 2 1 348.918 3.558 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000466470660 1129474713 /nfs/dbraw/zinc/47/47/13/1129474713.db2.gz AHUYNTDHUCTITB-UNMCSNQZSA-N 2 1 344.543 3.939 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429001020 1129687824 /nfs/dbraw/zinc/68/78/24/1129687824.db2.gz WJSKRYUVNJNBRA-NRFANRHFSA-N 2 1 330.516 3.781 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429001020 1129687827 /nfs/dbraw/zinc/68/78/27/1129687827.db2.gz WJSKRYUVNJNBRA-NRFANRHFSA-N 2 1 330.516 3.781 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429001020 1129687832 /nfs/dbraw/zinc/68/78/32/1129687832.db2.gz WJSKRYUVNJNBRA-NRFANRHFSA-N 2 1 330.516 3.781 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2CC)cc1)C(C)C ZINC000347783662 1129768319 /nfs/dbraw/zinc/76/83/19/1129768319.db2.gz ZPOVTTBFCABSOT-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1)C(C)C ZINC000347783662 1129768321 /nfs/dbraw/zinc/76/83/21/1129768321.db2.gz ZPOVTTBFCABSOT-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1)C(C)C ZINC000347783662 1129768324 /nfs/dbraw/zinc/76/83/24/1129768324.db2.gz ZPOVTTBFCABSOT-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cnn(-c2ccccc2)c1 ZINC000766044939 1129930426 /nfs/dbraw/zinc/93/04/26/1129930426.db2.gz NCZTYRXBBLFCPZ-LPHOPBHVSA-N 2 1 328.504 3.889 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000658041959 1130082942 /nfs/dbraw/zinc/08/29/42/1130082942.db2.gz MWIWOZFXISKKGG-IPELMVKDSA-N 2 1 335.451 3.824 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000785476399 1130301752 /nfs/dbraw/zinc/30/17/52/1130301752.db2.gz COYFKGXKGSLRMV-QAPCUYQASA-N 2 1 333.476 3.763 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000785476399 1130301759 /nfs/dbraw/zinc/30/17/59/1130301759.db2.gz COYFKGXKGSLRMV-QAPCUYQASA-N 2 1 333.476 3.763 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000658265019 1130325187 /nfs/dbraw/zinc/32/51/87/1130325187.db2.gz VQUIMSIGIDFMLW-AYWYSENESA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000766132556 1130381716 /nfs/dbraw/zinc/38/17/16/1130381716.db2.gz BHSNRURTWCVHBZ-BHIYHBOVSA-N 2 1 344.524 3.814 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000766132556 1130381721 /nfs/dbraw/zinc/38/17/21/1130381721.db2.gz BHSNRURTWCVHBZ-BHIYHBOVSA-N 2 1 344.524 3.814 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675752154 1130465103 /nfs/dbraw/zinc/46/51/03/1130465103.db2.gz LDSOOJXPOUQPKM-IMJJTQAJSA-N 2 1 342.405 3.905 20 0 EHADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675881485 1130500223 /nfs/dbraw/zinc/50/02/23/1130500223.db2.gz MDYVUGXFLVCZRT-FDFHNCONSA-N 2 1 342.527 3.946 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000166818796 1130601628 /nfs/dbraw/zinc/60/16/28/1130601628.db2.gz QIISSDLFTFQHBV-JKSUJKDBSA-N 2 1 342.405 3.653 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000166818796 1130601631 /nfs/dbraw/zinc/60/16/31/1130601631.db2.gz QIISSDLFTFQHBV-JKSUJKDBSA-N 2 1 342.405 3.653 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000180120098 1131642368 /nfs/dbraw/zinc/64/23/68/1131642368.db2.gz YBVUYWBDMMXVJH-JKSUJKDBSA-N 2 1 326.488 3.801 20 0 EHADMP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001172441266 1131742472 /nfs/dbraw/zinc/74/24/72/1131742472.db2.gz UTSPUGRHICXPAU-SBHAEUEKSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172448474 1131745501 /nfs/dbraw/zinc/74/55/01/1131745501.db2.gz MFVNBGKMLWNICJ-FPOVZHCZSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172458417 1131751232 /nfs/dbraw/zinc/75/12/32/1131751232.db2.gz YPCWEVWKARKCDV-TZIWHRDSSA-N 2 1 332.532 3.939 20 0 EHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565426 1131774421 /nfs/dbraw/zinc/77/44/21/1131774421.db2.gz YEGYTIHYYFTHFJ-CEMLEFRQSA-N 2 1 342.527 3.898 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172578823 1131791648 /nfs/dbraw/zinc/79/16/48/1131791648.db2.gz SBQICFJSPGQLJS-FZKQIMNGSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172578823 1131791654 /nfs/dbraw/zinc/79/16/54/1131791654.db2.gz SBQICFJSPGQLJS-FZKQIMNGSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172578823 1131791674 /nfs/dbraw/zinc/79/16/74/1131791674.db2.gz SBQICFJSPGQLJS-FZKQIMNGSA-N 2 1 342.861 3.967 20 0 EHADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@H]1F ZINC001206175049 1131846600 /nfs/dbraw/zinc/84/66/00/1131846600.db2.gz RLLOWGRAAFHJJH-CABCVRRESA-N 2 1 339.867 3.725 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@H]1F ZINC001206175049 1131846606 /nfs/dbraw/zinc/84/66/06/1131846606.db2.gz RLLOWGRAAFHJJH-CABCVRRESA-N 2 1 339.867 3.725 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)C1 ZINC001172941994 1131914216 /nfs/dbraw/zinc/91/42/16/1131914216.db2.gz MHYROPGDYCIEHK-RBUKOAKNSA-N 2 1 332.488 3.525 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001173103248 1131967050 /nfs/dbraw/zinc/96/70/50/1131967050.db2.gz GPOCTAHQYAMXJL-UHFFFAOYSA-N 3 1 344.547 3.601 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC001173105358 1131968327 /nfs/dbraw/zinc/96/83/27/1131968327.db2.gz RDWRAHORWZSUMP-OFLPRAFFSA-N 2 1 326.525 3.595 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001173116986 1131971819 /nfs/dbraw/zinc/97/18/19/1131971819.db2.gz HHLIHWVKJHGQQN-UHFFFAOYSA-N 2 1 347.522 3.991 20 0 EHADMP CC[NH+](CC)C1CCC(N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001173114017 1131971878 /nfs/dbraw/zinc/97/18/78/1131971878.db2.gz SFIBLIXHDOASMQ-UHFFFAOYSA-N 3 1 344.547 3.601 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173127307 1131974978 /nfs/dbraw/zinc/97/49/78/1131974978.db2.gz XXCYKHDKEZCLQW-XIRDDKMYSA-N 2 1 333.545 3.905 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843774 1131989531 /nfs/dbraw/zinc/98/95/31/1131989531.db2.gz URZFNJDEIYPALK-IRLDBZIGSA-N 2 1 344.543 3.781 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843774 1131989538 /nfs/dbraw/zinc/98/95/38/1131989538.db2.gz URZFNJDEIYPALK-IRLDBZIGSA-N 2 1 344.543 3.781 20 0 EHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000743859061 1131989915 /nfs/dbraw/zinc/98/99/15/1131989915.db2.gz MQACLFAKJXMWFL-PGRDOPGGSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000743859061 1131989924 /nfs/dbraw/zinc/98/99/24/1131989924.db2.gz MQACLFAKJXMWFL-PGRDOPGGSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001173173040 1131991538 /nfs/dbraw/zinc/99/15/38/1131991538.db2.gz LYZKXRYBOYUHKO-VBYALHQYSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001173173040 1131991544 /nfs/dbraw/zinc/99/15/44/1131991544.db2.gz LYZKXRYBOYUHKO-VBYALHQYSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001173173040 1131991548 /nfs/dbraw/zinc/99/15/48/1131991548.db2.gz LYZKXRYBOYUHKO-VBYALHQYSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173212715 1132014129 /nfs/dbraw/zinc/01/41/29/1132014129.db2.gz ZCWVHYXEGHHNGZ-FXAWDEMLSA-N 2 1 349.478 3.528 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001173438237 1132069042 /nfs/dbraw/zinc/06/90/42/1132069042.db2.gz ZEWIMNPIMXJIGC-CMKODMSKSA-N 2 1 346.515 3.751 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001173438237 1132069052 /nfs/dbraw/zinc/06/90/52/1132069052.db2.gz ZEWIMNPIMXJIGC-CMKODMSKSA-N 2 1 346.515 3.751 20 0 EHADMP Fc1cc2c(cc1F)CC([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001173483665 1132076662 /nfs/dbraw/zinc/07/66/62/1132076662.db2.gz ULPTVYIERLGKLP-QGZVFWFLSA-N 2 1 334.454 3.772 20 0 EHADMP Fc1cc2c(cc1F)CC([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001173483665 1132076670 /nfs/dbraw/zinc/07/66/70/1132076670.db2.gz ULPTVYIERLGKLP-QGZVFWFLSA-N 2 1 334.454 3.772 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cnn1-c1ccccc1 ZINC000766478343 1132556906 /nfs/dbraw/zinc/55/69/06/1132556906.db2.gz ITOSQDAEEGVTID-VDZJLULYSA-N 2 1 326.488 3.704 20 0 EHADMP CC[C@@H]1CN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC001169103168 1132655554 /nfs/dbraw/zinc/65/55/54/1132655554.db2.gz SXNOCHDGJMXIAI-RZUBCFFCSA-N 2 1 343.559 3.561 20 0 EHADMP CC[C@@H]1CN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001169103168 1132655557 /nfs/dbraw/zinc/65/55/57/1132655557.db2.gz SXNOCHDGJMXIAI-RZUBCFFCSA-N 2 1 343.559 3.561 20 0 EHADMP CC[C@@H]1CN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001169103168 1132655560 /nfs/dbraw/zinc/65/55/60/1132655560.db2.gz SXNOCHDGJMXIAI-RZUBCFFCSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124734 1132665278 /nfs/dbraw/zinc/66/52/78/1132665278.db2.gz OQBWMEXCKDUCMQ-IEBWSBKVSA-N 2 1 338.499 3.615 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC001169127979 1132665791 /nfs/dbraw/zinc/66/57/91/1132665791.db2.gz AWLYSDDVPFRMSK-BJWYYQGGSA-N 2 1 343.446 3.772 20 0 EHADMP CCCCCCOC(=O)CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108582 1132670283 /nfs/dbraw/zinc/67/02/83/1132670283.db2.gz BXXSTCNHIPUSDH-LDLYASANSA-N 2 1 338.536 3.885 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCOCC2)CC1 ZINC001169240845 1132708014 /nfs/dbraw/zinc/70/80/14/1132708014.db2.gz LRDIXIPSZXYNFQ-UHFFFAOYSA-N 2 1 336.907 3.506 20 0 EHADMP CC[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)CC1 ZINC001169255563 1132711142 /nfs/dbraw/zinc/71/11/42/1132711142.db2.gz SDWUAVJOOSOILJ-FKBYEOEOSA-N 2 1 340.511 3.668 20 0 EHADMP CC[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)CC1 ZINC001169255563 1132711148 /nfs/dbraw/zinc/71/11/48/1132711148.db2.gz SDWUAVJOOSOILJ-FKBYEOEOSA-N 2 1 340.511 3.668 20 0 EHADMP C[C@H]1C[N@@H+](CCCc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001175775277 1132763393 /nfs/dbraw/zinc/76/33/93/1132763393.db2.gz QDTSRBBTHSZJGK-HNNXBMFYSA-N 2 1 331.410 3.503 20 0 EHADMP C[NH+](C)CCCNC(=O)c1ccc(Nc2cccc3cc[nH+]cc32)cc1 ZINC001175827397 1132778970 /nfs/dbraw/zinc/77/89/70/1132778970.db2.gz ZINCWVDLIXAFAG-UHFFFAOYSA-N 2 1 348.450 3.660 20 0 EHADMP CCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H](C)C(=O)OCC ZINC001169933576 1132901840 /nfs/dbraw/zinc/90/18/40/1132901840.db2.gz QHVUWPUCCMYMSQ-GOSISDBHSA-N 2 1 346.515 3.836 20 0 EHADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H](C)C(=O)OCC ZINC001169933576 1132901844 /nfs/dbraw/zinc/90/18/44/1132901844.db2.gz QHVUWPUCCMYMSQ-GOSISDBHSA-N 2 1 346.515 3.836 20 0 EHADMP CC1(C)CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)N1O ZINC001169966940 1132911351 /nfs/dbraw/zinc/91/13/51/1132911351.db2.gz YCZFSPMCRCQJNZ-UHFFFAOYSA-N 2 1 345.531 3.651 20 0 EHADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2c3ccccc3n(C)c2-c2ccccc2)C1 ZINC001206276878 1132959596 /nfs/dbraw/zinc/95/95/96/1132959596.db2.gz KZMYLOODMAPUQZ-QGZVFWFLSA-N 2 1 333.479 3.887 20 0 EHADMP Clc1ccccc1Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC001177136180 1133033470 /nfs/dbraw/zinc/03/34/70/1133033470.db2.gz HHQCQBUPOGTHGQ-UHFFFAOYSA-N 2 1 346.906 3.550 20 0 EHADMP CC(C)C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001177199883 1133038041 /nfs/dbraw/zinc/03/80/41/1133038041.db2.gz RCPKUQFJZXUVGM-WOJBJXKFSA-N 2 1 331.548 3.605 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000067668403 1133064759 /nfs/dbraw/zinc/06/47/59/1133064759.db2.gz PBVTWYNBUAVZGH-UHFFFAOYSA-N 2 1 340.467 3.588 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)ccc2Br)CC1 ZINC001206305228 1133077708 /nfs/dbraw/zinc/07/77/08/1133077708.db2.gz WSTZAHCJBOXKEK-OAHLLOKOSA-N 2 1 329.257 3.539 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC001177843635 1133107171 /nfs/dbraw/zinc/10/71/71/1133107171.db2.gz CNUMTRBMIIMXIT-LPHOPBHVSA-N 2 1 338.923 3.875 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn3ccccc23)[C@@H]1c1cccs1 ZINC001177918651 1133112838 /nfs/dbraw/zinc/11/28/38/1133112838.db2.gz BBRDHPXVRVZVAD-DNVCBOLYSA-N 2 1 340.496 3.569 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn3ccccc23)[C@@H]1c1cccs1 ZINC001177918651 1133112844 /nfs/dbraw/zinc/11/28/44/1133112844.db2.gz BBRDHPXVRVZVAD-DNVCBOLYSA-N 2 1 340.496 3.569 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC001179015958 1133221423 /nfs/dbraw/zinc/22/14/23/1133221423.db2.gz SCOJCMLMSSTKCU-VJBWXMMDSA-N 2 1 334.507 3.869 20 0 EHADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001179316416 1133243488 /nfs/dbraw/zinc/24/34/88/1133243488.db2.gz UYJOWBPVPTUMSI-GOSISDBHSA-N 2 1 336.483 3.750 20 0 EHADMP COc1ccsc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001179338935 1133246014 /nfs/dbraw/zinc/24/60/14/1133246014.db2.gz OYPDFRURWALONQ-RDJZCZTQSA-N 2 1 330.497 3.614 20 0 EHADMP COc1ccsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001179338935 1133246020 /nfs/dbraw/zinc/24/60/20/1133246020.db2.gz OYPDFRURWALONQ-RDJZCZTQSA-N 2 1 330.497 3.614 20 0 EHADMP C[C@H](C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1)NC(=O)OC(C)(C)C ZINC000769677859 1133328741 /nfs/dbraw/zinc/32/87/41/1133328741.db2.gz GFNAOUXPVCVIRP-HZPDHXFCSA-N 2 1 341.540 3.532 20 0 EHADMP C[NH+]1CCC(C[N@@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC001180184100 1133336704 /nfs/dbraw/zinc/33/67/04/1133336704.db2.gz LRJIJZJCZRROLQ-UHFFFAOYSA-N 2 1 344.499 3.892 20 0 EHADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001183095265 1133768402 /nfs/dbraw/zinc/76/84/02/1133768402.db2.gz NVJMBSWSGNUPDS-IPMKNSEASA-N 2 1 334.548 3.824 20 0 EHADMP COc1ccc(SCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001183227587 1133781122 /nfs/dbraw/zinc/78/11/22/1133781122.db2.gz UQAKEVUXOSHNMR-UHFFFAOYSA-N 2 1 334.529 3.738 20 0 EHADMP CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205317113 1133998323 /nfs/dbraw/zinc/99/83/23/1133998323.db2.gz MGMKZXBGCWSUHR-XJKSGUPXSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205317113 1133998332 /nfs/dbraw/zinc/99/83/32/1133998332.db2.gz MGMKZXBGCWSUHR-XJKSGUPXSA-N 2 1 339.321 3.989 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881064 1134098318 /nfs/dbraw/zinc/09/83/18/1134098318.db2.gz OSSDZCRPJVSWMV-LEWJYISDSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881064 1134098325 /nfs/dbraw/zinc/09/83/25/1134098325.db2.gz OSSDZCRPJVSWMV-LEWJYISDSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881064 1134098333 /nfs/dbraw/zinc/09/83/33/1134098333.db2.gz OSSDZCRPJVSWMV-LEWJYISDSA-N 2 1 326.484 3.667 20 0 EHADMP COc1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc(Cl)c1Cl ZINC001206036147 1134148602 /nfs/dbraw/zinc/14/86/02/1134148602.db2.gz HCZALEDOWYMFQT-RYUDHWBXSA-N 2 1 331.287 3.809 20 0 EHADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134818 1134410694 /nfs/dbraw/zinc/41/06/94/1134410694.db2.gz DUSQKDHKQYTTAA-AGOPTVSRSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134818 1134410698 /nfs/dbraw/zinc/41/06/98/1134410698.db2.gz DUSQKDHKQYTTAA-AGOPTVSRSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134818 1134410699 /nfs/dbraw/zinc/41/06/99/1134410699.db2.gz DUSQKDHKQYTTAA-AGOPTVSRSA-N 2 1 346.559 3.636 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000076478714 1134528858 /nfs/dbraw/zinc/52/88/58/1134528858.db2.gz ZCQKODJRAUWEJC-QGZVFWFLSA-N 2 1 344.421 3.543 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775360663 1134665326 /nfs/dbraw/zinc/66/53/26/1134665326.db2.gz AEQGHMGFIDXVLA-IXDOHACOSA-N 2 1 328.591 3.610 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600279 1134894757 /nfs/dbraw/zinc/89/47/57/1134894757.db2.gz DMHAEPOPJUQWII-RHSMWYFYSA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600279 1134894763 /nfs/dbraw/zinc/89/47/63/1134894763.db2.gz DMHAEPOPJUQWII-RHSMWYFYSA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600279 1134894768 /nfs/dbraw/zinc/89/47/68/1134894768.db2.gz DMHAEPOPJUQWII-RHSMWYFYSA-N 2 1 339.321 3.654 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000793338806 1134907640 /nfs/dbraw/zinc/90/76/40/1134907640.db2.gz XUJINDXRASOSLH-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531114 1134959644 /nfs/dbraw/zinc/95/96/44/1134959644.db2.gz CSBCSOITBADDLB-RLFYNMQTSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531114 1134959648 /nfs/dbraw/zinc/95/96/48/1134959648.db2.gz CSBCSOITBADDLB-RLFYNMQTSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531114 1134959652 /nfs/dbraw/zinc/95/96/52/1134959652.db2.gz CSBCSOITBADDLB-RLFYNMQTSA-N 2 1 332.517 3.524 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000793531114 1134959656 /nfs/dbraw/zinc/95/96/56/1134959656.db2.gz CSBCSOITBADDLB-RLFYNMQTSA-N 2 1 332.517 3.524 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC(C)(C)CO1 ZINC001192909904 1135071766 /nfs/dbraw/zinc/07/17/66/1135071766.db2.gz PENMYOFPTHZZGR-HXUWFJFHSA-N 2 1 345.531 3.825 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205618145 1135083757 /nfs/dbraw/zinc/08/37/57/1135083757.db2.gz SBKSJIMFVVMGHS-VXGBXAGGSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205626826 1135117401 /nfs/dbraw/zinc/11/74/01/1135117401.db2.gz JPTZCXPAVULXRY-DGCLKSJQSA-N 2 1 343.284 3.703 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205626526 1135119735 /nfs/dbraw/zinc/11/97/35/1135119735.db2.gz GXFPHJYMZUZGGT-WCQYABFASA-N 2 1 345.712 3.909 20 0 EHADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000806129397 1135395715 /nfs/dbraw/zinc/39/57/15/1135395715.db2.gz FUPGFOQZZRWOQO-GOSISDBHSA-N 2 1 341.886 3.760 20 0 EHADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000806129397 1135395722 /nfs/dbraw/zinc/39/57/22/1135395722.db2.gz FUPGFOQZZRWOQO-GOSISDBHSA-N 2 1 341.886 3.760 20 0 EHADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912282 1135489872 /nfs/dbraw/zinc/48/98/72/1135489872.db2.gz YRDTXWPNOKQXKE-UNMCSNQZSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912282 1135489875 /nfs/dbraw/zinc/48/98/75/1135489875.db2.gz YRDTXWPNOKQXKE-UNMCSNQZSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912282 1135489880 /nfs/dbraw/zinc/48/98/80/1135489880.db2.gz YRDTXWPNOKQXKE-UNMCSNQZSA-N 2 1 346.559 3.694 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000775692115 1135531439 /nfs/dbraw/zinc/53/14/39/1135531439.db2.gz YDGTWSZUMQOFBC-VNQPRFMTSA-N 2 1 327.299 3.680 20 0 EHADMP c1cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)ccc1C[NH+]1CCCCC1 ZINC001197033351 1135643172 /nfs/dbraw/zinc/64/31/72/1135643172.db2.gz WJKWCGOIORVLLQ-PMACEKPBSA-N 2 1 330.541 3.857 20 0 EHADMP CN(C)c1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591217 1135711555 /nfs/dbraw/zinc/71/15/55/1135711555.db2.gz WHWDKZYFPLKFEG-GGAORHGYSA-N 2 1 349.522 3.707 20 0 EHADMP CN(C)c1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591217 1135711559 /nfs/dbraw/zinc/71/15/59/1135711559.db2.gz WHWDKZYFPLKFEG-GGAORHGYSA-N 2 1 349.522 3.707 20 0 EHADMP CN(C)c1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591217 1135711563 /nfs/dbraw/zinc/71/15/63/1135711563.db2.gz WHWDKZYFPLKFEG-GGAORHGYSA-N 2 1 349.522 3.707 20 0 EHADMP CN(C)c1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591217 1135711567 /nfs/dbraw/zinc/71/15/67/1135711567.db2.gz WHWDKZYFPLKFEG-GGAORHGYSA-N 2 1 349.522 3.707 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncccc2C(F)(F)F)cc1 ZINC000809739156 1135883612 /nfs/dbraw/zinc/88/36/12/1135883612.db2.gz ZGMWOEYIKIKNGV-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncccc2C(F)(F)F)cc1 ZINC000809739156 1135883613 /nfs/dbraw/zinc/88/36/13/1135883613.db2.gz ZGMWOEYIKIKNGV-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1sc2nc(C)nc(C)c2c1C ZINC000809757858 1135887483 /nfs/dbraw/zinc/88/74/83/1135887483.db2.gz ZKFKTSCCLAMIFK-UHFFFAOYSA-N 2 1 334.533 3.780 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@@H](C)C3)cc2)C1 ZINC001199320674 1135897414 /nfs/dbraw/zinc/89/74/14/1135897414.db2.gz PJZMHWLIVAVMAE-TWFHAPMSSA-N 2 1 330.516 3.822 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC001199760134 1135926946 /nfs/dbraw/zinc/92/69/46/1135926946.db2.gz NVHOGCOXOSUSBZ-FGTMMUONSA-N 2 1 330.516 3.899 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201417783 1136017859 /nfs/dbraw/zinc/01/78/59/1136017859.db2.gz WSYTVDXOISVHFQ-UGESXGAOSA-N 2 1 339.527 3.970 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201417783 1136017863 /nfs/dbraw/zinc/01/78/63/1136017863.db2.gz WSYTVDXOISVHFQ-UGESXGAOSA-N 2 1 339.527 3.970 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201417783 1136017867 /nfs/dbraw/zinc/01/78/67/1136017867.db2.gz WSYTVDXOISVHFQ-UGESXGAOSA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201417783 1136017871 /nfs/dbraw/zinc/01/78/71/1136017871.db2.gz WSYTVDXOISVHFQ-UGESXGAOSA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201417783 1136017875 /nfs/dbraw/zinc/01/78/75/1136017875.db2.gz WSYTVDXOISVHFQ-UGESXGAOSA-N 2 1 339.527 3.970 20 0 EHADMP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947022 1136077160 /nfs/dbraw/zinc/07/71/60/1136077160.db2.gz PVIUPBWTWBFJBQ-JPBKIQTRSA-N 2 1 328.500 3.951 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC001202102270 1136094419 /nfs/dbraw/zinc/09/44/19/1136094419.db2.gz OSRPHFDGWLPLMW-GBESFXJTSA-N 2 1 330.516 3.833 20 0 EHADMP [NH3+]C1CCC(N(c2nc3[nH]ccc3c[nH+]2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170645068 1136141424 /nfs/dbraw/zinc/14/14/24/1136141424.db2.gz YMJKWGZTPYURMK-WZOJCFFYSA-N 2 1 347.466 3.542 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2SCCS2)C3)cc1 ZINC000850571595 1136289132 /nfs/dbraw/zinc/28/91/32/1136289132.db2.gz YWRFYAOBTVLBNE-BCDXTJNWSA-N 2 1 348.581 3.968 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561479 1136795545 /nfs/dbraw/zinc/79/55/45/1136795545.db2.gz VRFQUTCSORFYJW-WIYYLYMNSA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561479 1136795549 /nfs/dbraw/zinc/79/55/49/1136795549.db2.gz VRFQUTCSORFYJW-WIYYLYMNSA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561479 1136795553 /nfs/dbraw/zinc/79/55/53/1136795553.db2.gz VRFQUTCSORFYJW-WIYYLYMNSA-N 2 1 343.515 3.731 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3=CCCCC3)C2)ccn1 ZINC000856584880 1136797565 /nfs/dbraw/zinc/79/75/65/1136797565.db2.gz UCQWPSLLDHMBOE-NRFANRHFSA-N 2 1 343.515 3.877 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3=CCCCC3)C2)ccn1 ZINC000856584880 1136797568 /nfs/dbraw/zinc/79/75/68/1136797568.db2.gz UCQWPSLLDHMBOE-NRFANRHFSA-N 2 1 343.515 3.877 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)ccn1 ZINC000856584880 1136797571 /nfs/dbraw/zinc/79/75/71/1136797571.db2.gz UCQWPSLLDHMBOE-NRFANRHFSA-N 2 1 343.515 3.877 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000817584261 1136824791 /nfs/dbraw/zinc/82/47/91/1136824791.db2.gz VYXXQZMOKYAHSC-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000817905516 1136844986 /nfs/dbraw/zinc/84/49/86/1136844986.db2.gz JJLNBEWDSGTUCM-OWCLPIDISA-N 2 1 337.250 3.761 20 0 EHADMP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819042621 1136901483 /nfs/dbraw/zinc/90/14/83/1136901483.db2.gz KKIBJPDMEMQZPO-QGZVFWFLSA-N 2 1 345.314 3.881 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCc4cn[nH]c43)c2)CC1 ZINC000857853161 1136913220 /nfs/dbraw/zinc/91/32/20/1136913220.db2.gz MNZDUXYROGHZNN-FQEVSTJZSA-N 2 1 338.499 3.809 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCc4c[nH]nc43)c2)CC1 ZINC000857853161 1136913222 /nfs/dbraw/zinc/91/32/22/1136913222.db2.gz MNZDUXYROGHZNN-FQEVSTJZSA-N 2 1 338.499 3.809 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000819125653 1136916486 /nfs/dbraw/zinc/91/64/86/1136916486.db2.gz GWTYJUDLXMJBOA-NQIIRXRSSA-N 2 1 326.484 3.529 20 0 EHADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858166790 1136945916 /nfs/dbraw/zinc/94/59/16/1136945916.db2.gz ALNFWFODNXQRTJ-HOTGVXAUSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccns1 ZINC000858576508 1136979921 /nfs/dbraw/zinc/97/99/21/1136979921.db2.gz LUUVOKFQPQQROY-CCNLRDMRSA-N 2 1 327.497 3.989 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccns1 ZINC000858576508 1136979923 /nfs/dbraw/zinc/97/99/23/1136979923.db2.gz LUUVOKFQPQQROY-CCNLRDMRSA-N 2 1 327.497 3.989 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750389 1137072741 /nfs/dbraw/zinc/07/27/41/1137072741.db2.gz LDOFPRMQTMOXRW-JLZZUVOBSA-N 2 1 345.314 3.689 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750389 1137072742 /nfs/dbraw/zinc/07/27/42/1137072742.db2.gz LDOFPRMQTMOXRW-JLZZUVOBSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750389 1137072743 /nfs/dbraw/zinc/07/27/43/1137072743.db2.gz LDOFPRMQTMOXRW-JLZZUVOBSA-N 2 1 345.314 3.689 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822750389 1137072744 /nfs/dbraw/zinc/07/27/44/1137072744.db2.gz LDOFPRMQTMOXRW-JLZZUVOBSA-N 2 1 345.314 3.689 20 0 EHADMP Cc1c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862353092 1137139391 /nfs/dbraw/zinc/13/93/91/1137139391.db2.gz TUTIZFXHAJBTNC-HXUWFJFHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862353092 1137139392 /nfs/dbraw/zinc/13/93/92/1137139392.db2.gz TUTIZFXHAJBTNC-HXUWFJFHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136981200 1137162976 /nfs/dbraw/zinc/16/29/76/1137162976.db2.gz GMJXKCNVYVBXEC-UHFFFAOYSA-N 2 1 338.430 3.749 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171140128 1137240414 /nfs/dbraw/zinc/24/04/14/1137240414.db2.gz URKBBZXGNVVZMN-IUODEOHRSA-N 2 1 327.299 3.782 20 0 EHADMP Cc1c(O)cccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144122020 1137241089 /nfs/dbraw/zinc/24/10/89/1137241089.db2.gz SMKGZOJACJMJQP-LEWJYISDSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001144122020 1137241090 /nfs/dbraw/zinc/24/10/90/1137241090.db2.gz SMKGZOJACJMJQP-LEWJYISDSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001144122020 1137241091 /nfs/dbraw/zinc/24/10/91/1137241091.db2.gz SMKGZOJACJMJQP-LEWJYISDSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144122020 1137241092 /nfs/dbraw/zinc/24/10/92/1137241092.db2.gz SMKGZOJACJMJQP-LEWJYISDSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144122020 1137241093 /nfs/dbraw/zinc/24/10/93/1137241093.db2.gz SMKGZOJACJMJQP-LEWJYISDSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1-c1ccccc1 ZINC000844926125 1137263434 /nfs/dbraw/zinc/26/34/34/1137263434.db2.gz WOQWDSDLRPNVKY-CQSZACIVSA-N 2 1 338.430 3.629 20 0 EHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cnc(OC)c(F)c3)CC2)CC1 ZINC001144465945 1137297258 /nfs/dbraw/zinc/29/72/58/1137297258.db2.gz CIJFOOOFGAPUSO-UHFFFAOYSA-N 2 1 349.494 3.563 20 0 EHADMP c1[nH+]c(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c2ccccn12 ZINC001144625206 1137318275 /nfs/dbraw/zinc/31/82/75/1137318275.db2.gz IAIROAFQEHVRCN-NRFANRHFSA-N 2 1 346.478 3.530 20 0 EHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Br)c1 ZINC001144693623 1137331897 /nfs/dbraw/zinc/33/18/97/1137331897.db2.gz PDAGOSBHESLFEO-UHFFFAOYSA-N 2 1 333.701 3.876 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Br)c1 ZINC001144693623 1137331898 /nfs/dbraw/zinc/33/18/98/1137331898.db2.gz PDAGOSBHESLFEO-UHFFFAOYSA-N 2 1 333.701 3.876 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001144729114 1137337350 /nfs/dbraw/zinc/33/73/50/1137337350.db2.gz AQBNZUGMDONDEK-UHFFFAOYSA-N 2 1 328.834 3.926 20 0 EHADMP CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000866452748 1137356020 /nfs/dbraw/zinc/35/60/20/1137356020.db2.gz NNMJDJFJTVODPK-KRWDZBQOSA-N 2 1 325.500 3.716 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537429 1137362734 /nfs/dbraw/zinc/36/27/34/1137362734.db2.gz OIGCLYNNOHGDRV-MQGJPIDWSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537429 1137362736 /nfs/dbraw/zinc/36/27/36/1137362736.db2.gz OIGCLYNNOHGDRV-MQGJPIDWSA-N 2 1 342.527 3.549 20 0 EHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866562911 1137364917 /nfs/dbraw/zinc/36/49/17/1137364917.db2.gz WSYTUYODIVIOAS-WIHSUSGWSA-N 2 1 348.453 3.609 20 0 EHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866562911 1137364918 /nfs/dbraw/zinc/36/49/18/1137364918.db2.gz WSYTUYODIVIOAS-WIHSUSGWSA-N 2 1 348.453 3.609 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000846813260 1137368863 /nfs/dbraw/zinc/36/88/63/1137368863.db2.gz FAQQIWFGTVPCFX-WMZOPIPTSA-N 2 1 347.528 3.783 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000846813260 1137368865 /nfs/dbraw/zinc/36/88/65/1137368865.db2.gz FAQQIWFGTVPCFX-WMZOPIPTSA-N 2 1 347.528 3.783 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)CC2 ZINC001171287196 1137395421 /nfs/dbraw/zinc/39/54/21/1137395421.db2.gz CYLVORXLDZUAAW-BVGQSLNGSA-N 2 1 336.907 3.668 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)oc1C ZINC000282709669 1137439969 /nfs/dbraw/zinc/43/99/69/1137439969.db2.gz LJMWBDGFSSTMGF-OXQOHEQNSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)oc1C ZINC000282709669 1137439970 /nfs/dbraw/zinc/43/99/70/1137439970.db2.gz LJMWBDGFSSTMGF-OXQOHEQNSA-N 2 1 342.483 3.704 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001171354077 1137456908 /nfs/dbraw/zinc/45/69/08/1137456908.db2.gz JTEOXGCGVDJPAR-IAGOWNOFSA-N 2 1 334.454 3.819 20 0 EHADMP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001171354077 1137456909 /nfs/dbraw/zinc/45/69/09/1137456909.db2.gz JTEOXGCGVDJPAR-IAGOWNOFSA-N 2 1 334.454 3.819 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171445381 1137486493 /nfs/dbraw/zinc/48/64/93/1137486493.db2.gz JVOMLZLJMPSTFT-SFHVURJKSA-N 2 1 339.458 3.645 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716629424 1137488015 /nfs/dbraw/zinc/48/80/15/1137488015.db2.gz YVRBGRONFXWPFN-SPGCNSLESA-N 3 1 341.543 3.502 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716713772 1137488590 /nfs/dbraw/zinc/48/85/90/1137488590.db2.gz QLRXWCVEDMVROO-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716713772 1137488591 /nfs/dbraw/zinc/48/85/91/1137488591.db2.gz QLRXWCVEDMVROO-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716713772 1137488593 /nfs/dbraw/zinc/48/85/93/1137488593.db2.gz QLRXWCVEDMVROO-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716696591 1137488711 /nfs/dbraw/zinc/48/87/11/1137488711.db2.gz CUDJJXXHUXPSEM-FHWLQOOXSA-N 2 1 341.524 3.903 20 0 EHADMP Cc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171551221 1137497359 /nfs/dbraw/zinc/49/73/59/1137497359.db2.gz OHYVTZYJOBEJAK-UNMCSNQZSA-N 2 1 334.507 3.964 20 0 EHADMP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000123204141 1137501148 /nfs/dbraw/zinc/50/11/48/1137501148.db2.gz FXYXSZPVVIGBHV-HXUWFJFHSA-N 2 1 344.499 3.700 20 0 EHADMP CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000123204141 1137501150 /nfs/dbraw/zinc/50/11/50/1137501150.db2.gz FXYXSZPVVIGBHV-HXUWFJFHSA-N 2 1 344.499 3.700 20 0 EHADMP C[C@H]1C[C@H](n2cncc2-c2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171739329 1137510794 /nfs/dbraw/zinc/51/07/94/1137510794.db2.gz BXQIFAQDTHITCL-UWJYYQICSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@H](n2cncc2-c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171740959 1137511154 /nfs/dbraw/zinc/51/11/54/1137511154.db2.gz MHIZHEMSQUETSK-UTKZUKDTSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742722 1137511618 /nfs/dbraw/zinc/51/16/18/1137511618.db2.gz YYJXQWFXFZOSQP-IYERYRBDSA-N 2 1 341.543 3.774 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000123432160 1137517195 /nfs/dbraw/zinc/51/71/95/1137517195.db2.gz HMUVYQFMYGIKMY-UHFFFAOYSA-N 2 1 330.303 3.942 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001171963172 1137520031 /nfs/dbraw/zinc/52/00/31/1137520031.db2.gz DRRCUHAKIFPYHP-YOEHRIQHSA-N 2 1 326.406 3.664 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001171963172 1137520033 /nfs/dbraw/zinc/52/00/33/1137520033.db2.gz DRRCUHAKIFPYHP-YOEHRIQHSA-N 2 1 326.406 3.664 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171965047 1137520422 /nfs/dbraw/zinc/52/04/22/1137520422.db2.gz NTYXZDMCMHDURU-IRFCIJBXSA-N 2 1 330.516 3.713 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171967834 1137520715 /nfs/dbraw/zinc/52/07/15/1137520715.db2.gz NNOVJHINXDMKFI-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967834 1137520717 /nfs/dbraw/zinc/52/07/17/1137520717.db2.gz NNOVJHINXDMKFI-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967834 1137520718 /nfs/dbraw/zinc/52/07/18/1137520718.db2.gz NNOVJHINXDMKFI-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967834 1137520720 /nfs/dbraw/zinc/52/07/20/1137520720.db2.gz NNOVJHINXDMKFI-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967834 1137520722 /nfs/dbraw/zinc/52/07/22/1137520722.db2.gz NNOVJHINXDMKFI-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1C ZINC001171972581 1137524098 /nfs/dbraw/zinc/52/40/98/1137524098.db2.gz RKDUKADUXIADGG-IBGZPJMESA-N 2 1 325.500 3.866 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974949 1137524663 /nfs/dbraw/zinc/52/46/63/1137524663.db2.gz BDQQMWVGHUQVOY-PZJWPPBQSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974949 1137524665 /nfs/dbraw/zinc/52/46/65/1137524665.db2.gz BDQQMWVGHUQVOY-PZJWPPBQSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974949 1137524666 /nfs/dbraw/zinc/52/46/66/1137524666.db2.gz BDQQMWVGHUQVOY-PZJWPPBQSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974949 1137524668 /nfs/dbraw/zinc/52/46/68/1137524668.db2.gz BDQQMWVGHUQVOY-PZJWPPBQSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975964 1137525299 /nfs/dbraw/zinc/52/52/99/1137525299.db2.gz OFBRBQJWWMIFEJ-MNLRITNHSA-N 3 1 343.559 3.927 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CCN1Cc1ccccc1 ZINC001171975964 1137525301 /nfs/dbraw/zinc/52/53/01/1137525301.db2.gz OFBRBQJWWMIFEJ-MNLRITNHSA-N 2 1 343.559 3.927 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977298 1137525533 /nfs/dbraw/zinc/52/55/33/1137525533.db2.gz PVYLHMIOVDWXNW-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977298 1137525535 /nfs/dbraw/zinc/52/55/35/1137525535.db2.gz PVYLHMIOVDWXNW-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP COC1(C)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976443 1137525604 /nfs/dbraw/zinc/52/56/04/1137525604.db2.gz LICYJHWLYZALIN-IBGZPJMESA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3CCCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979185 1137525773 /nfs/dbraw/zinc/52/57/73/1137525773.db2.gz CUEIBEKDYPUFGL-NJDAHSKKSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979185 1137525775 /nfs/dbraw/zinc/52/57/75/1137525775.db2.gz CUEIBEKDYPUFGL-NJDAHSKKSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979185 1137525776 /nfs/dbraw/zinc/52/57/76/1137525776.db2.gz CUEIBEKDYPUFGL-NJDAHSKKSA-N 2 1 342.527 3.931 20 0 EHADMP CCOC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171979390 1137525988 /nfs/dbraw/zinc/52/59/88/1137525988.db2.gz AOYKFDPJAGQIEA-IBGZPJMESA-N 2 1 330.516 3.931 20 0 EHADMP CCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)OCCO1 ZINC001171977712 1137526248 /nfs/dbraw/zinc/52/62/48/1137526248.db2.gz UCKRZIBZMCJWGK-LJQANCHMSA-N 2 1 346.515 3.562 20 0 EHADMP CCOC(=O)CC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980820 1137526607 /nfs/dbraw/zinc/52/66/07/1137526607.db2.gz XDIFSYOLOXMTFZ-GOSISDBHSA-N 2 1 344.499 3.505 20 0 EHADMP CC[N@H+](C1CCOCC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985179 1137527100 /nfs/dbraw/zinc/52/71/00/1137527100.db2.gz SNZMETRARWADMU-HXUWFJFHSA-N 2 1 330.516 3.931 20 0 EHADMP CC[N@@H+](C1CCOCC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985179 1137527102 /nfs/dbraw/zinc/52/71/02/1137527102.db2.gz SNZMETRARWADMU-HXUWFJFHSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](C1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985179 1137527104 /nfs/dbraw/zinc/52/71/04/1137527104.db2.gz SNZMETRARWADMU-HXUWFJFHSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985179 1137527106 /nfs/dbraw/zinc/52/71/06/1137527106.db2.gz SNZMETRARWADMU-HXUWFJFHSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH2+]CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171985986 1137527336 /nfs/dbraw/zinc/52/73/36/1137527336.db2.gz DMIWTYFDGDHCQD-LJQANCHMSA-N 2 1 331.548 3.750 20 0 EHADMP C[NH2+]Cc1c(C)nn([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1C ZINC001171983858 1137527465 /nfs/dbraw/zinc/52/74/65/1137527465.db2.gz AVXNRZVGKCWCHG-LJQANCHMSA-N 2 1 340.515 3.835 20 0 EHADMP CC[N@H+](CCn1ccnc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987008 1137527915 /nfs/dbraw/zinc/52/79/15/1137527915.db2.gz OONOWUUDUYPOAF-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[N@@H+](CCn1ccnc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987008 1137527917 /nfs/dbraw/zinc/52/79/17/1137527917.db2.gz OONOWUUDUYPOAF-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987008 1137527919 /nfs/dbraw/zinc/52/79/19/1137527919.db2.gz OONOWUUDUYPOAF-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987008 1137527921 /nfs/dbraw/zinc/52/79/21/1137527921.db2.gz OONOWUUDUYPOAF-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988491 1137528027 /nfs/dbraw/zinc/52/80/27/1137528027.db2.gz RVTQEOJEBKKDKR-NHCUHLMSSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172060872 1137528751 /nfs/dbraw/zinc/52/87/51/1137528751.db2.gz CXGZIZVOEPEDMP-KOUNCHBCSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072350 1137529758 /nfs/dbraw/zinc/52/97/58/1137529758.db2.gz LFQQQJIFRDFEAN-OTNPHJDUSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072350 1137529759 /nfs/dbraw/zinc/52/97/59/1137529759.db2.gz LFQQQJIFRDFEAN-OTNPHJDUSA-N 2 1 338.499 3.656 20 0 EHADMP CCCOCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074079 1137529885 /nfs/dbraw/zinc/52/98/85/1137529885.db2.gz UAVQIBOLUSJODN-WKCHPHFGSA-N 2 1 330.516 3.978 20 0 EHADMP CO[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172076583 1137530493 /nfs/dbraw/zinc/53/04/93/1137530493.db2.gz GENKKBKDUYNAOV-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172076583 1137530495 /nfs/dbraw/zinc/53/04/95/1137530495.db2.gz GENKKBKDUYNAOV-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172076583 1137530496 /nfs/dbraw/zinc/53/04/96/1137530496.db2.gz GENKKBKDUYNAOV-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076583 1137530498 /nfs/dbraw/zinc/53/04/98/1137530498.db2.gz GENKKBKDUYNAOV-BQJUDKOJSA-N 2 1 328.500 3.683 20 0 EHADMP [NH3+]Cc1ncccc1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077732 1137531051 /nfs/dbraw/zinc/53/10/51/1137531051.db2.gz VQDYWQZZKOJNMC-LDLYASANSA-N 2 1 336.483 3.538 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC001172064978 1137532916 /nfs/dbraw/zinc/53/29/16/1137532916.db2.gz GOVZQLFDKHPAQQ-WTGUMLROSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069200 1137534131 /nfs/dbraw/zinc/53/41/31/1137534131.db2.gz NVMMYWNSECJDAE-QGJCJDORSA-N 2 1 342.527 3.807 20 0 EHADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069200 1137534132 /nfs/dbraw/zinc/53/41/32/1137534132.db2.gz NVMMYWNSECJDAE-QGJCJDORSA-N 2 1 342.527 3.807 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069200 1137534134 /nfs/dbraw/zinc/53/41/34/1137534134.db2.gz NVMMYWNSECJDAE-QGJCJDORSA-N 2 1 342.527 3.807 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069200 1137534135 /nfs/dbraw/zinc/53/41/35/1137534135.db2.gz NVMMYWNSECJDAE-QGJCJDORSA-N 2 1 342.527 3.807 20 0 EHADMP C[C@@H]1COCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068845 1137534468 /nfs/dbraw/zinc/53/44/68/1137534468.db2.gz LMAMPZXVOHELGL-MJUUVYJYSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1COCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068845 1137534470 /nfs/dbraw/zinc/53/44/70/1137534470.db2.gz LMAMPZXVOHELGL-MJUUVYJYSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1COCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068845 1137534472 /nfs/dbraw/zinc/53/44/72/1137534472.db2.gz LMAMPZXVOHELGL-MJUUVYJYSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1COCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068845 1137534474 /nfs/dbraw/zinc/53/44/74/1137534474.db2.gz LMAMPZXVOHELGL-MJUUVYJYSA-N 2 1 328.500 3.540 20 0 EHADMP CC[NH+](CC)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068366 1137534500 /nfs/dbraw/zinc/53/45/00/1137534500.db2.gz QIHGIMGRCWQXRY-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001172070178 1137534987 /nfs/dbraw/zinc/53/49/87/1137534987.db2.gz MVMQLNIQDAAFHE-BURNTYAHSA-N 2 1 328.500 3.587 20 0 EHADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172133268 1137536104 /nfs/dbraw/zinc/53/61/04/1137536104.db2.gz QSUXAWOSTXXSJC-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172133268 1137536105 /nfs/dbraw/zinc/53/61/05/1137536105.db2.gz QSUXAWOSTXXSJC-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108026 1137536818 /nfs/dbraw/zinc/53/68/18/1137536818.db2.gz NXROTIRTSFUTHW-DZJNRPSUSA-N 2 1 341.499 3.727 20 0 EHADMP COc1cccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)c1 ZINC001172109008 1137536820 /nfs/dbraw/zinc/53/68/20/1137536820.db2.gz BDJAESLHYPSMOS-LDLYASANSA-N 2 1 328.500 3.765 20 0 EHADMP COc1cccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001172109008 1137536821 /nfs/dbraw/zinc/53/68/21/1137536821.db2.gz BDJAESLHYPSMOS-LDLYASANSA-N 2 1 328.500 3.765 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001172109964 1137536851 /nfs/dbraw/zinc/53/68/51/1137536851.db2.gz HJCUCMPCYAUACR-OWZKRDHZSA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001172109964 1137536852 /nfs/dbraw/zinc/53/68/52/1137536852.db2.gz HJCUCMPCYAUACR-OWZKRDHZSA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)C2 ZINC001172110740 1137537111 /nfs/dbraw/zinc/53/71/11/1137537111.db2.gz OEKDSLNMAADRIR-ACDBMABISA-N 2 1 344.499 3.505 20 0 EHADMP COCCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001172110290 1137537191 /nfs/dbraw/zinc/53/71/91/1137537191.db2.gz JJUVSMXHDQHELH-OSYLJGHBSA-N 2 1 344.490 3.824 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001172110964 1137537294 /nfs/dbraw/zinc/53/72/94/1137537294.db2.gz MSDMXYCSPJNEPD-LDLYASANSA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001172110964 1137537296 /nfs/dbraw/zinc/53/72/96/1137537296.db2.gz MSDMXYCSPJNEPD-LDLYASANSA-N 2 1 346.490 3.522 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001172110116 1137537368 /nfs/dbraw/zinc/53/73/68/1137537368.db2.gz KRSCXHPBHZWARA-QKDCVEJESA-N 2 1 329.419 3.586 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001172110116 1137537369 /nfs/dbraw/zinc/53/73/69/1137537369.db2.gz KRSCXHPBHZWARA-QKDCVEJESA-N 2 1 329.419 3.586 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(Br)s1)C2 ZINC001172111170 1137537974 /nfs/dbraw/zinc/53/79/74/1137537974.db2.gz STQCRXNXOBNGCI-CLLJXQQHSA-N 2 1 343.334 3.658 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CSc2ccccc2C1 ZINC001172207148 1137541140 /nfs/dbraw/zinc/54/11/40/1137541140.db2.gz CETFMIUDQNUHBK-GOSISDBHSA-N 2 1 339.508 3.665 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001172255548 1137544859 /nfs/dbraw/zinc/54/48/59/1137544859.db2.gz VQNKXLHQQINFJC-HXUWFJFHSA-N 2 1 334.479 3.854 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001172255548 1137544861 /nfs/dbraw/zinc/54/48/61/1137544861.db2.gz VQNKXLHQQINFJC-HXUWFJFHSA-N 2 1 334.479 3.854 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001172256188 1137544987 /nfs/dbraw/zinc/54/49/87/1137544987.db2.gz RNJPXVLEWFQHAC-MRXNPFEDSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001172256188 1137544988 /nfs/dbraw/zinc/54/49/88/1137544988.db2.gz RNJPXVLEWFQHAC-MRXNPFEDSA-N 2 1 336.907 3.630 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172286362 1137547954 /nfs/dbraw/zinc/54/79/54/1137547954.db2.gz AXESNGUGVUQXGS-TTYHFUOFSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172286362 1137547955 /nfs/dbraw/zinc/54/79/55/1137547955.db2.gz AXESNGUGVUQXGS-TTYHFUOFSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172286362 1137547957 /nfs/dbraw/zinc/54/79/57/1137547957.db2.gz AXESNGUGVUQXGS-TTYHFUOFSA-N 2 1 328.500 3.664 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334537 1137551529 /nfs/dbraw/zinc/55/15/29/1137551529.db2.gz MZJVNHNEOXGMOY-HNJRGHQBSA-N 2 1 333.520 3.747 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334539 1137551694 /nfs/dbraw/zinc/55/16/94/1137551694.db2.gz MZJVNHNEOXGMOY-ZULIPRJHSA-N 2 1 333.520 3.747 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[C@H]1C ZINC001172363593 1137554893 /nfs/dbraw/zinc/55/48/93/1137554893.db2.gz LUTSWLSHFLIHKZ-JYBIWHBTSA-N 2 1 346.515 3.642 20 0 EHADMP COCC(C)(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000872105036 1137571254 /nfs/dbraw/zinc/57/12/54/1137571254.db2.gz ZFVDYLBXIFCQQX-OWZKRDHZSA-N 2 1 330.516 3.834 20 0 EHADMP c1c(C[N@H+]2CCSC[C@H]2c2ccccc2)sc2c1C[NH2+]CC2 ZINC000873202404 1137593997 /nfs/dbraw/zinc/59/39/97/1137593997.db2.gz QHBJXMSJXUPMGF-KRWDZBQOSA-N 2 1 330.522 3.684 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000873231315 1137594592 /nfs/dbraw/zinc/59/45/92/1137594592.db2.gz FMNUNDMNAILMOJ-NQIIRXRSSA-N 2 1 343.515 3.765 20 0 EHADMP CO[C@](C)(CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000876866186 1137664136 /nfs/dbraw/zinc/66/41/36/1137664136.db2.gz QMLQJDMSMLHSDM-OAQYLSRUSA-N 2 1 345.531 3.692 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876893327 1137664643 /nfs/dbraw/zinc/66/46/43/1137664643.db2.gz GIMIDXFEPNZYKW-AZUAARDMSA-N 2 1 329.532 3.532 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000877189205 1137672470 /nfs/dbraw/zinc/67/24/70/1137672470.db2.gz LJGFNMJMBBYTFP-IPPNXFFKSA-N 2 1 344.480 3.952 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000877189204 1137672527 /nfs/dbraw/zinc/67/25/27/1137672527.db2.gz LJGFNMJMBBYTFP-HGFRQNNFSA-N 2 1 344.480 3.952 20 0 EHADMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878287948 1137709946 /nfs/dbraw/zinc/70/99/46/1137709946.db2.gz KBWVTKWGRZCUFO-PMACEKPBSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878287948 1137709947 /nfs/dbraw/zinc/70/99/47/1137709947.db2.gz KBWVTKWGRZCUFO-PMACEKPBSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878287948 1137709948 /nfs/dbraw/zinc/70/99/48/1137709948.db2.gz KBWVTKWGRZCUFO-PMACEKPBSA-N 2 1 327.472 3.824 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879160050 1137739779 /nfs/dbraw/zinc/73/97/79/1137739779.db2.gz OMJOSUQSIXJZTE-UHFFFAOYSA-N 2 1 332.835 3.672 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001202611174 1137883440 /nfs/dbraw/zinc/88/34/40/1137883440.db2.gz FTVPYHQWTUQSBF-QUCCMNQESA-N 2 1 331.548 3.750 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001202611174 1137883441 /nfs/dbraw/zinc/88/34/41/1137883441.db2.gz FTVPYHQWTUQSBF-QUCCMNQESA-N 2 1 331.548 3.750 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001202611174 1137883442 /nfs/dbraw/zinc/88/34/42/1137883442.db2.gz FTVPYHQWTUQSBF-QUCCMNQESA-N 2 1 331.548 3.750 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCC2CCOCC2)C3)cc1 ZINC001202669192 1137915235 /nfs/dbraw/zinc/91/52/35/1137915235.db2.gz WJJFWFGFJNSLBL-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCC2CCOCC2)C3)cc1 ZINC001202669192 1137915236 /nfs/dbraw/zinc/91/52/36/1137915236.db2.gz WJJFWFGFJNSLBL-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCC2CCOCC2)C3)cc1 ZINC001202669192 1137915237 /nfs/dbraw/zinc/91/52/37/1137915237.db2.gz WJJFWFGFJNSLBL-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000885922546 1138024803 /nfs/dbraw/zinc/02/48/03/1138024803.db2.gz DNAMPVNEZUEVDC-OAHLLOKOSA-N 2 1 326.488 3.691 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C ZINC000885922546 1138024805 /nfs/dbraw/zinc/02/48/05/1138024805.db2.gz DNAMPVNEZUEVDC-OAHLLOKOSA-N 2 1 326.488 3.691 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1OC ZINC000886060172 1138036765 /nfs/dbraw/zinc/03/67/65/1138036765.db2.gz WPOYOAMMDBXEEK-IRXDYDNUSA-N 2 1 346.515 3.755 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1OC ZINC000886060172 1138036768 /nfs/dbraw/zinc/03/67/68/1138036768.db2.gz WPOYOAMMDBXEEK-IRXDYDNUSA-N 2 1 346.515 3.755 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886534903 1138091942 /nfs/dbraw/zinc/09/19/42/1138091942.db2.gz RAEGEBCFJLYDAW-HBMCJLEFSA-N 2 1 344.543 3.818 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000886534521 1138092173 /nfs/dbraw/zinc/09/21/73/1138092173.db2.gz KASZEMIQQBUUPN-FKVLARQCSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccncc1 ZINC000886536690 1138092534 /nfs/dbraw/zinc/09/25/34/1138092534.db2.gz NBKOJYHAQYFQEK-YKWDRNOUSA-N 2 1 335.495 3.828 20 0 EHADMP Cc1cnccc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886556654 1138095819 /nfs/dbraw/zinc/09/58/19/1138095819.db2.gz HESRXKMIVBJJJG-BVSLBCMMSA-N 2 1 335.495 3.575 20 0 EHADMP O[C@@H](CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000886650080 1138106979 /nfs/dbraw/zinc/10/69/79/1138106979.db2.gz PEDKATICLPFQSQ-QESAQDPVSA-N 2 1 342.527 3.570 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000092165615 1138225464 /nfs/dbraw/zinc/22/54/64/1138225464.db2.gz QPSUIZAHHMBMBC-UHFFFAOYSA-N 2 1 342.430 3.603 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000092165615 1138225465 /nfs/dbraw/zinc/22/54/65/1138225465.db2.gz QPSUIZAHHMBMBC-UHFFFAOYSA-N 2 1 342.430 3.603 20 0 EHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000093398778 1138237553 /nfs/dbraw/zinc/23/75/53/1138237553.db2.gz AEVGODZUKIJHBH-HNNXBMFYSA-N 2 1 333.501 3.715 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093693107 1138239835 /nfs/dbraw/zinc/23/98/35/1138239835.db2.gz ALNPNRZQAHEOCW-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093693107 1138239836 /nfs/dbraw/zinc/23/98/36/1138239836.db2.gz ALNPNRZQAHEOCW-IBGZPJMESA-N 2 1 340.515 3.653 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000122910864 1138264001 /nfs/dbraw/zinc/26/40/01/1138264001.db2.gz XKWUIFIBIIQCIF-RTWAWAEBSA-N 2 1 343.559 3.576 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CCN1C ZINC000123642548 1138272574 /nfs/dbraw/zinc/27/25/74/1138272574.db2.gz PSLBTIMUJUZDKD-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123642548 1138272576 /nfs/dbraw/zinc/27/25/76/1138272576.db2.gz PSLBTIMUJUZDKD-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000123642548 1138272579 /nfs/dbraw/zinc/27/25/79/1138272579.db2.gz PSLBTIMUJUZDKD-HIFRSBDPSA-N 2 1 330.394 3.542 20 0 EHADMP C[N@@H+](CCCn1ccnc1)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000130406531 1138452898 /nfs/dbraw/zinc/45/28/98/1138452898.db2.gz HDJSQOMGYOQAIX-UHFFFAOYSA-N 2 1 330.819 3.714 20 0 EHADMP CN(CCCn1ccnc1)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000130406531 1138452900 /nfs/dbraw/zinc/45/29/00/1138452900.db2.gz HDJSQOMGYOQAIX-UHFFFAOYSA-N 2 1 330.819 3.714 20 0 EHADMP c1ccc([C@@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000131472307 1138520493 /nfs/dbraw/zinc/52/04/93/1138520493.db2.gz BYIOPHDLDXGBBA-NHCUHLMSSA-N 2 1 342.527 3.947 20 0 EHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132856035 1138606813 /nfs/dbraw/zinc/60/68/13/1138606813.db2.gz QVBYQCXYLMJMSL-SJORKVTESA-N 2 1 342.483 3.893 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338198589 1138784604 /nfs/dbraw/zinc/78/46/04/1138784604.db2.gz SWTZVZVLIBILJQ-RXVVDRJESA-N 2 1 338.499 3.615 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338198589 1138784608 /nfs/dbraw/zinc/78/46/08/1138784608.db2.gz SWTZVZVLIBILJQ-RXVVDRJESA-N 2 1 338.499 3.615 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000136306133 1138794324 /nfs/dbraw/zinc/79/43/24/1138794324.db2.gz JIJOCTKSBBPOOI-UHFFFAOYSA-N 2 1 327.472 3.841 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000136306133 1138794326 /nfs/dbraw/zinc/79/43/26/1138794326.db2.gz JIJOCTKSBBPOOI-UHFFFAOYSA-N 2 1 327.472 3.841 20 0 EHADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816085 1138984812 /nfs/dbraw/zinc/98/48/12/1138984812.db2.gz OUOVJYWUDAQCRX-INIZCTEOSA-N 2 1 342.405 3.545 20 0 EHADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816085 1138984815 /nfs/dbraw/zinc/98/48/15/1138984815.db2.gz OUOVJYWUDAQCRX-INIZCTEOSA-N 2 1 342.405 3.545 20 0 EHADMP CC1(C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000180149459 1139814239 /nfs/dbraw/zinc/81/42/39/1139814239.db2.gz DPSVQSWFHQGBSI-DOVGVINFSA-N 2 1 340.511 3.585 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000182261412 1139961671 /nfs/dbraw/zinc/96/16/71/1139961671.db2.gz MOUKQMXFHFSGNP-FCHUYYIVSA-N 2 1 338.495 3.884 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000182430309 1139971954 /nfs/dbraw/zinc/97/19/54/1139971954.db2.gz RLEPSHKXUAVGPL-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000182430309 1139971958 /nfs/dbraw/zinc/97/19/58/1139971958.db2.gz RLEPSHKXUAVGPL-FXAWDEMLSA-N 2 1 340.515 3.893 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000183128008 1140015464 /nfs/dbraw/zinc/01/54/64/1140015464.db2.gz AYCGRFPNHSLLSC-BDTNDASRSA-N 2 1 335.495 3.514 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncc(C)c3)CC2)oc1C ZINC000184353999 1140097968 /nfs/dbraw/zinc/09/79/68/1140097968.db2.gz OHRCEIQXIIJUSG-INIZCTEOSA-N 2 1 342.487 3.558 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000186903775 1140227406 /nfs/dbraw/zinc/22/74/06/1140227406.db2.gz XAZVYCAVXKOSKM-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000186903775 1140227411 /nfs/dbraw/zinc/22/74/11/1140227411.db2.gz XAZVYCAVXKOSKM-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000186903775 1140227414 /nfs/dbraw/zinc/22/74/14/1140227414.db2.gz XAZVYCAVXKOSKM-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000186903775 1140227417 /nfs/dbraw/zinc/22/74/17/1140227417.db2.gz XAZVYCAVXKOSKM-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000186935714 1140229009 /nfs/dbraw/zinc/22/90/09/1140229009.db2.gz CCMGKPGIPLJNGL-UHFFFAOYSA-N 2 1 339.483 3.531 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000192747423 1140548977 /nfs/dbraw/zinc/54/89/77/1140548977.db2.gz IAVYMJOWGVLRRE-WIYYLYMNSA-N 2 1 347.522 3.625 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1cc(Cl)ccc1OC(F)F)C2 ZINC000192922641 1140556226 /nfs/dbraw/zinc/55/62/26/1140556226.db2.gz KNBDNHLETMLGSU-AGUYFDCRSA-N 2 1 330.806 3.656 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000195449783 1140639415 /nfs/dbraw/zinc/63/94/15/1140639415.db2.gz CACCESZGKMQSSM-LJQANCHMSA-N 2 1 344.886 3.505 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000266392856 1140680018 /nfs/dbraw/zinc/68/00/18/1140680018.db2.gz CKYZGNPPOJWSFC-QFIPXVFZSA-N 2 1 338.495 3.591 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1SC(F)F ZINC000268792949 1140994278 /nfs/dbraw/zinc/99/42/78/1140994278.db2.gz GWTCZUAKANYHKK-LLVKDONJSA-N 2 1 341.427 3.866 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000268841900 1141005946 /nfs/dbraw/zinc/00/59/46/1141005946.db2.gz NUYADFDOGQISPM-SJORKVTESA-N 2 1 342.458 3.897 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000268841900 1141005953 /nfs/dbraw/zinc/00/59/53/1141005953.db2.gz NUYADFDOGQISPM-SJORKVTESA-N 2 1 342.458 3.897 20 0 EHADMP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000268880596 1141015876 /nfs/dbraw/zinc/01/58/76/1141015876.db2.gz KCXJSLSBQASZPT-KRWDZBQOSA-N 2 1 330.472 3.816 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271055166 1141301950 /nfs/dbraw/zinc/30/19/50/1141301950.db2.gz YTVZSEXJYBEBOO-UHFFFAOYSA-N 2 1 326.488 3.690 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271438493 1141367160 /nfs/dbraw/zinc/36/71/60/1141367160.db2.gz CAFNBZBVUKLYJZ-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271438493 1141367165 /nfs/dbraw/zinc/36/71/65/1141367165.db2.gz CAFNBZBVUKLYJZ-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000339182215 1141520485 /nfs/dbraw/zinc/52/04/85/1141520485.db2.gz HDIWZBKUMGGUBS-INIZCTEOSA-N 2 1 327.472 3.759 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000339183536 1141521139 /nfs/dbraw/zinc/52/11/39/1141521139.db2.gz PEGMMNUQIWVZPR-MRXNPFEDSA-N 2 1 327.472 3.759 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000339183536 1141521143 /nfs/dbraw/zinc/52/11/43/1141521143.db2.gz PEGMMNUQIWVZPR-MRXNPFEDSA-N 2 1 327.472 3.759 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000349135309 1141643457 /nfs/dbraw/zinc/64/34/57/1141643457.db2.gz YHXNKQUIEAEBJJ-SFHVURJKSA-N 2 1 341.524 3.974 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000349135311 1141643563 /nfs/dbraw/zinc/64/35/63/1141643563.db2.gz YIBFOCHIKUULFD-IBGZPJMESA-N 2 1 338.499 3.549 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc2cc(Br)ccc2o1 ZINC000019959014 212090410 /nfs/dbraw/zinc/09/04/10/212090410.db2.gz KDGMXCMJQUKTRW-LLVKDONJSA-N 2 1 325.250 3.798 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275609560 564009672 /nfs/dbraw/zinc/00/96/72/564009672.db2.gz IMBJUVZIBWARJC-MRXNPFEDSA-N 2 1 333.526 3.657 20 0 EHADMP c1cc2c[nH+]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2[nH]1 ZINC001164628886 719060611 /nfs/dbraw/zinc/06/06/11/719060611.db2.gz UHFRPPMADIJZQN-ICSRJNTNSA-N 2 1 332.451 3.664 20 0 EHADMP CC1(C)CC2(CC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)CO1 ZINC000924649406 1032074848 /nfs/dbraw/zinc/07/48/48/1032074848.db2.gz OTVBKWXRSNDSPM-UHFFFAOYSA-N 2 1 342.527 3.631 20 0 EHADMP Clc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1Br ZINC000647482478 1014241582 /nfs/dbraw/zinc/24/15/82/1014241582.db2.gz IOTWYNQJRAURFX-UHFFFAOYSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1Br ZINC000647482478 1014241587 /nfs/dbraw/zinc/24/15/87/1014241587.db2.gz IOTWYNQJRAURFX-UHFFFAOYSA-N 2 1 343.696 3.819 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427535 1014406323 /nfs/dbraw/zinc/40/63/23/1014406323.db2.gz WRLMDRGHINMSEB-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427535 1014406331 /nfs/dbraw/zinc/40/63/31/1014406331.db2.gz WRLMDRGHINMSEB-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427535 1014406340 /nfs/dbraw/zinc/40/63/40/1014406340.db2.gz WRLMDRGHINMSEB-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000339427535 1014406345 /nfs/dbraw/zinc/40/63/45/1014406345.db2.gz WRLMDRGHINMSEB-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2[nH+]1 ZINC000041873022 1014424548 /nfs/dbraw/zinc/42/45/48/1014424548.db2.gz VRGPECUHFZJHJN-UHFFFAOYSA-N 2 1 347.462 3.988 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000579778666 1014468382 /nfs/dbraw/zinc/46/83/82/1014468382.db2.gz VFJHUBALXCYZMO-VXKWHMMOSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000579778666 1014468389 /nfs/dbraw/zinc/46/83/89/1014468389.db2.gz VFJHUBALXCYZMO-VXKWHMMOSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000579778666 1014468397 /nfs/dbraw/zinc/46/83/97/1014468397.db2.gz VFJHUBALXCYZMO-VXKWHMMOSA-N 2 1 342.527 3.647 20 0 EHADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526392 1032098666 /nfs/dbraw/zinc/09/86/66/1032098666.db2.gz AWTPHJGEEXTDNT-RHSMWYFYSA-N 2 1 328.460 3.768 20 0 EHADMP CCc1noc(CC)c1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740691 1014743637 /nfs/dbraw/zinc/74/36/37/1014743637.db2.gz AENVFSQLVXOMDF-WMZOPIPTSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274740691 1014743649 /nfs/dbraw/zinc/74/36/49/1014743649.db2.gz AENVFSQLVXOMDF-WMZOPIPTSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740691 1014743657 /nfs/dbraw/zinc/74/36/57/1014743657.db2.gz AENVFSQLVXOMDF-WMZOPIPTSA-N 2 1 341.499 3.800 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000339682736 1015511599 /nfs/dbraw/zinc/51/15/99/1015511599.db2.gz SESWPSXLIIYXMX-WMZOPIPTSA-N 2 1 336.545 3.686 20 0 EHADMP CCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000274894726 1015593669 /nfs/dbraw/zinc/59/36/69/1015593669.db2.gz JZRBIIVHYOBGEF-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1 ZINC000183143872 1032136456 /nfs/dbraw/zinc/13/64/56/1032136456.db2.gz UGWLSODDRORQQD-MRXNPFEDSA-N 2 1 348.450 3.778 20 0 EHADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000261439302 1016045212 /nfs/dbraw/zinc/04/52/12/1016045212.db2.gz MDOHVHLIKCYXOT-HSZRJFAPSA-N 2 1 349.522 3.565 20 0 EHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000261439302 1016045225 /nfs/dbraw/zinc/04/52/25/1016045225.db2.gz MDOHVHLIKCYXOT-HSZRJFAPSA-N 2 1 349.522 3.565 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001209391047 1016143520 /nfs/dbraw/zinc/14/35/20/1016143520.db2.gz QKGDCBHCKVQOSU-KOUHRCEDSA-N 2 1 330.516 3.644 20 0 EHADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001209391047 1016143524 /nfs/dbraw/zinc/14/35/24/1016143524.db2.gz QKGDCBHCKVQOSU-KOUHRCEDSA-N 2 1 330.516 3.644 20 0 EHADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001209391047 1016143531 /nfs/dbraw/zinc/14/35/31/1016143531.db2.gz QKGDCBHCKVQOSU-KOUHRCEDSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000610250485 1016253341 /nfs/dbraw/zinc/25/33/41/1016253341.db2.gz SZKAJJHXDUYAGQ-APWZRJJASA-N 2 1 335.923 3.501 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000118946849 1016406303 /nfs/dbraw/zinc/40/63/03/1016406303.db2.gz KGAPXNOICPHMJA-GHOZHQTGSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2F)s1)C[NH+]1CCCC1 ZINC000449086582 1032148689 /nfs/dbraw/zinc/14/86/89/1032148689.db2.gz CSIKDWQDONAKIF-CQSZACIVSA-N 2 1 333.476 3.771 20 0 EHADMP COCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615857 1032173532 /nfs/dbraw/zinc/17/35/32/1032173532.db2.gz BIVDTYGUSFRWMQ-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615857 1032173542 /nfs/dbraw/zinc/17/35/42/1032173542.db2.gz BIVDTYGUSFRWMQ-GCJKJVERSA-N 2 1 338.495 3.976 20 0 EHADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000183572116 1032180918 /nfs/dbraw/zinc/18/09/18/1032180918.db2.gz COLJAEIGVCMJOR-UHFFFAOYSA-N 2 1 335.439 3.634 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449091789 1032199276 /nfs/dbraw/zinc/19/92/76/1032199276.db2.gz KSQVGECTDLNHDF-IBGZPJMESA-N 2 1 348.918 3.712 20 0 EHADMP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000459500115 1032200277 /nfs/dbraw/zinc/20/02/77/1032200277.db2.gz BQYZCYPKAVZZMS-UHFFFAOYSA-N 2 1 344.528 3.642 20 0 EHADMP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000459500115 1032200289 /nfs/dbraw/zinc/20/02/89/1032200289.db2.gz BQYZCYPKAVZZMS-UHFFFAOYSA-N 2 1 344.528 3.642 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379648668 1032224501 /nfs/dbraw/zinc/22/45/01/1032224501.db2.gz MSAPFQNOKREKLV-UYAOXDASSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379648668 1032224515 /nfs/dbraw/zinc/22/45/15/1032224515.db2.gz MSAPFQNOKREKLV-UYAOXDASSA-N 2 1 330.516 3.714 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2ccn(C(C)C)n2)CC1)CC1CC1 ZINC000536737066 1032233938 /nfs/dbraw/zinc/23/39/38/1032233938.db2.gz OSTNJLOTTMRHQE-UHFFFAOYSA-N 2 1 332.536 3.798 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccn(C(C)C)n2)CC1)CC1CC1 ZINC000536737066 1032233947 /nfs/dbraw/zinc/23/39/47/1032233947.db2.gz OSTNJLOTTMRHQE-UHFFFAOYSA-N 2 1 332.536 3.798 20 0 EHADMP OCCC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525167 1032245589 /nfs/dbraw/zinc/24/55/89/1032245589.db2.gz BUBBPNQVKQAAJF-OAQYLSRUSA-N 2 1 330.516 3.526 20 0 EHADMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449145561 1032247952 /nfs/dbraw/zinc/24/79/52/1032247952.db2.gz YAJLYWAEKIJWIV-UGKGYDQZSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000536827475 1032306808 /nfs/dbraw/zinc/30/68/08/1032306808.db2.gz PFENDIOVCBBQBM-HBFSDRIKSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449234781 1032331050 /nfs/dbraw/zinc/33/10/50/1032331050.db2.gz RCRJVZCVGZKOMJ-SJORKVTESA-N 2 1 330.520 3.741 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449234781 1032331056 /nfs/dbraw/zinc/33/10/56/1032331056.db2.gz RCRJVZCVGZKOMJ-SJORKVTESA-N 2 1 330.520 3.741 20 0 EHADMP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449219516 1032336160 /nfs/dbraw/zinc/33/61/60/1032336160.db2.gz NNMBKYVWCPLKQC-CVEARBPZSA-N 2 1 339.568 3.558 20 0 EHADMP COc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000892379282 1032371218 /nfs/dbraw/zinc/37/12/18/1032371218.db2.gz CHSYYQJSYRKIPB-UHFFFAOYSA-N 2 1 343.471 3.678 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305340 1032425186 /nfs/dbraw/zinc/42/51/86/1032425186.db2.gz RZOXLJGGFALSIJ-PKOBYXMFSA-N 2 1 349.950 3.592 20 0 EHADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000459729884 1032435147 /nfs/dbraw/zinc/43/51/47/1032435147.db2.gz JLANGCJEZFLORN-CQSZACIVSA-N 2 1 342.430 3.508 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329567 1032441158 /nfs/dbraw/zinc/44/11/58/1032441158.db2.gz ISTCWVIVZJVYLQ-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329567 1032441162 /nfs/dbraw/zinc/44/11/62/1032441162.db2.gz ISTCWVIVZJVYLQ-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329567 1032441166 /nfs/dbraw/zinc/44/11/66/1032441166.db2.gz ISTCWVIVZJVYLQ-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329567 1032441168 /nfs/dbraw/zinc/44/11/68/1032441168.db2.gz ISTCWVIVZJVYLQ-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP Cc1cc(C)c([C@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000537032063 1032493278 /nfs/dbraw/zinc/49/32/78/1032493278.db2.gz VADJZKXOLOCBFU-IBGZPJMESA-N 2 1 331.548 3.631 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)ccc1OCC(C)C ZINC000537068642 1032506053 /nfs/dbraw/zinc/50/60/53/1032506053.db2.gz LAHUSWSRIIANHM-FUHWJXTLSA-N 2 1 334.504 3.865 20 0 EHADMP Clc1ccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000089603067 1032531712 /nfs/dbraw/zinc/53/17/12/1032531712.db2.gz HWDNNIBXXGEYSM-OAHLLOKOSA-N 2 1 331.847 3.553 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090707494 1032592459 /nfs/dbraw/zinc/59/24/59/1032592459.db2.gz AHOBQQQNCSFVRT-FTWXPCQCSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090707494 1032592471 /nfs/dbraw/zinc/59/24/71/1032592471.db2.gz AHOBQQQNCSFVRT-FTWXPCQCSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090707492 1032592804 /nfs/dbraw/zinc/59/28/04/1032592804.db2.gz AHOBQQQNCSFVRT-DZVQBONVSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090707492 1032592813 /nfs/dbraw/zinc/59/28/13/1032592813.db2.gz AHOBQQQNCSFVRT-DZVQBONVSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655691098 1017398240 /nfs/dbraw/zinc/39/82/40/1017398240.db2.gz PFEJLCPOOWDIAQ-XLIONFOSSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655691098 1017398249 /nfs/dbraw/zinc/39/82/49/1017398249.db2.gz PFEJLCPOOWDIAQ-XLIONFOSSA-N 2 1 338.499 3.882 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472675872 1017404149 /nfs/dbraw/zinc/40/41/49/1017404149.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 3 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472675872 1017404161 /nfs/dbraw/zinc/40/41/61/1017404161.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 3 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472675872 1017404168 /nfs/dbraw/zinc/40/41/68/1017404168.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 3 1 343.559 3.705 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472675872 1017404176 /nfs/dbraw/zinc/40/41/76/1017404176.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472675872 1017404184 /nfs/dbraw/zinc/40/41/84/1017404184.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472675872 1017404192 /nfs/dbraw/zinc/40/41/92/1017404192.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472675872 1017404202 /nfs/dbraw/zinc/40/42/02/1017404202.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CN1CCCC[C@@H]1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000472675872 1017404210 /nfs/dbraw/zinc/40/42/10/1017404210.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP CN1CCCC[C@@H]1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000472675872 1017404220 /nfs/dbraw/zinc/40/42/20/1017404220.db2.gz CZMLVBMRMUEECR-JOCHJYFZSA-N 2 1 343.559 3.705 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655700558 1017417782 /nfs/dbraw/zinc/41/77/82/1017417782.db2.gz MRMIIFYDKKHMQB-RXVVDRJESA-N 2 1 344.543 3.976 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OCC ZINC000415053138 1017462130 /nfs/dbraw/zinc/46/21/30/1017462130.db2.gz ODUUHKRXRXSEGW-RTBURBONSA-N 2 1 346.515 3.838 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccncc1 ZINC000163698204 1017464533 /nfs/dbraw/zinc/46/45/33/1017464533.db2.gz UOZIFTHQBBSYSL-OAQYLSRUSA-N 2 1 341.474 3.969 20 0 EHADMP CC(C)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655737170 1017494746 /nfs/dbraw/zinc/49/47/46/1017494746.db2.gz WJAIGYQBYXODMA-XMSQKQJNSA-N 2 1 344.543 3.974 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655735300 1017500655 /nfs/dbraw/zinc/50/06/55/1017500655.db2.gz GMEIIVKKGXKZAW-PKOBYXMFSA-N 2 1 342.527 3.685 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071564 1017514504 /nfs/dbraw/zinc/51/45/04/1017514504.db2.gz WOLFRCAHEHJBJF-DNVCBOLYSA-N 2 1 331.504 3.634 20 0 EHADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000415084021 1017527764 /nfs/dbraw/zinc/52/77/64/1017527764.db2.gz OOWTXTNRXOMZLT-GOEBONIOSA-N 2 1 329.419 3.633 20 0 EHADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415085745 1017531341 /nfs/dbraw/zinc/53/13/41/1017531341.db2.gz RAKIXFBUCHBVJT-FGZHOGPDSA-N 3 1 343.559 3.827 20 0 EHADMP COCc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1F ZINC000415089197 1017537293 /nfs/dbraw/zinc/53/72/93/1017537293.db2.gz YLWNVDBLZVIOOQ-QUCCMNQESA-N 2 1 328.431 3.555 20 0 EHADMP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)c1 ZINC000415120201 1017581755 /nfs/dbraw/zinc/58/17/55/1017581755.db2.gz KXOYJSUNPIVAKZ-FGZHOGPDSA-N 2 1 346.478 3.514 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000655791912 1017619684 /nfs/dbraw/zinc/61/96/84/1017619684.db2.gz HGEKETGSVASWCY-UHFFFAOYSA-N 2 1 346.906 3.798 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000377394681 1017746293 /nfs/dbraw/zinc/74/62/93/1017746293.db2.gz VAFAKTVPJTZFKK-BFIYSBSQSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000655848277 1017764095 /nfs/dbraw/zinc/76/40/95/1017764095.db2.gz CQCRFQWYEJOELL-BVOGOJNSSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000655848277 1017764111 /nfs/dbraw/zinc/76/41/11/1017764111.db2.gz CQCRFQWYEJOELL-BVOGOJNSSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000275630057 1017811936 /nfs/dbraw/zinc/81/19/36/1017811936.db2.gz SDERBWZAAAAQSE-STQMWFEESA-N 2 1 334.261 3.559 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)CC[NH2+]1 ZINC001210495700 1018088756 /nfs/dbraw/zinc/08/87/56/1018088756.db2.gz AONNNOALYRPVAZ-CQSZACIVSA-N 2 1 349.400 3.951 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)CC[NH2+]1 ZINC001210495700 1018088763 /nfs/dbraw/zinc/08/87/63/1018088763.db2.gz AONNNOALYRPVAZ-CQSZACIVSA-N 2 1 349.400 3.951 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073276 1018600119 /nfs/dbraw/zinc/60/01/19/1018600119.db2.gz GHDXGNKMNRLRPK-UXHICEINSA-N 2 1 348.490 3.949 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073276 1018600124 /nfs/dbraw/zinc/60/01/24/1018600124.db2.gz GHDXGNKMNRLRPK-UXHICEINSA-N 2 1 348.490 3.949 20 0 EHADMP Cc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000664102783 1018763121 /nfs/dbraw/zinc/76/31/21/1018763121.db2.gz ZUDQIBRKWHNMHM-UHFFFAOYSA-N 2 1 333.863 3.910 20 0 EHADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC001167382255 1019096281 /nfs/dbraw/zinc/09/62/81/1019096281.db2.gz WUHAUQWXYBMLLB-JOCHJYFZSA-N 2 1 340.511 3.841 20 0 EHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047978614 1019790987 /nfs/dbraw/zinc/79/09/87/1019790987.db2.gz JBOCOYHDAWGZEJ-UHFFFAOYSA-N 2 1 345.531 3.550 20 0 EHADMP CCCn1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513539949 1019822929 /nfs/dbraw/zinc/82/29/29/1019822929.db2.gz SYUUFUATTCRCIZ-QUCCMNQESA-N 2 1 340.515 3.683 20 0 EHADMP CC(C)c1[nH+]c(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccn21 ZINC000656277763 1019892334 /nfs/dbraw/zinc/89/23/34/1019892334.db2.gz NRZQAFCIQQNVJF-FUHWJXTLSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1[nH+]c(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccn21 ZINC000656277763 1019892347 /nfs/dbraw/zinc/89/23/47/1019892347.db2.gz NRZQAFCIQQNVJF-FUHWJXTLSA-N 2 1 326.488 3.564 20 0 EHADMP COc1ccc(C)cc1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434028199 1019903548 /nfs/dbraw/zinc/90/35/48/1019903548.db2.gz QSSXMKRUKSXXNK-RXVVDRJESA-N 2 1 339.483 3.523 20 0 EHADMP COc1ccc(C)cc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434028199 1019903560 /nfs/dbraw/zinc/90/35/60/1019903560.db2.gz QSSXMKRUKSXXNK-RXVVDRJESA-N 2 1 339.483 3.523 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000684112031 1020240879 /nfs/dbraw/zinc/24/08/79/1020240879.db2.gz JUGNDYVZTYGVJZ-KZNAEPCWSA-N 2 1 332.536 3.546 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000684112031 1020240886 /nfs/dbraw/zinc/24/08/86/1020240886.db2.gz JUGNDYVZTYGVJZ-KZNAEPCWSA-N 2 1 332.536 3.546 20 0 EHADMP O[C@@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000345705803 1020461175 /nfs/dbraw/zinc/46/11/75/1020461175.db2.gz BAYXSQFDURWDRA-OALUTQOASA-N 2 1 336.907 3.618 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038700 1020674608 /nfs/dbraw/zinc/67/46/08/1020674608.db2.gz YFAQFFBHWRWLGV-VQIMIIECSA-N 2 1 346.515 3.804 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038700 1020674617 /nfs/dbraw/zinc/67/46/17/1020674617.db2.gz YFAQFFBHWRWLGV-VQIMIIECSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038700 1020674625 /nfs/dbraw/zinc/67/46/25/1020674625.db2.gz YFAQFFBHWRWLGV-VQIMIIECSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000501038700 1020674636 /nfs/dbraw/zinc/67/46/36/1020674636.db2.gz YFAQFFBHWRWLGV-VQIMIIECSA-N 2 1 346.515 3.804 20 0 EHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000501111106 1020711570 /nfs/dbraw/zinc/71/15/70/1020711570.db2.gz LUIBELNUJDQZHR-QFIPXVFZSA-N 2 1 343.559 3.802 20 0 EHADMP CCc1noc(C)c1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000276196057 1020877465 /nfs/dbraw/zinc/87/74/65/1020877465.db2.gz IUWTXYBBYSXIAM-HOTGVXAUSA-N 2 1 341.499 3.792 20 0 EHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cccc(Cl)c1 ZINC000157297474 1021149449 /nfs/dbraw/zinc/14/94/49/1021149449.db2.gz UIZSCNCQJGNWSI-SFHVURJKSA-N 2 1 349.906 3.619 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507462240 1021278352 /nfs/dbraw/zinc/27/83/52/1021278352.db2.gz OKPHINPYWHIZIG-MMKMLUHNSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789608 1021349176 /nfs/dbraw/zinc/34/91/76/1021349176.db2.gz SKHSDCSMSVOKMO-UHFFFAOYSA-N 2 1 332.879 3.504 20 0 EHADMP c1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167964634 1021489141 /nfs/dbraw/zinc/48/91/41/1021489141.db2.gz VFCWDGGSZKGFNM-SEJPIABJSA-N 2 1 340.511 3.687 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000390924330 1021564693 /nfs/dbraw/zinc/56/46/93/1021564693.db2.gz YMHNXGZFPTXBEP-IBGZPJMESA-N 2 1 330.516 3.693 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000390924330 1021564709 /nfs/dbraw/zinc/56/47/09/1021564709.db2.gz YMHNXGZFPTXBEP-IBGZPJMESA-N 2 1 330.516 3.693 20 0 EHADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000415009093 1021974442 /nfs/dbraw/zinc/97/44/42/1021974442.db2.gz FIUMNBANEVLKOZ-UONOGXRCSA-N 2 1 348.874 3.753 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000276652127 1022052212 /nfs/dbraw/zinc/05/22/12/1022052212.db2.gz MLXGFFPAYLEJQI-NVXWUHKLSA-N 2 1 337.389 3.907 20 0 EHADMP CC(C)[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(F)cc1F ZINC000425894866 1022122463 /nfs/dbraw/zinc/12/24/63/1022122463.db2.gz HCAVPOXEEPQJMD-IBGZPJMESA-N 2 1 349.425 3.907 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000164986185 1022132236 /nfs/dbraw/zinc/13/22/36/1022132236.db2.gz RZKVCEOCFSGHTK-MPGHIAIKSA-N 2 1 332.517 3.698 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000164986185 1022132242 /nfs/dbraw/zinc/13/22/42/1022132242.db2.gz RZKVCEOCFSGHTK-MPGHIAIKSA-N 2 1 332.517 3.698 20 0 EHADMP CCCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000550391071 1022409296 /nfs/dbraw/zinc/40/92/96/1022409296.db2.gz NVTPXWPDJDCQNM-WCRBZPEASA-N 2 1 330.516 3.713 20 0 EHADMP CCCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000550391071 1022409305 /nfs/dbraw/zinc/40/93/05/1022409305.db2.gz NVTPXWPDJDCQNM-WCRBZPEASA-N 2 1 330.516 3.713 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C2 ZINC000425949464 1022409580 /nfs/dbraw/zinc/40/95/80/1022409580.db2.gz IFQPNKBNZVLMIG-MJGOQNOKSA-N 2 1 330.516 3.654 20 0 EHADMP Cc1ccccc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995351 1022420833 /nfs/dbraw/zinc/42/08/33/1022420833.db2.gz CAGFBJNQLIBCHB-JGUMPVPUSA-N 2 1 340.511 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995351 1022420845 /nfs/dbraw/zinc/42/08/45/1022420845.db2.gz CAGFBJNQLIBCHB-JGUMPVPUSA-N 2 1 340.511 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995351 1022420853 /nfs/dbraw/zinc/42/08/53/1022420853.db2.gz CAGFBJNQLIBCHB-JGUMPVPUSA-N 2 1 340.511 3.854 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425953921 1022441231 /nfs/dbraw/zinc/44/12/31/1022441231.db2.gz XSWOFPPLVDVUEY-GJZGRUSLSA-N 2 1 331.529 3.891 20 0 EHADMP CC1CCC([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001167995677 1022465336 /nfs/dbraw/zinc/46/53/36/1022465336.db2.gz NYNGUNCLCGTLBZ-SOMTWMKYSA-N 2 1 345.575 3.588 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000129849630 1022514672 /nfs/dbraw/zinc/51/46/72/1022514672.db2.gz JWHBBLXEQXEDDB-SGMGOOAPSA-N 2 1 341.293 3.591 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000129849630 1022514687 /nfs/dbraw/zinc/51/46/87/1022514687.db2.gz JWHBBLXEQXEDDB-SGMGOOAPSA-N 2 1 341.293 3.591 20 0 EHADMP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401046145 1022569700 /nfs/dbraw/zinc/56/97/00/1022569700.db2.gz MGKZGIZPUJPKKN-TZIWHRDSSA-N 2 1 337.511 3.741 20 0 EHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000430741493 1022642389 /nfs/dbraw/zinc/64/23/89/1022642389.db2.gz JDEAQIVMMANEDC-XWDORNJCSA-N 2 1 330.516 3.558 20 0 EHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000125549628 1022650463 /nfs/dbraw/zinc/65/04/63/1022650463.db2.gz NDQZLRJVFRYMQZ-CQSZACIVSA-N 2 1 333.357 3.704 20 0 EHADMP Cc1ccc2cc([C@@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)oc2c1 ZINC000426036222 1022718944 /nfs/dbraw/zinc/71/89/44/1022718944.db2.gz PLKAVCVBYKXCKO-QGZVFWFLSA-N 2 1 343.515 3.665 20 0 EHADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000414933531 1022737962 /nfs/dbraw/zinc/73/79/62/1022737962.db2.gz UIANBRHNHSRGIG-SNVBAGLBSA-N 2 1 325.275 3.614 20 0 EHADMP [NH3+]Cc1cccc(-c2cncn2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167977797 1022740737 /nfs/dbraw/zinc/74/07/37/1022740737.db2.gz FKUPYMPXAXDVGA-YOFSQIOKSA-N 2 1 336.483 3.587 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC(C)C ZINC000341641289 1022754934 /nfs/dbraw/zinc/75/49/34/1022754934.db2.gz OFEJTABGQCMRKA-OAHLLOKOSA-N 2 1 331.460 3.728 20 0 EHADMP Cc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)oc2c1 ZINC000426070757 1022832892 /nfs/dbraw/zinc/83/28/92/1022832892.db2.gz PORVAZVYAPMWDD-IAGOWNOFSA-N 2 1 342.483 3.893 20 0 EHADMP COc1cccc(-c2csc(C[NH2+]CCCC[N@@H+](C)C3CC3)n2)c1 ZINC000894806570 1022938579 /nfs/dbraw/zinc/93/85/79/1022938579.db2.gz FTAFUUPQICINDD-UHFFFAOYSA-N 2 1 345.512 3.783 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430961515 1022980073 /nfs/dbraw/zinc/98/00/73/1022980073.db2.gz NZNLYRKEOAJLEW-GUXCAODWSA-N 2 1 337.467 3.669 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccccc1 ZINC000414950354 1022985313 /nfs/dbraw/zinc/98/53/13/1022985313.db2.gz ONCOAKPIKZLYTM-APWZRJJASA-N 2 1 340.467 3.504 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189266713 1023004110 /nfs/dbraw/zinc/00/41/10/1023004110.db2.gz MVVVGGNLDCZRHO-IFMALSPDSA-N 2 1 344.543 3.877 20 0 EHADMP COc1ccccc1[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984272 1023080809 /nfs/dbraw/zinc/08/08/09/1023080809.db2.gz MHNNDYWQOAAIDM-WRURNZQNSA-N 2 1 340.511 3.890 20 0 EHADMP COc1ccccc1[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984272 1023080818 /nfs/dbraw/zinc/08/08/18/1023080818.db2.gz MHNNDYWQOAAIDM-WRURNZQNSA-N 2 1 340.511 3.890 20 0 EHADMP COc1ccccc1[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984272 1023080827 /nfs/dbraw/zinc/08/08/27/1023080827.db2.gz MHNNDYWQOAAIDM-WRURNZQNSA-N 2 1 340.511 3.890 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000060816751 1023125564 /nfs/dbraw/zinc/12/55/64/1023125564.db2.gz IDMKPTKLNWQVKY-UHFFFAOYSA-N 2 1 326.484 3.943 20 0 EHADMP CCCC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000507250676 1023208390 /nfs/dbraw/zinc/20/83/90/1023208390.db2.gz BRNOOYOLGPXXII-UHFFFAOYSA-N 2 1 329.532 3.982 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449759257 1033153511 /nfs/dbraw/zinc/15/35/11/1033153511.db2.gz JFQGXWYJKMQPRZ-OYNPSCLESA-N 2 1 330.516 3.977 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449759257 1033153521 /nfs/dbraw/zinc/15/35/21/1033153521.db2.gz JFQGXWYJKMQPRZ-OYNPSCLESA-N 2 1 330.516 3.977 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000926317178 1023900584 /nfs/dbraw/zinc/90/05/84/1023900584.db2.gz OQMDZXDPUKLXTQ-SFHVURJKSA-N 2 1 342.886 3.613 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000657182866 1023916795 /nfs/dbraw/zinc/91/67/95/1023916795.db2.gz UHQGKAOVSOCUFS-LBPRGKRZSA-N 2 1 332.822 3.763 20 0 EHADMP CC(C)CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451646 1033172976 /nfs/dbraw/zinc/17/29/76/1033172976.db2.gz GFUOIHUOKKOBQC-FQEVSTJZSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451646 1033172988 /nfs/dbraw/zinc/17/29/88/1033172988.db2.gz GFUOIHUOKKOBQC-FQEVSTJZSA-N 2 1 330.516 3.836 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000277175898 1024018623 /nfs/dbraw/zinc/01/86/23/1024018623.db2.gz KYUGAPKVJGNDSL-SFHVURJKSA-N 2 1 347.503 3.950 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000277175898 1024018639 /nfs/dbraw/zinc/01/86/39/1024018639.db2.gz KYUGAPKVJGNDSL-SFHVURJKSA-N 2 1 347.503 3.950 20 0 EHADMP Brc1ccc2c(NCC[NH+]3CCCCC3)cc[nH+]c2c1 ZINC000522569108 1024080773 /nfs/dbraw/zinc/08/07/73/1024080773.db2.gz XAGNHMPNGAVZFA-UHFFFAOYSA-N 2 1 334.261 3.895 20 0 EHADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000151382199 1024109727 /nfs/dbraw/zinc/10/97/27/1024109727.db2.gz JQKVFIXNXQGNBY-IBGZPJMESA-N 2 1 338.923 3.864 20 0 EHADMP COc1ccccc1C[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003367 1024116406 /nfs/dbraw/zinc/11/64/06/1024116406.db2.gz ODDULKZJPSDTTG-XVSDAANHSA-N 2 1 342.527 3.963 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000514087958 1024122257 /nfs/dbraw/zinc/12/22/57/1024122257.db2.gz JLYXGUHZBQMHNY-DOTOQJQBSA-N 2 1 334.504 3.927 20 0 EHADMP CCC[C@H](C(=O)OCC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000522301793 1024178720 /nfs/dbraw/zinc/17/87/20/1024178720.db2.gz KXGJNBPQIZVFIN-HXUWFJFHSA-N 2 1 346.515 3.562 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000346151358 1024452698 /nfs/dbraw/zinc/45/26/98/1024452698.db2.gz YQWKYZZMMBOBMS-LJQANCHMSA-N 2 1 332.451 3.640 20 0 EHADMP Cc1ccc(CCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000474161563 1024473262 /nfs/dbraw/zinc/47/32/62/1024473262.db2.gz VPHGQSXFSXEGAH-PZJWPPBQSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000474161563 1024473267 /nfs/dbraw/zinc/47/32/67/1024473267.db2.gz VPHGQSXFSXEGAH-PZJWPPBQSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000474161563 1024473272 /nfs/dbraw/zinc/47/32/72/1024473272.db2.gz VPHGQSXFSXEGAH-PZJWPPBQSA-N 2 1 329.532 3.909 20 0 EHADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346219737 1024562800 /nfs/dbraw/zinc/56/28/00/1024562800.db2.gz NDYMXTRTUBYCAL-QGZVFWFLSA-N 2 1 348.450 3.574 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc3ccccc23)C[C@H](C)O1 ZINC000067452767 1024572481 /nfs/dbraw/zinc/57/24/81/1024572481.db2.gz IYQMWVRPXPVABE-IYBDPMFKSA-N 2 1 332.513 3.880 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000487439189 1024603322 /nfs/dbraw/zinc/60/33/22/1024603322.db2.gz MNSSMNRVPRAGRC-UXHICEINSA-N 2 1 345.531 3.521 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435126419 1024636805 /nfs/dbraw/zinc/63/68/05/1024636805.db2.gz MQRRRJFMBFAEFA-UHFFFAOYSA-N 2 1 330.476 3.614 20 0 EHADMP Cc1ccoc1C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000430137647 1024666866 /nfs/dbraw/zinc/66/68/66/1024666866.db2.gz WPSLCRNTJJAOBF-UHFFFAOYSA-N 2 1 341.499 3.750 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123340 1024669552 /nfs/dbraw/zinc/66/95/52/1024669552.db2.gz JMZCZWIJSPVANX-LJQANCHMSA-N 2 1 332.394 3.752 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123340 1024669556 /nfs/dbraw/zinc/66/95/56/1024669556.db2.gz JMZCZWIJSPVANX-LJQANCHMSA-N 2 1 332.394 3.752 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123340 1024669558 /nfs/dbraw/zinc/66/95/58/1024669558.db2.gz JMZCZWIJSPVANX-LJQANCHMSA-N 2 1 332.394 3.752 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4cccc(F)c4F)o3)C2)C1 ZINC000430123340 1024669563 /nfs/dbraw/zinc/66/95/63/1024669563.db2.gz JMZCZWIJSPVANX-LJQANCHMSA-N 2 1 332.394 3.752 20 0 EHADMP CCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC1CC1 ZINC000435234399 1024717069 /nfs/dbraw/zinc/71/70/69/1024717069.db2.gz GKFXVUFJGLBMSL-UHFFFAOYSA-N 2 1 329.532 3.839 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1conc1Cc1ccccc1 ZINC000895682109 1024731518 /nfs/dbraw/zinc/73/15/18/1024731518.db2.gz AOGHCPXXSDXINP-UHFFFAOYSA-N 2 1 341.499 3.963 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(-c2ccncc2)s1 ZINC000895684033 1024732711 /nfs/dbraw/zinc/73/27/11/1024732711.db2.gz ZZIKKMXMMRUDPD-UHFFFAOYSA-N 2 1 344.528 3.903 20 0 EHADMP Cc1nc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cs1 ZINC000514844318 1024784180 /nfs/dbraw/zinc/78/41/80/1024784180.db2.gz SGLMWWAMTMCGJQ-UHFFFAOYSA-N 2 1 327.497 3.835 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)s1 ZINC000352812794 1024806607 /nfs/dbraw/zinc/80/66/07/1024806607.db2.gz IFKBRAYVGWCQKI-UHFFFAOYSA-N 2 1 344.311 3.844 20 0 EHADMP Cc1ccc(OCc2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)cc1 ZINC000435368915 1024854312 /nfs/dbraw/zinc/85/43/12/1024854312.db2.gz JTSZICXFNFPGEJ-OAHLLOKOSA-N 2 1 345.512 3.590 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C[C@H]12 ZINC000435386763 1024868461 /nfs/dbraw/zinc/86/84/61/1024868461.db2.gz YFLGXTCBXIDIRC-VHDGCEQUSA-N 2 1 339.464 3.725 20 0 EHADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435438790 1024926482 /nfs/dbraw/zinc/92/64/82/1024926482.db2.gz RLCPSWSTPZQCLD-OAHLLOKOSA-N 2 1 340.895 3.711 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424309 1024942187 /nfs/dbraw/zinc/94/21/87/1024942187.db2.gz BPKFKKRZMHWMQN-IVMMDQJWSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424309 1024942202 /nfs/dbraw/zinc/94/22/02/1024942202.db2.gz BPKFKKRZMHWMQN-IVMMDQJWSA-N 2 1 342.314 3.502 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346610737 1024951321 /nfs/dbraw/zinc/95/13/21/1024951321.db2.gz QPGLFYQVAJIBBT-MGPUTAFESA-N 2 1 338.430 3.741 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011364 1024983989 /nfs/dbraw/zinc/98/39/89/1024983989.db2.gz OIYMZPSOACEQMT-HATOLVCRSA-N 2 1 343.559 3.892 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281388058 1024989619 /nfs/dbraw/zinc/98/96/19/1024989619.db2.gz XUOQFUGCNXXTLU-FQEVSTJZSA-N 2 1 327.447 3.913 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000657311727 1024994734 /nfs/dbraw/zinc/99/47/34/1024994734.db2.gz SMIPRDBIBAQWFG-SFHVURJKSA-N 2 1 340.515 3.957 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000657311727 1024994740 /nfs/dbraw/zinc/99/47/40/1024994740.db2.gz SMIPRDBIBAQWFG-SFHVURJKSA-N 2 1 340.515 3.957 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000346673651 1025009649 /nfs/dbraw/zinc/00/96/49/1025009649.db2.gz IJDJRGKJHUZSJM-OAHLLOKOSA-N 2 1 328.884 3.553 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000346673651 1025009662 /nfs/dbraw/zinc/00/96/62/1025009662.db2.gz IJDJRGKJHUZSJM-OAHLLOKOSA-N 2 1 328.884 3.553 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000281432247 1025026588 /nfs/dbraw/zinc/02/65/88/1025026588.db2.gz RPGSNXDGYDMWJY-UHFFFAOYSA-N 2 1 340.515 3.835 20 0 EHADMP CC(C)O[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000428204515 1025043673 /nfs/dbraw/zinc/04/36/73/1025043673.db2.gz JDDUHWQJIQBKMK-CTNGQTDRSA-N 2 1 330.516 3.816 20 0 EHADMP CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435624527 1025047879 /nfs/dbraw/zinc/04/78/79/1025047879.db2.gz FSQCAMDDVVQZGH-GOSISDBHSA-N 2 1 339.483 3.632 20 0 EHADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629773 1025049737 /nfs/dbraw/zinc/04/97/37/1025049737.db2.gz YINSPLQREDOYRD-FQEVSTJZSA-N 2 1 337.467 3.513 20 0 EHADMP C[C@@H]1CC([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168036906 1025133589 /nfs/dbraw/zinc/13/35/89/1025133589.db2.gz XUUQCDLMHIQPSK-DBQGFPOUSA-N 2 1 343.559 3.890 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cc1 ZINC000346795634 1025142254 /nfs/dbraw/zinc/14/22/54/1025142254.db2.gz NTQWYAKDYGFQDK-QRWLVFNGSA-N 2 1 333.435 3.835 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 ZINC000631252792 1025151964 /nfs/dbraw/zinc/15/19/64/1025151964.db2.gz BTHAAUIUZADHFX-FGZHOGPDSA-N 2 1 342.527 3.631 20 0 EHADMP C[C@@H](C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000342402255 1025212971 /nfs/dbraw/zinc/21/29/71/1025212971.db2.gz CVYAJXWCRVRMRQ-BBWFWOEESA-N 2 1 343.515 3.523 20 0 EHADMP C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000342402255 1025212978 /nfs/dbraw/zinc/21/29/78/1025212978.db2.gz CVYAJXWCRVRMRQ-BBWFWOEESA-N 2 1 343.515 3.523 20 0 EHADMP C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000342402255 1025212987 /nfs/dbraw/zinc/21/29/87/1025212987.db2.gz CVYAJXWCRVRMRQ-BBWFWOEESA-N 2 1 343.515 3.523 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346883817 1025253305 /nfs/dbraw/zinc/25/33/05/1025253305.db2.gz ZDHKDJWELOHTFI-CVEARBPZSA-N 2 1 347.503 3.569 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040024 1025267890 /nfs/dbraw/zinc/26/78/90/1025267890.db2.gz JWVWULPJLJERIE-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040024 1025267901 /nfs/dbraw/zinc/26/79/01/1025267901.db2.gz JWVWULPJLJERIE-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](CO)CC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040024 1025267907 /nfs/dbraw/zinc/26/79/07/1025267907.db2.gz JWVWULPJLJERIE-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](CO)CC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040024 1025267915 /nfs/dbraw/zinc/26/79/15/1025267915.db2.gz JWVWULPJLJERIE-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)CCCO2 ZINC000346877721 1025272865 /nfs/dbraw/zinc/27/28/65/1025272865.db2.gz KTJPSUVWWHSVKY-LPHOPBHVSA-N 2 1 332.488 3.763 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168040726 1025335213 /nfs/dbraw/zinc/33/52/13/1025335213.db2.gz ORAKMKSMMIUNTD-GGPKGHCWSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168040726 1025335226 /nfs/dbraw/zinc/33/52/26/1025335226.db2.gz ORAKMKSMMIUNTD-GGPKGHCWSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168040726 1025335242 /nfs/dbraw/zinc/33/52/42/1025335242.db2.gz ORAKMKSMMIUNTD-GGPKGHCWSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000442747023 1025463663 /nfs/dbraw/zinc/46/36/63/1025463663.db2.gz IRQSIXCNIYBLNM-KRWDZBQOSA-N 2 1 328.460 3.768 20 0 EHADMP Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(C2CC2)n1 ZINC000281806979 1025530144 /nfs/dbraw/zinc/53/01/44/1025530144.db2.gz GPECGEMEOAQGCL-INIZCTEOSA-N 2 1 337.471 3.579 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000442875374 1025531274 /nfs/dbraw/zinc/53/12/74/1025531274.db2.gz ODURMICVFYFVJL-CYBMUJFWSA-N 2 1 344.330 3.670 20 0 EHADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000436287704 1025536867 /nfs/dbraw/zinc/53/68/67/1025536867.db2.gz JTHVETFMWMXMCI-FQEVSTJZSA-N 2 1 330.516 3.527 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1(C)C ZINC000442876938 1025555310 /nfs/dbraw/zinc/55/53/10/1025555310.db2.gz SRMUCFHITWHQRV-IBGZPJMESA-N 2 1 331.548 3.780 20 0 EHADMP CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443061389 1025679247 /nfs/dbraw/zinc/67/92/47/1025679247.db2.gz RMIDUFVITYPPGC-MRXNPFEDSA-N 2 1 329.513 3.933 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000443100499 1025727327 /nfs/dbraw/zinc/72/73/27/1025727327.db2.gz ABLGYJJHUZAMEF-BLLLJJGKSA-N 2 1 344.396 3.806 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CCCO3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168043790 1025733979 /nfs/dbraw/zinc/73/39/79/1025733979.db2.gz CZYGNVCYMMJZKG-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCCO3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168043790 1025733997 /nfs/dbraw/zinc/73/39/97/1025733997.db2.gz CZYGNVCYMMJZKG-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCCO3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168043790 1025734016 /nfs/dbraw/zinc/73/40/16/1025734016.db2.gz CZYGNVCYMMJZKG-KOUHRCEDSA-N 2 1 328.500 3.683 20 0 EHADMP CC1CCC(Oc2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccn2)CC1 ZINC000248006790 1025928644 /nfs/dbraw/zinc/92/86/44/1025928644.db2.gz KWXXLZSKTBTJQO-TXLGJMDYSA-N 2 1 331.504 3.611 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475121384 1026199938 /nfs/dbraw/zinc/19/99/38/1026199938.db2.gz QQHGFOYNCZFFFU-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475121384 1026199946 /nfs/dbraw/zinc/19/99/46/1026199946.db2.gz QQHGFOYNCZFFFU-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000148123773 1026220822 /nfs/dbraw/zinc/22/08/22/1026220822.db2.gz ULNJNTYLLGRTAL-KWCYVHTRSA-N 2 1 343.334 3.911 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000325057942 1026541017 /nfs/dbraw/zinc/54/10/17/1026541017.db2.gz RXUBDPYQBANIAB-JLSDUUJJSA-N 2 1 338.442 3.826 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000325057942 1026541023 /nfs/dbraw/zinc/54/10/23/1026541023.db2.gz RXUBDPYQBANIAB-JLSDUUJJSA-N 2 1 338.442 3.826 20 0 EHADMP Clc1cc2cccnc2c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000125268617 1026623990 /nfs/dbraw/zinc/62/39/90/1026623990.db2.gz UCFOLFHOLOLGAE-UHFFFAOYSA-N 2 1 338.842 3.605 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000531143631 1026626447 /nfs/dbraw/zinc/62/64/47/1026626447.db2.gz CZMFWRDXPODAED-IUODEOHRSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000531143631 1026626455 /nfs/dbraw/zinc/62/64/55/1026626455.db2.gz CZMFWRDXPODAED-IUODEOHRSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143631 1026626461 /nfs/dbraw/zinc/62/64/61/1026626461.db2.gz CZMFWRDXPODAED-IUODEOHRSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143631 1026626466 /nfs/dbraw/zinc/62/64/66/1026626466.db2.gz CZMFWRDXPODAED-IUODEOHRSA-N 2 1 331.287 3.787 20 0 EHADMP Fc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(F)c1F ZINC000192922686 1026640456 /nfs/dbraw/zinc/64/04/56/1026640456.db2.gz BDCUASGTNTYNMM-OAHLLOKOSA-N 2 1 334.385 3.716 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(F)c1F ZINC000192922686 1026640459 /nfs/dbraw/zinc/64/04/59/1026640459.db2.gz BDCUASGTNTYNMM-OAHLLOKOSA-N 2 1 334.385 3.716 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(F)c1F ZINC000192922686 1026640468 /nfs/dbraw/zinc/64/04/68/1026640468.db2.gz BDCUASGTNTYNMM-OAHLLOKOSA-N 2 1 334.385 3.716 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531343682 1026830584 /nfs/dbraw/zinc/83/05/84/1026830584.db2.gz UVFSCESBTQRGRN-KRWDZBQOSA-N 2 1 344.421 3.638 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305616391 1026861598 /nfs/dbraw/zinc/86/15/98/1026861598.db2.gz DFGIFCFAKQZLIE-RTBURBONSA-N 2 1 345.487 3.933 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305616391 1026861606 /nfs/dbraw/zinc/86/16/06/1026861606.db2.gz DFGIFCFAKQZLIE-RTBURBONSA-N 2 1 345.487 3.933 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305620112 1026861769 /nfs/dbraw/zinc/86/17/69/1026861769.db2.gz HHPSLWAYMQLGDJ-WOJBJXKFSA-N 2 1 345.462 3.699 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000305620112 1026861772 /nfs/dbraw/zinc/86/17/72/1026861772.db2.gz HHPSLWAYMQLGDJ-WOJBJXKFSA-N 2 1 345.462 3.699 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305665201 1026895965 /nfs/dbraw/zinc/89/59/65/1026895965.db2.gz ZOOPRIIDCNPZJZ-FQEVSTJZSA-N 2 1 345.462 3.556 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](CNc3nc4ccccc4[nH]3)C2)c1 ZINC000301879732 1026976897 /nfs/dbraw/zinc/97/68/97/1026976897.db2.gz LMCCSPCEAIOOPT-AWEZNQCLSA-N 2 1 326.469 3.949 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803119 1027128722 /nfs/dbraw/zinc/12/87/22/1027128722.db2.gz RKGFPDOHODCZTE-WMZOPIPTSA-N 2 1 332.488 3.619 20 0 EHADMP CC1(C)C[N@@H+](CC2(O)CCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453011166 1027222329 /nfs/dbraw/zinc/22/23/29/1027222329.db2.gz HIEAPKZJQMZBOQ-HXUWFJFHSA-N 2 1 342.527 3.524 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CC2 ZINC000126720936 1027231920 /nfs/dbraw/zinc/23/19/20/1027231920.db2.gz RRXPLZCXGLLVAU-HSZRJFAPSA-N 2 1 349.522 3.520 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)CC1 ZINC000126733371 1027235896 /nfs/dbraw/zinc/23/58/96/1027235896.db2.gz TVEQZQVKVFWYPF-QHCPKHFHSA-N 2 1 349.522 3.601 20 0 EHADMP Cc1nc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076109983 1027241494 /nfs/dbraw/zinc/24/14/94/1027241494.db2.gz RSNDNCTYPSJQGV-GOSISDBHSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076109983 1027241510 /nfs/dbraw/zinc/24/15/10/1027241510.db2.gz RSNDNCTYPSJQGV-GOSISDBHSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1nc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000076109983 1027241531 /nfs/dbraw/zinc/24/15/31/1027241531.db2.gz RSNDNCTYPSJQGV-GOSISDBHSA-N 2 1 329.513 3.714 20 0 EHADMP Cc1nc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000076109983 1027241550 /nfs/dbraw/zinc/24/15/50/1027241550.db2.gz RSNDNCTYPSJQGV-GOSISDBHSA-N 2 1 329.513 3.714 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000453071575 1027287631 /nfs/dbraw/zinc/28/76/31/1027287631.db2.gz CTWUEHGUWNNVQZ-LJQANCHMSA-N 2 1 330.497 3.821 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453093311 1027353223 /nfs/dbraw/zinc/35/32/23/1027353223.db2.gz FSJCFIUXDVOAEH-IPMKNSEASA-N 2 1 341.524 3.984 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000453151291 1027422638 /nfs/dbraw/zinc/42/26/38/1027422638.db2.gz SZDIPSLKQBDRNM-MIUGBVLSSA-N 2 1 342.527 3.834 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420268897 1027426796 /nfs/dbraw/zinc/42/67/96/1027426796.db2.gz HFEIGVHYPIJZGG-HNNXBMFYSA-N 2 1 344.890 3.537 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420268897 1027426801 /nfs/dbraw/zinc/42/68/01/1027426801.db2.gz HFEIGVHYPIJZGG-HNNXBMFYSA-N 2 1 344.890 3.537 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000453138460 1027444118 /nfs/dbraw/zinc/44/41/18/1027444118.db2.gz JNJQEQUBYMKZSV-HBMCJLEFSA-N 2 1 339.458 3.754 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000453138460 1027444137 /nfs/dbraw/zinc/44/41/37/1027444137.db2.gz JNJQEQUBYMKZSV-HBMCJLEFSA-N 2 1 339.458 3.754 20 0 EHADMP CCn1ccnc1C[N@@H+](CCCC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000420301037 1027449282 /nfs/dbraw/zinc/44/92/82/1027449282.db2.gz ADTSKUCBFNMPFY-IBGZPJMESA-N 2 1 344.547 3.818 20 0 EHADMP c1cc(CCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000420306056 1027453705 /nfs/dbraw/zinc/45/37/05/1027453705.db2.gz HGSLIAIKZVAGJA-LJQANCHMSA-N 2 1 329.513 3.720 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311630 1027456960 /nfs/dbraw/zinc/45/69/60/1027456960.db2.gz NXZPBRBMBOQRMQ-HNNXBMFYSA-N 2 1 344.890 3.666 20 0 EHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326687 1027478958 /nfs/dbraw/zinc/47/89/58/1027478958.db2.gz KHXFIBKOCBDUFM-KBAYOESNSA-N 2 1 325.456 3.724 20 0 EHADMP Fc1cc(Br)cc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420363726 1027487204 /nfs/dbraw/zinc/48/72/04/1027487204.db2.gz CEABBJIRWFHEPZ-BLLLJJGKSA-N 2 1 341.268 3.725 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420381598 1027501852 /nfs/dbraw/zinc/50/18/52/1027501852.db2.gz RUMHHDBMOMEETM-QFIPXVFZSA-N 2 1 349.478 3.514 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420381598 1027501862 /nfs/dbraw/zinc/50/18/62/1027501862.db2.gz RUMHHDBMOMEETM-QFIPXVFZSA-N 2 1 349.478 3.514 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2c(F)cccc2Cl)cc1 ZINC000420412737 1027528717 /nfs/dbraw/zinc/52/87/17/1027528717.db2.gz SPCVUQRXGFVCKX-OCCSQVGLSA-N 2 1 336.838 3.881 20 0 EHADMP CC[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000657597012 1027558338 /nfs/dbraw/zinc/55/83/38/1027558338.db2.gz QPXYBSHPASMDIQ-RBBKRZOGSA-N 2 1 338.495 3.537 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501868794 1027611382 /nfs/dbraw/zinc/61/13/82/1027611382.db2.gz GAZBJVUQCSRQRX-UHFFFAOYSA-N 2 1 332.488 3.560 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501868794 1027611391 /nfs/dbraw/zinc/61/13/91/1027611391.db2.gz GAZBJVUQCSRQRX-UHFFFAOYSA-N 2 1 332.488 3.560 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000475563047 1027624363 /nfs/dbraw/zinc/62/43/63/1027624363.db2.gz PKDLJPWVNWSFNF-NTYOPAKOSA-N 2 1 341.543 3.504 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4n[nH]cc43)C2)CC1 ZINC000628156675 1027691404 /nfs/dbraw/zinc/69/14/04/1027691404.db2.gz YLPOJXGARGFBPA-KRWDZBQOSA-N 2 1 326.488 3.507 20 0 EHADMP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000414655780 1027716152 /nfs/dbraw/zinc/71/61/52/1027716152.db2.gz MBEAUVGGXLZGRI-CQSZACIVSA-N 2 1 346.906 3.604 20 0 EHADMP C[C@H]1C[C@@H](N(C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338807 1027728681 /nfs/dbraw/zinc/72/86/81/1027728681.db2.gz GVUIYJDZXCKLPS-LPHOPBHVSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@@H](N(C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338807 1027728703 /nfs/dbraw/zinc/72/87/03/1027728703.db2.gz GVUIYJDZXCKLPS-LPHOPBHVSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338807 1027728720 /nfs/dbraw/zinc/72/87/20/1027728720.db2.gz GVUIYJDZXCKLPS-LPHOPBHVSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338807 1027728737 /nfs/dbraw/zinc/72/87/37/1027728737.db2.gz GVUIYJDZXCKLPS-LPHOPBHVSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338807 1027728753 /nfs/dbraw/zinc/72/87/53/1027728753.db2.gz GVUIYJDZXCKLPS-LPHOPBHVSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338807 1027728776 /nfs/dbraw/zinc/72/87/76/1027728776.db2.gz GVUIYJDZXCKLPS-LPHOPBHVSA-N 2 1 346.906 3.521 20 0 EHADMP CC(C)(C)OCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657637283 1027738018 /nfs/dbraw/zinc/73/80/18/1027738018.db2.gz FAMZCHJXEQJCMU-UHFFFAOYSA-N 2 1 336.495 3.627 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414660479 1027739722 /nfs/dbraw/zinc/73/97/22/1027739722.db2.gz OGIRSOGAKJESCE-SJORKVTESA-N 2 1 340.515 3.729 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414660473 1027740907 /nfs/dbraw/zinc/74/09/07/1027740907.db2.gz OGIRSOGAKJESCE-IAGOWNOFSA-N 2 1 340.515 3.729 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000305121579 1027810254 /nfs/dbraw/zinc/81/02/54/1027810254.db2.gz JSWVTKPYUTVUQI-ACJLOTCBSA-N 2 1 327.453 3.626 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066410 1027895299 /nfs/dbraw/zinc/89/52/99/1027895299.db2.gz CFMKCRLBKOPELD-VXKWHMMOSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339066410 1027895327 /nfs/dbraw/zinc/89/53/27/1027895327.db2.gz CFMKCRLBKOPELD-VXKWHMMOSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066410 1027895351 /nfs/dbraw/zinc/89/53/51/1027895351.db2.gz CFMKCRLBKOPELD-VXKWHMMOSA-N 2 1 341.543 3.779 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420956967 1027926935 /nfs/dbraw/zinc/92/69/35/1027926935.db2.gz BEYCGEJEDLBJSN-MRXNPFEDSA-N 2 1 348.288 3.661 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420956967 1027926947 /nfs/dbraw/zinc/92/69/47/1027926947.db2.gz BEYCGEJEDLBJSN-MRXNPFEDSA-N 2 1 348.288 3.661 20 0 EHADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1Cl ZINC000422765133 1027945147 /nfs/dbraw/zinc/94/51/47/1027945147.db2.gz QGLXULRKAJMOLF-GBESFXJTSA-N 2 1 329.875 3.677 20 0 EHADMP CC[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422813941 1027963314 /nfs/dbraw/zinc/96/33/14/1027963314.db2.gz ZGKLKOFVHCOGNL-BVYCBKJFSA-N 2 1 335.495 3.558 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422865854 1028001137 /nfs/dbraw/zinc/00/11/37/1028001137.db2.gz POQNEEIIBDXUOI-GJZGRUSLSA-N 3 1 349.482 3.755 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883947 1028014908 /nfs/dbraw/zinc/01/49/08/1028014908.db2.gz VZAKANHQFJPTCP-NMLBUPMWSA-N 2 1 345.531 3.625 20 0 EHADMP Brc1cccc(C[C@H]2CCCC[N@H+]2CCn2ccnc2)c1 ZINC000421045350 1028027518 /nfs/dbraw/zinc/02/75/18/1028027518.db2.gz UUCIHRMLBPVYPA-QGZVFWFLSA-N 2 1 348.288 3.743 20 0 EHADMP C1C[N@H+](C2CCCCC2)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000657678530 1028059928 /nfs/dbraw/zinc/05/99/28/1028059928.db2.gz SAVRIILNBSMQQV-LJQANCHMSA-N 2 1 333.564 3.780 20 0 EHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc2ccccc21 ZINC000422935198 1028063187 /nfs/dbraw/zinc/06/31/87/1028063187.db2.gz DIVBKZCOGITARZ-DYESRHJHSA-N 2 1 334.463 3.767 20 0 EHADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CCCC2)cc1 ZINC000423042216 1028148782 /nfs/dbraw/zinc/14/87/82/1028148782.db2.gz KOCDWRJDMUPYLL-NJYVYQBISA-N 2 1 342.527 3.536 20 0 EHADMP C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423056083 1028152034 /nfs/dbraw/zinc/15/20/34/1028152034.db2.gz WZSTXKXXHHFZCL-MRXNPFEDSA-N 2 1 325.456 3.532 20 0 EHADMP C[C@H]([NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423061049 1028152659 /nfs/dbraw/zinc/15/26/59/1028152659.db2.gz PXHRHJICQSINJG-XHDPSFHLSA-N 2 1 330.369 3.606 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423119296 1028187815 /nfs/dbraw/zinc/18/78/15/1028187815.db2.gz DMFRQEKXHHWDIM-OJAHFUOMSA-N 2 1 338.499 3.834 20 0 EHADMP [NH3+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423182769 1028229853 /nfs/dbraw/zinc/22/98/53/1028229853.db2.gz HDUDORXZGQAKCO-INIZCTEOSA-N 2 1 326.337 3.872 20 0 EHADMP C[C@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)c1c[nH+]ccc1N ZINC000423166853 1028240414 /nfs/dbraw/zinc/24/04/14/1028240414.db2.gz ZOPIEPWUSPZZND-JTQLQIEISA-N 2 1 326.227 3.531 20 0 EHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423174643 1028243030 /nfs/dbraw/zinc/24/30/30/1028243030.db2.gz BNXDPGVSXLPLAH-FQEVSTJZSA-N 2 1 339.483 3.625 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181060 1028250102 /nfs/dbraw/zinc/25/01/02/1028250102.db2.gz CDDPTFPASMSHRX-HOTGVXAUSA-N 2 1 331.891 3.997 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423181307 1028251243 /nfs/dbraw/zinc/25/12/43/1028251243.db2.gz OTFVPSDMRSHCEF-INIZCTEOSA-N 2 1 346.519 3.873 20 0 EHADMP [NH3+]CCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423195826 1028265502 /nfs/dbraw/zinc/26/55/02/1028265502.db2.gz TYBNMJIESKKPDR-MRXNPFEDSA-N 2 1 337.236 3.616 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](N)c2ccccc2)CC1 ZINC000423234030 1028275395 /nfs/dbraw/zinc/27/53/95/1028275395.db2.gz FJFVDHMIQPDCDC-LZBANZJXSA-N 2 1 337.511 3.719 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCC3)cc1 ZINC000423275703 1028338454 /nfs/dbraw/zinc/33/84/54/1028338454.db2.gz NMHLSHRILBLTRX-HZPDHXFCSA-N 2 1 345.512 3.769 20 0 EHADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423316182 1028345164 /nfs/dbraw/zinc/34/51/64/1028345164.db2.gz AQYPBSXNXLLMFH-PELKAZGASA-N 2 1 339.199 3.856 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294552 1028351212 /nfs/dbraw/zinc/35/12/12/1028351212.db2.gz UVBGXPLAQBOZPX-KGVIQGDOSA-N 3 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423294552 1028351226 /nfs/dbraw/zinc/35/12/26/1028351226.db2.gz UVBGXPLAQBOZPX-KGVIQGDOSA-N 2 1 337.511 3.707 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423332253 1028368168 /nfs/dbraw/zinc/36/81/68/1028368168.db2.gz PGFQQGKATNHBCQ-HOTGVXAUSA-N 2 1 325.294 3.880 20 0 EHADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc(Cl)c1O ZINC000459379776 1028410208 /nfs/dbraw/zinc/41/02/08/1028410208.db2.gz RVFODJRMCVHLIH-HIFRSBDPSA-N 2 1 340.895 3.749 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000237131397 1028410612 /nfs/dbraw/zinc/41/06/12/1028410612.db2.gz LAQIPLWAHCPDDR-HXUWFJFHSA-N 2 1 344.474 3.607 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000423418943 1028415559 /nfs/dbraw/zinc/41/55/59/1028415559.db2.gz IBJDLGOFMKVTFG-BWHLVSMOSA-N 3 1 343.559 3.784 20 0 EHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423439675 1028446597 /nfs/dbraw/zinc/44/65/97/1028446597.db2.gz HWQOGHWXTUSHBK-CIUDSAMLSA-N 2 1 339.199 3.854 20 0 EHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1 ZINC000423499502 1028467254 /nfs/dbraw/zinc/46/72/54/1028467254.db2.gz BAUVUDPGTUQORY-ACBHZAAOSA-N 2 1 335.923 3.597 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1Cl ZINC000423531268 1028484906 /nfs/dbraw/zinc/48/49/06/1028484906.db2.gz SEGWSBXMULHKSP-FVKPPRGOSA-N 2 1 349.906 3.548 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)C ZINC000195136122 1028583897 /nfs/dbraw/zinc/58/38/97/1028583897.db2.gz MKRAVDUAGXPTEF-FXAWDEMLSA-N 2 1 340.515 3.945 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414763629 1028669431 /nfs/dbraw/zinc/66/94/31/1028669431.db2.gz CVJJITJTQUNACA-VXZZMONESA-N 2 1 348.490 3.820 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414763629 1028669436 /nfs/dbraw/zinc/66/94/36/1028669436.db2.gz CVJJITJTQUNACA-VXZZMONESA-N 2 1 348.490 3.820 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)cn1 ZINC000841746285 1028700386 /nfs/dbraw/zinc/70/03/86/1028700386.db2.gz XQROPLIAOJBOTL-RRQGHBQHSA-N 2 1 338.480 3.919 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310223 1028774762 /nfs/dbraw/zinc/77/47/62/1028774762.db2.gz VIRVZZMITLEQJK-FCHUYYIVSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310223 1028774767 /nfs/dbraw/zinc/77/47/67/1028774767.db2.gz VIRVZZMITLEQJK-FCHUYYIVSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310223 1028774783 /nfs/dbraw/zinc/77/47/83/1028774783.db2.gz VIRVZZMITLEQJK-FCHUYYIVSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310223 1028774792 /nfs/dbraw/zinc/77/47/92/1028774792.db2.gz VIRVZZMITLEQJK-FCHUYYIVSA-N 2 1 335.495 3.611 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CC12CCOCC2 ZINC000414773539 1028790319 /nfs/dbraw/zinc/79/03/19/1028790319.db2.gz AHFPCXVESVXCGB-NRFANRHFSA-N 2 1 336.479 3.541 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000424150487 1028838145 /nfs/dbraw/zinc/83/81/45/1028838145.db2.gz ZCXUVNSVDDBWJX-YJBOKZPZSA-N 2 1 332.517 3.698 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000424150487 1028838155 /nfs/dbraw/zinc/83/81/55/1028838155.db2.gz ZCXUVNSVDDBWJX-YJBOKZPZSA-N 2 1 332.517 3.698 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248445523 1028904273 /nfs/dbraw/zinc/90/42/73/1028904273.db2.gz MOUKQMXFHFSGNP-YADHBBJMSA-N 2 1 338.495 3.884 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000248449303 1028907320 /nfs/dbraw/zinc/90/73/20/1028907320.db2.gz OMXGNKVZZBIBQL-APWZRJJASA-N 2 1 342.483 3.650 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000248449303 1028907334 /nfs/dbraw/zinc/90/73/34/1028907334.db2.gz OMXGNKVZZBIBQL-APWZRJJASA-N 2 1 342.483 3.650 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1Cl ZINC000248453590 1028910737 /nfs/dbraw/zinc/91/07/37/1028910737.db2.gz QQCJFTWQBVNYPA-CRAIPNDOSA-N 2 1 344.886 3.757 20 0 EHADMP C[C@H]1CC2(C[N@H+]1CCOc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424285958 1028929492 /nfs/dbraw/zinc/92/94/92/1028929492.db2.gz GLYPHIQLZAORQY-AWEZNQCLSA-N 2 1 342.405 3.548 20 0 EHADMP C[C@H]1CC2(C[N@H+]1CCOc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424296649 1028936940 /nfs/dbraw/zinc/93/69/40/1028936940.db2.gz SDGQLXCNLWVAAY-ZDUSSCGKSA-N 2 1 343.298 3.836 20 0 EHADMP Cc1csc([C@@H]2CCCC[N@@H+]2C[C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302269 1028939733 /nfs/dbraw/zinc/93/97/33/1028939733.db2.gz LXOIOACPZNYMAY-WBVHZDCISA-N 2 1 333.476 3.860 20 0 EHADMP Cc1csc([C@@H]2CCCC[N@H+]2C[C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000424302269 1028939739 /nfs/dbraw/zinc/93/97/39/1028939739.db2.gz LXOIOACPZNYMAY-WBVHZDCISA-N 2 1 333.476 3.860 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299848 1028940896 /nfs/dbraw/zinc/94/08/96/1028940896.db2.gz VZBAKSYGHQIECH-ZDUSSCGKSA-N 2 1 331.485 3.676 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)C[C@H]2C1 ZINC000424270036 1028944425 /nfs/dbraw/zinc/94/44/25/1028944425.db2.gz NAINVJJJMMLSPJ-FXELSEDVSA-N 2 1 330.516 3.820 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248873347 1028960754 /nfs/dbraw/zinc/96/07/54/1028960754.db2.gz INKJKYJNVRCXIU-BPIHKTFHSA-N 2 1 347.934 3.690 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000248883140 1028961597 /nfs/dbraw/zinc/96/15/97/1028961597.db2.gz LHJQFYMAEHIRJY-WNTWWTRPSA-N 2 1 328.500 3.678 20 0 EHADMP CC1(C)[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000245656311 1028980707 /nfs/dbraw/zinc/98/07/07/1028980707.db2.gz DPSVQSWFHQGBSI-FITZOCOBSA-N 2 1 340.511 3.585 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccnc1Cl ZINC000162553673 1028997590 /nfs/dbraw/zinc/99/75/90/1028997590.db2.gz NVIKCQKGBNQJGL-CQSZACIVSA-N 2 1 333.863 3.526 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCc2ccccn2)C3)cc1 ZINC000245713883 1029114533 /nfs/dbraw/zinc/11/45/33/1029114533.db2.gz NROPBVSBQMAZLS-KOUNCHBCSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000251594733 1029140409 /nfs/dbraw/zinc/14/04/09/1029140409.db2.gz YGASAKVDSDJUPP-SRVKXCTJSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000251594733 1029140413 /nfs/dbraw/zinc/14/04/13/1029140413.db2.gz YGASAKVDSDJUPP-SRVKXCTJSA-N 2 1 329.307 3.788 20 0 EHADMP CC[C@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647937047 1029161116 /nfs/dbraw/zinc/16/11/16/1029161116.db2.gz QCDIKFUHPQALTJ-YOEHRIQHSA-N 2 1 344.421 3.924 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414801361 1029169291 /nfs/dbraw/zinc/16/92/91/1029169291.db2.gz LVIKLMYCDPSDBV-NRFANRHFSA-N 2 1 346.478 3.675 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001167658999 1029211410 /nfs/dbraw/zinc/21/14/10/1029211410.db2.gz MJQNGAKLQUZFIL-DUXKGJEZSA-N 2 1 334.548 3.921 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000414809690 1029262598 /nfs/dbraw/zinc/26/25/98/1029262598.db2.gz MRFJDAZUNWPFAM-LLVKDONJSA-N 2 1 337.236 3.898 20 0 EHADMP CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245782819 1029293321 /nfs/dbraw/zinc/29/33/21/1029293321.db2.gz ZEYPIJUCNQHBGX-YRPNKDGESA-N 2 1 330.516 3.569 20 0 EHADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000272310096 1029408356 /nfs/dbraw/zinc/40/83/56/1029408356.db2.gz IRORECDHPHJPQW-FTRWYGJKSA-N 2 1 338.499 3.655 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000105476298 1029437788 /nfs/dbraw/zinc/43/77/88/1029437788.db2.gz QYQMZDOEPLJTLK-UHFFFAOYSA-N 2 1 343.540 3.532 20 0 EHADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000078758912 1029440461 /nfs/dbraw/zinc/44/04/61/1029440461.db2.gz AAHDEYUIDOJYNL-ZDUSSCGKSA-N 2 1 334.261 3.528 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000272383024 1029442013 /nfs/dbraw/zinc/44/20/13/1029442013.db2.gz FMQAWFVAQAEREX-ACDBMABISA-N 2 1 341.524 3.779 20 0 EHADMP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000272423149 1029455934 /nfs/dbraw/zinc/45/59/34/1029455934.db2.gz ODVIMDXXUSCXIN-OWZKRDHZSA-N 2 1 328.500 3.588 20 0 EHADMP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OCc1cccs1 ZINC000414830101 1029471959 /nfs/dbraw/zinc/47/19/59/1029471959.db2.gz AOWWBDIZJGRMMH-MRXNPFEDSA-N 2 1 348.512 3.799 20 0 EHADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)C1CCCCC1 ZINC000414840616 1029528684 /nfs/dbraw/zinc/52/86/84/1029528684.db2.gz MOPUOYYDPDCQQS-OAQYLSRUSA-N 2 1 339.483 3.658 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414841053 1029545497 /nfs/dbraw/zinc/54/54/97/1029545497.db2.gz YUKWHQGOMZYAHB-ZDUSSCGKSA-N 2 1 327.453 3.646 20 0 EHADMP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000428437679 1029563312 /nfs/dbraw/zinc/56/33/12/1029563312.db2.gz HZVWNACNLXXSCZ-INIZCTEOSA-N 2 1 342.487 3.937 20 0 EHADMP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000428437679 1029563318 /nfs/dbraw/zinc/56/33/18/1029563318.db2.gz HZVWNACNLXXSCZ-INIZCTEOSA-N 2 1 342.487 3.937 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)CC[NH+](C)C)c1 ZINC001625982834 1029660568 /nfs/dbraw/zinc/66/05/68/1029660568.db2.gz SBXOSRGBZJMPRM-MRXNPFEDSA-N 2 1 342.487 3.581 20 0 EHADMP C[C@H](CCc1cccn1C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699804 1029745107 /nfs/dbraw/zinc/74/51/07/1029745107.db2.gz RNFWRBLUWMRHQX-SVFBPWRDSA-N 2 1 339.527 3.846 20 0 EHADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508715645 1029774591 /nfs/dbraw/zinc/77/45/91/1029774591.db2.gz JIKKYLJQYVJFOO-CUXKYVRBSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715645 1029774602 /nfs/dbraw/zinc/77/46/02/1029774602.db2.gz JIKKYLJQYVJFOO-CUXKYVRBSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715645 1029774611 /nfs/dbraw/zinc/77/46/11/1029774611.db2.gz JIKKYLJQYVJFOO-CUXKYVRBSA-N 2 1 343.559 3.750 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCCC2)cc1 ZINC000446816237 1029800635 /nfs/dbraw/zinc/80/06/35/1029800635.db2.gz ARLKINHEWCLTQQ-JOCHJYFZSA-N 2 1 343.559 3.844 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2COC)[C@@H](C)C1 ZINC000508727222 1029835541 /nfs/dbraw/zinc/83/55/41/1029835541.db2.gz PBOKPVBYQLHPEF-JCXSTKQLSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2COC)[C@@H](C)C1 ZINC000508727222 1029835548 /nfs/dbraw/zinc/83/55/48/1029835548.db2.gz PBOKPVBYQLHPEF-JCXSTKQLSA-N 2 1 330.516 3.898 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2COC)[C@@H](C)C1 ZINC000508727222 1029835554 /nfs/dbraw/zinc/83/55/54/1029835554.db2.gz PBOKPVBYQLHPEF-JCXSTKQLSA-N 2 1 330.516 3.898 20 0 EHADMP COC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000453219026 1029931730 /nfs/dbraw/zinc/93/17/30/1029931730.db2.gz HSFRZHCJFFXIRH-UHFFFAOYSA-N 2 1 330.516 3.978 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)o1 ZINC000278281392 1029940548 /nfs/dbraw/zinc/94/05/48/1029940548.db2.gz PYJRAZBXBSJWNB-DLBZAZTESA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)o1 ZINC000278281392 1029940566 /nfs/dbraw/zinc/94/05/66/1029940566.db2.gz PYJRAZBXBSJWNB-DLBZAZTESA-N 2 1 342.483 3.968 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1Br ZINC000635013143 1029967637 /nfs/dbraw/zinc/96/76/37/1029967637.db2.gz RAMAWLJAFDLAKT-IAGOWNOFSA-N 2 1 331.257 3.992 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000650706515 1029997898 /nfs/dbraw/zinc/99/78/98/1029997898.db2.gz MIXPYUCYKKQGDH-XPKDYRNWSA-N 2 1 343.298 3.712 20 0 EHADMP FCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000453308494 1030077134 /nfs/dbraw/zinc/07/71/34/1030077134.db2.gz MDERMFJURZNABK-ACDBMABISA-N 2 1 346.490 3.538 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453309889 1030082104 /nfs/dbraw/zinc/08/21/04/1030082104.db2.gz DXZZOUQLXWCURB-HMXCVIKNSA-N 2 1 342.527 3.836 20 0 EHADMP CCn1ccnc1[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453367849 1030185628 /nfs/dbraw/zinc/18/56/28/1030185628.db2.gz UDOFYTMEVUEQKK-KKXNLOMOSA-N 2 1 340.515 3.997 20 0 EHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722465 1030192882 /nfs/dbraw/zinc/19/28/82/1030192882.db2.gz UKGXOYRLKFNUHQ-ZCNNSNEGSA-N 2 1 330.516 3.845 20 0 EHADMP CO[C@@H]([C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000453373072 1030193769 /nfs/dbraw/zinc/19/37/69/1030193769.db2.gz OKYRIOUTVMQRQO-WIGAVFHRSA-N 2 1 328.500 3.585 20 0 EHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723592 1030211184 /nfs/dbraw/zinc/21/11/84/1030211184.db2.gz QMLSWXHNSBQXOZ-XFQXTVEOSA-N 2 1 328.456 3.602 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F)C1CC1 ZINC000453403734 1030212048 /nfs/dbraw/zinc/21/20/48/1030212048.db2.gz OPUNWMVKDAOIIG-FQEVSTJZSA-N 2 1 345.437 3.913 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)cc1C ZINC000482152189 1030228445 /nfs/dbraw/zinc/22/84/45/1030228445.db2.gz QKPXRUXVWZYCAZ-AZUAARDMSA-N 2 1 345.531 3.732 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)O1 ZINC000657773921 1030268592 /nfs/dbraw/zinc/26/85/92/1030268592.db2.gz WELVNRVTCAHBCG-JYRKZWEQSA-N 2 1 342.527 3.834 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)C1 ZINC000163273816 1030274776 /nfs/dbraw/zinc/27/47/76/1030274776.db2.gz PUCZJWPBINRTJF-ZFWWWQNUSA-N 2 1 330.501 3.506 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000525989504 1030311054 /nfs/dbraw/zinc/31/10/54/1030311054.db2.gz CVUDPRPLCOHPGW-UHFFFAOYSA-N 2 1 326.431 3.603 20 0 EHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598344 1030336286 /nfs/dbraw/zinc/33/62/86/1030336286.db2.gz HSOXCXORRROGFV-DZUCGIPZSA-N 2 1 326.406 3.970 20 0 EHADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482461428 1030445925 /nfs/dbraw/zinc/44/59/25/1030445925.db2.gz RUEWVTNANIWAAW-XMSQKQJNSA-N 2 1 338.470 3.967 20 0 EHADMP Oc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000278375206 1030466790 /nfs/dbraw/zinc/46/67/90/1030466790.db2.gz CNWZJOMDXVOXOE-WKCHPHFGSA-N 2 1 336.479 3.720 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCCC(C)C ZINC000532193041 1030469087 /nfs/dbraw/zinc/46/90/87/1030469087.db2.gz JGMQKWQKKWHCDE-SJLPKXTDSA-N 2 1 334.504 3.550 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475694806 1030591003 /nfs/dbraw/zinc/59/10/03/1030591003.db2.gz PLZMYISQXVRRCJ-AWEZNQCLSA-N 2 1 330.394 3.894 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660056 1030646841 /nfs/dbraw/zinc/64/68/41/1030646841.db2.gz ZIFOUGPKEYBUDA-MRXNPFEDSA-N 2 1 330.451 3.522 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660056 1030646849 /nfs/dbraw/zinc/64/68/49/1030646849.db2.gz ZIFOUGPKEYBUDA-MRXNPFEDSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660056 1030646859 /nfs/dbraw/zinc/64/68/59/1030646859.db2.gz ZIFOUGPKEYBUDA-MRXNPFEDSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccccc1F ZINC000093660056 1030646865 /nfs/dbraw/zinc/64/68/65/1030646865.db2.gz ZIFOUGPKEYBUDA-MRXNPFEDSA-N 2 1 330.451 3.522 20 0 EHADMP C[C@H]1CCC[C@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115934 1030662849 /nfs/dbraw/zinc/66/28/49/1030662849.db2.gz IBTOAXGZKYSDPU-FPOVZHCZSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@H]1CCC[C@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000527115934 1030662845 /nfs/dbraw/zinc/66/28/45/1030662845.db2.gz IBTOAXGZKYSDPU-FPOVZHCZSA-N 2 1 349.607 3.941 20 0 EHADMP C[C@H]1CCC[C@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115934 1030662853 /nfs/dbraw/zinc/66/28/53/1030662853.db2.gz IBTOAXGZKYSDPU-FPOVZHCZSA-N 3 1 349.607 3.941 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@H]2CCC[C@@H]21 ZINC000550859918 1030747806 /nfs/dbraw/zinc/74/78/06/1030747806.db2.gz DPAKIPCCPQYMAJ-KBMXLJTQSA-N 2 1 341.268 3.551 20 0 EHADMP CCN(CC)C[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550887788 1030764131 /nfs/dbraw/zinc/76/41/31/1030764131.db2.gz SYGQDNSPHOVNRM-KMFTYDHNSA-N 2 1 331.548 3.750 20 0 EHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000550887788 1030764144 /nfs/dbraw/zinc/76/41/44/1030764144.db2.gz SYGQDNSPHOVNRM-KMFTYDHNSA-N 3 1 331.548 3.750 20 0 EHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550887788 1030764159 /nfs/dbraw/zinc/76/41/59/1030764159.db2.gz SYGQDNSPHOVNRM-KMFTYDHNSA-N 3 1 331.548 3.750 20 0 EHADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000550890091 1030767437 /nfs/dbraw/zinc/76/74/37/1030767437.db2.gz DAYOEIQIOSWGGA-WIYYLYMNSA-N 2 1 340.515 3.723 20 0 EHADMP CCC(CC)(CO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550938360 1030808838 /nfs/dbraw/zinc/80/88/38/1030808838.db2.gz UTBXTQKVTVAEKX-UHFFFAOYSA-N 2 1 332.532 3.818 20 0 EHADMP CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942876 1030836665 /nfs/dbraw/zinc/83/66/65/1030836665.db2.gz GFKYRBWBYCEUMS-QUCCMNQESA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942876 1030836683 /nfs/dbraw/zinc/83/66/83/1030836683.db2.gz GFKYRBWBYCEUMS-QUCCMNQESA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000227908028 1030853543 /nfs/dbraw/zinc/85/35/43/1030853543.db2.gz GVJSTIJHKNWZQX-QMMMGPOBSA-N 2 1 337.714 3.723 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000668188924 1030890885 /nfs/dbraw/zinc/89/08/85/1030890885.db2.gz SKDSNGBOCWSSFU-IBGZPJMESA-N 2 1 327.497 3.646 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188924 1030890887 /nfs/dbraw/zinc/89/08/87/1030890887.db2.gz SKDSNGBOCWSSFU-IBGZPJMESA-N 2 1 327.497 3.646 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189013 1030892512 /nfs/dbraw/zinc/89/25/12/1030892512.db2.gz VYDGDIOAQOHUHU-QGZVFWFLSA-N 2 1 349.272 3.723 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189013 1030892535 /nfs/dbraw/zinc/89/25/35/1030892535.db2.gz VYDGDIOAQOHUHU-QGZVFWFLSA-N 2 1 349.272 3.723 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189013 1030892559 /nfs/dbraw/zinc/89/25/59/1030892559.db2.gz VYDGDIOAQOHUHU-QGZVFWFLSA-N 2 1 349.272 3.723 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189013 1030892582 /nfs/dbraw/zinc/89/25/82/1030892582.db2.gz VYDGDIOAQOHUHU-QGZVFWFLSA-N 2 1 349.272 3.723 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000551009951 1030909259 /nfs/dbraw/zinc/90/92/59/1030909259.db2.gz XRMMPOQCOOJLPU-QCFAMHMHSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551009951 1030909278 /nfs/dbraw/zinc/90/92/78/1030909278.db2.gz XRMMPOQCOOJLPU-QCFAMHMHSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000551009951 1030909296 /nfs/dbraw/zinc/90/92/96/1030909296.db2.gz XRMMPOQCOOJLPU-QCFAMHMHSA-N 2 1 329.532 3.532 20 0 EHADMP c1c2cccnc2oc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438393 1030928070 /nfs/dbraw/zinc/92/80/70/1030928070.db2.gz AUHMYVFDVLZZSJ-GOSISDBHSA-N 2 1 335.451 3.830 20 0 EHADMP c1c2cccnc2oc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000648438393 1030928083 /nfs/dbraw/zinc/92/80/83/1030928083.db2.gz AUHMYVFDVLZZSJ-GOSISDBHSA-N 2 1 335.451 3.830 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070574 1030938462 /nfs/dbraw/zinc/93/84/62/1030938462.db2.gz GLJVKHQDGFIVKB-LRDDRELGSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070574 1030938468 /nfs/dbraw/zinc/93/84/68/1030938468.db2.gz GLJVKHQDGFIVKB-LRDDRELGSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070574 1030938485 /nfs/dbraw/zinc/93/84/85/1030938485.db2.gz GLJVKHQDGFIVKB-LRDDRELGSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070574 1030938496 /nfs/dbraw/zinc/93/84/96/1030938496.db2.gz GLJVKHQDGFIVKB-LRDDRELGSA-N 2 1 343.284 3.893 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094154 1030985743 /nfs/dbraw/zinc/98/57/43/1030985743.db2.gz SCAIERHJYPMIHY-ZIAGYGMSSA-N 2 1 342.405 3.523 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000551087083 1031030611 /nfs/dbraw/zinc/03/06/11/1031030611.db2.gz MCSDLVXHCUXIEY-HBMCJLEFSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551087083 1031030633 /nfs/dbraw/zinc/03/06/33/1031030633.db2.gz MCSDLVXHCUXIEY-HBMCJLEFSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551087083 1031030649 /nfs/dbraw/zinc/03/06/49/1031030649.db2.gz MCSDLVXHCUXIEY-HBMCJLEFSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000551087708 1031030981 /nfs/dbraw/zinc/03/09/81/1031030981.db2.gz YIQFCTFWVLHRJN-RMVXJAJNSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000476989802 1031150414 /nfs/dbraw/zinc/15/04/14/1031150414.db2.gz VQRAGPXLKKLBPO-QGZVFWFLSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@]1(C)CCCO1 ZINC000551265871 1031178807 /nfs/dbraw/zinc/17/88/07/1031178807.db2.gz QMSNPWUMDFWPRE-LVCYWYKZSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803212 1031275177 /nfs/dbraw/zinc/27/51/77/1031275177.db2.gz DIEMSMNETAQZKK-VBYALHQYSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527803212 1031275182 /nfs/dbraw/zinc/27/51/82/1031275182.db2.gz DIEMSMNETAQZKK-VBYALHQYSA-N 2 1 328.500 3.585 20 0 EHADMP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666993916 1031403891 /nfs/dbraw/zinc/40/38/91/1031403891.db2.gz SOYMMRINJPKNPG-NSHDSACASA-N 2 1 329.307 3.583 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993942 1031412990 /nfs/dbraw/zinc/41/29/90/1031412990.db2.gz VUQNASKSHOANCT-GOSISDBHSA-N 2 1 336.483 3.614 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484165536 1031483458 /nfs/dbraw/zinc/48/34/58/1031483458.db2.gz SQRQHOLXYAQFTO-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484165536 1031483470 /nfs/dbraw/zinc/48/34/70/1031483470.db2.gz SQRQHOLXYAQFTO-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000527932500 1031496178 /nfs/dbraw/zinc/49/61/78/1031496178.db2.gz MVNJHFKFANTBLW-APFCUJBGSA-N 2 1 337.305 3.782 20 0 EHADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000484280291 1031509128 /nfs/dbraw/zinc/50/91/28/1031509128.db2.gz IGXZIRKDQJSZNX-UNEWFSDZSA-N 2 1 344.421 3.793 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000527992440 1031551458 /nfs/dbraw/zinc/55/14/58/1031551458.db2.gz DDYQPEPRADGUMD-HQRMLTQVSA-N 2 1 329.463 3.620 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000528006926 1031574302 /nfs/dbraw/zinc/57/43/02/1031574302.db2.gz AJYQRKCHKSSWCE-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006926 1031574315 /nfs/dbraw/zinc/57/43/15/1031574315.db2.gz AJYQRKCHKSSWCE-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528006926 1031574344 /nfs/dbraw/zinc/57/43/44/1031574344.db2.gz AJYQRKCHKSSWCE-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528006926 1031574359 /nfs/dbraw/zinc/57/43/59/1031574359.db2.gz AJYQRKCHKSSWCE-COPCDDAFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073040 1031618125 /nfs/dbraw/zinc/61/81/25/1031618125.db2.gz CHRFQHGVUXLTJD-PXNSSMCTSA-N 2 1 348.494 3.657 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccoc3)CC2)cs1 ZINC000178092869 1031624214 /nfs/dbraw/zinc/62/42/14/1031624214.db2.gz UGFBXQCRGASROL-AWEZNQCLSA-N 2 1 333.501 3.861 20 0 EHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178248863 1031646136 /nfs/dbraw/zinc/64/61/36/1031646136.db2.gz HEEPISVDGIMZLL-APWZRJJASA-N 2 1 337.467 3.557 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cccn2C)C1 ZINC000343632464 1031728453 /nfs/dbraw/zinc/72/84/53/1031728453.db2.gz SNZJXVSITFKJSK-HDICACEKSA-N 2 1 325.500 3.793 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180108401 1031802320 /nfs/dbraw/zinc/80/23/20/1031802320.db2.gz NZGBZIVJSZWYGJ-VEEZFSHISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180108401 1031802332 /nfs/dbraw/zinc/80/23/32/1031802332.db2.gz NZGBZIVJSZWYGJ-VEEZFSHISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180108401 1031802346 /nfs/dbraw/zinc/80/23/46/1031802346.db2.gz NZGBZIVJSZWYGJ-VEEZFSHISA-N 2 1 341.543 3.504 20 0 EHADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159106021 1031872678 /nfs/dbraw/zinc/87/26/78/1031872678.db2.gz HCVLGISZONTYGY-MRXNPFEDSA-N 2 1 336.545 3.950 20 0 EHADMP Fc1cccc(F)c1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000459403178 1032045845 /nfs/dbraw/zinc/04/58/45/1032045845.db2.gz GMDOLUOKOXRRKB-UHFFFAOYSA-N 2 1 334.454 3.993 20 0 EHADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000628182208 1032053197 /nfs/dbraw/zinc/05/31/97/1032053197.db2.gz IYSXWZHOKQQUEI-INIZCTEOSA-N 2 1 326.406 3.666 20 0 EHADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1OC ZINC000685411188 1033298000 /nfs/dbraw/zinc/29/80/00/1033298000.db2.gz YTPVRRJWNXXNOH-UHFFFAOYSA-N 2 1 334.504 3.564 20 0 EHADMP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(Cl)c1OC ZINC000061003193 1033418063 /nfs/dbraw/zinc/41/80/63/1033418063.db2.gz LIQHBJDCXWGBTH-UHFFFAOYSA-N 2 1 340.895 3.756 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657902038 1033448342 /nfs/dbraw/zinc/44/83/42/1033448342.db2.gz ZQFKMDXQIWTKNH-WYNBGMTASA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657902038 1033448345 /nfs/dbraw/zinc/44/83/45/1033448345.db2.gz ZQFKMDXQIWTKNH-WYNBGMTASA-N 2 1 330.516 3.834 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708584868 1033574239 /nfs/dbraw/zinc/57/42/39/1033574239.db2.gz FHJRUDGNZLZZNZ-AYWYSENESA-N 2 1 342.527 3.692 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608499825 1033733471 /nfs/dbraw/zinc/73/34/71/1033733471.db2.gz VHPLWPDADNKJGD-MRXNPFEDSA-N 2 1 342.405 3.893 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608499825 1033733487 /nfs/dbraw/zinc/73/34/87/1033733487.db2.gz VHPLWPDADNKJGD-MRXNPFEDSA-N 2 1 342.405 3.893 20 0 EHADMP CCCn1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000574968175 1033744245 /nfs/dbraw/zinc/74/42/45/1033744245.db2.gz OSWQHRWMDHQOSN-VXKWHMMOSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000574968175 1033744260 /nfs/dbraw/zinc/74/42/60/1033744260.db2.gz OSWQHRWMDHQOSN-VXKWHMMOSA-N 2 1 337.511 3.852 20 0 EHADMP CCCn1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000574968175 1033744279 /nfs/dbraw/zinc/74/42/79/1033744279.db2.gz OSWQHRWMDHQOSN-VXKWHMMOSA-N 2 1 337.511 3.852 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccn21 ZINC000574994034 1033755125 /nfs/dbraw/zinc/75/51/25/1033755125.db2.gz LEQBCWZZXKSBGE-KRWDZBQOSA-N 2 1 328.504 3.668 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccn21 ZINC000574994034 1033755144 /nfs/dbraw/zinc/75/51/44/1033755144.db2.gz LEQBCWZZXKSBGE-KRWDZBQOSA-N 2 1 328.504 3.668 20 0 EHADMP Cc1ccc([C@H](C)C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000628233622 1033785902 /nfs/dbraw/zinc/78/59/02/1033785902.db2.gz MLZOOOAMXKINSD-MRXNPFEDSA-N 2 1 338.499 3.764 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550680011 1033852480 /nfs/dbraw/zinc/85/24/80/1033852480.db2.gz GITNOROLUWKNCK-DXBBTUNJSA-N 2 1 336.479 3.942 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550680011 1033852487 /nfs/dbraw/zinc/85/24/87/1033852487.db2.gz GITNOROLUWKNCK-DXBBTUNJSA-N 2 1 336.479 3.942 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658061946 1033877455 /nfs/dbraw/zinc/87/74/55/1033877455.db2.gz PWYAJMWWNTXODW-GHTZIAJQSA-N 2 1 343.559 3.544 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000658061946 1033877469 /nfs/dbraw/zinc/87/74/69/1033877469.db2.gz PWYAJMWWNTXODW-GHTZIAJQSA-N 2 1 343.559 3.544 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCOCC3)[C@@H]1c1cccs1 ZINC000548858196 1033886755 /nfs/dbraw/zinc/88/67/55/1033886755.db2.gz WVKLYXCYRQJQBA-BPQIPLTHSA-N 2 1 334.529 3.680 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCOCC3)[C@@H]1c1cccs1 ZINC000548858196 1033886773 /nfs/dbraw/zinc/88/67/73/1033886773.db2.gz WVKLYXCYRQJQBA-BPQIPLTHSA-N 2 1 334.529 3.680 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C)c1 ZINC000658134717 1033969940 /nfs/dbraw/zinc/96/99/40/1033969940.db2.gz BGMFAEXPCFSTKM-FGZHOGPDSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000658146081 1033991746 /nfs/dbraw/zinc/99/17/46/1033991746.db2.gz USVAFIYRCGKFLS-AVRDEDQJSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@H]1CCC[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000658215618 1034097817 /nfs/dbraw/zinc/09/78/17/1034097817.db2.gz KBCFUQOKYRYVGT-RLHVNXBHSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537326 1034167484 /nfs/dbraw/zinc/16/74/84/1034167484.db2.gz DHYTYMGNXDZDRI-ZIAGYGMSSA-N 2 1 328.472 3.984 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537326 1034167491 /nfs/dbraw/zinc/16/74/91/1034167491.db2.gz DHYTYMGNXDZDRI-ZIAGYGMSSA-N 2 1 328.472 3.984 20 0 EHADMP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC000529552263 1034185036 /nfs/dbraw/zinc/18/50/36/1034185036.db2.gz MHKTXMXSSXXVKI-UHFFFAOYSA-N 2 1 342.405 3.774 20 0 EHADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC000529552263 1034185044 /nfs/dbraw/zinc/18/50/44/1034185044.db2.gz MHKTXMXSSXXVKI-UHFFFAOYSA-N 2 1 342.405 3.774 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001168121524 1034373925 /nfs/dbraw/zinc/37/39/25/1034373925.db2.gz LYZKXRYBOYUHKO-DSJDWBEOSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001168121524 1034373941 /nfs/dbraw/zinc/37/39/41/1034373941.db2.gz LYZKXRYBOYUHKO-DSJDWBEOSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CCO1 ZINC001168121524 1034373957 /nfs/dbraw/zinc/37/39/57/1034373957.db2.gz LYZKXRYBOYUHKO-DSJDWBEOSA-N 2 1 348.556 3.848 20 0 EHADMP COc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)c1OC ZINC000340190464 1034441896 /nfs/dbraw/zinc/44/18/96/1034441896.db2.gz GMWBIBVNXWSXRD-RBUKOAKNSA-N 2 1 340.467 3.629 20 0 EHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604773152 1034487810 /nfs/dbraw/zinc/48/78/10/1034487810.db2.gz COWQUPJJPUSAOH-LNLFQRSKSA-N 2 1 347.547 3.517 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340362439 1034493654 /nfs/dbraw/zinc/49/36/54/1034493654.db2.gz UXPRJAOCPXDUJO-SFHLNBCPSA-N 2 1 342.483 3.652 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340362439 1034493661 /nfs/dbraw/zinc/49/36/61/1034493661.db2.gz UXPRJAOCPXDUJO-SFHLNBCPSA-N 2 1 342.483 3.652 20 0 EHADMP C[NH+](C)C(C)(C)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924539709 1034812933 /nfs/dbraw/zinc/81/29/33/1034812933.db2.gz GKABTBSRJRUILC-IHWFROFDSA-N 2 1 329.532 3.502 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481004 1034925223 /nfs/dbraw/zinc/92/52/23/1034925223.db2.gz OQEMTTKVRIBGNQ-RBUKOAKNSA-N 2 1 346.515 3.838 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647481004 1034925227 /nfs/dbraw/zinc/92/52/27/1034925227.db2.gz OQEMTTKVRIBGNQ-RBUKOAKNSA-N 2 1 346.515 3.838 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000531139966 1034995347 /nfs/dbraw/zinc/99/53/47/1034995347.db2.gz MFAYZWQJSGSFKP-QZTJIDSGSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000531139966 1034995352 /nfs/dbraw/zinc/99/53/52/1034995352.db2.gz MFAYZWQJSGSFKP-QZTJIDSGSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000531139966 1034995359 /nfs/dbraw/zinc/99/53/59/1034995359.db2.gz MFAYZWQJSGSFKP-QZTJIDSGSA-N 2 1 334.504 3.659 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCc2cccc(C(F)(F)F)c2)C1 ZINC000628281293 1035075431 /nfs/dbraw/zinc/07/54/31/1035075431.db2.gz MULGCBAOJADIEE-WBVHZDCISA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCc2cccc(C(F)(F)F)c2)C1 ZINC000628281293 1035075436 /nfs/dbraw/zinc/07/54/36/1035075436.db2.gz MULGCBAOJADIEE-WBVHZDCISA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCc2cccc(C(F)(F)F)c2)C1 ZINC000628281293 1035075444 /nfs/dbraw/zinc/07/54/44/1035075444.db2.gz MULGCBAOJADIEE-WBVHZDCISA-N 2 1 326.406 3.664 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccn(C)n1 ZINC000414073651 1035447343 /nfs/dbraw/zinc/44/73/43/1035447343.db2.gz WECZHIFWBQJICY-KRWDZBQOSA-N 2 1 326.488 3.503 20 0 EHADMP OCCCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291406095 1035452123 /nfs/dbraw/zinc/45/21/23/1035452123.db2.gz FUEMIRIDVGVIHY-UHFFFAOYSA-N 2 1 330.516 3.527 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000414078955 1035454345 /nfs/dbraw/zinc/45/43/45/1035454345.db2.gz BNERDFLVKQTTRH-UEXGIBASSA-N 2 1 348.531 3.791 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230511 1035507621 /nfs/dbraw/zinc/50/76/21/1035507621.db2.gz XSKKKRVKAPBMFO-VURPSTOHSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230511 1035507623 /nfs/dbraw/zinc/50/76/23/1035507623.db2.gz XSKKKRVKAPBMFO-VURPSTOHSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230511 1035507632 /nfs/dbraw/zinc/50/76/32/1035507632.db2.gz XSKKKRVKAPBMFO-VURPSTOHSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000491230511 1035507635 /nfs/dbraw/zinc/50/76/35/1035507635.db2.gz XSKKKRVKAPBMFO-VURPSTOHSA-N 2 1 330.516 3.786 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000429781891 1035516986 /nfs/dbraw/zinc/51/69/86/1035516986.db2.gz FIYUYJWRXVEXMF-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000429781891 1035517003 /nfs/dbraw/zinc/51/70/03/1035517003.db2.gz FIYUYJWRXVEXMF-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000429781891 1035517013 /nfs/dbraw/zinc/51/70/13/1035517013.db2.gz FIYUYJWRXVEXMF-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC(C)[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000540653898 1035529325 /nfs/dbraw/zinc/52/93/25/1035529325.db2.gz QRSXRSXOMZVELY-NRFANRHFSA-N 2 1 343.515 3.747 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000397291173 1035706432 /nfs/dbraw/zinc/70/64/32/1035706432.db2.gz AFNGXIHKCFQTKE-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000397291173 1035706452 /nfs/dbraw/zinc/70/64/52/1035706452.db2.gz AFNGXIHKCFQTKE-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164664981 1035729161 /nfs/dbraw/zinc/72/91/61/1035729161.db2.gz CPBYKLYKOLZNDO-RDJZCZTQSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164664981 1035729167 /nfs/dbraw/zinc/72/91/67/1035729167.db2.gz CPBYKLYKOLZNDO-RDJZCZTQSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164664981 1035729174 /nfs/dbraw/zinc/72/91/74/1035729174.db2.gz CPBYKLYKOLZNDO-RDJZCZTQSA-N 2 1 327.497 3.744 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414175428 1035899411 /nfs/dbraw/zinc/89/94/11/1035899411.db2.gz IFRWMFDGQSYHHI-IAGOWNOFSA-N 2 1 346.519 3.599 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000414200625 1036025001 /nfs/dbraw/zinc/02/50/01/1036025001.db2.gz XMRHUUUXSXAUFU-JXFKEZNVSA-N 2 1 327.447 3.632 20 0 EHADMP Cc1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000760711846 1036136981 /nfs/dbraw/zinc/13/69/81/1036136981.db2.gz BBSYGJCRVBCQGK-QWHZDKJVSA-N 2 1 329.513 3.698 20 0 EHADMP Cc1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000760711846 1036136989 /nfs/dbraw/zinc/13/69/89/1036136989.db2.gz BBSYGJCRVBCQGK-QWHZDKJVSA-N 2 1 329.513 3.698 20 0 EHADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000549040981 1036178854 /nfs/dbraw/zinc/17/88/54/1036178854.db2.gz TZPXRHUSDTVSAU-CTNGQTDRSA-N 2 1 330.516 3.818 20 0 EHADMP COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nc1 ZINC000892579946 1036256212 /nfs/dbraw/zinc/25/62/12/1036256212.db2.gz DLNHQTJUDFPMGU-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nc1 ZINC000892579946 1036256231 /nfs/dbraw/zinc/25/62/31/1036256231.db2.gz DLNHQTJUDFPMGU-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nc1 ZINC000892579946 1036256251 /nfs/dbraw/zinc/25/62/51/1036256251.db2.gz DLNHQTJUDFPMGU-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000414257305 1036311959 /nfs/dbraw/zinc/31/19/59/1036311959.db2.gz GTKKRPVRCWRSIR-PXNSSMCTSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414257305 1036311978 /nfs/dbraw/zinc/31/19/78/1036311978.db2.gz GTKKRPVRCWRSIR-PXNSSMCTSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000414255365 1036317909 /nfs/dbraw/zinc/31/79/09/1036317909.db2.gz JLAQLLBVYLXKTE-UHFFFAOYSA-N 2 1 344.478 3.719 20 0 EHADMP COc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)cc1O ZINC000192066419 1036462999 /nfs/dbraw/zinc/46/29/99/1036462999.db2.gz UDPBNVKEXHLBMV-UHFFFAOYSA-N 2 1 337.423 3.527 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644407 1036546342 /nfs/dbraw/zinc/54/63/42/1036546342.db2.gz GMRULINRNSXHRS-BUVFEPMLSA-N 2 1 335.495 3.899 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644407 1036546360 /nfs/dbraw/zinc/54/63/60/1036546360.db2.gz GMRULINRNSXHRS-BUVFEPMLSA-N 2 1 335.495 3.899 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC(C)(C)C[C@@H]3C)CC2)oc1C ZINC000193134212 1036590195 /nfs/dbraw/zinc/59/01/95/1036590195.db2.gz RIQQZTNQMSKLAK-KBXCAEBGSA-N 2 1 333.520 3.918 20 0 EHADMP COCC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000414316412 1036635845 /nfs/dbraw/zinc/63/58/45/1036635845.db2.gz UNTHKBIPQYXNBS-ARZFCEMVSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2ccncc2)CC1 ZINC000462321977 1036829795 /nfs/dbraw/zinc/82/97/95/1036829795.db2.gz PAASKLJOJGYLMW-LJQANCHMSA-N 2 1 329.532 3.991 20 0 EHADMP C[C@@H](CCc1ccccc1)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539530652 1036887890 /nfs/dbraw/zinc/88/78/90/1036887890.db2.gz LJVGWEFCTFQONN-FQEVSTJZSA-N 2 1 344.543 3.880 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310867246 1036917227 /nfs/dbraw/zinc/91/72/27/1036917227.db2.gz SPOJPQXMTKHHLC-WMZOPIPTSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310867246 1036917241 /nfs/dbraw/zinc/91/72/41/1036917241.db2.gz SPOJPQXMTKHHLC-WMZOPIPTSA-N 2 1 342.458 3.835 20 0 EHADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311241390 1036979508 /nfs/dbraw/zinc/97/95/08/1036979508.db2.gz WSOORHWSSHNASI-GOSISDBHSA-N 2 1 342.458 3.923 20 0 EHADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311241390 1036979532 /nfs/dbraw/zinc/97/95/32/1036979532.db2.gz WSOORHWSSHNASI-GOSISDBHSA-N 2 1 342.458 3.923 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2C)[C@H](C)C1 ZINC000178180310 1037007088 /nfs/dbraw/zinc/00/70/88/1037007088.db2.gz WARBBUQKDVXPJU-TZIWHRDSSA-N 2 1 332.532 3.654 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000311792507 1037042194 /nfs/dbraw/zinc/04/21/94/1037042194.db2.gz YNOOAMQAJMZFBJ-WZRBSPASSA-N 2 1 341.318 3.714 20 0 EHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000311792507 1037042207 /nfs/dbraw/zinc/04/22/07/1037042207.db2.gz YNOOAMQAJMZFBJ-WZRBSPASSA-N 2 1 341.318 3.714 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(F)c1 ZINC000590786362 1037051337 /nfs/dbraw/zinc/05/13/37/1037051337.db2.gz UBHHEYDANHHRES-MRXNPFEDSA-N 2 1 349.494 3.513 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC000590786362 1037051339 /nfs/dbraw/zinc/05/13/39/1037051339.db2.gz UBHHEYDANHHRES-MRXNPFEDSA-N 2 1 349.494 3.513 20 0 EHADMP c1coc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000647543351 1037090934 /nfs/dbraw/zinc/09/09/34/1037090934.db2.gz LPIQGILVKUFPMK-HUUCEWRRSA-N 2 1 331.485 3.615 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000311092742 1037204543 /nfs/dbraw/zinc/20/45/43/1037204543.db2.gz ZDSNKEDRACATMW-CTNGQTDRSA-N 3 1 343.559 3.609 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835666 1037262508 /nfs/dbraw/zinc/26/25/08/1037262508.db2.gz LPIAQNFQMKGEOM-MRXNPFEDSA-N 2 1 326.431 3.637 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835666 1037262518 /nfs/dbraw/zinc/26/25/18/1037262518.db2.gz LPIAQNFQMKGEOM-MRXNPFEDSA-N 2 1 326.431 3.637 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835666 1037262527 /nfs/dbraw/zinc/26/25/27/1037262527.db2.gz LPIAQNFQMKGEOM-MRXNPFEDSA-N 2 1 326.431 3.637 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)F)cc1 ZINC000539835666 1037262541 /nfs/dbraw/zinc/26/25/41/1037262541.db2.gz LPIAQNFQMKGEOM-MRXNPFEDSA-N 2 1 326.431 3.637 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000539850317 1037281485 /nfs/dbraw/zinc/28/14/85/1037281485.db2.gz IZGHMTSUGFLWCP-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000539850317 1037281500 /nfs/dbraw/zinc/28/15/00/1037281500.db2.gz IZGHMTSUGFLWCP-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539850317 1037281514 /nfs/dbraw/zinc/28/15/14/1037281514.db2.gz IZGHMTSUGFLWCP-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539850317 1037281525 /nfs/dbraw/zinc/28/15/25/1037281525.db2.gz IZGHMTSUGFLWCP-GOSISDBHSA-N 2 1 338.499 3.549 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000539852518 1037295547 /nfs/dbraw/zinc/29/55/47/1037295547.db2.gz UFLKYTJAMLPPFM-PMACEKPBSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000539852518 1037295562 /nfs/dbraw/zinc/29/55/62/1037295562.db2.gz UFLKYTJAMLPPFM-PMACEKPBSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000539852518 1037295582 /nfs/dbraw/zinc/29/55/82/1037295582.db2.gz UFLKYTJAMLPPFM-PMACEKPBSA-N 2 1 330.516 3.503 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1N(C)C ZINC000539854509 1037296703 /nfs/dbraw/zinc/29/67/03/1037296703.db2.gz HDMJHNIWZRZJTF-SFHVURJKSA-N 2 1 337.511 3.852 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1N(C)C ZINC000539854509 1037296719 /nfs/dbraw/zinc/29/67/19/1037296719.db2.gz HDMJHNIWZRZJTF-SFHVURJKSA-N 2 1 337.511 3.852 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)[C@@H](C)C1 ZINC000532464386 1037368245 /nfs/dbraw/zinc/36/82/45/1037368245.db2.gz CUWLWTIEQAMIDQ-PXNSSMCTSA-N 2 1 348.494 3.845 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000462797241 1037392345 /nfs/dbraw/zinc/39/23/45/1037392345.db2.gz CGXLVNLJPUIZGB-FDKIHUSFSA-N 2 1 336.564 3.929 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)Cc1ccccc1 ZINC000462796667 1037410820 /nfs/dbraw/zinc/41/08/20/1037410820.db2.gz USGKMUWTHCBOQH-PCCBWWKXSA-N 2 1 330.516 3.693 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000462806667 1037425588 /nfs/dbraw/zinc/42/55/88/1037425588.db2.gz JZRMZTSQMKQTEP-VXSCBNMQSA-N 2 1 342.527 3.692 20 0 EHADMP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328381 1037469618 /nfs/dbraw/zinc/46/96/18/1037469618.db2.gz KNWQDQRNHBQNCF-CVEARBPZSA-N 2 1 345.874 3.817 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1sccc1Br ZINC000532475984 1037486754 /nfs/dbraw/zinc/48/67/54/1037486754.db2.gz XMAGLRHNSZCMLA-SNVBAGLBSA-N 2 1 328.279 3.756 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494652 1037541447 /nfs/dbraw/zinc/54/14/47/1037541447.db2.gz QILBFNBVCQQFMK-QFBILLFUSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494652 1037541451 /nfs/dbraw/zinc/54/14/51/1037541451.db2.gz QILBFNBVCQQFMK-QFBILLFUSA-N 2 1 336.545 3.755 20 0 EHADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OCc1ccccc1 ZINC000491595405 1037575689 /nfs/dbraw/zinc/57/56/89/1037575689.db2.gz ZTFFDPDPZNQPDH-KRWDZBQOSA-N 2 1 342.483 3.562 20 0 EHADMP C[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[NH+](C)C ZINC000491596479 1037577943 /nfs/dbraw/zinc/57/79/43/1037577943.db2.gz KTNJYRKIDJAVJJ-LLVKDONJSA-N 2 1 329.271 3.557 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148485 1037606657 /nfs/dbraw/zinc/60/66/57/1037606657.db2.gz PXBZPLWLWXBRIB-IAGOWNOFSA-N 2 1 335.511 3.910 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148485 1037606668 /nfs/dbraw/zinc/60/66/68/1037606668.db2.gz PXBZPLWLWXBRIB-IAGOWNOFSA-N 2 1 335.511 3.910 20 0 EHADMP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000415940717 1037687072 /nfs/dbraw/zinc/68/70/72/1037687072.db2.gz FNFCAWUVWKPFEJ-KRWDZBQOSA-N 2 1 346.519 3.572 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493905115 1037701709 /nfs/dbraw/zinc/70/17/09/1037701709.db2.gz GOFJLSYDIHZHTC-INIZCTEOSA-N 2 1 337.305 3.819 20 0 EHADMP C[C@H]1C[C@@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463069043 1037731310 /nfs/dbraw/zinc/73/13/10/1037731310.db2.gz UTYBJQDSZOIELJ-FPOVZHCZSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]1C[C@@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069043 1037731329 /nfs/dbraw/zinc/73/13/29/1037731329.db2.gz UTYBJQDSZOIELJ-FPOVZHCZSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]1C[C@@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069043 1037731350 /nfs/dbraw/zinc/73/13/50/1037731350.db2.gz UTYBJQDSZOIELJ-FPOVZHCZSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463081801 1037731560 /nfs/dbraw/zinc/73/15/60/1037731560.db2.gz GELLZGMQZXQCEZ-CEXWTWQISA-N 2 1 329.532 3.611 20 0 EHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463081801 1037731580 /nfs/dbraw/zinc/73/15/80/1037731580.db2.gz GELLZGMQZXQCEZ-CEXWTWQISA-N 2 1 329.532 3.611 20 0 EHADMP CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000573725716 1037736165 /nfs/dbraw/zinc/73/61/65/1037736165.db2.gz MMNZHPPWXQVIKQ-UHFFFAOYSA-N 2 1 342.531 3.801 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000573812858 1037757283 /nfs/dbraw/zinc/75/72/83/1037757283.db2.gz BOQUONQMGGNOPE-BBWFWOEESA-N 2 1 341.524 3.775 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133231 1037795040 /nfs/dbraw/zinc/79/50/40/1037795040.db2.gz RPQGEFLRBMYXEU-IEBWSBKVSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133231 1037795063 /nfs/dbraw/zinc/79/50/63/1037795063.db2.gz RPQGEFLRBMYXEU-IEBWSBKVSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000463139364 1037801116 /nfs/dbraw/zinc/80/11/16/1037801116.db2.gz CLXBKLQEFKQYGD-KCZVDYSFSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463139364 1037801135 /nfs/dbraw/zinc/80/11/35/1037801135.db2.gz CLXBKLQEFKQYGD-KCZVDYSFSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463139364 1037801149 /nfs/dbraw/zinc/80/11/49/1037801149.db2.gz CLXBKLQEFKQYGD-KCZVDYSFSA-N 2 1 343.559 3.894 20 0 EHADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463139037 1037801946 /nfs/dbraw/zinc/80/19/46/1037801946.db2.gz BTLNKSQUDXQKEG-RBBKRZOGSA-N 2 1 343.559 3.751 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463149287 1037818639 /nfs/dbraw/zinc/81/86/39/1037818639.db2.gz YKHLSZUVOMVMPR-NQIIRXRSSA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463149287 1037818665 /nfs/dbraw/zinc/81/86/65/1037818665.db2.gz YKHLSZUVOMVMPR-NQIIRXRSSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182849112 1037921078 /nfs/dbraw/zinc/92/10/78/1037921078.db2.gz HEVYDBBMVQNMME-GOSISDBHSA-N 2 1 330.516 3.655 20 0 EHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182950622 1037923883 /nfs/dbraw/zinc/92/38/83/1037923883.db2.gz DRYULFSCQXNIBB-AWEZNQCLSA-N 2 1 344.330 3.624 20 0 EHADMP C[C@@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463284627 1037968905 /nfs/dbraw/zinc/96/89/05/1037968905.db2.gz HIXJIUKSFMEZDS-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP Cc1nc(C(F)(F)F)ccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001141430789 1037974338 /nfs/dbraw/zinc/97/43/38/1037974338.db2.gz MWVCMUQMECXFKD-UHFFFAOYSA-N 2 1 343.437 3.961 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000124664228 1038219394 /nfs/dbraw/zinc/21/93/94/1038219394.db2.gz NLSXHKWXTMJKSH-VQTJNVASSA-N 2 1 328.500 3.588 20 0 EHADMP C[N@H+]1CC[C@H](NCc2csc(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000367613223 1038280182 /nfs/dbraw/zinc/28/01/82/1038280182.db2.gz BXJLDCSNJXKVAR-BZSNNMDCSA-N 2 1 327.497 3.773 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000367613223 1038280189 /nfs/dbraw/zinc/28/01/89/1038280189.db2.gz BXJLDCSNJXKVAR-BZSNNMDCSA-N 2 1 327.497 3.773 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000367613223 1038280199 /nfs/dbraw/zinc/28/01/99/1038280199.db2.gz BXJLDCSNJXKVAR-BZSNNMDCSA-N 2 1 327.497 3.773 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000125201605 1038292542 /nfs/dbraw/zinc/29/25/42/1038292542.db2.gz DYVIRJNYZLTTAW-OXJNMPFZSA-N 2 1 338.499 3.613 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCc2ccncc2)CC3)cc1 ZINC000378301851 1038424612 /nfs/dbraw/zinc/42/46/12/1038424612.db2.gz QFUHWSYOYOENPX-UHFFFAOYSA-N 2 1 335.495 3.612 20 0 EHADMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000538726572 1038508203 /nfs/dbraw/zinc/50/82/03/1038508203.db2.gz FKQILFJNHPXVRM-IEBWSBKVSA-N 2 1 329.532 3.837 20 0 EHADMP CCn1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893225444 1038582166 /nfs/dbraw/zinc/58/21/66/1038582166.db2.gz LGXBIAUKRMIANQ-FXAWDEMLSA-N 2 1 340.515 3.602 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000539039224 1038649431 /nfs/dbraw/zinc/64/94/31/1038649431.db2.gz AGJMJPYGFUMHHZ-TYNCELHUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000539039224 1038649435 /nfs/dbraw/zinc/64/94/35/1038649435.db2.gz AGJMJPYGFUMHHZ-TYNCELHUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000539053045 1038656228 /nfs/dbraw/zinc/65/62/28/1038656228.db2.gz OLVPSGKIPIIKMX-ZBFHGGJFSA-N 2 1 346.462 3.925 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000539053045 1038656231 /nfs/dbraw/zinc/65/62/31/1038656231.db2.gz OLVPSGKIPIIKMX-ZBFHGGJFSA-N 2 1 346.462 3.925 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059092 1038659991 /nfs/dbraw/zinc/65/99/91/1038659991.db2.gz MPUVVGWBVUDJLZ-FXAWDEMLSA-N 2 1 348.494 3.514 20 0 EHADMP C[C@H]([NH2+]CCCc1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378561792 1038721058 /nfs/dbraw/zinc/72/10/58/1038721058.db2.gz PHNGQFPCEUFJFX-WMZOPIPTSA-N 2 1 329.513 3.576 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363918182 1038923664 /nfs/dbraw/zinc/92/36/64/1038923664.db2.gz BQRMHQUCNNWXJA-USXIJHARSA-N 2 1 349.906 3.582 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C2)[nH+]1 ZINC000488312332 1039077799 /nfs/dbraw/zinc/07/77/99/1039077799.db2.gz JWSWTOHXDDHPEE-OAHLLOKOSA-N 2 1 338.430 3.944 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)[nH+]1 ZINC000488312332 1039077812 /nfs/dbraw/zinc/07/78/12/1039077812.db2.gz JWSWTOHXDDHPEE-OAHLLOKOSA-N 2 1 338.430 3.944 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCCOC1 ZINC000898517662 1039185879 /nfs/dbraw/zinc/18/58/79/1039185879.db2.gz BDPVQVPVWHDINM-WFMNFSIZSA-N 2 1 342.527 3.692 20 0 EHADMP c1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522515 1039198503 /nfs/dbraw/zinc/19/85/03/1039198503.db2.gz PUABYIQWWYRLNO-FGTMMUONSA-N 2 1 327.497 3.533 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219905 1039317683 /nfs/dbraw/zinc/31/76/83/1039317683.db2.gz DJXUUBLBUYZWAO-UGKGYDQZSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219905 1039317701 /nfs/dbraw/zinc/31/77/01/1039317701.db2.gz DJXUUBLBUYZWAO-UGKGYDQZSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCCC[NH2+]3)nc2)cc1 ZINC000906159635 1039330631 /nfs/dbraw/zinc/33/06/31/1039330631.db2.gz UNKCGHTVYGKAEN-UZLBHIALSA-N 2 1 336.483 3.943 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)ccc1F ZINC000237530409 1039383963 /nfs/dbraw/zinc/38/39/63/1039383963.db2.gz XXWWSFUABBRDSH-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000237544908 1039386683 /nfs/dbraw/zinc/38/66/83/1039386683.db2.gz CIOMQYZSQZKJCL-GFCCVEGCSA-N 2 1 327.350 3.516 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000431919294 1039393368 /nfs/dbraw/zinc/39/33/68/1039393368.db2.gz BFNDTHLJZVJJMH-HXUWFJFHSA-N 2 1 343.515 3.876 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C3CC3)no2)CC1)CC1CC1 ZINC000660168658 1039512433 /nfs/dbraw/zinc/51/24/33/1039512433.db2.gz YILBJVYJADUWTI-UHFFFAOYSA-N 2 1 331.504 3.886 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1OC(F)F ZINC000062427141 1039534324 /nfs/dbraw/zinc/53/43/24/1039534324.db2.gz WVYUXBOGNYRYEX-AWEZNQCLSA-N 2 1 342.430 3.507 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1OC(F)F ZINC000062427141 1039534339 /nfs/dbraw/zinc/53/43/39/1039534339.db2.gz WVYUXBOGNYRYEX-AWEZNQCLSA-N 2 1 342.430 3.507 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000480562044 1039700001 /nfs/dbraw/zinc/70/00/01/1039700001.db2.gz IMAOLGNPJGRKNO-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562044 1039700007 /nfs/dbraw/zinc/70/00/07/1039700007.db2.gz IMAOLGNPJGRKNO-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562044 1039700014 /nfs/dbraw/zinc/70/00/14/1039700014.db2.gz IMAOLGNPJGRKNO-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000480565610 1039704959 /nfs/dbraw/zinc/70/49/59/1039704959.db2.gz WDXWCYOIWVSPNE-PWRODBHTSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000480565610 1039704975 /nfs/dbraw/zinc/70/49/75/1039704975.db2.gz WDXWCYOIWVSPNE-PWRODBHTSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000480565610 1039704989 /nfs/dbraw/zinc/70/49/89/1039704989.db2.gz WDXWCYOIWVSPNE-PWRODBHTSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614682 1039758490 /nfs/dbraw/zinc/75/84/90/1039758490.db2.gz NVFYWCZGAULEGU-XKQJLSEDSA-N 2 1 342.405 3.905 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614682 1039758509 /nfs/dbraw/zinc/75/85/09/1039758509.db2.gz NVFYWCZGAULEGU-XKQJLSEDSA-N 2 1 342.405 3.905 20 0 EHADMP c1[nH]nc2c1cccc2C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016646 1039840843 /nfs/dbraw/zinc/84/08/43/1039840843.db2.gz ZEERRNFRQGJLQI-KRWDZBQOSA-N 2 1 326.488 3.651 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000894036895 1040013700 /nfs/dbraw/zinc/01/37/00/1040013700.db2.gz AQQWCAIYDONOAF-SFHVURJKSA-N 2 1 325.456 3.790 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000894036895 1040013715 /nfs/dbraw/zinc/01/37/15/1040013715.db2.gz AQQWCAIYDONOAF-SFHVURJKSA-N 2 1 325.456 3.790 20 0 EHADMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)C1 ZINC000488754669 1040107003 /nfs/dbraw/zinc/10/70/03/1040107003.db2.gz VDDYEKBPPNCWIK-KRWDZBQOSA-N 2 1 335.373 3.786 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)C1 ZINC000488754669 1040107012 /nfs/dbraw/zinc/10/70/12/1040107012.db2.gz VDDYEKBPPNCWIK-KRWDZBQOSA-N 2 1 335.373 3.786 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)s2)o1 ZINC000480930142 1040180965 /nfs/dbraw/zinc/18/09/65/1040180965.db2.gz RBLDSZRPIXYXFZ-UHFFFAOYSA-N 2 1 333.501 3.923 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000481018114 1040271089 /nfs/dbraw/zinc/27/10/89/1040271089.db2.gz DQXXGGJGIQLUKB-RHSMWYFYSA-N 2 1 344.421 3.714 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000481018114 1040271102 /nfs/dbraw/zinc/27/11/02/1040271102.db2.gz DQXXGGJGIQLUKB-RHSMWYFYSA-N 2 1 344.421 3.714 20 0 EHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479515282 1040334034 /nfs/dbraw/zinc/33/40/34/1040334034.db2.gz IGEWQISCTKRCJK-XVAXZDLZSA-N 2 1 330.516 3.834 20 0 EHADMP COC(=O)c1sccc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000893327159 1040357557 /nfs/dbraw/zinc/35/75/57/1040357557.db2.gz HKCKVHCUOKXMJR-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP COC(=O)c1sccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000893327159 1040357572 /nfs/dbraw/zinc/35/75/72/1040357572.db2.gz HKCKVHCUOKXMJR-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)nc1 ZINC000893328108 1040397278 /nfs/dbraw/zinc/39/72/78/1040397278.db2.gz UVRMVRQGEXSAKG-UHFFFAOYSA-N 2 1 339.483 3.612 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000512660147 1040443533 /nfs/dbraw/zinc/44/35/33/1040443533.db2.gz LJJPKECXXLVMBV-XRXFAXGQSA-N 2 1 330.516 3.548 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000479763459 1040602099 /nfs/dbraw/zinc/60/20/99/1040602099.db2.gz BEXZHUFBHRODCK-KRWDZBQOSA-N 2 1 347.547 3.625 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000569823603 1040909025 /nfs/dbraw/zinc/90/90/25/1040909025.db2.gz ADFYLNGECZSTQV-HOTGVXAUSA-N 2 1 345.512 3.715 20 0 EHADMP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000487553964 1040939132 /nfs/dbraw/zinc/93/91/32/1040939132.db2.gz QMEKPKOVDIRIGN-NVXWUHKLSA-N 2 1 334.479 3.967 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000487562902 1040960951 /nfs/dbraw/zinc/96/09/51/1040960951.db2.gz TVFKFQXZCRCSMC-MUGJNUQGSA-N 2 1 330.541 3.630 20 0 EHADMP C([NH2+]C1CCN(CC2CC2)CC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001168365961 1040981525 /nfs/dbraw/zinc/98/15/25/1040981525.db2.gz GXOXOGPEJMMPLT-UHFFFAOYSA-N 2 1 347.591 3.743 20 0 EHADMP CCc1cccc2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)oc21 ZINC000668787152 1041004957 /nfs/dbraw/zinc/00/49/57/1041004957.db2.gz OILZYIKDJWNBPM-GOSISDBHSA-N 2 1 330.472 3.538 20 0 EHADMP CCc1cccc2cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)oc21 ZINC000668787152 1041004966 /nfs/dbraw/zinc/00/49/66/1041004966.db2.gz OILZYIKDJWNBPM-GOSISDBHSA-N 2 1 330.472 3.538 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)[nH+]1 ZINC000512827812 1041048962 /nfs/dbraw/zinc/04/89/62/1041048962.db2.gz LJYVOIUQWXSNDV-AJNOYIKESA-N 2 1 325.431 3.976 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)[nH+]1 ZINC000512827812 1041048979 /nfs/dbraw/zinc/04/89/79/1041048979.db2.gz LJYVOIUQWXSNDV-AJNOYIKESA-N 2 1 325.431 3.976 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSC(F)(F)F ZINC000398133694 1041075025 /nfs/dbraw/zinc/07/50/25/1041075025.db2.gz KIXUSAYYTSOFQO-DZGCQCFKSA-N 2 1 332.435 3.740 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000390703978 1041332901 /nfs/dbraw/zinc/33/29/01/1041332901.db2.gz UOUCVMCKHBIDAY-BHIFYINESA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000390703978 1041332911 /nfs/dbraw/zinc/33/29/11/1041332911.db2.gz UOUCVMCKHBIDAY-BHIFYINESA-N 2 1 342.527 3.836 20 0 EHADMP CC[N@H+]1CC[C@H](NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)[C@H](C)C1 ZINC000468804610 1041599643 /nfs/dbraw/zinc/59/96/43/1041599643.db2.gz CRKAVETZKSLLET-SBHAEUEKSA-N 2 1 343.559 3.970 20 0 EHADMP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000278839577 1041675013 /nfs/dbraw/zinc/67/50/13/1041675013.db2.gz URGCRQHYNBNVLN-KJJMTIBFSA-N 2 1 336.479 3.505 20 0 EHADMP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000278839577 1041675015 /nfs/dbraw/zinc/67/50/15/1041675015.db2.gz URGCRQHYNBNVLN-KJJMTIBFSA-N 2 1 336.479 3.505 20 0 EHADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000651673330 1041889633 /nfs/dbraw/zinc/88/96/33/1041889633.db2.gz DZVRWHZVNMEJIP-HXUWFJFHSA-N 2 1 332.532 3.734 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661136135 1041965530 /nfs/dbraw/zinc/96/55/30/1041965530.db2.gz NVSFVHSNAFURSO-UHFFFAOYSA-N 2 1 337.577 3.765 20 0 EHADMP C[C@H](NCc1cc2cnccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651756456 1041998684 /nfs/dbraw/zinc/99/86/84/1041998684.db2.gz YDMWGOJRUXRXML-FUHWJXTLSA-N 2 1 335.451 3.828 20 0 EHADMP C[C@H]([NH2+]Cc1cc2cnccc2o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651756456 1041998692 /nfs/dbraw/zinc/99/86/92/1041998692.db2.gz YDMWGOJRUXRXML-FUHWJXTLSA-N 2 1 335.451 3.828 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)C1 ZINC000652349670 1042408892 /nfs/dbraw/zinc/40/88/92/1042408892.db2.gz YOLNWDLOQNMRAM-DRSNIGMVSA-N 2 1 348.490 3.975 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC(C)(C)CC(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000925734260 1042414809 /nfs/dbraw/zinc/41/48/09/1042414809.db2.gz PMGGYMCASSUWCZ-NVXWUHKLSA-N 2 1 326.431 3.759 20 0 EHADMP Oc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000185529749 1042634790 /nfs/dbraw/zinc/63/47/90/1042634790.db2.gz KPHXFYGBDJKQEW-IHWFROFDSA-N 2 1 340.442 3.817 20 0 EHADMP Oc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000185529749 1042634791 /nfs/dbraw/zinc/63/47/91/1042634791.db2.gz KPHXFYGBDJKQEW-IHWFROFDSA-N 2 1 340.442 3.817 20 0 EHADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1Cl ZINC000662250664 1042634855 /nfs/dbraw/zinc/63/48/55/1042634855.db2.gz LHKGKCWCUJQVLJ-XJKSGUPXSA-N 2 1 341.282 3.651 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000662270459 1042648673 /nfs/dbraw/zinc/64/86/73/1042648673.db2.gz KYHFJVDIERMQGR-NQIIRXRSSA-N 2 1 339.483 3.724 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000662287115 1042659174 /nfs/dbraw/zinc/65/91/74/1042659174.db2.gz WFNBDMQIPZZRJJ-FYKMYLNBSA-N 2 1 342.527 3.789 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298485 1042665958 /nfs/dbraw/zinc/66/59/58/1042665958.db2.gz WIPISPUZRNXJST-MRXNPFEDSA-N 2 1 345.512 3.923 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000278879796 1042817208 /nfs/dbraw/zinc/81/72/08/1042817208.db2.gz XVWBFAYCKBBZIK-HAGHYFMRSA-N 2 1 330.516 3.567 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468902 1042894519 /nfs/dbraw/zinc/89/45/19/1042894519.db2.gz NGTQLMBJMBMTNH-FXAWDEMLSA-N 2 1 330.516 3.728 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000663479433 1042913741 /nfs/dbraw/zinc/91/37/41/1042913741.db2.gz QVQBNSMYYFBNNI-FQEVSTJZSA-N 2 1 348.506 3.726 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccccc2OC)C1 ZINC001167827530 1042970497 /nfs/dbraw/zinc/97/04/97/1042970497.db2.gz XGHGHRJSQCPZDX-QZTJIDSGSA-N 2 1 334.504 3.659 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925786953 1042979046 /nfs/dbraw/zinc/97/90/46/1042979046.db2.gz YCTDDSAAZJBUGT-ZYHUDNBSSA-N 2 1 331.476 3.644 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167838690 1043047590 /nfs/dbraw/zinc/04/75/90/1043047590.db2.gz VZSWWYBSDYENPP-RBBKRZOGSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167838690 1043047599 /nfs/dbraw/zinc/04/75/99/1043047599.db2.gz VZSWWYBSDYENPP-RBBKRZOGSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167838690 1043047606 /nfs/dbraw/zinc/04/76/06/1043047606.db2.gz VZSWWYBSDYENPP-RBBKRZOGSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167838690 1043047614 /nfs/dbraw/zinc/04/76/14/1043047614.db2.gz VZSWWYBSDYENPP-RBBKRZOGSA-N 2 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167838690 1043047620 /nfs/dbraw/zinc/04/76/20/1043047620.db2.gz VZSWWYBSDYENPP-RBBKRZOGSA-N 2 1 345.575 3.951 20 0 EHADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278982180 1043123270 /nfs/dbraw/zinc/12/32/70/1043123270.db2.gz PAHBUAAYGKJMLC-CJNGLKHVSA-N 2 1 331.847 3.602 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCCO1 ZINC000432417017 1043141506 /nfs/dbraw/zinc/14/15/06/1043141506.db2.gz JYVISAUXVKRENM-HMXCVIKNSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCCO1 ZINC000432417017 1043141511 /nfs/dbraw/zinc/14/15/11/1043141511.db2.gz JYVISAUXVKRENM-HMXCVIKNSA-N 2 1 330.516 3.803 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001167842496 1043163434 /nfs/dbraw/zinc/16/34/34/1043163434.db2.gz YELXNVMMORXDHP-DLBZAZTESA-N 2 1 326.525 3.693 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000432426378 1043176380 /nfs/dbraw/zinc/17/63/80/1043176380.db2.gz ZPOLMSSOJZMQMX-ZIAGYGMSSA-N 2 1 328.859 3.631 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc12 ZINC000279027720 1043217846 /nfs/dbraw/zinc/21/78/46/1043217846.db2.gz VSQVWLRZVCIMCK-HZPDHXFCSA-N 2 1 335.451 3.958 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCCS2 ZINC000279049001 1043262615 /nfs/dbraw/zinc/26/26/15/1043262615.db2.gz XVYMRLVTYCTYSJ-RHSMWYFYSA-N 2 1 343.496 3.671 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000344298358 1043620596 /nfs/dbraw/zinc/62/05/96/1043620596.db2.gz NSOCGCMBRFMKIO-CQSZACIVSA-N 2 1 344.890 3.747 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3CCC(F)(F)CC3)sc2C1 ZINC000344330830 1043668727 /nfs/dbraw/zinc/66/87/27/1043668727.db2.gz WAGSFPNZVPVMPU-UHFFFAOYSA-N 2 1 329.460 3.577 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3CCC(F)(F)CC3)sc2C1 ZINC000344330830 1043668734 /nfs/dbraw/zinc/66/87/34/1043668734.db2.gz WAGSFPNZVPVMPU-UHFFFAOYSA-N 2 1 329.460 3.577 20 0 EHADMP Fc1ccccc1Oc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000279565034 1044235915 /nfs/dbraw/zinc/23/59/15/1044235915.db2.gz SFDRHACKOVTXTH-SJORKVTESA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000279565034 1044235926 /nfs/dbraw/zinc/23/59/26/1044235926.db2.gz SFDRHACKOVTXTH-SJORKVTESA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000279565034 1044235936 /nfs/dbraw/zinc/23/59/36/1044235936.db2.gz SFDRHACKOVTXTH-SJORKVTESA-N 2 1 341.430 3.729 20 0 EHADMP CCOC(=O)CCCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000265468910 1125686553 /nfs/dbraw/zinc/68/65/53/1125686553.db2.gz OTRAOZYRJYXNEO-UHFFFAOYSA-N 2 1 346.515 3.706 20 0 EHADMP CCOC(=O)CCCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000265468910 1125686558 /nfs/dbraw/zinc/68/65/58/1125686558.db2.gz OTRAOZYRJYXNEO-UHFFFAOYSA-N 2 1 346.515 3.706 20 0 EHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000154432064 1125718442 /nfs/dbraw/zinc/71/84/42/1125718442.db2.gz NNYYPVPUFNZKDU-GOSISDBHSA-N 2 1 341.499 3.625 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185268001 1126846941 /nfs/dbraw/zinc/84/69/41/1126846941.db2.gz APXQQVAYPAZQIC-ZDUSSCGKSA-N 2 1 325.840 3.602 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185268001 1126846944 /nfs/dbraw/zinc/84/69/44/1126846944.db2.gz APXQQVAYPAZQIC-ZDUSSCGKSA-N 2 1 325.840 3.602 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185268001 1126846947 /nfs/dbraw/zinc/84/69/47/1126846947.db2.gz APXQQVAYPAZQIC-ZDUSSCGKSA-N 2 1 325.840 3.602 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000174514517 1126854842 /nfs/dbraw/zinc/85/48/42/1126854842.db2.gz OIUPMOVOWLYOFS-QFBILLFUSA-N 2 1 342.458 3.977 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000623336979 1126918900 /nfs/dbraw/zinc/91/89/00/1126918900.db2.gz QFTOOCOCLIPKBU-SWLSCSKDSA-N 2 1 325.294 3.973 20 0 EHADMP CCOc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC(F)F ZINC000623362018 1126930228 /nfs/dbraw/zinc/93/02/28/1126930228.db2.gz BRFQSBDVPGGPEG-AWEZNQCLSA-N 2 1 342.430 3.649 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC(F)F ZINC000623362018 1126930231 /nfs/dbraw/zinc/93/02/31/1126930231.db2.gz BRFQSBDVPGGPEG-AWEZNQCLSA-N 2 1 342.430 3.649 20 0 EHADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CCCC2)c1 ZINC000623410213 1126947457 /nfs/dbraw/zinc/94/74/57/1126947457.db2.gz GOUDDBXZYAHLPZ-GOSISDBHSA-N 2 1 330.516 3.969 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623441153 1126956051 /nfs/dbraw/zinc/95/60/51/1126956051.db2.gz FRMFHIKVUBFFHT-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441153 1126956054 /nfs/dbraw/zinc/95/60/54/1126956054.db2.gz FRMFHIKVUBFFHT-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441153 1126956055 /nfs/dbraw/zinc/95/60/55/1126956055.db2.gz FRMFHIKVUBFFHT-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177386239 1126981968 /nfs/dbraw/zinc/98/19/68/1126981968.db2.gz FAADKGPCGWBFOK-LJQANCHMSA-N 2 1 337.939 3.749 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921499992 1127004995 /nfs/dbraw/zinc/00/49/95/1127004995.db2.gz KIAMHYQYPJVLAM-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000921505033 1127109694 /nfs/dbraw/zinc/10/96/94/1127109694.db2.gz YPDAOLAGNWYQKF-UHFFFAOYSA-N 2 1 344.890 3.826 20 0 EHADMP Fc1cc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1Cl ZINC000623800318 1127181714 /nfs/dbraw/zinc/18/17/14/1127181714.db2.gz DRUXEPQUFCZHLN-KBPBESRZSA-N 2 1 335.854 3.719 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000623898854 1127209066 /nfs/dbraw/zinc/20/90/66/1127209066.db2.gz SZLMMWNLHJNHTE-NQBHXWOUSA-N 2 1 349.828 3.757 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000623898854 1127209068 /nfs/dbraw/zinc/20/90/68/1127209068.db2.gz SZLMMWNLHJNHTE-NQBHXWOUSA-N 2 1 349.828 3.757 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623963931 1127223195 /nfs/dbraw/zinc/22/31/95/1127223195.db2.gz UTAYNZBGJGMYTN-QGZVFWFLSA-N 2 1 328.847 3.765 20 0 EHADMP CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624110153 1127253380 /nfs/dbraw/zinc/25/33/80/1127253380.db2.gz QQHCTLJOKZYXST-MXEMCNAFSA-N 2 1 330.516 3.569 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000183140945 1127364615 /nfs/dbraw/zinc/36/46/15/1127364615.db2.gz RZJWCFNEPGWLPX-XPWALMASSA-N 2 1 349.522 3.823 20 0 EHADMP COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183147354 1127364926 /nfs/dbraw/zinc/36/49/26/1127364926.db2.gz HPEXLVOUFHQUNR-HNNXBMFYSA-N 2 1 349.434 3.818 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323139 1127371886 /nfs/dbraw/zinc/37/18/86/1127371886.db2.gz GGFLRGHLNFUQBV-SWLSCSKDSA-N 2 1 331.287 3.582 20 0 EHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000184500632 1127406566 /nfs/dbraw/zinc/40/65/66/1127406566.db2.gz WVTLUKPPIKZACI-RBUKOAKNSA-N 2 1 340.515 3.847 20 0 EHADMP Cc1cnn(CCCCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185762350 1127431458 /nfs/dbraw/zinc/43/14/58/1127431458.db2.gz AVDUKIWJQYGMNH-RTBURBONSA-N 2 1 332.536 3.604 20 0 EHADMP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000382421629 1127509144 /nfs/dbraw/zinc/50/91/44/1127509144.db2.gz BPPALTHWWPLUFW-YADHBBJMSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000382421629 1127509145 /nfs/dbraw/zinc/50/91/45/1127509145.db2.gz BPPALTHWWPLUFW-YADHBBJMSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000382421629 1127509150 /nfs/dbraw/zinc/50/91/50/1127509150.db2.gz BPPALTHWWPLUFW-YADHBBJMSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000382421629 1127509152 /nfs/dbraw/zinc/50/91/52/1127509152.db2.gz BPPALTHWWPLUFW-YADHBBJMSA-N 2 1 348.490 3.713 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000383438991 1127542704 /nfs/dbraw/zinc/54/27/04/1127542704.db2.gz DFWGBNSNDBOLBL-FRYIKTPZSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cnn(-c2ccccc2)c1 ZINC000325406190 1127563545 /nfs/dbraw/zinc/56/35/45/1127563545.db2.gz ROWPXJOYUYNGRI-OAHLLOKOSA-N 2 1 326.488 3.832 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000765239720 1127588002 /nfs/dbraw/zinc/58/80/02/1127588002.db2.gz SIWZEOFVEGCBSL-ZWKOTPCHSA-N 2 1 340.515 3.953 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399221727 1127624126 /nfs/dbraw/zinc/62/41/26/1127624126.db2.gz YYTZBUAXYCCIFL-KRWDZBQOSA-N 2 1 345.512 3.544 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399221727 1127624124 /nfs/dbraw/zinc/62/41/24/1127624124.db2.gz YYTZBUAXYCCIFL-KRWDZBQOSA-N 2 1 345.512 3.544 20 0 EHADMP C[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545648 1127682093 /nfs/dbraw/zinc/68/20/93/1127682093.db2.gz YOJCIWFECLAEDT-HKUYNNGSSA-N 2 1 336.483 3.823 20 0 EHADMP CCC(C)(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000671684642 1127898727 /nfs/dbraw/zinc/89/87/27/1127898727.db2.gz NXLMESVIEUQQMW-OAQYLSRUSA-N 2 1 343.559 3.586 20 0 EHADMP CCC(C)(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000671684642 1127898728 /nfs/dbraw/zinc/89/87/28/1127898728.db2.gz NXLMESVIEUQQMW-OAQYLSRUSA-N 2 1 343.559 3.586 20 0 EHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCC(C)C ZINC000062427188 1128134574 /nfs/dbraw/zinc/13/45/74/1128134574.db2.gz FIBWDTBDRVGGDR-IBGZPJMESA-N 2 1 348.531 3.940 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741357 1128178038 /nfs/dbraw/zinc/17/80/38/1128178038.db2.gz DEYOQFDPRWDYIW-XHSDSOJGSA-N 2 1 345.487 3.942 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([NH2+]CCC[N@H+]3CCCC[C@@H]3C)CCO2)cc1 ZINC001168591325 1128179912 /nfs/dbraw/zinc/17/99/12/1128179912.db2.gz USBNQUUBTQQJRS-CUWPLCDZSA-N 2 1 346.515 3.769 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902393416 1128184277 /nfs/dbraw/zinc/18/42/77/1128184277.db2.gz QVCOQPQPYLBHFL-CRAIPNDOSA-N 2 1 339.474 3.597 20 0 EHADMP CC(C)(C)N1CC[C@@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902393416 1128184279 /nfs/dbraw/zinc/18/42/79/1128184279.db2.gz QVCOQPQPYLBHFL-CRAIPNDOSA-N 2 1 339.474 3.597 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000069754039 1128291666 /nfs/dbraw/zinc/29/16/66/1128291666.db2.gz KKNCWJPVOLXXES-UHFFFAOYSA-N 2 1 335.451 3.950 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090545704 1128447192 /nfs/dbraw/zinc/44/71/92/1128447192.db2.gz XQZFRKVRFQGNQJ-IFMALSPDSA-N 2 1 344.543 3.614 20 0 EHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1Br ZINC000091469764 1128459122 /nfs/dbraw/zinc/45/91/22/1128459122.db2.gz WPBVXRFTVXCVOA-OAHLLOKOSA-N 2 1 325.294 3.577 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000785442670 1128459343 /nfs/dbraw/zinc/45/93/43/1128459343.db2.gz SDGIKBXAMNOSKP-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000785442670 1128459344 /nfs/dbraw/zinc/45/93/44/1128459344.db2.gz SDGIKBXAMNOSKP-GOSISDBHSA-N 2 1 327.447 3.531 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000655835335 1128491862 /nfs/dbraw/zinc/49/18/62/1128491862.db2.gz NQHYGTVVLFCWRR-MBWHEUGSSA-N 2 1 349.522 3.903 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc3c2OCC3)cc1 ZINC000921824154 1128790315 /nfs/dbraw/zinc/79/03/15/1128790315.db2.gz CYXFRJKIRWCIRS-HNNXBMFYSA-N 2 1 333.435 3.966 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC001648907140 1120065030 /nfs/dbraw/zinc/06/50/30/1120065030.db2.gz ZKFQGZJHCFQVNM-MIALQEHNSA-N 2 1 330.516 3.509 20 0 EHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000083453918 1120134742 /nfs/dbraw/zinc/13/47/42/1120134742.db2.gz BVMZPFHKEZZHFK-SFHVURJKSA-N 2 1 329.875 3.737 20 0 EHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000083453918 1120134746 /nfs/dbraw/zinc/13/47/46/1120134746.db2.gz BVMZPFHKEZZHFK-SFHVURJKSA-N 2 1 329.875 3.737 20 0 EHADMP Clc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000262089391 1120168430 /nfs/dbraw/zinc/16/84/30/1120168430.db2.gz URUOEZXFGOXAJE-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(Br)s1)C(C)(C)C ZINC000236984016 1120235579 /nfs/dbraw/zinc/23/55/79/1120235579.db2.gz UXGINJSYHNRJGR-GFCCVEGCSA-N 2 1 333.339 3.967 20 0 EHADMP Cc1cccc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000355228676 1128907066 /nfs/dbraw/zinc/90/70/66/1128907066.db2.gz WDKGZDQCGUEXJG-UHFFFAOYSA-N 2 1 325.500 3.680 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2n1C1CC1 ZINC000338773678 1128945693 /nfs/dbraw/zinc/94/56/93/1128945693.db2.gz NIYMWKNVJBNHFT-SJLPKXTDSA-N 2 1 338.499 3.650 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000495148583 1120970823 /nfs/dbraw/zinc/97/08/23/1120970823.db2.gz OFHVNKORAFFORA-WIYYLYMNSA-N 2 1 336.479 3.888 20 0 EHADMP Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000303731402 1121177533 /nfs/dbraw/zinc/17/75/33/1121177533.db2.gz UYLDBIMLZFMPPH-UHFFFAOYSA-N 2 1 346.559 3.880 20 0 EHADMP Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000303731402 1121177536 /nfs/dbraw/zinc/17/75/36/1121177536.db2.gz UYLDBIMLZFMPPH-UHFFFAOYSA-N 2 1 346.559 3.880 20 0 EHADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000495427882 1121193247 /nfs/dbraw/zinc/19/32/47/1121193247.db2.gz UHGNYVJMTNTRBV-WMQCIHAUSA-N 2 1 330.516 3.692 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2C[NH2+]C)cc1)C(C)C ZINC000236996115 1121470259 /nfs/dbraw/zinc/47/02/59/1121470259.db2.gz FTOSEINMPIUWIU-UHFFFAOYSA-N 2 1 339.483 3.889 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717755 1121667689 /nfs/dbraw/zinc/66/76/89/1121667689.db2.gz LSDLLWOMJFFOCZ-UHFFFAOYSA-N 2 1 339.321 3.887 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000282127252 1121858910 /nfs/dbraw/zinc/85/89/10/1121858910.db2.gz JWVOQTXWZDTRAZ-SJLPKXTDSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000282127252 1121858921 /nfs/dbraw/zinc/85/89/21/1121858921.db2.gz JWVOQTXWZDTRAZ-SJLPKXTDSA-N 2 1 340.515 3.954 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000398000674 1121957639 /nfs/dbraw/zinc/95/76/39/1121957639.db2.gz VVHIGDHSNFTVHZ-ICSRJNTNSA-N 2 1 330.516 3.572 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000037149919 1122144179 /nfs/dbraw/zinc/14/41/79/1122144179.db2.gz MLPDJSZHWMBJGO-UHFFFAOYSA-N 2 1 325.294 3.803 20 0 EHADMP Cc1[nH+]ccn1CCCCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000125172027 1122308381 /nfs/dbraw/zinc/30/83/81/1122308381.db2.gz KJWWQBGKYJQHBP-UHFFFAOYSA-N 2 1 346.563 3.804 20 0 EHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000918197909 1122771391 /nfs/dbraw/zinc/77/13/91/1122771391.db2.gz OYWHRDHDZQIPLF-HXUWFJFHSA-N 2 1 344.886 3.628 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000556075780 1122802557 /nfs/dbraw/zinc/80/25/57/1122802557.db2.gz FDOHHKGFVBXLSV-VQTJNVASSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000556075780 1122802565 /nfs/dbraw/zinc/80/25/65/1122802565.db2.gz FDOHHKGFVBXLSV-VQTJNVASSA-N 2 1 330.422 3.932 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556092978 1122808427 /nfs/dbraw/zinc/80/84/27/1122808427.db2.gz CIVTWMBKSOFQES-LEWJYISDSA-N 3 1 329.532 3.534 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556092978 1122808430 /nfs/dbraw/zinc/80/84/30/1122808430.db2.gz CIVTWMBKSOFQES-LEWJYISDSA-N 3 1 329.532 3.534 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556092982 1122808455 /nfs/dbraw/zinc/80/84/55/1122808455.db2.gz CIVTWMBKSOFQES-SFTDATJTSA-N 3 1 329.532 3.534 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556092982 1122808458 /nfs/dbraw/zinc/80/84/58/1122808458.db2.gz CIVTWMBKSOFQES-SFTDATJTSA-N 3 1 329.532 3.534 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@H]3C(C)=CCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000152618578 1122847468 /nfs/dbraw/zinc/84/74/68/1122847468.db2.gz JHPNMJYIEALMCG-KXBFYZLASA-N 2 1 328.504 3.644 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556177640 1122860516 /nfs/dbraw/zinc/86/05/16/1122860516.db2.gz FPAQQTPLLPPABS-XLIONFOSSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556177640 1122860519 /nfs/dbraw/zinc/86/05/19/1122860519.db2.gz FPAQQTPLLPPABS-XLIONFOSSA-N 2 1 330.422 3.932 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](C)c2ccco2)CC1 ZINC000131113121 1123046280 /nfs/dbraw/zinc/04/62/80/1123046280.db2.gz MMRMLLFYOXFTDD-QGZVFWFLSA-N 2 1 327.472 3.615 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000556608872 1123060248 /nfs/dbraw/zinc/06/02/48/1123060248.db2.gz OYSGSRLERVBZNT-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000556608872 1123060252 /nfs/dbraw/zinc/06/02/52/1123060252.db2.gz OYSGSRLERVBZNT-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000556608872 1123060256 /nfs/dbraw/zinc/06/02/56/1123060256.db2.gz OYSGSRLERVBZNT-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)[C@H]1c1cccs1 ZINC000556872524 1123162090 /nfs/dbraw/zinc/16/20/90/1123162090.db2.gz YWFJZWAVLNSYBB-STEXWYFWSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H]2CCC[C@@H]21 ZINC000556872524 1123162091 /nfs/dbraw/zinc/16/20/91/1123162091.db2.gz YWFJZWAVLNSYBB-STEXWYFWSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H]2CCC[C@@H]21 ZINC000556872524 1123162093 /nfs/dbraw/zinc/16/20/93/1123162093.db2.gz YWFJZWAVLNSYBB-STEXWYFWSA-N 2 1 347.572 3.593 20 0 EHADMP CO[C@H]1CCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556887088 1123168310 /nfs/dbraw/zinc/16/83/10/1123168310.db2.gz YLNVZEWPAHTCMV-UEKLYDJUSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CCO)C(C)(C)C)CC1 ZINC000556891943 1123177051 /nfs/dbraw/zinc/17/70/51/1123177051.db2.gz INBJXTNMLKOVDM-MHJFOBGBSA-N 2 1 332.532 3.816 20 0 EHADMP c1ccc(COc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000073381038 1123200153 /nfs/dbraw/zinc/20/01/53/1123200153.db2.gz RHDGTLARYYCECU-UHFFFAOYSA-N 2 1 336.479 3.982 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499139415 1123243578 /nfs/dbraw/zinc/24/35/78/1123243578.db2.gz OYTYEKWIBYODHW-JKLQHZFJSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499139415 1123243581 /nfs/dbraw/zinc/24/35/81/1123243581.db2.gz OYTYEKWIBYODHW-JKLQHZFJSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499139415 1123243584 /nfs/dbraw/zinc/24/35/84/1123243584.db2.gz OYTYEKWIBYODHW-JKLQHZFJSA-N 2 1 341.543 3.646 20 0 EHADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000499253696 1123311679 /nfs/dbraw/zinc/31/16/79/1123311679.db2.gz SMTCUQJHTOXUHJ-AIYVTKCESA-N 2 1 342.527 3.975 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000133163418 1123354679 /nfs/dbraw/zinc/35/46/79/1123354679.db2.gz NRDGQIVGBDDJOV-CKEIUWERSA-N 2 1 341.421 3.940 20 0 EHADMP Fc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134878083 1123560168 /nfs/dbraw/zinc/56/01/68/1123560168.db2.gz UQFZPNGRPPNFKR-OXQOHEQNSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134878083 1123560169 /nfs/dbraw/zinc/56/01/69/1123560169.db2.gz UQFZPNGRPPNFKR-OXQOHEQNSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134878083 1123560173 /nfs/dbraw/zinc/56/01/73/1123560173.db2.gz UQFZPNGRPPNFKR-OXQOHEQNSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134878083 1123560176 /nfs/dbraw/zinc/56/01/76/1123560176.db2.gz UQFZPNGRPPNFKR-OXQOHEQNSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccccc1SCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134921076 1123565292 /nfs/dbraw/zinc/56/52/92/1123565292.db2.gz SJPBPFLMLVJWBV-CRAIPNDOSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134921076 1123565295 /nfs/dbraw/zinc/56/52/95/1123565295.db2.gz SJPBPFLMLVJWBV-CRAIPNDOSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134921076 1123565299 /nfs/dbraw/zinc/56/52/99/1123565299.db2.gz SJPBPFLMLVJWBV-CRAIPNDOSA-N 2 1 334.504 3.867 20 0 EHADMP Fc1ccccc1SCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134921076 1123565302 /nfs/dbraw/zinc/56/53/02/1123565302.db2.gz SJPBPFLMLVJWBV-CRAIPNDOSA-N 2 1 334.504 3.867 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570024 1123848304 /nfs/dbraw/zinc/84/83/04/1123848304.db2.gz FJGSOTHUPSLGPT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570024 1123848306 /nfs/dbraw/zinc/84/83/06/1123848306.db2.gz FJGSOTHUPSLGPT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570024 1123848309 /nfs/dbraw/zinc/84/83/09/1123848309.db2.gz FJGSOTHUPSLGPT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000081570024 1123848312 /nfs/dbraw/zinc/84/83/12/1123848312.db2.gz FJGSOTHUPSLGPT-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP Cc1ccccc1[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000110433245 1123855452 /nfs/dbraw/zinc/85/54/52/1123855452.db2.gz GLLMCJBQCNNBNH-IFMALSPDSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000110433245 1123855457 /nfs/dbraw/zinc/85/54/57/1123855457.db2.gz GLLMCJBQCNNBNH-IFMALSPDSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000110433245 1123855461 /nfs/dbraw/zinc/85/54/61/1123855461.db2.gz GLLMCJBQCNNBNH-IFMALSPDSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000110433245 1123855465 /nfs/dbraw/zinc/85/54/65/1123855465.db2.gz GLLMCJBQCNNBNH-IFMALSPDSA-N 2 1 338.495 3.625 20 0 EHADMP C[C@@H]1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000245693646 1123927119 /nfs/dbraw/zinc/92/71/19/1123927119.db2.gz KSTFFUORTGOHDR-VQDSBOJYSA-N 2 1 328.500 3.728 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000246120232 1124026831 /nfs/dbraw/zinc/02/68/31/1124026831.db2.gz QOCYTIUOOHGQIX-GHTZIAJQSA-N 2 1 348.506 3.884 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000246368306 1124096932 /nfs/dbraw/zinc/09/69/32/1124096932.db2.gz JAKGFNIYPIHIBT-JYWFKMLOSA-N 2 1 330.516 3.789 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1 ZINC000247015166 1124579097 /nfs/dbraw/zinc/57/90/97/1124579097.db2.gz KNMYUSZNBNQVLV-BEVDRBHNSA-N 2 1 327.472 3.773 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000247132670 1124590990 /nfs/dbraw/zinc/59/09/90/1124590990.db2.gz VPYZDUVSIWJIOC-BLLLJJGKSA-N 2 1 330.394 3.534 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000247132670 1124590998 /nfs/dbraw/zinc/59/09/98/1124590998.db2.gz VPYZDUVSIWJIOC-BLLLJJGKSA-N 2 1 330.394 3.534 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248404340 1124657938 /nfs/dbraw/zinc/65/79/38/1124657938.db2.gz QBHKWUOBHXYLHC-NJDAHSKKSA-N 2 1 342.527 3.693 20 0 EHADMP CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000252425725 1124985338 /nfs/dbraw/zinc/98/53/38/1124985338.db2.gz PLKXCBYNUQCCIZ-OCCSQVGLSA-N 2 1 341.293 3.593 20 0 EHADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000252425725 1124985342 /nfs/dbraw/zinc/98/53/42/1124985342.db2.gz PLKXCBYNUQCCIZ-OCCSQVGLSA-N 2 1 341.293 3.593 20 0 EHADMP CCC[N@H+](Cc1c(C)cc(Br)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236845092 1125049384 /nfs/dbraw/zinc/04/93/84/1125049384.db2.gz YRRRQSFFKCBENU-HNNXBMFYSA-N 2 1 339.321 3.887 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000253296658 1125138811 /nfs/dbraw/zinc/13/88/11/1125138811.db2.gz TWGUOMLVAVOWMB-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000253296658 1125138817 /nfs/dbraw/zinc/13/88/17/1125138817.db2.gz TWGUOMLVAVOWMB-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000253296658 1125138822 /nfs/dbraw/zinc/13/88/22/1125138822.db2.gz TWGUOMLVAVOWMB-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093598074 1125273532 /nfs/dbraw/zinc/27/35/32/1125273532.db2.gz XUAVEYXOTFMCTA-OAHLLOKOSA-N 2 1 328.378 3.503 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093598074 1125273536 /nfs/dbraw/zinc/27/35/36/1125273536.db2.gz XUAVEYXOTFMCTA-OAHLLOKOSA-N 2 1 328.378 3.503 20 0 EHADMP CCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000093639397 1125280247 /nfs/dbraw/zinc/28/02/47/1125280247.db2.gz ZDQMLOQBMRWWKX-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000093639397 1125280252 /nfs/dbraw/zinc/28/02/52/1125280252.db2.gz ZDQMLOQBMRWWKX-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000093639397 1125280259 /nfs/dbraw/zinc/28/02/59/1125280259.db2.gz ZDQMLOQBMRWWKX-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000765977070 1129373386 /nfs/dbraw/zinc/37/33/86/1129373386.db2.gz PTBWBVHHHRANIG-FUHWJXTLSA-N 2 1 332.488 3.526 20 0 EHADMP C[NH+]1CCC([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000466364517 1129404355 /nfs/dbraw/zinc/40/43/55/1129404355.db2.gz OWCSNYPZKHBWIN-UHFFFAOYSA-N 2 1 326.271 3.701 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000358946587 1129428352 /nfs/dbraw/zinc/42/83/52/1129428352.db2.gz RFITUVSRYMKTHH-QAPCUYQASA-N 2 1 332.488 3.545 20 0 EHADMP CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000543395258 1129457688 /nfs/dbraw/zinc/45/76/88/1129457688.db2.gz UPUYHGXOAABVIX-KSZLIROESA-N 2 1 345.512 3.959 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC[N@@H+]1Cc1ccccc1 ZINC000922692843 1129628593 /nfs/dbraw/zinc/62/85/93/1129628593.db2.gz SIIRPDRILFWEHU-GFOJFJKKSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC[N@H+]1Cc1ccccc1 ZINC000922692843 1129628595 /nfs/dbraw/zinc/62/85/95/1129628595.db2.gz SIIRPDRILFWEHU-GFOJFJKKSA-N 2 1 328.500 3.588 20 0 EHADMP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000390764201 1129632839 /nfs/dbraw/zinc/63/28/39/1129632839.db2.gz CVQLPVGMAAQJOO-QGZVFWFLSA-N 2 1 325.481 3.622 20 0 EHADMP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390764201 1129632841 /nfs/dbraw/zinc/63/28/41/1129632841.db2.gz CVQLPVGMAAQJOO-QGZVFWFLSA-N 2 1 325.481 3.622 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000390912368 1129798306 /nfs/dbraw/zinc/79/83/06/1129798306.db2.gz XYIWBRWOKWUGBM-RTWAWAEBSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000390912368 1129798309 /nfs/dbraw/zinc/79/83/09/1129798309.db2.gz XYIWBRWOKWUGBM-RTWAWAEBSA-N 2 1 344.543 3.818 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000075642693 1129877368 /nfs/dbraw/zinc/87/73/68/1129877368.db2.gz KYUKADGIFBLQTP-IBGZPJMESA-N 2 1 338.923 3.817 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000075642695 1129878450 /nfs/dbraw/zinc/87/84/50/1129878450.db2.gz KYUKADGIFBLQTP-LJQANCHMSA-N 2 1 338.923 3.817 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000673914759 1129904850 /nfs/dbraw/zinc/90/48/50/1129904850.db2.gz AHAUSNDLYQIJOF-MRXNPFEDSA-N 2 1 343.471 3.514 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)cc1 ZINC000347881629 1129974201 /nfs/dbraw/zinc/97/42/01/1129974201.db2.gz SIAVGUPECLLIET-PXNSSMCTSA-N 2 1 349.478 3.683 20 0 EHADMP Cc1ccncc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658122633 1130171439 /nfs/dbraw/zinc/17/14/39/1130171439.db2.gz GSIWTGCYDGDVNV-KOUNCHBCSA-N 2 1 335.495 3.718 20 0 EHADMP CC1(O)CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000703010029 1130268196 /nfs/dbraw/zinc/26/81/96/1130268196.db2.gz PDZFSGFZPBEUKD-QNGMFEMESA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000766132563 1130381988 /nfs/dbraw/zinc/38/19/88/1130381988.db2.gz BHSNRURTWCVHBZ-QRQLOZEOSA-N 2 1 344.524 3.814 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000766132563 1130381994 /nfs/dbraw/zinc/38/19/94/1130381994.db2.gz BHSNRURTWCVHBZ-QRQLOZEOSA-N 2 1 344.524 3.814 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781440 1130471778 /nfs/dbraw/zinc/47/17/78/1130471778.db2.gz ZQEMLBQAOMOWGE-WMZHIEFXSA-N 2 1 349.522 3.645 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000675879266 1130500489 /nfs/dbraw/zinc/50/04/89/1130500489.db2.gz JRKQQYZCUNAIMR-AWEZNQCLSA-N 2 1 342.487 3.716 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222216 1130547457 /nfs/dbraw/zinc/54/74/57/1130547457.db2.gz FXZRKUQNEMMZBI-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222216 1130547462 /nfs/dbraw/zinc/54/74/62/1130547462.db2.gz FXZRKUQNEMMZBI-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222216 1130547466 /nfs/dbraw/zinc/54/74/66/1130547466.db2.gz FXZRKUQNEMMZBI-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000166818693 1130601694 /nfs/dbraw/zinc/60/16/94/1130601694.db2.gz QIISSDLFTFQHBV-HZPDHXFCSA-N 2 1 342.405 3.653 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000166818693 1130601695 /nfs/dbraw/zinc/60/16/95/1130601695.db2.gz QIISSDLFTFQHBV-HZPDHXFCSA-N 2 1 342.405 3.653 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885049 1131554178 /nfs/dbraw/zinc/55/41/78/1131554178.db2.gz YKHBLPNOHOJNAH-YJBOKZPZSA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885049 1131554183 /nfs/dbraw/zinc/55/41/83/1131554183.db2.gz YKHBLPNOHOJNAH-YJBOKZPZSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885049 1131554186 /nfs/dbraw/zinc/55/41/86/1131554186.db2.gz YKHBLPNOHOJNAH-YJBOKZPZSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885049 1131554191 /nfs/dbraw/zinc/55/41/91/1131554191.db2.gz YKHBLPNOHOJNAH-YJBOKZPZSA-N 2 1 342.483 3.714 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000180626016 1131790725 /nfs/dbraw/zinc/79/07/25/1131790725.db2.gz VYAMKGHNUPFAHO-HNNXBMFYSA-N 2 1 338.455 3.794 20 0 EHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779499 1131845022 /nfs/dbraw/zinc/84/50/22/1131845022.db2.gz GGROYVXAANJKTP-ZAWLATJESA-N 2 1 336.520 3.623 20 0 EHADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@@H]1F ZINC001206175052 1131846495 /nfs/dbraw/zinc/84/64/95/1131846495.db2.gz RLLOWGRAAFHJJH-LSDHHAIUSA-N 2 1 339.867 3.725 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC[C@@H]1F ZINC001206175052 1131846501 /nfs/dbraw/zinc/84/65/01/1131846501.db2.gz RLLOWGRAAFHJJH-LSDHHAIUSA-N 2 1 339.867 3.725 20 0 EHADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172930806 1131908949 /nfs/dbraw/zinc/90/89/49/1131908949.db2.gz RVSCRWYVJGOBAR-WTGUMLROSA-N 2 1 334.479 3.855 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001172936407 1131912039 /nfs/dbraw/zinc/91/20/39/1131912039.db2.gz XGLGPHZXSWOOOW-PMXSJFBMSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172955173 1131931001 /nfs/dbraw/zinc/93/10/01/1131931001.db2.gz PLWRJRPRJOXDHG-ULQDDVLXSA-N 2 1 341.540 3.612 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)CC1 ZINC001173112382 1131970022 /nfs/dbraw/zinc/97/00/22/1131970022.db2.gz WXCGBCQMAOYJKY-CBNMVNINSA-N 2 1 349.563 3.506 20 0 EHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1COc2cccc(OC)c2C1 ZINC001173162476 1131990182 /nfs/dbraw/zinc/99/01/82/1131990182.db2.gz XVVFEGRIVFLGCS-KBAYOESNSA-N 2 1 346.515 3.759 20 0 EHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cn2)c1C ZINC001206196347 1132013124 /nfs/dbraw/zinc/01/31/24/1132013124.db2.gz BMMRJDBXNQWSDI-MOPGFXCFSA-N 2 1 327.447 3.627 20 0 EHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cn2)c1C ZINC001206196347 1132013129 /nfs/dbraw/zinc/01/31/29/1132013129.db2.gz BMMRJDBXNQWSDI-MOPGFXCFSA-N 2 1 327.447 3.627 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001173283133 1132043501 /nfs/dbraw/zinc/04/35/01/1132043501.db2.gz SPZPEZATKRDPGL-QZTJIDSGSA-N 2 1 348.556 3.994 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001173436909 1132068465 /nfs/dbraw/zinc/06/84/65/1132068465.db2.gz GDGPWPKCOIRSEV-QUCCMNQESA-N 2 1 346.515 3.610 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173630827 1132110003 /nfs/dbraw/zinc/11/00/03/1132110003.db2.gz RYRRWRYIIQYOIR-MSOLQXFVSA-N 2 1 326.525 3.600 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634340 1132436043 /nfs/dbraw/zinc/43/60/43/1132436043.db2.gz VAVQZQUXTFQDLC-ICSRJNTNSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379634340 1132436047 /nfs/dbraw/zinc/43/60/47/1132436047.db2.gz VAVQZQUXTFQDLC-ICSRJNTNSA-N 2 1 330.516 3.572 20 0 EHADMP CC[C@H](CO)[N@H+](CCn1cc[nH+]c1C)C1CCC(C(C)(C)C)CC1 ZINC001174876268 1132493428 /nfs/dbraw/zinc/49/34/28/1132493428.db2.gz ZWGWWURKEIRPTM-JLAWEPINSA-N 2 1 335.536 3.869 20 0 EHADMP CC[C@H](CO)[N@@H+](CCn1cc[nH+]c1C)C1CCC(C(C)(C)C)CC1 ZINC001174876268 1132493433 /nfs/dbraw/zinc/49/34/33/1132493433.db2.gz ZWGWWURKEIRPTM-JLAWEPINSA-N 2 1 335.536 3.869 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(Cl)c3)CC1)C2 ZINC001169139669 1132670004 /nfs/dbraw/zinc/67/00/04/1132670004.db2.gz DAMWDEYPHTUNEC-BJWYYQGGSA-N 2 1 334.891 3.808 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OC(C)(C)c1ccccc13)C2 ZINC001169146633 1132676896 /nfs/dbraw/zinc/67/68/96/1132676896.db2.gz QPGJYPHZWRLPGY-PIIMJCKOSA-N 2 1 340.511 3.868 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154710 1132679756 /nfs/dbraw/zinc/67/97/56/1132679756.db2.gz SQBJEUYMDRLNPA-NYLIBXOJSA-N 2 1 348.531 3.586 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154710 1132679761 /nfs/dbraw/zinc/67/97/61/1132679761.db2.gz SQBJEUYMDRLNPA-NYLIBXOJSA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154710 1132679766 /nfs/dbraw/zinc/67/97/66/1132679766.db2.gz SQBJEUYMDRLNPA-NYLIBXOJSA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169154710 1132679769 /nfs/dbraw/zinc/67/97/69/1132679769.db2.gz SQBJEUYMDRLNPA-NYLIBXOJSA-N 2 1 348.531 3.586 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206005510 1132707959 /nfs/dbraw/zinc/70/79/59/1132707959.db2.gz YJEJAQXBINYXGA-KBPBESRZSA-N 2 1 325.294 3.564 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001169259045 1132710644 /nfs/dbraw/zinc/71/06/44/1132710644.db2.gz ZTIGBAILBNDIIO-IBGZPJMESA-N 2 1 336.907 3.805 20 0 EHADMP CC[NH+]1CCC([N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001169259045 1132710648 /nfs/dbraw/zinc/71/06/48/1132710648.db2.gz ZTIGBAILBNDIIO-IBGZPJMESA-N 2 1 336.907 3.805 20 0 EHADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169453255 1132760344 /nfs/dbraw/zinc/76/03/44/1132760344.db2.gz YQYFKURKQCPIIS-ZHALLVOQSA-N 2 1 337.552 3.538 20 0 EHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)c2cccs2)CC1 ZINC001177103905 1133030971 /nfs/dbraw/zinc/03/09/71/1133030971.db2.gz DRROBPHIOJVCCM-MSOLQXFVSA-N 2 1 349.588 3.985 20 0 EHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)CCCO2 ZINC000768102994 1133095816 /nfs/dbraw/zinc/09/58/16/1133095816.db2.gz VKJGWHXYJPDPRT-KXBFYZLASA-N 2 1 327.472 3.894 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177795072 1133103721 /nfs/dbraw/zinc/10/37/21/1133103721.db2.gz NPFZUTYAPCWNQS-LEWJYISDSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795072 1133103723 /nfs/dbraw/zinc/10/37/23/1133103723.db2.gz NPFZUTYAPCWNQS-LEWJYISDSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795072 1133103726 /nfs/dbraw/zinc/10/37/26/1133103726.db2.gz NPFZUTYAPCWNQS-LEWJYISDSA-N 2 1 343.559 3.894 20 0 EHADMP CO[C@@]1(C)C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1(C)C ZINC001177928656 1133116025 /nfs/dbraw/zinc/11/60/25/1133116025.db2.gz NXGAZOKJPJIBDI-RXVVDRJESA-N 2 1 332.532 3.938 20 0 EHADMP CO[C@@]1(C)C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1(C)C ZINC001177928655 1133116382 /nfs/dbraw/zinc/11/63/82/1133116382.db2.gz NXGAZOKJPJIBDI-NQIIRXRSSA-N 2 1 332.532 3.938 20 0 EHADMP COc1ccc2c(NCCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c2c1 ZINC000768536127 1133151856 /nfs/dbraw/zinc/15/18/56/1133151856.db2.gz SJMGGMRJFJRYQK-IYBDPMFKSA-N 2 1 343.471 3.545 20 0 EHADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206337688 1133187460 /nfs/dbraw/zinc/18/74/60/1133187460.db2.gz VHTLYVSEJIENRK-INIZCTEOSA-N 2 1 325.294 3.708 20 0 EHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001178972630 1133217900 /nfs/dbraw/zinc/21/79/00/1133217900.db2.gz XLKWJQIOKAPIBM-FGZHOGPDSA-N 2 1 338.495 3.622 20 0 EHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001178972630 1133217903 /nfs/dbraw/zinc/21/79/03/1133217903.db2.gz XLKWJQIOKAPIBM-FGZHOGPDSA-N 2 1 338.495 3.622 20 0 EHADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001179257733 1133239599 /nfs/dbraw/zinc/23/95/99/1133239599.db2.gz GQMHDNWNWPQSEG-MRXNPFEDSA-N 2 1 336.907 3.950 20 0 EHADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001179257733 1133239603 /nfs/dbraw/zinc/23/96/03/1133239603.db2.gz GQMHDNWNWPQSEG-MRXNPFEDSA-N 2 1 336.907 3.950 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1N ZINC001179338531 1133245884 /nfs/dbraw/zinc/24/58/84/1133245884.db2.gz IPAPKUKCASBFIR-YJBOKZPZSA-N 2 1 343.902 3.780 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507606 1133305237 /nfs/dbraw/zinc/30/52/37/1133305237.db2.gz MQOWLHIHZYCAAV-MRXNPFEDSA-N 2 1 346.544 3.780 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507606 1133305240 /nfs/dbraw/zinc/30/52/40/1133305240.db2.gz MQOWLHIHZYCAAV-MRXNPFEDSA-N 2 1 346.544 3.780 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507606 1133305243 /nfs/dbraw/zinc/30/52/43/1133305243.db2.gz MQOWLHIHZYCAAV-MRXNPFEDSA-N 2 1 346.544 3.780 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507606 1133305249 /nfs/dbraw/zinc/30/52/49/1133305249.db2.gz MQOWLHIHZYCAAV-MRXNPFEDSA-N 2 1 346.544 3.780 20 0 EHADMP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351053 1133418896 /nfs/dbraw/zinc/41/88/96/1133418896.db2.gz IBEGHYBSTKLXFP-JKSUJKDBSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351053 1133418901 /nfs/dbraw/zinc/41/89/01/1133418901.db2.gz IBEGHYBSTKLXFP-JKSUJKDBSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351053 1133418905 /nfs/dbraw/zinc/41/89/05/1133418905.db2.gz IBEGHYBSTKLXFP-JKSUJKDBSA-N 2 1 344.528 3.533 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cn2cc(C)cnc2=S)CC1)CC1CC1 ZINC000770683853 1133458971 /nfs/dbraw/zinc/45/89/71/1133458971.db2.gz FVVMAONVAGQTNI-UHFFFAOYSA-N 2 1 348.560 3.713 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cn2cc(C)cnc2=S)CC1)CC1CC1 ZINC000770683853 1133458974 /nfs/dbraw/zinc/45/89/74/1133458974.db2.gz FVVMAONVAGQTNI-UHFFFAOYSA-N 2 1 348.560 3.713 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC001181435692 1133492474 /nfs/dbraw/zinc/49/24/74/1133492474.db2.gz HDSUVLCDFBWORC-YZGWKJHDSA-N 2 1 335.580 3.740 20 0 EHADMP CC(C)[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](CO)C(C)C ZINC001181891585 1133548219 /nfs/dbraw/zinc/54/82/19/1133548219.db2.gz CPEGFZXOUXIOBM-WSWWRLHASA-N 2 1 346.559 3.776 20 0 EHADMP C[C@H]1CC[C@@H](NCC[NH+]2CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC001182310329 1133626052 /nfs/dbraw/zinc/62/60/52/1133626052.db2.gz XNZXMNSCAGXRQL-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1CC[C@@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001182310329 1133626056 /nfs/dbraw/zinc/62/60/56/1133626056.db2.gz XNZXMNSCAGXRQL-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1CC[C@@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310329 1133626059 /nfs/dbraw/zinc/62/60/59/1133626059.db2.gz XNZXMNSCAGXRQL-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1CC[C@@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310329 1133626062 /nfs/dbraw/zinc/62/60/62/1133626062.db2.gz XNZXMNSCAGXRQL-AZUAARDMSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001204352846 1133717771 /nfs/dbraw/zinc/71/77/71/1133717771.db2.gz WHRTZNUCNLPJMS-KDURUIRLSA-N 2 1 326.509 3.929 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001204352846 1133717776 /nfs/dbraw/zinc/71/77/76/1133717776.db2.gz WHRTZNUCNLPJMS-KDURUIRLSA-N 2 1 326.509 3.929 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001204352846 1133717781 /nfs/dbraw/zinc/71/77/81/1133717781.db2.gz WHRTZNUCNLPJMS-KDURUIRLSA-N 2 1 326.509 3.929 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001204352846 1133717786 /nfs/dbraw/zinc/71/77/86/1133717786.db2.gz WHRTZNUCNLPJMS-KDURUIRLSA-N 2 1 326.509 3.929 20 0 EHADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001205256864 1133774150 /nfs/dbraw/zinc/77/41/50/1133774150.db2.gz REKNRLTXXNZHKF-INIZCTEOSA-N 2 1 325.294 3.585 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)cc1C[NH+]1CCCCC1 ZINC000775392594 1134710898 /nfs/dbraw/zinc/71/08/98/1134710898.db2.gz GXTJQWNAIUJSNS-MRXNPFEDSA-N 2 1 342.487 3.563 20 0 EHADMP C[N@H+]1CCC[C@@H](CNCc2cc(Br)ccc2Cl)C1 ZINC000136093242 1134842249 /nfs/dbraw/zinc/84/22/49/1134842249.db2.gz SUTLSEDCXRNJIZ-NSHDSACASA-N 2 1 331.685 3.534 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445279 1134867718 /nfs/dbraw/zinc/86/77/18/1134867718.db2.gz SIRIGODJWFUQMT-VQTJNVASSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445279 1134867723 /nfs/dbraw/zinc/86/77/23/1134867723.db2.gz SIRIGODJWFUQMT-VQTJNVASSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445279 1134867731 /nfs/dbraw/zinc/86/77/31/1134867731.db2.gz SIRIGODJWFUQMT-VQTJNVASSA-N 2 1 334.548 3.922 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205626905 1135118227 /nfs/dbraw/zinc/11/82/27/1135118227.db2.gz KNSNKUQPHITUGT-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC001205665413 1135276850 /nfs/dbraw/zinc/27/68/50/1135276850.db2.gz RCFRSZOZIPZQRH-ZJUUUORDSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC001205665413 1135276856 /nfs/dbraw/zinc/27/68/56/1135276856.db2.gz RCFRSZOZIPZQRH-ZJUUUORDSA-N 2 1 336.694 3.849 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806138412 1135390808 /nfs/dbraw/zinc/39/08/08/1135390808.db2.gz UZZHNSQVZVLIEA-KRWDZBQOSA-N 2 1 329.875 3.964 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)ccn1 ZINC000806182082 1135406884 /nfs/dbraw/zinc/40/68/84/1135406884.db2.gz NJVUDSMELZNGCP-MRXNPFEDSA-N 2 1 331.504 3.786 20 0 EHADMP CCn1nc(C)c(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1C ZINC000080198432 1135481991 /nfs/dbraw/zinc/48/19/91/1135481991.db2.gz BWEDJZSRXCUCGE-UHFFFAOYSA-N 2 1 342.531 3.768 20 0 EHADMP CCn1nc(C)c(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1C ZINC000080198432 1135481994 /nfs/dbraw/zinc/48/19/94/1135481994.db2.gz BWEDJZSRXCUCGE-UHFFFAOYSA-N 2 1 342.531 3.768 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001196943392 1135632376 /nfs/dbraw/zinc/63/23/76/1135632376.db2.gz LNGTXRNAUGHJFB-SFTDATJTSA-N 2 1 348.506 3.620 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H](O)c3ccccc3)C2)CC1 ZINC000808714776 1135720208 /nfs/dbraw/zinc/72/02/08/1135720208.db2.gz CAIVWCLNWYOWNA-CTNGQTDRSA-N 2 1 330.516 3.554 20 0 EHADMP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCc2ccccc2C1 ZINC000809552715 1135855815 /nfs/dbraw/zinc/85/58/15/1135855815.db2.gz YCQUOJZNCWRTRV-GOSISDBHSA-N 2 1 343.540 3.974 20 0 EHADMP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCc2ccccc2C1 ZINC000809552715 1135855819 /nfs/dbraw/zinc/85/58/19/1135855819.db2.gz YCQUOJZNCWRTRV-GOSISDBHSA-N 2 1 343.540 3.974 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809747951 1135884971 /nfs/dbraw/zinc/88/49/71/1135884971.db2.gz XUUCEPICIIMVPK-OAQYLSRUSA-N 2 1 340.511 3.858 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)CC2 ZINC001199335769 1135898960 /nfs/dbraw/zinc/89/89/60/1135898960.db2.gz BYJHNZBYGPFAPQ-TZIWHRDSSA-N 2 1 330.516 3.653 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001199721385 1135922821 /nfs/dbraw/zinc/92/28/21/1135922821.db2.gz IBQFASGARRYMOJ-SVFBPWRDSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721385 1135922823 /nfs/dbraw/zinc/92/28/23/1135922823.db2.gz IBQFASGARRYMOJ-SVFBPWRDSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721385 1135922825 /nfs/dbraw/zinc/92/28/25/1135922825.db2.gz IBQFASGARRYMOJ-SVFBPWRDSA-N 2 1 343.559 3.750 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605548 1135961388 /nfs/dbraw/zinc/96/13/88/1135961388.db2.gz URJBYJWVEBAQAO-JOCHJYFZSA-N 2 1 341.543 3.590 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605548 1135961391 /nfs/dbraw/zinc/96/13/91/1135961391.db2.gz URJBYJWVEBAQAO-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605548 1135961393 /nfs/dbraw/zinc/96/13/93/1135961393.db2.gz URJBYJWVEBAQAO-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605548 1135961395 /nfs/dbraw/zinc/96/13/95/1135961395.db2.gz URJBYJWVEBAQAO-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC001170605548 1135961397 /nfs/dbraw/zinc/96/13/97/1135961397.db2.gz URJBYJWVEBAQAO-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201417782 1136018154 /nfs/dbraw/zinc/01/81/54/1136018154.db2.gz WSYTVDXOISVHFQ-KRXUUXHPSA-N 2 1 339.527 3.970 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201417782 1136018156 /nfs/dbraw/zinc/01/81/56/1136018156.db2.gz WSYTVDXOISVHFQ-KRXUUXHPSA-N 2 1 339.527 3.970 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201417782 1136018157 /nfs/dbraw/zinc/01/81/57/1136018157.db2.gz WSYTVDXOISVHFQ-KRXUUXHPSA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201417782 1136018160 /nfs/dbraw/zinc/01/81/60/1136018160.db2.gz WSYTVDXOISVHFQ-KRXUUXHPSA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201417782 1136018162 /nfs/dbraw/zinc/01/81/62/1136018162.db2.gz WSYTVDXOISVHFQ-KRXUUXHPSA-N 2 1 339.527 3.970 20 0 EHADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201504000 1136029436 /nfs/dbraw/zinc/02/94/36/1136029436.db2.gz TZXSXRLYELVIJK-DLBZAZTESA-N 2 1 336.545 3.850 20 0 EHADMP CCC[C@@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201541145 1136034073 /nfs/dbraw/zinc/03/40/73/1136034073.db2.gz DAHOSPGEHYHAAP-UYAOXDASSA-N 2 1 345.531 3.573 20 0 EHADMP CCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201729793 1136056606 /nfs/dbraw/zinc/05/66/06/1136056606.db2.gz CZWSUPZRVMCBOA-FQEVSTJZSA-N 2 1 330.516 3.932 20 0 EHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001202318906 1136128431 /nfs/dbraw/zinc/12/84/31/1136128431.db2.gz AWLISIIVNNMXTJ-UHFFFAOYSA-N 2 1 341.421 3.710 20 0 EHADMP FC(F)(F)CC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001202319057 1136128580 /nfs/dbraw/zinc/12/85/80/1136128580.db2.gz HEQFHGQWSHPVMA-UHFFFAOYSA-N 2 1 332.435 3.988 20 0 EHADMP FC(F)(F)CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001202424704 1136140068 /nfs/dbraw/zinc/14/00/68/1136140068.db2.gz MPFZQUCNJJYMHC-QGZVFWFLSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001202424704 1136140076 /nfs/dbraw/zinc/14/00/76/1136140076.db2.gz MPFZQUCNJJYMHC-QGZVFWFLSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001202424704 1136140078 /nfs/dbraw/zinc/14/00/78/1136140078.db2.gz MPFZQUCNJJYMHC-QGZVFWFLSA-N 2 1 326.406 3.927 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170676957 1136202531 /nfs/dbraw/zinc/20/25/31/1136202531.db2.gz KAPDWXGROPGBPL-KBAYOESNSA-N 2 1 334.454 3.947 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170678519 1136214089 /nfs/dbraw/zinc/21/40/89/1136214089.db2.gz ZBDVHOOSUVLWQH-KZNAEPCWSA-N 2 1 334.454 3.804 20 0 EHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850509774 1136274083 /nfs/dbraw/zinc/27/40/83/1136274083.db2.gz SIXGGSUNBKUNJS-UZLBHIALSA-N 2 1 342.458 3.552 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851812311 1136410772 /nfs/dbraw/zinc/41/07/72/1136410772.db2.gz HNDPIAMPBDAQHV-IEBWSBKVSA-N 2 1 338.536 3.505 20 0 EHADMP CO[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000852087422 1136432624 /nfs/dbraw/zinc/43/26/24/1136432624.db2.gz ZURDZBAPSYSQKI-VQTJNVASSA-N 2 1 328.500 3.542 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815057125 1136541216 /nfs/dbraw/zinc/54/12/16/1136541216.db2.gz IWCXANFOKFZZCA-UTKZUKDTSA-N 2 1 326.484 3.537 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815057125 1136541217 /nfs/dbraw/zinc/54/12/17/1136541217.db2.gz IWCXANFOKFZZCA-UTKZUKDTSA-N 2 1 326.484 3.537 20 0 EHADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCCOCC2)CC1 ZINC001170788384 1136604437 /nfs/dbraw/zinc/60/44/37/1136604437.db2.gz QPAMPORPJUUKBV-YCHQTSKFSA-N 2 1 328.500 3.684 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@H]4CCCOCC4)C3)CC2)cc1 ZINC001170827209 1136722775 /nfs/dbraw/zinc/72/27/75/1136722775.db2.gz JSFLMVQHYTWAJA-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3CCCCC3)C2)ccn1 ZINC000856551539 1136793891 /nfs/dbraw/zinc/79/38/91/1136793891.db2.gz UHFNIZLFGUWONL-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CCCCC3)C2)ccn1 ZINC000856551539 1136793893 /nfs/dbraw/zinc/79/38/93/1136793893.db2.gz UHFNIZLFGUWONL-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)ccn1 ZINC000856551539 1136793895 /nfs/dbraw/zinc/79/38/95/1136793895.db2.gz UHFNIZLFGUWONL-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856551481 1136794088 /nfs/dbraw/zinc/79/40/88/1136794088.db2.gz SMCZLEHUXIGGAM-DBXWQHBBSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856551481 1136794091 /nfs/dbraw/zinc/79/40/91/1136794091.db2.gz SMCZLEHUXIGGAM-DBXWQHBBSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856551481 1136794094 /nfs/dbraw/zinc/79/40/94/1136794094.db2.gz SMCZLEHUXIGGAM-DBXWQHBBSA-N 2 1 345.531 3.813 20 0 EHADMP CC/C=C/CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604831 1136797878 /nfs/dbraw/zinc/79/78/78/1136797878.db2.gz RWLXHAMWUPUEIN-ROUKRRSUSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C/CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604831 1136797879 /nfs/dbraw/zinc/79/78/79/1136797879.db2.gz RWLXHAMWUPUEIN-ROUKRRSUSA-N 2 1 331.504 3.731 20 0 EHADMP CC/C=C/CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604831 1136797882 /nfs/dbraw/zinc/79/78/82/1136797882.db2.gz RWLXHAMWUPUEIN-ROUKRRSUSA-N 2 1 331.504 3.731 20 0 EHADMP CCCCCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599839 1136798551 /nfs/dbraw/zinc/79/85/51/1136798551.db2.gz OFFJBQSGBHXKGA-FQEVSTJZSA-N 2 1 333.520 3.955 20 0 EHADMP CCCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599839 1136798553 /nfs/dbraw/zinc/79/85/53/1136798553.db2.gz OFFJBQSGBHXKGA-FQEVSTJZSA-N 2 1 333.520 3.955 20 0 EHADMP CCCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599839 1136798555 /nfs/dbraw/zinc/79/85/55/1136798555.db2.gz OFFJBQSGBHXKGA-FQEVSTJZSA-N 2 1 333.520 3.955 20 0 EHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856777153 1136810405 /nfs/dbraw/zinc/81/04/05/1136810405.db2.gz QQPDNQQTCYMKHJ-JTQLQIEISA-N 2 1 346.784 3.771 20 0 EHADMP C[C@@]1(C[NH2+][C@H]2CCc3cccnc3CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000817584136 1136824633 /nfs/dbraw/zinc/82/46/33/1136824633.db2.gz SGJXFNFMSGYTPW-GMAHTHKFSA-N 2 1 349.522 3.831 20 0 EHADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000817922865 1136846115 /nfs/dbraw/zinc/84/61/15/1136846115.db2.gz NKNDXZKCKFRHMX-NCXUSEDFSA-N 2 1 330.520 3.742 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000818959788 1136895996 /nfs/dbraw/zinc/89/59/96/1136895996.db2.gz SZXCBPQBRJBWFV-PGRDOPGGSA-N 2 1 338.495 3.742 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818985913 1136896786 /nfs/dbraw/zinc/89/67/86/1136896786.db2.gz ZUNARQNZOGTLQC-CXAGYDPISA-N 2 1 345.314 3.737 20 0 EHADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819151893 1136914376 /nfs/dbraw/zinc/91/43/76/1136914376.db2.gz HIKDBVOHLIPJGK-GUYCJALGSA-N 2 1 345.314 3.594 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C[C@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189265 1136921745 /nfs/dbraw/zinc/92/17/45/1136921745.db2.gz FWPLWJNDQIDMOW-VCOUNFBDSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858169248 1136946141 /nfs/dbraw/zinc/94/61/41/1136946141.db2.gz NYWJMXYDKLGIAP-DOTOQJQBSA-N 2 1 345.487 3.557 20 0 EHADMP COC1(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012912 1136986739 /nfs/dbraw/zinc/98/67/39/1136986739.db2.gz JSVJINKIVHKFRO-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012912 1136986742 /nfs/dbraw/zinc/98/67/42/1136986742.db2.gz JSVJINKIVHKFRO-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012912 1136986745 /nfs/dbraw/zinc/98/67/45/1136986745.db2.gz JSVJINKIVHKFRO-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012912 1136986748 /nfs/dbraw/zinc/98/67/48/1136986748.db2.gz JSVJINKIVHKFRO-UYAOXDASSA-N 2 1 330.516 3.931 20 0 EHADMP OC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000820812862 1137005351 /nfs/dbraw/zinc/00/53/51/1137005351.db2.gz UJDZODOBPJOEIM-WRBWDUGDSA-N 2 1 342.527 3.713 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(Br)n2)cc1 ZINC000859211905 1137007976 /nfs/dbraw/zinc/00/79/76/1137007976.db2.gz CILZVRFDCZLRCU-UHFFFAOYSA-N 2 1 348.288 3.538 20 0 EHADMP CS[C@H]1CC[C@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000822446316 1137060179 /nfs/dbraw/zinc/06/01/79/1137060179.db2.gz DQKYZURISVENQQ-MOPGFXCFSA-N 2 1 333.545 3.771 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cc(F)ncc2F)CC1)CC(C)C ZINC000824388193 1137136395 /nfs/dbraw/zinc/13/63/95/1137136395.db2.gz BBDJQTFUMASCJO-UHFFFAOYSA-N 2 1 339.474 3.940 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(F)ncc2F)CC1)CC(C)C ZINC000824388193 1137136396 /nfs/dbraw/zinc/13/63/96/1137136396.db2.gz BBDJQTFUMASCJO-UHFFFAOYSA-N 2 1 339.474 3.940 20 0 EHADMP NC[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171110637 1137202938 /nfs/dbraw/zinc/20/29/38/1137202938.db2.gz DVWVPAGKTWVING-UXHICEINSA-N 2 1 326.871 3.583 20 0 EHADMP NC[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171110637 1137202940 /nfs/dbraw/zinc/20/29/40/1137202940.db2.gz DVWVPAGKTWVING-UXHICEINSA-N 2 1 326.871 3.583 20 0 EHADMP FC1(F)C[C@]12CCC[NH+](C/C=C\C[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442381 1137223893 /nfs/dbraw/zinc/22/38/93/1137223893.db2.gz XVTALFXRULUNRL-GTVVJKOOSA-N 2 1 346.412 3.785 20 0 EHADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171139302 1137238445 /nfs/dbraw/zinc/23/84/45/1137238445.db2.gz LAZMSGFBNPJKTJ-GJZGRUSLSA-N 2 1 327.299 3.925 20 0 EHADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171139301 1137238541 /nfs/dbraw/zinc/23/85/41/1137238541.db2.gz LAZMSGFBNPJKTJ-CABCVRRESA-N 2 1 327.299 3.925 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1)CC(C)C ZINC000844696545 1137248312 /nfs/dbraw/zinc/24/83/12/1137248312.db2.gz BBPRMVPWLCMVJZ-UHFFFAOYSA-N 2 1 349.563 3.569 20 0 EHADMP c1nc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cn1C1CC1 ZINC000865438163 1137283521 /nfs/dbraw/zinc/28/35/21/1137283521.db2.gz NGMSELQOHVVLGA-UHFFFAOYSA-N 2 1 338.499 3.884 20 0 EHADMP COc1cncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1C ZINC000865436397 1137283732 /nfs/dbraw/zinc/28/37/32/1137283732.db2.gz DBLODWVYFWBLCJ-UHFFFAOYSA-N 2 1 331.504 3.533 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246571288 1137301630 /nfs/dbraw/zinc/30/16/30/1137301630.db2.gz BAUVMNHIVFVRNR-RHSMWYFYSA-N 2 1 339.321 3.831 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000866256631 1137340041 /nfs/dbraw/zinc/34/00/41/1137340041.db2.gz AUKXCIYYBSBITK-KNQAVFIVSA-N 2 1 337.511 3.557 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866260703 1137340214 /nfs/dbraw/zinc/34/02/14/1137340214.db2.gz WGVLKLRAMFLVFD-NWDGAFQWSA-N 2 1 332.835 3.973 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866563554 1137364985 /nfs/dbraw/zinc/36/49/85/1137364985.db2.gz NHXXIXAOGWLPPH-JXHRLWIKSA-N 2 1 349.522 3.673 20 0 EHADMP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866709731 1137375014 /nfs/dbraw/zinc/37/50/14/1137375014.db2.gz ZNEDONDCLLEGKU-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1ccc(-c2cnc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866709731 1137375015 /nfs/dbraw/zinc/37/50/15/1137375015.db2.gz ZNEDONDCLLEGKU-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1cc[nH+]c2cc(NCc3ccccc3N3CC[NH2+]CC3)ccc12 ZINC001171285292 1137394243 /nfs/dbraw/zinc/39/42/43/1137394243.db2.gz KJXLBNHZSLVMKJ-UHFFFAOYSA-N 2 1 332.451 3.565 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072824 1137463244 /nfs/dbraw/zinc/46/32/44/1137463244.db2.gz CHZOPDMGUZUSMT-RBUKOAKNSA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072824 1137463245 /nfs/dbraw/zinc/46/32/45/1137463245.db2.gz CHZOPDMGUZUSMT-RBUKOAKNSA-N 2 1 340.515 3.891 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@@H](C)C1 ZINC000339095011 1137467465 /nfs/dbraw/zinc/46/74/65/1137467465.db2.gz CTGSYGXWTZCWJT-LAUBAEHRSA-N 2 1 347.547 3.740 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@@H](C)C1 ZINC000339095011 1137467468 /nfs/dbraw/zinc/46/74/68/1137467468.db2.gz CTGSYGXWTZCWJT-LAUBAEHRSA-N 2 1 347.547 3.740 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000712450650 1137468145 /nfs/dbraw/zinc/46/81/45/1137468145.db2.gz JCCHJGJNVSLKLW-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cn2cccnc2=S)CC1)CC(C)C ZINC000773272973 1137483749 /nfs/dbraw/zinc/48/37/49/1137483749.db2.gz UAKIYWKCJQKLJA-UHFFFAOYSA-N 2 1 336.549 3.650 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cn2cccnc2=S)CC1)CC(C)C ZINC000773272973 1137483751 /nfs/dbraw/zinc/48/37/51/1137483751.db2.gz UAKIYWKCJQKLJA-UHFFFAOYSA-N 2 1 336.549 3.650 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(Br)nc2)CC1(C)C ZINC001171614371 1137500586 /nfs/dbraw/zinc/50/05/86/1137500586.db2.gz YMRKPXTXQXQSQU-UHFFFAOYSA-N 2 1 340.309 3.585 20 0 EHADMP C[NH+]1C(C)(C)CC(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1(C)C ZINC001171627013 1137501502 /nfs/dbraw/zinc/50/15/02/1137501502.db2.gz IUFCGCCQFIAHFB-SFHVURJKSA-N 2 1 335.580 3.882 20 0 EHADMP Cc1cccnc1O[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641925 1137504757 /nfs/dbraw/zinc/50/47/57/1137504757.db2.gz WIGPQBRFTHUOEU-GOSISDBHSA-N 2 1 345.531 3.885 20 0 EHADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001171644572 1137505189 /nfs/dbraw/zinc/50/51/89/1137505189.db2.gz FOGIBORYRQVUIR-CVEARBPZSA-N 2 1 338.536 3.549 20 0 EHADMP C[C@H]1C[C@H](n2ccc3cc(CC[NH3+])ccc32)C[N@H+]1Cc1ccccc1 ZINC001171733724 1137507053 /nfs/dbraw/zinc/50/70/53/1137507053.db2.gz YGRSKECQCBOIDA-UWJYYQICSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@H]1C[C@@H](n2c(CC[NH3+])cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733088 1137507186 /nfs/dbraw/zinc/50/71/86/1137507186.db2.gz IFDQUWZLGSQPQA-LAUBAEHRSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccc(Cl)cc2)C[N@H+]1Cc1ccccc1 ZINC001171738755 1137510805 /nfs/dbraw/zinc/51/08/05/1137510805.db2.gz NFIGEQNBYCJYAT-KDOFPFPSSA-N 2 1 342.874 3.703 20 0 EHADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967486 1137520633 /nfs/dbraw/zinc/52/06/33/1137520633.db2.gz ANGJQABVFMCXHQ-PMACEKPBSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967486 1137520634 /nfs/dbraw/zinc/52/06/34/1137520634.db2.gz ANGJQABVFMCXHQ-PMACEKPBSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967486 1137520635 /nfs/dbraw/zinc/52/06/35/1137520635.db2.gz ANGJQABVFMCXHQ-PMACEKPBSA-N 2 1 329.532 3.502 20 0 EHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969167 1137523383 /nfs/dbraw/zinc/52/33/83/1137523383.db2.gz ZORNABNZDZEWMD-BHYGNILZSA-N 2 1 340.433 3.910 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969167 1137523384 /nfs/dbraw/zinc/52/33/84/1137523384.db2.gz ZORNABNZDZEWMD-BHYGNILZSA-N 2 1 340.433 3.910 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969167 1137523385 /nfs/dbraw/zinc/52/33/85/1137523385.db2.gz ZORNABNZDZEWMD-BHYGNILZSA-N 2 1 340.433 3.910 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171972533 1137524207 /nfs/dbraw/zinc/52/42/07/1137524207.db2.gz QXGOPSDTBMLJGF-NRFANRHFSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171972533 1137524208 /nfs/dbraw/zinc/52/42/08/1137524208.db2.gz QXGOPSDTBMLJGF-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC1(C)C[C@@H](N2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976354 1137525523 /nfs/dbraw/zinc/52/55/23/1137525523.db2.gz KIJYHFVFVMWFBC-NRFANRHFSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977985 1137525728 /nfs/dbraw/zinc/52/57/28/1137525728.db2.gz VOVAFWDZMBGWPL-FPOVZHCZSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977985 1137525730 /nfs/dbraw/zinc/52/57/30/1137525730.db2.gz VOVAFWDZMBGWPL-FPOVZHCZSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977985 1137525731 /nfs/dbraw/zinc/52/57/31/1137525731.db2.gz VOVAFWDZMBGWPL-FPOVZHCZSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H](N2CC[NH+]3CCCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979247 1137526265 /nfs/dbraw/zinc/52/62/65/1137526265.db2.gz ABSGEICKDZTJNM-RTWAWAEBSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CC[N@@H+]3CCCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979247 1137526266 /nfs/dbraw/zinc/52/62/66/1137526266.db2.gz ABSGEICKDZTJNM-RTWAWAEBSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CC[N@H+]3CCCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979247 1137526267 /nfs/dbraw/zinc/52/62/67/1137526267.db2.gz ABSGEICKDZTJNM-RTWAWAEBSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171980066 1137526396 /nfs/dbraw/zinc/52/63/96/1137526396.db2.gz SEMYCDMMELKXNK-SFHLNBCPSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984287 1137527085 /nfs/dbraw/zinc/52/70/85/1137527085.db2.gz UNPDWZJZOLLRLW-APWZRJJASA-N 2 1 326.488 3.514 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984287 1137527087 /nfs/dbraw/zinc/52/70/87/1137527087.db2.gz UNPDWZJZOLLRLW-APWZRJJASA-N 2 1 326.488 3.514 20 0 EHADMP CCCO[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985559 1137527183 /nfs/dbraw/zinc/52/71/83/1137527183.db2.gz XWRHYCKRRVVUEI-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985559 1137527185 /nfs/dbraw/zinc/52/71/85/1137527185.db2.gz XWRHYCKRRVVUEI-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985559 1137527187 /nfs/dbraw/zinc/52/71/87/1137527187.db2.gz XWRHYCKRRVVUEI-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CC[N@@H+](C)C1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987609 1137527649 /nfs/dbraw/zinc/52/76/49/1137527649.db2.gz YDKSQCQAKLVBRS-NRFANRHFSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+](C)C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987609 1137527650 /nfs/dbraw/zinc/52/76/50/1137527650.db2.gz YDKSQCQAKLVBRS-NRFANRHFSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+](C)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987609 1137527651 /nfs/dbraw/zinc/52/76/51/1137527651.db2.gz YDKSQCQAKLVBRS-NRFANRHFSA-N 2 1 343.559 3.846 20 0 EHADMP CO[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988306 1137527664 /nfs/dbraw/zinc/52/76/64/1137527664.db2.gz RGXQIKBUMBJYQH-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988306 1137527666 /nfs/dbraw/zinc/52/76/66/1137527666.db2.gz RGXQIKBUMBJYQH-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988306 1137527667 /nfs/dbraw/zinc/52/76/67/1137527667.db2.gz RGXQIKBUMBJYQH-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP C[N@@H+](C1CC1)[C@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986335 1137528081 /nfs/dbraw/zinc/52/80/81/1137528081.db2.gz GRIMERYXPKOZAT-RTWAWAEBSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986335 1137528083 /nfs/dbraw/zinc/52/80/83/1137528083.db2.gz GRIMERYXPKOZAT-RTWAWAEBSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986335 1137528084 /nfs/dbraw/zinc/52/80/84/1137528084.db2.gz GRIMERYXPKOZAT-RTWAWAEBSA-N 2 1 341.543 3.598 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCOC2)C3)cc1 ZINC001172061139 1137529312 /nfs/dbraw/zinc/52/93/12/1137529312.db2.gz FTLZBHWVCOOXBB-BURNTYAHSA-N 2 1 328.500 3.588 20 0 EHADMP C[N@H+]1CCC[C@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172071764 1137529640 /nfs/dbraw/zinc/52/96/40/1137529640.db2.gz YRNWYMYQPCMZDW-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071764 1137529641 /nfs/dbraw/zinc/52/96/41/1137529641.db2.gz YRNWYMYQPCMZDW-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071764 1137529642 /nfs/dbraw/zinc/52/96/42/1137529642.db2.gz YRNWYMYQPCMZDW-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071764 1137529644 /nfs/dbraw/zinc/52/96/44/1137529644.db2.gz YRNWYMYQPCMZDW-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071764 1137529645 /nfs/dbraw/zinc/52/96/45/1137529645.db2.gz YRNWYMYQPCMZDW-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073820 1137529677 /nfs/dbraw/zinc/52/96/77/1137529677.db2.gz CQVIEANVHIMGGX-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073820 1137529679 /nfs/dbraw/zinc/52/96/79/1137529679.db2.gz CQVIEANVHIMGGX-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073820 1137529680 /nfs/dbraw/zinc/52/96/80/1137529680.db2.gz CQVIEANVHIMGGX-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073820 1137529682 /nfs/dbraw/zinc/52/96/82/1137529682.db2.gz CQVIEANVHIMGGX-CBPXPLCBSA-N 2 1 340.511 3.827 20 0 EHADMP CO[C@H](C)C1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086572 1137532020 /nfs/dbraw/zinc/53/20/20/1137532020.db2.gz HLOVXRBHJWXIDX-DBOLQNLKSA-N 2 1 328.500 3.539 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068124 1137534303 /nfs/dbraw/zinc/53/43/03/1137534303.db2.gz HNOKUSNHMVFXEO-CLAROIROSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068124 1137534304 /nfs/dbraw/zinc/53/43/04/1137534304.db2.gz HNOKUSNHMVFXEO-CLAROIROSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068124 1137534305 /nfs/dbraw/zinc/53/43/05/1137534305.db2.gz HNOKUSNHMVFXEO-CLAROIROSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@]4(CCOC4)C2)C3)cc1 ZINC001172068124 1137534306 /nfs/dbraw/zinc/53/43/06/1137534306.db2.gz HNOKUSNHMVFXEO-CLAROIROSA-N 2 1 340.511 3.685 20 0 EHADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069639 1137534846 /nfs/dbraw/zinc/53/48/46/1137534846.db2.gz WFQWSIHBBFCABP-KPACCLEDSA-N 2 1 328.500 3.587 20 0 EHADMP OC[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069915 1137535089 /nfs/dbraw/zinc/53/50/89/1137535089.db2.gz VTPIMUQAQZPGOC-YUMYIRISSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069915 1137535090 /nfs/dbraw/zinc/53/50/90/1137535090.db2.gz VTPIMUQAQZPGOC-YUMYIRISSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069915 1137535091 /nfs/dbraw/zinc/53/50/91/1137535091.db2.gz VTPIMUQAQZPGOC-YUMYIRISSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069915 1137535092 /nfs/dbraw/zinc/53/50/92/1137535092.db2.gz VTPIMUQAQZPGOC-YUMYIRISSA-N 2 1 342.527 3.667 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104300 1137536337 /nfs/dbraw/zinc/53/63/37/1137536337.db2.gz BJKTVXLYSUOWKK-WOZUAGRISA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104300 1137536338 /nfs/dbraw/zinc/53/63/38/1137536338.db2.gz BJKTVXLYSUOWKK-WOZUAGRISA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+](Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120319 1137538180 /nfs/dbraw/zinc/53/81/80/1137538180.db2.gz JQHZKJJSCMXDMS-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120319 1137538182 /nfs/dbraw/zinc/53/81/82/1137538182.db2.gz JQHZKJJSCMXDMS-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120319 1137538183 /nfs/dbraw/zinc/53/81/83/1137538183.db2.gz JQHZKJJSCMXDMS-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118278 1137538192 /nfs/dbraw/zinc/53/81/92/1137538192.db2.gz QWAQRAWDIXOQBH-PHZGNYQRSA-N 2 1 337.305 3.862 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3cccc(Br)c3C1)C2 ZINC001172120402 1137538256 /nfs/dbraw/zinc/53/82/56/1137538256.db2.gz KPVYIHMDRXTFHZ-ZSHCYNCHSA-N 2 1 349.316 3.823 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3cccc(Br)c3C1)C2 ZINC001172120402 1137538258 /nfs/dbraw/zinc/53/82/58/1137538258.db2.gz KPVYIHMDRXTFHZ-ZSHCYNCHSA-N 2 1 349.316 3.823 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cccc(Br)c3C1)C2 ZINC001172120402 1137538259 /nfs/dbraw/zinc/53/82/59/1137538259.db2.gz KPVYIHMDRXTFHZ-ZSHCYNCHSA-N 2 1 349.316 3.823 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cccc(Br)c3C1)C2 ZINC001172120402 1137538261 /nfs/dbraw/zinc/53/82/61/1137538261.db2.gz KPVYIHMDRXTFHZ-ZSHCYNCHSA-N 2 1 349.316 3.823 20 0 EHADMP CCc1cc2c(cc1CC)CC([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172115617 1137538320 /nfs/dbraw/zinc/53/83/20/1137538320.db2.gz TZULDDIZAOXBDH-KOUNCHBCSA-N 2 1 326.528 3.884 20 0 EHADMP CCc1cc2c(cc1CC)CC([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172115617 1137538322 /nfs/dbraw/zinc/53/83/22/1137538322.db2.gz TZULDDIZAOXBDH-KOUNCHBCSA-N 2 1 326.528 3.884 20 0 EHADMP C[N@H+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116696 1137538520 /nfs/dbraw/zinc/53/85/20/1137538520.db2.gz BXDUNLJAJOUYLS-BTTYYORXSA-N 2 1 327.394 3.548 20 0 EHADMP C[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116696 1137538521 /nfs/dbraw/zinc/53/85/21/1137538521.db2.gz BXDUNLJAJOUYLS-BTTYYORXSA-N 2 1 327.394 3.548 20 0 EHADMP C[NH+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116696 1137538523 /nfs/dbraw/zinc/53/85/23/1137538523.db2.gz BXDUNLJAJOUYLS-BTTYYORXSA-N 2 1 327.394 3.548 20 0 EHADMP C[NH+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116696 1137538524 /nfs/dbraw/zinc/53/85/24/1137538524.db2.gz BXDUNLJAJOUYLS-BTTYYORXSA-N 2 1 327.394 3.548 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC001172254491 1137544966 /nfs/dbraw/zinc/54/49/66/1137544966.db2.gz NVQJFNJPJCAITB-LJQANCHMSA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC001172254491 1137544967 /nfs/dbraw/zinc/54/49/67/1137544967.db2.gz NVQJFNJPJCAITB-LJQANCHMSA-N 2 1 336.907 3.978 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172329199 1137550728 /nfs/dbraw/zinc/55/07/28/1137550728.db2.gz GEKXBKDREPDLPJ-XDNAFOTISA-N 2 1 336.545 3.705 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172329199 1137550730 /nfs/dbraw/zinc/55/07/30/1137550730.db2.gz GEKXBKDREPDLPJ-XDNAFOTISA-N 2 1 336.545 3.705 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172329199 1137550731 /nfs/dbraw/zinc/55/07/31/1137550731.db2.gz GEKXBKDREPDLPJ-XDNAFOTISA-N 2 1 336.545 3.705 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172329199 1137550733 /nfs/dbraw/zinc/55/07/33/1137550733.db2.gz GEKXBKDREPDLPJ-XDNAFOTISA-N 2 1 336.545 3.705 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000872025810 1137565664 /nfs/dbraw/zinc/56/56/64/1137565664.db2.gz UCHQETPDFGBGRK-YQVWRLOYSA-N 2 1 344.499 3.688 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000872025809 1137565784 /nfs/dbraw/zinc/56/57/84/1137565784.db2.gz UCHQETPDFGBGRK-JENIJYKNSA-N 2 1 344.499 3.688 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 ZINC000872110590 1137571780 /nfs/dbraw/zinc/57/17/80/1137571780.db2.gz ZWUZHNSELDEWCR-LDRHYZDKSA-N 2 1 325.456 3.789 20 0 EHADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872154908 1137573995 /nfs/dbraw/zinc/57/39/95/1137573995.db2.gz DVLKBFPLPOTSGB-LBPRGKRZSA-N 2 1 346.302 3.771 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157725 1137574239 /nfs/dbraw/zinc/57/42/39/1137574239.db2.gz QFBSXZAMIGZIAD-CPUCHLNUSA-N 2 1 332.492 3.628 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157725 1137574240 /nfs/dbraw/zinc/57/42/40/1137574240.db2.gz QFBSXZAMIGZIAD-CPUCHLNUSA-N 2 1 332.492 3.628 20 0 EHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1)C1CCCC1 ZINC000872158003 1137574250 /nfs/dbraw/zinc/57/42/50/1137574250.db2.gz RGKKDSHGLQEJOQ-OCCSQVGLSA-N 2 1 327.925 3.916 20 0 EHADMP CC1([NH+]2CCCCC2)CCN(c2cc[nH+]cc2Br)CC1 ZINC000872662247 1137582548 /nfs/dbraw/zinc/58/25/48/1137582548.db2.gz HENUNYHWDAOROV-UHFFFAOYSA-N 2 1 338.293 3.689 20 0 EHADMP COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1F ZINC000873212786 1137594089 /nfs/dbraw/zinc/59/40/89/1137594089.db2.gz SJMPYPSVFZDWSC-CQSZACIVSA-N 2 1 346.471 3.531 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1O ZINC000873231288 1137594526 /nfs/dbraw/zinc/59/45/26/1137594526.db2.gz CPENDUUQRRXOMW-YJBOKZPZSA-N 2 1 332.488 3.520 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125213996 1137626562 /nfs/dbraw/zinc/62/65/62/1137626562.db2.gz HMIFVSYFWLIMEC-MOPGFXCFSA-N 2 1 344.524 3.768 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125213996 1137626563 /nfs/dbraw/zinc/62/65/63/1137626563.db2.gz HMIFVSYFWLIMEC-MOPGFXCFSA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125213996 1137626564 /nfs/dbraw/zinc/62/65/64/1137626564.db2.gz HMIFVSYFWLIMEC-MOPGFXCFSA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125213996 1137626565 /nfs/dbraw/zinc/62/65/65/1137626565.db2.gz HMIFVSYFWLIMEC-MOPGFXCFSA-N 2 1 344.524 3.768 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638435 1137683984 /nfs/dbraw/zinc/68/39/84/1137683984.db2.gz GSNKLXMFQILSOL-RDJZCZTQSA-N 2 1 334.554 3.750 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638435 1137683985 /nfs/dbraw/zinc/68/39/85/1137683985.db2.gz GSNKLXMFQILSOL-RDJZCZTQSA-N 2 1 334.554 3.750 20 0 EHADMP C=C/C=C\CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000879018725 1137735379 /nfs/dbraw/zinc/73/53/79/1137735379.db2.gz IAGSTNXEBDSWSU-HCZHMGAMSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C\CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018725 1137735380 /nfs/dbraw/zinc/73/53/80/1137735380.db2.gz IAGSTNXEBDSWSU-HCZHMGAMSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C\CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018725 1137735381 /nfs/dbraw/zinc/73/53/81/1137735381.db2.gz IAGSTNXEBDSWSU-HCZHMGAMSA-N 2 1 329.488 3.507 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccnc(Br)c1 ZINC000880517147 1137780414 /nfs/dbraw/zinc/78/04/14/1137780414.db2.gz JLOYOZOOHXFBKP-UHFFFAOYSA-N 2 1 340.309 3.542 20 0 EHADMP Clc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1 ZINC000128910946 1137804717 /nfs/dbraw/zinc/80/47/17/1137804717.db2.gz DBTBSPYEZTXXIX-UHFFFAOYSA-N 2 1 338.842 3.605 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000348273060 1137891785 /nfs/dbraw/zinc/89/17/85/1137891785.db2.gz RWTMWRZZHXSQDW-FQEVSTJZSA-N 2 1 338.430 3.885 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331657742 1137916188 /nfs/dbraw/zinc/91/61/88/1137916188.db2.gz LOTLFCQKGCMQEI-MDZRGWNJSA-N 2 1 329.488 3.852 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331657687 1137916232 /nfs/dbraw/zinc/91/62/32/1137916232.db2.gz LOTLFCQKGCMQEI-GPMSIDNRSA-N 2 1 329.488 3.852 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202696728 1137929826 /nfs/dbraw/zinc/92/98/26/1137929826.db2.gz WXVQYRZYXBLVQN-VXKWHMMOSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202696728 1137929827 /nfs/dbraw/zinc/92/98/27/1137929827.db2.gz WXVQYRZYXBLVQN-VXKWHMMOSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202696728 1137929828 /nfs/dbraw/zinc/92/98/28/1137929828.db2.gz WXVQYRZYXBLVQN-VXKWHMMOSA-N 2 1 342.527 3.647 20 0 EHADMP C[C@@H](c1cccnc1)[NH+](C)CCCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000118401369 1137933669 /nfs/dbraw/zinc/93/36/69/1137933669.db2.gz IZAHMMSXYLRFAD-ROUUACIJSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)CC[N@H+]1C ZINC000120216981 1137947390 /nfs/dbraw/zinc/94/73/90/1137947390.db2.gz UXTVNHZCRRIUNW-XJKSGUPXSA-N 2 1 337.305 3.553 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000886151755 1138052858 /nfs/dbraw/zinc/05/28/58/1138052858.db2.gz RWDRIRHQRKLDKK-HKBOAZHASA-N 2 1 342.527 3.803 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000886528606 1138090896 /nfs/dbraw/zinc/09/08/96/1138090896.db2.gz OSQUGTBMLPXPHG-LAUBAEHRSA-N 2 1 340.515 3.932 20 0 EHADMP COCC1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886627280 1138103574 /nfs/dbraw/zinc/10/35/74/1138103574.db2.gz XTRDXKXBGGMSBF-CWCCKTLESA-N 2 1 342.527 3.834 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000072965557 1138109567 /nfs/dbraw/zinc/10/95/67/1138109567.db2.gz JEJHAYOAWUXCOZ-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000072965557 1138109569 /nfs/dbraw/zinc/10/95/69/1138109569.db2.gz JEJHAYOAWUXCOZ-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000072965557 1138109570 /nfs/dbraw/zinc/10/95/70/1138109570.db2.gz JEJHAYOAWUXCOZ-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000072965557 1138109571 /nfs/dbraw/zinc/10/95/71/1138109571.db2.gz JEJHAYOAWUXCOZ-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000089512995 1138200465 /nfs/dbraw/zinc/20/04/65/1138200465.db2.gz GPRZQTORLFTKAL-QGZVFWFLSA-N 3 1 347.547 3.541 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000089908032 1138207335 /nfs/dbraw/zinc/20/73/35/1138207335.db2.gz JEDBQAKZKDKTFE-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000089908032 1138207336 /nfs/dbraw/zinc/20/73/36/1138207336.db2.gz JEDBQAKZKDKTFE-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908032 1138207339 /nfs/dbraw/zinc/20/73/39/1138207339.db2.gz JEDBQAKZKDKTFE-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908032 1138207341 /nfs/dbraw/zinc/20/73/41/1138207341.db2.gz JEDBQAKZKDKTFE-YJBOKZPZSA-N 2 1 347.503 3.948 20 0 EHADMP C[NH+](Cc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000089938923 1138207842 /nfs/dbraw/zinc/20/78/42/1138207842.db2.gz MJSLMTACQWABNQ-QZTJIDSGSA-N 2 1 336.570 3.561 20 0 EHADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066656 1138224772 /nfs/dbraw/zinc/22/47/72/1138224772.db2.gz FXFPODBCZIMVHW-WESDXNOOSA-N 2 1 326.484 3.657 20 0 EHADMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066656 1138224776 /nfs/dbraw/zinc/22/47/76/1138224776.db2.gz FXFPODBCZIMVHW-WESDXNOOSA-N 2 1 326.484 3.657 20 0 EHADMP COc1ccccc1/C=C/C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066656 1138224778 /nfs/dbraw/zinc/22/47/78/1138224778.db2.gz FXFPODBCZIMVHW-WESDXNOOSA-N 2 1 326.484 3.657 20 0 EHADMP COc1ccccc1/C=C/C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066656 1138224780 /nfs/dbraw/zinc/22/47/80/1138224780.db2.gz FXFPODBCZIMVHW-WESDXNOOSA-N 2 1 326.484 3.657 20 0 EHADMP CCc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092821117 1138232117 /nfs/dbraw/zinc/23/21/17/1138232117.db2.gz SRWJSZCPKNOGLR-UHFFFAOYSA-N 2 1 344.528 3.839 20 0 EHADMP CCc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092821117 1138232118 /nfs/dbraw/zinc/23/21/18/1138232118.db2.gz SRWJSZCPKNOGLR-UHFFFAOYSA-N 2 1 344.528 3.839 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597809 1138238459 /nfs/dbraw/zinc/23/84/59/1138238459.db2.gz FLDUVWHYWAHSOC-HNNXBMFYSA-N 2 1 344.890 3.648 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597809 1138238461 /nfs/dbraw/zinc/23/84/61/1138238461.db2.gz FLDUVWHYWAHSOC-HNNXBMFYSA-N 2 1 344.890 3.648 20 0 EHADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000093644957 1138239564 /nfs/dbraw/zinc/23/95/64/1138239564.db2.gz LLLWHLADSHKZTE-UKRRQHHQSA-N 2 1 342.430 3.601 20 0 EHADMP CCOc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OC(F)F ZINC000093644957 1138239567 /nfs/dbraw/zinc/23/95/67/1138239567.db2.gz LLLWHLADSHKZTE-UKRRQHHQSA-N 2 1 342.430 3.601 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OC(F)F ZINC000093644957 1138239569 /nfs/dbraw/zinc/23/95/69/1138239569.db2.gz LLLWHLADSHKZTE-UKRRQHHQSA-N 2 1 342.430 3.601 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984658 1138291374 /nfs/dbraw/zinc/29/13/74/1138291374.db2.gz SZFOGORKXMGIRF-ROUUACIJSA-N 2 1 326.525 3.587 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000125004711 1138298811 /nfs/dbraw/zinc/29/88/11/1138298811.db2.gz FAEIYVHQZDWIBE-UHFFFAOYSA-N 2 1 340.511 3.551 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126030757 1138322251 /nfs/dbraw/zinc/32/22/51/1138322251.db2.gz WLIMGTNRNIJVLI-QINHECLXSA-N 2 1 343.515 3.634 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126030757 1138322254 /nfs/dbraw/zinc/32/22/54/1138322254.db2.gz WLIMGTNRNIJVLI-QINHECLXSA-N 2 1 343.515 3.634 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000129863335 1138425369 /nfs/dbraw/zinc/42/53/69/1138425369.db2.gz IPJWSRPUIGDGEB-FXAWDEMLSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000129863741 1138425875 /nfs/dbraw/zinc/42/58/75/1138425875.db2.gz IPJWSRPUIGDGEB-PXNSSMCTSA-N 2 1 330.516 3.966 20 0 EHADMP FC(F)(F)Oc1ccc(CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000091621991 1138430384 /nfs/dbraw/zinc/43/03/84/1138430384.db2.gz MGBGJWDXZIBHBC-AWEZNQCLSA-N 2 1 339.361 3.730 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337430476 1138567062 /nfs/dbraw/zinc/56/70/62/1138567062.db2.gz FDDWAQQCIWUBET-GGPKGHCWSA-N 2 1 345.531 3.994 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000338013420 1138724067 /nfs/dbraw/zinc/72/40/67/1138724067.db2.gz UFDMDPHAVLNCKI-NSHDSACASA-N 2 1 340.240 3.834 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000338013683 1138724261 /nfs/dbraw/zinc/72/42/61/1138724261.db2.gz GBRSFIYZJBBBKL-ZDUSSCGKSA-N 2 1 325.378 3.821 20 0 EHADMP CC(C)[NH2+]C1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000265291896 1138797927 /nfs/dbraw/zinc/79/79/27/1138797927.db2.gz BNSADHDBEYRRKR-UHFFFAOYSA-N 2 1 348.288 3.964 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c3nc(C)ccc23)CC1 ZINC000338308261 1138827265 /nfs/dbraw/zinc/82/72/65/1138827265.db2.gz RUAHLFKSUVNRKI-UHFFFAOYSA-N 2 1 327.472 3.555 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(F)c3)CC2)oc1C ZINC000174080970 1139398587 /nfs/dbraw/zinc/39/85/87/1139398587.db2.gz ATIGHTUGWXMCOC-OAHLLOKOSA-N 2 1 345.462 3.993 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178701680 1139713402 /nfs/dbraw/zinc/71/34/02/1139713402.db2.gz QSDGGWSMJZVXOQ-CVEARBPZSA-N 2 1 337.471 3.673 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178697222 1139713431 /nfs/dbraw/zinc/71/34/31/1139713431.db2.gz ZXSMCJJJXHMOEZ-ZFWWWQNUSA-N 2 1 331.460 3.504 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000181307174 1139898882 /nfs/dbraw/zinc/89/88/82/1139898882.db2.gz URJSLNJMPUKUMY-RHSMWYFYSA-N 2 1 329.513 3.733 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182230008 1139959103 /nfs/dbraw/zinc/95/91/03/1139959103.db2.gz PMQISOSHYZMVMH-GHTZIAJQSA-N 2 1 338.495 3.803 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000182251103 1139961087 /nfs/dbraw/zinc/96/10/87/1139961087.db2.gz OMXGNKVZZBIBQL-QFBILLFUSA-N 2 1 342.483 3.650 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000182251103 1139961090 /nfs/dbraw/zinc/96/10/90/1139961090.db2.gz OMXGNKVZZBIBQL-QFBILLFUSA-N 2 1 342.483 3.650 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc([S@](C)=O)cc1 ZINC000183197874 1140019082 /nfs/dbraw/zinc/01/90/82/1140019082.db2.gz ARAWLAUVPGDBEH-JYPPEDEUSA-N 2 1 348.556 3.728 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187157748 1140242288 /nfs/dbraw/zinc/24/22/88/1140242288.db2.gz NLWAOUFEPDTQSB-QGZVFWFLSA-N 2 1 339.483 3.579 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187157748 1140242293 /nfs/dbraw/zinc/24/22/93/1140242293.db2.gz NLWAOUFEPDTQSB-QGZVFWFLSA-N 2 1 339.483 3.579 20 0 EHADMP COCCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CCCCC1 ZINC000189056786 1140318557 /nfs/dbraw/zinc/31/85/57/1140318557.db2.gz BJFYQTDRHUMKOF-UHFFFAOYSA-N 2 1 342.487 3.652 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000190771396 1140417573 /nfs/dbraw/zinc/41/75/73/1140417573.db2.gz WUNKZIHXFXGWBP-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000190771396 1140417577 /nfs/dbraw/zinc/41/75/77/1140417577.db2.gz WUNKZIHXFXGWBP-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1OC(F)F ZINC000191483971 1140466641 /nfs/dbraw/zinc/46/66/41/1140466641.db2.gz ITQPEHHKQHGGFT-UHFFFAOYSA-N 2 1 337.414 3.959 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1OC(F)F ZINC000191483971 1140466646 /nfs/dbraw/zinc/46/66/46/1140466646.db2.gz ITQPEHHKQHGGFT-UHFFFAOYSA-N 2 1 337.414 3.959 20 0 EHADMP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192492950 1140535113 /nfs/dbraw/zinc/53/51/13/1140535113.db2.gz XAHFMBWVNXQKFW-DYESRHJHSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1cccc(C2=CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000192783617 1140550722 /nfs/dbraw/zinc/55/07/22/1140550722.db2.gz UPDLYNSQWQMFEZ-UHFFFAOYSA-N 2 1 341.543 3.500 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC[C@H]2CCCCO2)C3)cc1 ZINC000193276188 1140568422 /nfs/dbraw/zinc/56/84/22/1140568422.db2.gz IXPMLTWLOLHOMV-OTYNDTSQSA-N 2 1 328.500 3.731 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194004836 1140593974 /nfs/dbraw/zinc/59/39/74/1140593974.db2.gz MAIPPPRMJDWEEH-VAMGGRTRSA-N 2 1 328.500 3.574 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268844665 1141006950 /nfs/dbraw/zinc/00/69/50/1141006950.db2.gz ONHDZACWNLPDGM-DLBZAZTESA-N 2 1 346.519 3.599 20 0 EHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000268896470 1141020039 /nfs/dbraw/zinc/02/00/39/1141020039.db2.gz KGZRIRFTGJEUKY-SJORKVTESA-N 2 1 330.472 3.629 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000268896464 1141020710 /nfs/dbraw/zinc/02/07/10/1141020710.db2.gz KGZRIRFTGJEUKY-DLBZAZTESA-N 2 1 330.472 3.629 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268991670 1141040681 /nfs/dbraw/zinc/04/06/81/1141040681.db2.gz RMYJCDBGKPZSAV-GIVPXCGWSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268991670 1141040688 /nfs/dbraw/zinc/04/06/88/1141040688.db2.gz RMYJCDBGKPZSAV-GIVPXCGWSA-N 2 1 332.532 3.674 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413416 1141220589 /nfs/dbraw/zinc/22/05/89/1141220589.db2.gz DVOOMCNKFFKERY-MOPGFXCFSA-N 2 1 336.907 3.570 20 0 EHADMP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000270479044 1141229168 /nfs/dbraw/zinc/22/91/68/1141229168.db2.gz ANCBBGVKCJRNLZ-UHFFFAOYSA-N 2 1 346.519 3.571 20 0 EHADMP COc1cccc(C=C2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1 ZINC000270578868 1141241099 /nfs/dbraw/zinc/24/10/99/1141241099.db2.gz CJQMVDZTRRDVIL-UHFFFAOYSA-N 2 1 325.456 3.770 20 0 EHADMP COc1ccccc1COC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000271345934 1141348953 /nfs/dbraw/zinc/34/89/53/1141348953.db2.gz GRXQOVJDDMTHKC-LJQANCHMSA-N 2 1 346.515 3.551 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271345787 1141349021 /nfs/dbraw/zinc/34/90/21/1141349021.db2.gz CUUJIFOQLHFANE-LEWJYISDSA-N 2 1 348.506 3.626 20 0 EHADMP C[N@@H+](CCCC1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274243226 1141489030 /nfs/dbraw/zinc/48/90/30/1141489030.db2.gz WTAJBUAWAUXYBT-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](CCCC1CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274243226 1141489032 /nfs/dbraw/zinc/48/90/32/1141489032.db2.gz WTAJBUAWAUXYBT-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](CCCC1CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274243226 1141489033 /nfs/dbraw/zinc/48/90/33/1141489033.db2.gz WTAJBUAWAUXYBT-NRFANRHFSA-N 2 1 330.516 3.647 20 0 EHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc(OCC[NH+](C)C)c1 ZINC000348798524 1141581271 /nfs/dbraw/zinc/58/12/71/1141581271.db2.gz HVDSQAIBEHLIKB-HNNXBMFYSA-N 2 1 338.455 3.687 20 0 EHADMP CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000348962127 1141615941 /nfs/dbraw/zinc/61/59/41/1141615941.db2.gz HHGPHOHETFVXNN-UHFFFAOYSA-N 2 1 336.483 3.726 20 0 EHADMP Clc1sccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470966 1032067633 /nfs/dbraw/zinc/06/76/33/1032067633.db2.gz DLPPNYDFDJFGSY-WMLDXEAASA-N 2 1 334.872 3.747 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603606 1015057379 /nfs/dbraw/zinc/05/73/79/1015057379.db2.gz FSWCVYUTRSPBQU-RHSMWYFYSA-N 2 1 337.305 3.928 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603606 1015057389 /nfs/dbraw/zinc/05/73/89/1015057389.db2.gz FSWCVYUTRSPBQU-RHSMWYFYSA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603606 1015057399 /nfs/dbraw/zinc/05/73/99/1015057399.db2.gz FSWCVYUTRSPBQU-RHSMWYFYSA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001208603606 1015057408 /nfs/dbraw/zinc/05/74/08/1015057408.db2.gz FSWCVYUTRSPBQU-RHSMWYFYSA-N 2 1 337.305 3.928 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000154448521 1015457073 /nfs/dbraw/zinc/45/70/73/1015457073.db2.gz GZJMEMTZUDNNPF-IBGZPJMESA-N 2 1 331.548 3.878 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000647328354 1032117262 /nfs/dbraw/zinc/11/72/62/1032117262.db2.gz RJSHDULFTUIJID-OXJNMPFZSA-N 2 1 342.458 3.977 20 0 EHADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000154540954 1015541464 /nfs/dbraw/zinc/54/14/64/1015541464.db2.gz YTHKVMDYXUSKJS-LJQANCHMSA-N 2 1 337.939 3.798 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047115 1032120093 /nfs/dbraw/zinc/12/00/93/1032120093.db2.gz MZRZTZMMAOKTFE-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047115 1032120099 /nfs/dbraw/zinc/12/00/99/1032120099.db2.gz MZRZTZMMAOKTFE-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047115 1032120101 /nfs/dbraw/zinc/12/01/01/1032120101.db2.gz MZRZTZMMAOKTFE-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047115 1032120112 /nfs/dbraw/zinc/12/01/12/1032120112.db2.gz MZRZTZMMAOKTFE-KSSFIOAISA-N 2 1 345.487 3.865 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1O ZINC000178012097 1016512943 /nfs/dbraw/zinc/51/29/43/1016512943.db2.gz JPAALVNMMRUJSG-VQIMIIECSA-N 2 1 340.467 3.544 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)nc(C)[nH+]1 ZINC000340258360 1016802325 /nfs/dbraw/zinc/80/23/25/1016802325.db2.gz MTYPKYXPDWTDAR-SFHVURJKSA-N 2 1 328.504 3.765 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1Br ZINC000472639869 1016898947 /nfs/dbraw/zinc/89/89/47/1016898947.db2.gz VPTJMYXVWMKADE-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1Br ZINC000472639869 1016898961 /nfs/dbraw/zinc/89/89/61/1016898961.db2.gz VPTJMYXVWMKADE-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Cc1cc([N@@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)ccc1N(C)C ZINC001210043569 1016988314 /nfs/dbraw/zinc/98/83/14/1016988314.db2.gz VVWADGYDGIKWSR-UHFFFAOYSA-N 2 1 336.414 3.719 20 0 EHADMP Cc1cc([N@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)ccc1N(C)C ZINC001210043569 1016988328 /nfs/dbraw/zinc/98/83/28/1016988328.db2.gz VVWADGYDGIKWSR-UHFFFAOYSA-N 2 1 336.414 3.719 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000459463645 1032164314 /nfs/dbraw/zinc/16/43/14/1032164314.db2.gz MOEFSDHOANJUFV-XVAXZDLZSA-N 2 1 328.500 3.540 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463645 1032164322 /nfs/dbraw/zinc/16/43/22/1032164322.db2.gz MOEFSDHOANJUFV-XVAXZDLZSA-N 2 1 328.500 3.540 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463645 1032164327 /nfs/dbraw/zinc/16/43/27/1032164327.db2.gz MOEFSDHOANJUFV-XVAXZDLZSA-N 2 1 328.500 3.540 20 0 EHADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615859 1032174177 /nfs/dbraw/zinc/17/41/77/1032174177.db2.gz BIVDTYGUSFRWMQ-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615859 1032174186 /nfs/dbraw/zinc/17/41/86/1032174186.db2.gz BIVDTYGUSFRWMQ-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP CC(=O)Oc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183689953 1032195099 /nfs/dbraw/zinc/19/50/99/1032195099.db2.gz UUBXUMDYOUNLEK-OAHLLOKOSA-N 2 1 349.434 3.957 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449091388 1032196358 /nfs/dbraw/zinc/19/63/58/1032196358.db2.gz QFWNVLXAQIHURL-MGPQQGTHSA-N 2 1 343.298 3.977 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449091387 1032197636 /nfs/dbraw/zinc/19/76/36/1032197636.db2.gz QFWNVLXAQIHURL-MCIONIFRSA-N 2 1 343.298 3.977 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449145560 1032247892 /nfs/dbraw/zinc/24/78/92/1032247892.db2.gz YAJLYWAEKIJWIV-SIKLNZKXSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000379655710 1032251858 /nfs/dbraw/zinc/25/18/58/1032251858.db2.gz MRHFQBZVYPSLHJ-VQIMIIECSA-N 2 1 338.451 3.558 20 0 EHADMP Cc1cnccc1C[N@@H+](C)[C@@H]1CCC[NH+](Cc2ccncc2C)CC1 ZINC000528421541 1032275130 /nfs/dbraw/zinc/27/51/30/1032275130.db2.gz RHVXJGBLEYEPPU-OAQYLSRUSA-N 2 1 338.499 3.580 20 0 EHADMP Cc1cnccc1C[N@H+](C)[C@@H]1CCC[NH+](Cc2ccncc2C)CC1 ZINC000528421541 1032275135 /nfs/dbraw/zinc/27/51/35/1032275135.db2.gz RHVXJGBLEYEPPU-OAQYLSRUSA-N 2 1 338.499 3.580 20 0 EHADMP Cc1cnccc1C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccncc2C)CC1 ZINC000528421541 1032275140 /nfs/dbraw/zinc/27/51/40/1032275140.db2.gz RHVXJGBLEYEPPU-OAQYLSRUSA-N 2 1 338.499 3.580 20 0 EHADMP Cc1cnccc1C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccncc2C)CC1 ZINC000528421541 1032275144 /nfs/dbraw/zinc/27/51/44/1032275144.db2.gz RHVXJGBLEYEPPU-OAQYLSRUSA-N 2 1 338.499 3.580 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000449179464 1032293110 /nfs/dbraw/zinc/29/31/10/1032293110.db2.gz ZZKIGFKEASLZRW-STZQEDGTSA-N 3 1 343.559 3.544 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449181528 1032294127 /nfs/dbraw/zinc/29/41/27/1032294127.db2.gz HYTZEBBZRFZWJJ-KRWDZBQOSA-N 2 1 344.499 3.843 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449234778 1032330895 /nfs/dbraw/zinc/33/08/95/1032330895.db2.gz RCRJVZCVGZKOMJ-DLBZAZTESA-N 2 1 330.520 3.741 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449234778 1032330905 /nfs/dbraw/zinc/33/09/05/1032330905.db2.gz RCRJVZCVGZKOMJ-DLBZAZTESA-N 2 1 330.520 3.741 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000185199594 1032360139 /nfs/dbraw/zinc/36/01/39/1032360139.db2.gz LBLNQNJGCAJDRY-OAQYLSRUSA-N 2 1 339.483 3.722 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905135118 1032360396 /nfs/dbraw/zinc/36/03/96/1032360396.db2.gz VHQFLWKJHXGRAX-INIZCTEOSA-N 2 1 342.270 3.602 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449239925 1032376862 /nfs/dbraw/zinc/37/68/62/1032376862.db2.gz LWVOVPSNIADTFM-AHJNKEMKSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)Oc1ccccc1 ZINC000536878631 1032381192 /nfs/dbraw/zinc/38/11/92/1032381192.db2.gz TWLAMPLGCWTUDY-NNMXDRDESA-N 2 1 338.495 3.954 20 0 EHADMP CCCC[C@@H](COC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000134046959 1032416711 /nfs/dbraw/zinc/41/67/11/1032416711.db2.gz OKMQVUURYSFPSN-FQEVSTJZSA-N 2 1 336.495 3.627 20 0 EHADMP Cc1ccc(-c2nc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cs2)cc1 ZINC000459722807 1032429317 /nfs/dbraw/zinc/42/93/17/1032429317.db2.gz CAEFMFRWEJQWDD-INIZCTEOSA-N 2 1 329.513 3.940 20 0 EHADMP Clc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000449404570 1032526768 /nfs/dbraw/zinc/52/67/68/1032526768.db2.gz VHNCJNPGDYXOPK-OLZOCXBDSA-N 2 1 329.271 3.589 20 0 EHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000119068135 1032559118 /nfs/dbraw/zinc/55/91/18/1032559118.db2.gz JSTCVZAVCRTSRC-SFHVURJKSA-N 2 1 343.471 3.524 20 0 EHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000119068135 1032559121 /nfs/dbraw/zinc/55/91/21/1032559121.db2.gz JSTCVZAVCRTSRC-SFHVURJKSA-N 2 1 343.471 3.524 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000537295849 1032602356 /nfs/dbraw/zinc/60/23/56/1032602356.db2.gz SKBPXAAMXSPYIM-OWLYRPNTSA-N 2 1 336.545 3.924 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000537295849 1032602369 /nfs/dbraw/zinc/60/23/69/1032602369.db2.gz SKBPXAAMXSPYIM-OWLYRPNTSA-N 2 1 336.545 3.924 20 0 EHADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000537304835 1032608734 /nfs/dbraw/zinc/60/87/34/1032608734.db2.gz WIBNBPFZVXOOBU-XDXAGZTOSA-N 2 1 328.500 3.814 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449486830 1032639652 /nfs/dbraw/zinc/63/96/52/1032639652.db2.gz VNZWDRMTOMLYSO-FPOVZHCZSA-N 2 1 337.511 3.965 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449486830 1032639659 /nfs/dbraw/zinc/63/96/59/1032639659.db2.gz VNZWDRMTOMLYSO-FPOVZHCZSA-N 2 1 337.511 3.965 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449486332 1032641500 /nfs/dbraw/zinc/64/15/00/1032641500.db2.gz UCHDWZDPOMKTTG-FUPPJEDESA-N 2 1 349.522 3.823 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188787933 1017279729 /nfs/dbraw/zinc/27/97/29/1017279729.db2.gz SGNFZRYNBZPYMB-GJZGRUSLSA-N 2 1 336.439 3.996 20 0 EHADMP c1csc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000377195837 1017413425 /nfs/dbraw/zinc/41/34/25/1017413425.db2.gz GRLTUMNXPVQJPO-UHFFFAOYSA-N 2 1 327.497 3.631 20 0 EHADMP c1csc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000377195837 1017413431 /nfs/dbraw/zinc/41/34/31/1017413431.db2.gz GRLTUMNXPVQJPO-UHFFFAOYSA-N 2 1 327.497 3.631 20 0 EHADMP c1csc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000377195837 1017413442 /nfs/dbraw/zinc/41/34/42/1017413442.db2.gz GRLTUMNXPVQJPO-UHFFFAOYSA-N 2 1 327.497 3.631 20 0 EHADMP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1C ZINC000655700509 1017416879 /nfs/dbraw/zinc/41/68/79/1017416879.db2.gz LOBPLMYBAPWHIH-IBGZPJMESA-N 2 1 341.499 3.518 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415034774 1017440989 /nfs/dbraw/zinc/44/09/89/1017440989.db2.gz DBRKERYXGLHFHZ-QAPCUYQASA-N 2 1 329.875 3.852 20 0 EHADMP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000449513931 1032701054 /nfs/dbraw/zinc/70/10/54/1032701054.db2.gz UPFWQSNBLUIOKM-SFTDATJTSA-N 2 1 332.532 3.530 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000564782293 1017507446 /nfs/dbraw/zinc/50/74/46/1017507446.db2.gz BOEBUKAADCWMBH-ZIAGYGMSSA-N 2 1 340.309 3.617 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000655779988 1017588463 /nfs/dbraw/zinc/58/84/63/1017588463.db2.gz DBKOAONGRNGOFM-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCC(C)C ZINC000415137220 1017600873 /nfs/dbraw/zinc/60/08/73/1017600873.db2.gz YACLPXVJZPCGNE-WMZOPIPTSA-N 2 1 334.504 3.537 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000415139923 1017604351 /nfs/dbraw/zinc/60/43/51/1017604351.db2.gz XWEKCRCFRWIZGZ-UHFFFAOYSA-N 2 1 339.199 3.509 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000415139923 1017604355 /nfs/dbraw/zinc/60/43/55/1017604355.db2.gz XWEKCRCFRWIZGZ-UHFFFAOYSA-N 2 1 339.199 3.509 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000655942171 1017969710 /nfs/dbraw/zinc/96/97/10/1017969710.db2.gz KECRHJOYUDMIMF-SBHAEUEKSA-N 2 1 346.515 3.679 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccncc1F ZINC000340473621 1017997136 /nfs/dbraw/zinc/99/71/36/1017997136.db2.gz ITEGFIIKLZAQSX-MRXNPFEDSA-N 2 1 345.462 3.792 20 0 EHADMP Cn1ncc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C1CC1 ZINC000893020272 1018180735 /nfs/dbraw/zinc/18/07/35/1018180735.db2.gz PFMAVXACABPTAX-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C1CC1 ZINC000893020272 1018180750 /nfs/dbraw/zinc/18/07/50/1018180750.db2.gz PFMAVXACABPTAX-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C1CC1 ZINC000893020272 1018180754 /nfs/dbraw/zinc/18/07/54/1018180754.db2.gz PFMAVXACABPTAX-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000462107837 1018574428 /nfs/dbraw/zinc/57/44/28/1018574428.db2.gz ZZCOHTNJFHSIQH-LJQANCHMSA-N 2 1 336.907 3.882 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000052120024 1018752896 /nfs/dbraw/zinc/75/28/96/1018752896.db2.gz XOCNXCWVPSCQKZ-UHFFFAOYSA-N 2 1 338.436 3.851 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000052209441 1018868910 /nfs/dbraw/zinc/86/89/10/1018868910.db2.gz HSIBSXFNUJAPGZ-UHFFFAOYSA-N 2 1 342.487 3.681 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000052209441 1018868930 /nfs/dbraw/zinc/86/89/30/1018868930.db2.gz HSIBSXFNUJAPGZ-UHFFFAOYSA-N 2 1 342.487 3.681 20 0 EHADMP c1sc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1C1CCCCC1 ZINC000246474094 1018895727 /nfs/dbraw/zinc/89/57/27/1018895727.db2.gz QSGWSDZFVNFZMF-SJORKVTESA-N 2 1 333.545 3.950 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000894187164 1019097825 /nfs/dbraw/zinc/09/78/25/1019097825.db2.gz ZRLFZUAWUFHVFF-HZPDHXFCSA-N 2 1 327.472 3.751 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000580452156 1019391869 /nfs/dbraw/zinc/39/18/69/1019391869.db2.gz PHUBAVSCAARURR-RTBURBONSA-N 2 1 332.532 3.989 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000580452156 1019391882 /nfs/dbraw/zinc/39/18/82/1019391882.db2.gz PHUBAVSCAARURR-RTBURBONSA-N 2 1 332.532 3.989 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000580551532 1019625773 /nfs/dbraw/zinc/62/57/73/1019625773.db2.gz QLMZYSVECCJLMA-CVEARBPZSA-N 2 1 326.406 3.569 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)CC1 ZINC000500982277 1019713792 /nfs/dbraw/zinc/71/37/92/1019713792.db2.gz YFHKFIICCUNPIC-ROUUACIJSA-N 2 1 347.522 3.549 20 0 EHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000513482793 1019721385 /nfs/dbraw/zinc/72/13/85/1019721385.db2.gz HOMZGZNAYOSEGL-LJQANCHMSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513482793 1019721401 /nfs/dbraw/zinc/72/14/01/1019721401.db2.gz HOMZGZNAYOSEGL-LJQANCHMSA-N 2 1 343.559 3.894 20 0 EHADMP Cc1csc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513506850 1019749415 /nfs/dbraw/zinc/74/94/15/1019749415.db2.gz SAJSEPGSDTZOEY-FUHWJXTLSA-N 2 1 329.513 3.842 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000513517158 1019766607 /nfs/dbraw/zinc/76/66/07/1019766607.db2.gz FPBYFJBVSADGBO-XAVZPLJISA-N 2 1 336.907 3.570 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000684112034 1020241072 /nfs/dbraw/zinc/24/10/72/1020241072.db2.gz JUGNDYVZTYGVJZ-SQNIBIBYSA-N 2 1 332.536 3.546 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000684112034 1020241080 /nfs/dbraw/zinc/24/10/80/1020241080.db2.gz JUGNDYVZTYGVJZ-SQNIBIBYSA-N 2 1 332.536 3.546 20 0 EHADMP Cc1ccc(O)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000093844516 1032915339 /nfs/dbraw/zinc/91/53/39/1032915339.db2.gz LENRMJFQTNCRPG-KRWDZBQOSA-N 2 1 331.504 3.572 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206432 1020899976 /nfs/dbraw/zinc/89/99/76/1020899976.db2.gz HVBOHDDYGVEXJN-CVEARBPZSA-N 2 1 326.488 3.655 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206432 1020899984 /nfs/dbraw/zinc/89/99/84/1020899984.db2.gz HVBOHDDYGVEXJN-CVEARBPZSA-N 2 1 326.488 3.655 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000154891752 1020947793 /nfs/dbraw/zinc/94/77/93/1020947793.db2.gz FNWKZILAFYRJNS-HFSMHLIXSA-N 2 1 330.516 3.659 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000581522588 1021048971 /nfs/dbraw/zinc/04/89/71/1021048971.db2.gz RLBALUGPNTYUFB-UHFFFAOYSA-N 2 1 338.495 3.800 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([NH+]2CCCC2)CC1 ZINC000506495773 1021193899 /nfs/dbraw/zinc/19/38/99/1021193899.db2.gz MEGMMTGHMPNFQN-UHFFFAOYSA-N 2 1 343.559 3.705 20 0 EHADMP C[NH+](C)CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964054 1021246808 /nfs/dbraw/zinc/24/68/08/1021246808.db2.gz MFQSVTJMTIYMHA-KBRMVUAJSA-N 2 1 341.543 3.674 20 0 EHADMP C[C@H]1C[C@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]1 ZINC000656788102 1021349633 /nfs/dbraw/zinc/34/96/33/1021349633.db2.gz BKYCGAGCSYCSQW-LSDHHAIUSA-N 2 1 327.497 3.556 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)cc1O ZINC000426415085 1021516892 /nfs/dbraw/zinc/51/68/92/1021516892.db2.gz YMHDREIEISDCTC-INIZCTEOSA-N 2 1 334.504 3.576 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCOC1 ZINC000164516381 1021561404 /nfs/dbraw/zinc/56/14/04/1021561404.db2.gz UEWYTODSTAPCOG-TZIWHRDSSA-N 2 1 342.483 3.816 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000414902416 1021752243 /nfs/dbraw/zinc/75/22/43/1021752243.db2.gz HZDCTENMXCEERJ-CYBMUJFWSA-N 2 1 340.311 3.956 20 0 EHADMP C[C@@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCC[NH2+]C1 ZINC000414903044 1021768408 /nfs/dbraw/zinc/76/84/08/1021768408.db2.gz HVNIMHKMTZMRAO-GFCCVEGCSA-N 2 1 337.714 3.643 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440800405 1021794996 /nfs/dbraw/zinc/79/49/96/1021794996.db2.gz FNFCQPSLTGADNB-UHFFFAOYSA-N 2 1 340.393 3.559 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000415006240 1021803088 /nfs/dbraw/zinc/80/30/88/1021803088.db2.gz QCQKBJXEEBGTRS-PKOBYXMFSA-N 2 1 330.422 3.756 20 0 EHADMP Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2n1 ZINC000187474415 1021832152 /nfs/dbraw/zinc/83/21/52/1021832152.db2.gz XPMAMBARWJFQCD-KNQAVFIVSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2n1 ZINC000187474415 1021832163 /nfs/dbraw/zinc/83/21/63/1021832163.db2.gz XPMAMBARWJFQCD-KNQAVFIVSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2n1 ZINC000187474415 1021832184 /nfs/dbraw/zinc/83/21/84/1021832184.db2.gz XPMAMBARWJFQCD-KNQAVFIVSA-N 2 1 335.495 3.992 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@@H+]1C ZINC000593723367 1033017780 /nfs/dbraw/zinc/01/77/80/1033017780.db2.gz MNJGGCCYOQBIGE-VVWQDTPRSA-N 2 1 344.499 3.629 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC[N@H+]1C ZINC000593723367 1033017795 /nfs/dbraw/zinc/01/77/95/1033017795.db2.gz MNJGGCCYOQBIGE-VVWQDTPRSA-N 2 1 344.499 3.629 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000517041924 1021974959 /nfs/dbraw/zinc/97/49/59/1021974959.db2.gz SHBMQHOZZWVTKQ-KXBFYZLASA-N 2 1 325.456 3.791 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602610532 1033027039 /nfs/dbraw/zinc/02/70/39/1033027039.db2.gz ARGGDSXYHIFFRS-YNVMFWSZSA-N 2 1 344.499 3.532 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602610532 1033027049 /nfs/dbraw/zinc/02/70/49/1033027049.db2.gz ARGGDSXYHIFFRS-YNVMFWSZSA-N 2 1 344.499 3.532 20 0 EHADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517387475 1022298213 /nfs/dbraw/zinc/29/82/13/1022298213.db2.gz HHWWDHOWNFQIOU-RXVVDRJESA-N 2 1 340.515 3.510 20 0 EHADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517387475 1022298221 /nfs/dbraw/zinc/29/82/21/1022298221.db2.gz HHWWDHOWNFQIOU-RXVVDRJESA-N 2 1 340.515 3.510 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000302837659 1022359763 /nfs/dbraw/zinc/35/97/63/1022359763.db2.gz NXIIQUFDBJLOFD-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Br)cc1 ZINC000302837659 1022359772 /nfs/dbraw/zinc/35/97/72/1022359772.db2.gz NXIIQUFDBJLOFD-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Br)cc1 ZINC000302837659 1022359782 /nfs/dbraw/zinc/35/97/82/1022359782.db2.gz NXIIQUFDBJLOFD-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Br)cc1 ZINC000302837659 1022359795 /nfs/dbraw/zinc/35/97/95/1022359795.db2.gz NXIIQUFDBJLOFD-MRXNPFEDSA-N 2 1 325.294 3.755 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000425953144 1022420792 /nfs/dbraw/zinc/42/07/92/1022420792.db2.gz RHFPBDZANWTWFV-KBPBESRZSA-N 2 1 334.895 3.682 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H](C)O1 ZINC000438180146 1022444868 /nfs/dbraw/zinc/44/48/68/1022444868.db2.gz SQHMXRNZFVAKKY-KIZRIRGWSA-N 2 1 344.543 3.976 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401046138 1022569966 /nfs/dbraw/zinc/56/99/66/1022569966.db2.gz MGKZGIZPUJPKKN-FPOVZHCZSA-N 2 1 337.511 3.741 20 0 EHADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Cc1ccccn1 ZINC001167975606 1022641671 /nfs/dbraw/zinc/64/16/71/1022641671.db2.gz SIDQELXPPJWSGD-IHWFROFDSA-N 2 1 327.516 3.645 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)c1 ZINC000426034941 1022717162 /nfs/dbraw/zinc/71/71/62/1022717162.db2.gz JVVLPFYIZWYGIH-FQEVSTJZSA-N 2 1 338.495 3.794 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)c2)CCO1 ZINC000510654753 1022837574 /nfs/dbraw/zinc/83/75/74/1022837574.db2.gz BHNRYDIFBZRLLD-UIFIKXQLSA-N 2 1 348.506 3.915 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)c2)CCO1 ZINC000510654753 1022837595 /nfs/dbraw/zinc/83/75/95/1022837595.db2.gz BHNRYDIFBZRLLD-UIFIKXQLSA-N 2 1 348.506 3.915 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782998 1022906352 /nfs/dbraw/zinc/90/63/52/1022906352.db2.gz OTMGLNSUKMFCFC-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782998 1022906364 /nfs/dbraw/zinc/90/63/64/1022906364.db2.gz OTMGLNSUKMFCFC-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782998 1022906368 /nfs/dbraw/zinc/90/63/68/1022906368.db2.gz OTMGLNSUKMFCFC-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782998 1022906380 /nfs/dbraw/zinc/90/63/80/1022906380.db2.gz OTMGLNSUKMFCFC-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894782998 1022906393 /nfs/dbraw/zinc/90/63/93/1022906393.db2.gz OTMGLNSUKMFCFC-ZFWWWQNUSA-N 2 1 335.904 3.866 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OCc1cccs1 ZINC000414943013 1022930393 /nfs/dbraw/zinc/93/03/93/1022930393.db2.gz FBLZPAOGDPHJIR-GDBMZVCRSA-N 2 1 346.496 3.566 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908305 1023042842 /nfs/dbraw/zinc/04/28/42/1023042842.db2.gz QCRQUKFCQXBICR-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908305 1023042853 /nfs/dbraw/zinc/04/28/53/1023042853.db2.gz QCRQUKFCQXBICR-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176309 1023042867 /nfs/dbraw/zinc/04/28/67/1023042867.db2.gz ZDBWKGBBMMFWPM-AEFFLSMTSA-N 2 1 334.504 3.576 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908305 1023042864 /nfs/dbraw/zinc/04/28/64/1023042864.db2.gz QCRQUKFCQXBICR-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000089908305 1023042871 /nfs/dbraw/zinc/04/28/71/1023042871.db2.gz QCRQUKFCQXBICR-QGZVFWFLSA-N 2 1 347.503 3.807 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176309 1023042877 /nfs/dbraw/zinc/04/28/77/1023042877.db2.gz ZDBWKGBBMMFWPM-AEFFLSMTSA-N 2 1 334.504 3.576 20 0 EHADMP CC[C@](C)(O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000189717737 1023089531 /nfs/dbraw/zinc/08/95/31/1023089531.db2.gz DBAONCKXCCYAAR-FQEVSTJZSA-N 2 1 329.488 3.635 20 0 EHADMP CC[C@](C)(O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000189717737 1023089540 /nfs/dbraw/zinc/08/95/40/1023089540.db2.gz DBAONCKXCCYAAR-FQEVSTJZSA-N 2 1 329.488 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353932475 1023207480 /nfs/dbraw/zinc/20/74/80/1023207480.db2.gz STRWFWVITVXZHW-QGZVFWFLSA-N 2 1 344.478 3.613 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427099254 1023213981 /nfs/dbraw/zinc/21/39/81/1023213981.db2.gz GWSCYEGTTFOUCF-DOTOQJQBSA-N 2 1 326.406 3.712 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccccc2)[C@H]2CCCC2(C)C)n1 ZINC000431078563 1023235181 /nfs/dbraw/zinc/23/51/81/1023235181.db2.gz UUKIMHQXTOVPGT-INIZCTEOSA-N 2 1 342.487 3.844 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccccc2)[C@H]2CCCC2(C)C)n1 ZINC000431078563 1023235184 /nfs/dbraw/zinc/23/51/84/1023235184.db2.gz UUKIMHQXTOVPGT-INIZCTEOSA-N 2 1 342.487 3.844 20 0 EHADMP COc1ccccc1OCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506480604 1023264189 /nfs/dbraw/zinc/26/41/89/1023264189.db2.gz MSBJZILQIPHFMZ-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480604 1023264196 /nfs/dbraw/zinc/26/41/96/1023264196.db2.gz MSBJZILQIPHFMZ-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480604 1023264205 /nfs/dbraw/zinc/26/42/05/1023264205.db2.gz MSBJZILQIPHFMZ-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506480604 1023264213 /nfs/dbraw/zinc/26/42/13/1023264213.db2.gz MSBJZILQIPHFMZ-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506480604 1023264216 /nfs/dbraw/zinc/26/42/16/1023264216.db2.gz MSBJZILQIPHFMZ-MOPGFXCFSA-N 2 1 346.515 3.660 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2nccn2C2CC2)CC1 ZINC000891913683 1023387452 /nfs/dbraw/zinc/38/74/52/1023387452.db2.gz KKMUGMDPESBATE-UHFFFAOYSA-N 2 1 338.499 3.562 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891913683 1023387461 /nfs/dbraw/zinc/38/74/61/1023387461.db2.gz KKMUGMDPESBATE-UHFFFAOYSA-N 2 1 338.499 3.562 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891913683 1023387466 /nfs/dbraw/zinc/38/74/66/1023387466.db2.gz KKMUGMDPESBATE-UHFFFAOYSA-N 2 1 338.499 3.562 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449759254 1033153055 /nfs/dbraw/zinc/15/30/55/1033153055.db2.gz JFQGXWYJKMQPRZ-CWJKEVGVSA-N 2 1 330.516 3.977 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449759254 1033153067 /nfs/dbraw/zinc/15/30/67/1033153067.db2.gz JFQGXWYJKMQPRZ-CWJKEVGVSA-N 2 1 330.516 3.977 20 0 EHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657876822 1033154830 /nfs/dbraw/zinc/15/48/30/1033154830.db2.gz NUHPOILFVLQLCY-DOTOQJQBSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1C[NH+](C)C ZINC000458266145 1023833698 /nfs/dbraw/zinc/83/36/98/1023833698.db2.gz DRUYUVDDDBGNPM-SFHVURJKSA-N 2 1 343.515 3.650 20 0 EHADMP C[C@@H]1CC([NH2+][C@H](CO)c2cccs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019217 1023987382 /nfs/dbraw/zinc/98/73/82/1023987382.db2.gz HNEUKGGQQFWRCS-GPMSIDNRSA-N 2 1 344.524 3.813 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2cccc(F)c2n1C ZINC000443524790 1024102703 /nfs/dbraw/zinc/10/27/03/1024102703.db2.gz WGKJBXKNCHWHED-UHFFFAOYSA-N 2 1 340.446 3.587 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CNc1[nH+]c2cccc(F)c2n1C ZINC000443524790 1024102711 /nfs/dbraw/zinc/10/27/11/1024102711.db2.gz WGKJBXKNCHWHED-UHFFFAOYSA-N 2 1 340.446 3.587 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1[nH+]c2cccc(F)c2n1C ZINC000443524790 1024102726 /nfs/dbraw/zinc/10/27/26/1024102726.db2.gz WGKJBXKNCHWHED-UHFFFAOYSA-N 2 1 340.446 3.587 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2cccs2)cc1 ZINC000151357741 1024104402 /nfs/dbraw/zinc/10/44/02/1024104402.db2.gz GZRZECYBMDBDKA-MRXNPFEDSA-N 2 1 344.524 3.913 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580926 1024138826 /nfs/dbraw/zinc/13/88/26/1024138826.db2.gz WSBRJHNGWDDHNC-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580926 1024138836 /nfs/dbraw/zinc/13/88/36/1024138836.db2.gz WSBRJHNGWDDHNC-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773728 1033191214 /nfs/dbraw/zinc/19/12/14/1033191214.db2.gz NPGPVHOMZSZMNA-LPHOPBHVSA-N 2 1 336.907 3.677 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000427601145 1024218165 /nfs/dbraw/zinc/21/81/65/1024218165.db2.gz XONHVKFUEMWKBF-HNNXBMFYSA-N 2 1 327.394 3.553 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000277242918 1024304510 /nfs/dbraw/zinc/30/45/10/1024304510.db2.gz OPOVAJZMHWKKFV-IEBWSBKVSA-N 2 1 348.531 3.680 20 0 EHADMP C[C@@H]1CC([NH2+][C@H](CO)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006286 1024398760 /nfs/dbraw/zinc/39/87/60/1024398760.db2.gz MSOUFWUVUHIUMB-JBYIUTFZSA-N 2 1 338.495 3.751 20 0 EHADMP CCS[C@H]1CCCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346172552 1024486861 /nfs/dbraw/zinc/48/68/61/1024486861.db2.gz JMGCDKJZECFNAB-SFHVURJKSA-N 2 1 330.501 3.683 20 0 EHADMP CCn1nc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)c2ccccc21 ZINC000472055162 1024507416 /nfs/dbraw/zinc/50/74/16/1024507416.db2.gz NGVRBIFKTIIOIG-QGZVFWFLSA-N 2 1 328.504 3.514 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028717 1024515069 /nfs/dbraw/zinc/51/50/69/1024515069.db2.gz QMEQZWCWUJBTPH-OPVJXMOQSA-N 2 1 330.516 3.977 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)s1 ZINC000897881916 1033220896 /nfs/dbraw/zinc/22/08/96/1033220896.db2.gz FSYUCZJIRGEGSM-AULYBMBSSA-N 2 1 337.439 3.519 20 0 EHADMP CC[C@H]1C[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCO1 ZINC000435059379 1024587325 /nfs/dbraw/zinc/58/73/25/1024587325.db2.gz HRDXJBGNHYXLFO-APWZRJJASA-N 2 1 331.504 3.604 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000346269096 1024590843 /nfs/dbraw/zinc/59/08/43/1024590843.db2.gz BTXXZNNQCDXOHW-MRXNPFEDSA-N 2 1 334.261 3.791 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000346269096 1024590854 /nfs/dbraw/zinc/59/08/54/1024590854.db2.gz BTXXZNNQCDXOHW-MRXNPFEDSA-N 2 1 334.261 3.791 20 0 EHADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157100658 1024768592 /nfs/dbraw/zinc/76/85/92/1024768592.db2.gz ZMWGFHKSLSIWNA-OAQYLSRUSA-N 2 1 330.516 3.586 20 0 EHADMP C[C@@H]1CC(N[C@@]2(C)CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033874 1024875905 /nfs/dbraw/zinc/87/59/05/1024875905.db2.gz MSERYKUBFFCACY-OPYAIIAOSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1CC([NH2+][C@@]2(C)CCCN(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033874 1024875916 /nfs/dbraw/zinc/87/59/16/1024875916.db2.gz MSERYKUBFFCACY-OPYAIIAOSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435395358 1024883131 /nfs/dbraw/zinc/88/31/31/1024883131.db2.gz PIOFPTYRIKJFTC-SFHVURJKSA-N 2 1 346.478 3.628 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000435396669 1024884219 /nfs/dbraw/zinc/88/42/19/1024884219.db2.gz XPQPYROEGSDPLV-KXBFYZLASA-N 2 1 340.467 3.540 20 0 EHADMP Cc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435428895 1024915811 /nfs/dbraw/zinc/91/58/11/1024915811.db2.gz UZMUPQRPUAAFCR-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435428895 1024915815 /nfs/dbraw/zinc/91/58/15/1024915815.db2.gz UZMUPQRPUAAFCR-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435438789 1024925980 /nfs/dbraw/zinc/92/59/80/1024925980.db2.gz RLCPSWSTPZQCLD-HNNXBMFYSA-N 2 1 340.895 3.711 20 0 EHADMP CC(C)OC1CC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000428097047 1024978937 /nfs/dbraw/zinc/97/89/37/1024978937.db2.gz CINRCOUIXPVJNU-FNOBOGDDSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000157654995 1025003538 /nfs/dbraw/zinc/00/35/38/1025003538.db2.gz RMBXSXFJSOMOPA-VBKZILBWSA-N 2 1 339.414 3.704 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000474481202 1025037428 /nfs/dbraw/zinc/03/74/28/1025037428.db2.gz WXKCNJMNDLREHZ-UHFFFAOYSA-N 2 1 338.536 3.743 20 0 EHADMP C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435622795 1025039178 /nfs/dbraw/zinc/03/91/78/1025039178.db2.gz SMVBVZSXECTAIC-MRXNPFEDSA-N 2 1 348.288 3.571 20 0 EHADMP CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435624530 1025048102 /nfs/dbraw/zinc/04/81/02/1025048102.db2.gz FSQCAMDDVVQZGH-SFHVURJKSA-N 2 1 339.483 3.632 20 0 EHADMP Cc1cnc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000428232623 1025065194 /nfs/dbraw/zinc/06/51/94/1025065194.db2.gz VEFJCPSYCVBVPZ-SFHVURJKSA-N 2 1 338.499 3.690 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000428232539 1025067744 /nfs/dbraw/zinc/06/77/44/1025067744.db2.gz ZVANXAFBYXGXSP-FKBYEOEOSA-N 2 1 335.495 3.862 20 0 EHADMP CC(C)O[C@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000428243311 1025159306 /nfs/dbraw/zinc/15/93/06/1025159306.db2.gz BHEOKMJATAYKFD-HXUWFJFHSA-N 2 1 341.499 3.841 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665282987 1025303602 /nfs/dbraw/zinc/30/36/02/1025303602.db2.gz FSLKIHKNSRGOSQ-ARFHVFGLSA-N 2 1 342.405 3.828 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000521436981 1025388665 /nfs/dbraw/zinc/38/86/65/1025388665.db2.gz DFUCMYGWANXHIZ-UHFFFAOYSA-N 3 1 331.548 3.914 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000474731157 1025395641 /nfs/dbraw/zinc/39/56/41/1025395641.db2.gz RCDQDULZIFYTPE-BXWFABGCSA-N 2 1 338.923 3.659 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292100 1025452331 /nfs/dbraw/zinc/45/23/31/1025452331.db2.gz SIZZDGBDEUMLQA-HNNXBMFYSA-N 2 1 348.878 3.561 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044436 1025459911 /nfs/dbraw/zinc/45/99/11/1025459911.db2.gz FJGAAKJTYUOTTG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044436 1025459920 /nfs/dbraw/zinc/45/99/20/1025459920.db2.gz FJGAAKJTYUOTTG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044436 1025459926 /nfs/dbraw/zinc/45/99/26/1025459926.db2.gz FJGAAKJTYUOTTG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044436 1025459936 /nfs/dbraw/zinc/45/99/36/1025459936.db2.gz FJGAAKJTYUOTTG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041587 1025461149 /nfs/dbraw/zinc/46/11/49/1025461149.db2.gz TXTBVHQCWCPIJY-RMFSNUHRSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041587 1025461154 /nfs/dbraw/zinc/46/11/54/1025461154.db2.gz TXTBVHQCWCPIJY-RMFSNUHRSA-N 2 1 348.494 3.866 20 0 EHADMP CC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051377 1025472223 /nfs/dbraw/zinc/47/22/23/1025472223.db2.gz VBTBEUMQHDFFGS-PKTZIBPZSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051377 1025472231 /nfs/dbraw/zinc/47/22/31/1025472231.db2.gz VBTBEUMQHDFFGS-PKTZIBPZSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051377 1025472236 /nfs/dbraw/zinc/47/22/36/1025472236.db2.gz VBTBEUMQHDFFGS-PKTZIBPZSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051377 1025472241 /nfs/dbraw/zinc/47/22/41/1025472241.db2.gz VBTBEUMQHDFFGS-PKTZIBPZSA-N 2 1 348.490 3.843 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC)cc2C)[C@H](C)C1 ZINC000657363722 1025530182 /nfs/dbraw/zinc/53/01/82/1025530182.db2.gz RJEXFMBBCZEPQE-NQIIRXRSSA-N 2 1 348.531 3.620 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@@H](O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042003 1025538884 /nfs/dbraw/zinc/53/88/84/1025538884.db2.gz XPCDYVWUGWGFHK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042003 1025538902 /nfs/dbraw/zinc/53/89/02/1025538902.db2.gz XPCDYVWUGWGFHK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042003 1025538911 /nfs/dbraw/zinc/53/89/11/1025538911.db2.gz XPCDYVWUGWGFHK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042003 1025538920 /nfs/dbraw/zinc/53/89/20/1025538920.db2.gz XPCDYVWUGWGFHK-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP CCOc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OCC(C)C ZINC000442924140 1025600563 /nfs/dbraw/zinc/60/05/63/1025600563.db2.gz RPYQJWASMDTPAM-KRWDZBQOSA-N 2 1 334.504 3.681 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000443061716 1025679414 /nfs/dbraw/zinc/67/94/14/1025679414.db2.gz SKVOEZZZFVHQPI-OAHLLOKOSA-N 2 1 349.931 3.948 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000892235521 1025693483 /nfs/dbraw/zinc/69/34/83/1025693483.db2.gz VLVYFOFYAJFNAG-RCCFBDPRSA-N 2 1 334.504 3.569 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000892235521 1025693490 /nfs/dbraw/zinc/69/34/90/1025693490.db2.gz VLVYFOFYAJFNAG-RCCFBDPRSA-N 2 1 334.504 3.569 20 0 EHADMP C[C@@H]1C[C@@H](NCc2c(Cl)cc(Cl)cc2N(C)C)CC[N@H+]1C ZINC000515925228 1025746086 /nfs/dbraw/zinc/74/60/86/1025746086.db2.gz WHAYCWABLLSXSK-YPMHNXCESA-N 2 1 330.303 3.632 20 0 EHADMP CC1(c2ccccc2)CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000436470353 1025763310 /nfs/dbraw/zinc/76/33/10/1025763310.db2.gz JSGCMGXVHXTKCJ-UHFFFAOYSA-N 2 1 342.527 3.731 20 0 EHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000474939641 1025901864 /nfs/dbraw/zinc/90/18/64/1025901864.db2.gz BGSSNRGKOJORSV-DUXKGJEZSA-N 2 1 330.516 3.558 20 0 EHADMP CSc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647249428 1025964746 /nfs/dbraw/zinc/96/47/46/1025964746.db2.gz ZWQUFWMKQXMFBY-WBVHZDCISA-N 2 1 332.538 3.905 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451488914 1026030612 /nfs/dbraw/zinc/03/06/12/1026030612.db2.gz DNTLYWCLSJPJRA-UXHICEINSA-N 2 1 341.499 3.945 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451488916 1026032078 /nfs/dbraw/zinc/03/20/78/1026032078.db2.gz DNTLYWCLSJPJRA-WOJBJXKFSA-N 2 1 341.499 3.945 20 0 EHADMP COc1ccc2ccccc2c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414889644 1026068433 /nfs/dbraw/zinc/06/84/33/1026068433.db2.gz YYMSOLMBPBWCTF-UHFFFAOYSA-N 2 1 335.451 3.513 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054482 1026072128 /nfs/dbraw/zinc/07/21/28/1026072128.db2.gz SCMHDNKPJWSQQC-HATOLVCRSA-N 3 1 343.559 3.702 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168054482 1026072142 /nfs/dbraw/zinc/07/21/42/1026072142.db2.gz SCMHDNKPJWSQQC-HATOLVCRSA-N 2 1 343.559 3.702 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cc2)cc1 ZINC000563350394 1026211537 /nfs/dbraw/zinc/21/15/37/1026211537.db2.gz OCFQKFLCACOZSX-RDJZCZTQSA-N 2 1 326.440 3.799 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000159192820 1026530794 /nfs/dbraw/zinc/53/07/94/1026530794.db2.gz UDPGDFBSOJNLNT-HXUWFJFHSA-N 2 1 346.515 3.608 20 0 EHADMP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122764923 1026722264 /nfs/dbraw/zinc/72/22/64/1026722264.db2.gz LWGWIRNEDSUEML-OAHLLOKOSA-N 2 1 346.906 3.514 20 0 EHADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122764923 1026722278 /nfs/dbraw/zinc/72/22/78/1026722278.db2.gz LWGWIRNEDSUEML-OAHLLOKOSA-N 2 1 346.906 3.514 20 0 EHADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122764923 1026722288 /nfs/dbraw/zinc/72/22/88/1026722288.db2.gz LWGWIRNEDSUEML-OAHLLOKOSA-N 2 1 346.906 3.514 20 0 EHADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2Cl)n1 ZINC000122764923 1026722301 /nfs/dbraw/zinc/72/23/01/1026722301.db2.gz LWGWIRNEDSUEML-OAHLLOKOSA-N 2 1 346.906 3.514 20 0 EHADMP COc1ccc([C@@H](CNc2cc[nH+]cc2Cl)[NH+]2CCCC2)cc1 ZINC000301592163 1026865819 /nfs/dbraw/zinc/86/58/19/1026865819.db2.gz QXJPFAPDTREWOC-GOSISDBHSA-N 2 1 331.847 3.993 20 0 EHADMP CN(C)c1cc[nH+]c(NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000301712182 1026912235 /nfs/dbraw/zinc/91/22/35/1026912235.db2.gz FDYWEBOVIUFQPO-UHFFFAOYSA-N 2 1 339.487 3.531 20 0 EHADMP COc1ccc(-c2ccccc2)cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000531535448 1027013191 /nfs/dbraw/zinc/01/31/91/1027013191.db2.gz NUHIVVBLNIRFLQ-KRWDZBQOSA-N 2 1 336.479 3.936 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000531535448 1027013200 /nfs/dbraw/zinc/01/32/00/1027013200.db2.gz NUHIVVBLNIRFLQ-KRWDZBQOSA-N 2 1 336.479 3.936 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000531535448 1027013211 /nfs/dbraw/zinc/01/32/11/1027013211.db2.gz NUHIVVBLNIRFLQ-KRWDZBQOSA-N 2 1 336.479 3.936 20 0 EHADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3cc(Br)ccc23)C1 ZINC000301977099 1027013305 /nfs/dbraw/zinc/01/33/05/1027013305.db2.gz FFNYKKDDMVRIAD-GFCCVEGCSA-N 2 1 334.261 3.751 20 0 EHADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3cc(Br)ccc23)C1 ZINC000301977099 1027013315 /nfs/dbraw/zinc/01/33/15/1027013315.db2.gz FFNYKKDDMVRIAD-GFCCVEGCSA-N 2 1 334.261 3.751 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272765288 1027101088 /nfs/dbraw/zinc/10/10/88/1027101088.db2.gz LYONJRCRZLDMRY-QINHECLXSA-N 2 1 341.499 3.895 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845555 1027143464 /nfs/dbraw/zinc/14/34/64/1027143464.db2.gz SAJWWOAHHIMPDM-STZQEDGTSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141223 1027163863 /nfs/dbraw/zinc/16/38/63/1027163863.db2.gz IGWJJYCTLSCMRL-GIVPXCGWSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141223 1027163874 /nfs/dbraw/zinc/16/38/74/1027163874.db2.gz IGWJJYCTLSCMRL-GIVPXCGWSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141223 1027163886 /nfs/dbraw/zinc/16/38/86/1027163886.db2.gz IGWJJYCTLSCMRL-GIVPXCGWSA-N 2 1 328.500 3.542 20 0 EHADMP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2ncccc12 ZINC000075836296 1027227771 /nfs/dbraw/zinc/22/77/71/1027227771.db2.gz SLHSCBUPNRCXNW-MRXNPFEDSA-N 2 1 327.447 3.682 20 0 EHADMP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2ncccc12 ZINC000075836296 1027227786 /nfs/dbraw/zinc/22/77/86/1027227786.db2.gz SLHSCBUPNRCXNW-MRXNPFEDSA-N 2 1 327.447 3.682 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C\c2ccccc2)[C@@H](C)C1 ZINC000501428766 1027276596 /nfs/dbraw/zinc/27/65/96/1027276596.db2.gz ZFFTVWGTRFXQFW-UUNCMCMBSA-N 2 1 330.516 3.817 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccn3)[C@H]3CCC[C@@H]32)cc1 ZINC000453052674 1027294483 /nfs/dbraw/zinc/29/44/83/1027294483.db2.gz DCYQBRCUVALYMT-FSSWDIPSSA-N 2 1 335.495 3.657 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657562131 1027296529 /nfs/dbraw/zinc/29/65/29/1027296529.db2.gz NWNDTVNBXNHCAD-DUXKGJEZSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657562131 1027296545 /nfs/dbraw/zinc/29/65/45/1027296545.db2.gz NWNDTVNBXNHCAD-DUXKGJEZSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC([NH+]3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067259 1027317200 /nfs/dbraw/zinc/31/72/00/1027317200.db2.gz SOHCHTRBTILCLE-HATOLVCRSA-N 2 1 341.543 3.598 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000453125207 1027404886 /nfs/dbraw/zinc/40/48/86/1027404886.db2.gz OFTXYGNLOZWRFQ-JENIJYKNSA-N 2 1 346.544 3.642 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000453125207 1027404893 /nfs/dbraw/zinc/40/48/93/1027404893.db2.gz OFTXYGNLOZWRFQ-JENIJYKNSA-N 2 1 346.544 3.642 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453131183 1027432920 /nfs/dbraw/zinc/43/29/20/1027432920.db2.gz ZHQCKLXOFQLEDG-NMIHRBCNSA-N 2 1 344.543 3.818 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)[C@@H](C)C1 ZINC000453132609 1027437810 /nfs/dbraw/zinc/43/78/10/1027437810.db2.gz WLSGDYVJVJNKIS-AVRDEDQJSA-N 2 1 344.543 3.661 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCCCC1 ZINC000544385576 1027448854 /nfs/dbraw/zinc/44/88/54/1027448854.db2.gz HOMWBAWOAQFUBT-UWJYYQICSA-N 2 1 330.516 3.702 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cc1 ZINC000420319399 1027467684 /nfs/dbraw/zinc/46/76/84/1027467684.db2.gz PLWXYERPTFOQBW-HIFRSBDPSA-N 2 1 334.410 3.709 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cc1 ZINC000420319399 1027467685 /nfs/dbraw/zinc/46/76/85/1027467685.db2.gz PLWXYERPTFOQBW-HIFRSBDPSA-N 2 1 334.410 3.709 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420345015 1027476344 /nfs/dbraw/zinc/47/63/44/1027476344.db2.gz VOMAXMKKTZHESV-HOTGVXAUSA-N 2 1 345.874 3.817 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000453171125 1027490428 /nfs/dbraw/zinc/49/04/28/1027490428.db2.gz VPVXLABPAJNWTL-RQXATKFSSA-N 2 1 328.500 3.587 20 0 EHADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000420368260 1027493420 /nfs/dbraw/zinc/49/34/20/1027493420.db2.gz NLLJVKSJZVFTGK-HXUWFJFHSA-N 2 1 339.483 3.666 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000453172629 1027493869 /nfs/dbraw/zinc/49/38/69/1027493869.db2.gz ICIGXNMCDXZBEQ-XRXFAXGQSA-N 2 1 342.527 3.977 20 0 EHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C1 ZINC000420381456 1027501389 /nfs/dbraw/zinc/50/13/89/1027501389.db2.gz CRJNDJMIWSSFEP-FUHWJXTLSA-N 2 1 349.544 3.519 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420400535 1027519630 /nfs/dbraw/zinc/51/96/30/1027519630.db2.gz OUBURVDFFUPRKX-MJGOQNOKSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420400535 1027519645 /nfs/dbraw/zinc/51/96/45/1027519645.db2.gz OUBURVDFFUPRKX-MJGOQNOKSA-N 2 1 325.456 3.614 20 0 EHADMP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000320915718 1027561967 /nfs/dbraw/zinc/56/19/67/1027561967.db2.gz LHBQMLPEWNODMY-OKILXGFUSA-N 2 1 330.419 3.730 20 0 EHADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345965339 1027684559 /nfs/dbraw/zinc/68/45/59/1027684559.db2.gz OYAKJTDHUIOXRD-UHFFFAOYSA-N 2 1 348.535 3.510 20 0 EHADMP COc1ccc(Oc2ccc(C[N@@H+](C)C3CC[NH2+]CC3)cc2)cc1 ZINC000414650275 1027699306 /nfs/dbraw/zinc/69/93/06/1027699306.db2.gz CYDAYBNLSKWPCY-UHFFFAOYSA-N 2 1 326.440 3.671 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000414672393 1027799886 /nfs/dbraw/zinc/79/98/86/1027799886.db2.gz PAZUGHCYDLPDJS-TYPHKJRUSA-N 2 1 336.479 3.921 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@H]1C[NH3+] ZINC000422631451 1027832219 /nfs/dbraw/zinc/83/22/19/1027832219.db2.gz FNULXOFWXMARDO-SOLBZPMBSA-N 2 1 325.456 3.679 20 0 EHADMP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)c1c[nH+]ccc1N ZINC000422705570 1027864810 /nfs/dbraw/zinc/86/48/10/1027864810.db2.gz RZCHVRBHJBYPNK-GFCCVEGCSA-N 2 1 335.373 3.895 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000359892643 1027868332 /nfs/dbraw/zinc/86/83/32/1027868332.db2.gz AAZNEBFHQKRTJI-HKUYNNGSSA-N 2 1 332.463 3.712 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)s2)cs1 ZINC000339072905 1027886891 /nfs/dbraw/zinc/88/68/91/1027886891.db2.gz ZAWKDPMOTYMBFI-CABCVRRESA-N 2 1 347.553 3.939 20 0 EHADMP c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422801230 1027950279 /nfs/dbraw/zinc/95/02/79/1027950279.db2.gz BLNBAQKDWDNYKN-BHDDXSALSA-N 2 1 341.543 3.683 20 0 EHADMP CCC(CC)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000459362783 1027951893 /nfs/dbraw/zinc/95/18/93/1027951893.db2.gz HDUKXPJSLTYDJJ-OAQYLSRUSA-N 2 1 344.547 3.541 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@H](C)c3c[nH+]ccc3N)s2)cs1 ZINC000422792316 1027966491 /nfs/dbraw/zinc/96/64/91/1027966491.db2.gz DIPHFAPLXIXXJB-LLVKDONJSA-N 2 1 344.509 3.881 20 0 EHADMP Cc1cc(Br)cc(C)c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422828998 1027972932 /nfs/dbraw/zinc/97/29/32/1027972932.db2.gz UGMBXOYAQZLXAJ-GFCCVEGCSA-N 2 1 334.261 3.724 20 0 EHADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc21 ZINC000422837832 1027977550 /nfs/dbraw/zinc/97/75/50/1027977550.db2.gz NBKXIVYWPFRYJO-BEVDRBHNSA-N 2 1 341.524 3.695 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839610 1027979820 /nfs/dbraw/zinc/97/98/20/1027979820.db2.gz QVNKNLZSRNDOCU-GUDVDZBRSA-N 2 1 349.588 3.861 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422839610 1027979844 /nfs/dbraw/zinc/97/98/44/1027979844.db2.gz QVNKNLZSRNDOCU-GUDVDZBRSA-N 2 1 349.588 3.861 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH+]ccc1N ZINC000422839660 1027981864 /nfs/dbraw/zinc/98/18/64/1027981864.db2.gz ABLIHTLBNRXRPP-KUHUBIRLSA-N 2 1 344.890 3.635 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000422856812 1027993616 /nfs/dbraw/zinc/99/36/16/1027993616.db2.gz GPZVELYEDAFTFV-MRXNPFEDSA-N 3 1 340.515 3.540 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422842980 1028004686 /nfs/dbraw/zinc/00/46/86/1028004686.db2.gz ZYVBBHZFYRYUCU-MYGLTJDJSA-N 2 1 343.559 3.970 20 0 EHADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422874609 1028032487 /nfs/dbraw/zinc/03/24/87/1028032487.db2.gz NWYHNCODEVNSOE-HTQZYQBOSA-N 2 1 327.202 3.810 20 0 EHADMP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nc2c1 ZINC000422898402 1028033673 /nfs/dbraw/zinc/03/36/73/1028033673.db2.gz FARYYNSHEBTLCU-MGPQQGTHSA-N 2 1 335.904 3.960 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913322 1028045018 /nfs/dbraw/zinc/04/50/18/1028045018.db2.gz YFYGSAIYZOJIPK-OXQOHEQNSA-N 2 1 344.547 3.544 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000685041251 1028045887 /nfs/dbraw/zinc/04/58/87/1028045887.db2.gz JBSQFNJBIYFJKA-WMZOPIPTSA-N 2 1 344.524 3.552 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422911943 1028046459 /nfs/dbraw/zinc/04/64/59/1028046459.db2.gz LTZGGCPKIRHCLB-NJDAHSKKSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422911943 1028046481 /nfs/dbraw/zinc/04/64/81/1028046481.db2.gz LTZGGCPKIRHCLB-NJDAHSKKSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422911943 1028046500 /nfs/dbraw/zinc/04/65/00/1028046500.db2.gz LTZGGCPKIRHCLB-NJDAHSKKSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422914644 1028049461 /nfs/dbraw/zinc/04/94/61/1028049461.db2.gz VHXDHOCKNIPJKX-BHDDXSALSA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422914644 1028049478 /nfs/dbraw/zinc/04/94/78/1028049478.db2.gz VHXDHOCKNIPJKX-BHDDXSALSA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422914644 1028049492 /nfs/dbraw/zinc/04/94/92/1028049492.db2.gz VHXDHOCKNIPJKX-BHDDXSALSA-N 2 1 343.559 3.927 20 0 EHADMP Fc1ccccc1C1([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422940627 1028070090 /nfs/dbraw/zinc/07/00/90/1028070090.db2.gz HGLGMEZPBIAPEP-UYAOXDASSA-N 2 1 338.426 3.660 20 0 EHADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422959747 1028098196 /nfs/dbraw/zinc/09/81/96/1028098196.db2.gz UGSKPUMQFGWFIA-HOTGVXAUSA-N 2 1 336.357 3.819 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000422971751 1028104943 /nfs/dbraw/zinc/10/49/43/1028104943.db2.gz JTFFKWXKYGKHEP-YJBOKZPZSA-N 2 1 331.460 3.506 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000423008828 1028121657 /nfs/dbraw/zinc/12/16/57/1028121657.db2.gz BDZOBEMPOASQOW-WCIQWLHISA-N 2 1 341.886 3.820 20 0 EHADMP CC[C@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCC[NH2+]1 ZINC000134573630 1028131596 /nfs/dbraw/zinc/13/15/96/1028131596.db2.gz JKQGHMUOTKIWHE-HXUWFJFHSA-N 2 1 340.471 3.526 20 0 EHADMP Fc1ccc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423030435 1028139631 /nfs/dbraw/zinc/13/96/31/1028139631.db2.gz JSPMKIFNCRHVQJ-CEFRSTGISA-N 2 1 346.490 3.599 20 0 EHADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CCCC2)cc1 ZINC000423042214 1028149245 /nfs/dbraw/zinc/14/92/45/1028149245.db2.gz KOCDWRJDMUPYLL-HBMCJLEFSA-N 2 1 342.527 3.536 20 0 EHADMP Fc1cc(Cl)ccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423059405 1028153112 /nfs/dbraw/zinc/15/31/12/1028153112.db2.gz FPGNOPAWGDRXRT-HKUYNNGSSA-N 2 1 346.833 3.825 20 0 EHADMP CCCCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000414714665 1028154108 /nfs/dbraw/zinc/15/41/08/1028154108.db2.gz MCDMHFMMFDZLMV-GOSISDBHSA-N 2 1 334.504 3.838 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503858135 1028170907 /nfs/dbraw/zinc/17/09/07/1028170907.db2.gz QRPZZZOGMIGOLN-VDHUWJSZSA-N 2 1 338.442 3.789 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503858135 1028170910 /nfs/dbraw/zinc/17/09/10/1028170910.db2.gz QRPZZZOGMIGOLN-VDHUWJSZSA-N 2 1 338.442 3.789 20 0 EHADMP COc1ccc([C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423084951 1028172034 /nfs/dbraw/zinc/17/20/34/1028172034.db2.gz JEGDQCWWRHYWQK-YZDRJCRTSA-N 2 1 346.515 3.673 20 0 EHADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423122978 1028191322 /nfs/dbraw/zinc/19/13/22/1028191322.db2.gz KMLRRZMKIFAVGK-IUIKQTSFSA-N 2 1 348.359 3.994 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423149455 1028210050 /nfs/dbraw/zinc/21/00/50/1028210050.db2.gz ARXXPDLOHASIKJ-PVIWCNJMSA-N 2 1 342.527 3.707 20 0 EHADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000161672457 1028233262 /nfs/dbraw/zinc/23/32/62/1028233262.db2.gz PTKAFGBIYIUEHN-QGZVFWFLSA-N 2 1 341.902 3.547 20 0 EHADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1OC ZINC000423180671 1028250082 /nfs/dbraw/zinc/25/00/82/1028250082.db2.gz BNYKSXAOGYDBDN-GOSISDBHSA-N 2 1 347.890 3.964 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1OC(F)F ZINC000423194931 1028263356 /nfs/dbraw/zinc/26/33/56/1028263356.db2.gz ZOUWPBZQQUQCJP-CQSZACIVSA-N 2 1 335.398 3.514 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421327129 1028273016 /nfs/dbraw/zinc/27/30/16/1028273016.db2.gz PSESFSZNGUBWFA-UHFFFAOYSA-N 2 1 349.482 3.960 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423282107 1028323355 /nfs/dbraw/zinc/32/33/55/1028323355.db2.gz UWQQMMYADKQKOP-UEKLYDJUSA-N 3 1 329.532 3.537 20 0 EHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000423291821 1028327555 /nfs/dbraw/zinc/32/75/55/1028327555.db2.gz JYWLQGXNUJJQRY-HZPDHXFCSA-N 2 1 349.482 3.755 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421371343 1028328719 /nfs/dbraw/zinc/32/87/19/1028328719.db2.gz JQQDCTPODAEXKI-UHFFFAOYSA-N 2 1 341.543 3.556 20 0 EHADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423289568 1028329576 /nfs/dbraw/zinc/32/95/76/1028329576.db2.gz XPKZSSVSIGAFDB-ZANVPECISA-N 2 1 329.307 3.559 20 0 EHADMP C[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730534 1028335984 /nfs/dbraw/zinc/33/59/84/1028335984.db2.gz DSWPKNOHRMZEGL-BBRMVZONSA-N 2 1 325.294 3.627 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322283 1028348620 /nfs/dbraw/zinc/34/86/20/1028348620.db2.gz GKJJEZQPXNRLNL-NQERJWCQSA-N 2 1 342.458 3.501 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423298135 1028354863 /nfs/dbraw/zinc/35/48/63/1028354863.db2.gz NHJFUQNXNGUYHG-MAUKXSAKSA-N 2 1 334.508 3.728 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000502591826 1028387859 /nfs/dbraw/zinc/38/78/59/1028387859.db2.gz CGPAIISGASXGGL-BBWFWOEESA-N 2 1 332.479 3.539 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423405847 1028422557 /nfs/dbraw/zinc/42/25/57/1028422557.db2.gz UBTBOEZKALRMGA-VFVAKGGASA-N 2 1 341.268 3.627 20 0 EHADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000423434860 1028442457 /nfs/dbraw/zinc/44/24/57/1028442457.db2.gz YITYAGZLROPYEE-JYRVJHCOSA-N 3 1 341.543 3.537 20 0 EHADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000423434860 1028442474 /nfs/dbraw/zinc/44/24/74/1028442474.db2.gz YITYAGZLROPYEE-JYRVJHCOSA-N 2 1 341.543 3.537 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466275 1028453800 /nfs/dbraw/zinc/45/38/00/1028453800.db2.gz NFYAFYFEPFGDBV-DZGCQCFKSA-N 2 1 331.485 3.523 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(OC)c1 ZINC000423531333 1028485643 /nfs/dbraw/zinc/48/56/43/1028485643.db2.gz SKNHRAPSDFWORH-XMYZRKPFSA-N 2 1 344.499 3.508 20 0 EHADMP C[C@@H]1C[N@H+]([C@H](Cc2cccnc2)c2cccc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000423509317 1028486997 /nfs/dbraw/zinc/48/69/97/1028486997.db2.gz LXPYXHVXQXSKRH-CDHQVMDDSA-N 2 1 343.902 3.936 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1F ZINC000423525770 1028499212 /nfs/dbraw/zinc/49/92/12/1028499212.db2.gz KQKHJGQBNFCIGL-PJIQEZCUSA-N 2 1 332.463 3.639 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000162257190 1028537463 /nfs/dbraw/zinc/53/74/63/1028537463.db2.gz IGQZOYZCGQUYOT-LHSJRXKWSA-N 2 1 336.483 3.585 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)c1cccs1 ZINC000237132362 1028616556 /nfs/dbraw/zinc/61/65/56/1028616556.db2.gz BXZUREXIFPIPGF-FQEVSTJZSA-N 2 1 346.540 3.703 20 0 EHADMP C[N@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC([NH3+])C1 ZINC000414764795 1028667980 /nfs/dbraw/zinc/66/79/80/1028667980.db2.gz AYQYVWHSVOXRRL-UHFFFAOYSA-N 2 1 343.858 3.514 20 0 EHADMP C[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC([NH3+])C1 ZINC000414764795 1028667984 /nfs/dbraw/zinc/66/79/84/1028667984.db2.gz AYQYVWHSVOXRRL-UHFFFAOYSA-N 2 1 343.858 3.514 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246933845 1028747635 /nfs/dbraw/zinc/74/76/35/1028747635.db2.gz HHECAWHUFROVLY-JZXOWHBKSA-N 2 1 335.923 3.547 20 0 EHADMP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H](C)C3)c(C)n2n1 ZINC000245539743 1028786039 /nfs/dbraw/zinc/78/60/39/1028786039.db2.gz OMPNHBRUKHZDIN-NVXWUHKLSA-N 2 1 343.519 3.509 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000247887319 1028821690 /nfs/dbraw/zinc/82/16/90/1028821690.db2.gz DKTUKUNYXPYTML-QZTJIDSGSA-N 2 1 343.515 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000247887319 1028821697 /nfs/dbraw/zinc/82/16/97/1028821697.db2.gz DKTUKUNYXPYTML-QZTJIDSGSA-N 2 1 343.515 3.729 20 0 EHADMP CC(C)n1cncc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000424157017 1028847563 /nfs/dbraw/zinc/84/75/63/1028847563.db2.gz QGHMALQFSDSEKZ-WGMWDUQUSA-N 2 1 340.515 3.710 20 0 EHADMP CC(C)n1cncc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000424157017 1028847578 /nfs/dbraw/zinc/84/75/78/1028847578.db2.gz QGHMALQFSDSEKZ-WGMWDUQUSA-N 2 1 340.515 3.710 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000421858324 1028848143 /nfs/dbraw/zinc/84/81/43/1028848143.db2.gz RFLKNIGOAPPSDD-GJZGRUSLSA-N 2 1 342.886 3.501 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000421858324 1028848158 /nfs/dbraw/zinc/84/81/58/1028848158.db2.gz RFLKNIGOAPPSDD-GJZGRUSLSA-N 2 1 342.886 3.501 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248435254 1028902518 /nfs/dbraw/zinc/90/25/18/1028902518.db2.gz FMCRTMFKPYNBOW-MAUKXSAKSA-N 2 1 344.524 3.728 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(-c3cccc(Cl)c3)o1)CC[NH2+]CC2 ZINC000424286040 1028927545 /nfs/dbraw/zinc/92/75/45/1028927545.db2.gz GUMAFAVTFCRWAN-AWEZNQCLSA-N 2 1 345.874 3.959 20 0 EHADMP c1ccc(COCCC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000248648543 1028932755 /nfs/dbraw/zinc/93/27/55/1028932755.db2.gz UTSVXGINEDJIGI-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424298287 1028938548 /nfs/dbraw/zinc/93/85/48/1028938548.db2.gz UGZZKPAVPJPTGB-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)C[C@H]2C1 ZINC000424274393 1028947777 /nfs/dbraw/zinc/94/77/77/1028947777.db2.gz YSWAXQXXBUDALN-KNCDZKKRSA-N 2 1 343.446 3.613 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302353 1028948477 /nfs/dbraw/zinc/94/84/77/1028948477.db2.gz ZFULPWRKYBGPJV-ZDUSSCGKSA-N 2 1 328.378 3.549 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000248827223 1028952084 /nfs/dbraw/zinc/95/20/84/1028952084.db2.gz GNZQKGLCOROMBY-YRPNKDGESA-N 2 1 328.500 3.729 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)C[C@H]2C1 ZINC000424324064 1028971297 /nfs/dbraw/zinc/97/12/97/1028971297.db2.gz WSAFPOPKARZABV-BNXFAOBVSA-N 2 1 348.556 3.924 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)C[C@H]2C1 ZINC000424324064 1028971307 /nfs/dbraw/zinc/97/13/07/1028971307.db2.gz WSAFPOPKARZABV-BNXFAOBVSA-N 2 1 348.556 3.924 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000249039695 1028978735 /nfs/dbraw/zinc/97/87/35/1028978735.db2.gz UJYZFGNUOLOEJG-GEALJGNFSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000249039695 1028978750 /nfs/dbraw/zinc/97/87/50/1028978750.db2.gz UJYZFGNUOLOEJG-GEALJGNFSA-N 2 1 338.499 3.575 20 0 EHADMP COc1ccc([C@H](NCC[C@H]2CCC[N@H+]2C)c2ccc(F)cc2)cc1 ZINC000503073055 1029027065 /nfs/dbraw/zinc/02/70/65/1029027065.db2.gz MJYDRCKJRGZMPS-TZIWHRDSSA-N 2 1 342.458 3.998 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OCc1ccccc1 ZINC000424367885 1029031723 /nfs/dbraw/zinc/03/17/23/1029031723.db2.gz OHQLTZMDVPBPKK-RTBURBONSA-N 2 1 340.467 3.634 20 0 EHADMP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271936116 1029235627 /nfs/dbraw/zinc/23/56/27/1029235627.db2.gz AKOYDZAGEUIDGI-LEWJYISDSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074175 1029277413 /nfs/dbraw/zinc/27/74/13/1029277413.db2.gz WRUPMDQQTCFAIN-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074175 1029277425 /nfs/dbraw/zinc/27/74/25/1029277425.db2.gz WRUPMDQQTCFAIN-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074175 1029277439 /nfs/dbraw/zinc/27/74/39/1029277439.db2.gz WRUPMDQQTCFAIN-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074175 1029277453 /nfs/dbraw/zinc/27/74/53/1029277453.db2.gz WRUPMDQQTCFAIN-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053045 1029282866 /nfs/dbraw/zinc/28/28/66/1029282866.db2.gz FEKWFOYXJAEURB-YPAWHYETSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053045 1029282879 /nfs/dbraw/zinc/28/28/79/1029282879.db2.gz FEKWFOYXJAEURB-YPAWHYETSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053045 1029282886 /nfs/dbraw/zinc/28/28/86/1029282886.db2.gz FEKWFOYXJAEURB-YPAWHYETSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053045 1029282891 /nfs/dbraw/zinc/28/28/91/1029282891.db2.gz FEKWFOYXJAEURB-YPAWHYETSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053045 1029282904 /nfs/dbraw/zinc/28/29/04/1029282904.db2.gz FEKWFOYXJAEURB-YPAWHYETSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053045 1029282915 /nfs/dbraw/zinc/28/29/15/1029282915.db2.gz FEKWFOYXJAEURB-YPAWHYETSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000290053045 1029282930 /nfs/dbraw/zinc/28/29/30/1029282930.db2.gz FEKWFOYXJAEURB-YPAWHYETSA-N 3 1 341.543 3.505 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000124614550 1029283551 /nfs/dbraw/zinc/28/35/51/1029283551.db2.gz GXIPHXCAYYRZBA-HLIPFELVSA-N 2 1 336.495 3.656 20 0 EHADMP Cc1ccc2ncc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000272149901 1029333816 /nfs/dbraw/zinc/33/38/16/1029333816.db2.gz DEPJNHFBMCBGRH-QUCCMNQESA-N 2 1 348.494 3.643 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164181 1029339536 /nfs/dbraw/zinc/33/95/36/1029339536.db2.gz GNFISHKJWROWOJ-YLJYHZDGSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc2n(n1)CCCC2 ZINC000647281260 1029353156 /nfs/dbraw/zinc/35/31/56/1029353156.db2.gz FOAQJVRVYVKHRY-KRWDZBQOSA-N 2 1 338.499 3.666 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272333970 1029421133 /nfs/dbraw/zinc/42/11/33/1029421133.db2.gz NEQMHZUKXZSCJM-XMSQKQJNSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272333970 1029421136 /nfs/dbraw/zinc/42/11/36/1029421136.db2.gz NEQMHZUKXZSCJM-XMSQKQJNSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333970 1029421139 /nfs/dbraw/zinc/42/11/39/1029421139.db2.gz NEQMHZUKXZSCJM-XMSQKQJNSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333970 1029421144 /nfs/dbraw/zinc/42/11/44/1029421144.db2.gz NEQMHZUKXZSCJM-XMSQKQJNSA-N 2 1 338.495 3.664 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000583269829 1029480987 /nfs/dbraw/zinc/48/09/87/1029480987.db2.gz FNILCMGSQJAQGF-UYAOXDASSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000583269829 1029480994 /nfs/dbraw/zinc/48/09/94/1029480994.db2.gz FNILCMGSQJAQGF-UYAOXDASSA-N 2 1 330.422 3.932 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272504196 1029487241 /nfs/dbraw/zinc/48/72/41/1029487241.db2.gz ODWRIFOHFDUVDT-QAPCUYQASA-N 2 1 327.472 3.546 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272504196 1029487252 /nfs/dbraw/zinc/48/72/52/1029487252.db2.gz ODWRIFOHFDUVDT-QAPCUYQASA-N 2 1 327.472 3.546 20 0 EHADMP CCC[N@@H+](Cc1ccc(N(C)c2ccccc2)nc1)C1CC[NH2+]CC1 ZINC000261944873 1029534053 /nfs/dbraw/zinc/53/40/53/1029534053.db2.gz NEONSAPJLWXITA-UHFFFAOYSA-N 2 1 338.499 3.814 20 0 EHADMP CC(C)C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000162844788 1029579562 /nfs/dbraw/zinc/57/95/62/1029579562.db2.gz USDWSIVQOSFDDK-NSHGMRRFSA-N 2 1 333.520 3.648 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125943223 1029637465 /nfs/dbraw/zinc/63/74/65/1029637465.db2.gz NPUOCHZIFPOIDT-MJGOQNOKSA-N 2 1 326.488 3.743 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125943223 1029637471 /nfs/dbraw/zinc/63/74/71/1029637471.db2.gz NPUOCHZIFPOIDT-MJGOQNOKSA-N 2 1 326.488 3.743 20 0 EHADMP CC[NH+](CC)C[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463117402 1029640301 /nfs/dbraw/zinc/64/03/01/1029640301.db2.gz VHJXZIVWLNJYFM-INIZCTEOSA-N 2 1 337.939 3.624 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089633 1029644172 /nfs/dbraw/zinc/64/41/72/1029644172.db2.gz INMDQZDCBDBSJL-TZIWHRDSSA-N 2 1 339.458 3.804 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089633 1029644177 /nfs/dbraw/zinc/64/41/77/1029644177.db2.gz INMDQZDCBDBSJL-TZIWHRDSSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089633 1029644180 /nfs/dbraw/zinc/64/41/80/1029644180.db2.gz INMDQZDCBDBSJL-TZIWHRDSSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000246089633 1029644183 /nfs/dbraw/zinc/64/41/83/1029644183.db2.gz INMDQZDCBDBSJL-TZIWHRDSSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000525180516 1029730178 /nfs/dbraw/zinc/73/01/78/1029730178.db2.gz PWDYJTOUFJSEOX-UHFFFAOYSA-N 2 1 338.495 3.882 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548793254 1029754425 /nfs/dbraw/zinc/75/44/25/1029754425.db2.gz WNMDVCOBMUVWJY-GIVPXCGWSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]([NH2+]CCc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714918 1029776848 /nfs/dbraw/zinc/77/68/48/1029776848.db2.gz HVDVDAGUBUXOHD-XLIONFOSSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000237478249 1029786453 /nfs/dbraw/zinc/78/64/53/1029786453.db2.gz YFGZGDPTVPRIHR-MRXNPFEDSA-N 2 1 329.488 3.519 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000446839690 1029821755 /nfs/dbraw/zinc/82/17/55/1029821755.db2.gz BQQJPQKJOWOIAH-UHFFFAOYSA-N 2 1 344.421 3.932 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000274311488 1029839381 /nfs/dbraw/zinc/83/93/81/1029839381.db2.gz VIAZZXNNYIBKGW-DBOLQNLKSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000274311488 1029839390 /nfs/dbraw/zinc/83/93/90/1029839390.db2.gz VIAZZXNNYIBKGW-DBOLQNLKSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H](CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000287592494 1029845692 /nfs/dbraw/zinc/84/56/92/1029845692.db2.gz IEJHVYGFODTPHX-HYVNUMGLSA-N 2 1 344.421 3.597 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@@H](C)C1 ZINC000481737680 1029895761 /nfs/dbraw/zinc/89/57/61/1029895761.db2.gz PEZOOOBTUFKKKM-PZJWPPBQSA-N 2 1 346.559 3.999 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000453254747 1029986176 /nfs/dbraw/zinc/98/61/76/1029986176.db2.gz RIAATAIHKKWWSR-VCOUNFBDSA-N 2 1 344.543 3.833 20 0 EHADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531932496 1030086470 /nfs/dbraw/zinc/08/64/70/1030086470.db2.gz PTEDCDZVBGDFSQ-RBUKOAKNSA-N 2 1 343.540 3.778 20 0 EHADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000453324214 1030103763 /nfs/dbraw/zinc/10/37/63/1030103763.db2.gz QLWZMIPKSJOISX-KANFNMMFSA-N 2 1 336.907 3.532 20 0 EHADMP Cc1cnccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771323 1030155515 /nfs/dbraw/zinc/15/55/15/1030155515.db2.gz BGCZWSHOPCJUEK-OAQYLSRUSA-N 2 1 335.495 3.782 20 0 EHADMP CCc1ncc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000453385567 1030165179 /nfs/dbraw/zinc/16/51/79/1030165179.db2.gz NWNRCNXSMCTUFJ-UHFFFAOYSA-N 2 1 327.472 3.770 20 0 EHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163222083 1030171636 /nfs/dbraw/zinc/17/16/36/1030171636.db2.gz WXTFCPJVHHBLPL-NSISKUIASA-N 2 1 326.488 3.514 20 0 EHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163222083 1030171639 /nfs/dbraw/zinc/17/16/39/1030171639.db2.gz WXTFCPJVHHBLPL-NSISKUIASA-N 2 1 326.488 3.514 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000482151330 1030230140 /nfs/dbraw/zinc/23/01/40/1030230140.db2.gz ONVSJVIIKMFYDF-GDBMZVCRSA-N 2 1 338.517 3.525 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(-c2ccccc2)nn1C ZINC000453394407 1030244129 /nfs/dbraw/zinc/24/41/29/1030244129.db2.gz GTOITYIHSMORCW-MRXNPFEDSA-N 2 1 326.488 3.612 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2C)cc1 ZINC000531995126 1030246494 /nfs/dbraw/zinc/24/64/94/1030246494.db2.gz ZTKRLDWDWNTENT-IERDGZPVSA-N 2 1 335.451 3.873 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000453444259 1030264392 /nfs/dbraw/zinc/26/43/92/1030264392.db2.gz XVXGIADZIAUPTK-XRXFAXGQSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598347 1030336216 /nfs/dbraw/zinc/33/62/16/1030336216.db2.gz HSOXCXORRROGFV-QSPRXWTASA-N 2 1 326.406 3.970 20 0 EHADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447579364 1030344496 /nfs/dbraw/zinc/34/44/96/1030344496.db2.gz KHTNWKHUAZBWAY-QLOGHZTQSA-N 2 1 342.527 3.831 20 0 EHADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(OC(F)F)cc1C ZINC000453595620 1030355751 /nfs/dbraw/zinc/35/57/51/1030355751.db2.gz KEJUERZHYMHMDH-UHFFFAOYSA-N 2 1 326.431 3.869 20 0 EHADMP COc1cccc(CCC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000429718488 1030374341 /nfs/dbraw/zinc/37/43/41/1030374341.db2.gz NFCMLJXZRKMAEJ-UHFFFAOYSA-N 2 1 340.467 3.875 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000129863992 1030573550 /nfs/dbraw/zinc/57/35/50/1030573550.db2.gz IPJWSRPUIGDGEB-XLIONFOSSA-N 2 1 330.516 3.966 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000151123219 1030601253 /nfs/dbraw/zinc/60/12/53/1030601253.db2.gz DQXXGGJGIQLUKB-YOEHRIQHSA-N 2 1 344.421 3.714 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000151123219 1030601257 /nfs/dbraw/zinc/60/12/57/1030601257.db2.gz DQXXGGJGIQLUKB-YOEHRIQHSA-N 2 1 344.421 3.714 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650750484 1030636093 /nfs/dbraw/zinc/63/60/93/1030636093.db2.gz GALOURTXWZEZCB-DUXKGJEZSA-N 2 1 335.495 3.523 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650750484 1030636102 /nfs/dbraw/zinc/63/61/02/1030636102.db2.gz GALOURTXWZEZCB-DUXKGJEZSA-N 2 1 335.495 3.523 20 0 EHADMP C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668098329 1030636613 /nfs/dbraw/zinc/63/66/13/1030636613.db2.gz FJMGFFSIUGQHDI-FQEVSTJZSA-N 2 1 336.414 3.570 20 0 EHADMP C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668098329 1030636623 /nfs/dbraw/zinc/63/66/23/1030636623.db2.gz FJMGFFSIUGQHDI-FQEVSTJZSA-N 2 1 336.414 3.570 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644448 1030647473 /nfs/dbraw/zinc/64/74/73/1030647473.db2.gz KTPZOOCBPAEUFU-PXNSSMCTSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644448 1030647489 /nfs/dbraw/zinc/64/74/89/1030647489.db2.gz KTPZOOCBPAEUFU-PXNSSMCTSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644448 1030647499 /nfs/dbraw/zinc/64/74/99/1030647499.db2.gz KTPZOOCBPAEUFU-PXNSSMCTSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644448 1030647512 /nfs/dbraw/zinc/64/75/12/1030647512.db2.gz KTPZOOCBPAEUFU-PXNSSMCTSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000527115933 1030661978 /nfs/dbraw/zinc/66/19/78/1030661978.db2.gz IBTOAXGZKYSDPU-CTNGQTDRSA-N 2 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCC[C@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115933 1030661982 /nfs/dbraw/zinc/66/19/82/1030661982.db2.gz IBTOAXGZKYSDPU-CTNGQTDRSA-N 3 1 349.607 3.941 20 0 EHADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000527115933 1030661985 /nfs/dbraw/zinc/66/19/85/1030661985.db2.gz IBTOAXGZKYSDPU-CTNGQTDRSA-N 3 1 349.607 3.941 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681996 1030745892 /nfs/dbraw/zinc/74/58/92/1030745892.db2.gz JMWROZLYCJWGFP-YYWHXJBOSA-N 2 1 348.531 3.873 20 0 EHADMP CCC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550881708 1030757056 /nfs/dbraw/zinc/75/70/56/1030757056.db2.gz CABKRJDLHPSJBI-VEDCXYSMSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000482884836 1030780112 /nfs/dbraw/zinc/78/01/12/1030780112.db2.gz FYMKFYHQMKTPHZ-NQIIRXRSSA-N 2 1 332.532 3.773 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1)CC(C)C ZINC000668168174 1030830196 /nfs/dbraw/zinc/83/01/96/1030830196.db2.gz PTOOJGMFLLDPNR-UHFFFAOYSA-N 2 1 346.563 3.878 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000123044682 1030876535 /nfs/dbraw/zinc/87/65/35/1030876535.db2.gz UCVWJOUXBVYQDU-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000123044682 1030876559 /nfs/dbraw/zinc/87/65/59/1030876559.db2.gz UCVWJOUXBVYQDU-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044682 1030876582 /nfs/dbraw/zinc/87/65/82/1030876582.db2.gz UCVWJOUXBVYQDU-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044682 1030876602 /nfs/dbraw/zinc/87/66/02/1030876602.db2.gz UCVWJOUXBVYQDU-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c2ccccc21 ZINC000551049811 1030980148 /nfs/dbraw/zinc/98/01/48/1030980148.db2.gz BFJUDMKACNBWGH-IAGOWNOFSA-N 2 1 344.474 3.866 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CCS2 ZINC000343472747 1031022610 /nfs/dbraw/zinc/02/26/10/1031022610.db2.gz WGIRNVLRTYTZSI-QGZVFWFLSA-N 2 1 334.529 3.944 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000551087086 1031029909 /nfs/dbraw/zinc/02/99/09/1031029909.db2.gz MCSDLVXHCUXIEY-PWRODBHTSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551087086 1031029925 /nfs/dbraw/zinc/02/99/25/1031029925.db2.gz MCSDLVXHCUXIEY-PWRODBHTSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551087086 1031029943 /nfs/dbraw/zinc/02/99/43/1031029943.db2.gz MCSDLVXHCUXIEY-PWRODBHTSA-N 2 1 329.532 3.532 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000131441115 1031050523 /nfs/dbraw/zinc/05/05/23/1031050523.db2.gz ALIVDSJNDDRIEQ-CQSZACIVSA-N 2 1 332.517 3.896 20 0 EHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000483299210 1031095822 /nfs/dbraw/zinc/09/58/22/1031095822.db2.gz UDXRFQWPFLOPJO-OKILXGFUSA-N 2 1 342.936 3.723 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000483299210 1031095839 /nfs/dbraw/zinc/09/58/39/1031095839.db2.gz UDXRFQWPFLOPJO-OKILXGFUSA-N 2 1 342.936 3.723 20 0 EHADMP CC(C)Oc1cc(Cl)c(C[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000527726293 1031155689 /nfs/dbraw/zinc/15/56/89/1031155689.db2.gz HCAUONRWSFUWFM-UHFFFAOYSA-N 2 1 342.270 3.846 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2O1 ZINC000537698924 1031224920 /nfs/dbraw/zinc/22/49/20/1031224920.db2.gz YXMNYABGDUPFOS-YLJYHZDGSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2O1 ZINC000537698924 1031224935 /nfs/dbraw/zinc/22/49/35/1031224935.db2.gz YXMNYABGDUPFOS-YLJYHZDGSA-N 2 1 340.511 3.849 20 0 EHADMP CC1(C)Cc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2O1 ZINC000537698924 1031224951 /nfs/dbraw/zinc/22/49/51/1031224951.db2.gz YXMNYABGDUPFOS-YLJYHZDGSA-N 2 1 340.511 3.849 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000565697226 1031344182 /nfs/dbraw/zinc/34/41/82/1031344182.db2.gz GHYZGSXNLMPIGM-UGNRZPKXSA-N 2 1 330.516 3.964 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161636 1031479333 /nfs/dbraw/zinc/47/93/33/1031479333.db2.gz NJUVGGDJBKVNNW-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161636 1031479346 /nfs/dbraw/zinc/47/93/46/1031479346.db2.gz NJUVGGDJBKVNNW-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP COCCC1CC[NH+]([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000527933900 1031496451 /nfs/dbraw/zinc/49/64/51/1031496451.db2.gz JDBDUTJGLIYDAL-INIZCTEOSA-N 2 1 327.472 3.990 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC[N@@H+]1C ZINC000647321707 1031690672 /nfs/dbraw/zinc/69/06/72/1031690672.db2.gz GWGYWVSSEAGFAZ-YUELXQCFSA-N 2 1 331.891 3.751 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC[N@H+]1C ZINC000647321707 1031690681 /nfs/dbraw/zinc/69/06/81/1031690681.db2.gz GWGYWVSSEAGFAZ-YUELXQCFSA-N 2 1 331.891 3.751 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC(C3CC3)C3CC3)CC2)cc1 ZINC000584087465 1031694708 /nfs/dbraw/zinc/69/47/08/1031694708.db2.gz PRNPHKVLWTWOJO-UHFFFAOYSA-N 2 1 330.491 3.858 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)[C@H](c1ccccc1)C2 ZINC000178976331 1031724686 /nfs/dbraw/zinc/72/46/86/1031724686.db2.gz XKHSNTRNYDSMBD-QFIPXVFZSA-N 2 1 336.479 3.794 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000195138183 1032050574 /nfs/dbraw/zinc/05/05/74/1032050574.db2.gz FLRWOHBAAJUFAW-SJLPKXTDSA-N 2 1 338.451 3.588 20 0 EHADMP C[C@H]([NH2+][C@H]1CCOC12CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898112055 1033335293 /nfs/dbraw/zinc/33/52/93/1033335293.db2.gz OQIPYCQRNVDSSD-IHPCNDPISA-N 2 1 328.500 3.588 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000685443818 1033336876 /nfs/dbraw/zinc/33/68/76/1033336876.db2.gz PZEQSEZIQUUYLX-UBLGTCEWSA-N 2 1 346.515 3.930 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000685443818 1033336890 /nfs/dbraw/zinc/33/68/90/1033336890.db2.gz PZEQSEZIQUUYLX-UBLGTCEWSA-N 2 1 346.515 3.930 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000685443818 1033336901 /nfs/dbraw/zinc/33/69/01/1033336901.db2.gz PZEQSEZIQUUYLX-UBLGTCEWSA-N 2 1 346.515 3.930 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000685443818 1033336911 /nfs/dbraw/zinc/33/69/11/1033336911.db2.gz PZEQSEZIQUUYLX-UBLGTCEWSA-N 2 1 346.515 3.930 20 0 EHADMP CCC[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457921 1033348963 /nfs/dbraw/zinc/34/89/63/1033348963.db2.gz SUAYXYGLLWNEMS-RBBKRZOGSA-N 2 1 343.559 3.671 20 0 EHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000594494857 1033397225 /nfs/dbraw/zinc/39/72/25/1033397225.db2.gz JJBQJERMUORVDU-OXJNMPFZSA-N 2 1 344.499 3.561 20 0 EHADMP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000594622849 1033465557 /nfs/dbraw/zinc/46/55/57/1033465557.db2.gz HDNZJLNENXEFID-FQEVSTJZSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289558237 1033500096 /nfs/dbraw/zinc/50/00/96/1033500096.db2.gz YGPANGVCKGLWLN-YUXAGFNASA-N 2 1 338.495 3.610 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535695 1033507821 /nfs/dbraw/zinc/50/78/21/1033507821.db2.gz VKPDFEBCUBJSTI-BBRMVZONSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708580709 1033571183 /nfs/dbraw/zinc/57/11/83/1033571183.db2.gz AOSNAWLLDFHHKJ-PXNSSMCTSA-N 2 1 326.459 3.992 20 0 EHADMP Cc1ccc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708580709 1033571196 /nfs/dbraw/zinc/57/11/96/1033571196.db2.gz AOSNAWLLDFHHKJ-PXNSSMCTSA-N 2 1 326.459 3.992 20 0 EHADMP Cc1ccc([C@@H](C)C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000628233621 1033785777 /nfs/dbraw/zinc/78/57/77/1033785777.db2.gz MLZOOOAMXKINSD-INIZCTEOSA-N 2 1 338.499 3.764 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017770 1033843609 /nfs/dbraw/zinc/84/36/09/1033843609.db2.gz BBHGXCPZBGMUGB-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017772 1033844023 /nfs/dbraw/zinc/84/40/23/1033844023.db2.gz BBHGXCPZBGMUGB-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000575107205 1033878667 /nfs/dbraw/zinc/87/86/67/1033878667.db2.gz NLUXWOZDYCWMMG-UONOGXRCSA-N 2 1 340.309 3.615 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000575107205 1033878683 /nfs/dbraw/zinc/87/86/83/1033878683.db2.gz NLUXWOZDYCWMMG-UONOGXRCSA-N 2 1 340.309 3.615 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091711 1033920952 /nfs/dbraw/zinc/92/09/52/1033920952.db2.gz NKJKWOWJVUNDLX-JRGCBEDISA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000085306372 1033952062 /nfs/dbraw/zinc/95/20/62/1033952062.db2.gz LWGMPWHAQHMIQS-XMMPIXPASA-N 2 1 344.524 3.554 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC001168314637 1033959746 /nfs/dbraw/zinc/95/97/46/1033959746.db2.gz NXVZGAAKHYISBA-UHFFFAOYSA-N 2 1 325.294 3.754 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1Cl ZINC000658143256 1033988831 /nfs/dbraw/zinc/98/88/31/1033988831.db2.gz GUBYRJYYFHUZFW-MAUKXSAKSA-N 2 1 344.886 3.757 20 0 EHADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658138218 1034000981 /nfs/dbraw/zinc/00/09/81/1034000981.db2.gz IZVUGFWFPRPQMJ-GCJKJVERSA-N 2 1 338.495 3.721 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001168322167 1034082377 /nfs/dbraw/zinc/08/23/77/1034082377.db2.gz OLZPYSOUKMAQRR-ZGJBTBESSA-N 2 1 342.527 3.898 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)O1 ZINC000658215617 1034098539 /nfs/dbraw/zinc/09/85/39/1034098539.db2.gz KBCFUQOKYRYVGT-GHOZHQTGSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529529762 1034114780 /nfs/dbraw/zinc/11/47/80/1034114780.db2.gz DHLWZOOVIDKBMA-IRXDYDNUSA-N 2 1 341.474 3.988 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000658265020 1034127400 /nfs/dbraw/zinc/12/74/00/1034127400.db2.gz VQUIMSIGIDFMLW-CWJKEVGVSA-N 2 1 330.516 3.659 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000658287167 1034161516 /nfs/dbraw/zinc/16/15/16/1034161516.db2.gz YWEZHYPTYPSWSZ-UHFFFAOYSA-N 2 1 330.516 3.570 20 0 EHADMP COC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658319461 1034197470 /nfs/dbraw/zinc/19/74/70/1034197470.db2.gz BHQVJTMVFJBPRO-MWXLCCTBSA-N 2 1 342.527 3.836 20 0 EHADMP FC(F)[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354646 1034234624 /nfs/dbraw/zinc/23/46/24/1034234624.db2.gz FBZLLDLTBSJNPK-IBGZPJMESA-N 2 1 336.470 3.965 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001168120030 1034278473 /nfs/dbraw/zinc/27/84/73/1034278473.db2.gz UTYAJWVENUSVLW-AOIWGVFYSA-N 2 1 332.488 3.524 20 0 EHADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456289156 1034281965 /nfs/dbraw/zinc/28/19/65/1034281965.db2.gz XLDMEAGGQNLMHT-QGZVFWFLSA-N 2 1 343.496 3.611 20 0 EHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)ccc21 ZINC000456283382 1034304197 /nfs/dbraw/zinc/30/41/97/1034304197.db2.gz SRETXPXIIUPPNH-UXHICEINSA-N 2 1 341.499 3.581 20 0 EHADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000060342612 1034415529 /nfs/dbraw/zinc/41/55/29/1034415529.db2.gz DWTVJPNZOSCUHL-UHFFFAOYSA-N 2 1 340.471 3.596 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000340185876 1034444024 /nfs/dbraw/zinc/44/40/24/1034444024.db2.gz QECJZTWZAVKVBQ-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000340185876 1034444034 /nfs/dbraw/zinc/44/40/34/1034444034.db2.gz QECJZTWZAVKVBQ-RBBKRZOGSA-N 2 1 346.478 3.797 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340351324 1034486714 /nfs/dbraw/zinc/48/67/14/1034486714.db2.gz AFYFSOWNLNKKKM-OLMNPRSZSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340351324 1034486734 /nfs/dbraw/zinc/48/67/34/1034486734.db2.gz AFYFSOWNLNKKKM-OLMNPRSZSA-N 2 1 329.513 3.980 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000450540991 1034515825 /nfs/dbraw/zinc/51/58/25/1034515825.db2.gz PRVYXZZDOZRLQG-HXUWFJFHSA-N 2 1 325.456 3.554 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000390548265 1034760524 /nfs/dbraw/zinc/76/05/24/1034760524.db2.gz JFSXJQJLKBWAQD-OSYNSWQESA-N 2 1 342.527 3.975 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000121455257 1034958269 /nfs/dbraw/zinc/95/82/69/1034958269.db2.gz CFGGPDFOYARFPD-VQIMIIECSA-N 2 1 330.472 3.659 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140502 1035076616 /nfs/dbraw/zinc/07/66/16/1035076616.db2.gz AMKGGYHPRZIWBQ-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140502 1035076623 /nfs/dbraw/zinc/07/66/23/1035076623.db2.gz AMKGGYHPRZIWBQ-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140502 1035076628 /nfs/dbraw/zinc/07/66/28/1035076628.db2.gz AMKGGYHPRZIWBQ-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140502 1035076635 /nfs/dbraw/zinc/07/66/35/1035076635.db2.gz AMKGGYHPRZIWBQ-ZBFHGGJFSA-N 2 1 344.421 3.932 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn(C)n1 ZINC000414079222 1035454556 /nfs/dbraw/zinc/45/45/56/1035454556.db2.gz RSSZLTCEZVCYAS-KRWDZBQOSA-N 2 1 326.488 3.647 20 0 EHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001168163790 1035499360 /nfs/dbraw/zinc/49/93/60/1035499360.db2.gz CDDWOGHLYYUXEC-HNNXBMFYSA-N 3 1 339.955 3.746 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168379334 1035536156 /nfs/dbraw/zinc/53/61/56/1035536156.db2.gz IAVBWKWNEMKHTF-IBGZPJMESA-N 2 1 344.499 3.715 20 0 EHADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2OC)cc1 ZINC000571537617 1035551531 /nfs/dbraw/zinc/55/15/31/1035551531.db2.gz LASLFZYDUMBZOE-LZJOCLMNSA-N 2 1 340.467 3.653 20 0 EHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696894 1035595116 /nfs/dbraw/zinc/59/51/16/1035595116.db2.gz YQDHBNXIVCBBGX-UKRRQHHQSA-N 2 1 330.394 3.676 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136042 1035700787 /nfs/dbraw/zinc/70/07/87/1035700787.db2.gz HPHPKARTABPLTP-MJGOQNOKSA-N 2 1 349.950 3.592 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000187102886 1035762475 /nfs/dbraw/zinc/76/24/75/1035762475.db2.gz BEVXYCMZDVHOSC-UHFFFAOYSA-N 2 1 339.483 3.723 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000282448911 1035794372 /nfs/dbraw/zinc/79/43/72/1035794372.db2.gz NQMYBUSVFNWSJN-NJYVYQBISA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000282448911 1035794386 /nfs/dbraw/zinc/79/43/86/1035794386.db2.gz NQMYBUSVFNWSJN-NJYVYQBISA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282448911 1035794406 /nfs/dbraw/zinc/79/44/06/1035794406.db2.gz NQMYBUSVFNWSJN-NJYVYQBISA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000282448911 1035794423 /nfs/dbraw/zinc/79/44/23/1035794423.db2.gz NQMYBUSVFNWSJN-NJYVYQBISA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282448911 1035794437 /nfs/dbraw/zinc/79/44/37/1035794437.db2.gz NQMYBUSVFNWSJN-NJYVYQBISA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000414169694 1035869797 /nfs/dbraw/zinc/86/97/97/1035869797.db2.gz BKISMMBVPZIFOK-KGLIPLIRSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414172639 1035885266 /nfs/dbraw/zinc/88/52/66/1035885266.db2.gz FPUBTXAQAZFHLN-GDBMZVCRSA-N 2 1 344.528 3.896 20 0 EHADMP c1ccc([C@H]2CCCN2CCC[N@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000535011359 1035898787 /nfs/dbraw/zinc/89/87/87/1035898787.db2.gz NACLVSLGPXULLF-OYRHEFFESA-N 2 1 336.483 3.841 20 0 EHADMP c1ccc([C@H]2CCC[N@H+]2CCCN2CCC[C@H]2c2ccccn2)nc1 ZINC000535011359 1035898812 /nfs/dbraw/zinc/89/88/12/1035898812.db2.gz NACLVSLGPXULLF-OYRHEFFESA-N 2 1 336.483 3.841 20 0 EHADMP c1ccc([C@H]2CCC[N@@H+]2CCCN2CCC[C@H]2c2ccccn2)nc1 ZINC000535011359 1035898839 /nfs/dbraw/zinc/89/88/39/1035898839.db2.gz NACLVSLGPXULLF-OYRHEFFESA-N 2 1 336.483 3.841 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414175431 1035899939 /nfs/dbraw/zinc/89/99/39/1035899939.db2.gz IFRWMFDGQSYHHI-SJORKVTESA-N 2 1 346.519 3.599 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000414184787 1035946982 /nfs/dbraw/zinc/94/69/82/1035946982.db2.gz OIOXWNDKWJRXGF-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000414188517 1035957163 /nfs/dbraw/zinc/95/71/63/1035957163.db2.gz QIGZONHFXDWSQK-YLJYHZDGSA-N 2 1 338.499 3.571 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)CC1 ZINC000572205448 1036041459 /nfs/dbraw/zinc/04/14/59/1036041459.db2.gz JPMXIBZXUBOOEC-QFIPXVFZSA-N 2 1 335.495 3.912 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000189263384 1036048538 /nfs/dbraw/zinc/04/85/38/1036048538.db2.gz ZXXFLIBFFUEHGT-RYTOZCKSSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Oc1cccnc1 ZINC000572286243 1036074924 /nfs/dbraw/zinc/07/49/24/1036074924.db2.gz YTIWWVGJXICNOU-OAQYLSRUSA-N 2 1 337.467 3.758 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000464067059 1036083627 /nfs/dbraw/zinc/08/36/27/1036083627.db2.gz SYRMYZNDLMDALA-PCCBWWKXSA-N 2 1 330.516 3.823 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CC1(F)F ZINC000666229571 1036521644 /nfs/dbraw/zinc/52/16/44/1036521644.db2.gz RLULLAXBQKLBHS-SXXASDTRSA-N 2 1 334.454 3.920 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398136623 1036537905 /nfs/dbraw/zinc/53/79/05/1036537905.db2.gz LFEKZIZTPMLONW-KKSFZXQISA-N 2 1 342.458 3.835 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398136623 1036537912 /nfs/dbraw/zinc/53/79/12/1036537912.db2.gz LFEKZIZTPMLONW-KKSFZXQISA-N 2 1 342.458 3.835 20 0 EHADMP CCn1nc(C)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000398154726 1036549494 /nfs/dbraw/zinc/54/94/94/1036549494.db2.gz QJZWOLBPRWGTDC-KKSFZXQISA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000398154726 1036549517 /nfs/dbraw/zinc/54/95/17/1036549517.db2.gz QJZWOLBPRWGTDC-KKSFZXQISA-N 2 1 340.515 3.520 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000398154726 1036549528 /nfs/dbraw/zinc/54/95/28/1036549528.db2.gz QJZWOLBPRWGTDC-KKSFZXQISA-N 2 1 340.515 3.520 20 0 EHADMP Fc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000193080135 1036578323 /nfs/dbraw/zinc/57/83/23/1036578323.db2.gz TWPKLAKEGVFDIX-UHFFFAOYSA-N 2 1 343.446 3.789 20 0 EHADMP CCCC1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000539408464 1036731129 /nfs/dbraw/zinc/73/11/29/1036731129.db2.gz WYEKIGBBXZLLPG-HAMDTZRPSA-N 2 1 335.580 3.551 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916923 1036768649 /nfs/dbraw/zinc/76/86/49/1036768649.db2.gz HEBIZTYQFOJNMT-XHDPSFHLSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916923 1036768668 /nfs/dbraw/zinc/76/86/68/1036768668.db2.gz HEBIZTYQFOJNMT-XHDPSFHLSA-N 2 1 344.286 3.524 20 0 EHADMP COc1cccc(-c2csc(C[NH2+]CCCn3cc[nH+]c3C)n2)c1 ZINC000892624441 1036781214 /nfs/dbraw/zinc/78/12/14/1036781214.db2.gz SWQAZCVITSWQMU-UHFFFAOYSA-N 2 1 342.468 3.504 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000539509710 1036850867 /nfs/dbraw/zinc/85/08/67/1036850867.db2.gz YYLZLGOERSDFJA-HBMCJLEFSA-N 2 1 342.527 3.964 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000462357447 1036867161 /nfs/dbraw/zinc/86/71/61/1036867161.db2.gz HPSXNYBMPGMYPX-UEXGIBASSA-N 2 1 330.516 3.966 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000462357447 1036867185 /nfs/dbraw/zinc/86/71/85/1036867185.db2.gz HPSXNYBMPGMYPX-UEXGIBASSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1ccc(-c2nnc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)o2)cc1 ZINC000590786325 1037049393 /nfs/dbraw/zinc/04/93/93/1037049393.db2.gz QNJDBIWYXOTJLK-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP Cc1ccc(-c2nnc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)o2)cc1 ZINC000590786325 1037049401 /nfs/dbraw/zinc/04/94/01/1037049401.db2.gz QNJDBIWYXOTJLK-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000590786179 1037051730 /nfs/dbraw/zinc/05/17/30/1037051730.db2.gz FRHHCCHRQBQCNT-UHFFFAOYSA-N 2 1 326.431 3.840 20 0 EHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786670 1037057404 /nfs/dbraw/zinc/05/74/04/1037057404.db2.gz JPMWTDPNLUYMDW-SFHVURJKSA-N 2 1 345.531 3.683 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000375643179 1037227577 /nfs/dbraw/zinc/22/75/77/1037227577.db2.gz VGUSWYPTOIKSLX-ACRUOGEOSA-N 2 1 330.516 3.692 20 0 EHADMP Fc1cnccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000648514373 1037320721 /nfs/dbraw/zinc/32/07/21/1037320721.db2.gz VNNPWPWFEMYJIM-QKNQBKEWSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1cnccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000648514373 1037320738 /nfs/dbraw/zinc/32/07/38/1037320738.db2.gz VNNPWPWFEMYJIM-QKNQBKEWSA-N 2 1 339.458 3.611 20 0 EHADMP OC1CC[NH+](CCC[NH2+]Cc2ccc3oc4ccccc4c3c2)CC1 ZINC000892669177 1037494087 /nfs/dbraw/zinc/49/40/87/1037494087.db2.gz DCNRNUFRFMRSFW-UHFFFAOYSA-N 2 1 338.451 3.522 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423475348 1037495386 /nfs/dbraw/zinc/49/53/86/1037495386.db2.gz KEQUTFVUANMBPK-IKWCTNDRSA-N 2 1 328.369 3.578 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OCc1ccccc1 ZINC000491595406 1037576695 /nfs/dbraw/zinc/57/66/95/1037576695.db2.gz ZTFFDPDPZNQPDH-QGZVFWFLSA-N 2 1 342.483 3.562 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653897 1037671989 /nfs/dbraw/zinc/67/19/89/1037671989.db2.gz BJWZLYHWPZOXEH-JRGCBEDISA-N 2 1 330.516 3.962 20 0 EHADMP C[C@@H]1CSCC[NH+]1Cc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000532578658 1037693018 /nfs/dbraw/zinc/69/30/18/1037693018.db2.gz MFESCNVUZGXHIJ-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H]1CSCC[N@H+]1Cc1ccc(C[NH+]2CCSC[C@@H]2C)cc1 ZINC000532578658 1037693031 /nfs/dbraw/zinc/69/30/31/1037693031.db2.gz MFESCNVUZGXHIJ-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H]1CSCC[N@@H+]1Cc1ccc(C[NH+]2CCSC[C@@H]2C)cc1 ZINC000532578658 1037693036 /nfs/dbraw/zinc/69/30/36/1037693036.db2.gz MFESCNVUZGXHIJ-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493905116 1037703488 /nfs/dbraw/zinc/70/34/88/1037703488.db2.gz GOFJLSYDIHZHTC-MRXNPFEDSA-N 2 1 337.305 3.819 20 0 EHADMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463142097 1037788524 /nfs/dbraw/zinc/78/85/24/1037788524.db2.gz LFBIVGQTCJNUGV-UHFFFAOYSA-N 2 1 326.459 3.931 20 0 EHADMP Clc1ccccc1C[NH+]1CCC(NCC[NH+]2CCCCCC2)CC1 ZINC000463137734 1037801989 /nfs/dbraw/zinc/80/19/89/1037801989.db2.gz MQEOKOYSPBRSBB-UHFFFAOYSA-N 2 1 349.950 3.770 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[NH+](CC[C@H]4CCCC[N@@H+]4C)C3)nc2c1 ZINC000540321937 1037813629 /nfs/dbraw/zinc/81/36/29/1037813629.db2.gz XLFDKLALFAMLOZ-ZWKOTPCHSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321937 1037813648 /nfs/dbraw/zinc/81/36/48/1037813648.db2.gz XLFDKLALFAMLOZ-ZWKOTPCHSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC[C@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321937 1037813669 /nfs/dbraw/zinc/81/36/69/1037813669.db2.gz XLFDKLALFAMLOZ-ZWKOTPCHSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@H]4CCCC[N@H+]4C)C3)[nH]c2c1 ZINC000540321937 1037813677 /nfs/dbraw/zinc/81/36/77/1037813677.db2.gz XLFDKLALFAMLOZ-ZWKOTPCHSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[NH+](CC[C@H]4CCCC[N@@H+]4C)C3)[nH]c2c1 ZINC000540321937 1037813700 /nfs/dbraw/zinc/81/37/00/1037813700.db2.gz XLFDKLALFAMLOZ-ZWKOTPCHSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321937 1037813721 /nfs/dbraw/zinc/81/37/21/1037813721.db2.gz XLFDKLALFAMLOZ-ZWKOTPCHSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321937 1037813739 /nfs/dbraw/zinc/81/37/39/1037813739.db2.gz XLFDKLALFAMLOZ-ZWKOTPCHSA-N 2 1 340.515 3.925 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245062 1037930734 /nfs/dbraw/zinc/93/07/34/1037930734.db2.gz AQNLNVYMKXYFJW-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245062 1037930745 /nfs/dbraw/zinc/93/07/45/1037930745.db2.gz AQNLNVYMKXYFJW-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245062 1037930766 /nfs/dbraw/zinc/93/07/66/1037930766.db2.gz AQNLNVYMKXYFJW-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463245062 1037930793 /nfs/dbraw/zinc/93/07/93/1037930793.db2.gz AQNLNVYMKXYFJW-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245062 1037930810 /nfs/dbraw/zinc/93/08/10/1037930810.db2.gz AQNLNVYMKXYFJW-CBQOVEMMSA-N 2 1 341.543 3.646 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)c1OC ZINC000573987940 1037964589 /nfs/dbraw/zinc/96/45/89/1037964589.db2.gz MKTBNEUOXDGERW-GTPINHCMSA-N 2 1 332.488 3.680 20 0 EHADMP C[C@H](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000463273252 1037978128 /nfs/dbraw/zinc/97/81/28/1037978128.db2.gz ZEYBEUVLWXUJTO-SJBKTWHCSA-N 2 1 343.559 3.894 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC001168251754 1038179143 /nfs/dbraw/zinc/17/91/43/1038179143.db2.gz CDCPMHPNFGQJIL-UHFFFAOYSA-N 2 1 336.495 3.705 20 0 EHADMP Cc1nccn1CCCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000124862414 1038246162 /nfs/dbraw/zinc/24/61/62/1038246162.db2.gz CONDQDBHPALYNT-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000124862414 1038246172 /nfs/dbraw/zinc/24/61/72/1038246172.db2.gz CONDQDBHPALYNT-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000124862414 1038246183 /nfs/dbraw/zinc/24/61/83/1038246183.db2.gz CONDQDBHPALYNT-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000689869372 1038596513 /nfs/dbraw/zinc/59/65/13/1038596513.db2.gz MJJSCFOLXWXTCD-GIVPXCGWSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)CCO2 ZINC000183190454 1038680448 /nfs/dbraw/zinc/68/04/48/1038680448.db2.gz RVVQXDLGGMRVFV-TXPKVOOTSA-N 2 1 328.500 3.925 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903042 1038855630 /nfs/dbraw/zinc/85/56/30/1038855630.db2.gz PTKZSJMVSCOEKS-RBUKOAKNSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903042 1038855657 /nfs/dbraw/zinc/85/56/57/1038855657.db2.gz PTKZSJMVSCOEKS-RBUKOAKNSA-N 2 1 340.515 3.847 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000479917248 1038892968 /nfs/dbraw/zinc/89/29/68/1038892968.db2.gz ZNUPWNCJEMVYCH-DLBZAZTESA-N 2 1 334.504 3.927 20 0 EHADMP CCCOc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)cccc1OCC ZINC000093088980 1038996376 /nfs/dbraw/zinc/99/63/76/1038996376.db2.gz QUTARIPZUJQQLT-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000552249594 1039091975 /nfs/dbraw/zinc/09/19/75/1039091975.db2.gz DTWDQZPLFBFVHU-HSALFYBXSA-N 2 1 343.515 3.756 20 0 EHADMP CC(C)C[C@H](C)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512425988 1039096275 /nfs/dbraw/zinc/09/62/75/1039096275.db2.gz DLUSBPHMQHZTDF-UNMCSNQZSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512450023 1039195673 /nfs/dbraw/zinc/19/56/73/1039195673.db2.gz NUFBHZKXQYPKSC-NFBKMPQASA-N 2 1 349.522 3.640 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924698217 1039203420 /nfs/dbraw/zinc/20/34/20/1039203420.db2.gz NPJDDYQZYLOKSW-SFTDATJTSA-N 2 1 330.516 3.610 20 0 EHADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159849 1039328486 /nfs/dbraw/zinc/32/84/86/1039328486.db2.gz UXSPXRONLAWMCO-WOJBJXKFSA-N 2 1 336.483 3.943 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245989880 1039773602 /nfs/dbraw/zinc/77/36/02/1039773602.db2.gz QPTWHCBPUFAZSE-CVEARBPZSA-N 2 1 326.488 3.943 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000480889366 1040119620 /nfs/dbraw/zinc/11/96/20/1040119620.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480889366 1040119627 /nfs/dbraw/zinc/11/96/27/1040119627.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000480889366 1040119633 /nfs/dbraw/zinc/11/96/33/1040119633.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480889366 1040119639 /nfs/dbraw/zinc/11/96/39/1040119639.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000480889366 1040119647 /nfs/dbraw/zinc/11/96/47/1040119647.db2.gz NDZGCLDTYURZFA-PGRDOPGGSA-N 2 1 343.559 3.881 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1OCc1ccccc1 ZINC000245600438 1040149672 /nfs/dbraw/zinc/14/96/72/1040149672.db2.gz FLBYQEHFBKDVBN-IYWMVGAKSA-N 2 1 328.500 3.587 20 0 EHADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000512622318 1040290082 /nfs/dbraw/zinc/29/00/82/1040290082.db2.gz ANPNCNOKHBYWPC-PCCBWWKXSA-N 2 1 342.527 3.572 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000512637448 1040362133 /nfs/dbraw/zinc/36/21/33/1040362133.db2.gz VYNKRZDHQPILDE-BDTNDASRSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000553724302 1040372888 /nfs/dbraw/zinc/37/28/88/1040372888.db2.gz WNRDKIWEWVMZQJ-QGZVFWFLSA-N 2 1 342.531 3.659 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087710 1040469674 /nfs/dbraw/zinc/46/96/74/1040469674.db2.gz CTBIMZUWJOZDRT-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087710 1040469679 /nfs/dbraw/zinc/46/96/79/1040469679.db2.gz CTBIMZUWJOZDRT-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087710 1040469685 /nfs/dbraw/zinc/46/96/85/1040469685.db2.gz CTBIMZUWJOZDRT-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000500087710 1040469690 /nfs/dbraw/zinc/46/96/90/1040469690.db2.gz CTBIMZUWJOZDRT-QFBILLFUSA-N 2 1 346.515 3.947 20 0 EHADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713018 1040586774 /nfs/dbraw/zinc/58/67/74/1040586774.db2.gz FWASVUHERPJICQ-NEWSRXKRSA-N 2 1 330.541 3.630 20 0 EHADMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000894114497 1040677072 /nfs/dbraw/zinc/67/70/72/1040677072.db2.gz XHGCVLXWHIUYNS-UHFFFAOYSA-N 2 1 339.483 3.916 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157170967 1040749468 /nfs/dbraw/zinc/74/94/68/1040749468.db2.gz PYZZUBHUZCNANB-RDJZCZTQSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157170967 1040749485 /nfs/dbraw/zinc/74/94/85/1040749485.db2.gz PYZZUBHUZCNANB-RDJZCZTQSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157170967 1040749501 /nfs/dbraw/zinc/74/95/01/1040749501.db2.gz PYZZUBHUZCNANB-RDJZCZTQSA-N 2 1 342.405 3.544 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)[C@H](C)C1 ZINC000248728643 1040834724 /nfs/dbraw/zinc/83/47/24/1040834724.db2.gz NUKSLYCMRCKQMN-VOQZNFBZSA-N 2 1 338.495 3.707 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000491059187 1040897475 /nfs/dbraw/zinc/89/74/75/1040897475.db2.gz IDPDOJZDRIJUGZ-LJQANCHMSA-N 2 1 345.531 3.795 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CCCCC2)cc1 ZINC000481556938 1041066265 /nfs/dbraw/zinc/06/62/65/1041066265.db2.gz MFQOLKZCBXFLJQ-FXAWDEMLSA-N 2 1 330.516 3.827 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)CC[N@H+]1C ZINC000481583384 1041115273 /nfs/dbraw/zinc/11/52/73/1041115273.db2.gz QRFOFLXLJKUYHK-FUHWJXTLSA-N 2 1 344.499 3.690 20 0 EHADMP CC[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000390609025 1041118367 /nfs/dbraw/zinc/11/83/67/1041118367.db2.gz WKLMSEDJYMLSNM-WNTWWTRPSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001212145229 1041142052 /nfs/dbraw/zinc/14/20/52/1041142052.db2.gz OZIYONIREBURDW-AWEZNQCLSA-N 2 1 340.830 3.697 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c2C1 ZINC000411961129 1041194831 /nfs/dbraw/zinc/19/48/31/1041194831.db2.gz WPERQWSZAVDTBD-JYJNAYRXSA-N 2 1 329.488 3.612 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c2C1 ZINC000411961129 1041194840 /nfs/dbraw/zinc/19/48/40/1041194840.db2.gz WPERQWSZAVDTBD-JYJNAYRXSA-N 2 1 329.488 3.612 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC[N@H+]1C ZINC000481725502 1041301198 /nfs/dbraw/zinc/30/11/98/1041301198.db2.gz OSCBGBFUZHEZLX-HRAATJIYSA-N 2 1 336.479 3.861 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000388493974 1041323755 /nfs/dbraw/zinc/32/37/55/1041323755.db2.gz ADLMTYKMZRQJOB-HZSPNIEDSA-N 2 1 343.334 3.911 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCOC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513043280 1041412793 /nfs/dbraw/zinc/41/27/93/1041412793.db2.gz ZJQYBMBMGVPAQO-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513043280 1041412804 /nfs/dbraw/zinc/41/28/04/1041412804.db2.gz ZJQYBMBMGVPAQO-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2OC2CCCC2)[C@H](C)C1 ZINC000468789455 1041486473 /nfs/dbraw/zinc/48/64/73/1041486473.db2.gz CBPFVEPULHFDTM-OXQOHEQNSA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2OC2CCCC2)[C@H](C)C1 ZINC000468789455 1041486480 /nfs/dbraw/zinc/48/64/80/1041486480.db2.gz CBPFVEPULHFDTM-OXQOHEQNSA-N 2 1 346.515 3.837 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000421845827 1041944582 /nfs/dbraw/zinc/94/45/82/1041944582.db2.gz YAUJMIROPINPQD-YTQUADARSA-N 2 1 327.516 3.572 20 0 EHADMP Cc1cccc2ncc(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)n21 ZINC000343878725 1042203349 /nfs/dbraw/zinc/20/33/49/1042203349.db2.gz WWPSWDGKKNCXJO-UHFFFAOYSA-N 2 1 336.483 3.773 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250634 1042635171 /nfs/dbraw/zinc/63/51/71/1042635171.db2.gz KHTPYVIUTLWATK-YPMHNXCESA-N 2 1 329.271 3.507 20 0 EHADMP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253404 1042636558 /nfs/dbraw/zinc/63/65/58/1042636558.db2.gz USYVSUJFBLDMJX-WMZOPIPTSA-N 2 1 342.508 3.832 20 0 EHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662261974 1042639679 /nfs/dbraw/zinc/63/96/79/1042639679.db2.gz CPTQYPIRIOSNSG-AWEZNQCLSA-N 2 1 329.513 3.853 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662285730 1042659166 /nfs/dbraw/zinc/65/91/66/1042659166.db2.gz MPISKTIACHDFEF-SXLOBPIMSA-N 2 1 330.516 3.702 20 0 EHADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000663344316 1042730622 /nfs/dbraw/zinc/73/06/22/1042730622.db2.gz FQHYBKSITBQANS-AATLZSDMSA-N 2 1 342.527 3.714 20 0 EHADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000663344316 1042730627 /nfs/dbraw/zinc/73/06/27/1042730627.db2.gz FQHYBKSITBQANS-AATLZSDMSA-N 2 1 342.527 3.714 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000663347168 1042732781 /nfs/dbraw/zinc/73/27/81/1042732781.db2.gz ZYPMEQWVQDHWHU-KAGYGMCKSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347168 1042732788 /nfs/dbraw/zinc/73/27/88/1042732788.db2.gz ZYPMEQWVQDHWHU-KAGYGMCKSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347168 1042732794 /nfs/dbraw/zinc/73/27/94/1042732794.db2.gz ZYPMEQWVQDHWHU-KAGYGMCKSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347168 1042732800 /nfs/dbraw/zinc/73/28/00/1042732800.db2.gz ZYPMEQWVQDHWHU-KAGYGMCKSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347168 1042732806 /nfs/dbraw/zinc/73/28/06/1042732806.db2.gz ZYPMEQWVQDHWHU-KAGYGMCKSA-N 2 1 341.543 3.534 20 0 EHADMP FC(F)(F)c1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347504 1042738268 /nfs/dbraw/zinc/73/82/68/1042738268.db2.gz MMKMULNBCWDSJL-MRXNPFEDSA-N 2 1 326.406 3.917 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663465279 1042884163 /nfs/dbraw/zinc/88/41/63/1042884163.db2.gz JAIQNPBTCSSREH-FBRLZHCOSA-N 2 1 342.527 3.899 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000663465512 1042888730 /nfs/dbraw/zinc/88/87/30/1042888730.db2.gz UNVSNKBYGGNCSN-KGCWZRSHSA-N 2 1 342.527 3.713 20 0 EHADMP CC1(C)C[C@]1(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000663477464 1042910669 /nfs/dbraw/zinc/91/06/69/1042910669.db2.gz ROKKZWNXNFXCEJ-IRLDBZIGSA-N 2 1 342.527 3.587 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[N@H+](CC3CCCCC3)CC2)c1C ZINC000303203164 1042917089 /nfs/dbraw/zinc/91/70/89/1042917089.db2.gz OZMIRCTZVBSNAH-UHFFFAOYSA-N 2 1 345.531 3.795 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1C ZINC000303203164 1042917091 /nfs/dbraw/zinc/91/70/91/1042917091.db2.gz OZMIRCTZVBSNAH-UHFFFAOYSA-N 2 1 345.531 3.795 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccccc2OC)C1 ZINC001167827533 1042970814 /nfs/dbraw/zinc/97/08/14/1042970814.db2.gz XGHGHRJSQCPZDX-ROUUACIJSA-N 2 1 334.504 3.659 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001167827860 1042974692 /nfs/dbraw/zinc/97/46/92/1042974692.db2.gz YPYOVJKNOYENNU-NVXWUHKLSA-N 2 1 340.458 3.928 20 0 EHADMP C[C@@H]1C[N@@H+](CCCNCc2cccc(Cl)c2Cl)CCCO1 ZINC000432365539 1043002190 /nfs/dbraw/zinc/00/21/90/1043002190.db2.gz VBZABBLWVNCXHO-CYBMUJFWSA-N 2 1 331.287 3.584 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001167839759 1043061825 /nfs/dbraw/zinc/06/18/25/1043061825.db2.gz BQZMCZSSPVHOCV-PMACEKPBSA-N 2 1 331.548 3.703 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404083 1043097976 /nfs/dbraw/zinc/09/79/76/1043097976.db2.gz CUDPNONUSMIQQQ-MSOLQXFVSA-N 2 1 330.516 3.717 20 0 EHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000432409961 1043112429 /nfs/dbraw/zinc/11/24/29/1043112429.db2.gz KPWKPJYFGXXBAK-KBPBESRZSA-N 2 1 330.925 3.943 20 0 EHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000432409961 1043112433 /nfs/dbraw/zinc/11/24/33/1043112433.db2.gz KPWKPJYFGXXBAK-KBPBESRZSA-N 2 1 330.925 3.943 20 0 EHADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278982179 1043122909 /nfs/dbraw/zinc/12/29/09/1043122909.db2.gz PAHBUAAYGKJMLC-BBRMVZONSA-N 2 1 331.847 3.602 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CCCO1 ZINC000432414913 1043125932 /nfs/dbraw/zinc/12/59/32/1043125932.db2.gz AVIPNEWSAUSIPF-LSJNQWAISA-N 2 1 336.907 3.677 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CCCO1 ZINC000432414913 1043125939 /nfs/dbraw/zinc/12/59/39/1043125939.db2.gz AVIPNEWSAUSIPF-LSJNQWAISA-N 2 1 336.907 3.677 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC001167841689 1043128889 /nfs/dbraw/zinc/12/88/89/1043128889.db2.gz OZGFXUWLRDDFNZ-SJLPKXTDSA-N 2 1 348.531 3.786 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc2ccccc21 ZINC000432418716 1043142018 /nfs/dbraw/zinc/14/20/18/1043142018.db2.gz UWUBXIHOKKBMHU-MSOLQXFVSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc2ccccc21 ZINC000432418716 1043142021 /nfs/dbraw/zinc/14/20/21/1043142021.db2.gz UWUBXIHOKKBMHU-MSOLQXFVSA-N 2 1 326.484 3.991 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419057 1043145570 /nfs/dbraw/zinc/14/55/70/1043145570.db2.gz YOMZVRKHBMWMAV-UYAOXDASSA-N 2 1 330.516 3.771 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419329 1043153011 /nfs/dbraw/zinc/15/30/11/1043153011.db2.gz BCWKHILCWCIHAV-LSDHHAIUSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419329 1043153018 /nfs/dbraw/zinc/15/30/18/1043153018.db2.gz BCWKHILCWCIHAV-LSDHHAIUSA-N 2 1 344.421 3.857 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000344065327 1043199247 /nfs/dbraw/zinc/19/92/47/1043199247.db2.gz OVFOWZUMQIVWOC-KRWDZBQOSA-N 2 1 349.482 3.544 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000344080317 1043219021 /nfs/dbraw/zinc/21/90/21/1043219021.db2.gz UWNHOHBOIAZFRR-UXHICEINSA-N 2 1 332.532 3.990 20 0 EHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1 ZINC000279102661 1043359040 /nfs/dbraw/zinc/35/90/40/1043359040.db2.gz JKPKQLHRXLYKKR-UHFFFAOYSA-N 2 1 347.528 3.671 20 0 EHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000344194891 1043406740 /nfs/dbraw/zinc/40/67/40/1043406740.db2.gz CCAUZZMXLAPWBL-PKOBYXMFSA-N 2 1 343.515 3.587 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512150235 1043470538 /nfs/dbraw/zinc/47/05/38/1043470538.db2.gz VIVYWDVJLQGEHR-UNMCSNQZSA-N 2 1 343.559 3.876 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512150233 1043471471 /nfs/dbraw/zinc/47/14/71/1043471471.db2.gz VIVYWDVJLQGEHR-RBBKRZOGSA-N 2 1 343.559 3.876 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000344691189 1044299387 /nfs/dbraw/zinc/29/93/87/1044299387.db2.gz XLTZIMARXUFHQC-FUHWJXTLSA-N 2 1 334.504 3.692 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000344691189 1044299403 /nfs/dbraw/zinc/29/94/03/1044299403.db2.gz XLTZIMARXUFHQC-FUHWJXTLSA-N 2 1 334.504 3.692 20 0 EHADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512243282 1044362400 /nfs/dbraw/zinc/36/24/00/1044362400.db2.gz KDXXDTDOAMIAAR-FGZHOGPDSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243282 1044362415 /nfs/dbraw/zinc/36/24/15/1044362415.db2.gz KDXXDTDOAMIAAR-FGZHOGPDSA-N 2 1 342.527 3.526 20 0 EHADMP CC(C)CCOCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432672218 1044700625 /nfs/dbraw/zinc/70/06/25/1044700625.db2.gz SXFWKIPBLMSZSS-GOSISDBHSA-N 2 1 336.545 3.755 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192090884 1126775457 /nfs/dbraw/zinc/77/54/57/1126775457.db2.gz ZKQNHLCSAJFPGM-IAGOWNOFSA-N 2 1 328.859 3.631 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339072703 1126839136 /nfs/dbraw/zinc/83/91/36/1126839136.db2.gz WWYNQDQFJDVJMO-YVWKXTFCSA-N 2 1 327.472 3.585 20 0 EHADMP CC1(C)CC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC(C)(C)[NH2+]1 ZINC000072713399 1126865043 /nfs/dbraw/zinc/86/50/43/1126865043.db2.gz JTTQYNRDQDBLHO-UHFFFAOYSA-N 2 1 338.879 3.510 20 0 EHADMP CCCCCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000072726276 1126867607 /nfs/dbraw/zinc/86/76/07/1126867607.db2.gz OEXJTQREQFWUBE-UHFFFAOYSA-N 2 1 334.504 3.838 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000623085852 1126873627 /nfs/dbraw/zinc/87/36/27/1126873627.db2.gz IUKRMYJPCJRCBQ-UHFFFAOYSA-N 2 1 349.482 3.731 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000623086124 1126874372 /nfs/dbraw/zinc/87/43/72/1126874372.db2.gz YIVDWMJKFFDOJW-UHFFFAOYSA-N 2 1 332.860 3.529 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185423090 1126889777 /nfs/dbraw/zinc/88/97/77/1126889777.db2.gz HHFCFFSCYIVUSP-JOCHJYFZSA-N 2 1 347.462 3.638 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000623336980 1126918976 /nfs/dbraw/zinc/91/89/76/1126918976.db2.gz QFTOOCOCLIPKBU-WFASDCNBSA-N 2 1 325.294 3.973 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)CC1(C)C ZINC000623405463 1126948628 /nfs/dbraw/zinc/94/86/28/1126948628.db2.gz IOSVCNYIUPKFAV-BLLLJJGKSA-N 2 1 337.305 3.899 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(Br)c2)CC1(C)C ZINC000623411135 1126947326 /nfs/dbraw/zinc/94/73/26/1126947326.db2.gz ULAIDZKLRZULPV-MRXNPFEDSA-N 2 1 339.321 3.844 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1(C)C ZINC000623419180 1126950147 /nfs/dbraw/zinc/95/01/47/1126950147.db2.gz YGGBVHCMGZVYAG-UYAOXDASSA-N 2 1 330.516 3.933 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1(C)C ZINC000623419178 1126950247 /nfs/dbraw/zinc/95/02/47/1126950247.db2.gz YGGBVHCMGZVYAG-ICSRJNTNSA-N 2 1 330.516 3.933 20 0 EHADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC1CC1 ZINC000623490668 1126966704 /nfs/dbraw/zinc/96/67/04/1126966704.db2.gz RQGAQBFGYVUGFQ-MRXNPFEDSA-N 2 1 332.488 3.591 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515962 1126973317 /nfs/dbraw/zinc/97/33/17/1126973317.db2.gz XUEJOPPDXARWIQ-UXHICEINSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515962 1126973319 /nfs/dbraw/zinc/97/33/19/1126973319.db2.gz XUEJOPPDXARWIQ-UXHICEINSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515962 1126973321 /nfs/dbraw/zinc/97/33/21/1126973321.db2.gz XUEJOPPDXARWIQ-UXHICEINSA-N 3 1 343.559 3.750 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1(C)C ZINC000623524761 1126974906 /nfs/dbraw/zinc/97/49/06/1126974906.db2.gz HLZCDHVMVQTXBM-RYQLBKOJSA-N 2 1 338.442 3.727 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623533457 1126977095 /nfs/dbraw/zinc/97/70/95/1126977095.db2.gz AMXWYVFOORDYPB-HOCLYGCPSA-N 2 1 330.451 3.535 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000623533457 1126977097 /nfs/dbraw/zinc/97/70/97/1126977097.db2.gz AMXWYVFOORDYPB-HOCLYGCPSA-N 2 1 330.451 3.535 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623949440 1127218367 /nfs/dbraw/zinc/21/83/67/1127218367.db2.gz RSOHHCLCHBRJEG-QGZVFWFLSA-N 2 1 333.520 3.692 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623986856 1127225143 /nfs/dbraw/zinc/22/51/43/1127225143.db2.gz IZQOHJZIFWDUCA-CEWLAPEOSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123270 1127257215 /nfs/dbraw/zinc/25/72/15/1127257215.db2.gz IWEQHGJCGBDNET-FXAWDEMLSA-N 2 1 338.499 3.571 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123270 1127257217 /nfs/dbraw/zinc/25/72/17/1127257217.db2.gz IWEQHGJCGBDNET-FXAWDEMLSA-N 2 1 338.499 3.571 20 0 EHADMP Cc1c([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120563 1127255703 /nfs/dbraw/zinc/25/57/03/1127255703.db2.gz BRLAEMVWGUUUDP-NVXWUHKLSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120563 1127255704 /nfs/dbraw/zinc/25/57/04/1127255704.db2.gz BRLAEMVWGUUUDP-NVXWUHKLSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120563 1127255705 /nfs/dbraw/zinc/25/57/05/1127255705.db2.gz BRLAEMVWGUUUDP-NVXWUHKLSA-N 2 1 344.478 3.702 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181609164 1127285209 /nfs/dbraw/zinc/28/52/09/1127285209.db2.gz HPRNVWSKAZJRAQ-ZCNNSNEGSA-N 2 1 330.516 3.820 20 0 EHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000181705322 1127290716 /nfs/dbraw/zinc/29/07/16/1127290716.db2.gz XQZZSIJRKYKJJD-KRWDZBQOSA-N 2 1 343.515 3.673 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181857919 1127299626 /nfs/dbraw/zinc/29/96/26/1127299626.db2.gz YXWFEEOMKMXFJN-KRWDZBQOSA-N 2 1 326.488 3.923 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000921511112 1127354906 /nfs/dbraw/zinc/35/49/06/1127354906.db2.gz BWEUXRCAJPSLDD-UHFFFAOYSA-N 2 1 334.895 3.757 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000183237880 1127369161 /nfs/dbraw/zinc/36/91/61/1127369161.db2.gz JTNQBNMYEOLHPF-LJQANCHMSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323117 1127372213 /nfs/dbraw/zinc/37/22/13/1127372213.db2.gz GGFLRGHLNFUQBV-IUODEOHRSA-N 2 1 331.287 3.582 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@H]1CC[NH3+] ZINC000404419731 1127423575 /nfs/dbraw/zinc/42/35/75/1127423575.db2.gz HXMDZRVSGGNCFS-BBRMVZONSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@H]1CC[NH3+] ZINC000404419731 1127423578 /nfs/dbraw/zinc/42/35/78/1127423578.db2.gz HXMDZRVSGGNCFS-BBRMVZONSA-N 2 1 333.863 3.944 20 0 EHADMP COc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000386072645 1127625478 /nfs/dbraw/zinc/62/54/78/1127625478.db2.gz GHHVIEOJSOUIBM-CTNGQTDRSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000386072645 1127625482 /nfs/dbraw/zinc/62/54/82/1127625482.db2.gz GHHVIEOJSOUIBM-CTNGQTDRSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000386072645 1127625483 /nfs/dbraw/zinc/62/54/83/1127625483.db2.gz GHHVIEOJSOUIBM-CTNGQTDRSA-N 2 1 336.479 3.649 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C1 ZINC000921535746 1127681077 /nfs/dbraw/zinc/68/10/77/1127681077.db2.gz LRZOBGCWRAMROZ-KRWDZBQOSA-N 2 1 332.536 3.679 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000624308814 1127891503 /nfs/dbraw/zinc/89/15/03/1127891503.db2.gz YGPJOCIQXWYFBU-ULQDDVLXSA-N 2 1 326.406 3.754 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000765760077 1127907489 /nfs/dbraw/zinc/90/74/89/1127907489.db2.gz ZJKKPUUZFKKEDQ-HOTGVXAUSA-N 2 1 337.471 3.673 20 0 EHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCC(C)(C)CC3)c2)CC1 ZINC001649061227 1128087230 /nfs/dbraw/zinc/08/72/30/1128087230.db2.gz ZLMAMUJLDMXMJZ-OAQYLSRUSA-N 2 1 343.559 3.883 20 0 EHADMP C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166262269 1128094020 /nfs/dbraw/zinc/09/40/20/1128094020.db2.gz BVKHHGGXEMBQJU-BHIYHBOVSA-N 2 1 330.516 3.968 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+]CCC[N@H+]3CCCC[C@@H]3C)CCO2)cc1 ZINC001168591326 1128179592 /nfs/dbraw/zinc/17/95/92/1128179592.db2.gz USBNQUUBTQQJRS-DSKINZAPSA-N 2 1 346.515 3.769 20 0 EHADMP Clc1ccc2c(c1)[C@H](NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCCC2 ZINC000765793219 1128370319 /nfs/dbraw/zinc/37/03/19/1128370319.db2.gz WMKOXVLRZBLMNN-ZIFCJYIRSA-N 2 1 334.891 3.560 20 0 EHADMP C[C@H](CC[NH2+]Cc1cnn(C2CCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000921811927 1128781741 /nfs/dbraw/zinc/78/17/41/1128781741.db2.gz QVQSYPBGTRXODQ-QGZVFWFLSA-N 2 1 326.488 3.608 20 0 EHADMP C[C@H](CC[NH2+]Cc1cnn(C2CCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000921811927 1128781743 /nfs/dbraw/zinc/78/17/43/1128781743.db2.gz QVQSYPBGTRXODQ-QGZVFWFLSA-N 2 1 326.488 3.608 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2C(F)(F)F)CC1 ZINC000156488587 1128810301 /nfs/dbraw/zinc/81/03/01/1128810301.db2.gz CAEGWJHJQUTPIF-UHFFFAOYSA-N 2 1 330.394 3.678 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC001648792938 1120035234 /nfs/dbraw/zinc/03/52/34/1120035234.db2.gz XNNXQIGMTPEPAS-IFMALSPDSA-N 2 1 344.543 3.899 20 0 EHADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000185276215 1120407008 /nfs/dbraw/zinc/40/70/08/1120407008.db2.gz UINUQLRATYOYDB-QGZVFWFLSA-N 2 1 339.483 3.541 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCSCC1 ZINC000187155398 1120487981 /nfs/dbraw/zinc/48/79/81/1120487981.db2.gz JODQDOYIJITGAA-IEBWSBKVSA-N 2 1 332.557 3.672 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192056129 1120709416 /nfs/dbraw/zinc/70/94/16/1120709416.db2.gz ARHPTWOBGCBABO-QZTJIDSGSA-N 2 1 333.863 3.745 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640758 1120711433 /nfs/dbraw/zinc/71/14/33/1120711433.db2.gz BZZNZEFAYJEMOU-APWZRJJASA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(Cl)cc1 ZINC000494640758 1120711438 /nfs/dbraw/zinc/71/14/38/1120711438.db2.gz BZZNZEFAYJEMOU-APWZRJJASA-N 2 1 338.923 3.985 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2n1C1CC1 ZINC000338773681 1128945265 /nfs/dbraw/zinc/94/52/65/1128945265.db2.gz NIYMWKNVJBNHFT-WMZOPIPTSA-N 2 1 338.499 3.650 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000234252976 1121313116 /nfs/dbraw/zinc/31/31/16/1121313116.db2.gz ROEZLPJHQCPQLK-UHFFFAOYSA-N 2 1 333.701 3.780 20 0 EHADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311033879 1128977183 /nfs/dbraw/zinc/97/71/83/1128977183.db2.gz TXBNOUIDIVEWRH-NHCUHLMSSA-N 2 1 342.527 3.526 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842362 1121796793 /nfs/dbraw/zinc/79/67/93/1121796793.db2.gz OLUIIPIJACKWMB-ZDUSSCGKSA-N 2 1 325.294 3.614 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398061485 1121967852 /nfs/dbraw/zinc/96/78/52/1121967852.db2.gz WQSWZLVIEZOMSW-KMKNWIINSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398061485 1121967855 /nfs/dbraw/zinc/96/78/55/1121967855.db2.gz WQSWZLVIEZOMSW-KMKNWIINSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123310122 1122010568 /nfs/dbraw/zinc/01/05/68/1122010568.db2.gz RLKQKXHUGCYWBS-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123310122 1122010574 /nfs/dbraw/zinc/01/05/74/1122010574.db2.gz RLKQKXHUGCYWBS-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310122 1122010580 /nfs/dbraw/zinc/01/05/80/1122010580.db2.gz RLKQKXHUGCYWBS-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310122 1122010586 /nfs/dbraw/zinc/01/05/86/1122010586.db2.gz RLKQKXHUGCYWBS-TZMCWYRMSA-N 2 1 331.287 3.787 20 0 EHADMP CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000672623373 1129028425 /nfs/dbraw/zinc/02/84/25/1129028425.db2.gz SLDVHHHKULVNSS-BDTNDASRSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623373 1129028428 /nfs/dbraw/zinc/02/84/28/1129028428.db2.gz SLDVHHHKULVNSS-BDTNDASRSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623373 1129028431 /nfs/dbraw/zinc/02/84/31/1129028431.db2.gz SLDVHHHKULVNSS-BDTNDASRSA-N 2 1 343.559 3.704 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000128700266 1122650520 /nfs/dbraw/zinc/65/05/20/1122650520.db2.gz HJKSIRVGQTUOPB-ILWGZMRPSA-N 2 1 343.559 3.576 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000923864756 1122770716 /nfs/dbraw/zinc/77/07/16/1122770716.db2.gz IRGTYIZGZSDLCK-GOSISDBHSA-N 2 1 340.471 3.878 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061099 1122798825 /nfs/dbraw/zinc/79/88/25/1122798825.db2.gz SETXMGYDSSKPDE-KAGYGMCKSA-N 2 1 337.511 3.936 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061099 1122798828 /nfs/dbraw/zinc/79/88/28/1122798828.db2.gz SETXMGYDSSKPDE-KAGYGMCKSA-N 2 1 337.511 3.936 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234036 1122886834 /nfs/dbraw/zinc/88/68/34/1122886834.db2.gz UHBGFQWODPRQKT-IRLDBZIGSA-N 3 1 343.559 3.753 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234036 1122886838 /nfs/dbraw/zinc/88/68/38/1122886838.db2.gz UHBGFQWODPRQKT-IRLDBZIGSA-N 3 1 343.559 3.753 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000556241579 1122900232 /nfs/dbraw/zinc/90/02/32/1122900232.db2.gz NVISLCXTHAWMLT-HKBOAZHASA-N 2 1 330.516 3.600 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000556241579 1122900235 /nfs/dbraw/zinc/90/02/35/1122900235.db2.gz NVISLCXTHAWMLT-HKBOAZHASA-N 2 1 330.516 3.600 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113575 1123046052 /nfs/dbraw/zinc/04/60/52/1123046052.db2.gz JDHJCMUNKCTLQC-NWDGAFQWSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131237312 1123062865 /nfs/dbraw/zinc/06/28/65/1123062865.db2.gz KIPVSMBSHDBYLQ-KNXWPPODSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131237312 1123062868 /nfs/dbraw/zinc/06/28/68/1123062868.db2.gz KIPVSMBSHDBYLQ-KNXWPPODSA-N 2 1 338.536 3.597 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000556863226 1123152700 /nfs/dbraw/zinc/15/27/00/1123152700.db2.gz XMQOTIWDWYDIGL-PMPSAXMXSA-N 2 1 341.268 3.551 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)C2)cc1F ZINC000556875824 1123157303 /nfs/dbraw/zinc/15/73/03/1123157303.db2.gz KXGTXODKCMDITD-FYAJOAKPSA-N 2 1 332.463 3.543 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000556873686 1123162610 /nfs/dbraw/zinc/16/26/10/1123162610.db2.gz YGOWVHCPBOZDBO-LZBANZJXSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131957143 1123192703 /nfs/dbraw/zinc/19/27/03/1123192703.db2.gz YAHFFORYKWPFQW-TZIWHRDSSA-N 2 1 330.516 3.802 20 0 EHADMP CN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499154393 1123253713 /nfs/dbraw/zinc/25/37/13/1123253713.db2.gz DCLZDZXHDPETGG-MUSUJDOFSA-N 2 1 349.522 3.908 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000132922201 1123318085 /nfs/dbraw/zinc/31/80/85/1123318085.db2.gz MMVKEKZEJPZPAQ-ZHALLVOQSA-N 2 1 330.516 3.825 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000135122506 1123584298 /nfs/dbraw/zinc/58/42/98/1123584298.db2.gz MAYDUZLNNYZXDT-UHFFFAOYSA-N 2 1 332.488 3.558 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000135122506 1123584304 /nfs/dbraw/zinc/58/43/04/1123584304.db2.gz MAYDUZLNNYZXDT-UHFFFAOYSA-N 2 1 332.488 3.558 20 0 EHADMP CCCC[C@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245712759 1123934309 /nfs/dbraw/zinc/93/43/09/1123934309.db2.gz NLHVCMQGOLQYJX-MXEMCNAFSA-N 2 1 330.516 3.977 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245737329 1123940191 /nfs/dbraw/zinc/94/01/91/1123940191.db2.gz FUOVXQCDCSMERT-LEWJYISDSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245737329 1123940196 /nfs/dbraw/zinc/94/01/96/1123940196.db2.gz FUOVXQCDCSMERT-LEWJYISDSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245737329 1123940197 /nfs/dbraw/zinc/94/01/97/1123940197.db2.gz FUOVXQCDCSMERT-LEWJYISDSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246027827 1124002645 /nfs/dbraw/zinc/00/26/45/1124002645.db2.gz XKXYZSIZOPQVTB-COXVUDFISA-N 2 1 337.305 3.597 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379649440 1124084485 /nfs/dbraw/zinc/08/44/85/1124084485.db2.gz OURNMTLHTVKPBK-JRGCBEDISA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379649440 1124084489 /nfs/dbraw/zinc/08/44/89/1124084489.db2.gz OURNMTLHTVKPBK-JRGCBEDISA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569884 /nfs/dbraw/zinc/56/98/84/1124569884.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569893 /nfs/dbraw/zinc/56/98/93/1124569893.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569905 /nfs/dbraw/zinc/56/99/05/1124569905.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569916 /nfs/dbraw/zinc/56/99/16/1124569916.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569923 /nfs/dbraw/zinc/56/99/23/1124569923.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569931 /nfs/dbraw/zinc/56/99/31/1124569931.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569944 /nfs/dbraw/zinc/56/99/44/1124569944.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569954 /nfs/dbraw/zinc/56/99/54/1124569954.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939689 1124569962 /nfs/dbraw/zinc/56/99/62/1124569962.db2.gz HOMNUHQFZNXYKA-LMVRJCEZSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247231090 1124596921 /nfs/dbraw/zinc/59/69/21/1124596921.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247231090 1124596925 /nfs/dbraw/zinc/59/69/25/1124596925.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247231090 1124596933 /nfs/dbraw/zinc/59/69/33/1124596933.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247231090 1124596936 /nfs/dbraw/zinc/59/69/36/1124596936.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247231090 1124596941 /nfs/dbraw/zinc/59/69/41/1124596941.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247231090 1124596944 /nfs/dbraw/zinc/59/69/44/1124596944.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247231090 1124596947 /nfs/dbraw/zinc/59/69/47/1124596947.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)C1 ZINC000247231090 1124596950 /nfs/dbraw/zinc/59/69/50/1124596950.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)C1 ZINC000247231090 1124596954 /nfs/dbraw/zinc/59/69/54/1124596954.db2.gz YHPXBSVUWGTHMD-VQQMMKBISA-N 2 1 343.559 3.737 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)s1 ZINC000247923428 1124629197 /nfs/dbraw/zinc/62/91/97/1124629197.db2.gz BJYZQZBGZNKYPB-UONOGXRCSA-N 2 1 330.925 3.679 20 0 EHADMP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000248062535 1124637654 /nfs/dbraw/zinc/63/76/54/1124637654.db2.gz YSFQCOHISIKDMS-ZWKOTPCHSA-N 2 1 334.504 3.627 20 0 EHADMP COCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248395664 1124656185 /nfs/dbraw/zinc/65/61/85/1124656185.db2.gz GLLBLDCFRLMPGV-NJDAHSKKSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248458233 1124665059 /nfs/dbraw/zinc/66/50/59/1124665059.db2.gz UONHYPAYWJGBOT-PGRDOPGGSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249153094 1124742338 /nfs/dbraw/zinc/74/23/38/1124742338.db2.gz VNVDFDATWGHEIQ-BMQTXXJKSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000249281803 1124749670 /nfs/dbraw/zinc/74/96/70/1124749670.db2.gz NSOXBGGKEXVOMY-QKPAOTATSA-N 2 1 336.442 3.587 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091306002 1124974552 /nfs/dbraw/zinc/97/45/52/1124974552.db2.gz TZTKBZOIGBQTAW-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)oc1C ZINC000282150186 1125128345 /nfs/dbraw/zinc/12/83/45/1125128345.db2.gz LCWJSMJABXHJJY-SJORKVTESA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)oc1C ZINC000282150186 1125128350 /nfs/dbraw/zinc/12/83/50/1125128350.db2.gz LCWJSMJABXHJJY-SJORKVTESA-N 2 1 342.483 3.968 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000115611867 1129279301 /nfs/dbraw/zinc/27/93/01/1129279301.db2.gz ODZMXQZHBBZZBQ-OAHLLOKOSA-N 2 1 328.431 3.968 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000115611867 1129279304 /nfs/dbraw/zinc/27/93/04/1129279304.db2.gz ODZMXQZHBBZZBQ-OAHLLOKOSA-N 2 1 328.431 3.968 20 0 EHADMP Cc1cccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000765976350 1129358608 /nfs/dbraw/zinc/35/86/08/1129358608.db2.gz NOXWWMGFZLVFRY-FGZHOGPDSA-N 2 1 342.527 3.549 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000358956005 1129430411 /nfs/dbraw/zinc/43/04/11/1129430411.db2.gz RDDNNASLAXQLFR-QGZVFWFLSA-N 2 1 332.488 3.544 20 0 EHADMP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000543447678 1129494692 /nfs/dbraw/zinc/49/46/92/1129494692.db2.gz RJQQZTPYLOBJNA-QFIPXVFZSA-N 2 1 340.511 3.874 20 0 EHADMP Fc1ccccc1-c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)co1 ZINC000625084189 1129728256 /nfs/dbraw/zinc/72/82/56/1129728256.db2.gz XJOSWWMFMGFYAO-UHFFFAOYSA-N 2 1 343.446 3.789 20 0 EHADMP CCO[C@@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000625324962 1129832707 /nfs/dbraw/zinc/83/27/07/1129832707.db2.gz DITLOFIAXLVHCB-KJNZLNQQSA-N 2 1 330.516 3.548 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429237451 1130165393 /nfs/dbraw/zinc/16/53/93/1130165393.db2.gz WNMBXOQXTAGIAX-UHFFFAOYSA-N 2 1 330.354 3.503 20 0 EHADMP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000675492885 1130412768 /nfs/dbraw/zinc/41/27/68/1130412768.db2.gz JAGIXWVANYLZOM-ICSRJNTNSA-N 2 1 341.543 3.776 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000675685138 1130451035 /nfs/dbraw/zinc/45/10/35/1130451035.db2.gz YTMVCLIHDAYZSB-FQEVSTJZSA-N 2 1 341.499 3.554 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675752152 1130465038 /nfs/dbraw/zinc/46/50/38/1130465038.db2.gz LDSOOJXPOUQPKM-BPUTZDHNSA-N 2 1 342.405 3.905 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000675937541 1130507516 /nfs/dbraw/zinc/50/75/16/1130507516.db2.gz ZFOMUWGNWZDGNX-NGRWLJPCSA-N 2 1 343.559 3.607 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222338 1130547322 /nfs/dbraw/zinc/54/73/22/1130547322.db2.gz KVGABIZREVAZPW-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222338 1130547327 /nfs/dbraw/zinc/54/73/27/1130547327.db2.gz KVGABIZREVAZPW-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000676222338 1130547334 /nfs/dbraw/zinc/54/73/34/1130547334.db2.gz KVGABIZREVAZPW-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)CC[N@H+]1C ZINC000167472888 1130627092 /nfs/dbraw/zinc/62/70/92/1130627092.db2.gz BLVZDRCTSICLBC-CRAIPNDOSA-N 2 1 334.467 3.802 20 0 EHADMP CC(C)c1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000169232699 1130636729 /nfs/dbraw/zinc/63/67/29/1130636729.db2.gz LRHNLMDHDQPBCO-OAHLLOKOSA-N 2 1 331.460 3.589 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000732229554 1130903093 /nfs/dbraw/zinc/90/30/93/1130903093.db2.gz HVZJLKKVWOPNJD-OAQYLSRUSA-N 2 1 338.495 3.680 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000733794420 1131082692 /nfs/dbraw/zinc/08/26/92/1131082692.db2.gz DDLMKCYHNDUPNB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000733794420 1131082698 /nfs/dbraw/zinc/08/26/98/1131082698.db2.gz DDLMKCYHNDUPNB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000733794420 1131082703 /nfs/dbraw/zinc/08/27/03/1131082703.db2.gz DDLMKCYHNDUPNB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000733794420 1131082710 /nfs/dbraw/zinc/08/27/10/1131082710.db2.gz DDLMKCYHNDUPNB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172571105 1131776875 /nfs/dbraw/zinc/77/68/75/1131776875.db2.gz LTHJGKJPJIUMKZ-XWCIJXRUSA-N 2 1 330.850 3.869 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172571105 1131776880 /nfs/dbraw/zinc/77/68/80/1131776880.db2.gz LTHJGKJPJIUMKZ-XWCIJXRUSA-N 2 1 330.850 3.869 20 0 EHADMP CC1(C)CC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)O1 ZINC001172653247 1131800443 /nfs/dbraw/zinc/80/04/43/1131800443.db2.gz FZILSAIIKKTAMP-IYARVYRRSA-N 2 1 345.531 3.890 20 0 EHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@@H]1F ZINC001206174154 1131829240 /nfs/dbraw/zinc/82/92/40/1131829240.db2.gz LZDUADSOUZOIDD-ZWKOTPCHSA-N 2 1 332.394 3.879 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@@H]1F ZINC001206174154 1131829245 /nfs/dbraw/zinc/82/92/45/1131829245.db2.gz LZDUADSOUZOIDD-ZWKOTPCHSA-N 2 1 332.394 3.879 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001172925278 1131906192 /nfs/dbraw/zinc/90/61/92/1131906192.db2.gz DRDWLMMZBPNJIX-FIEVGXRPSA-N 2 1 348.490 3.521 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206185484 1131937385 /nfs/dbraw/zinc/93/73/85/1131937385.db2.gz NYYYWCJCCISNBK-UXHICEINSA-N 2 1 342.458 3.835 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206185484 1131937394 /nfs/dbraw/zinc/93/73/94/1131937394.db2.gz NYYYWCJCCISNBK-UXHICEINSA-N 2 1 342.458 3.835 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC001173113404 1131970083 /nfs/dbraw/zinc/97/00/83/1131970083.db2.gz PMMVUHYITWPGFU-UHFFFAOYSA-N 2 1 338.499 3.841 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001173113095 1131970781 /nfs/dbraw/zinc/97/07/81/1131970781.db2.gz IPRMARWLEWSJSY-DAWZGUTISA-N 2 1 338.536 3.836 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173111568 1131970919 /nfs/dbraw/zinc/97/09/19/1131970919.db2.gz HJIBMPNLCGFCNZ-NYLDSWQDSA-N 3 1 335.580 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173111568 1131970924 /nfs/dbraw/zinc/97/09/24/1131970924.db2.gz HJIBMPNLCGFCNZ-NYLDSWQDSA-N 2 1 335.580 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173111568 1131970927 /nfs/dbraw/zinc/97/09/27/1131970927.db2.gz HJIBMPNLCGFCNZ-NYLDSWQDSA-N 2 1 335.580 3.980 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174138 1131990620 /nfs/dbraw/zinc/99/06/20/1131990620.db2.gz IGWJJYCTLSCMRL-TYPHKJRUSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174138 1131990628 /nfs/dbraw/zinc/99/06/28/1131990628.db2.gz IGWJJYCTLSCMRL-TYPHKJRUSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001173174138 1131990633 /nfs/dbraw/zinc/99/06/33/1131990633.db2.gz IGWJJYCTLSCMRL-TYPHKJRUSA-N 2 1 328.500 3.542 20 0 EHADMP CCSC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294163 1132030399 /nfs/dbraw/zinc/03/03/99/1132030399.db2.gz FDBOZMBONHLNJT-KBAYOESNSA-N 2 1 336.545 3.909 20 0 EHADMP Fc1cc2c(cc1F)CC([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001173476414 1132074509 /nfs/dbraw/zinc/07/45/09/1132074509.db2.gz ZRGHIPCCLMTACB-INIZCTEOSA-N 2 1 342.433 3.544 20 0 EHADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173552396 1132093730 /nfs/dbraw/zinc/09/37/30/1132093730.db2.gz ZKOMXIJFJCXZTB-YUELXQCFSA-N 2 1 327.299 3.808 20 0 EHADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173552396 1132093738 /nfs/dbraw/zinc/09/37/38/1132093738.db2.gz ZKOMXIJFJCXZTB-YUELXQCFSA-N 2 1 327.299 3.808 20 0 EHADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001173552396 1132093745 /nfs/dbraw/zinc/09/37/45/1132093745.db2.gz ZKOMXIJFJCXZTB-YUELXQCFSA-N 2 1 327.299 3.808 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@@H]1F ZINC001206212820 1132126457 /nfs/dbraw/zinc/12/64/57/1132126457.db2.gz SDECJORSPDJGCE-IRXDYDNUSA-N 2 1 333.838 3.663 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390589799 1132515139 /nfs/dbraw/zinc/51/51/39/1132515139.db2.gz RVTLJZHDTNICMJ-QNXAMLQOSA-N 2 1 328.500 3.729 20 0 EHADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798002456 1132551089 /nfs/dbraw/zinc/55/10/89/1132551089.db2.gz HXWWVEMOFJURCR-ZJPYXAASSA-N 2 1 340.602 3.753 20 0 EHADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002456 1132551097 /nfs/dbraw/zinc/55/10/97/1132551097.db2.gz HXWWVEMOFJURCR-ZJPYXAASSA-N 2 1 340.602 3.753 20 0 EHADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205994694 1132595010 /nfs/dbraw/zinc/59/50/10/1132595010.db2.gz LWKPYOQGYQMNBA-UONOGXRCSA-N 2 1 325.294 3.564 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122614 1132663765 /nfs/dbraw/zinc/66/37/65/1132663765.db2.gz BTZWNWBWGDQJRM-AYDFFVQHSA-N 2 1 339.405 3.766 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122615 1132664562 /nfs/dbraw/zinc/66/45/62/1132664562.db2.gz BTZWNWBWGDQJRM-FQLMCAECSA-N 2 1 339.405 3.766 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3nc4ccccc4o3)CC1)C2 ZINC001169126338 1132664988 /nfs/dbraw/zinc/66/49/88/1132664988.db2.gz RWXUJGIBFXMASY-FVQHAEBGSA-N 2 1 325.456 3.632 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169155193 1132679786 /nfs/dbraw/zinc/67/97/86/1132679786.db2.gz ZNXWLQRIOZKKNL-VNTMZGSJSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169155193 1132679788 /nfs/dbraw/zinc/67/97/88/1132679788.db2.gz ZNXWLQRIOZKKNL-VNTMZGSJSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169155193 1132679793 /nfs/dbraw/zinc/67/97/93/1132679793.db2.gz ZNXWLQRIOZKKNL-VNTMZGSJSA-N 2 1 328.500 3.575 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001169230356 1132702726 /nfs/dbraw/zinc/70/27/26/1132702726.db2.gz YZJFDARPWTUDFH-OAHLLOKOSA-N 2 1 328.378 3.646 20 0 EHADMP CCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC001169239264 1132706765 /nfs/dbraw/zinc/70/67/65/1132706765.db2.gz VQOHZHVSMPEJEU-UHFFFAOYSA-N 2 1 349.950 3.626 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC001169251526 1132709409 /nfs/dbraw/zinc/70/94/09/1132709409.db2.gz XHYQQECIHMERIF-UHFFFAOYSA-N 2 1 331.435 3.631 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001169259046 1132710856 /nfs/dbraw/zinc/71/08/56/1132710856.db2.gz ZTIGBAILBNDIIO-LJQANCHMSA-N 2 1 336.907 3.805 20 0 EHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001169259046 1132710861 /nfs/dbraw/zinc/71/08/61/1132710861.db2.gz ZTIGBAILBNDIIO-LJQANCHMSA-N 2 1 336.907 3.805 20 0 EHADMP CCC[C@]1(CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001169881311 1132878872 /nfs/dbraw/zinc/87/88/72/1132878872.db2.gz QUNMGWFVWRKCIO-OAQYLSRUSA-N 2 1 330.516 3.800 20 0 EHADMP Cc1cccc(-n2ccn(C[N@H+](C)CC3CC[NH+](C)CC3)c2=S)c1 ZINC000103462237 1132900888 /nfs/dbraw/zinc/90/08/88/1132900888.db2.gz KBPZPVOAWBDXKZ-UHFFFAOYSA-N 2 1 344.528 3.548 20 0 EHADMP Cc1cccc(-n2ccn(C[N@@H+](C)CC3CC[NH+](C)CC3)c2=S)c1 ZINC000103462237 1132900890 /nfs/dbraw/zinc/90/08/90/1132900890.db2.gz KBPZPVOAWBDXKZ-UHFFFAOYSA-N 2 1 344.528 3.548 20 0 EHADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222712 1133042241 /nfs/dbraw/zinc/04/22/41/1133042241.db2.gz MOFCEEFJFNEHBN-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177222712 1133042247 /nfs/dbraw/zinc/04/22/47/1133042247.db2.gz MOFCEEFJFNEHBN-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP COc1cc2c(cc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC001177299584 1133048516 /nfs/dbraw/zinc/04/85/16/1133048516.db2.gz WQQCSEWQYRVPFN-DLBZAZTESA-N 2 1 346.515 3.763 20 0 EHADMP CC(C)[PH+](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1)C(C)C ZINC001177629630 1133088177 /nfs/dbraw/zinc/08/81/77/1133088177.db2.gz QDOWHFHKMFNRQJ-KRWDZBQOSA-N 2 1 338.432 3.659 20 0 EHADMP CC(C)[PH+](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1)C(C)C ZINC001177629630 1133088181 /nfs/dbraw/zinc/08/81/81/1133088181.db2.gz QDOWHFHKMFNRQJ-KRWDZBQOSA-N 2 1 338.432 3.659 20 0 EHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001177864501 1133108799 /nfs/dbraw/zinc/10/87/99/1133108799.db2.gz LWNAQOVETAYLHS-WSWWRLHASA-N 2 1 344.543 3.785 20 0 EHADMP C[C@H](CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCCCC1 ZINC001178463606 1133171078 /nfs/dbraw/zinc/17/10/78/1133171078.db2.gz RWBQDPYMZOSPQH-TZIWHRDSSA-N 2 1 343.559 3.894 20 0 EHADMP CC[N@H+](CCC[NH2+]Cc1ccc2oc(=O)oc2c1)C1CCCCC1 ZINC001179090924 1133227857 /nfs/dbraw/zinc/22/78/57/1133227857.db2.gz JVWKTBJWCSFBMY-UHFFFAOYSA-N 2 1 332.444 3.520 20 0 EHADMP CC[N@@H+](CCC[NH2+]Cc1ccc2oc(=O)oc2c1)C1CCCCC1 ZINC001179090924 1133227860 /nfs/dbraw/zinc/22/78/60/1133227860.db2.gz JVWKTBJWCSFBMY-UHFFFAOYSA-N 2 1 332.444 3.520 20 0 EHADMP CC(C)c1nc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c2ccccn21 ZINC001179173595 1133234641 /nfs/dbraw/zinc/23/46/41/1133234641.db2.gz TUCMEPQYSFNHFO-GOSISDBHSA-N 2 1 340.515 3.954 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c2ccccn21 ZINC001179173595 1133234649 /nfs/dbraw/zinc/23/46/49/1133234649.db2.gz TUCMEPQYSFNHFO-GOSISDBHSA-N 2 1 340.515 3.954 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@H]2CC[N@H+]2C2CCCCC2)c2ccccn21 ZINC001179173595 1133234655 /nfs/dbraw/zinc/23/46/55/1133234655.db2.gz TUCMEPQYSFNHFO-GOSISDBHSA-N 2 1 340.515 3.954 20 0 EHADMP COc1cccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc21 ZINC000770374987 1133415038 /nfs/dbraw/zinc/41/50/38/1133415038.db2.gz PMWZHVRMJCNLHA-LPHOPBHVSA-N 2 1 340.467 3.890 20 0 EHADMP COc1cccc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc21 ZINC000770374987 1133415043 /nfs/dbraw/zinc/41/50/43/1133415043.db2.gz PMWZHVRMJCNLHA-LPHOPBHVSA-N 2 1 340.467 3.890 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)oc21 ZINC000770374987 1133415047 /nfs/dbraw/zinc/41/50/47/1133415047.db2.gz PMWZHVRMJCNLHA-LPHOPBHVSA-N 2 1 340.467 3.890 20 0 EHADMP COc1cccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)oc21 ZINC000770374987 1133415050 /nfs/dbraw/zinc/41/50/50/1133415050.db2.gz PMWZHVRMJCNLHA-LPHOPBHVSA-N 2 1 340.467 3.890 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001181514254 1133495919 /nfs/dbraw/zinc/49/59/19/1133495919.db2.gz CFQMNUXIMJLHBU-MRXNPFEDSA-N 2 1 327.472 3.681 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001181514254 1133495924 /nfs/dbraw/zinc/49/59/24/1133495924.db2.gz CFQMNUXIMJLHBU-MRXNPFEDSA-N 2 1 327.472 3.681 20 0 EHADMP C[C@]1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697165 1133518882 /nfs/dbraw/zinc/51/88/82/1133518882.db2.gz GLWDHDKERKIBHB-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@]1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697165 1133518887 /nfs/dbraw/zinc/51/88/87/1133518887.db2.gz GLWDHDKERKIBHB-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@]1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697165 1133518889 /nfs/dbraw/zinc/51/88/89/1133518889.db2.gz GLWDHDKERKIBHB-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000774135153 1133621755 /nfs/dbraw/zinc/62/17/55/1133621755.db2.gz SPPOHGMAZKAEMB-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CCC(C)C ZINC001182424406 1133654309 /nfs/dbraw/zinc/65/43/09/1133654309.db2.gz TXBGYYWUKUSMNW-CEWLAPEOSA-N 2 1 332.532 3.938 20 0 EHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CCC(C)C ZINC001182424406 1133654312 /nfs/dbraw/zinc/65/43/12/1133654312.db2.gz TXBGYYWUKUSMNW-CEWLAPEOSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000774302934 1133655283 /nfs/dbraw/zinc/65/52/83/1133655283.db2.gz MJOZOBDRXSYDTB-BRIRTLKKSA-N 2 1 327.516 3.956 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000774302934 1133655286 /nfs/dbraw/zinc/65/52/86/1133655286.db2.gz MJOZOBDRXSYDTB-BRIRTLKKSA-N 2 1 327.516 3.956 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000774302934 1133655288 /nfs/dbraw/zinc/65/52/88/1133655288.db2.gz MJOZOBDRXSYDTB-BRIRTLKKSA-N 2 1 327.516 3.956 20 0 EHADMP CCN(c1ccccc1)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC001203270266 1133894006 /nfs/dbraw/zinc/89/40/06/1133894006.db2.gz IBGNNJPVXCOUQV-UHFFFAOYSA-N 2 1 334.467 3.910 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303977 1133974775 /nfs/dbraw/zinc/97/47/75/1133974775.db2.gz MBTMKIFYDPGLHB-JQWIXIFHSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303977 1133974782 /nfs/dbraw/zinc/97/47/82/1133974782.db2.gz MBTMKIFYDPGLHB-JQWIXIFHSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134907 1134410542 /nfs/dbraw/zinc/41/05/42/1134410542.db2.gz DUSQKDHKQYTTAA-HLRQEUIKSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134907 1134410547 /nfs/dbraw/zinc/41/05/47/1134410547.db2.gz DUSQKDHKQYTTAA-HLRQEUIKSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)C1 ZINC001170134907 1134410551 /nfs/dbraw/zinc/41/05/51/1134410551.db2.gz DUSQKDHKQYTTAA-HLRQEUIKSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001170140234 1134433675 /nfs/dbraw/zinc/43/36/75/1134433675.db2.gz WUSJUPBIWKIGSG-KURKYZTESA-N 2 1 332.488 3.524 20 0 EHADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194246 1134710480 /nfs/dbraw/zinc/71/04/80/1134710480.db2.gz NMFSLVXXEJKOND-VJANTYMQSA-N 2 1 334.479 3.855 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001190627808 1134728956 /nfs/dbraw/zinc/72/89/56/1134728956.db2.gz NLWSKLDEKIPQCT-HXUWFJFHSA-N 2 1 340.511 3.720 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001190627808 1134728960 /nfs/dbraw/zinc/72/89/60/1134728960.db2.gz NLWSKLDEKIPQCT-HXUWFJFHSA-N 2 1 340.511 3.720 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170426431 1134851137 /nfs/dbraw/zinc/85/11/37/1134851137.db2.gz RYFUOHQBHHOIBS-LNLFQRSKSA-N 2 1 344.499 3.861 20 0 EHADMP CC1(C)CCc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2O1 ZINC000793336254 1134907091 /nfs/dbraw/zinc/90/70/91/1134907091.db2.gz MRBWXHWZJCNFPW-UHFFFAOYSA-N 2 1 328.500 3.897 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000793522888 1134946184 /nfs/dbraw/zinc/94/61/84/1134946184.db2.gz GOENDIRQDNOTQJ-ZWKOTPCHSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n(C)n1 ZINC000793522905 1134946444 /nfs/dbraw/zinc/94/64/44/1134946444.db2.gz GSVCBTNMGLPLST-FUHWJXTLSA-N 2 1 340.515 3.811 20 0 EHADMP COc1c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001205591460 1135000357 /nfs/dbraw/zinc/00/03/57/1135000357.db2.gz NFOQWYSWPCHPKA-HNNXBMFYSA-N 2 1 335.250 3.655 20 0 EHADMP COc1c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001205591460 1135000363 /nfs/dbraw/zinc/00/03/63/1135000363.db2.gz NFOQWYSWPCHPKA-HNNXBMFYSA-N 2 1 335.250 3.655 20 0 EHADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1 ZINC001194268397 1135253346 /nfs/dbraw/zinc/25/33/46/1135253346.db2.gz HFPBRRSJAUYUDS-UNMCSNQZSA-N 2 1 342.527 3.790 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)OC1 ZINC001194268397 1135253350 /nfs/dbraw/zinc/25/33/50/1135253350.db2.gz HFPBRRSJAUYUDS-UNMCSNQZSA-N 2 1 342.527 3.790 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)OC1 ZINC001194268397 1135253354 /nfs/dbraw/zinc/25/33/54/1135253354.db2.gz HFPBRRSJAUYUDS-UNMCSNQZSA-N 2 1 342.527 3.790 20 0 EHADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195535643 1135437650 /nfs/dbraw/zinc/43/76/50/1135437650.db2.gz LIWUOURFWJKRAN-IBGZPJMESA-N 2 1 327.859 3.935 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CCO ZINC001195938731 1135487077 /nfs/dbraw/zinc/48/70/77/1135487077.db2.gz SMMDYWRPFDVHSK-RXVVDRJESA-N 2 1 330.516 3.655 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000809754636 1135886582 /nfs/dbraw/zinc/88/65/82/1135886582.db2.gz LGYQTYRUWRUKPS-GRDNDAEWSA-N 2 1 343.298 3.633 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000809766095 1135888685 /nfs/dbraw/zinc/88/86/85/1135888685.db2.gz URCWMHPUGJPNLJ-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000809766095 1135888688 /nfs/dbraw/zinc/88/86/88/1135888688.db2.gz URCWMHPUGJPNLJ-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766095 1135888692 /nfs/dbraw/zinc/88/86/92/1135888692.db2.gz URCWMHPUGJPNLJ-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766095 1135888695 /nfs/dbraw/zinc/88/86/95/1135888695.db2.gz URCWMHPUGJPNLJ-XJKSGUPXSA-N 2 1 325.294 3.530 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001199907834 1135935914 /nfs/dbraw/zinc/93/59/14/1135935914.db2.gz ZUDNFZRNPOBBST-HNNXBMFYSA-N 2 1 348.437 3.974 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201417784 1136018125 /nfs/dbraw/zinc/01/81/25/1136018125.db2.gz WSYTVDXOISVHFQ-YUVXSKOASA-N 2 1 339.527 3.970 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201417784 1136018128 /nfs/dbraw/zinc/01/81/28/1136018128.db2.gz WSYTVDXOISVHFQ-YUVXSKOASA-N 2 1 339.527 3.970 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201417784 1136018131 /nfs/dbraw/zinc/01/81/31/1136018131.db2.gz WSYTVDXOISVHFQ-YUVXSKOASA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201417784 1136018133 /nfs/dbraw/zinc/01/81/33/1136018133.db2.gz WSYTVDXOISVHFQ-YUVXSKOASA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201417784 1136018136 /nfs/dbraw/zinc/01/81/36/1136018136.db2.gz WSYTVDXOISVHFQ-YUVXSKOASA-N 2 1 339.527 3.970 20 0 EHADMP CCCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201747227 1136058228 /nfs/dbraw/zinc/05/82/28/1136058228.db2.gz XTXJFNFLNHOYDE-UHFFFAOYSA-N 2 1 336.545 3.995 20 0 EHADMP CCCOc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1OC ZINC001201963704 1136079007 /nfs/dbraw/zinc/07/90/07/1136079007.db2.gz UFGWVQNCQCTJAZ-KRWDZBQOSA-N 2 1 334.504 3.838 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239370 1136520978 /nfs/dbraw/zinc/52/09/78/1136520978.db2.gz GKFLMNGNEXENPD-IEBWSBKVSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239370 1136520980 /nfs/dbraw/zinc/52/09/80/1136520980.db2.gz GKFLMNGNEXENPD-IEBWSBKVSA-N 2 1 338.499 3.645 20 0 EHADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559523 1136794876 /nfs/dbraw/zinc/79/48/76/1136794876.db2.gz PLRCESRQHNXABE-YLJYHZDGSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559523 1136794879 /nfs/dbraw/zinc/79/48/79/1136794879.db2.gz PLRCESRQHNXABE-YLJYHZDGSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559523 1136794882 /nfs/dbraw/zinc/79/48/82/1136794882.db2.gz PLRCESRQHNXABE-YLJYHZDGSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559518 1136794955 /nfs/dbraw/zinc/79/49/55/1136794955.db2.gz PLRCESRQHNXABE-FXAWDEMLSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559518 1136794958 /nfs/dbraw/zinc/79/49/58/1136794958.db2.gz PLRCESRQHNXABE-FXAWDEMLSA-N 2 1 333.520 3.811 20 0 EHADMP CCC[C@H](C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559518 1136794960 /nfs/dbraw/zinc/79/49/60/1136794960.db2.gz PLRCESRQHNXABE-FXAWDEMLSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000817948586 1136850563 /nfs/dbraw/zinc/85/05/63/1136850563.db2.gz BVKARNSAUMKICA-NYLDSWQDSA-N 2 1 330.516 3.672 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000819101660 1136908920 /nfs/dbraw/zinc/90/89/20/1136908920.db2.gz XBHNSHAGWQUCJN-HQRMLTQVSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000819101660 1136908923 /nfs/dbraw/zinc/90/89/23/1136908923.db2.gz XBHNSHAGWQUCJN-HQRMLTQVSA-N 2 1 344.524 3.763 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2)C1 ZINC000857846540 1136911925 /nfs/dbraw/zinc/91/19/25/1136911925.db2.gz COLQKLUADJIQKX-UZLBHIALSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846540 1136911933 /nfs/dbraw/zinc/91/19/33/1136911933.db2.gz COLQKLUADJIQKX-UZLBHIALSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846540 1136911937 /nfs/dbraw/zinc/91/19/37/1136911937.db2.gz COLQKLUADJIQKX-UZLBHIALSA-N 2 1 338.499 3.809 20 0 EHADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2cccc3ccccc32)[nH+]c1 ZINC000819131057 1136917744 /nfs/dbraw/zinc/91/77/44/1136917744.db2.gz YZYGXRCRTLTIGG-FQEVSTJZSA-N 2 1 335.451 3.668 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189250 1136921694 /nfs/dbraw/zinc/92/16/94/1136921694.db2.gz FWPLWJNDQIDMOW-CBQOVEMMSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@H](O)CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170938416 1136961394 /nfs/dbraw/zinc/96/13/94/1136961394.db2.gz IZNRMXSSPHCIQJ-SIKLNZKXSA-N 2 1 344.543 3.914 20 0 EHADMP C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C[NH+](C)C)c1 ZINC000820825330 1137005179 /nfs/dbraw/zinc/00/51/79/1137005179.db2.gz ZXIYWZQJUGAWAP-INIZCTEOSA-N 2 1 326.488 3.911 20 0 EHADMP COCC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213071 1137007827 /nfs/dbraw/zinc/00/78/27/1137007827.db2.gz TWZFOVSFTWOVEA-NRFANRHFSA-N 2 1 326.484 3.958 20 0 EHADMP CC[N@@H+](CC[C@@H](O)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997712 1137040162 /nfs/dbraw/zinc/04/01/62/1137040162.db2.gz PWQBUZGBXNNKPP-OAQYLSRUSA-N 2 1 326.484 3.694 20 0 EHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850409 1137116220 /nfs/dbraw/zinc/11/62/20/1137116220.db2.gz BTDRAZDFAPGFIP-LPHOPBHVSA-N 2 1 342.483 3.597 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1 ZINC000824023255 1137123234 /nfs/dbraw/zinc/12/32/34/1137123234.db2.gz NAIBAVNSZHMNGW-AWEZNQCLSA-N 2 1 335.455 3.642 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000429551053 1137165190 /nfs/dbraw/zinc/16/51/90/1137165190.db2.gz UFXLHGDXPDVAQL-MRXNPFEDSA-N 2 1 344.421 3.890 20 0 EHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137024351 1137174495 /nfs/dbraw/zinc/17/44/95/1137174495.db2.gz VPWWRPPQVAPZTJ-GOTSBHOMSA-N 2 1 348.490 3.589 20 0 EHADMP Cc1c(O)cccc1CN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001144120980 1137240774 /nfs/dbraw/zinc/24/07/74/1137240774.db2.gz DNFHUGRNJQPUIS-UHFFFAOYSA-N 2 1 342.458 3.936 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccnc1Br ZINC000865415435 1137281421 /nfs/dbraw/zinc/28/14/21/1137281421.db2.gz MYRAMEVFDCRRAJ-AWEZNQCLSA-N 2 1 340.309 3.588 20 0 EHADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865697670 1137305088 /nfs/dbraw/zinc/30/50/88/1137305088.db2.gz BEAURVIMHJYFKK-CEXWTWQISA-N 2 1 325.500 3.716 20 0 EHADMP c1[nH+]c(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)c2ccccn12 ZINC001144626106 1137318243 /nfs/dbraw/zinc/31/82/43/1137318243.db2.gz YQAMUCBMVQHURX-JOCHJYFZSA-N 2 1 346.478 3.575 20 0 EHADMP c1[nH+]c(CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)c2ccccn12 ZINC001144626106 1137318245 /nfs/dbraw/zinc/31/82/45/1137318245.db2.gz YQAMUCBMVQHURX-JOCHJYFZSA-N 2 1 346.478 3.575 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000866237249 1137337584 /nfs/dbraw/zinc/33/75/84/1137337584.db2.gz GYUBBJACGMNHDD-NRFANRHFSA-N 2 1 334.467 3.940 20 0 EHADMP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000866399286 1137351880 /nfs/dbraw/zinc/35/18/80/1137351880.db2.gz REPVSAJOPRZOSJ-MSOLQXFVSA-N 2 1 325.500 3.877 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866413793 1137352633 /nfs/dbraw/zinc/35/26/33/1137352633.db2.gz WPAUEESXPVOBTP-JQVVWYNYSA-N 2 1 337.511 3.760 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866528352 1137361428 /nfs/dbraw/zinc/36/14/28/1137361428.db2.gz XKXLCXTWLFCZNF-NRSPTQNISA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866538064 1137363018 /nfs/dbraw/zinc/36/30/18/1137363018.db2.gz NGQFBUPFJQYFRY-XGARDCMYSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246800265 1137387074 /nfs/dbraw/zinc/38/70/74/1137387074.db2.gz WLNRTSKXEDRHTE-CQSZACIVSA-N 2 1 339.321 3.702 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1F ZINC000773029516 1137460537 /nfs/dbraw/zinc/46/05/37/1137460537.db2.gz JUEITHJHFYDLCF-WMZOPIPTSA-N 2 1 340.458 3.629 20 0 EHADMP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171519289 1137495930 /nfs/dbraw/zinc/49/59/30/1137495930.db2.gz DPSSTWNWUNZXSW-CQSZACIVSA-N 2 1 338.417 3.555 20 0 EHADMP Cc1ccc(CC[C@@H](C)[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001171679252 1137503858 /nfs/dbraw/zinc/50/38/58/1137503858.db2.gz JWTZQRPEBSZJNA-LJQANCHMSA-N 2 1 344.543 3.891 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1(C)C ZINC001171635359 1137504291 /nfs/dbraw/zinc/50/42/91/1137504291.db2.gz WUSWZCFOMFKVSU-UHFFFAOYSA-N 2 1 347.591 3.978 20 0 EHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC001171640359 1137504694 /nfs/dbraw/zinc/50/46/94/1137504694.db2.gz FATMNWPGXHBMDU-UHFFFAOYSA-N 2 1 333.495 3.599 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638172 1137504717 /nfs/dbraw/zinc/50/47/17/1137504717.db2.gz VGMNHCDRYLPBDD-GOSISDBHSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638172 1137504719 /nfs/dbraw/zinc/50/47/19/1137504719.db2.gz VGMNHCDRYLPBDD-GOSISDBHSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638172 1137504721 /nfs/dbraw/zinc/50/47/21/1137504721.db2.gz VGMNHCDRYLPBDD-GOSISDBHSA-N 2 1 343.559 3.844 20 0 EHADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641694 1137504814 /nfs/dbraw/zinc/50/48/14/1137504814.db2.gz TZFZUURQXDLHCU-UHFFFAOYSA-N 2 1 332.488 3.889 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171776312 1137509977 /nfs/dbraw/zinc/50/99/77/1137509977.db2.gz TYFXOLLRNAEUNI-UXPWSPDFSA-N 2 1 338.470 3.936 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001171776312 1137509978 /nfs/dbraw/zinc/50/99/78/1137509978.db2.gz TYFXOLLRNAEUNI-UXPWSPDFSA-N 2 1 338.470 3.936 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171737092 1137510646 /nfs/dbraw/zinc/51/06/46/1137510646.db2.gz ATMZAYZRKDZKDK-YSIASYRMSA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171737092 1137510647 /nfs/dbraw/zinc/51/06/47/1137510647.db2.gz ATMZAYZRKDZKDK-YSIASYRMSA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171737092 1137510649 /nfs/dbraw/zinc/51/06/49/1137510649.db2.gz ATMZAYZRKDZKDK-YSIASYRMSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171739588 1137511035 /nfs/dbraw/zinc/51/10/35/1137511035.db2.gz QFXLGJQVXWPFKY-NYVOZVTQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739588 1137511037 /nfs/dbraw/zinc/51/10/37/1137511037.db2.gz QFXLGJQVXWPFKY-NYVOZVTQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171739588 1137511039 /nfs/dbraw/zinc/51/10/39/1137511039.db2.gz QFXLGJQVXWPFKY-NYVOZVTQSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001171973180 1137524074 /nfs/dbraw/zinc/52/40/74/1137524074.db2.gz GPWHAURXZJAZEJ-CQSZACIVSA-N 2 1 328.422 3.910 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171972568 1137524121 /nfs/dbraw/zinc/52/41/21/1137524121.db2.gz RFRZRJOBSUUFOA-SOAGJPPSSA-N 2 1 329.532 3.631 20 0 EHADMP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171972568 1137524123 /nfs/dbraw/zinc/52/41/23/1137524123.db2.gz RFRZRJOBSUUFOA-SOAGJPPSSA-N 3 1 329.532 3.631 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171972568 1137524124 /nfs/dbraw/zinc/52/41/24/1137524124.db2.gz RFRZRJOBSUUFOA-SOAGJPPSSA-N 3 1 329.532 3.631 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972568 1137524126 /nfs/dbraw/zinc/52/41/26/1137524126.db2.gz RFRZRJOBSUUFOA-SOAGJPPSSA-N 3 1 329.532 3.631 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972568 1137524128 /nfs/dbraw/zinc/52/41/28/1137524128.db2.gz RFRZRJOBSUUFOA-SOAGJPPSSA-N 3 1 329.532 3.631 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072957 1137529931 /nfs/dbraw/zinc/52/99/31/1137529931.db2.gz OAWUQVDMBJZWEV-WKCHPHFGSA-N 2 1 343.559 3.750 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072957 1137529932 /nfs/dbraw/zinc/52/99/32/1137529932.db2.gz OAWUQVDMBJZWEV-WKCHPHFGSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072957 1137529934 /nfs/dbraw/zinc/52/99/34/1137529934.db2.gz OAWUQVDMBJZWEV-WKCHPHFGSA-N 3 1 343.559 3.750 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC4(C2)CCOCC4)C3)cc1 ZINC001172075997 1137530732 /nfs/dbraw/zinc/53/07/32/1137530732.db2.gz ZKWRWADZUDJZFZ-AERCQKQUSA-N 2 1 340.511 3.685 20 0 EHADMP CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081444 1137531719 /nfs/dbraw/zinc/53/17/19/1137531719.db2.gz FPQSEXMUWQJIKX-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP CCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081444 1137531721 /nfs/dbraw/zinc/53/17/21/1137531721.db2.gz FPQSEXMUWQJIKX-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001172098158 1137532446 /nfs/dbraw/zinc/53/24/46/1137532446.db2.gz AVHYQFQIRFSFGD-MUJYYYPQSA-N 2 1 341.268 3.693 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2cccnc2)C3)cc1 ZINC001172064460 1137532870 /nfs/dbraw/zinc/53/28/70/1137532870.db2.gz GJHZGONALUCMCS-DKUWSORSSA-N 2 1 335.495 3.799 20 0 EHADMP CC[NH+](CC)CCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067821 1137534211 /nfs/dbraw/zinc/53/42/11/1137534211.db2.gz OCWLTUHCNBCUEG-KOUNCHBCSA-N 2 1 343.559 3.894 20 0 EHADMP COC[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068790 1137534238 /nfs/dbraw/zinc/53/42/38/1137534238.db2.gz KRXPXKVZCACTCD-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068790 1137534239 /nfs/dbraw/zinc/53/42/39/1137534239.db2.gz KRXPXKVZCACTCD-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068790 1137534241 /nfs/dbraw/zinc/53/42/41/1137534241.db2.gz KRXPXKVZCACTCD-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068790 1137534243 /nfs/dbraw/zinc/53/42/43/1137534243.db2.gz KRXPXKVZCACTCD-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068430 1137534397 /nfs/dbraw/zinc/53/43/97/1137534397.db2.gz ICMKTMVIZSTYEJ-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068430 1137534399 /nfs/dbraw/zinc/53/43/99/1137534399.db2.gz ICMKTMVIZSTYEJ-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068430 1137534400 /nfs/dbraw/zinc/53/44/00/1137534400.db2.gz ICMKTMVIZSTYEJ-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068430 1137534401 /nfs/dbraw/zinc/53/44/01/1137534401.db2.gz ICMKTMVIZSTYEJ-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[N@@H+](CC1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068090 1137534517 /nfs/dbraw/zinc/53/45/17/1137534517.db2.gz HGFLBFRDRWNYOS-ZBYYUNFXSA-N 2 1 342.527 3.931 20 0 EHADMP C[NH+](CC1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068090 1137534519 /nfs/dbraw/zinc/53/45/19/1137534519.db2.gz HGFLBFRDRWNYOS-ZBYYUNFXSA-N 2 1 342.527 3.931 20 0 EHADMP C[NH+](CC1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068090 1137534521 /nfs/dbraw/zinc/53/45/21/1137534521.db2.gz HGFLBFRDRWNYOS-ZBYYUNFXSA-N 2 1 342.527 3.931 20 0 EHADMP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC001172131980 1137535406 /nfs/dbraw/zinc/53/54/06/1137535406.db2.gz ZXSIJLGZDMEVPZ-KOUNCHBCSA-N 3 1 347.591 3.836 20 0 EHADMP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001172131980 1137535407 /nfs/dbraw/zinc/53/54/07/1137535407.db2.gz ZXSIJLGZDMEVPZ-KOUNCHBCSA-N 3 1 347.591 3.836 20 0 EHADMP COc1ccccc1CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172110242 1137537224 /nfs/dbraw/zinc/53/72/24/1137537224.db2.gz JCUQUHANCSCMPY-LDLYASANSA-N 2 1 328.500 3.623 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001172110965 1137537276 /nfs/dbraw/zinc/53/72/76/1137537276.db2.gz MSDMXYCSPJNEPD-REPLKXPHSA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001172110965 1137537278 /nfs/dbraw/zinc/53/72/78/1137537278.db2.gz MSDMXYCSPJNEPD-REPLKXPHSA-N 2 1 346.490 3.522 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC001172118184 1137538156 /nfs/dbraw/zinc/53/81/56/1137538156.db2.gz PDUCYOBYPDDLDX-PHZGNYQRSA-N 2 1 337.305 3.862 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001172121596 1137538953 /nfs/dbraw/zinc/53/89/53/1137538953.db2.gz KYIDFJGPWLJLIA-REPLKXPHSA-N 2 1 346.490 3.822 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001172121596 1137538954 /nfs/dbraw/zinc/53/89/54/1137538954.db2.gz KYIDFJGPWLJLIA-REPLKXPHSA-N 2 1 346.490 3.822 20 0 EHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000872021085 1137565183 /nfs/dbraw/zinc/56/51/83/1137565183.db2.gz OAAMYARXHHYFIC-WOJBJXKFSA-N 2 1 330.516 3.618 20 0 EHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000872021085 1137565184 /nfs/dbraw/zinc/56/51/84/1137565184.db2.gz OAAMYARXHHYFIC-WOJBJXKFSA-N 2 1 330.516 3.618 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000872029506 1137566236 /nfs/dbraw/zinc/56/62/36/1137566236.db2.gz QWKBUOIHQMEKGS-LNLFQRSKSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCOC1 ZINC000872029506 1137566237 /nfs/dbraw/zinc/56/62/37/1137566237.db2.gz QWKBUOIHQMEKGS-LNLFQRSKSA-N 2 1 336.545 3.755 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872032476 1137566564 /nfs/dbraw/zinc/56/65/64/1137566564.db2.gz UXCGYBSHKQTXPR-JXFKEZNVSA-N 2 1 347.478 3.593 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCCOC1 ZINC000872040248 1137567012 /nfs/dbraw/zinc/56/70/12/1137567012.db2.gz WUCTZMACPUWBCU-LSTDLKDCSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCCOC1 ZINC000872040248 1137567013 /nfs/dbraw/zinc/56/70/13/1137567013.db2.gz WUCTZMACPUWBCU-LSTDLKDCSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000872040531 1137567113 /nfs/dbraw/zinc/56/71/13/1137567113.db2.gz MDERPVNFOHGLKI-BVOGOJNSSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000872040531 1137567114 /nfs/dbraw/zinc/56/71/14/1137567114.db2.gz MDERPVNFOHGLKI-BVOGOJNSSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872114703 1137571983 /nfs/dbraw/zinc/57/19/83/1137571983.db2.gz ASOQJZDHYXLIQT-LBPRGKRZSA-N 2 1 339.892 3.588 20 0 EHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872122373 1137572747 /nfs/dbraw/zinc/57/27/47/1137572747.db2.gz FEMCVACXMMPIOY-KBXCAEBGSA-N 2 1 343.471 3.666 20 0 EHADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872155677 1137573949 /nfs/dbraw/zinc/57/39/49/1137573949.db2.gz YJDUUMFBEKVXCK-GFCCVEGCSA-N 2 1 346.302 3.771 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151346 1137574095 /nfs/dbraw/zinc/57/40/95/1137574095.db2.gz VHVQXUGSANXNKR-XWIASGKRSA-N 2 1 340.311 3.835 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151346 1137574096 /nfs/dbraw/zinc/57/40/96/1137574096.db2.gz VHVQXUGSANXNKR-XWIASGKRSA-N 2 1 340.311 3.835 20 0 EHADMP COc1ccc2nc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)sc2c1 ZINC000873223006 1137594256 /nfs/dbraw/zinc/59/42/56/1137594256.db2.gz GJCADCXLYJZBTL-SFHVURJKSA-N 2 1 333.501 3.502 20 0 EHADMP COc1ccc2nc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)sc2c1 ZINC000873223006 1137594257 /nfs/dbraw/zinc/59/42/57/1137594257.db2.gz GJCADCXLYJZBTL-SFHVURJKSA-N 2 1 333.501 3.502 20 0 EHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000873232523 1137594470 /nfs/dbraw/zinc/59/44/70/1137594470.db2.gz SBPQGEHSBBXFSL-KXBFYZLASA-N 3 1 347.572 3.513 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125214196 1137626583 /nfs/dbraw/zinc/62/65/83/1137626583.db2.gz HMIFVSYFWLIMEC-OALUTQOASA-N 2 1 344.524 3.768 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125214196 1137626584 /nfs/dbraw/zinc/62/65/84/1137626584.db2.gz HMIFVSYFWLIMEC-OALUTQOASA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125214196 1137626585 /nfs/dbraw/zinc/62/65/85/1137626585.db2.gz HMIFVSYFWLIMEC-OALUTQOASA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000125214196 1137626586 /nfs/dbraw/zinc/62/65/86/1137626586.db2.gz HMIFVSYFWLIMEC-OALUTQOASA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811251 1137662188 /nfs/dbraw/zinc/66/21/88/1137662188.db2.gz JEMYSCHCDHHOKP-HOJAQTOUSA-N 2 1 346.515 3.547 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OC(C)(C)C)c1 ZINC000876811251 1137662189 /nfs/dbraw/zinc/66/21/89/1137662189.db2.gz JEMYSCHCDHHOKP-HOJAQTOUSA-N 2 1 346.515 3.547 20 0 EHADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CS1 ZINC000876865726 1137664164 /nfs/dbraw/zinc/66/41/64/1137664164.db2.gz GEGSLZJQGFGTBS-QAPCUYQASA-N 2 1 333.545 3.771 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000877115308 1137670359 /nfs/dbraw/zinc/67/03/59/1137670359.db2.gz LZPYSAHUPLWKAA-YVHKJVDXSA-N 2 1 332.469 3.667 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000878865149 1137730448 /nfs/dbraw/zinc/73/04/48/1137730448.db2.gz SYZKPCXRUWPNJL-UHFFFAOYSA-N 2 1 329.875 3.806 20 0 EHADMP CS[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000128445519 1137779780 /nfs/dbraw/zinc/77/97/80/1137779780.db2.gz ATLQMDWLSDYHAM-RTBURBONSA-N 2 1 336.520 3.706 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000130498094 1137838871 /nfs/dbraw/zinc/83/88/71/1137838871.db2.gz IXXGPHKHQWYJKT-MJGOQNOKSA-N 2 1 344.499 3.839 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1sccc1Cl ZINC000883190450 1137847900 /nfs/dbraw/zinc/84/79/00/1137847900.db2.gz CSFUJSKNUAVLPJ-BBRMVZONSA-N 2 1 342.936 3.943 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239013 1137849970 /nfs/dbraw/zinc/84/99/70/1137849970.db2.gz TYVWPGXWNUFWCJ-OXJNMPFZSA-N 2 1 334.479 3.615 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458032 1137861105 /nfs/dbraw/zinc/86/11/05/1137861105.db2.gz UYGHHAKHIBXTSK-UHFFFAOYSA-N 2 1 349.478 3.657 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458032 1137861106 /nfs/dbraw/zinc/86/11/06/1137861106.db2.gz UYGHHAKHIBXTSK-UHFFFAOYSA-N 2 1 349.478 3.657 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000101727856 1137871451 /nfs/dbraw/zinc/87/14/51/1137871451.db2.gz HXVGTZYVPUSEKK-FQEVSTJZSA-N 2 1 343.515 3.589 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000101727856 1137871452 /nfs/dbraw/zinc/87/14/52/1137871452.db2.gz HXVGTZYVPUSEKK-FQEVSTJZSA-N 2 1 343.515 3.589 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202723048 1137954042 /nfs/dbraw/zinc/95/40/42/1137954042.db2.gz YMZVIQILRNBZRU-FQEVSTJZSA-N 2 1 328.500 3.542 20 0 EHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CC2CCC2)CC3)c1 ZINC001202733030 1138017018 /nfs/dbraw/zinc/01/70/18/1138017018.db2.gz LMSOHSWPTFPXTR-UHFFFAOYSA-N 2 1 328.500 3.783 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517456 1138088385 /nfs/dbraw/zinc/08/83/85/1138088385.db2.gz DTWSDADWMUDUAU-PZJWPPBQSA-N 2 1 340.515 3.619 20 0 EHADMP CCC1(O)CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886543401 1138093714 /nfs/dbraw/zinc/09/37/14/1138093714.db2.gz OBOFOXVSGWSOOG-WTLSSISGSA-N 2 1 342.527 3.713 20 0 EHADMP Cc1ncc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000886553290 1138095080 /nfs/dbraw/zinc/09/50/80/1138095080.db2.gz IXPKNWDXZIAKHA-FHWLQOOXSA-N 2 1 341.524 3.637 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cncc(F)c1 ZINC000886588179 1138099976 /nfs/dbraw/zinc/09/99/76/1138099976.db2.gz MICOMEWYUBGESP-OQRYQMPQSA-N 2 1 339.458 3.924 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncc(F)c1 ZINC000886588179 1138099978 /nfs/dbraw/zinc/09/99/78/1138099978.db2.gz MICOMEWYUBGESP-OQRYQMPQSA-N 2 1 339.458 3.924 20 0 EHADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886607663 1138101298 /nfs/dbraw/zinc/10/12/98/1138101298.db2.gz WERIUCVNLDKDHD-SSTJLMRISA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886607664 1138101371 /nfs/dbraw/zinc/10/13/71/1138101371.db2.gz WERIUCVNLDKDHD-SXYSDOLCSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1ccncc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886636206 1138104078 /nfs/dbraw/zinc/10/40/78/1138104078.db2.gz HTXFMMGFEJUDJU-BVSLBCMMSA-N 2 1 335.495 3.575 20 0 EHADMP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089686735 1138203759 /nfs/dbraw/zinc/20/37/59/1138203759.db2.gz UTUXBRHMMFPXGB-ZVDOUQERSA-N 2 1 328.500 3.687 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093088720 1138234134 /nfs/dbraw/zinc/23/41/34/1138234134.db2.gz XIHVQYDMVQHOTP-UHFFFAOYSA-N 2 1 340.895 3.521 20 0 EHADMP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564196 1138238629 /nfs/dbraw/zinc/23/86/29/1138238629.db2.gz CTSSIBMBARXZMF-HXUWFJFHSA-N 2 1 346.515 3.552 20 0 EHADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564196 1138238630 /nfs/dbraw/zinc/23/86/30/1138238630.db2.gz CTSSIBMBARXZMF-HXUWFJFHSA-N 2 1 346.515 3.552 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Cl)c2Br)C1 ZINC001202749934 1138270952 /nfs/dbraw/zinc/27/09/52/1138270952.db2.gz MGWWUAVLABYQIW-GFCCVEGCSA-N 2 1 345.712 3.924 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000348420422 1138304974 /nfs/dbraw/zinc/30/49/74/1138304974.db2.gz LJUQOLJHXLDDBY-HUUCEWRRSA-N 2 1 340.508 3.699 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000348420422 1138304978 /nfs/dbraw/zinc/30/49/78/1138304978.db2.gz LJUQOLJHXLDDBY-HUUCEWRRSA-N 2 1 340.508 3.699 20 0 EHADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000263672674 1138340310 /nfs/dbraw/zinc/34/03/10/1138340310.db2.gz HLEFKHJEZBJJRY-UHFFFAOYSA-N 2 1 342.430 3.601 20 0 EHADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000263672674 1138340315 /nfs/dbraw/zinc/34/03/15/1138340315.db2.gz HLEFKHJEZBJJRY-UHFFFAOYSA-N 2 1 342.430 3.601 20 0 EHADMP Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000263884610 1138386264 /nfs/dbraw/zinc/38/62/64/1138386264.db2.gz OPHIUSQLFGLGCO-UHFFFAOYSA-N 2 1 338.480 3.712 20 0 EHADMP Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000263884610 1138386268 /nfs/dbraw/zinc/38/62/68/1138386268.db2.gz OPHIUSQLFGLGCO-UHFFFAOYSA-N 2 1 338.480 3.712 20 0 EHADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000336686200 1138403387 /nfs/dbraw/zinc/40/33/87/1138403387.db2.gz GEXVTFMAJCDECI-RBUKOAKNSA-N 2 1 341.524 3.714 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000337267309 1138513932 /nfs/dbraw/zinc/51/39/32/1138513932.db2.gz ITNXLKSLSUOSGT-UHFFFAOYSA-N 2 1 330.394 3.545 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000337267309 1138513935 /nfs/dbraw/zinc/51/39/35/1138513935.db2.gz ITNXLKSLSUOSGT-UHFFFAOYSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337764633 1138662659 /nfs/dbraw/zinc/66/26/59/1138662659.db2.gz RMQLMQVYTRDPTP-MRXNPFEDSA-N 2 1 330.394 3.535 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000338008093 1138722451 /nfs/dbraw/zinc/72/24/51/1138722451.db2.gz AURJOUIDMYMGOG-LJQANCHMSA-N 2 1 342.393 3.634 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000338132250 1138760803 /nfs/dbraw/zinc/76/08/03/1138760803.db2.gz DSKLLDWKDQAKOE-INIZCTEOSA-N 2 1 346.906 3.880 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000338132250 1138760804 /nfs/dbraw/zinc/76/08/04/1138760804.db2.gz DSKLLDWKDQAKOE-INIZCTEOSA-N 2 1 346.906 3.880 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000338132250 1138760808 /nfs/dbraw/zinc/76/08/08/1138760808.db2.gz DSKLLDWKDQAKOE-INIZCTEOSA-N 2 1 346.906 3.880 20 0 EHADMP COc1ccc(C[N@@H+](CCn2ccnc2C)CC2CCC2)c(OC)c1 ZINC000338331321 1138836954 /nfs/dbraw/zinc/83/69/54/1138836954.db2.gz FVZDGCPOGONNMM-UHFFFAOYSA-N 2 1 343.471 3.511 20 0 EHADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)CC2CCC2)c(OC)c1 ZINC000338331321 1138836961 /nfs/dbraw/zinc/83/69/61/1138836961.db2.gz FVZDGCPOGONNMM-UHFFFAOYSA-N 2 1 343.471 3.511 20 0 EHADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)CC2CCC2)c(OC)c1 ZINC000338331321 1138836967 /nfs/dbraw/zinc/83/69/67/1138836967.db2.gz FVZDGCPOGONNMM-UHFFFAOYSA-N 2 1 343.471 3.511 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(F)c3)CC2)oc1C ZINC000174080953 1139398426 /nfs/dbraw/zinc/39/84/26/1139398426.db2.gz ATIGHTUGWXMCOC-HNNXBMFYSA-N 2 1 345.462 3.993 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)Sc1ccc(Br)cc1 ZINC000177321897 1139612792 /nfs/dbraw/zinc/61/27/92/1139612792.db2.gz ZLPBJYYWPZRSLM-LBPRGKRZSA-N 2 1 343.334 3.614 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299400 1139684913 /nfs/dbraw/zinc/68/49/13/1139684913.db2.gz PBKYZBIGWSJEPQ-MDZRGWNJSA-N 2 1 325.456 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299400 1139684915 /nfs/dbraw/zinc/68/49/15/1139684915.db2.gz PBKYZBIGWSJEPQ-MDZRGWNJSA-N 2 1 325.456 3.692 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000178695976 1139713066 /nfs/dbraw/zinc/71/30/66/1139713066.db2.gz VLWSBRYVJTWOCP-FQEVSTJZSA-N 2 1 336.483 3.729 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1SC ZINC000178704227 1139713300 /nfs/dbraw/zinc/71/33/00/1139713300.db2.gz JZOHKEQJHWHGMH-KBPBESRZSA-N 2 1 333.501 3.909 20 0 EHADMP c1csc(CC[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000183134127 1140015122 /nfs/dbraw/zinc/01/51/22/1140015122.db2.gz NTYREDRZIDVDGO-QRVBRYPASA-N 2 1 341.524 3.576 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183198070 1140019368 /nfs/dbraw/zinc/01/93/68/1140019368.db2.gz IGGUXXBREOALCI-ZMSDIMECSA-N 2 1 330.472 3.719 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691960 1140163557 /nfs/dbraw/zinc/16/35/57/1140163557.db2.gz LPDFZDGOIHALCC-KHYOSLBOSA-N 2 1 336.907 3.616 20 0 EHADMP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC(C)C ZINC000186384291 1140201237 /nfs/dbraw/zinc/20/12/37/1140201237.db2.gz YKRUCDPUXREDTK-FQEVSTJZSA-N 2 1 334.504 3.624 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000194070765 1140596114 /nfs/dbraw/zinc/59/61/14/1140596114.db2.gz PRVXTTINIIMTKY-RSRIQPTJSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000194070765 1140596117 /nfs/dbraw/zinc/59/61/17/1140596117.db2.gz PRVXTTINIIMTKY-RSRIQPTJSA-N 2 1 340.511 3.587 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1OC(F)F ZINC000268735110 1140979144 /nfs/dbraw/zinc/97/91/44/1140979144.db2.gz BGQLLZRVJISUTL-ZDUSSCGKSA-N 2 1 330.419 3.678 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1OC(F)F ZINC000268735110 1140979148 /nfs/dbraw/zinc/97/91/48/1140979148.db2.gz BGQLLZRVJISUTL-ZDUSSCGKSA-N 2 1 330.419 3.678 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928661 1141027343 /nfs/dbraw/zinc/02/73/43/1141027343.db2.gz YUPLIQGJKKFQLJ-ZWKOTPCHSA-N 2 1 326.488 3.643 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268933818 1141030115 /nfs/dbraw/zinc/03/01/15/1141030115.db2.gz RJTSPMWJJPGWNW-KAGYGMCKSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268933818 1141030122 /nfs/dbraw/zinc/03/01/22/1141030122.db2.gz RJTSPMWJJPGWNW-KAGYGMCKSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000268982035 1141039279 /nfs/dbraw/zinc/03/92/79/1141039279.db2.gz DCNZKVJIQGSQAW-DNVCBOLYSA-N 2 1 343.540 3.945 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000268982035 1141039284 /nfs/dbraw/zinc/03/92/84/1141039284.db2.gz DCNZKVJIQGSQAW-DNVCBOLYSA-N 2 1 343.540 3.945 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC000269030385 1141051903 /nfs/dbraw/zinc/05/19/03/1141051903.db2.gz ROFYZFCXHCKDEB-UIAACRFSSA-N 2 1 334.479 3.540 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000269055336 1141057387 /nfs/dbraw/zinc/05/73/87/1141057387.db2.gz SBLWTAXUBKUEDL-IFXJQAMLSA-N 2 1 341.480 3.801 20 0 EHADMP C[C@H](c1nc2ccccc2n1C(F)F)N(C)CCCn1ccnc1 ZINC000269178001 1141076100 /nfs/dbraw/zinc/07/61/00/1141076100.db2.gz GJWFFKTWCOSQPF-CYBMUJFWSA-N 2 1 333.386 3.711 20 0 EHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000270695816 1141258272 /nfs/dbraw/zinc/25/82/72/1141258272.db2.gz WZAURUZOLFQVMD-WOJBJXKFSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000271670356 1141416420 /nfs/dbraw/zinc/41/64/20/1141416420.db2.gz IFBAJLVHXNPLPT-INIZCTEOSA-N 2 1 334.261 3.695 20 0 EHADMP Cc1ccc2c(C)cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]c2c1 ZINC000274008081 1141461489 /nfs/dbraw/zinc/46/14/89/1141461489.db2.gz BBOATDSSALPKSM-KRWDZBQOSA-N 2 1 339.483 3.764 20 0 EHADMP COc1ccc(F)c(CNCc2ccc(-n3ccnc3C)c(F)c2)c1 ZINC000339206127 1141527802 /nfs/dbraw/zinc/52/78/02/1141527802.db2.gz VVQULAXAAKMQKL-UHFFFAOYSA-N 2 1 343.377 3.757 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348818838 1141586536 /nfs/dbraw/zinc/58/65/36/1141586536.db2.gz IHPSXBQVCZYGMQ-PMACEKPBSA-N 2 1 345.462 3.963 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348818838 1141586539 /nfs/dbraw/zinc/58/65/39/1141586539.db2.gz IHPSXBQVCZYGMQ-PMACEKPBSA-N 2 1 345.462 3.963 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348818839 1141586871 /nfs/dbraw/zinc/58/68/71/1141586871.db2.gz IHPSXBQVCZYGMQ-UXHICEINSA-N 2 1 345.462 3.963 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348818839 1141586876 /nfs/dbraw/zinc/58/68/76/1141586876.db2.gz IHPSXBQVCZYGMQ-UXHICEINSA-N 2 1 345.462 3.963 20 0 EHADMP Cc1ccsc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261869216 564045638 /nfs/dbraw/zinc/04/56/38/564045638.db2.gz QLIGEBRWMAPARM-OAHLLOKOSA-N 2 1 333.526 3.657 20 0 EHADMP Cc1ccsc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261869216 564045639 /nfs/dbraw/zinc/04/56/39/564045639.db2.gz QLIGEBRWMAPARM-OAHLLOKOSA-N 2 1 333.526 3.657 20 0 EHADMP C[C@@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1cc(F)cc(F)c1 ZINC000449027348 1032061686 /nfs/dbraw/zinc/06/16/86/1032061686.db2.gz LSPROZXILHQLBX-AWEZNQCLSA-N 2 1 333.426 3.757 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000430140579 1014169298 /nfs/dbraw/zinc/16/92/98/1014169298.db2.gz OWBBYSRUURHFAY-VAMGGRTRSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000339415756 1014380042 /nfs/dbraw/zinc/38/00/42/1014380042.db2.gz ULZXCRUVFGNZJX-TZIWHRDSSA-N 2 1 340.515 3.636 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424174 1014393842 /nfs/dbraw/zinc/39/38/42/1014393842.db2.gz YPQMQEFAGRXTTI-RDJZCZTQSA-N 2 1 330.451 3.536 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424174 1014393850 /nfs/dbraw/zinc/39/38/50/1014393850.db2.gz YPQMQEFAGRXTTI-RDJZCZTQSA-N 2 1 330.451 3.536 20 0 EHADMP CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000339431569 1014421942 /nfs/dbraw/zinc/42/19/42/1014421942.db2.gz CVTSEOKMDXYMNK-FQEVSTJZSA-N 2 1 339.483 3.597 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000683141517 1014489258 /nfs/dbraw/zinc/48/92/58/1014489258.db2.gz XZFYPWUHIHVRBQ-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000179416611 1015381949 /nfs/dbraw/zinc/38/19/49/1015381949.db2.gz HSHDYDFBFKSOBD-GFCCVEGCSA-N 2 1 336.277 3.688 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000339682854 1015511437 /nfs/dbraw/zinc/51/14/37/1015511437.db2.gz MAXOMRLPFMEGKD-SJLPKXTDSA-N 2 1 336.545 3.542 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000154517829 1015517812 /nfs/dbraw/zinc/51/78/12/1015517812.db2.gz HWNHEILJGFYVDK-LJQANCHMSA-N 2 1 347.547 3.542 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1 ZINC000183151263 1032136383 /nfs/dbraw/zinc/13/63/83/1032136383.db2.gz UOQUVXUAZCVMSK-MRXNPFEDSA-N 2 1 348.450 3.778 20 0 EHADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnc(C3CCCCC3)s1)C2 ZINC000547768075 1016074830 /nfs/dbraw/zinc/07/48/30/1016074830.db2.gz LLJWJLRRQWAKEO-CQSZACIVSA-N 2 1 330.501 3.740 20 0 EHADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093315314 1016339832 /nfs/dbraw/zinc/33/98/32/1016339832.db2.gz UFQIAGSVEMRRFF-INIZCTEOSA-N 2 1 328.456 3.526 20 0 EHADMP C[NH+](C)CCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000151956575 1016427842 /nfs/dbraw/zinc/42/78/42/1016427842.db2.gz IHAPNZPQSVGHAO-HNNXBMFYSA-N 2 1 333.476 3.868 20 0 EHADMP COC1([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193748 1016465818 /nfs/dbraw/zinc/46/58/18/1016465818.db2.gz SCBPSQPVGNHWNV-MJGOQNOKSA-N 2 1 328.500 3.731 20 0 EHADMP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193748 1016465824 /nfs/dbraw/zinc/46/58/24/1016465824.db2.gz SCBPSQPVGNHWNV-MJGOQNOKSA-N 2 1 328.500 3.731 20 0 EHADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)cc1 ZINC000275444804 1016794811 /nfs/dbraw/zinc/79/48/11/1016794811.db2.gz KOALZDCLFYIUQM-SFHVURJKSA-N 2 1 340.471 3.878 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)NC(C)(C)C ZINC000449095970 1032175862 /nfs/dbraw/zinc/17/58/62/1032175862.db2.gz DAAMVUBCIBDGKU-HNNXBMFYSA-N 2 1 339.568 3.558 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449116309 1032207982 /nfs/dbraw/zinc/20/79/82/1032207982.db2.gz KXKUJKADHVBTFA-UHFFFAOYSA-N 2 1 334.552 3.806 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000538307760 1032271806 /nfs/dbraw/zinc/27/18/06/1032271806.db2.gz IJNBHTQPWILBRK-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449165146 1032278948 /nfs/dbraw/zinc/27/89/48/1032278948.db2.gz UCTLMZUHNBHTOS-UHFFFAOYSA-N 2 1 340.240 3.663 20 0 EHADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CCCC3)CC1)OCCCCO2 ZINC000449181909 1032296608 /nfs/dbraw/zinc/29/66/08/1032296608.db2.gz JBJOAHZWHMGPFK-UHFFFAOYSA-N 2 1 344.499 3.735 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000151865493 1032345094 /nfs/dbraw/zinc/34/50/94/1032345094.db2.gz NIJRZKZOJSNMIV-SJORKVTESA-N 2 1 326.488 3.706 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000151865271 1032345787 /nfs/dbraw/zinc/34/57/87/1032345787.db2.gz NIJRZKZOJSNMIV-DLBZAZTESA-N 2 1 326.488 3.706 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634517 1032358260 /nfs/dbraw/zinc/35/82/60/1032358260.db2.gz AZAFZCMURJMKOG-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634517 1032358266 /nfs/dbraw/zinc/35/82/66/1032358266.db2.gz AZAFZCMURJMKOG-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634517 1032358275 /nfs/dbraw/zinc/35/82/75/1032358275.db2.gz AZAFZCMURJMKOG-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000081634517 1032358284 /nfs/dbraw/zinc/35/82/84/1032358284.db2.gz AZAFZCMURJMKOG-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651981 1032372850 /nfs/dbraw/zinc/37/28/50/1032372850.db2.gz BHTFSZAYDFLPBM-HOTGVXAUSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651981 1032372858 /nfs/dbraw/zinc/37/28/58/1032372858.db2.gz BHTFSZAYDFLPBM-HOTGVXAUSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651981 1032372865 /nfs/dbraw/zinc/37/28/65/1032372865.db2.gz BHTFSZAYDFLPBM-HOTGVXAUSA-N 2 1 348.453 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000083474224 1032395201 /nfs/dbraw/zinc/39/52/01/1032395201.db2.gz BJAJTRVCHWLULD-QAPCUYQASA-N 2 1 329.875 3.878 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000083474224 1032395213 /nfs/dbraw/zinc/39/52/13/1032395213.db2.gz BJAJTRVCHWLULD-QAPCUYQASA-N 2 1 329.875 3.878 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305339 1032425245 /nfs/dbraw/zinc/42/52/45/1032425245.db2.gz RZOXLJGGFALSIJ-MJGOQNOKSA-N 2 1 349.950 3.592 20 0 EHADMP CCCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459722505 1032431122 /nfs/dbraw/zinc/43/11/22/1032431122.db2.gz BOQRNAYBDMIYLO-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP CCCCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459732038 1032436017 /nfs/dbraw/zinc/43/60/17/1032436017.db2.gz LXVWDUDAZNFNQW-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459731507 1032436909 /nfs/dbraw/zinc/43/69/09/1032436909.db2.gz FEUDLTCRFRHCFB-VBSBHUPXSA-N 2 1 348.556 3.646 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459795992 1032478607 /nfs/dbraw/zinc/47/86/07/1032478607.db2.gz VTCGHIXMNYYYHG-MSOLQXFVSA-N 2 1 345.531 3.849 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000459797534 1032480341 /nfs/dbraw/zinc/48/03/41/1032480341.db2.gz WZYWRVQQZDPAHM-GOSISDBHSA-N 2 1 343.540 3.750 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccn1 ZINC000449396683 1032503285 /nfs/dbraw/zinc/50/32/85/1032503285.db2.gz MDJVXDVPDNAOSG-QHAWAJNXSA-N 2 1 349.522 3.859 20 0 EHADMP CSC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000423372374 1032541908 /nfs/dbraw/zinc/54/19/08/1032541908.db2.gz GCSSXSRUGHXGNB-UGFHNGPFSA-N 2 1 332.435 3.840 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000089512894 1032543761 /nfs/dbraw/zinc/54/37/61/1032543761.db2.gz KBEQUQYBGQPSSR-AWEZNQCLSA-N 2 1 343.515 3.830 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261878091 1032567401 /nfs/dbraw/zinc/56/74/01/1032567401.db2.gz MENATTJAWAREGH-SHPPOPEUSA-N 2 1 328.378 3.705 20 0 EHADMP C[C@@H](CCc1ccccc1)C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537332157 1032638096 /nfs/dbraw/zinc/63/80/96/1032638096.db2.gz RXWOJLBFPCMOOT-SLFFLAALSA-N 2 1 332.532 3.734 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CC3 ZINC000376823575 1017143216 /nfs/dbraw/zinc/14/32/16/1017143216.db2.gz PXIFMLOMMLCKNF-YJPQMCDFSA-N 2 1 325.500 3.652 20 0 EHADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447742 1032687293 /nfs/dbraw/zinc/68/72/93/1032687293.db2.gz CZAUGSWJFVHOCL-IBGZPJMESA-N 2 1 346.515 3.805 20 0 EHADMP CCCOc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447742 1032687300 /nfs/dbraw/zinc/68/73/00/1032687300.db2.gz CZAUGSWJFVHOCL-IBGZPJMESA-N 2 1 346.515 3.805 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cnc1F ZINC000892737563 1017274331 /nfs/dbraw/zinc/27/43/31/1017274331.db2.gz FRYJFPNXSOHJGD-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cnc1F ZINC000892737563 1017274340 /nfs/dbraw/zinc/27/43/40/1017274340.db2.gz FRYJFPNXSOHJGD-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000449505497 1032689954 /nfs/dbraw/zinc/68/99/54/1032689954.db2.gz ZMCIEIYHOSYUIV-IRLDBZIGSA-N 2 1 344.543 3.734 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000655711707 1017432896 /nfs/dbraw/zinc/43/28/96/1017432896.db2.gz KYKRCSFPYBXHHI-MRXNPFEDSA-N 2 1 329.513 3.858 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000655711707 1017432909 /nfs/dbraw/zinc/43/29/09/1017432909.db2.gz KYKRCSFPYBXHHI-MRXNPFEDSA-N 2 1 329.513 3.858 20 0 EHADMP CC(C)(CCCc1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655729369 1017481397 /nfs/dbraw/zinc/48/13/97/1017481397.db2.gz FWXKBAHANGDWKM-OAQYLSRUSA-N 2 1 344.543 3.878 20 0 EHADMP Clc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000340409010 1017487854 /nfs/dbraw/zinc/48/78/54/1017487854.db2.gz NHNOEGQMVZROMD-UHFFFAOYSA-N 2 1 334.847 3.697 20 0 EHADMP CC(C)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655737169 1017495327 /nfs/dbraw/zinc/49/53/27/1017495327.db2.gz WJAIGYQBYXODMA-PGRDOPGGSA-N 2 1 344.543 3.974 20 0 EHADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655752358 1017534275 /nfs/dbraw/zinc/53/42/75/1017534275.db2.gz LENIWZZBIYSGHW-NRFANRHFSA-N 2 1 342.527 3.632 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1OC ZINC000415091800 1017546831 /nfs/dbraw/zinc/54/68/31/1017546831.db2.gz QXIAMQDMCMLFER-OALUTQOASA-N 2 1 340.467 3.677 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)s2)CCCO1 ZINC000415112352 1017566481 /nfs/dbraw/zinc/56/64/81/1017566481.db2.gz QGCMSFCLONRSDT-ZDUSSCGKSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)s2)CCCO1 ZINC000415112352 1017566485 /nfs/dbraw/zinc/56/64/85/1017566485.db2.gz QGCMSFCLONRSDT-ZDUSSCGKSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C1 ZINC000415128153 1017593145 /nfs/dbraw/zinc/59/31/45/1017593145.db2.gz RTPQJOLQRZEMSB-CHWSQXEVSA-N 2 1 349.327 3.773 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000655843770 1017751679 /nfs/dbraw/zinc/75/16/79/1017751679.db2.gz MHUOQJXVTBHFCK-SFHVURJKSA-N 2 1 325.500 3.760 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000655848436 1017765510 /nfs/dbraw/zinc/76/55/10/1017765510.db2.gz IZRYSRZTOVYODG-SFTDATJTSA-N 2 1 330.516 3.631 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924616379 1018054639 /nfs/dbraw/zinc/05/46/39/1018054639.db2.gz CCWXQTQFXXFUSO-NRFANRHFSA-N 2 1 325.500 3.555 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000580026342 1018175340 /nfs/dbraw/zinc/17/53/40/1018175340.db2.gz FGNOQDKCNGTMSS-LJQANCHMSA-N 2 1 340.858 3.585 20 0 EHADMP Cn1ccnc1[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000377888723 1018515423 /nfs/dbraw/zinc/51/54/23/1018515423.db2.gz LSQCJZXDKQZEJK-CQSZACIVSA-N 2 1 342.443 3.672 20 0 EHADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C)c1OCc1ccccn1 ZINC000580259774 1018882795 /nfs/dbraw/zinc/88/27/95/1018882795.db2.gz WSIAPXWUIGLJAZ-UHFFFAOYSA-N 2 1 341.499 3.661 20 0 EHADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C)c1OCc1ccccn1 ZINC000580259774 1018882808 /nfs/dbraw/zinc/88/28/08/1018882808.db2.gz WSIAPXWUIGLJAZ-UHFFFAOYSA-N 2 1 341.499 3.661 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092739565 1032820157 /nfs/dbraw/zinc/82/01/57/1032820157.db2.gz VYVNUHTZPQYSMY-MRXNPFEDSA-N 2 1 345.462 3.792 20 0 EHADMP Clc1cccc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)nc12 ZINC001204734687 1019314778 /nfs/dbraw/zinc/31/47/78/1019314778.db2.gz BMNXYWXZMNECPC-UHFFFAOYSA-N 2 1 329.875 3.854 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000580452154 1019390665 /nfs/dbraw/zinc/39/06/65/1019390665.db2.gz PHUBAVSCAARURR-OALUTQOASA-N 2 1 332.532 3.989 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000580452154 1019390677 /nfs/dbraw/zinc/39/06/77/1019390677.db2.gz PHUBAVSCAARURR-OALUTQOASA-N 2 1 332.532 3.989 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000430009759 1019456362 /nfs/dbraw/zinc/45/63/62/1019456362.db2.gz XBUFQHMOPPWNIX-OAHLLOKOSA-N 2 1 334.891 3.703 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000430009759 1019456371 /nfs/dbraw/zinc/45/63/71/1019456371.db2.gz XBUFQHMOPPWNIX-OAHLLOKOSA-N 2 1 334.891 3.703 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000471590002 1019561816 /nfs/dbraw/zinc/56/18/16/1019561816.db2.gz UAFNNKMAZHXZLD-SCQOQHIRSA-N 2 1 330.516 3.689 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000513480165 1019729908 /nfs/dbraw/zinc/72/99/08/1019729908.db2.gz XVCZWANEMOHCEQ-DYESRHJHSA-N 2 1 326.484 3.583 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000513499938 1019757817 /nfs/dbraw/zinc/75/78/17/1019757817.db2.gz JQGHEILSUXCIAG-ICSRJNTNSA-N 2 1 348.494 3.725 20 0 EHADMP CCCn1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513539950 1019822085 /nfs/dbraw/zinc/82/20/85/1019822085.db2.gz SYUUFUATTCRCIZ-UYAOXDASSA-N 2 1 340.515 3.683 20 0 EHADMP CC(C)n1nccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000280222926 1020207132 /nfs/dbraw/zinc/20/71/32/1020207132.db2.gz JAYCCEJOZUJTHU-WGMWDUQUSA-N 2 1 340.515 3.710 20 0 EHADMP CC(C)n1nccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280222926 1020207143 /nfs/dbraw/zinc/20/71/43/1020207143.db2.gz JAYCCEJOZUJTHU-WGMWDUQUSA-N 2 1 340.515 3.710 20 0 EHADMP CCCc1ncc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000449614844 1032885815 /nfs/dbraw/zinc/88/58/15/1032885815.db2.gz XGVKBZLZGKFJFB-SJLPKXTDSA-N 2 1 327.472 3.627 20 0 EHADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000430540916 1020551825 /nfs/dbraw/zinc/55/18/25/1020551825.db2.gz HRTSXPJTWSHOPE-FQEVSTJZSA-N 2 1 339.483 3.744 20 0 EHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000430540916 1020551832 /nfs/dbraw/zinc/55/18/32/1020551832.db2.gz HRTSXPJTWSHOPE-FQEVSTJZSA-N 2 1 339.483 3.744 20 0 EHADMP CC(C)[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000548156420 1020562730 /nfs/dbraw/zinc/56/27/30/1020562730.db2.gz HSSASRSGHTXLOB-FCEUIQTBSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542644 1020584805 /nfs/dbraw/zinc/58/48/05/1020584805.db2.gz CMLZVVXHYGRBKQ-GXTWGEPZSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430542644 1020584809 /nfs/dbraw/zinc/58/48/09/1020584809.db2.gz CMLZVVXHYGRBKQ-GXTWGEPZSA-N 2 1 348.288 3.557 20 0 EHADMP CCn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000093844540 1032914664 /nfs/dbraw/zinc/91/46/64/1032914664.db2.gz DKBJYGNRKBHGLQ-KRWDZBQOSA-N 2 1 346.563 3.996 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430549492 1020640047 /nfs/dbraw/zinc/64/00/47/1020640047.db2.gz XVWOGDADPOAPAY-AEFFLSMTSA-N 2 1 334.467 3.561 20 0 EHADMP CC(C)[C@@H](O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278773732 1032921308 /nfs/dbraw/zinc/92/13/08/1032921308.db2.gz PHOKRBDYQHPZJV-PLACYPQZSA-N 2 1 342.527 3.569 20 0 EHADMP Cc1ccc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000501075115 1020695818 /nfs/dbraw/zinc/69/58/18/1020695818.db2.gz AJRXMWAXQVFUCP-HXUWFJFHSA-N 2 1 331.548 3.712 20 0 EHADMP Brc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000341180141 1021049807 /nfs/dbraw/zinc/04/98/07/1021049807.db2.gz DWTJVLKFPUBSDV-ACJLOTCBSA-N 2 1 349.316 3.900 20 0 EHADMP c1coc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cs2)c1 ZINC000656787017 1021351163 /nfs/dbraw/zinc/35/11/63/1021351163.db2.gz ZOCQEGQXDBFLJF-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414999243 1021469652 /nfs/dbraw/zinc/46/96/52/1021469652.db2.gz JWHJSHMZKABKFO-VNQPRFMTSA-N 2 1 328.834 3.811 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426423475 1021549615 /nfs/dbraw/zinc/54/96/15/1021549615.db2.gz ZCSUSHPVLKFMQV-KSZLIROESA-N 2 1 348.531 3.680 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000518805888 1021574714 /nfs/dbraw/zinc/57/47/14/1021574714.db2.gz BEKUJKWJHFOWLY-MRXNPFEDSA-N 2 1 334.504 3.927 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(n2)CCC3)C[N@H+]1Cc1ccccc1 ZINC000519689565 1021625661 /nfs/dbraw/zinc/62/56/61/1021625661.db2.gz GPPFBBNIVGCRNH-UYAOXDASSA-N 2 1 349.522 3.961 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000581760650 1021712483 /nfs/dbraw/zinc/71/24/83/1021712483.db2.gz ZWKRQOVPNZHQEO-ITAUSPCMSA-N 2 1 342.527 3.632 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000440704647 1021726065 /nfs/dbraw/zinc/72/60/65/1021726065.db2.gz OGPMJJLUOWAXID-RHSMWYFYSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000440704647 1021726077 /nfs/dbraw/zinc/72/60/77/1021726077.db2.gz OGPMJJLUOWAXID-RHSMWYFYSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000440704647 1021726089 /nfs/dbraw/zinc/72/60/89/1021726089.db2.gz OGPMJJLUOWAXID-RHSMWYFYSA-N 2 1 344.421 3.790 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819618 1021753430 /nfs/dbraw/zinc/75/34/30/1021753430.db2.gz WUDXYRRTLWYVGO-LPHOPBHVSA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819618 1021753443 /nfs/dbraw/zinc/75/34/43/1021753443.db2.gz WUDXYRRTLWYVGO-LPHOPBHVSA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819617 1021753659 /nfs/dbraw/zinc/75/36/59/1021753659.db2.gz WUDXYRRTLWYVGO-APWZRJJASA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819617 1021753674 /nfs/dbraw/zinc/75/36/74/1021753674.db2.gz WUDXYRRTLWYVGO-APWZRJJASA-N 2 1 338.923 3.985 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437579928 1021965653 /nfs/dbraw/zinc/96/56/53/1021965653.db2.gz MVBNLJUXCMTDSB-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437579928 1021965668 /nfs/dbraw/zinc/96/56/68/1021965668.db2.gz MVBNLJUXCMTDSB-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000440338812 1022113854 /nfs/dbraw/zinc/11/38/54/1022113854.db2.gz LKPNTQYIGRLWMN-MRXNPFEDSA-N 2 1 344.528 3.807 20 0 EHADMP c1csc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)c1 ZINC000415038525 1022170229 /nfs/dbraw/zinc/17/02/29/1022170229.db2.gz HWYUJBFPBGKSJR-HIFRSBDPSA-N 2 1 333.526 3.836 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)c1 ZINC000415038525 1022170240 /nfs/dbraw/zinc/17/02/40/1022170240.db2.gz HWYUJBFPBGKSJR-HIFRSBDPSA-N 2 1 333.526 3.836 20 0 EHADMP CC[N@@H+](CCC1CC1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000546267050 1022174147 /nfs/dbraw/zinc/17/41/47/1022174147.db2.gz BDEAUWRQFYIUQB-UHFFFAOYSA-N 2 1 329.532 3.839 20 0 EHADMP FC(F)(F)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167962334 1022237508 /nfs/dbraw/zinc/23/75/08/1022237508.db2.gz WVBFXWPXYXONRZ-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP FC(F)(F)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167962334 1022237519 /nfs/dbraw/zinc/23/75/19/1022237519.db2.gz WVBFXWPXYXONRZ-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)C1 ZINC000187818681 1022253000 /nfs/dbraw/zinc/25/30/00/1022253000.db2.gz JVVYHNSPDZIONZ-CRAIPNDOSA-N 2 1 334.529 3.944 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647199545 1022317323 /nfs/dbraw/zinc/31/73/23/1022317323.db2.gz HDKMCWFMFLEJJP-DFQSSKMNSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647199545 1022317338 /nfs/dbraw/zinc/31/73/38/1022317338.db2.gz HDKMCWFMFLEJJP-DFQSSKMNSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)C[NH+](C)C ZINC000425941202 1022327673 /nfs/dbraw/zinc/32/76/73/1022327673.db2.gz BNKGFAGXBFUGJP-BDJLRTHQSA-N 2 1 343.284 3.827 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000438094936 1022375294 /nfs/dbraw/zinc/37/52/94/1022375294.db2.gz FWPZZUZPKBIZGL-UHFFFAOYSA-N 2 1 342.886 3.802 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C[NH+](C)C ZINC000425946844 1022375599 /nfs/dbraw/zinc/37/55/99/1022375599.db2.gz QFRFPSQXEPIXNR-RISCZKNCSA-N 2 1 343.334 3.773 20 0 EHADMP Fc1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971264 1022389590 /nfs/dbraw/zinc/38/95/90/1022389590.db2.gz VRCHGCXKHYTWPN-PHSGOXPASA-N 2 1 330.447 3.644 20 0 EHADMP Fc1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971264 1022389607 /nfs/dbraw/zinc/38/96/07/1022389607.db2.gz VRCHGCXKHYTWPN-PHSGOXPASA-N 2 1 330.447 3.644 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000550097560 1022423284 /nfs/dbraw/zinc/42/32/84/1022423284.db2.gz SHAXADCCBIJFDY-IPMKNSEASA-N 2 1 338.536 3.599 20 0 EHADMP COc1cccc2c(N3CCC([NH+]4CCCC4)CC3)cc(C)[nH+]c12 ZINC000121545904 1022717184 /nfs/dbraw/zinc/71/71/84/1022717184.db2.gz KJKTYZGRNPTFMO-UHFFFAOYSA-N 2 1 325.456 3.616 20 0 EHADMP CC1(C)C[C@@H](C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CCO1 ZINC001167981984 1022788252 /nfs/dbraw/zinc/78/82/52/1022788252.db2.gz RQUGOTFWOMYIEK-QBUWPKIASA-N 2 1 332.532 3.719 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccccc1 ZINC000414950357 1022985080 /nfs/dbraw/zinc/98/50/80/1022985080.db2.gz ONCOAKPIKZLYTM-VQIMIIECSA-N 2 1 340.467 3.504 20 0 EHADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000262059302 1023027639 /nfs/dbraw/zinc/02/76/39/1023027639.db2.gz RACIRYMIGRAYGS-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP COc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000438827354 1023046070 /nfs/dbraw/zinc/04/60/70/1023046070.db2.gz RMVSWIVPHPUOGE-UHFFFAOYSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+](CCOc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000607358464 1033105621 /nfs/dbraw/zinc/10/56/21/1033105621.db2.gz HVWGCCRANRBOKB-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[N@@H+](CCOc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000607358464 1033105625 /nfs/dbraw/zinc/10/56/25/1033105625.db2.gz HVWGCCRANRBOKB-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1c(Cl)cccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000607358464 1033105633 /nfs/dbraw/zinc/10/56/33/1033105633.db2.gz HVWGCCRANRBOKB-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1c(Cl)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358464 1033105639 /nfs/dbraw/zinc/10/56/39/1033105639.db2.gz HVWGCCRANRBOKB-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000638754226 1023057866 /nfs/dbraw/zinc/05/78/66/1023057866.db2.gz VHAIMSINNRMUCS-SCWSEQNSSA-N 2 1 328.500 3.759 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000638754226 1023057880 /nfs/dbraw/zinc/05/78/80/1023057880.db2.gz VHAIMSINNRMUCS-SCWSEQNSSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+](CCCOc1ccc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000607358142 1033103223 /nfs/dbraw/zinc/10/32/23/1033103223.db2.gz FDLWGWVIEKRBTQ-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1ccc2ccccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000607358142 1033103239 /nfs/dbraw/zinc/10/32/39/1033103239.db2.gz FDLWGWVIEKRBTQ-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1ccc2ccccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358142 1033103244 /nfs/dbraw/zinc/10/32/44/1033103244.db2.gz FDLWGWVIEKRBTQ-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507133307 1023150572 /nfs/dbraw/zinc/15/05/72/1023150572.db2.gz WEKSDOSVHDRFOU-FQEVSTJZSA-N 2 1 329.532 3.837 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353932474 1023207109 /nfs/dbraw/zinc/20/71/09/1023207109.db2.gz STRWFWVITVXZHW-KRWDZBQOSA-N 2 1 344.478 3.613 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000427120744 1023230035 /nfs/dbraw/zinc/23/00/35/1023230035.db2.gz DZAKOFCOELRVQI-LAUBAEHRSA-N 2 1 342.433 3.781 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000427120743 1023230462 /nfs/dbraw/zinc/23/04/62/1023230462.db2.gz DZAKOFCOELRVQI-DYESRHJHSA-N 2 1 342.433 3.781 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000283216605 1023413950 /nfs/dbraw/zinc/41/39/50/1023413950.db2.gz HONJVKKEPKGQCW-NRFANRHFSA-N 2 1 329.532 3.630 20 0 EHADMP Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000458274952 1023845617 /nfs/dbraw/zinc/84/56/17/1023845617.db2.gz XXWARCFHOLEFJH-FQEVSTJZSA-N 2 1 343.515 3.792 20 0 EHADMP C[C@H]1CC([N@H+]2CCCC3(COC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045454 1023973781 /nfs/dbraw/zinc/97/37/81/1023973781.db2.gz KEEUQFZCLJUXPW-ROUUACIJSA-N 2 1 328.500 3.540 20 0 EHADMP COC(=O)C1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000192442772 1024010426 /nfs/dbraw/zinc/01/04/26/1024010426.db2.gz TZCMLHJOFLEFMJ-IVMQYODDSA-N 2 1 344.499 3.533 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000514085720 1024119926 /nfs/dbraw/zinc/11/99/26/1024119926.db2.gz WYPFEBPGFCTEAY-FDFHNCONSA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000514085720 1024119935 /nfs/dbraw/zinc/11/99/35/1024119935.db2.gz WYPFEBPGFCTEAY-FDFHNCONSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000514085720 1024119942 /nfs/dbraw/zinc/11/99/42/1024119942.db2.gz WYPFEBPGFCTEAY-FDFHNCONSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000514085720 1024119951 /nfs/dbraw/zinc/11/99/51/1024119951.db2.gz WYPFEBPGFCTEAY-FDFHNCONSA-N 2 1 341.543 3.635 20 0 EHADMP CCC[C@@H](C(=O)OCC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000522301792 1024178564 /nfs/dbraw/zinc/17/85/64/1024178564.db2.gz KXGJNBPQIZVFIN-FQEVSTJZSA-N 2 1 346.515 3.562 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000427604423 1024235875 /nfs/dbraw/zinc/23/58/75/1024235875.db2.gz PJWNKIUJDRLSRX-JKIFEVAISA-N 2 1 339.405 3.694 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000427604423 1024235882 /nfs/dbraw/zinc/23/58/82/1024235882.db2.gz PJWNKIUJDRLSRX-JKIFEVAISA-N 2 1 339.405 3.694 20 0 EHADMP Cc1cc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC000339023997 1024427104 /nfs/dbraw/zinc/42/71/04/1024427104.db2.gz PFGBYAAGJBWTCC-IYBDPMFKSA-N 2 1 338.499 3.605 20 0 EHADMP Cc1cc(NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC000339023997 1024427113 /nfs/dbraw/zinc/42/71/13/1024427113.db2.gz PFGBYAAGJBWTCC-IYBDPMFKSA-N 2 1 338.499 3.605 20 0 EHADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346161178 1024474084 /nfs/dbraw/zinc/47/40/84/1024474084.db2.gz DTCWGTZPMPHZEW-OALUTQOASA-N 2 1 342.487 3.601 20 0 EHADMP CCOc1ccc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000346172953 1024485976 /nfs/dbraw/zinc/48/59/76/1024485976.db2.gz MABCXELZRVZUBV-UHFFFAOYSA-N 2 1 336.439 3.606 20 0 EHADMP C[N@@H+](CCSC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505243 1024491775 /nfs/dbraw/zinc/49/17/75/1024491775.db2.gz RPRNFFIFYXJDDO-HNNXBMFYSA-N 2 1 332.435 3.693 20 0 EHADMP C[NH+](CCSC(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505243 1024491790 /nfs/dbraw/zinc/49/17/90/1024491790.db2.gz RPRNFFIFYXJDDO-HNNXBMFYSA-N 2 1 332.435 3.693 20 0 EHADMP C[NH+](CCSC(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505243 1024491798 /nfs/dbraw/zinc/49/17/98/1024491798.db2.gz RPRNFFIFYXJDDO-HNNXBMFYSA-N 2 1 332.435 3.693 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000346182538 1024496414 /nfs/dbraw/zinc/49/64/14/1024496414.db2.gz VBCDUXWLUMVFRY-APWZRJJASA-N 2 1 332.451 3.954 20 0 EHADMP COc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000895449561 1024514942 /nfs/dbraw/zinc/51/49/42/1024514942.db2.gz RESHPUKCRXZNFJ-SFHVURJKSA-N 2 1 340.467 3.680 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000895449561 1024514953 /nfs/dbraw/zinc/51/49/53/1024514953.db2.gz RESHPUKCRXZNFJ-SFHVURJKSA-N 2 1 340.467 3.680 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000895449561 1024514957 /nfs/dbraw/zinc/51/49/57/1024514957.db2.gz RESHPUKCRXZNFJ-SFHVURJKSA-N 2 1 340.467 3.680 20 0 EHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346196449 1024517657 /nfs/dbraw/zinc/51/76/57/1024517657.db2.gz ZJMHVYKVKYCJQX-QZTJIDSGSA-N 2 1 330.501 3.682 20 0 EHADMP COc1ccc(CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114480617 1024588822 /nfs/dbraw/zinc/58/88/22/1024588822.db2.gz VJOILSKDLQYMNM-UHFFFAOYSA-N 2 1 338.495 3.834 20 0 EHADMP COc1ccc(CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114480617 1024588830 /nfs/dbraw/zinc/58/88/30/1024588830.db2.gz VJOILSKDLQYMNM-UHFFFAOYSA-N 2 1 338.495 3.834 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccco3)s2)CCN1c1cc[nH+]cc1 ZINC000895556035 1024610385 /nfs/dbraw/zinc/61/03/85/1024610385.db2.gz FKWACOVXHOTGIB-CQSZACIVSA-N 2 1 340.452 3.509 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccco3)s2)CCN1c1cc[nH+]cc1 ZINC000895556035 1024610392 /nfs/dbraw/zinc/61/03/92/1024610392.db2.gz FKWACOVXHOTGIB-CQSZACIVSA-N 2 1 340.452 3.509 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430129061 1024673895 /nfs/dbraw/zinc/67/38/95/1024673895.db2.gz YMNITDCYTMYQKM-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430129061 1024673904 /nfs/dbraw/zinc/67/39/04/1024673904.db2.gz YMNITDCYTMYQKM-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1ccccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430129061 1024673911 /nfs/dbraw/zinc/67/39/11/1024673911.db2.gz YMNITDCYTMYQKM-QFIPXVFZSA-N 2 1 336.479 3.890 20 0 EHADMP C[C@H]1CC(N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168031796 1024700924 /nfs/dbraw/zinc/70/09/24/1024700924.db2.gz FBUZKJORQFBGQV-WFXMLNOXSA-N 2 1 341.543 3.502 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000514734638 1024707198 /nfs/dbraw/zinc/70/71/98/1024707198.db2.gz IZBXNPMTJYQPIA-ZDUSSCGKSA-N 2 1 340.309 3.759 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375840 1024841725 /nfs/dbraw/zinc/84/17/25/1024841725.db2.gz XCNXZWFURSRKFT-CHWSQXEVSA-N 2 1 327.453 3.725 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375840 1024841740 /nfs/dbraw/zinc/84/17/40/1024841740.db2.gz XCNXZWFURSRKFT-CHWSQXEVSA-N 2 1 327.453 3.725 20 0 EHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000427864250 1024848933 /nfs/dbraw/zinc/84/89/33/1024848933.db2.gz DRKQKDGVWJZOQP-UHFFFAOYSA-N 2 1 338.495 3.862 20 0 EHADMP [NH3+]C1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCCC1 ZINC000665247875 1024852114 /nfs/dbraw/zinc/85/21/14/1024852114.db2.gz LFNIIEGZJADWAF-ZDUSSCGKSA-N 2 1 329.307 3.823 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000435382437 1024866497 /nfs/dbraw/zinc/86/64/97/1024866497.db2.gz ZUOMVJQYKCEFEW-KRWDZBQOSA-N 2 1 326.440 3.529 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000435382437 1024866513 /nfs/dbraw/zinc/86/65/13/1024866513.db2.gz ZUOMVJQYKCEFEW-KRWDZBQOSA-N 2 1 326.440 3.529 20 0 EHADMP CC[N@@H+](Cc1cc(-c2ccncc2)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435387114 1024872771 /nfs/dbraw/zinc/87/27/71/1024872771.db2.gz XDJLREVACSUKHT-HXUWFJFHSA-N 2 1 339.483 3.721 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000657887217 1033242278 /nfs/dbraw/zinc/24/22/78/1033242278.db2.gz FVLJLAFLUQNDIN-XYPHTWIQSA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000657887217 1033242290 /nfs/dbraw/zinc/24/22/90/1033242290.db2.gz FVLJLAFLUQNDIN-XYPHTWIQSA-N 2 1 339.321 3.843 20 0 EHADMP Cc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435431057 1024902093 /nfs/dbraw/zinc/90/20/93/1024902093.db2.gz GOFXKDOSFOLGTA-QGZVFWFLSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435431057 1024902103 /nfs/dbraw/zinc/90/21/03/1024902103.db2.gz GOFXKDOSFOLGTA-QGZVFWFLSA-N 2 1 327.497 3.596 20 0 EHADMP Oc1cc(F)cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425355 1024912030 /nfs/dbraw/zinc/91/20/30/1024912030.db2.gz CQYPFHZLCSSNRV-GOSISDBHSA-N 2 1 346.471 3.737 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2SC)[C@@H](C)C1 ZINC000346605844 1024944947 /nfs/dbraw/zinc/94/49/47/1024944947.db2.gz JAYCFYGEATUPJO-FUHWJXTLSA-N 2 1 336.545 3.635 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2SC)[C@@H](C)C1 ZINC000346605844 1024944957 /nfs/dbraw/zinc/94/49/57/1024944957.db2.gz JAYCFYGEATUPJO-FUHWJXTLSA-N 2 1 336.545 3.635 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)c3cnc(C)cn3)C2)s1 ZINC000563217405 1024953687 /nfs/dbraw/zinc/95/36/87/1024953687.db2.gz OSLDBWUZDNWWGP-IAGOWNOFSA-N 2 1 344.528 3.670 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000657310704 1024956202 /nfs/dbraw/zinc/95/62/02/1024956202.db2.gz RKQYMHOIJHARER-SFHVURJKSA-N 2 1 340.515 3.957 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474479103 1025019315 /nfs/dbraw/zinc/01/93/15/1025019315.db2.gz XQCIDIXLNOIDSM-XDNAFOTISA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474479103 1025019332 /nfs/dbraw/zinc/01/93/32/1025019332.db2.gz XQCIDIXLNOIDSM-XDNAFOTISA-N 2 1 348.531 3.906 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000474478796 1025031468 /nfs/dbraw/zinc/03/14/68/1025031468.db2.gz MILSNXBQJIPVTN-ZWKOTPCHSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428221355 1025055482 /nfs/dbraw/zinc/05/54/82/1025055482.db2.gz KHWGCGVRMJHHBV-MKJVIKKCSA-N 2 1 344.543 3.674 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cnc3ccccc32)cc1 ZINC000346787590 1025099478 /nfs/dbraw/zinc/09/94/78/1025099478.db2.gz ADWGRIPQNTXUCI-MRXNPFEDSA-N 2 1 345.450 3.881 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657319225 1025120937 /nfs/dbraw/zinc/12/09/37/1025120937.db2.gz VTZRVVQLDISGLP-UHFFFAOYSA-N 2 1 340.402 3.698 20 0 EHADMP Cc1nc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000346798871 1025122164 /nfs/dbraw/zinc/12/21/64/1025122164.db2.gz AWFQCUYRCLXKJA-UHFFFAOYSA-N 2 1 329.488 3.582 20 0 EHADMP CC(C)O[C@@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000428243308 1025158757 /nfs/dbraw/zinc/15/87/57/1025158757.db2.gz BHEOKMJATAYKFD-FQEVSTJZSA-N 2 1 341.499 3.841 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc4ccccc43)C2)CC1 ZINC000522708570 1025160783 /nfs/dbraw/zinc/16/07/83/1025160783.db2.gz DHJWBMWFLFDPDQ-QUCCMNQESA-N 2 1 337.511 3.613 20 0 EHADMP CCC(CC)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351271 1025184985 /nfs/dbraw/zinc/18/49/85/1025184985.db2.gz FTYQLAXWCQIXFG-UXHICEINSA-N 2 1 330.516 3.570 20 0 EHADMP CCC(CC)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351271 1025184996 /nfs/dbraw/zinc/18/49/96/1025184996.db2.gz FTYQLAXWCQIXFG-UXHICEINSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382908 1025209844 /nfs/dbraw/zinc/20/98/44/1025209844.db2.gz FYBUXNCZJZKDCO-SFTDATJTSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382908 1025209851 /nfs/dbraw/zinc/20/98/51/1025209851.db2.gz FYBUXNCZJZKDCO-SFTDATJTSA-N 2 1 344.543 3.818 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657337072 1025272080 /nfs/dbraw/zinc/27/20/80/1025272080.db2.gz HLMBPYUARGHFJL-KRWDZBQOSA-N 2 1 343.446 3.835 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657337072 1025272089 /nfs/dbraw/zinc/27/20/89/1025272089.db2.gz HLMBPYUARGHFJL-KRWDZBQOSA-N 2 1 343.446 3.835 20 0 EHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000192623550 1025281363 /nfs/dbraw/zinc/28/13/63/1025281363.db2.gz VRSKUDALRMFIBQ-RTWAWAEBSA-N 2 1 335.580 3.861 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168040725 1025335576 /nfs/dbraw/zinc/33/55/76/1025335576.db2.gz ORAKMKSMMIUNTD-BJLQDIEVSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040725 1025335590 /nfs/dbraw/zinc/33/55/90/1025335590.db2.gz ORAKMKSMMIUNTD-BJLQDIEVSA-N 2 1 330.516 3.929 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040725 1025335604 /nfs/dbraw/zinc/33/56/04/1025335604.db2.gz ORAKMKSMMIUNTD-BJLQDIEVSA-N 2 1 330.516 3.929 20 0 EHADMP Clc1cc2cccnc2c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414878984 1025397022 /nfs/dbraw/zinc/39/70/22/1025397022.db2.gz OFPINGFUNINHRL-UHFFFAOYSA-N 2 1 340.858 3.553 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4nonc4c3)CC[N@@H+]2C2CC2)cc1 ZINC000897990574 1033282854 /nfs/dbraw/zinc/28/28/54/1033282854.db2.gz WVGPRVLHASTKGL-UWJYYQICSA-N 2 1 348.450 3.681 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4nonc4c3)CC[N@H+]2C2CC2)cc1 ZINC000897990574 1033282858 /nfs/dbraw/zinc/28/28/58/1033282858.db2.gz WVGPRVLHASTKGL-UWJYYQICSA-N 2 1 348.450 3.681 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754593 1025465849 /nfs/dbraw/zinc/46/58/49/1025465849.db2.gz BFMZQKLGGBMOLQ-UKRRQHHQSA-N 2 1 332.394 3.926 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754593 1025465852 /nfs/dbraw/zinc/46/58/52/1025465852.db2.gz BFMZQKLGGBMOLQ-UKRRQHHQSA-N 2 1 332.394 3.926 20 0 EHADMP CC(C)CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292358 1025468939 /nfs/dbraw/zinc/46/89/39/1025468939.db2.gz ZPNVXKNFQNXDIC-MRXNPFEDSA-N 2 1 348.878 3.561 20 0 EHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Oc1cccnc1 ZINC000347090259 1025486581 /nfs/dbraw/zinc/48/65/81/1025486581.db2.gz FQJMMPRAOLIXPN-DFNIBXOVSA-N 2 1 337.467 3.897 20 0 EHADMP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000281800016 1025493690 /nfs/dbraw/zinc/49/36/90/1025493690.db2.gz WEALHMGLADAEHL-UHFFFAOYSA-N 2 1 345.874 3.716 20 0 EHADMP CO[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168042288 1025546599 /nfs/dbraw/zinc/54/65/99/1025546599.db2.gz YSQDDOHOAPOEBI-RNEMNMTCSA-N 2 1 330.516 3.975 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000436293292 1025556069 /nfs/dbraw/zinc/55/60/69/1025556069.db2.gz DMUOJEMLKPHLED-NEYJZJCJSA-N 2 1 348.506 3.798 20 0 EHADMP c1cc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000436291815 1025556479 /nfs/dbraw/zinc/55/64/79/1025556479.db2.gz ANVKHZOFTUMFLX-UHFFFAOYSA-N 2 1 330.501 3.635 20 0 EHADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436297494 1025561365 /nfs/dbraw/zinc/56/13/65/1025561365.db2.gz VRLLKIYIHQXDDT-QWFCFKBJSA-N 2 1 344.547 3.833 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442918992 1025597570 /nfs/dbraw/zinc/59/75/70/1025597570.db2.gz ILCGZIIIUPQKNW-INIZCTEOSA-N 2 1 346.906 3.703 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)[C@@H]1c1cccs1 ZINC000657375275 1025662547 /nfs/dbraw/zinc/66/25/47/1025662547.db2.gz XEDOVEOMTMJRMT-VQIMIIECSA-N 2 1 344.528 3.527 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)[C@@H]1c1cccs1 ZINC000657375275 1025662570 /nfs/dbraw/zinc/66/25/70/1025662570.db2.gz XEDOVEOMTMJRMT-VQIMIIECSA-N 2 1 344.528 3.527 20 0 EHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277525558 1025676816 /nfs/dbraw/zinc/67/68/16/1025676816.db2.gz PLWQDOYXZPRIGN-GOSISDBHSA-N 2 1 344.478 3.544 20 0 EHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277525558 1025676828 /nfs/dbraw/zinc/67/68/28/1025676828.db2.gz PLWQDOYXZPRIGN-GOSISDBHSA-N 2 1 344.478 3.544 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000443056833 1025693329 /nfs/dbraw/zinc/69/33/29/1025693329.db2.gz DITKEYMUODZMAK-OAHLLOKOSA-N 2 1 344.421 3.925 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000443075921 1025703207 /nfs/dbraw/zinc/70/32/07/1025703207.db2.gz RVWSRNLVHDBHQW-ZDUSSCGKSA-N 2 1 348.288 3.558 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000521854758 1025730461 /nfs/dbraw/zinc/73/04/61/1025730461.db2.gz JYBYRXSVYMGPSO-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000521854758 1025730481 /nfs/dbraw/zinc/73/04/81/1025730481.db2.gz JYBYRXSVYMGPSO-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121785442 1025773780 /nfs/dbraw/zinc/77/37/80/1025773780.db2.gz RQPPVCPMSCGBDS-UHFFFAOYSA-N 2 1 346.478 3.937 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407328 1025779778 /nfs/dbraw/zinc/77/97/78/1025779778.db2.gz PWDBRBSYXJWRTC-CQSZACIVSA-N 2 1 340.496 3.669 20 0 EHADMP C[C@H]1CC([N@H+]2CC[C@@H]3CCO[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044107 1025815359 /nfs/dbraw/zinc/81/53/59/1025815359.db2.gz FIDIUTVCIBJWEL-NEOGFGCTSA-N 2 1 328.500 3.539 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000474948163 1025930922 /nfs/dbraw/zinc/93/09/22/1025930922.db2.gz ZLFWTSVXOXPBMT-KSEOMHKRSA-N 2 1 335.495 3.780 20 0 EHADMP COc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168016386 1025969800 /nfs/dbraw/zinc/96/98/00/1025969800.db2.gz VPLGIXCSEQUAKP-IRXDYDNUSA-N 2 1 339.483 3.621 20 0 EHADMP Cc1c[nH+]ccc1NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000191978596 1026081909 /nfs/dbraw/zinc/08/19/09/1026081909.db2.gz QBILJRAJFITQAZ-CALCHBBNSA-N 2 1 325.456 3.611 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000474054083 1026096094 /nfs/dbraw/zinc/09/60/94/1026096094.db2.gz PYLKKRYECPYDER-QGLKVJOYSA-N 2 1 336.564 3.929 20 0 EHADMP Clc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389288359 1026121033 /nfs/dbraw/zinc/12/10/33/1026121033.db2.gz MWWLNUDDYNYBFC-TXEJJXNPSA-N 2 1 343.696 3.534 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000475132256 1026236059 /nfs/dbraw/zinc/23/60/59/1026236059.db2.gz XATLCJAPFTZMRK-UHFFFAOYSA-N 2 1 328.500 3.850 20 0 EHADMP c1ccc(CSCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000192695377 1026329152 /nfs/dbraw/zinc/32/91/52/1026329152.db2.gz UNGJOFKYAYZJBX-QUCCMNQESA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000192695377 1026329163 /nfs/dbraw/zinc/32/91/63/1026329163.db2.gz UNGJOFKYAYZJBX-QUCCMNQESA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000192695377 1026329176 /nfs/dbraw/zinc/32/91/76/1026329176.db2.gz UNGJOFKYAYZJBX-QUCCMNQESA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000192695377 1026329186 /nfs/dbraw/zinc/32/91/86/1026329186.db2.gz UNGJOFKYAYZJBX-QUCCMNQESA-N 2 1 330.541 3.869 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901493 1026386059 /nfs/dbraw/zinc/38/60/59/1026386059.db2.gz DHJUQSMWDGYVLK-GXTWGEPZSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901493 1026386072 /nfs/dbraw/zinc/38/60/72/1026386072.db2.gz DHJUQSMWDGYVLK-GXTWGEPZSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901493 1026386087 /nfs/dbraw/zinc/38/60/87/1026386087.db2.gz DHJUQSMWDGYVLK-GXTWGEPZSA-N 2 1 343.284 3.893 20 0 EHADMP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347358816 1026389058 /nfs/dbraw/zinc/38/90/58/1026389058.db2.gz NCTAKSFUSKKUMY-XCDJFROHSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H](C[C@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347358818 1026389157 /nfs/dbraw/zinc/38/91/57/1026389157.db2.gz NCTAKSFUSKKUMY-ZMWHVPEISA-N 2 1 328.500 3.729 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]CCCCOc3ccccc3)C2)cc1 ZINC000475278673 1026429161 /nfs/dbraw/zinc/42/91/61/1026429161.db2.gz JGTXSFQPXCNIKR-OAQYLSRUSA-N 2 1 338.495 3.957 20 0 EHADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918432 1026640615 /nfs/dbraw/zinc/64/06/15/1026640615.db2.gz PWVCVCZDFSJBPA-UYAOXDASSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918394 1026640813 /nfs/dbraw/zinc/64/08/13/1026640813.db2.gz PWVCVCZDFSJBPA-ICSRJNTNSA-N 2 1 338.495 3.738 20 0 EHADMP CC[C@@H](CCO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925243490 1026760250 /nfs/dbraw/zinc/76/02/50/1026760250.db2.gz HAFPXXAZFXGMKG-XSLAUPDRSA-N 2 1 330.516 3.570 20 0 EHADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000684956143 1026848553 /nfs/dbraw/zinc/84/85/53/1026848553.db2.gz ZPPVBQFXYWVBGK-PZJWPPBQSA-N 2 1 335.495 3.613 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000684956143 1026848561 /nfs/dbraw/zinc/84/85/61/1026848561.db2.gz ZPPVBQFXYWVBGK-PZJWPPBQSA-N 2 1 335.495 3.613 20 0 EHADMP CO[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168066484 1026900725 /nfs/dbraw/zinc/90/07/25/1026900725.db2.gz OXKDGWNFPALLLB-LXGFNABISA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168066484 1026900733 /nfs/dbraw/zinc/90/07/33/1026900733.db2.gz OXKDGWNFPALLLB-LXGFNABISA-N 2 1 330.516 3.927 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305710988 1026923309 /nfs/dbraw/zinc/92/33/09/1026923309.db2.gz FIGJPQYWGQHSNU-KZNAEPCWSA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305710988 1026923317 /nfs/dbraw/zinc/92/33/17/1026923317.db2.gz FIGJPQYWGQHSNU-KZNAEPCWSA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305710988 1026923324 /nfs/dbraw/zinc/92/33/24/1026923324.db2.gz FIGJPQYWGQHSNU-KZNAEPCWSA-N 2 1 336.545 3.901 20 0 EHADMP CC[N@H+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C(C)(C)C1 ZINC001168066658 1026938118 /nfs/dbraw/zinc/93/81/18/1026938118.db2.gz QUKRRZPAJFNBFN-RTBURBONSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193066971 1026949546 /nfs/dbraw/zinc/94/95/46/1026949546.db2.gz CYOKFQZRFXJGAT-UYAOXDASSA-N 2 1 338.536 3.506 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139042 1026950414 /nfs/dbraw/zinc/95/04/14/1026950414.db2.gz CJYLRHOBOUTJKO-HNAYVOBHSA-N 2 1 336.907 3.804 20 0 EHADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139042 1026950419 /nfs/dbraw/zinc/95/04/19/1026950419.db2.gz CJYLRHOBOUTJKO-HNAYVOBHSA-N 2 1 336.907 3.804 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657527689 1026979952 /nfs/dbraw/zinc/97/99/52/1026979952.db2.gz XKVCJMBCXATYKL-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527689 1026979962 /nfs/dbraw/zinc/97/99/62/1026979962.db2.gz XKVCJMBCXATYKL-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527689 1026979969 /nfs/dbraw/zinc/97/99/69/1026979969.db2.gz XKVCJMBCXATYKL-RLLQIKCJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000897471414 1027281115 /nfs/dbraw/zinc/28/11/15/1027281115.db2.gz MBHFPBKRVRWPOP-ZDUSSCGKSA-N 2 1 337.305 3.769 20 0 EHADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000453056105 1027301655 /nfs/dbraw/zinc/30/16/55/1027301655.db2.gz FSYAXIYUPPDOBH-ROUUACIJSA-N 2 1 338.499 3.572 20 0 EHADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000273192388 1027303018 /nfs/dbraw/zinc/30/30/18/1027303018.db2.gz NSSHVLSKSYSEMS-HNNXBMFYSA-N 2 1 344.528 3.752 20 0 EHADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000273192388 1027303031 /nfs/dbraw/zinc/30/30/31/1027303031.db2.gz NSSHVLSKSYSEMS-HNNXBMFYSA-N 2 1 344.528 3.752 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000453062384 1027314424 /nfs/dbraw/zinc/31/44/24/1027314424.db2.gz MKIDIBQYSBLGSG-JYBIWHBTSA-N 2 1 348.918 3.647 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC001307527853 1027320053 /nfs/dbraw/zinc/32/00/53/1027320053.db2.gz AFMJCIRGENUNBA-HNNXBMFYSA-N 2 1 336.442 3.889 20 0 EHADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453146185 1027411592 /nfs/dbraw/zinc/41/15/92/1027411592.db2.gz SRBWFVGMIVJASA-KGWSWXIGSA-N 2 1 342.527 3.570 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453131182 1027432845 /nfs/dbraw/zinc/43/28/45/1027432845.db2.gz ZHQCKLXOFQLEDG-FVTFTPSCSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)C3CCC3)CC2)oc1C ZINC000453132116 1027434397 /nfs/dbraw/zinc/43/43/97/1027434397.db2.gz XMBRECCNBSMCJV-FQEVSTJZSA-N 2 1 331.504 3.672 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296024 1027435971 /nfs/dbraw/zinc/43/59/71/1027435971.db2.gz WLORXNAPMWOENO-GDBMZVCRSA-N 2 1 344.890 3.665 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000273503225 1027462785 /nfs/dbraw/zinc/46/27/85/1027462785.db2.gz ZDVSPXYVXQRQDN-SOLBZPMBSA-N 2 1 329.513 3.747 20 0 EHADMP Clc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420340006 1027473848 /nfs/dbraw/zinc/47/38/48/1027473848.db2.gz MIOJDACNTUWHCU-JKSUJKDBSA-N 2 1 345.874 3.817 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331920 1027482287 /nfs/dbraw/zinc/48/22/87/1027482287.db2.gz CHAMPUPGIJEFAN-GJZGRUSLSA-N 2 1 331.485 3.533 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000501778040 1027531470 /nfs/dbraw/zinc/53/14/70/1027531470.db2.gz SLTLMZHFNUDKPT-UHFFFAOYSA-N 2 1 340.458 3.535 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237478813 1027569551 /nfs/dbraw/zinc/56/95/51/1027569551.db2.gz QAHJIUQZIASCQC-UZLBHIALSA-N 2 1 337.467 3.557 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595823 1027570771 /nfs/dbraw/zinc/57/07/71/1027570771.db2.gz KMYIRHUVFQZBQW-YWZLYKJASA-N 2 1 344.886 3.757 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000459329965 1027642197 /nfs/dbraw/zinc/64/21/97/1027642197.db2.gz RZNTZIZXCHVOEQ-UDKICSLYSA-N 2 1 342.527 3.611 20 0 EHADMP CC(C)OC1CC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000582790770 1027717646 /nfs/dbraw/zinc/71/76/46/1027717646.db2.gz FCRGEHHJJJOAOF-MWXLCCTBSA-N 2 1 330.516 3.834 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414656174 1027727930 /nfs/dbraw/zinc/72/79/30/1027727930.db2.gz MSPUGVFGFBPKSP-QGZVFWFLSA-N 2 1 340.515 3.601 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414656174 1027727948 /nfs/dbraw/zinc/72/79/48/1027727948.db2.gz MSPUGVFGFBPKSP-QGZVFWFLSA-N 2 1 340.515 3.601 20 0 EHADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)[C@@H](C)C2CC2)cc1 ZINC000342866316 1027747498 /nfs/dbraw/zinc/74/74/98/1027747498.db2.gz ZICMVGNTPJFNIR-INIZCTEOSA-N 2 1 327.472 3.891 20 0 EHADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)[C@@H](C)C2CC2)cc1 ZINC000342866316 1027747515 /nfs/dbraw/zinc/74/75/15/1027747515.db2.gz ZICMVGNTPJFNIR-INIZCTEOSA-N 2 1 327.472 3.891 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665802 1027773311 /nfs/dbraw/zinc/77/33/11/1027773311.db2.gz VYZDOIKJWXDPCD-CRAIPNDOSA-N 2 1 328.431 3.574 20 0 EHADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)Nc1ccccc1-c1ccccc1 ZINC000422637615 1027833657 /nfs/dbraw/zinc/83/36/57/1027833657.db2.gz PBFNJJXDIUIFDQ-UHFFFAOYSA-N 2 1 349.478 3.510 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422710012 1027868191 /nfs/dbraw/zinc/86/81/91/1027868191.db2.gz LKIWPFLLLMQFPC-WIYYLYMNSA-N 2 1 329.532 3.540 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000414687008 1027872333 /nfs/dbraw/zinc/87/23/33/1027872333.db2.gz GXRWAFLJHPPCNU-KEYYUXOJSA-N 2 1 337.305 3.974 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000339072804 1027886578 /nfs/dbraw/zinc/88/65/78/1027886578.db2.gz ZQZYVOPHEBGGFR-MSOLQXFVSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000339072804 1027886600 /nfs/dbraw/zinc/88/66/00/1027886600.db2.gz ZQZYVOPHEBGGFR-MSOLQXFVSA-N 2 1 341.430 3.729 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000339068132 1027895644 /nfs/dbraw/zinc/89/56/44/1027895644.db2.gz OPOUGFQVHHWFSO-UHOSZYNNSA-N 2 1 331.504 3.611 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000339068132 1027895650 /nfs/dbraw/zinc/89/56/50/1027895650.db2.gz OPOUGFQVHHWFSO-UHOSZYNNSA-N 2 1 331.504 3.611 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000339068132 1027895659 /nfs/dbraw/zinc/89/56/59/1027895659.db2.gz OPOUGFQVHHWFSO-UHOSZYNNSA-N 2 1 331.504 3.611 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1Cl ZINC000422748314 1027916960 /nfs/dbraw/zinc/91/69/60/1027916960.db2.gz UAFHOUHXLKPUNF-IFXJQAMLSA-N 2 1 346.906 3.881 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422762501 1027943244 /nfs/dbraw/zinc/94/32/44/1027943244.db2.gz IFQWJRHZZCUPNR-WFXMLNOXSA-N 2 1 338.451 3.889 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862046 1027998590 /nfs/dbraw/zinc/99/85/90/1027998590.db2.gz NHFDURAHNAEREB-FCGDIQPGSA-N 2 1 335.561 3.641 20 0 EHADMP CC[C@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422880591 1028013562 /nfs/dbraw/zinc/01/35/62/1028013562.db2.gz WYUDERZHQAMCNN-DNVCBOLYSA-N 2 1 325.456 3.555 20 0 EHADMP FC(F)Oc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422938963 1028066459 /nfs/dbraw/zinc/06/64/59/1028066459.db2.gz FGYQVEOZTLAODE-SJLPKXTDSA-N 2 1 332.394 3.871 20 0 EHADMP Cc1sc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422942219 1028069527 /nfs/dbraw/zinc/06/95/27/1028069527.db2.gz JCGBZSKCXOJOAI-DZGCQCFKSA-N 2 1 335.904 3.989 20 0 EHADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422963141 1028075847 /nfs/dbraw/zinc/07/58/47/1028075847.db2.gz HQTBLRKONPMVJQ-VAMGGRTRSA-N 2 1 343.515 3.803 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000502288104 1028088086 /nfs/dbraw/zinc/08/80/86/1028088086.db2.gz PFJCIVHSJUZVSD-MSOLQXFVSA-N 2 1 348.531 3.653 20 0 EHADMP C[C@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422982351 1028108609 /nfs/dbraw/zinc/10/86/09/1028108609.db2.gz QRBHKEZDVMDKSI-MGPUTAFESA-N 2 1 325.456 3.629 20 0 EHADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423059406 1028153709 /nfs/dbraw/zinc/15/37/09/1028153709.db2.gz FPGNOPAWGDRXRT-IEBWSBKVSA-N 2 1 346.833 3.825 20 0 EHADMP Fc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000134943983 1028159328 /nfs/dbraw/zinc/15/93/28/1028159328.db2.gz ITBXEJISCAYRNP-FOIQADDNSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000134943983 1028159336 /nfs/dbraw/zinc/15/93/36/1028159336.db2.gz ITBXEJISCAYRNP-FOIQADDNSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000134943983 1028159346 /nfs/dbraw/zinc/15/93/46/1028159346.db2.gz ITBXEJISCAYRNP-FOIQADDNSA-N 2 1 339.458 3.823 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000423100138 1028182401 /nfs/dbraw/zinc/18/24/01/1028182401.db2.gz GHQHUQJAZFBZCG-BFUOFWGJSA-N 2 1 345.874 3.966 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1nccn1-c1ccccc1 ZINC000423119293 1028187356 /nfs/dbraw/zinc/18/73/56/1028187356.db2.gz DMFRQEKXHHWDIM-IJXRJRJASA-N 2 1 338.499 3.834 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000161605494 1028203957 /nfs/dbraw/zinc/20/39/57/1028203957.db2.gz ZNPHUQYVBZGXHW-BBRMVZONSA-N 2 1 326.406 3.809 20 0 EHADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423149281 1028208827 /nfs/dbraw/zinc/20/88/27/1028208827.db2.gz AJZXIKIZCAMCIW-RRFJBIMHSA-N 2 1 327.394 3.501 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423149454 1028210172 /nfs/dbraw/zinc/21/01/72/1028210172.db2.gz ARXXPDLOHASIKJ-CTWRKMMKSA-N 2 1 342.527 3.707 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503926231 1028218886 /nfs/dbraw/zinc/21/88/86/1028218886.db2.gz MXEQOBFETRJLKF-DZOHQFGASA-N 2 1 338.442 3.647 20 0 EHADMP CCCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000414719727 1028226768 /nfs/dbraw/zinc/22/67/68/1028226768.db2.gz WGDIRGLOUOPIKN-GOSISDBHSA-N 2 1 334.504 3.838 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCCC[C@@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000414720728 1028244428 /nfs/dbraw/zinc/24/44/28/1028244428.db2.gz CXVADPWIACQMKT-GBESFXJTSA-N 2 1 344.547 3.673 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc2c(s1)CCCC2 ZINC000423182127 1028250212 /nfs/dbraw/zinc/25/02/12/1028250212.db2.gz DUXLZQWVUVKWDG-OAHLLOKOSA-N 2 1 329.513 3.852 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423181428 1028250496 /nfs/dbraw/zinc/25/04/96/1028250496.db2.gz CSGKLDLBRZURNQ-GOSISDBHSA-N 2 1 345.874 3.718 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423189011 1028258714 /nfs/dbraw/zinc/25/87/14/1028258714.db2.gz OINSEGAKVRRELU-OAHLLOKOSA-N 2 1 349.425 3.822 20 0 EHADMP Clc1cccc2c1CCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193656 1028261162 /nfs/dbraw/zinc/26/11/62/1028261162.db2.gz XQWDLSBFLLZGBX-LJQANCHMSA-N 2 1 329.875 3.882 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423202096 1028270659 /nfs/dbraw/zinc/27/06/59/1028270659.db2.gz AMKOOLOUHJJSTI-FOIQADDNSA-N 2 1 328.431 3.513 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423202099 1028271483 /nfs/dbraw/zinc/27/14/83/1028271483.db2.gz AMKOOLOUHJJSTI-YWZLYKJASA-N 2 1 328.431 3.513 20 0 EHADMP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423221433 1028287039 /nfs/dbraw/zinc/28/70/39/1028287039.db2.gz ZVQKSPVIDLBNJA-ZBEGNZNMSA-N 2 1 341.268 3.629 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C3CC3)s2)cc1 ZINC000423278664 1028340445 /nfs/dbraw/zinc/34/04/45/1028340445.db2.gz QBUJUIHMTQRFML-MEDUHNTESA-N 2 1 331.485 3.515 20 0 EHADMP C[C@@H](C[NH3+])CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423306875 1028344832 /nfs/dbraw/zinc/34/48/32/1028344832.db2.gz MGLMNARTARGTOO-PXNSSMCTSA-N 2 1 335.511 3.563 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(CSC)CC2)cc1 ZINC000423345662 1028357465 /nfs/dbraw/zinc/35/74/65/1028357465.db2.gz YAOFWMNKPZQXFH-FCUIKFHKSA-N 2 1 348.556 3.652 20 0 EHADMP Cc1ccc(C(=O)CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000161920086 1028360470 /nfs/dbraw/zinc/36/04/70/1028360470.db2.gz ISLHGJSHPMLAJZ-IEBWSBKVSA-N 2 1 328.500 3.810 20 0 EHADMP Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCS2 ZINC000423374594 1028380103 /nfs/dbraw/zinc/38/01/03/1028380103.db2.gz XFZGZJZLEZYODA-OCCSQVGLSA-N 2 1 341.318 3.718 20 0 EHADMP O[C@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979451 1028402558 /nfs/dbraw/zinc/40/25/58/1028402558.db2.gz MBZQWFAKEAPMGT-VQTJNVASSA-N 2 1 334.479 3.590 20 0 EHADMP O[C@@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979539 1028402956 /nfs/dbraw/zinc/40/29/56/1028402956.db2.gz MBZQWFAKEAPMGT-PMACEKPBSA-N 2 1 334.479 3.590 20 0 EHADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc(Cl)c1O ZINC000459379778 1028408104 /nfs/dbraw/zinc/40/81/04/1028408104.db2.gz RVFODJRMCVHLIH-ZFWWWQNUSA-N 2 1 340.895 3.749 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000423374965 1028412540 /nfs/dbraw/zinc/41/25/40/1028412540.db2.gz KHVYEWSZYRYSRP-BQFCYCMXSA-N 2 1 326.488 3.589 20 0 EHADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168265264 1028423091 /nfs/dbraw/zinc/42/30/91/1028423091.db2.gz QDQQDNHGXWCBAS-DWLFOUALSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168265264 1028423096 /nfs/dbraw/zinc/42/30/96/1028423096.db2.gz QDQQDNHGXWCBAS-DWLFOUALSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168265264 1028423103 /nfs/dbraw/zinc/42/31/03/1028423103.db2.gz QDQQDNHGXWCBAS-DWLFOUALSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000339245138 1028431603 /nfs/dbraw/zinc/43/16/03/1028431603.db2.gz CMAZFUAKIWEZMZ-GOSISDBHSA-N 2 1 343.515 3.876 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423505806 1028469153 /nfs/dbraw/zinc/46/91/53/1028469153.db2.gz GRWXUUYWPFQWAU-CJNGLKHVSA-N 2 1 334.460 3.583 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cn1 ZINC000423483260 1028474099 /nfs/dbraw/zinc/47/40/99/1028474099.db2.gz YSIMPVPCRGKZJR-KFKAGJAMSA-N 2 1 345.437 3.794 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423520156 1028496158 /nfs/dbraw/zinc/49/61/58/1028496158.db2.gz DUPJPOYZEAYMKZ-DEEYCZAXSA-N 2 1 344.499 3.508 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1Br ZINC000423535301 1028504129 /nfs/dbraw/zinc/50/41/29/1028504129.db2.gz XJLSMDPZKKGTRM-ABAIWWIYSA-N 2 1 341.293 3.626 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000423535301 1028504132 /nfs/dbraw/zinc/50/41/32/1028504132.db2.gz XJLSMDPZKKGTRM-ABAIWWIYSA-N 2 1 341.293 3.626 20 0 EHADMP CC1CCN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000523703228 1028555820 /nfs/dbraw/zinc/55/58/20/1028555820.db2.gz DKQMNZRFGHQJAR-KRWDZBQOSA-N 2 1 348.560 3.777 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2 ZINC000162291068 1028556114 /nfs/dbraw/zinc/55/61/14/1028556114.db2.gz IJVYUQWKKCANDK-FQEVSTJZSA-N 2 1 336.483 3.648 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000246967923 1028720758 /nfs/dbraw/zinc/72/07/58/1028720758.db2.gz JENVDAAQCMJVOL-QLFBSQMISA-N 2 1 326.431 3.505 20 0 EHADMP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771129 1028754780 /nfs/dbraw/zinc/75/47/80/1028754780.db2.gz QDAUIXZTSJKCHZ-IYBDPMFKSA-N 2 1 346.421 3.873 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C(C)C)c(F)c1 ZINC000421826876 1028813905 /nfs/dbraw/zinc/81/39/05/1028813905.db2.gz VDSIBECJRZJHLN-IFXJQAMLSA-N 2 1 333.451 3.962 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](c3ccco3)N(C)C)CC2)C1 ZINC000248066486 1028844787 /nfs/dbraw/zinc/84/47/87/1028844787.db2.gz ZPXCFVSPXQTZFE-NZSAHSFTSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](c3ccco3)[NH+](C)C)CC2)C1 ZINC000248066486 1028844800 /nfs/dbraw/zinc/84/48/00/1028844800.db2.gz ZPXCFVSPXQTZFE-NZSAHSFTSA-N 2 1 333.520 3.515 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162501929 1028889519 /nfs/dbraw/zinc/88/95/19/1028889519.db2.gz MEPGYOOEYIQWPA-NSHDSACASA-N 2 1 329.341 3.775 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156204 1028922216 /nfs/dbraw/zinc/92/22/16/1028922216.db2.gz UAUOHRSGWFOJMJ-UHFFFAOYSA-N 2 1 345.531 3.801 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156204 1028922234 /nfs/dbraw/zinc/92/22/34/1028922234.db2.gz UAUOHRSGWFOJMJ-UHFFFAOYSA-N 2 1 345.531 3.801 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2sc(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000248742578 1028943610 /nfs/dbraw/zinc/94/36/10/1028943610.db2.gz QZNHEFOOWLMMBO-JQWIXIFHSA-N 2 1 335.439 3.632 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC000424324046 1028971052 /nfs/dbraw/zinc/97/10/52/1028971052.db2.gz WPZZMTGEZDBYRW-BGOZWBLRSA-N 2 1 342.527 3.833 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC000424324046 1028971067 /nfs/dbraw/zinc/97/10/67/1028971067.db2.gz WPZZMTGEZDBYRW-BGOZWBLRSA-N 2 1 342.527 3.833 20 0 EHADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000245689388 1029010479 /nfs/dbraw/zinc/01/04/79/1029010479.db2.gz KBWJOKMVOUEWCU-YSTOQKLRSA-N 2 1 342.508 3.567 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]([NH3+])C(C)C)o1 ZINC000414787332 1029076264 /nfs/dbraw/zinc/07/62/64/1029076264.db2.gz CECLNOHYWDHXDO-GOSISDBHSA-N 2 1 338.455 3.514 20 0 EHADMP c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790339 1029084922 /nfs/dbraw/zinc/08/49/22/1029084922.db2.gz ZQAWSFFIPFGRDR-DLBZAZTESA-N 2 1 327.497 3.632 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000261624268 1029117814 /nfs/dbraw/zinc/11/78/14/1029117814.db2.gz CKARQJWFHIUNDH-RYQLBKOJSA-N 2 1 327.497 3.678 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000261624268 1029117825 /nfs/dbraw/zinc/11/78/25/1029117825.db2.gz CKARQJWFHIUNDH-RYQLBKOJSA-N 2 1 327.497 3.678 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@@H]1O ZINC000245715284 1029119738 /nfs/dbraw/zinc/11/97/38/1029119738.db2.gz NYNZXPZNPWWMNY-BIRZXAFVSA-N 2 1 342.527 3.713 20 0 EHADMP CC1(C)[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(F)F ZINC000657739599 1029123946 /nfs/dbraw/zinc/12/39/46/1029123946.db2.gz SZONIDQXRBXMAI-KRWDZBQOSA-N 2 1 340.433 3.714 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000282052669 1029224687 /nfs/dbraw/zinc/22/46/87/1029224687.db2.gz GLYGFGJETCGFNH-HZEGPAAWSA-N 2 1 330.516 3.692 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000282052669 1029224691 /nfs/dbraw/zinc/22/46/91/1029224691.db2.gz GLYGFGJETCGFNH-HZEGPAAWSA-N 2 1 330.516 3.692 20 0 EHADMP CC[NH+](CC)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245749241 1029238410 /nfs/dbraw/zinc/23/84/10/1029238410.db2.gz TUYFTQAAVDTFHH-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000414810530 1029294070 /nfs/dbraw/zinc/29/40/70/1029294070.db2.gz XKAZAGJQCPVWRZ-UHFFFAOYSA-N 2 1 348.874 3.755 20 0 EHADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)OCCCO2 ZINC000161829255 1029296641 /nfs/dbraw/zinc/29/66/41/1029296641.db2.gz KADGZLGNLWRNBZ-UHFFFAOYSA-N 2 1 344.499 3.735 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788642 1029298860 /nfs/dbraw/zinc/29/88/60/1029298860.db2.gz ZWQMIHPEUNCSEF-ACDBMABISA-N 2 1 339.483 3.619 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000414813534 1029310031 /nfs/dbraw/zinc/31/00/31/1029310031.db2.gz TYHXYILCHBAZGY-XGHQBKJUSA-N 3 1 329.532 3.839 20 0 EHADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000319108600 1029348109 /nfs/dbraw/zinc/34/81/09/1029348109.db2.gz YQKNMFBESHBPLS-HXUWFJFHSA-N 2 1 330.516 3.838 20 0 EHADMP C(=C\C[N@@H+](Cc1cccnc1)C1CC1)\C[NH+](Cc1cccnc1)C1CC1 ZINC000255547763 1029370480 /nfs/dbraw/zinc/37/04/80/1029370480.db2.gz QUTVZGPPBGMEBK-UPHRSURJSA-N 2 1 348.494 3.662 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897537038 1029425133 /nfs/dbraw/zinc/42/51/33/1029425133.db2.gz JHXOFZWCJSKVBH-NJDAHSKKSA-N 2 1 342.527 3.714 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897537038 1029425146 /nfs/dbraw/zinc/42/51/46/1029425146.db2.gz JHXOFZWCJSKVBH-NJDAHSKKSA-N 2 1 342.527 3.714 20 0 EHADMP [NH3+][C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000414827991 1029456121 /nfs/dbraw/zinc/45/61/21/1029456121.db2.gz ICRHINVJWYFRKL-FQEVSTJZSA-N 2 1 343.902 3.594 20 0 EHADMP Cc1cnccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272430912 1029458587 /nfs/dbraw/zinc/45/85/87/1029458587.db2.gz QPLDUMTWTLTTKU-KOUNCHBCSA-N 2 1 335.495 3.718 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125382341 1029505142 /nfs/dbraw/zinc/50/51/42/1029505142.db2.gz NEZNCSFOCCEYTQ-MRXNPFEDSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608615 1029531843 /nfs/dbraw/zinc/53/18/43/1029531843.db2.gz ZPKJLHKBBFBVFU-NVXWUHKLSA-N 2 1 329.875 3.735 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608615 1029531857 /nfs/dbraw/zinc/53/18/57/1029531857.db2.gz ZPKJLHKBBFBVFU-NVXWUHKLSA-N 2 1 329.875 3.735 20 0 EHADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000155418261 1029533496 /nfs/dbraw/zinc/53/34/96/1029533496.db2.gz KPZOVZIEICMLJJ-UHFFFAOYSA-N 2 1 329.488 3.532 20 0 EHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414840957 1029544943 /nfs/dbraw/zinc/54/49/43/1029544943.db2.gz MUPLSCPDWPNJTK-ROUUACIJSA-N 2 1 334.504 3.522 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272478 1029768171 /nfs/dbraw/zinc/76/81/71/1029768171.db2.gz JFZOYKXVHPMJSK-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272478 1029768177 /nfs/dbraw/zinc/76/81/77/1029768177.db2.gz JFZOYKXVHPMJSK-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272478 1029768183 /nfs/dbraw/zinc/76/81/83/1029768183.db2.gz JFZOYKXVHPMJSK-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(OCC(F)(F)F)c1 ZINC000525272478 1029768192 /nfs/dbraw/zinc/76/81/92/1029768192.db2.gz JFZOYKXVHPMJSK-MRXNPFEDSA-N 2 1 344.421 3.934 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CCCC1 ZINC000446751651 1029782412 /nfs/dbraw/zinc/78/24/12/1029782412.db2.gz DKONULJEJFZGPV-GOSISDBHSA-N 2 1 331.435 3.615 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446823687 1029808955 /nfs/dbraw/zinc/80/89/55/1029808955.db2.gz OPWRMPMGCAHMPV-YLJYHZDGSA-N 2 1 329.488 3.659 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000193317199 1029820351 /nfs/dbraw/zinc/82/03/51/1029820351.db2.gz GNZQKGLCOROMBY-NXEWRWPSSA-N 2 1 328.500 3.729 20 0 EHADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453198835 1029898555 /nfs/dbraw/zinc/89/85/55/1029898555.db2.gz ONVPCQCOURRWIO-PPGORRQASA-N 2 1 342.527 3.570 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000481744167 1029904389 /nfs/dbraw/zinc/90/43/89/1029904389.db2.gz YZPYJYUFNFNTDH-SWLSCSKDSA-N 2 1 331.287 3.692 20 0 EHADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)on1 ZINC000453219599 1029928399 /nfs/dbraw/zinc/92/83/99/1029928399.db2.gz WHDNWJAFXDNZTI-NJDAHSKKSA-N 2 1 339.483 3.558 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@@H+]1C ZINC000453236144 1029957625 /nfs/dbraw/zinc/95/76/25/1029957625.db2.gz KITJFNKOIXIUAL-OCCSQVGLSA-N 2 1 328.378 3.647 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC000453236144 1029957647 /nfs/dbraw/zinc/95/76/47/1029957647.db2.gz KITJFNKOIXIUAL-OCCSQVGLSA-N 2 1 328.378 3.647 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC[C@@H]1CCC[NH+]1C ZINC000120368203 1029972845 /nfs/dbraw/zinc/97/28/45/1029972845.db2.gz KDDNPIODPQZJCB-SFHVURJKSA-N 2 1 327.472 3.690 20 0 EHADMP C[NH+](CCCc1cc(-c2ccccc2)no1)CC[C@@H]1CCC[N@@H+]1C ZINC000120368203 1029972860 /nfs/dbraw/zinc/97/28/60/1029972860.db2.gz KDDNPIODPQZJCB-SFHVURJKSA-N 2 1 327.472 3.690 20 0 EHADMP C[NH+](CCCc1cc(-c2ccccc2)no1)CC[C@@H]1CCC[N@H+]1C ZINC000120368203 1029972874 /nfs/dbraw/zinc/97/28/74/1029972874.db2.gz KDDNPIODPQZJCB-SFHVURJKSA-N 2 1 327.472 3.690 20 0 EHADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000650709132 1030023208 /nfs/dbraw/zinc/02/32/08/1030023208.db2.gz FIFIDJCAQXHNEQ-LRDDRELGSA-N 2 1 330.806 3.502 20 0 EHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000650709132 1030023228 /nfs/dbraw/zinc/02/32/28/1030023228.db2.gz FIFIDJCAQXHNEQ-LRDDRELGSA-N 2 1 330.806 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000120639742 1030053312 /nfs/dbraw/zinc/05/33/12/1030053312.db2.gz YZPYJYUFNFNTDH-DOMZBBRYSA-N 2 1 331.287 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000453328490 1030058194 /nfs/dbraw/zinc/05/81/94/1030058194.db2.gz UAIBEOBSXYPKQK-VXPPCLGGSA-N 2 1 337.305 3.781 20 0 EHADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667969988 1030064496 /nfs/dbraw/zinc/06/44/96/1030064496.db2.gz ZHIDXMLSFXTJKC-KKSFZXQISA-N 2 1 348.450 3.859 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453308375 1030079542 /nfs/dbraw/zinc/07/95/42/1030079542.db2.gz LMSWWMXUKAHXDD-MDNUFGMLSA-N 2 1 349.522 3.965 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC[N@H+]1C ZINC000531940195 1030107321 /nfs/dbraw/zinc/10/73/21/1030107321.db2.gz TXGHJLJYIOULNH-LPHOPBHVSA-N 2 1 328.456 3.569 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000650716089 1030123629 /nfs/dbraw/zinc/12/36/29/1030123629.db2.gz RMFWRWKHKHRINW-QMMLZNLJSA-N 2 1 335.495 3.666 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000650716089 1030123635 /nfs/dbraw/zinc/12/36/35/1030123635.db2.gz RMFWRWKHKHRINW-QMMLZNLJSA-N 2 1 335.495 3.666 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928149 1030126665 /nfs/dbraw/zinc/12/66/65/1030126665.db2.gz QXJXDYPRQNTUQI-LSDHHAIUSA-N 2 1 328.422 3.958 20 0 EHADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000481936573 1030131242 /nfs/dbraw/zinc/13/12/42/1030131242.db2.gz DBZNIZKANODEOY-SUMWQHHRSA-N 2 1 344.421 3.922 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(C[NH3+])cc1F ZINC000650718052 1030139457 /nfs/dbraw/zinc/13/94/57/1030139457.db2.gz WBMHXLQTQKUUED-UHFFFAOYSA-N 2 1 343.490 3.532 20 0 EHADMP Cc1ncccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771583 1030148924 /nfs/dbraw/zinc/14/89/24/1030148924.db2.gz DFQPAMBOLIBHAT-OAQYLSRUSA-N 2 1 335.495 3.782 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C3)cc1 ZINC000453389111 1030188455 /nfs/dbraw/zinc/18/84/55/1030188455.db2.gz WTLAFEFOROJXRA-MXEMCNAFSA-N 2 1 328.500 3.588 20 0 EHADMP Fc1ccc(F)c(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453374796 1030194013 /nfs/dbraw/zinc/19/40/13/1030194013.db2.gz UDZVPUMTMITQKK-RTBURBONSA-N 2 1 334.454 3.846 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000650723335 1030210036 /nfs/dbraw/zinc/21/00/36/1030210036.db2.gz LTPFDTSKAVBTNM-YFVAEKQCSA-N 2 1 340.467 3.807 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(CC)cc2)[C@H](C)C1 ZINC000482153736 1030232841 /nfs/dbraw/zinc/23/28/41/1030232841.db2.gz BFSSMMCSTINIIG-WIYYLYMNSA-N 2 1 332.532 3.518 20 0 EHADMP CCc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482155186 1030233094 /nfs/dbraw/zinc/23/30/94/1030233094.db2.gz HOCNJZSEKABONG-OALUTQOASA-N 2 1 345.531 3.678 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000278340076 1030259017 /nfs/dbraw/zinc/25/90/17/1030259017.db2.gz GTHPKVNCFCSFHO-KXBFYZLASA-N 2 1 327.447 3.529 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000278340076 1030259026 /nfs/dbraw/zinc/25/90/26/1030259026.db2.gz GTHPKVNCFCSFHO-KXBFYZLASA-N 2 1 327.447 3.529 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000453434526 1030291889 /nfs/dbraw/zinc/29/18/89/1030291889.db2.gz UHJMIOSBUUCLFO-AKIFATBCSA-N 2 1 349.522 3.823 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000453434525 1030291930 /nfs/dbraw/zinc/29/19/30/1030291930.db2.gz UHJMIOSBUUCLFO-ACIOBRDBSA-N 2 1 349.522 3.823 20 0 EHADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000278349242 1030303144 /nfs/dbraw/zinc/30/31/44/1030303144.db2.gz YSEVCYYZGBGIAC-OAHLLOKOSA-N 2 1 342.439 3.513 20 0 EHADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588521 1030322235 /nfs/dbraw/zinc/32/22/35/1030322235.db2.gz VHWFCJZSOWRCHD-CIQXWFTPSA-N 2 1 335.495 3.798 20 0 EHADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(Br)c1 ZINC000453604307 1030393475 /nfs/dbraw/zinc/39/34/75/1030393475.db2.gz ZAUGLWPPOLPJNU-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C\c1ccc(Cl)cc1 ZINC000526056988 1030398135 /nfs/dbraw/zinc/39/81/35/1030398135.db2.gz NDBRGAJXSKGDSB-ROOWYXCHSA-N 2 1 334.891 3.537 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C\c1ccc(Cl)cc1 ZINC000526056988 1030398155 /nfs/dbraw/zinc/39/81/55/1030398155.db2.gz NDBRGAJXSKGDSB-ROOWYXCHSA-N 2 1 334.891 3.537 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226272 1030492399 /nfs/dbraw/zinc/49/23/99/1030492399.db2.gz SFHIIMRPVIWQFZ-ZIAGYGMSSA-N 2 1 330.394 3.620 20 0 EHADMP COc1ccc(CC[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001279634870 1030601481 /nfs/dbraw/zinc/60/14/81/1030601481.db2.gz AAFFKWQLHOIDDK-UHFFFAOYSA-N 2 1 328.500 3.578 20 0 EHADMP COc1ccc(CC[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001279634870 1030601492 /nfs/dbraw/zinc/60/14/92/1030601492.db2.gz AAFFKWQLHOIDDK-UHFFFAOYSA-N 2 1 328.500 3.578 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000482635903 1030611111 /nfs/dbraw/zinc/61/11/11/1030611111.db2.gz UYFFRRZELNVRNT-UNWVZKJWSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000482635903 1030611129 /nfs/dbraw/zinc/61/11/29/1030611129.db2.gz UYFFRRZELNVRNT-UNWVZKJWSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668098330 1030635532 /nfs/dbraw/zinc/63/55/32/1030635532.db2.gz FJMGFFSIUGQHDI-HXUWFJFHSA-N 2 1 336.414 3.570 20 0 EHADMP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668098330 1030635554 /nfs/dbraw/zinc/63/55/54/1030635554.db2.gz FJMGFFSIUGQHDI-HXUWFJFHSA-N 2 1 336.414 3.570 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660068 1030649205 /nfs/dbraw/zinc/64/92/05/1030649205.db2.gz FODPKLKAZZBPTK-GOSISDBHSA-N 2 1 330.451 3.522 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660068 1030649207 /nfs/dbraw/zinc/64/92/07/1030649207.db2.gz FODPKLKAZZBPTK-GOSISDBHSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660068 1030649209 /nfs/dbraw/zinc/64/92/09/1030649209.db2.gz FODPKLKAZZBPTK-GOSISDBHSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093660068 1030649211 /nfs/dbraw/zinc/64/92/11/1030649211.db2.gz FODPKLKAZZBPTK-GOSISDBHSA-N 2 1 330.451 3.522 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCc1ccccn1 ZINC000527108860 1030650541 /nfs/dbraw/zinc/65/05/41/1030650541.db2.gz CXCPUVBUMJEXCT-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCc1ccccn1 ZINC000527108860 1030650546 /nfs/dbraw/zinc/65/05/46/1030650546.db2.gz CXCPUVBUMJEXCT-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP C[NH+](CCc1ccccn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000527108860 1030650550 /nfs/dbraw/zinc/65/05/50/1030650550.db2.gz CXCPUVBUMJEXCT-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP C[NH+](CCc1ccccn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000527108860 1030650555 /nfs/dbraw/zinc/65/05/55/1030650555.db2.gz CXCPUVBUMJEXCT-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP Fc1ccc(F)c(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282036618 1030658844 /nfs/dbraw/zinc/65/88/44/1030658844.db2.gz LFPVPZCOTDWZFM-CQSZACIVSA-N 2 1 331.410 3.877 20 0 EHADMP CCC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550881706 1030756835 /nfs/dbraw/zinc/75/68/35/1030756835.db2.gz CABKRJDLHPSJBI-CKHPTIKVSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000130498641 1030769731 /nfs/dbraw/zinc/76/97/31/1030769731.db2.gz PSNVXUUDXSZDHO-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000130498641 1030769745 /nfs/dbraw/zinc/76/97/45/1030769745.db2.gz PSNVXUUDXSZDHO-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000537650419 1030798866 /nfs/dbraw/zinc/79/88/66/1030798866.db2.gz DIBQDILGSHLUNT-GQCTYLIASA-N 2 1 348.506 3.909 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550994962 1030875287 /nfs/dbraw/zinc/87/52/87/1030875287.db2.gz XPXDPRSQOAJYDB-RTWAWAEBSA-N 2 1 338.495 3.971 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550994962 1030875302 /nfs/dbraw/zinc/87/53/02/1030875302.db2.gz XPXDPRSQOAJYDB-RTWAWAEBSA-N 2 1 338.495 3.971 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(Oc4ccc(F)cc4)nc3)C2)C1 ZINC000668188730 1030892366 /nfs/dbraw/zinc/89/23/66/1030892366.db2.gz NBPNXWOKQDPDED-FQEVSTJZSA-N 2 1 341.430 3.541 20 0 EHADMP Clc1cccc([C@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000668192620 1030902697 /nfs/dbraw/zinc/90/26/97/1030902697.db2.gz IGWQZVORULZZNO-INIZCTEOSA-N 2 1 338.842 3.910 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCCC2 ZINC000872037378 1030920717 /nfs/dbraw/zinc/92/07/17/1030920717.db2.gz BDUZXIWLAWJRTP-QGPMSJSTSA-N 2 1 332.488 3.544 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCCC2 ZINC000872037378 1030920725 /nfs/dbraw/zinc/92/07/25/1030920725.db2.gz BDUZXIWLAWJRTP-QGPMSJSTSA-N 2 1 332.488 3.544 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173386013 1031084177 /nfs/dbraw/zinc/08/41/77/1031084177.db2.gz JOOXEVDTAJILSS-QWHCGFSZSA-N 2 1 336.277 3.941 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509669 1031197000 /nfs/dbraw/zinc/19/70/00/1031197000.db2.gz YEQRIIFAEHJAKY-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509669 1031197013 /nfs/dbraw/zinc/19/70/13/1031197013.db2.gz YEQRIIFAEHJAKY-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509669 1031197020 /nfs/dbraw/zinc/19/70/20/1031197020.db2.gz YEQRIIFAEHJAKY-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000483509669 1031197032 /nfs/dbraw/zinc/19/70/32/1031197032.db2.gz YEQRIIFAEHJAKY-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551314338 1031216723 /nfs/dbraw/zinc/21/67/23/1031216723.db2.gz YMRQBBYBBXBIIM-GJHJYOIJSA-N 2 1 332.532 3.816 20 0 EHADMP CCCOc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000527807204 1031283244 /nfs/dbraw/zinc/28/32/44/1031283244.db2.gz NEZQSIUAEVPZRL-SFHVURJKSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000527807204 1031283253 /nfs/dbraw/zinc/28/32/53/1031283253.db2.gz NEZQSIUAEVPZRL-SFHVURJKSA-N 2 1 332.488 3.591 20 0 EHADMP Cc1cccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)C)c1 ZINC000527860033 1031340691 /nfs/dbraw/zinc/34/06/91/1031340691.db2.gz UFJJJOZCOMOLNQ-HXUWFJFHSA-N 2 1 330.516 3.927 20 0 EHADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000584002201 1031372389 /nfs/dbraw/zinc/37/23/89/1031372389.db2.gz PIZSXVHMBHUSMW-DOTOQJQBSA-N 2 1 346.446 3.581 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997059 1031461495 /nfs/dbraw/zinc/46/14/95/1031461495.db2.gz UTNJGQNTYZWLJA-GOSISDBHSA-N 2 1 325.431 3.652 20 0 EHADMP COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527949575 1031479543 /nfs/dbraw/zinc/47/95/43/1031479543.db2.gz OFXYOYFBCHSTDU-YJBOKZPZSA-N 2 1 332.488 3.761 20 0 EHADMP COc1ccc([C@H](C)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527949575 1031479550 /nfs/dbraw/zinc/47/95/50/1031479550.db2.gz OFXYOYFBCHSTDU-YJBOKZPZSA-N 2 1 332.488 3.761 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657823338 1031594688 /nfs/dbraw/zinc/59/46/88/1031594688.db2.gz LEWNSDSAZRUNDE-JTQLQIEISA-N 2 1 331.685 3.847 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000584140375 1031792403 /nfs/dbraw/zinc/79/24/03/1031792403.db2.gz FYGZIYQESGXLAL-ZACQAIPSSA-N 2 1 334.504 3.516 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)o1 ZINC000278652397 1031825550 /nfs/dbraw/zinc/82/55/50/1031825550.db2.gz IENRFQDRYUPHFA-JXFKEZNVSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1ccc(C(=O)C2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)c(C)c1 ZINC000904337300 1031941960 /nfs/dbraw/zinc/94/19/60/1031941960.db2.gz URLSSJYEUPYBGD-NRFANRHFSA-N 2 1 328.500 3.588 20 0 EHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537966040 1032051876 /nfs/dbraw/zinc/05/18/76/1032051876.db2.gz RTCURERRCDPNSH-NRFANRHFSA-N 2 1 344.543 3.941 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000685470324 1033368111 /nfs/dbraw/zinc/36/81/11/1033368111.db2.gz FRWLNWGJAWQMCR-SOLBZPMBSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000685470324 1033368119 /nfs/dbraw/zinc/36/81/19/1033368119.db2.gz FRWLNWGJAWQMCR-SOLBZPMBSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000685470324 1033368131 /nfs/dbraw/zinc/36/81/31/1033368131.db2.gz FRWLNWGJAWQMCR-SOLBZPMBSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000685470324 1033368138 /nfs/dbraw/zinc/36/81/38/1033368138.db2.gz FRWLNWGJAWQMCR-SOLBZPMBSA-N 2 1 334.504 3.645 20 0 EHADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC001143458043 1033383034 /nfs/dbraw/zinc/38/30/34/1033383034.db2.gz MNQKOCXLUZMHPK-UHFFFAOYSA-N 2 1 326.406 3.932 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413788 1033427848 /nfs/dbraw/zinc/42/78/48/1033427848.db2.gz AQSCYRDULQNXQY-HXUWFJFHSA-N 2 1 342.433 3.772 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000398103509 1033610796 /nfs/dbraw/zinc/61/07/96/1033610796.db2.gz AVPBYOPQMBFVJO-XLIONFOSSA-N 2 1 346.478 3.630 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000595037525 1033657473 /nfs/dbraw/zinc/65/74/73/1033657473.db2.gz GYIGWVJNEVHMMI-IEBWSBKVSA-N 2 1 338.536 3.970 20 0 EHADMP FCC1(CF)CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000657970489 1033769925 /nfs/dbraw/zinc/76/99/25/1033769925.db2.gz DFSCFMBHYFJGNX-YSIASYRMSA-N 2 1 348.481 3.965 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000658058810 1033872047 /nfs/dbraw/zinc/87/20/47/1033872047.db2.gz USQZVMGNAFLFIY-BEFAXECRSA-N 2 1 326.488 3.704 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000575215722 1033892867 /nfs/dbraw/zinc/89/28/67/1033892867.db2.gz IEMSKHLCDOLNTL-FXAWDEMLSA-N 2 1 343.540 3.696 20 0 EHADMP Cc1ccc(C[N@H+](C2CCC([NH+](C)C)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001168312366 1033929377 /nfs/dbraw/zinc/92/93/77/1033929377.db2.gz SDLSWVKQWDCARF-IKVFXUPASA-N 3 1 343.559 3.940 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000056522309 1034045621 /nfs/dbraw/zinc/04/56/21/1034045621.db2.gz CISSEJCNPLYYCQ-UHFFFAOYSA-N 2 1 343.540 3.898 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001168326669 1034155440 /nfs/dbraw/zinc/15/54/40/1034155440.db2.gz DEGMNWDZUJALCU-UHFFFAOYSA-N 2 1 345.314 3.661 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620613 1034225269 /nfs/dbraw/zinc/22/52/69/1034225269.db2.gz TWTXTVYSTXYBHA-SFHVURJKSA-N 2 1 330.516 3.954 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620613 1034225281 /nfs/dbraw/zinc/22/52/81/1034225281.db2.gz TWTXTVYSTXYBHA-SFHVURJKSA-N 2 1 330.516 3.954 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620613 1034225289 /nfs/dbraw/zinc/22/52/89/1034225289.db2.gz TWTXTVYSTXYBHA-SFHVURJKSA-N 2 1 330.516 3.954 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000537620613 1034225293 /nfs/dbraw/zinc/22/52/93/1034225293.db2.gz TWTXTVYSTXYBHA-SFHVURJKSA-N 2 1 330.516 3.954 20 0 EHADMP CCc1ccc2[nH+]ccc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2c1 ZINC000450391258 1034250504 /nfs/dbraw/zinc/25/05/04/1034250504.db2.gz NBNKEHBTYWVCJS-KRWDZBQOSA-N 2 1 334.467 3.990 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450468485 1034380999 /nfs/dbraw/zinc/38/09/99/1034380999.db2.gz OGQJVRPQCJQFSN-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000450468485 1034381013 /nfs/dbraw/zinc/38/10/13/1034381013.db2.gz OGQJVRPQCJQFSN-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450468485 1034381023 /nfs/dbraw/zinc/38/10/23/1034381023.db2.gz OGQJVRPQCJQFSN-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450468485 1034381042 /nfs/dbraw/zinc/38/10/42/1034381042.db2.gz OGQJVRPQCJQFSN-BBRMVZONSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340356113 1034485972 /nfs/dbraw/zinc/48/59/72/1034485972.db2.gz XZZVKYFOBSAHDJ-OLMNPRSZSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340356113 1034485979 /nfs/dbraw/zinc/48/59/79/1034485979.db2.gz XZZVKYFOBSAHDJ-OLMNPRSZSA-N 2 1 329.513 3.980 20 0 EHADMP C[N@H+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000628242711 1034630647 /nfs/dbraw/zinc/63/06/47/1034630647.db2.gz OJGGCHVVBJAJJX-OAHLLOKOSA-N 2 1 337.389 3.639 20 0 EHADMP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000628242711 1034630651 /nfs/dbraw/zinc/63/06/51/1034630651.db2.gz OJGGCHVVBJAJJX-OAHLLOKOSA-N 2 1 337.389 3.639 20 0 EHADMP CCC[N@H+](Cc1cccc(Br)c1)CC1CC[NH2+]CC1 ZINC000094011695 1034634566 /nfs/dbraw/zinc/63/45/66/1034634566.db2.gz UBPNVQONPVHQHS-UHFFFAOYSA-N 2 1 325.294 3.661 20 0 EHADMP COC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000391002555 1034927850 /nfs/dbraw/zinc/92/78/50/1034927850.db2.gz HDWHNAWZEUBUFH-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP COC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000391002555 1034927854 /nfs/dbraw/zinc/92/78/54/1034927854.db2.gz HDWHNAWZEUBUFH-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343824452 1034971238 /nfs/dbraw/zinc/97/12/38/1034971238.db2.gz YOCMESQSNYMBOU-VHSXEESVSA-N 2 1 332.395 3.654 20 0 EHADMP C[NH+](C)CC1(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000584484272 1035007946 /nfs/dbraw/zinc/00/79/46/1035007946.db2.gz WYIYMVGRMHTPTR-VQTJNVASSA-N 2 1 329.532 3.534 20 0 EHADMP CN1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C[C@@H]1c1ccccc1 ZINC000584484272 1035007956 /nfs/dbraw/zinc/00/79/56/1035007956.db2.gz WYIYMVGRMHTPTR-VQTJNVASSA-N 3 1 329.532 3.534 20 0 EHADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289436169 1035445694 /nfs/dbraw/zinc/44/56/94/1035445694.db2.gz AJUJYGHXHKTJAN-HXUWFJFHSA-N 2 1 340.515 3.856 20 0 EHADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289436169 1035445697 /nfs/dbraw/zinc/44/56/97/1035445697.db2.gz AJUJYGHXHKTJAN-HXUWFJFHSA-N 2 1 340.515 3.856 20 0 EHADMP Cc1nccnc1[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282266614 1035567248 /nfs/dbraw/zinc/56/72/48/1035567248.db2.gz AGWJGTAZVIPGAI-IEBWSBKVSA-N 2 1 338.499 3.736 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282266614 1035567261 /nfs/dbraw/zinc/56/72/61/1035567261.db2.gz AGWJGTAZVIPGAI-IEBWSBKVSA-N 2 1 338.499 3.736 20 0 EHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696893 1035595735 /nfs/dbraw/zinc/59/57/35/1035595735.db2.gz YQDHBNXIVCBBGX-HIFRSBDPSA-N 2 1 330.394 3.676 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172183 1035813400 /nfs/dbraw/zinc/81/34/00/1035813400.db2.gz RXUMIIYIHIOJCU-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534971604 1035844503 /nfs/dbraw/zinc/84/45/03/1035844503.db2.gz PFWJEDSQZBJZSR-FQEVSTJZSA-N 2 1 349.950 3.725 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000414176471 1035904235 /nfs/dbraw/zinc/90/42/35/1035904235.db2.gz JAYAGPRVBOIICZ-RDJZCZTQSA-N 2 1 344.478 3.702 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000414179426 1035927718 /nfs/dbraw/zinc/92/77/18/1035927718.db2.gz KQUHJKNQJKZKAV-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000588708586 1035981195 /nfs/dbraw/zinc/98/11/95/1035981195.db2.gz KSUJSXNSKGDOHI-UHFFFAOYSA-N 2 1 340.515 3.816 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000588708586 1035981204 /nfs/dbraw/zinc/98/12/04/1035981204.db2.gz KSUJSXNSKGDOHI-UHFFFAOYSA-N 2 1 340.515 3.816 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000464120366 1036124482 /nfs/dbraw/zinc/12/44/82/1036124482.db2.gz YQRPICNOXYDHGJ-UHFFFAOYSA-N 2 1 344.528 3.759 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414258781 1036324779 /nfs/dbraw/zinc/32/47/79/1036324779.db2.gz HJUSSZSCUYBNJA-YLJYHZDGSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892585216 1036332170 /nfs/dbraw/zinc/33/21/70/1036332170.db2.gz RJBFHTGXBVNODE-ZDUSSCGKSA-N 2 1 349.466 3.850 20 0 EHADMP C[C@@H](c1ccccc1Br)[N@H+](C)CCCc1c[nH+]cn1C ZINC000572732020 1036473967 /nfs/dbraw/zinc/47/39/67/1036473967.db2.gz NHVOVIAOSUWQQW-ZDUSSCGKSA-N 2 1 336.277 3.808 20 0 EHADMP C[C@@H](c1ccccc1Br)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000572732020 1036473983 /nfs/dbraw/zinc/47/39/83/1036473983.db2.gz NHVOVIAOSUWQQW-ZDUSSCGKSA-N 2 1 336.277 3.808 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CC1(F)F ZINC000666229570 1036521737 /nfs/dbraw/zinc/52/17/37/1036521737.db2.gz RLULLAXBQKLBHS-IKLKHMQRSA-N 2 1 334.454 3.920 20 0 EHADMP C[C@H]([NH2+]C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000192885382 1036560198 /nfs/dbraw/zinc/56/01/98/1036560198.db2.gz UXCHCHMCVRWQIS-XSLAUPDRSA-N 2 1 341.543 3.865 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000535512521 1036577007 /nfs/dbraw/zinc/57/70/07/1036577007.db2.gz XUTVJTFSEDQMMY-IVDHNXQLSA-N 2 1 334.548 3.682 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCC2)o1 ZINC000541733001 1036601352 /nfs/dbraw/zinc/60/13/52/1036601352.db2.gz AMMGKBPOGMSZSR-OXJNMPFZSA-N 2 1 332.488 3.520 20 0 EHADMP COCC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000414316413 1036635831 /nfs/dbraw/zinc/63/58/31/1036635831.db2.gz UNTHKBIPQYXNBS-UMOULQGESA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000590125560 1036767619 /nfs/dbraw/zinc/76/76/19/1036767619.db2.gz XUHPAGQPKDFSHC-UHFFFAOYSA-N 2 1 342.487 3.634 20 0 EHADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000310087759 1036772479 /nfs/dbraw/zinc/77/24/79/1036772479.db2.gz OWCYZQMOEZMDOW-DYESRHJHSA-N 2 1 340.898 3.919 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000310269933 1036798153 /nfs/dbraw/zinc/79/81/53/1036798153.db2.gz NCOIEAFSYOUODN-HBMCJLEFSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541917706 1036840599 /nfs/dbraw/zinc/84/05/99/1036840599.db2.gz WHFJJTNQIOUBAY-NQIIRXRSSA-N 2 1 330.516 3.868 20 0 EHADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311002924 1036941540 /nfs/dbraw/zinc/94/15/40/1036941540.db2.gz VOAMIEZCDLJICK-NQIIRXRSSA-N 2 1 338.495 3.738 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc4cnccc4c3)C2)cc1 ZINC000310916105 1036981880 /nfs/dbraw/zinc/98/18/80/1036981880.db2.gz QIJACAKARYSEDM-FQEVSTJZSA-N 2 1 331.463 3.847 20 0 EHADMP Cc1ncsc1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178390880 1037032226 /nfs/dbraw/zinc/03/22/26/1037032226.db2.gz DIYRWGDWVOWZLC-INIZCTEOSA-N 2 1 335.561 3.971 20 0 EHADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786512 1037053142 /nfs/dbraw/zinc/05/31/42/1037053142.db2.gz ZQNFPBLTMJNMLN-KRWDZBQOSA-N 2 1 345.531 3.628 20 0 EHADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542906 1037068041 /nfs/dbraw/zinc/06/80/41/1037068041.db2.gz DQIAXQJZTWAIAF-OLZOCXBDSA-N 2 1 343.334 3.722 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000590818929 1037087411 /nfs/dbraw/zinc/08/74/11/1037087411.db2.gz JEANFGYBDJKIRP-MRXNPFEDSA-N 2 1 342.487 3.850 20 0 EHADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000542153841 1037118885 /nfs/dbraw/zinc/11/88/85/1037118885.db2.gz BCVVNVMIXINCJY-YESZJQIVSA-N 2 1 336.545 3.500 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000303222728 1037244198 /nfs/dbraw/zinc/24/41/98/1037244198.db2.gz VNBUJHMKYXMZFP-LJQANCHMSA-N 2 1 345.531 3.651 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000303222727 1037245091 /nfs/dbraw/zinc/24/50/91/1037245091.db2.gz VNBUJHMKYXMZFP-IBGZPJMESA-N 2 1 345.531 3.651 20 0 EHADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)O ZINC000549085619 1037271496 /nfs/dbraw/zinc/27/14/96/1037271496.db2.gz CNENCJQOVBXUEN-HYJDXBIFSA-N 2 1 336.907 3.613 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539898886 1037338187 /nfs/dbraw/zinc/33/81/87/1037338187.db2.gz JHGYVOCHGPJPSU-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539898886 1037338206 /nfs/dbraw/zinc/33/82/06/1037338206.db2.gz JHGYVOCHGPJPSU-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539898886 1037338222 /nfs/dbraw/zinc/33/82/22/1037338222.db2.gz JHGYVOCHGPJPSU-RXVVDRJESA-N 2 1 328.500 3.924 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000573338671 1037472684 /nfs/dbraw/zinc/47/26/84/1037472684.db2.gz VDWVCKWNEIYRNW-XHBSWPGZSA-N 2 1 325.294 3.576 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532496676 1037542484 /nfs/dbraw/zinc/54/24/84/1037542484.db2.gz BMELRSMALDXFFK-IEBWSBKVSA-N 2 1 343.540 3.696 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000591700524 1037560984 /nfs/dbraw/zinc/56/09/84/1037560984.db2.gz IOYRKZJRYKRMSX-CVEARBPZSA-N 2 1 345.487 3.803 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540152064 1037623083 /nfs/dbraw/zinc/62/30/83/1037623083.db2.gz WVHNHDLICGTKTA-CZUORRHYSA-N 2 1 339.321 3.657 20 0 EHADMP CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000540168939 1037636863 /nfs/dbraw/zinc/63/68/63/1037636863.db2.gz INYDCUWSRPITAD-LEWJYISDSA-N 2 1 346.515 3.849 20 0 EHADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000463024873 1037657098 /nfs/dbraw/zinc/65/70/98/1037657098.db2.gz QWPAXLHWJKNWNH-PCCBWWKXSA-N 2 1 344.543 3.733 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000573812866 1037757803 /nfs/dbraw/zinc/75/78/03/1037757803.db2.gz BOQUONQMGGNOPE-BRWVUGGUSA-N 2 1 341.524 3.775 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463121212 1037788955 /nfs/dbraw/zinc/78/89/55/1037788955.db2.gz VHIXCVDTRJHTDD-KSEOMHKRSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463121212 1037788967 /nfs/dbraw/zinc/78/89/67/1037788967.db2.gz VHIXCVDTRJHTDD-KSEOMHKRSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463121212 1037788982 /nfs/dbraw/zinc/78/89/82/1037788982.db2.gz VHIXCVDTRJHTDD-KSEOMHKRSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000463139296 1037799705 /nfs/dbraw/zinc/79/97/05/1037799705.db2.gz RSIHZZLZWUDOMD-LJQANCHMSA-N 2 1 349.950 3.768 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463139365 1037800832 /nfs/dbraw/zinc/80/08/32/1037800832.db2.gz CLXBKLQEFKQYGD-RZUBCFFCSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463139365 1037800846 /nfs/dbraw/zinc/80/08/46/1037800846.db2.gz CLXBKLQEFKQYGD-RZUBCFFCSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463139365 1037800860 /nfs/dbraw/zinc/80/08/60/1037800860.db2.gz CLXBKLQEFKQYGD-RZUBCFFCSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[C@H](NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000463151784 1037823049 /nfs/dbraw/zinc/82/30/49/1037823049.db2.gz MYGUTHAOWZSCRR-XAPVIXHLSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463151784 1037823056 /nfs/dbraw/zinc/82/30/56/1037823056.db2.gz MYGUTHAOWZSCRR-XAPVIXHLSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463151784 1037823069 /nfs/dbraw/zinc/82/30/69/1037823069.db2.gz MYGUTHAOWZSCRR-XAPVIXHLSA-N 2 1 343.559 3.892 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494165327 1037896127 /nfs/dbraw/zinc/89/61/27/1037896127.db2.gz ULBBJBCCKFZHEB-ZDUSSCGKSA-N 2 1 345.712 3.924 20 0 EHADMP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)cc2)cc1 ZINC000573966013 1037956516 /nfs/dbraw/zinc/95/65/16/1037956516.db2.gz MGOFDAACVRNBBB-LJQANCHMSA-N 2 1 347.462 3.944 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000173327248 1038035260 /nfs/dbraw/zinc/03/52/60/1038035260.db2.gz NNAFLKPTNTXZEA-IBGZPJMESA-N 2 1 337.511 3.675 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000188088810 1038073390 /nfs/dbraw/zinc/07/33/90/1038073390.db2.gz KXTDMIKSYWXFDZ-INIZCTEOSA-N 2 1 338.923 3.923 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000538718485 1038488873 /nfs/dbraw/zinc/48/88/73/1038488873.db2.gz WFACPAIELZRPKU-CJNGLKHVSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000538718485 1038488880 /nfs/dbraw/zinc/48/88/80/1038488880.db2.gz WFACPAIELZRPKU-CJNGLKHVSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000538718485 1038488885 /nfs/dbraw/zinc/48/88/85/1038488885.db2.gz WFACPAIELZRPKU-CJNGLKHVSA-N 2 1 330.394 3.747 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000538721365 1038489880 /nfs/dbraw/zinc/48/98/80/1038489880.db2.gz FKTNLIBVCKMXHI-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP CC(C)CCn1cccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000538797998 1038535729 /nfs/dbraw/zinc/53/57/29/1038535729.db2.gz IHHWBZHRQHQHSR-WIYYLYMNSA-N 2 1 329.532 3.983 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C)(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000893225008 1038580287 /nfs/dbraw/zinc/58/02/87/1038580287.db2.gz HPSBZTWVPPVYKV-GUSVMJMASA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000689869376 1038596213 /nfs/dbraw/zinc/59/62/13/1038596213.db2.gz MJJSCFOLXWXTCD-HLAWJBBLSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Br)ccc1F ZINC000149469832 1038653057 /nfs/dbraw/zinc/65/30/57/1038653057.db2.gz QSYSVILFBBHRBU-NSHDSACASA-N 2 1 341.268 3.866 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000539086711 1038667512 /nfs/dbraw/zinc/66/75/12/1038667512.db2.gz PHXTZGOGWLXGSM-QRWLVFNGSA-N 2 1 327.472 3.773 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2N(C)C)CC1 ZINC000539073788 1038671547 /nfs/dbraw/zinc/67/15/47/1038671547.db2.gz APIFIIAHSHZFHP-YLJYHZDGSA-N 2 1 329.532 3.885 20 0 EHADMP CCCc1noc(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)n1 ZINC000539096136 1038682130 /nfs/dbraw/zinc/68/21/30/1038682130.db2.gz AAZOOQWXCWPIID-UHFFFAOYSA-N 2 1 336.524 3.602 20 0 EHADMP CCCc1noc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC000539096136 1038682137 /nfs/dbraw/zinc/68/21/37/1038682137.db2.gz AAZOOQWXCWPIID-UHFFFAOYSA-N 2 1 336.524 3.602 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000479851478 1038787542 /nfs/dbraw/zinc/78/75/42/1038787542.db2.gz LECDYPRPCJDALJ-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2ccccc12 ZINC000195270001 1038855872 /nfs/dbraw/zinc/85/58/72/1038855872.db2.gz CUCFNVNHQIQWCD-LJQANCHMSA-N 2 1 347.462 3.804 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c[nH]c21 ZINC000552047424 1038912935 /nfs/dbraw/zinc/91/29/35/1038912935.db2.gz MESZZJGAMPRGCX-XUVXKRRUSA-N 2 1 325.500 3.735 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000552047280 1038914387 /nfs/dbraw/zinc/91/43/87/1038914387.db2.gz GLAOCFQGUOJDMG-SLFFLAALSA-N 2 1 343.515 3.756 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000554141171 1038963892 /nfs/dbraw/zinc/96/38/92/1038963892.db2.gz ZEVVIVWGOSRISH-BPQIPLTHSA-N 2 1 327.472 3.630 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000477911483 1039014632 /nfs/dbraw/zinc/01/46/32/1039014632.db2.gz HSLXNMMFIQFRQK-QUCCMNQESA-N 3 1 335.580 3.741 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000898440566 1039032509 /nfs/dbraw/zinc/03/25/09/1039032509.db2.gz SLOUEJXZCWCUOV-HKUYNNGSSA-N 2 1 348.556 3.541 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000898440566 1039032526 /nfs/dbraw/zinc/03/25/26/1039032526.db2.gz SLOUEJXZCWCUOV-HKUYNNGSSA-N 2 1 348.556 3.541 20 0 EHADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000480093328 1039144904 /nfs/dbraw/zinc/14/49/04/1039144904.db2.gz NRBUYUDZCAOQLS-RDTXWAMCSA-N 2 1 333.838 3.709 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438338 1039182500 /nfs/dbraw/zinc/18/25/00/1039182500.db2.gz YBLCBUCJLNYHPA-LSTHTHJFSA-N 2 1 348.556 3.527 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438338 1039182508 /nfs/dbraw/zinc/18/25/08/1039182508.db2.gz YBLCBUCJLNYHPA-LSTHTHJFSA-N 2 1 348.556 3.527 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000432789383 1039186300 /nfs/dbraw/zinc/18/63/00/1039186300.db2.gz RPNFUQUXMZSSFJ-SFHVURJKSA-N 2 1 334.504 3.790 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000432789383 1039186310 /nfs/dbraw/zinc/18/63/10/1039186310.db2.gz RPNFUQUXMZSSFJ-SFHVURJKSA-N 2 1 334.504 3.790 20 0 EHADMP Cc1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898519780 1039191727 /nfs/dbraw/zinc/19/17/27/1039191727.db2.gz RGUDFROGFMFQNQ-CEXWTWQISA-N 2 1 341.524 3.842 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000552336379 1039208196 /nfs/dbraw/zinc/20/81/96/1039208196.db2.gz BDIHIQJXKCETPB-NRSPTQNISA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552336379 1039208200 /nfs/dbraw/zinc/20/82/00/1039208200.db2.gz BDIHIQJXKCETPB-NRSPTQNISA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552336379 1039208210 /nfs/dbraw/zinc/20/82/10/1039208210.db2.gz BDIHIQJXKCETPB-NRSPTQNISA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796161 1039219713 /nfs/dbraw/zinc/21/97/13/1039219713.db2.gz FOTWTPVPVFDOQU-WMLDXEAASA-N 2 1 339.321 3.969 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796161 1039219717 /nfs/dbraw/zinc/21/97/17/1039219717.db2.gz FOTWTPVPVFDOQU-WMLDXEAASA-N 2 1 339.321 3.969 20 0 EHADMP Brc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000236701160 1039241707 /nfs/dbraw/zinc/24/17/07/1039241707.db2.gz YIGFYEKHNWRXBU-UHFFFAOYSA-N 2 1 349.272 3.928 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310146823 1039415192 /nfs/dbraw/zinc/41/51/92/1039415192.db2.gz LPQSHERNWSZKPK-IBGZPJMESA-N 2 1 327.472 3.683 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310146823 1039415206 /nfs/dbraw/zinc/41/52/06/1039415206.db2.gz LPQSHERNWSZKPK-IBGZPJMESA-N 2 1 327.472 3.683 20 0 EHADMP Cc1cccc(N2CCC([NH2+]Cc3cc(F)cc(Cl)c3)CC2)[nH+]1 ZINC000485714372 1039455863 /nfs/dbraw/zinc/45/58/63/1039455863.db2.gz TWQOJARHXNEZPH-UHFFFAOYSA-N 2 1 333.838 3.941 20 0 EHADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000584714787 1039603728 /nfs/dbraw/zinc/60/37/28/1039603728.db2.gz HIOIKRGTGICUDK-UONOGXRCSA-N 2 1 327.453 3.773 20 0 EHADMP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000549688900 1039682695 /nfs/dbraw/zinc/68/26/95/1039682695.db2.gz RXKCVRKRIAOEKL-HNNXBMFYSA-N 2 1 349.316 3.523 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000480565607 1039702986 /nfs/dbraw/zinc/70/29/86/1039702986.db2.gz WDXWCYOIWVSPNE-HBMCJLEFSA-N 2 1 342.527 3.931 20 0 EHADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000554949255 1039974890 /nfs/dbraw/zinc/97/48/90/1039974890.db2.gz FZLUDEZTNSKXLE-QRVBRYPASA-N 2 1 335.923 3.549 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000489600885 1040100686 /nfs/dbraw/zinc/10/06/86/1040100686.db2.gz BWHHPJZFRSVMBR-NSHDSACASA-N 2 1 331.273 3.827 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000489607160 1040103026 /nfs/dbraw/zinc/10/30/26/1040103026.db2.gz FGWZMUZRMNXWCN-IBGZPJMESA-N 2 1 334.504 3.582 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000480904700 1040137078 /nfs/dbraw/zinc/13/70/78/1040137078.db2.gz BYDCCHPFFCSAQV-UHFFFAOYSA-N 2 1 343.284 3.798 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905437 1040137467 /nfs/dbraw/zinc/13/74/67/1040137467.db2.gz ZZOJIRRBVDMBEP-KCZVDYSFSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905437 1040137471 /nfs/dbraw/zinc/13/74/71/1040137471.db2.gz ZZOJIRRBVDMBEP-KCZVDYSFSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905437 1040137477 /nfs/dbraw/zinc/13/74/77/1040137477.db2.gz ZZOJIRRBVDMBEP-KCZVDYSFSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905437 1040137482 /nfs/dbraw/zinc/13/74/82/1040137482.db2.gz ZZOJIRRBVDMBEP-KCZVDYSFSA-N 2 1 343.559 3.609 20 0 EHADMP COc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1OC(C)C ZINC000480928952 1040180037 /nfs/dbraw/zinc/18/00/37/1040180037.db2.gz PWUWSIYPOHGLIG-UHFFFAOYSA-N 2 1 334.504 3.694 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000481025634 1040286813 /nfs/dbraw/zinc/28/68/13/1040286813.db2.gz QUABVFDDYWWQQB-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000310875844 1040312457 /nfs/dbraw/zinc/31/24/57/1040312457.db2.gz GWVHXNQYGJXNFM-RTWAWAEBSA-N 2 1 342.527 3.838 20 0 EHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479548410 1040361193 /nfs/dbraw/zinc/36/11/93/1040361193.db2.gz ZGZANYUTGNNUBC-RXVVDRJESA-N 2 1 328.500 3.601 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3C(C)=CCC[C@@H]3C)CCCC2)CC1 ZINC000479551403 1040368383 /nfs/dbraw/zinc/36/83/83/1040368383.db2.gz FEWYHSHYCIXDLE-AZUAARDMSA-N 2 1 334.548 3.992 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3C(C)=CCC[C@H]3C)CCCC2)CC1 ZINC000479551405 1040368973 /nfs/dbraw/zinc/36/89/73/1040368973.db2.gz FEWYHSHYCIXDLE-QUCCMNQESA-N 2 1 334.548 3.992 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@H](C)C1 ZINC000555336234 1040453921 /nfs/dbraw/zinc/45/39/21/1040453921.db2.gz QYHDJWRRHBMAOE-XLIONFOSSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@H](C)C1 ZINC000555336234 1040453931 /nfs/dbraw/zinc/45/39/31/1040453931.db2.gz QYHDJWRRHBMAOE-XLIONFOSSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@H](C)C1 ZINC000555336234 1040453939 /nfs/dbraw/zinc/45/39/39/1040453939.db2.gz QYHDJWRRHBMAOE-XLIONFOSSA-N 2 1 340.515 3.558 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162862349 1040509563 /nfs/dbraw/zinc/50/95/63/1040509563.db2.gz HMRDLFNNRVMRDV-HCXYKTFWSA-N 2 1 348.531 3.666 20 0 EHADMP c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411171247 1040532599 /nfs/dbraw/zinc/53/25/99/1040532599.db2.gz ZCZAWEWAUJHBJL-FQEVSTJZSA-N 2 1 328.500 3.673 20 0 EHADMP CCCCc1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)CCCC)CC2)n1 ZINC000066960608 1040685868 /nfs/dbraw/zinc/68/58/68/1040685868.db2.gz ROWNSFLMAGOPKX-INIZCTEOSA-N 2 1 336.524 3.917 20 0 EHADMP CCCCc1noc([C@H](C)[NH+]2CCC(C[N@H+](C)CCCC)CC2)n1 ZINC000066960608 1040685874 /nfs/dbraw/zinc/68/58/74/1040685874.db2.gz ROWNSFLMAGOPKX-INIZCTEOSA-N 2 1 336.524 3.917 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000411315000 1040731523 /nfs/dbraw/zinc/73/15/23/1040731523.db2.gz GVZNNDDJHNTLTI-RTWAWAEBSA-N 2 1 328.500 3.673 20 0 EHADMP c1ncc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000411327081 1040751319 /nfs/dbraw/zinc/75/13/19/1040751319.db2.gz OCIWGSCFTKURBW-UYAOXDASSA-N 2 1 341.524 3.672 20 0 EHADMP c1ncc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000411327081 1040751334 /nfs/dbraw/zinc/75/13/34/1040751334.db2.gz OCIWGSCFTKURBW-UYAOXDASSA-N 2 1 341.524 3.672 20 0 EHADMP c1ncc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000411327081 1040751346 /nfs/dbraw/zinc/75/13/46/1040751346.db2.gz OCIWGSCFTKURBW-UYAOXDASSA-N 2 1 341.524 3.672 20 0 EHADMP c1ncc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000411327081 1040751358 /nfs/dbraw/zinc/75/13/58/1040751358.db2.gz OCIWGSCFTKURBW-UYAOXDASSA-N 2 1 341.524 3.672 20 0 EHADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000433113702 1040779635 /nfs/dbraw/zinc/77/96/35/1040779635.db2.gz FMHQSAQGONOURQ-SFHVURJKSA-N 2 1 331.504 3.621 20 0 EHADMP C[N@@H+](CCc1nccs1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401284 1040824303 /nfs/dbraw/zinc/82/43/03/1040824303.db2.gz MKSYLTMIDXCISR-UHFFFAOYSA-N 2 1 329.513 3.804 20 0 EHADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924873085 1040843141 /nfs/dbraw/zinc/84/31/41/1040843141.db2.gz JSLOHMUPIRUESP-LMMKCTJWSA-N 2 1 338.561 3.879 20 0 EHADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924873085 1040843151 /nfs/dbraw/zinc/84/31/51/1040843151.db2.gz JSLOHMUPIRUESP-LMMKCTJWSA-N 2 1 338.561 3.879 20 0 EHADMP CC(C)CC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132867 1040870033 /nfs/dbraw/zinc/87/00/33/1040870033.db2.gz YCXBXEHVXBAXTR-NRFANRHFSA-N 2 1 344.543 3.772 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000046989817 1041060767 /nfs/dbraw/zinc/06/07/67/1041060767.db2.gz WCEMTCSNAJEINK-QGZVFWFLSA-N 2 1 349.519 3.506 20 0 EHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000020146321 1041187399 /nfs/dbraw/zinc/18/73/99/1041187399.db2.gz BXMNEEPVECRTIZ-UHFFFAOYSA-N 2 1 343.284 3.800 20 0 EHADMP CO[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000660436965 1041351918 /nfs/dbraw/zinc/35/19/18/1041351918.db2.gz UMHPDRLSNSBFGE-IBGZPJMESA-N 2 1 331.504 3.604 20 0 EHADMP c1nc([C@@H]2CCC[N@H+](Cc3cnc4ccccc4n3)C2)n2c1CCCC2 ZINC000660481418 1041557503 /nfs/dbraw/zinc/55/75/03/1041557503.db2.gz NBWOGDJYQAHPAK-MRXNPFEDSA-N 2 1 347.466 3.542 20 0 EHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653836 1041753510 /nfs/dbraw/zinc/75/35/10/1041753510.db2.gz BPJQACDDJWXJEJ-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653836 1041753518 /nfs/dbraw/zinc/75/35/18/1041753518.db2.gz BPJQACDDJWXJEJ-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653836 1041753525 /nfs/dbraw/zinc/75/35/25/1041753525.db2.gz BPJQACDDJWXJEJ-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000660653836 1041753530 /nfs/dbraw/zinc/75/35/30/1041753530.db2.gz BPJQACDDJWXJEJ-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP CC[N@H+](CCC[NH2+]Cc1ccccc1C(=O)N(C)C)C1CCCCC1 ZINC000651910304 1042174062 /nfs/dbraw/zinc/17/40/62/1042174062.db2.gz OSEVUXOHTCMAJJ-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP CC[N@@H+](CCC[NH2+]Cc1ccccc1C(=O)N(C)C)C1CCCCC1 ZINC000651910304 1042174065 /nfs/dbraw/zinc/17/40/65/1042174065.db2.gz OSEVUXOHTCMAJJ-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP COc1ccc([C@H]([NH2+]CC(C)(C)CC(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000925734262 1042414884 /nfs/dbraw/zinc/41/48/84/1042414884.db2.gz PMGGYMCASSUWCZ-WBVHZDCISA-N 2 1 326.431 3.759 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CSc2ccccc2OC)[C@H](C)C1 ZINC000246505556 1042511220 /nfs/dbraw/zinc/51/12/20/1042511220.db2.gz SWCBGLGLUHOKRL-BBWFWOEESA-N 2 1 336.545 3.743 20 0 EHADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662260077 1042642239 /nfs/dbraw/zinc/64/22/39/1042642239.db2.gz GRCVWZQAHATFPR-NRFANRHFSA-N 2 1 346.478 3.556 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000662278016 1042654463 /nfs/dbraw/zinc/65/44/63/1042654463.db2.gz ZFSMGWSNYFIZFH-BBRMVZONSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000662278016 1042654465 /nfs/dbraw/zinc/65/44/65/1042654465.db2.gz ZFSMGWSNYFIZFH-BBRMVZONSA-N 2 1 326.456 3.521 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291992 1042665033 /nfs/dbraw/zinc/66/50/33/1042665033.db2.gz BOZFSMFGOFCXDZ-INIZCTEOSA-N 2 1 345.512 3.923 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)[C@@H]1CCC[NH3+] ZINC000662317911 1042683141 /nfs/dbraw/zinc/68/31/41/1042683141.db2.gz VLXAUALRVUIFQJ-RHSMWYFYSA-N 2 1 331.435 3.820 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C(C3CC3)C3CC3)CC2)cs1 ZINC000161772501 1042684957 /nfs/dbraw/zinc/68/49/57/1042684957.db2.gz ZKFUCGSYTFONKK-UHFFFAOYSA-N 2 1 333.545 3.696 20 0 EHADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])o2)cc1 ZINC000662317050 1042685299 /nfs/dbraw/zinc/68/52/99/1042685299.db2.gz YYJXREAZSOWWPE-CRAIPNDOSA-N 2 1 343.471 3.690 20 0 EHADMP FC(F)(F)c1cscc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344389 1042730908 /nfs/dbraw/zinc/73/09/08/1042730908.db2.gz SMGTYZALIHWEKO-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1cscc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344389 1042730914 /nfs/dbraw/zinc/73/09/14/1042730914.db2.gz SMGTYZALIHWEKO-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1cscc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344389 1042730920 /nfs/dbraw/zinc/73/09/20/1042730920.db2.gz SMGTYZALIHWEKO-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1Cl ZINC000165303880 1042769722 /nfs/dbraw/zinc/76/97/22/1042769722.db2.gz KHCKVDIVZHURTM-FUHWJXTLSA-N 2 1 343.902 3.950 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)c2C1 ZINC000662705248 1042835563 /nfs/dbraw/zinc/83/55/63/1042835563.db2.gz NNTRMCHXYCSROR-HXUWFJFHSA-N 2 1 335.451 3.585 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)c2C1 ZINC000662705248 1042835565 /nfs/dbraw/zinc/83/55/65/1042835565.db2.gz NNTRMCHXYCSROR-HXUWFJFHSA-N 2 1 335.451 3.585 20 0 EHADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466176 1042887724 /nfs/dbraw/zinc/88/77/24/1042887724.db2.gz OWAQJKWQFWJQJP-XLIONFOSSA-N 2 1 328.500 3.784 20 0 EHADMP c1ccc([C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)c2ccccn2)cc1 ZINC000663471756 1042900329 /nfs/dbraw/zinc/90/03/29/1042900329.db2.gz XVCMPGQUPJUXDC-KNQAVFIVSA-N 2 1 335.495 3.883 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)(F)F)c1 ZINC000278906652 1042902524 /nfs/dbraw/zinc/90/25/24/1042902524.db2.gz GHJMBRLWQWCLEU-CHWSQXEVSA-N 2 1 339.361 3.695 20 0 EHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786130 1042975442 /nfs/dbraw/zinc/97/54/42/1042975442.db2.gz VWROXGHDTKGTDO-NOZJJQNGSA-N 2 1 335.225 3.815 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001167838438 1043045189 /nfs/dbraw/zinc/04/51/89/1043045189.db2.gz UODYXRJLMMLAIM-LJQANCHMSA-N 2 1 349.538 3.844 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001167839639 1043053573 /nfs/dbraw/zinc/05/35/73/1043053573.db2.gz AWNCXBOULBFRHU-SFHVURJKSA-N 2 1 328.504 3.856 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001167842345 1043160020 /nfs/dbraw/zinc/16/00/20/1043160020.db2.gz WNKQFUVLPFUZRD-KXBFYZLASA-N 2 1 340.458 3.849 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001167842345 1043160026 /nfs/dbraw/zinc/16/00/26/1043160026.db2.gz WNKQFUVLPFUZRD-KXBFYZLASA-N 2 1 340.458 3.849 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001167842500 1043165940 /nfs/dbraw/zinc/16/59/40/1043165940.db2.gz YELXNVMMORXDHP-IRXDYDNUSA-N 2 1 326.525 3.693 20 0 EHADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638721114 1043308562 /nfs/dbraw/zinc/30/85/62/1043308562.db2.gz XMODGLCMZMLISZ-AZUAARDMSA-N 2 1 328.500 3.761 20 0 EHADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638721114 1043308568 /nfs/dbraw/zinc/30/85/68/1043308568.db2.gz XMODGLCMZMLISZ-AZUAARDMSA-N 2 1 328.500 3.761 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)sc2C1 ZINC000344195934 1043396941 /nfs/dbraw/zinc/39/69/41/1043396941.db2.gz JZFSNLKKUOIWFT-HRCADAONSA-N 2 1 333.545 3.968 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)sc2C1 ZINC000344195934 1043396955 /nfs/dbraw/zinc/39/69/55/1043396955.db2.gz JZFSNLKKUOIWFT-HRCADAONSA-N 2 1 333.545 3.968 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@H]3c3cccnc3)CC2)C1 ZINC000344244264 1043507050 /nfs/dbraw/zinc/50/70/50/1043507050.db2.gz JVAOLHPMEYJPBM-SEVLPDGMSA-N 2 1 343.515 3.544 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2)c1 ZINC000279199741 1043551674 /nfs/dbraw/zinc/55/16/74/1043551674.db2.gz UUJNOTGBOYWJHE-UHFFFAOYSA-N 2 1 334.467 3.614 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000152030226 1044805004 /nfs/dbraw/zinc/80/50/04/1044805004.db2.gz PBCYMWKMOWESMI-UYAOXDASSA-N 2 1 332.532 3.691 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071543 1126839325 /nfs/dbraw/zinc/83/93/25/1126839325.db2.gz ROTZLIYILROQMH-SFHLNBCPSA-N 2 1 330.516 3.864 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccnc(Oc3ccccc3)c2)CC1(C)C ZINC000623354812 1126931753 /nfs/dbraw/zinc/93/17/53/1126931753.db2.gz JNOVVRWNCOMTHA-KRWDZBQOSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1(C)C ZINC000623354812 1126931757 /nfs/dbraw/zinc/93/17/57/1126931757.db2.gz JNOVVRWNCOMTHA-KRWDZBQOSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1(C)C ZINC000623354812 1126931761 /nfs/dbraw/zinc/93/17/61/1126931761.db2.gz JNOVVRWNCOMTHA-KRWDZBQOSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(OCc3ccccn3)cc2)CC1(C)C ZINC000623363417 1126932722 /nfs/dbraw/zinc/93/27/22/1126932722.db2.gz SYIZEYOOMCYUOH-GOSISDBHSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1(C)C ZINC000623363417 1126932725 /nfs/dbraw/zinc/93/27/25/1126932725.db2.gz SYIZEYOOMCYUOH-GOSISDBHSA-N 2 1 339.483 3.623 20 0 EHADMP c1[nH]nc2cccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000623383539 1126939533 /nfs/dbraw/zinc/93/95/33/1126939533.db2.gz ZBYPCAIPQDHEDM-GOSISDBHSA-N 2 1 334.467 3.565 20 0 EHADMP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000623383540 1126939665 /nfs/dbraw/zinc/93/96/65/1126939665.db2.gz ZBYPCAIPQDHEDM-SFHVURJKSA-N 2 1 334.467 3.565 20 0 EHADMP C[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528968 1126977238 /nfs/dbraw/zinc/97/72/38/1126977238.db2.gz OHJQHGIKAVFSQD-NHCUHLMSSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528968 1126977240 /nfs/dbraw/zinc/97/72/40/1126977240.db2.gz OHJQHGIKAVFSQD-NHCUHLMSSA-N 2 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528968 1126977244 /nfs/dbraw/zinc/97/72/44/1126977244.db2.gz OHJQHGIKAVFSQD-NHCUHLMSSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528968 1126977246 /nfs/dbraw/zinc/97/72/46/1126977246.db2.gz OHJQHGIKAVFSQD-NHCUHLMSSA-N 3 1 343.559 3.751 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623528968 1126977248 /nfs/dbraw/zinc/97/72/48/1126977248.db2.gz OHJQHGIKAVFSQD-NHCUHLMSSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528968 1126977250 /nfs/dbraw/zinc/97/72/50/1126977250.db2.gz OHJQHGIKAVFSQD-NHCUHLMSSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623528968 1126977252 /nfs/dbraw/zinc/97/72/52/1126977252.db2.gz OHJQHGIKAVFSQD-NHCUHLMSSA-N 3 1 343.559 3.751 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000180053044 1127115034 /nfs/dbraw/zinc/11/50/34/1127115034.db2.gz IKBOPRKARLWBEE-NRFANRHFSA-N 2 1 346.515 3.627 20 0 EHADMP C[C@H]1C[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CC[N@H+]1C ZINC000351205545 1127153784 /nfs/dbraw/zinc/15/37/84/1127153784.db2.gz ALZBXPZRMWNEPN-YJBOKZPZSA-N 2 1 340.471 3.530 20 0 EHADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000624046596 1127242154 /nfs/dbraw/zinc/24/21/54/1127242154.db2.gz CSHGIGRILIRPGI-UHOSZYNNSA-N 2 1 327.497 3.533 20 0 EHADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000624046596 1127242158 /nfs/dbraw/zinc/24/21/58/1127242158.db2.gz CSHGIGRILIRPGI-UHOSZYNNSA-N 2 1 327.497 3.533 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000366366952 1127398515 /nfs/dbraw/zinc/39/85/15/1127398515.db2.gz RGAZRHFSJFMYEK-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000366366952 1127398520 /nfs/dbraw/zinc/39/85/20/1127398520.db2.gz RGAZRHFSJFMYEK-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1)C[NH+]1CCCCC1 ZINC000325390553 1127505440 /nfs/dbraw/zinc/50/54/40/1127505440.db2.gz PSCQWBBCKCFMEI-QZTJIDSGSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382410713 1127508442 /nfs/dbraw/zinc/50/84/42/1127508442.db2.gz FXQSKSDUYDCVGH-UHOSZYNNSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cnn(-c2ccccc2)c1 ZINC000325406189 1127563497 /nfs/dbraw/zinc/56/34/97/1127563497.db2.gz ROWPXJOYUYNGRI-HNNXBMFYSA-N 2 1 326.488 3.832 20 0 EHADMP C[C@H]([NH2+][C@H]1COCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385672962 1127610268 /nfs/dbraw/zinc/61/02/68/1127610268.db2.gz FDINATCMOCHPNZ-KPLVRAHFSA-N 2 1 336.479 3.758 20 0 EHADMP C[C@H]([NH2+][C@H]1COCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385672962 1127610271 /nfs/dbraw/zinc/61/02/71/1127610271.db2.gz FDINATCMOCHPNZ-KPLVRAHFSA-N 2 1 336.479 3.758 20 0 EHADMP C[C@H]([NH2+][C@@H]1COCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385672970 1127610328 /nfs/dbraw/zinc/61/03/28/1127610328.db2.gz FDINATCMOCHPNZ-LRXVAGHRSA-N 2 1 336.479 3.758 20 0 EHADMP C[C@H]([NH2+][C@@H]1COCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385672970 1127610329 /nfs/dbraw/zinc/61/03/29/1127610329.db2.gz FDINATCMOCHPNZ-LRXVAGHRSA-N 2 1 336.479 3.758 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844160 1128059152 /nfs/dbraw/zinc/05/91/52/1128059152.db2.gz QKQKFFMXSXRNTF-MRXNPFEDSA-N 2 1 342.487 3.537 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844160 1128059156 /nfs/dbraw/zinc/05/91/56/1128059156.db2.gz QKQKFFMXSXRNTF-MRXNPFEDSA-N 2 1 342.487 3.537 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000166262028 1128093872 /nfs/dbraw/zinc/09/38/72/1128093872.db2.gz JVDCSNYHGRDXOK-BHDDXSALSA-N 2 1 341.543 3.676 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCCC(C)C ZINC000126657677 1128103807 /nfs/dbraw/zinc/10/38/07/1128103807.db2.gz MZICRYVLGRAJIF-RBUKOAKNSA-N 2 1 346.515 3.837 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCCC(C)C ZINC000126657677 1128103810 /nfs/dbraw/zinc/10/38/10/1128103810.db2.gz MZICRYVLGRAJIF-RBUKOAKNSA-N 2 1 346.515 3.837 20 0 EHADMP CC(C)C[N@H+](CCc1ccccc1)Cc1ncc(C[NH+](C)C)s1 ZINC000347601965 1128130322 /nfs/dbraw/zinc/13/03/22/1128130322.db2.gz BSHRVDKVJMBOHF-UHFFFAOYSA-N 2 1 331.529 3.905 20 0 EHADMP CC(C)C[N@@H+](CCc1ccccc1)Cc1ncc(C[NH+](C)C)s1 ZINC000347601965 1128130324 /nfs/dbraw/zinc/13/03/24/1128130324.db2.gz BSHRVDKVJMBOHF-UHFFFAOYSA-N 2 1 331.529 3.905 20 0 EHADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2cscc2Br)cc1 ZINC000352245752 1128180980 /nfs/dbraw/zinc/18/09/80/1128180980.db2.gz JRBYFQFPUAIXBW-UHFFFAOYSA-N 2 1 339.302 3.862 20 0 EHADMP CCCCc1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)CCCC)CC2)n1 ZINC000066960607 1128230344 /nfs/dbraw/zinc/23/03/44/1128230344.db2.gz ROWNSFLMAGOPKX-MRXNPFEDSA-N 2 1 336.524 3.917 20 0 EHADMP CCCCc1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)CCCC)CC2)n1 ZINC000066960607 1128230347 /nfs/dbraw/zinc/23/03/47/1128230347.db2.gz ROWNSFLMAGOPKX-MRXNPFEDSA-N 2 1 336.524 3.917 20 0 EHADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001168601577 1128280251 /nfs/dbraw/zinc/28/02/51/1128280251.db2.gz PCWKOGDPLAZZGN-GJZGRUSLSA-N 2 1 334.464 3.713 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000623656878 1128451857 /nfs/dbraw/zinc/45/18/57/1128451857.db2.gz DOEXVYZRMLGNRT-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1Br ZINC000091469762 1128459056 /nfs/dbraw/zinc/45/90/56/1128459056.db2.gz WPBVXRFTVXCVOA-HNNXBMFYSA-N 2 1 325.294 3.577 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303678117 1128687270 /nfs/dbraw/zinc/68/72/70/1128687270.db2.gz IGTOTMAOJFCXAO-OALUTQOASA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303678117 1128687272 /nfs/dbraw/zinc/68/72/72/1128687272.db2.gz IGTOTMAOJFCXAO-OALUTQOASA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303678117 1128687274 /nfs/dbraw/zinc/68/72/74/1128687274.db2.gz IGTOTMAOJFCXAO-OALUTQOASA-N 2 1 338.536 3.696 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168673938 1128781240 /nfs/dbraw/zinc/78/12/40/1128781240.db2.gz UHALHQMBVIGYEX-AZUAARDMSA-N 2 1 334.504 3.579 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815813 1128785060 /nfs/dbraw/zinc/78/50/60/1128785060.db2.gz JSVROZZROPRQOC-LAUBAEHRSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921815813 1128785063 /nfs/dbraw/zinc/78/50/63/1128785063.db2.gz JSVROZZROPRQOC-LAUBAEHRSA-N 2 1 338.499 3.608 20 0 EHADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168692851 1128887425 /nfs/dbraw/zinc/88/74/25/1128887425.db2.gz AOOOFEODLOZLMQ-RBAQFSTRSA-N 2 1 338.882 3.527 20 0 EHADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168692851 1128887430 /nfs/dbraw/zinc/88/74/30/1128887430.db2.gz AOOOFEODLOZLMQ-RBAQFSTRSA-N 2 1 338.882 3.527 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H](C)[C@H](C)C3)CC2)oc1C ZINC000129634213 1120148909 /nfs/dbraw/zinc/14/89/09/1120148909.db2.gz XIKMOFXXQGZVIZ-QMTMVMCOSA-N 2 1 333.520 3.918 20 0 EHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001648994569 1120338595 /nfs/dbraw/zinc/33/85/95/1120338595.db2.gz VKSHRRCJFNTBAO-FQEVSTJZSA-N 2 1 343.515 3.876 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831253 1120476632 /nfs/dbraw/zinc/47/66/32/1120476632.db2.gz DOPYEIQMBBTBBN-SFHVURJKSA-N 2 1 332.488 3.638 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831253 1120476635 /nfs/dbraw/zinc/47/66/35/1120476635.db2.gz DOPYEIQMBBTBBN-SFHVURJKSA-N 2 1 332.488 3.638 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831253 1120476637 /nfs/dbraw/zinc/47/66/37/1120476637.db2.gz DOPYEIQMBBTBBN-SFHVURJKSA-N 2 1 332.488 3.638 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831253 1120476641 /nfs/dbraw/zinc/47/66/41/1120476641.db2.gz DOPYEIQMBBTBBN-SFHVURJKSA-N 2 1 332.488 3.638 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000189565698 1120595564 /nfs/dbraw/zinc/59/55/64/1120595564.db2.gz TWGUOMLVAVOWMB-HKBOAZHASA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000715188708 1120685058 /nfs/dbraw/zinc/68/50/58/1120685058.db2.gz YQWVVTPIDSYNEM-XVAXZDLZSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000715188708 1120685062 /nfs/dbraw/zinc/68/50/62/1120685062.db2.gz YQWVVTPIDSYNEM-XVAXZDLZSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000195020622 1120760247 /nfs/dbraw/zinc/76/02/47/1120760247.db2.gz PXFRQZKZJLJCHO-INIZCTEOSA-N 2 1 328.422 3.912 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000347441721 1120963232 /nfs/dbraw/zinc/96/32/32/1120963232.db2.gz PUYDATGPRLZYQR-HLAWJBBLSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000347441721 1120963234 /nfs/dbraw/zinc/96/32/34/1120963234.db2.gz PUYDATGPRLZYQR-HLAWJBBLSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441721 1120963236 /nfs/dbraw/zinc/96/32/36/1120963236.db2.gz PUYDATGPRLZYQR-HLAWJBBLSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441721 1120963238 /nfs/dbraw/zinc/96/32/38/1120963238.db2.gz PUYDATGPRLZYQR-HLAWJBBLSA-N 2 1 330.516 3.931 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168490233 1121299278 /nfs/dbraw/zinc/29/92/78/1121299278.db2.gz YEAUJIWCCKXXSX-OAHLLOKOSA-N 2 1 327.447 3.699 20 0 EHADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000171689631 1121432654 /nfs/dbraw/zinc/43/26/54/1121432654.db2.gz FWFRNCQXDLGIIA-UHFFFAOYSA-N 2 1 339.483 3.631 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000762926384 1121525935 /nfs/dbraw/zinc/52/59/35/1121525935.db2.gz QFMYFZGTMQJPBL-NHCUHLMSSA-N 2 1 341.499 3.950 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000762926384 1121525941 /nfs/dbraw/zinc/52/59/41/1121525941.db2.gz QFMYFZGTMQJPBL-NHCUHLMSSA-N 2 1 341.499 3.950 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706367 1128995987 /nfs/dbraw/zinc/99/59/87/1128995987.db2.gz XBIRYVOPDZDCQB-PVUWLOKVSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706367 1128995989 /nfs/dbraw/zinc/99/59/89/1128995989.db2.gz XBIRYVOPDZDCQB-PVUWLOKVSA-N 2 1 337.305 3.899 20 0 EHADMP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763209994 1121882488 /nfs/dbraw/zinc/88/24/88/1121882488.db2.gz JBSGBFYVUDENQI-AZUAARDMSA-N 2 1 349.563 3.569 20 0 EHADMP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763209994 1121882493 /nfs/dbraw/zinc/88/24/93/1121882493.db2.gz JBSGBFYVUDENQI-AZUAARDMSA-N 2 1 349.563 3.569 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000398010456 1121959088 /nfs/dbraw/zinc/95/90/88/1121959088.db2.gz COUZMVFWVVDMTA-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124374735 1122282900 /nfs/dbraw/zinc/28/29/00/1122282900.db2.gz RGGZKNFSARWZOY-KRWDZBQOSA-N 2 1 343.515 3.665 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243862 1122894846 /nfs/dbraw/zinc/89/48/46/1122894846.db2.gz PRXBWMBASDVXBD-PKOBYXMFSA-N 2 1 334.467 3.507 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243862 1122894852 /nfs/dbraw/zinc/89/48/52/1122894852.db2.gz PRXBWMBASDVXBD-PKOBYXMFSA-N 2 1 334.467 3.507 20 0 EHADMP CC[N@@H+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)C ZINC000499161341 1123256646 /nfs/dbraw/zinc/25/66/46/1123256646.db2.gz LOCHWBSOTRUNMJ-WKCHPHFGSA-N 2 1 329.532 3.502 20 0 EHADMP CC[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000499161341 1123256650 /nfs/dbraw/zinc/25/66/50/1123256650.db2.gz LOCHWBSOTRUNMJ-WKCHPHFGSA-N 2 1 329.532 3.502 20 0 EHADMP CC[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000499161341 1123256654 /nfs/dbraw/zinc/25/66/54/1123256654.db2.gz LOCHWBSOTRUNMJ-WKCHPHFGSA-N 2 1 329.532 3.502 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000132648678 1123265602 /nfs/dbraw/zinc/26/56/02/1123265602.db2.gz XHFUFSFYHOEWDI-IBGZPJMESA-N 2 1 327.447 3.891 20 0 EHADMP C[NH+](C)Cc1cccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000076129470 1123472644 /nfs/dbraw/zinc/47/26/44/1123472644.db2.gz KXXBHGCBHYJQJR-UHFFFAOYSA-N 2 1 346.519 3.524 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245673626 1123919017 /nfs/dbraw/zinc/91/90/17/1123919017.db2.gz HSOXMNOSBRXPHL-WOZUAGRISA-N 2 1 344.543 3.815 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000245857856 1123961931 /nfs/dbraw/zinc/96/19/31/1123961931.db2.gz NXXHEVQSXNQQLC-ROUUACIJSA-N 2 1 346.563 3.804 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000245895712 1123971178 /nfs/dbraw/zinc/97/11/78/1123971178.db2.gz DISFIJJQMQRLRQ-WIYYLYMNSA-N 2 1 343.559 3.757 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000246034547 1124003999 /nfs/dbraw/zinc/00/39/99/1124003999.db2.gz MQARVOKPGYFUOS-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1nccn1C ZINC000246034547 1124004002 /nfs/dbraw/zinc/00/40/02/1124004002.db2.gz MQARVOKPGYFUOS-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246325249 1124087215 /nfs/dbraw/zinc/08/72/15/1124087215.db2.gz FRTQAYILTMADHP-WMLDXEAASA-N 2 1 344.421 3.585 20 0 EHADMP COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246459256 1124473616 /nfs/dbraw/zinc/47/36/16/1124473616.db2.gz FHVOZMRNKSNQPT-GHTZIAJQSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246459256 1124473621 /nfs/dbraw/zinc/47/36/21/1124473621.db2.gz FHVOZMRNKSNQPT-GHTZIAJQSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246459256 1124473628 /nfs/dbraw/zinc/47/36/28/1124473628.db2.gz FHVOZMRNKSNQPT-GHTZIAJQSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246459256 1124473630 /nfs/dbraw/zinc/47/36/30/1124473630.db2.gz FHVOZMRNKSNQPT-GHTZIAJQSA-N 2 1 328.500 3.577 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000246864303 1124558662 /nfs/dbraw/zinc/55/86/62/1124558662.db2.gz DDRDHZIFDBICEL-CEWLAPEOSA-N 2 1 329.532 3.532 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000247016367 1124578705 /nfs/dbraw/zinc/57/87/05/1124578705.db2.gz KPSSXBILUWJMHQ-RZQQEMMASA-N 2 1 346.515 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000247016367 1124578712 /nfs/dbraw/zinc/57/87/12/1124578712.db2.gz KPSSXBILUWJMHQ-RZQQEMMASA-N 2 1 346.515 3.835 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247158723 1124592136 /nfs/dbraw/zinc/59/21/36/1124592136.db2.gz XORQNCFTBGKQHP-YWTNHNAXSA-N 2 1 349.950 3.793 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)o1 ZINC000248168083 1124643952 /nfs/dbraw/zinc/64/39/52/1124643952.db2.gz UDYUOQIMCZAWBA-HKUYNNGSSA-N 2 1 342.483 3.834 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199652 1124645044 /nfs/dbraw/zinc/64/50/44/1124645044.db2.gz YFPYMEQGZGHALD-RDTXWAMCSA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199652 1124645047 /nfs/dbraw/zinc/64/50/47/1124645047.db2.gz YFPYMEQGZGHALD-RDTXWAMCSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199652 1124645050 /nfs/dbraw/zinc/64/50/50/1124645050.db2.gz YFPYMEQGZGHALD-RDTXWAMCSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000248199652 1124645053 /nfs/dbraw/zinc/64/50/53/1124645053.db2.gz YFPYMEQGZGHALD-RDTXWAMCSA-N 2 1 329.875 3.804 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248854108 1124707576 /nfs/dbraw/zinc/70/75/76/1124707576.db2.gz QPUOUZFNMJZUAC-RLLQIKCJSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248854108 1124707585 /nfs/dbraw/zinc/70/75/85/1124707585.db2.gz QPUOUZFNMJZUAC-RLLQIKCJSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248854108 1124707594 /nfs/dbraw/zinc/70/75/94/1124707594.db2.gz QPUOUZFNMJZUAC-RLLQIKCJSA-N 2 1 332.532 3.817 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2)C1 ZINC000249153585 1124742503 /nfs/dbraw/zinc/74/25/03/1124742503.db2.gz VRJDMJLHCASJNV-BMQTXXJKSA-N 2 1 330.516 3.679 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CCOCC1 ZINC000091339321 1124977134 /nfs/dbraw/zinc/97/71/34/1124977134.db2.gz GGMVKEAENRSOOC-IBGZPJMESA-N 2 1 334.479 3.757 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nccs2)ccc1OC ZINC000182526746 1125325674 /nfs/dbraw/zinc/32/56/74/1125325674.db2.gz RBWYHPRPDVJXJC-AWEZNQCLSA-N 2 1 333.501 3.844 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]21 ZINC000261884058 1125388430 /nfs/dbraw/zinc/38/84/30/1125388430.db2.gz MXWFQGLCGGUPDH-XOKHGSTOSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]21 ZINC000261884058 1125388434 /nfs/dbraw/zinc/38/84/34/1125388434.db2.gz MXWFQGLCGGUPDH-XOKHGSTOSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704433 1129210904 /nfs/dbraw/zinc/21/09/04/1129210904.db2.gz GGLVNWMJQFCWDK-KRWDZBQOSA-N 2 1 344.861 3.896 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cccc(Oc2ccccn2)c1)C1CC1 ZINC000922171196 1129283631 /nfs/dbraw/zinc/28/36/31/1129283631.db2.gz JBQLVDIEQLFDDX-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000765978234 1129384146 /nfs/dbraw/zinc/38/41/46/1129384146.db2.gz TYTOYBFMXYJJDD-NHCUHLMSSA-N 2 1 346.515 3.769 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000673599779 1129609579 /nfs/dbraw/zinc/60/95/79/1129609579.db2.gz DITNWLWBDGRSIQ-ZDUSSCGKSA-N 2 1 345.300 3.839 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000922730097 1129646128 /nfs/dbraw/zinc/64/61/28/1129646128.db2.gz JDQGHKIZPXUFRJ-BSWAZPDLSA-N 2 1 326.406 3.828 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000922730097 1129646131 /nfs/dbraw/zinc/64/61/31/1129646131.db2.gz JDQGHKIZPXUFRJ-BSWAZPDLSA-N 2 1 326.406 3.828 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436823 1129712100 /nfs/dbraw/zinc/71/21/00/1129712100.db2.gz JMBYTPBKYHMVNP-GCJKJVERSA-N 2 1 338.470 3.967 20 0 EHADMP CCc1ccc(CN(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000347857933 1129934926 /nfs/dbraw/zinc/93/49/26/1129934926.db2.gz CNLVOWLFYIBKNQ-OAQYLSRUSA-N 2 1 337.511 3.988 20 0 EHADMP CCc1ccc(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000347857933 1129934932 /nfs/dbraw/zinc/93/49/32/1129934932.db2.gz CNLVOWLFYIBKNQ-OAQYLSRUSA-N 2 1 337.511 3.988 20 0 EHADMP CCc1ccc(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000347857933 1129934933 /nfs/dbraw/zinc/93/49/33/1129934933.db2.gz CNLVOWLFYIBKNQ-OAQYLSRUSA-N 2 1 337.511 3.988 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)cc1 ZINC000347881637 1129973958 /nfs/dbraw/zinc/97/39/58/1129973958.db2.gz SIAVGUPECLLIET-YLJYHZDGSA-N 2 1 349.478 3.683 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000658094805 1130147443 /nfs/dbraw/zinc/14/74/43/1130147443.db2.gz AWYPFXGRNBWTCG-NYLDSWQDSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000922895771 1130345917 /nfs/dbraw/zinc/34/59/17/1130345917.db2.gz GPWPOGXLGABIBI-XYEHWOGUSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000922895771 1130345923 /nfs/dbraw/zinc/34/59/23/1130345923.db2.gz GPWPOGXLGABIBI-XYEHWOGUSA-N 2 1 342.527 3.834 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000675493422 1130414466 /nfs/dbraw/zinc/41/44/66/1130414466.db2.gz ICQJELFQWWPVPM-HKBOAZHASA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000675493422 1130414469 /nfs/dbraw/zinc/41/44/69/1130414469.db2.gz ICQJELFQWWPVPM-HKBOAZHASA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000675493422 1130414471 /nfs/dbraw/zinc/41/44/71/1130414471.db2.gz ICQJELFQWWPVPM-HKBOAZHASA-N 2 1 330.516 3.961 20 0 EHADMP Cc1csc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000675748230 1130468792 /nfs/dbraw/zinc/46/87/92/1130468792.db2.gz FNOHBMGLQHQCBF-CQSZACIVSA-N 2 1 326.469 3.839 20 0 EHADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675880901 1130500543 /nfs/dbraw/zinc/50/05/43/1130500543.db2.gz IQIPREPRDRMYKP-LAUBAEHRSA-N 2 1 346.515 3.769 20 0 EHADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000675925768 1130503696 /nfs/dbraw/zinc/50/36/96/1130503696.db2.gz BWNVHNPCFQMZNH-IBGZPJMESA-N 2 1 344.499 3.906 20 0 EHADMP CCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000675902692 1130506030 /nfs/dbraw/zinc/50/60/30/1130506030.db2.gz ZFOMQYYPLAQFDQ-QFBILLFUSA-N 2 1 335.561 3.595 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000347935604 1131092759 /nfs/dbraw/zinc/09/27/59/1131092759.db2.gz QARFDXMVTWIQJN-IUODEOHRSA-N 2 1 346.441 3.587 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000347935604 1131092763 /nfs/dbraw/zinc/09/27/63/1131092763.db2.gz QARFDXMVTWIQJN-IUODEOHRSA-N 2 1 346.441 3.587 20 0 EHADMP S=c1ccn(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000739877010 1131512440 /nfs/dbraw/zinc/51/24/40/1131512440.db2.gz RZXOOVULJHMFPG-MRXNPFEDSA-N 2 1 327.497 3.746 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000180129987 1131644908 /nfs/dbraw/zinc/64/49/08/1131644908.db2.gz ZPNFMZQQGSWZIR-HOTGVXAUSA-N 2 1 326.488 3.943 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172469815 1131733612 /nfs/dbraw/zinc/73/36/12/1131733612.db2.gz USEUQWAVZQYDRY-DYXWJJEUSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172469815 1131733617 /nfs/dbraw/zinc/73/36/17/1131733617.db2.gz USEUQWAVZQYDRY-DYXWJJEUSA-N 2 1 332.532 3.938 20 0 EHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172606301 1131788055 /nfs/dbraw/zinc/78/80/55/1131788055.db2.gz UAMNLPJRYXQINA-RWQQGDIJSA-N 2 1 336.520 3.623 20 0 EHADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@@H]1F ZINC001206174153 1131828952 /nfs/dbraw/zinc/82/89/52/1131828952.db2.gz LZDUADSOUZOIDD-ROUUACIJSA-N 2 1 332.394 3.879 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CC[C@@H]1F ZINC001206174153 1131828956 /nfs/dbraw/zinc/82/89/56/1131828956.db2.gz LZDUADSOUZOIDD-ROUUACIJSA-N 2 1 332.394 3.879 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172772571 1131841613 /nfs/dbraw/zinc/84/16/13/1131841613.db2.gz MTKAZWDAGOMZMW-ROUUACIJSA-N 2 1 326.525 3.600 20 0 EHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172874037 1131894011 /nfs/dbraw/zinc/89/40/11/1131894011.db2.gz ZUKULKMXIITLTH-HNNXBMFYSA-N 2 1 347.865 3.936 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173082659 1131961716 /nfs/dbraw/zinc/96/17/16/1131961716.db2.gz NXDBWSMOJCIZHD-ZBFHGGJFSA-N 2 1 344.421 3.838 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001173084981 1131962684 /nfs/dbraw/zinc/96/26/84/1131962684.db2.gz FVKNLHJFEJGSRU-DZGCQCFKSA-N 2 1 330.394 3.590 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001173106668 1131967482 /nfs/dbraw/zinc/96/74/82/1131967482.db2.gz BDODGNRSFWXQDW-UHFFFAOYSA-N 2 1 347.591 3.869 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1 ZINC001173112731 1131970495 /nfs/dbraw/zinc/97/04/95/1131970495.db2.gz AFTPODJQGIBWHP-UJKMTWAASA-N 2 1 341.543 3.598 20 0 EHADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173123850 1131973933 /nfs/dbraw/zinc/97/39/33/1131973933.db2.gz AHVDSJCHDHTRNU-HNNXBMFYSA-N 2 1 347.915 3.604 20 0 EHADMP CCN1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173356643 1132062077 /nfs/dbraw/zinc/06/20/77/1132062077.db2.gz GADCQIQATNXSBV-FHWLQOOXSA-N 2 1 335.923 3.506 20 0 EHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@@H]1F ZINC001206200348 1132070509 /nfs/dbraw/zinc/07/05/09/1132070509.db2.gz RESGCMSMNMBOIC-DLBZAZTESA-N 2 1 333.838 3.663 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@@H]1F ZINC001206200348 1132070517 /nfs/dbraw/zinc/07/05/17/1132070517.db2.gz RESGCMSMNMBOIC-DLBZAZTESA-N 2 1 333.838 3.663 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173477478 1132075978 /nfs/dbraw/zinc/07/59/78/1132075978.db2.gz OOLYWXIHUGGZBH-JCNLHEQBSA-N 2 1 334.454 3.947 20 0 EHADMP COC(=O)CCCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001173457653 1132081943 /nfs/dbraw/zinc/08/19/43/1132081943.db2.gz NLOJHEKOMVLJPD-ICSRJNTNSA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173457653 1132081952 /nfs/dbraw/zinc/08/19/52/1132081952.db2.gz NLOJHEKOMVLJPD-ICSRJNTNSA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173457653 1132081960 /nfs/dbraw/zinc/08/19/60/1132081960.db2.gz NLOJHEKOMVLJPD-ICSRJNTNSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379645646 1132198427 /nfs/dbraw/zinc/19/84/27/1132198427.db2.gz IFGXTVXURDWRPP-DZGCQCFKSA-N 2 1 332.435 3.882 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379645646 1132198431 /nfs/dbraw/zinc/19/84/31/1132198431.db2.gz IFGXTVXURDWRPP-DZGCQCFKSA-N 2 1 332.435 3.882 20 0 EHADMP C[C@H]1CSCC[NH+](CCCCC[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000190417146 1132453476 /nfs/dbraw/zinc/45/34/76/1132453476.db2.gz ZIQINFVOOULARJ-IAGOWNOFSA-N 2 1 330.607 3.527 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)C2 ZINC001169098864 1132654775 /nfs/dbraw/zinc/65/47/75/1132654775.db2.gz LVFYBYSPKWLNLG-MZADTFQBSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)C2 ZINC001169098864 1132654778 /nfs/dbraw/zinc/65/47/78/1132654778.db2.gz LVFYBYSPKWLNLG-MZADTFQBSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(Br)cc31)C2 ZINC001169080948 1132657933 /nfs/dbraw/zinc/65/79/33/1132657933.db2.gz NYJHEGUEYYOCIH-IVSAIRAKSA-N 2 1 335.289 3.651 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(Br)cc1)C2 ZINC001169089799 1132661156 /nfs/dbraw/zinc/66/11/56/1132661156.db2.gz FZPDJWZLMKSTJY-PHZGNYQRSA-N 2 1 337.305 3.899 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001169122588 1132663125 /nfs/dbraw/zinc/66/31/25/1132663125.db2.gz ATTIIXJQESDGEE-BQJWPVKWSA-N 2 1 335.289 3.520 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124736 1132665258 /nfs/dbraw/zinc/66/52/58/1132665258.db2.gz OQBWMEXCKDUCMQ-MJGOQNOKSA-N 2 1 338.499 3.615 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3nc4ccccc4o3)CC1)C2 ZINC001169126337 1132665762 /nfs/dbraw/zinc/66/57/62/1132665762.db2.gz RWXUJGIBFXMASY-BJWYYQGGSA-N 2 1 325.456 3.632 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)C2 ZINC001169114917 1132673074 /nfs/dbraw/zinc/67/30/74/1132673074.db2.gz ZSSDQVIDGJWBSF-CUUWFGFTSA-N 2 1 336.479 3.676 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1)C2 ZINC001169114917 1132673077 /nfs/dbraw/zinc/67/30/77/1132673077.db2.gz ZSSDQVIDGJWBSF-CUUWFGFTSA-N 2 1 336.479 3.676 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115728 1132673107 /nfs/dbraw/zinc/67/31/07/1132673107.db2.gz NPOGNHWPLOIWFV-NXOAAHMSSA-N 2 1 339.405 3.766 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206003140 1132681762 /nfs/dbraw/zinc/68/17/62/1132681762.db2.gz FIXKBGLTTNHPPI-ZFWWWQNUSA-N 2 1 325.294 3.564 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(Cc3ccccc3Cl)CCOCC2)CC1 ZINC001169242149 1132707374 /nfs/dbraw/zinc/70/73/74/1132707374.db2.gz XMFIIEUJPZXRAL-UHFFFAOYSA-N 2 1 336.907 3.506 20 0 EHADMP C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001169933817 1132901587 /nfs/dbraw/zinc/90/15/87/1132901587.db2.gz SGCMIVAYFLJUEJ-SFHVURJKSA-N 2 1 330.516 3.919 20 0 EHADMP C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001169933817 1132901592 /nfs/dbraw/zinc/90/15/92/1132901592.db2.gz SGCMIVAYFLJUEJ-SFHVURJKSA-N 2 1 330.516 3.919 20 0 EHADMP Cc1ccccc1-n1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC001177294929 1133047561 /nfs/dbraw/zinc/04/75/61/1133047561.db2.gz SHFAFCJKNFGURH-QZTJIDSGSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001177294958 1133047729 /nfs/dbraw/zinc/04/77/29/1133047729.db2.gz UORVWTMNLYUCQR-HDICACEKSA-N 2 1 330.516 3.933 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001177294958 1133047735 /nfs/dbraw/zinc/04/77/35/1133047735.db2.gz UORVWTMNLYUCQR-HDICACEKSA-N 2 1 330.516 3.933 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC001177267681 1133050599 /nfs/dbraw/zinc/05/05/99/1133050599.db2.gz LISGNCZJQBAMMI-KNQAVFIVSA-N 2 1 343.559 3.883 20 0 EHADMP Cc1c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)sc2nc(C)nc(C)c12 ZINC000768229420 1133115426 /nfs/dbraw/zinc/11/54/26/1133115426.db2.gz KPOJCOCUUPVNLH-UHFFFAOYSA-N 2 1 346.544 3.921 20 0 EHADMP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Br ZINC001206310724 1133121351 /nfs/dbraw/zinc/12/13/51/1133121351.db2.gz ASGIRPOIUIZWPC-INIZCTEOSA-N 2 1 325.294 3.708 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(Br)c1 ZINC001178916712 1133212055 /nfs/dbraw/zinc/21/20/55/1133212055.db2.gz NKUMYSFJHBUARO-UHFFFAOYSA-N 2 1 330.229 3.695 20 0 EHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC001178970953 1133217950 /nfs/dbraw/zinc/21/79/50/1133217950.db2.gz AWYSQGNTWAKTDK-ZHHKINOHSA-N 2 1 344.543 3.939 20 0 EHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC001178970953 1133217953 /nfs/dbraw/zinc/21/79/53/1133217953.db2.gz AWYSQGNTWAKTDK-ZHHKINOHSA-N 2 1 344.543 3.939 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Br)c3)[C@@H]2C1 ZINC001179818605 1133287045 /nfs/dbraw/zinc/28/70/45/1133287045.db2.gz ZCURULPCVWSBKQ-GLQYFDAESA-N 2 1 343.696 3.532 20 0 EHADMP FC(F)C1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000769553395 1133314448 /nfs/dbraw/zinc/31/44/48/1133314448.db2.gz HJHSCKINPZLOCD-VWPKTGOWSA-N 2 1 334.454 3.920 20 0 EHADMP C[C@H](C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC000769683099 1133324167 /nfs/dbraw/zinc/32/41/67/1133324167.db2.gz VKLBRFOWLXRBIB-ZACQAIPSSA-N 2 1 341.540 3.532 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC001180083124 1133326702 /nfs/dbraw/zinc/32/67/02/1133326702.db2.gz XROQYFCBCGNIKZ-VQIMIIECSA-N 2 1 338.923 3.876 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769655003 1133326856 /nfs/dbraw/zinc/32/68/56/1133326856.db2.gz XPZDVDALGLCDBH-UHFFFAOYSA-N 2 1 334.895 3.701 20 0 EHADMP CC[C@@]1(O)CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001181073184 1133453836 /nfs/dbraw/zinc/45/38/36/1133453836.db2.gz NMYXYQUVNDFRTK-FCHUYYIVSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@]1(O)CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001181073184 1133453839 /nfs/dbraw/zinc/45/38/39/1133453839.db2.gz NMYXYQUVNDFRTK-FCHUYYIVSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@]1(O)CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001181073184 1133453843 /nfs/dbraw/zinc/45/38/43/1133453843.db2.gz NMYXYQUVNDFRTK-FCHUYYIVSA-N 2 1 344.543 3.772 20 0 EHADMP CCC[C@H](C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1)OC ZINC001181505487 1133494668 /nfs/dbraw/zinc/49/46/68/1133494668.db2.gz HJNPTLSFYVHGOV-GOSISDBHSA-N 2 1 335.879 3.854 20 0 EHADMP CC(C)(C)[C@]1(C[NH2+]CCC2(CO)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001181796474 1133528432 /nfs/dbraw/zinc/52/84/32/1133528432.db2.gz MSCZVAKDXQJJDB-QFIPXVFZSA-N 2 1 344.543 3.677 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccccc2C)CC1)CC1CC1 ZINC000771476125 1133560003 /nfs/dbraw/zinc/56/00/03/1133560003.db2.gz RPLRVPGJHSGSKT-JOCHJYFZSA-N 2 1 344.543 3.862 20 0 EHADMP CCCC[N@@H+](CC)[C@@H](C(=O)NC(C)(C)CC[NH+](C)C)c1ccccc1 ZINC001182237790 1133604330 /nfs/dbraw/zinc/60/43/30/1133604330.db2.gz RZBKOKCARXRIAX-LJQANCHMSA-N 2 1 347.547 3.696 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482889 1133687928 /nfs/dbraw/zinc/68/79/28/1133687928.db2.gz FIHLTWSQMQWHSJ-QIJUGHKUSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482889 1133687932 /nfs/dbraw/zinc/68/79/32/1133687932.db2.gz FIHLTWSQMQWHSJ-QIJUGHKUSA-N 2 1 338.495 3.671 20 0 EHADMP COCC[N@@H+](CCc1ccc(C(C)(C)C)cc1)CC1CC[NH+](C)CC1 ZINC001183255819 1133786321 /nfs/dbraw/zinc/78/63/21/1133786321.db2.gz FPBRRCOKYUBFON-UHFFFAOYSA-N 2 1 346.559 3.817 20 0 EHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205288901 1133886902 /nfs/dbraw/zinc/88/69/02/1133886902.db2.gz PXTRUXQJXROBDK-QGZVFWFLSA-N 2 1 348.288 3.701 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@@H]2C1 ZINC001184387512 1133933828 /nfs/dbraw/zinc/93/38/28/1133933828.db2.gz LSZOGURFPGHQLJ-ITFFBMHBSA-N 2 1 349.316 3.625 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000787301588 1133993119 /nfs/dbraw/zinc/99/31/19/1133993119.db2.gz IRFDKGWAZLBJRA-HDEZJCGLSA-N 2 1 341.326 3.926 20 0 EHADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001170081847 1134079863 /nfs/dbraw/zinc/07/98/63/1134079863.db2.gz QERSFIYSAXPGLH-CEWLAPEOSA-N 2 1 336.564 3.882 20 0 EHADMP CC(C)CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001170081847 1134079870 /nfs/dbraw/zinc/07/98/70/1134079870.db2.gz QERSFIYSAXPGLH-CEWLAPEOSA-N 2 1 336.564 3.882 20 0 EHADMP CC(C)CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001170081847 1134079876 /nfs/dbraw/zinc/07/98/76/1134079876.db2.gz QERSFIYSAXPGLH-CEWLAPEOSA-N 2 1 336.564 3.882 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC001186069752 1134164747 /nfs/dbraw/zinc/16/47/47/1134164747.db2.gz GNAINNYNHNHGRM-UKRRQHHQSA-N 2 1 327.476 3.585 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC001186069752 1134164749 /nfs/dbraw/zinc/16/47/49/1134164749.db2.gz GNAINNYNHNHGRM-UKRRQHHQSA-N 2 1 327.476 3.585 20 0 EHADMP ClC1(Cl)C[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789358730 1134255240 /nfs/dbraw/zinc/25/52/40/1134255240.db2.gz ULRBYEDFBADNES-ZDUSSCGKSA-N 2 1 328.287 3.593 20 0 EHADMP Cc1cc([NH+]2CCCCC2)ccc1Nc1cnn(CCC[NH+](C)C)c1 ZINC001187166634 1134309731 /nfs/dbraw/zinc/30/97/31/1134309731.db2.gz ZUNXKODKMGVJSX-UHFFFAOYSA-N 2 1 341.503 3.877 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]([C@@H]2CC[C@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001170121779 1134344702 /nfs/dbraw/zinc/34/47/02/1134344702.db2.gz NZEBPKBVDXHFKX-MVJPYGJCSA-N 2 1 344.499 3.734 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775375078 1134687790 /nfs/dbraw/zinc/68/77/90/1134687790.db2.gz IODQMUCZKSKCFS-MDMSPXHWSA-N 2 1 342.618 3.714 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000775383095 1134694248 /nfs/dbraw/zinc/69/42/48/1134694248.db2.gz ULPCHERWVXMOGF-ROUUACIJSA-N 3 1 347.547 3.672 20 0 EHADMP CC[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001170179522 1134699327 /nfs/dbraw/zinc/69/93/27/1134699327.db2.gz WKLMSEDJYMLSNM-XKRYSZRTSA-N 2 1 328.500 3.729 20 0 EHADMP CN(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC001170206018 1134705762 /nfs/dbraw/zinc/70/57/62/1134705762.db2.gz QKOLIVZGTNIWSR-QHCPKHFHSA-N 2 1 349.522 3.721 20 0 EHADMP CN(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC001170206018 1134705769 /nfs/dbraw/zinc/70/57/69/1134705769.db2.gz QKOLIVZGTNIWSR-QHCPKHFHSA-N 2 1 349.522 3.721 20 0 EHADMP CN(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC001170206018 1134705779 /nfs/dbraw/zinc/70/57/79/1134705779.db2.gz QKOLIVZGTNIWSR-QHCPKHFHSA-N 2 1 349.522 3.721 20 0 EHADMP Cc1cc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2[nH]1 ZINC001170330434 1134750167 /nfs/dbraw/zinc/75/01/67/1134750167.db2.gz NPBIMOIYWLEFNG-LDLYASANSA-N 2 1 347.466 3.825 20 0 EHADMP Cc1cc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2[nH]1 ZINC001170330434 1134750171 /nfs/dbraw/zinc/75/01/71/1134750171.db2.gz NPBIMOIYWLEFNG-LDLYASANSA-N 2 1 347.466 3.825 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366535 1134858233 /nfs/dbraw/zinc/85/82/33/1134858233.db2.gz GVOIOKSNQYUFIS-QFIPXVFZSA-N 2 1 343.559 3.836 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366535 1134858239 /nfs/dbraw/zinc/85/82/39/1134858239.db2.gz GVOIOKSNQYUFIS-QFIPXVFZSA-N 3 1 343.559 3.836 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366535 1134858244 /nfs/dbraw/zinc/85/82/44/1134858244.db2.gz GVOIOKSNQYUFIS-QFIPXVFZSA-N 3 1 343.559 3.836 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366535 1134858250 /nfs/dbraw/zinc/85/82/50/1134858250.db2.gz GVOIOKSNQYUFIS-QFIPXVFZSA-N 3 1 343.559 3.836 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366535 1134858255 /nfs/dbraw/zinc/85/82/55/1134858255.db2.gz GVOIOKSNQYUFIS-QFIPXVFZSA-N 3 1 343.559 3.836 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170427741 1134872729 /nfs/dbraw/zinc/87/27/29/1134872729.db2.gz YBIQCPKQAPBCOX-SJORKVTESA-N 2 1 332.488 3.589 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170427741 1134872732 /nfs/dbraw/zinc/87/27/32/1134872732.db2.gz YBIQCPKQAPBCOX-SJORKVTESA-N 2 1 332.488 3.589 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651259 1135200156 /nfs/dbraw/zinc/20/01/56/1135200156.db2.gz BTEOHBBGABFYQX-OCCSQVGLSA-N 2 1 325.294 3.564 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3CN(CCOC4CCCCCC4)C[C@H]3C2)cc1 ZINC001193991350 1135218393 /nfs/dbraw/zinc/21/83/93/1135218393.db2.gz SSIFMWRUAJEYGH-OYRHEFFESA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CCOC4CCCCCC4)C[C@@H]3C2)cc1 ZINC001193991350 1135218409 /nfs/dbraw/zinc/21/84/09/1135218409.db2.gz SSIFMWRUAJEYGH-OYRHEFFESA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCOC4CCCCCC4)C[C@@H]3C2)cc1 ZINC001193991350 1135218413 /nfs/dbraw/zinc/21/84/13/1135218413.db2.gz SSIFMWRUAJEYGH-OYRHEFFESA-N 2 1 342.527 3.790 20 0 EHADMP C[NH+]1CCC(C2CC[NH+](Cc3c(F)ccc(F)c3F)CC2)CC1 ZINC001137930345 1135359639 /nfs/dbraw/zinc/35/96/39/1135359639.db2.gz LNPWNFADPRULER-UHFFFAOYSA-N 2 1 326.406 3.658 20 0 EHADMP C[C@H]1CC[C@@H](C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)O1 ZINC001198203472 1135784812 /nfs/dbraw/zinc/78/48/12/1135784812.db2.gz ZVSUWKNTGZOCTI-ICSRJNTNSA-N 2 1 328.500 3.641 20 0 EHADMP CC(C)(C)n1cncc1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001198790234 1135853998 /nfs/dbraw/zinc/85/39/98/1135853998.db2.gz DYIIQGLLQMKVCK-GOSISDBHSA-N 2 1 332.536 3.694 20 0 EHADMP CC(C)(C)n1cncc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001198790234 1135854002 /nfs/dbraw/zinc/85/40/02/1135854002.db2.gz DYIIQGLLQMKVCK-GOSISDBHSA-N 2 1 332.536 3.694 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767965 1135880751 /nfs/dbraw/zinc/88/07/51/1135880751.db2.gz ZAZNHKXSEVDMMA-GDBMZVCRSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767965 1135880755 /nfs/dbraw/zinc/88/07/55/1135880755.db2.gz ZAZNHKXSEVDMMA-GDBMZVCRSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767965 1135880759 /nfs/dbraw/zinc/88/07/59/1135880759.db2.gz ZAZNHKXSEVDMMA-GDBMZVCRSA-N 2 1 326.456 3.917 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767968 1135880826 /nfs/dbraw/zinc/88/08/26/1135880826.db2.gz ZAZNHKXSEVDMMA-ZBFHGGJFSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767968 1135880829 /nfs/dbraw/zinc/88/08/29/1135880829.db2.gz ZAZNHKXSEVDMMA-ZBFHGGJFSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(SC(F)F)cc2)C1 ZINC000809767968 1135880832 /nfs/dbraw/zinc/88/08/32/1135880832.db2.gz ZAZNHKXSEVDMMA-ZBFHGGJFSA-N 2 1 326.456 3.917 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001199403146 1135903771 /nfs/dbraw/zinc/90/37/71/1135903771.db2.gz IEFYNSCKIQHRFY-UHFFFAOYSA-N 2 1 344.459 3.718 20 0 EHADMP CCCCCC[C@H](CC)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001170591355 1135904234 /nfs/dbraw/zinc/90/42/34/1135904234.db2.gz VKLGSYMKYOJOAZ-BBWFWOEESA-N 2 1 341.540 3.662 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001199639909 1135916764 /nfs/dbraw/zinc/91/67/64/1135916764.db2.gz NIIGYEJYEJLSJA-WAGURGNTSA-N 2 1 343.559 3.922 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810177861 1135934496 /nfs/dbraw/zinc/93/44/96/1135934496.db2.gz KCGJHVFVAGODRW-IBGZPJMESA-N 2 1 341.474 3.921 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000810177861 1135934498 /nfs/dbraw/zinc/93/44/98/1135934498.db2.gz KCGJHVFVAGODRW-IBGZPJMESA-N 2 1 341.474 3.921 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)c2C1 ZINC000810340741 1135957916 /nfs/dbraw/zinc/95/79/16/1135957916.db2.gz RDKQYBBAKMUHEX-IRXDYDNUSA-N 2 1 343.515 3.717 20 0 EHADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2C1 ZINC000810340741 1135957920 /nfs/dbraw/zinc/95/79/20/1135957920.db2.gz RDKQYBBAKMUHEX-IRXDYDNUSA-N 2 1 343.515 3.717 20 0 EHADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2C1 ZINC000810340741 1135957921 /nfs/dbraw/zinc/95/79/21/1135957921.db2.gz RDKQYBBAKMUHEX-IRXDYDNUSA-N 2 1 343.515 3.717 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(C)c1Br ZINC001205914248 1136000473 /nfs/dbraw/zinc/00/04/73/1136000473.db2.gz LVDNBASLJYAQJF-ZFWWWQNUSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(C)c1Br ZINC001205914248 1136000476 /nfs/dbraw/zinc/00/04/76/1136000476.db2.gz LVDNBASLJYAQJF-ZFWWWQNUSA-N 2 1 325.294 3.625 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201435265 1136024675 /nfs/dbraw/zinc/02/46/75/1136024675.db2.gz QILZSBJXEZETCE-LJQANCHMSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000850175391 1136217326 /nfs/dbraw/zinc/21/73/26/1136217326.db2.gz XFAZCZDZMDARRC-QZTJIDSGSA-N 2 1 343.446 3.975 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000812844937 1136259561 /nfs/dbraw/zinc/25/95/61/1136259561.db2.gz NCFMCMOJPCFWIH-PXNSSMCTSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000812844937 1136259564 /nfs/dbraw/zinc/25/95/64/1136259564.db2.gz NCFMCMOJPCFWIH-PXNSSMCTSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850509772 1136274188 /nfs/dbraw/zinc/27/41/88/1136274188.db2.gz SIXGGSUNBKUNJS-OXJNMPFZSA-N 2 1 342.458 3.552 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3COC4(CCC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000850523680 1136277355 /nfs/dbraw/zinc/27/73/55/1136277355.db2.gz NFBNLYXCFXNEPT-WOZUAGRISA-N 2 1 340.511 3.731 20 0 EHADMP COC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000813881249 1136372669 /nfs/dbraw/zinc/37/26/69/1136372669.db2.gz MVMQLNIQDAAFHE-OTYNDTSQSA-N 2 1 328.500 3.587 20 0 EHADMP COc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000543702773 1136655316 /nfs/dbraw/zinc/65/53/16/1136655316.db2.gz PGFVTZYLJKPSMJ-KKSFZXQISA-N 2 1 342.458 3.855 20 0 EHADMP COC1(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC1 ZINC000429517605 1136663103 /nfs/dbraw/zinc/66/31/03/1136663103.db2.gz SAGNYXOIMCSKKD-CQSZACIVSA-N 2 1 331.435 3.757 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170822642 1136711582 /nfs/dbraw/zinc/71/15/82/1136711582.db2.gz QZULOSKLOGXELH-FIRPJDEBSA-N 2 1 328.500 3.666 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170822642 1136711584 /nfs/dbraw/zinc/71/15/84/1136711584.db2.gz QZULOSKLOGXELH-FIRPJDEBSA-N 2 1 328.500 3.666 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170822642 1136711590 /nfs/dbraw/zinc/71/15/90/1136711590.db2.gz QZULOSKLOGXELH-FIRPJDEBSA-N 2 1 328.500 3.666 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3CCCCC3)C2)ccn1 ZINC000856551538 1136794024 /nfs/dbraw/zinc/79/40/24/1136794024.db2.gz UHFNIZLFGUWONL-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3CCCCC3)C2)ccn1 ZINC000856551538 1136794027 /nfs/dbraw/zinc/79/40/27/1136794027.db2.gz UHFNIZLFGUWONL-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC3CCCCC3)C2)ccn1 ZINC000856551538 1136794029 /nfs/dbraw/zinc/79/40/29/1136794029.db2.gz UHFNIZLFGUWONL-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP CCC(CC)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559097 1136795175 /nfs/dbraw/zinc/79/51/75/1136795175.db2.gz MKILLQMTWJDBRA-FQEVSTJZSA-N 2 1 333.520 3.811 20 0 EHADMP CCC(CC)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559097 1136795176 /nfs/dbraw/zinc/79/51/76/1136795176.db2.gz MKILLQMTWJDBRA-FQEVSTJZSA-N 2 1 333.520 3.811 20 0 EHADMP CCC(CC)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559097 1136795178 /nfs/dbraw/zinc/79/51/78/1136795178.db2.gz MKILLQMTWJDBRA-FQEVSTJZSA-N 2 1 333.520 3.811 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H]3C=CCCCCC3)C2)ccn1 ZINC000856584050 1136797116 /nfs/dbraw/zinc/79/71/16/1136797116.db2.gz CPIOEYXPYXDYAS-TZIWHRDSSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)ccn1 ZINC000856584050 1136797120 /nfs/dbraw/zinc/79/71/20/1136797120.db2.gz CPIOEYXPYXDYAS-TZIWHRDSSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)ccn1 ZINC000856584050 1136797126 /nfs/dbraw/zinc/79/71/26/1136797126.db2.gz CPIOEYXPYXDYAS-TZIWHRDSSA-N 2 1 343.515 3.875 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC3CCCC3)C2)ccn1 ZINC000856588755 1136797143 /nfs/dbraw/zinc/79/71/43/1136797143.db2.gz BQZSUJAQKKHJLN-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC3CCCC3)C2)ccn1 ZINC000856588755 1136797148 /nfs/dbraw/zinc/79/71/48/1136797148.db2.gz BQZSUJAQKKHJLN-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC3CCC3)C2)ccn1 ZINC000856584140 1136797586 /nfs/dbraw/zinc/79/75/86/1136797586.db2.gz YPEIEKWOHMLABE-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC3CCC3)C2)ccn1 ZINC000856584140 1136797589 /nfs/dbraw/zinc/79/75/89/1136797589.db2.gz YPEIEKWOHMLABE-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC3CCC3)C2)ccn1 ZINC000856584140 1136797591 /nfs/dbraw/zinc/79/75/91/1136797591.db2.gz YPEIEKWOHMLABE-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP CC(C)C[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604538 1136798258 /nfs/dbraw/zinc/79/82/58/1136798258.db2.gz OWNCTVCXUYEDCL-PXNSSMCTSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604538 1136798262 /nfs/dbraw/zinc/79/82/62/1136798262.db2.gz OWNCTVCXUYEDCL-PXNSSMCTSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604538 1136798266 /nfs/dbraw/zinc/79/82/66/1136798266.db2.gz OWNCTVCXUYEDCL-PXNSSMCTSA-N 2 1 333.520 3.810 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000818961435 1136891443 /nfs/dbraw/zinc/89/14/43/1136891443.db2.gz QGHFYJINXNIALH-GQIGUUNPSA-N 2 1 336.495 3.515 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000818959354 1136895675 /nfs/dbraw/zinc/89/56/75/1136895675.db2.gz ILLRKCJUGBIZKB-GCJKJVERSA-N 2 1 338.495 3.884 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818959582 1136895830 /nfs/dbraw/zinc/89/58/30/1136895830.db2.gz OFBJFWHJSYFJGA-KBXCAEBGSA-N 2 1 342.886 3.614 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857847302 1136912138 /nfs/dbraw/zinc/91/21/38/1136912138.db2.gz MTIPAWTUFRIDBA-OXJNMPFZSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857847302 1136912141 /nfs/dbraw/zinc/91/21/41/1136912141.db2.gz MTIPAWTUFRIDBA-OXJNMPFZSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847302 1136912144 /nfs/dbraw/zinc/91/21/44/1136912144.db2.gz MTIPAWTUFRIDBA-OXJNMPFZSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847302 1136912147 /nfs/dbraw/zinc/91/21/47/1136912147.db2.gz MTIPAWTUFRIDBA-OXJNMPFZSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2)C1 ZINC000857846538 1136912160 /nfs/dbraw/zinc/91/21/60/1136912160.db2.gz COLQKLUADJIQKX-OXJNMPFZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846538 1136912168 /nfs/dbraw/zinc/91/21/68/1136912168.db2.gz COLQKLUADJIQKX-OXJNMPFZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846538 1136912170 /nfs/dbraw/zinc/91/21/70/1136912170.db2.gz COLQKLUADJIQKX-OXJNMPFZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C1 ZINC000858099154 1136939542 /nfs/dbraw/zinc/93/95/42/1136939542.db2.gz KADOPOPFEVFTIN-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1(C)C ZINC000858167475 1136946274 /nfs/dbraw/zinc/94/62/74/1136946274.db2.gz RPBPTEJQQNEHGM-HBMCJLEFSA-N 2 1 338.495 3.924 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1(C)C ZINC000858167475 1136946276 /nfs/dbraw/zinc/94/62/76/1136946276.db2.gz RPBPTEJQQNEHGM-HBMCJLEFSA-N 2 1 338.495 3.924 20 0 EHADMP CC(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939418 1136964429 /nfs/dbraw/zinc/96/44/29/1136964429.db2.gz VAFBMGRANNSAKQ-OAQYLSRUSA-N 2 1 328.500 3.732 20 0 EHADMP CC[C@@H](C)[C@](C)(O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820810126 1137005030 /nfs/dbraw/zinc/00/50/30/1137005030.db2.gz PKGVMCGAMJLULC-LVUFRCMMSA-N 2 1 344.543 3.959 20 0 EHADMP C[C@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820811025 1137005499 /nfs/dbraw/zinc/00/54/99/1137005499.db2.gz JKYDKHZXJDJOME-IMKFEJLOSA-N 2 1 330.516 3.569 20 0 EHADMP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000822985011 1137082336 /nfs/dbraw/zinc/08/23/36/1137082336.db2.gz DAGGBYCGGICVFM-AWEZNQCLSA-N 2 1 342.314 3.983 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3cccc(F)c3C2)[nH+]1 ZINC001171009249 1137089737 /nfs/dbraw/zinc/08/97/37/1137089737.db2.gz JTHRLAQADFLYAH-GOSISDBHSA-N 2 1 339.458 3.645 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000862280049 1137137128 /nfs/dbraw/zinc/13/71/28/1137137128.db2.gz FLLHSCPCNVRCBO-DOTOQJQBSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000862280049 1137137129 /nfs/dbraw/zinc/13/71/29/1137137129.db2.gz FLLHSCPCNVRCBO-DOTOQJQBSA-N 2 1 333.476 3.763 20 0 EHADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@@H](O)C[NH2+]C)c2)cc1 ZINC000863691838 1137199741 /nfs/dbraw/zinc/19/97/41/1137199741.db2.gz MLRDNTVTSDFEOX-YADHBBJMSA-N 2 1 338.495 3.981 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1)c1ccccc1 ZINC000339065495 1137208911 /nfs/dbraw/zinc/20/89/11/1137208911.db2.gz FRGFXZGLZHLWME-FPOVZHCZSA-N 2 1 349.478 3.655 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1)c1ccccc1 ZINC000339065495 1137208913 /nfs/dbraw/zinc/20/89/13/1137208913.db2.gz FRGFXZGLZHLWME-FPOVZHCZSA-N 2 1 349.478 3.655 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171289 1137281896 /nfs/dbraw/zinc/28/18/96/1137281896.db2.gz FJAVPKXTLJYVEN-CRAIPNDOSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171289 1137281897 /nfs/dbraw/zinc/28/18/97/1137281897.db2.gz FJAVPKXTLJYVEN-CRAIPNDOSA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171289 1137281898 /nfs/dbraw/zinc/28/18/98/1137281898.db2.gz FJAVPKXTLJYVEN-CRAIPNDOSA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171289 1137281899 /nfs/dbraw/zinc/28/18/99/1137281899.db2.gz FJAVPKXTLJYVEN-CRAIPNDOSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171292 1137282112 /nfs/dbraw/zinc/28/21/12/1137282112.db2.gz FJAVPKXTLJYVEN-YJBOKZPZSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171292 1137282113 /nfs/dbraw/zinc/28/21/13/1137282113.db2.gz FJAVPKXTLJYVEN-YJBOKZPZSA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171292 1137282115 /nfs/dbraw/zinc/28/21/15/1137282115.db2.gz FJAVPKXTLJYVEN-YJBOKZPZSA-N 2 1 339.310 3.878 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001171171292 1137282117 /nfs/dbraw/zinc/28/21/17/1137282117.db2.gz FJAVPKXTLJYVEN-YJBOKZPZSA-N 2 1 339.310 3.878 20 0 EHADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000866452749 1137355906 /nfs/dbraw/zinc/35/59/06/1137355906.db2.gz NNMJDJFJTVODPK-QGZVFWFLSA-N 2 1 325.500 3.716 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866529971 1137361670 /nfs/dbraw/zinc/36/16/70/1137361670.db2.gz UVZXLZIGSMYCCV-TYPHKJRUSA-N 2 1 342.527 3.693 20 0 EHADMP CSc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000348133044 1137444528 /nfs/dbraw/zinc/44/45/28/1137444528.db2.gz JPITYLFRFJZLSD-APWZRJJASA-N 2 1 341.524 3.804 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171427146 1137480233 /nfs/dbraw/zinc/48/02/33/1137480233.db2.gz WMLFNKIMWGATKN-KRWDZBQOSA-N 2 1 339.458 3.625 20 0 EHADMP CSC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716626540 1137487885 /nfs/dbraw/zinc/48/78/85/1137487885.db2.gz OKPGJKZWVQTNIK-FHWLQOOXSA-N 2 1 330.541 3.915 20 0 EHADMP COC1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716680063 1137488381 /nfs/dbraw/zinc/48/83/81/1137488381.db2.gz QGULKTJASIGMBY-ZCNNSNEGSA-N 2 1 328.500 3.588 20 0 EHADMP CC(=O)CC(C)(C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001171500220 1137494520 /nfs/dbraw/zinc/49/45/20/1137494520.db2.gz ZVCRDIAZFYUCNZ-INIZCTEOSA-N 2 1 328.460 3.521 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1(C)C ZINC001171622987 1137501060 /nfs/dbraw/zinc/50/10/60/1137501060.db2.gz GAUCLQMQUBJWDS-UHFFFAOYSA-N 2 1 340.515 3.672 20 0 EHADMP C[NH+]1C(C)(C)CC(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171619777 1137501143 /nfs/dbraw/zinc/50/11/43/1137501143.db2.gz PTRAYRMJGNBRHB-IBGZPJMESA-N 2 1 343.559 3.892 20 0 EHADMP C[NH+]1C(C)(C)CC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171619777 1137501145 /nfs/dbraw/zinc/50/11/45/1137501145.db2.gz PTRAYRMJGNBRHB-IBGZPJMESA-N 2 1 343.559 3.892 20 0 EHADMP Cc1cccnc1N1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171637382 1137504335 /nfs/dbraw/zinc/50/43/35/1137504335.db2.gz LTEGAUAWPFXASN-UHFFFAOYSA-N 2 1 344.547 3.554 20 0 EHADMP C[C@H]1C[C@@H](N(CCC[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171724836 1137505956 /nfs/dbraw/zinc/50/59/56/1137505956.db2.gz CEWCRCGGOIOMQA-GHTZIAJQSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724836 1137505958 /nfs/dbraw/zinc/50/59/58/1137505958.db2.gz CEWCRCGGOIOMQA-GHTZIAJQSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724836 1137505960 /nfs/dbraw/zinc/50/59/60/1137505960.db2.gz CEWCRCGGOIOMQA-GHTZIAJQSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171747077 1137507947 /nfs/dbraw/zinc/50/79/47/1137507947.db2.gz WMNORISLCXSXMX-DENIHFKCSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H]1C[C@@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754585 1137508386 /nfs/dbraw/zinc/50/83/86/1137508386.db2.gz GMGKXNDYVZPZQF-CEMLEFRQSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@H]1C[C@H](N2CCC([NH3+])(c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738441 1137510949 /nfs/dbraw/zinc/51/09/49/1137510949.db2.gz IZTVBHUWFVTNJO-UGKGYDQZSA-N 2 1 349.522 3.599 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001171963926 1137519870 /nfs/dbraw/zinc/51/98/70/1137519870.db2.gz HREROJVPBRHMGG-KBRIMQKVSA-N 2 1 326.406 3.520 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC001171962959 1137520077 /nfs/dbraw/zinc/52/00/77/1137520077.db2.gz DJAJLWHUKGTKCD-HXUWFJFHSA-N 2 1 338.495 3.968 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974984 1137524703 /nfs/dbraw/zinc/52/47/03/1137524703.db2.gz BMMVIVKXXGJWNI-MISYRCLQSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977486 1137526109 /nfs/dbraw/zinc/52/61/09/1137526109.db2.gz BJZAQZPUUGFOHS-NHCUHLMSSA-N 2 1 344.543 3.960 20 0 EHADMP CC[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172060871 1137528573 /nfs/dbraw/zinc/52/85/73/1137528573.db2.gz CXGZIZVOEPEDMP-DKUWSORSSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060592 1137528605 /nfs/dbraw/zinc/52/86/05/1137528605.db2.gz BDQIMHRIGVAFSI-KOUNCHBCSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172060592 1137528606 /nfs/dbraw/zinc/52/86/06/1137528606.db2.gz BDQIMHRIGVAFSI-KOUNCHBCSA-N 2 1 343.559 3.894 20 0 EHADMP C[N@H+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071904 1137530155 /nfs/dbraw/zinc/53/01/55/1137530155.db2.gz AIYFONNCSHGYFQ-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071904 1137530158 /nfs/dbraw/zinc/53/01/58/1137530158.db2.gz AIYFONNCSHGYFQ-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071904 1137530159 /nfs/dbraw/zinc/53/01/59/1137530159.db2.gz AIYFONNCSHGYFQ-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071904 1137530161 /nfs/dbraw/zinc/53/01/61/1137530161.db2.gz AIYFONNCSHGYFQ-WKCHPHFGSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076005 1137530502 /nfs/dbraw/zinc/53/05/02/1137530502.db2.gz GPPDXCRPGLUVOK-LELZANKISA-N 2 1 328.500 3.587 20 0 EHADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCOC[C@H]2C2CC2)C3)cc1 ZINC001172081609 1137531469 /nfs/dbraw/zinc/53/14/69/1137531469.db2.gz HLUAYVFZZAOVMF-LRSLUSHPSA-N 2 1 340.511 3.683 20 0 EHADMP OCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062565 1137532962 /nfs/dbraw/zinc/53/29/62/1137532962.db2.gz PORXZZRQDXDOHL-MZADTFQBSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@@]1(O)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069560 1137534433 /nfs/dbraw/zinc/53/44/33/1137534433.db2.gz RBRRCVOJHNBYLB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069560 1137534435 /nfs/dbraw/zinc/53/44/35/1137534435.db2.gz RBRRCVOJHNBYLB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069560 1137534436 /nfs/dbraw/zinc/53/44/36/1137534436.db2.gz RBRRCVOJHNBYLB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069560 1137534438 /nfs/dbraw/zinc/53/44/38/1137534438.db2.gz RBRRCVOJHNBYLB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172125168 1137535137 /nfs/dbraw/zinc/53/51/37/1137535137.db2.gz OWCQWIBOAFBBEL-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172125168 1137535139 /nfs/dbraw/zinc/53/51/39/1137535139.db2.gz OWCQWIBOAFBBEL-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172125168 1137535140 /nfs/dbraw/zinc/53/51/40/1137535140.db2.gz OWCQWIBOAFBBEL-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129901 1137535767 /nfs/dbraw/zinc/53/57/67/1137535767.db2.gz FBUCBMOETLXTJL-FTSHXLFYSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129901 1137535769 /nfs/dbraw/zinc/53/57/69/1137535769.db2.gz FBUCBMOETLXTJL-FTSHXLFYSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129901 1137535771 /nfs/dbraw/zinc/53/57/71/1137535771.db2.gz FBUCBMOETLXTJL-FTSHXLFYSA-N 2 1 341.543 3.597 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001172103157 1137536412 /nfs/dbraw/zinc/53/64/12/1137536412.db2.gz SWSYDTDZLLVUCD-QDMKHBRRSA-N 2 1 328.378 3.690 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCc3ccc4c(c31)CCO4)C2 ZINC001172104332 1137536635 /nfs/dbraw/zinc/53/66/35/1137536635.db2.gz BOLUBKNVUPGYKP-OKYOBFRVSA-N 2 1 340.511 3.646 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001172107409 1137536861 /nfs/dbraw/zinc/53/68/61/1137536861.db2.gz XCMFGZBWPZBIOY-PHZGNYQRSA-N 2 1 342.405 3.733 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109725 1137537055 /nfs/dbraw/zinc/53/70/55/1137537055.db2.gz KJGPGQIDBXSSKU-OQMKEHIESA-N 2 1 343.298 3.632 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111476 1137537929 /nfs/dbraw/zinc/53/79/29/1137537929.db2.gz RPSXDRTVMCGVFZ-WCXIOVBPSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111476 1137537930 /nfs/dbraw/zinc/53/79/30/1137537930.db2.gz RPSXDRTVMCGVFZ-WCXIOVBPSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172225930 1137542221 /nfs/dbraw/zinc/54/22/21/1137542221.db2.gz YAXRCXRQHQNLNQ-AQDPXUSMSA-N 2 1 344.499 3.666 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2cccc(OC)c2)CC1 ZINC001172254341 1137544591 /nfs/dbraw/zinc/54/45/91/1137544591.db2.gz DQNBUVYFIYAAFR-NRFANRHFSA-N 2 1 346.515 3.723 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@H]2c2cccc(OC)c2)CC1 ZINC001172254341 1137544593 /nfs/dbraw/zinc/54/45/93/1137544593.db2.gz DQNBUVYFIYAAFR-NRFANRHFSA-N 2 1 346.515 3.723 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@H]2CCC[C@@H]21 ZINC000872115659 1137572172 /nfs/dbraw/zinc/57/21/72/1137572172.db2.gz GAOOKRSHGAJECO-RDBSUJKOSA-N 2 1 347.812 3.716 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@H]2CCC[C@@H]21 ZINC000872115659 1137572173 /nfs/dbraw/zinc/57/21/73/1137572173.db2.gz GAOOKRSHGAJECO-RDBSUJKOSA-N 2 1 347.812 3.716 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000872137682 1137573773 /nfs/dbraw/zinc/57/37/73/1137573773.db2.gz QQICOBCLCDPLQR-FGZHOGPDSA-N 2 1 338.495 3.753 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000873226737 1137594262 /nfs/dbraw/zinc/59/42/62/1137594262.db2.gz AHDVPUNGTYEQHS-RHSMWYFYSA-N 2 1 342.405 3.577 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000873226737 1137594263 /nfs/dbraw/zinc/59/42/63/1137594263.db2.gz AHDVPUNGTYEQHS-RHSMWYFYSA-N 2 1 342.405 3.577 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000876766047 1137660755 /nfs/dbraw/zinc/66/07/55/1137660755.db2.gz ZZGBJVDJYXFIPV-AAEUAGOBSA-N 2 1 334.357 3.639 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000877049111 1137668744 /nfs/dbraw/zinc/66/87/44/1137668744.db2.gz QLGIEGRQVQVYMX-YZGWKJHDSA-N 2 1 342.508 3.739 20 0 EHADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000877049111 1137668745 /nfs/dbraw/zinc/66/87/45/1137668745.db2.gz QLGIEGRQVQVYMX-YZGWKJHDSA-N 2 1 342.508 3.739 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000877058638 1137668969 /nfs/dbraw/zinc/66/89/69/1137668969.db2.gz DJCQHEGFUHZEAS-MISYRCLQSA-N 2 1 340.467 3.579 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000877058638 1137668970 /nfs/dbraw/zinc/66/89/70/1137668970.db2.gz DJCQHEGFUHZEAS-MISYRCLQSA-N 2 1 340.467 3.579 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076826 1137669568 /nfs/dbraw/zinc/66/95/68/1137669568.db2.gz VUNADVSOBDTATK-KBMXLJTQSA-N 2 1 327.299 3.823 20 0 EHADMP Clc1nccc2oc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc21 ZINC000877084573 1137669792 /nfs/dbraw/zinc/66/97/92/1137669792.db2.gz RAOZJVXTNNWMCY-UHFFFAOYSA-N 2 1 333.863 3.978 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546642 1137680803 /nfs/dbraw/zinc/68/08/03/1137680803.db2.gz VHKOIZDFDJGQGR-FQEVSTJZSA-N 2 1 345.487 3.561 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546642 1137680804 /nfs/dbraw/zinc/68/08/04/1137680804.db2.gz VHKOIZDFDJGQGR-FQEVSTJZSA-N 2 1 345.487 3.561 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546642 1137680805 /nfs/dbraw/zinc/68/08/05/1137680805.db2.gz VHKOIZDFDJGQGR-FQEVSTJZSA-N 2 1 345.487 3.561 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546642 1137680806 /nfs/dbraw/zinc/68/08/06/1137680806.db2.gz VHKOIZDFDJGQGR-FQEVSTJZSA-N 2 1 345.487 3.561 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877739617 1137687779 /nfs/dbraw/zinc/68/77/79/1137687779.db2.gz PBOQNTAPJZCXLS-MSOLQXFVSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877739617 1137687780 /nfs/dbraw/zinc/68/77/80/1137687780.db2.gz PBOQNTAPJZCXLS-MSOLQXFVSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877739617 1137687781 /nfs/dbraw/zinc/68/77/81/1137687781.db2.gz PBOQNTAPJZCXLS-MSOLQXFVSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877739617 1137687782 /nfs/dbraw/zinc/68/77/82/1137687782.db2.gz PBOQNTAPJZCXLS-MSOLQXFVSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1nccn1CCC[N@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878287382 1137709848 /nfs/dbraw/zinc/70/98/48/1137709848.db2.gz AMSGBLNKTSNMBM-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878287382 1137709849 /nfs/dbraw/zinc/70/98/49/1137709849.db2.gz AMSGBLNKTSNMBM-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878287382 1137709850 /nfs/dbraw/zinc/70/98/50/1137709850.db2.gz AMSGBLNKTSNMBM-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878522776 1137718774 /nfs/dbraw/zinc/71/87/74/1137718774.db2.gz RSYQMMLRUOBMKA-MRXNPFEDSA-N 2 1 332.488 3.827 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCOCC2)cc1 ZINC000883220122 1137849257 /nfs/dbraw/zinc/84/92/57/1137849257.db2.gz DYZOBDSGEALUKA-XVAXZDLZSA-N 2 1 346.490 3.900 20 0 EHADMP c1ccc([C@H]2CCC[C@@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417578 1137860250 /nfs/dbraw/zinc/86/02/50/1137860250.db2.gz FZKSZHFXBKJPPM-LEWJYISDSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429146 1137860406 /nfs/dbraw/zinc/86/04/06/1137860406.db2.gz MUONVGGOISAMPY-MHTWAQMVSA-N 2 1 328.500 3.618 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000883430626 1137860488 /nfs/dbraw/zinc/86/04/88/1137860488.db2.gz YXLZSFSVWDFKBG-NCYKPQTJSA-N 2 1 328.500 3.761 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229107 1137875568 /nfs/dbraw/zinc/87/55/68/1137875568.db2.gz YRXXZAHJQXZLNL-FQEVSTJZSA-N 2 1 343.515 3.733 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229107 1137875569 /nfs/dbraw/zinc/87/55/69/1137875569.db2.gz YRXXZAHJQXZLNL-FQEVSTJZSA-N 2 1 343.515 3.733 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)OCCC[NH+]2CCCC2)cc1)C(C)C ZINC000800158266 1137900303 /nfs/dbraw/zinc/90/03/03/1137900303.db2.gz NXENRTOQZFDGEY-UHFFFAOYSA-N 2 1 332.488 3.560 20 0 EHADMP C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1ncc(CN(C)C)s1 ZINC000348291138 1137903930 /nfs/dbraw/zinc/90/39/30/1137903930.db2.gz STMUCBTWZDLVEU-WBVHZDCISA-N 2 1 329.513 3.973 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000112517317 1137908122 /nfs/dbraw/zinc/90/81/22/1137908122.db2.gz JVIQENRXCIXZBF-OAHLLOKOSA-N 2 1 346.421 3.648 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3)CC2)oc1C ZINC000112547293 1137908612 /nfs/dbraw/zinc/90/86/12/1137908612.db2.gz JXSLLFZGAXWNTF-HNNXBMFYSA-N 2 1 345.462 3.993 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]21 ZINC001202660849 1137910469 /nfs/dbraw/zinc/91/04/69/1137910469.db2.gz OKIZTXCSXZFLAG-FKBYEOEOSA-N 2 1 342.527 3.914 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001202660849 1137910470 /nfs/dbraw/zinc/91/04/70/1137910470.db2.gz OKIZTXCSXZFLAG-FKBYEOEOSA-N 2 1 342.527 3.914 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001202660849 1137910471 /nfs/dbraw/zinc/91/04/71/1137910471.db2.gz OKIZTXCSXZFLAG-FKBYEOEOSA-N 2 1 342.527 3.914 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000331644613 1137915821 /nfs/dbraw/zinc/91/58/21/1137915821.db2.gz VLEDWPVEQBWFKP-GDBMZVCRSA-N 2 1 333.476 3.520 20 0 EHADMP CC1(C)Cc2occc2[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000331644613 1137915822 /nfs/dbraw/zinc/91/58/22/1137915822.db2.gz VLEDWPVEQBWFKP-GDBMZVCRSA-N 2 1 333.476 3.520 20 0 EHADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397200 1137925678 /nfs/dbraw/zinc/92/56/78/1137925678.db2.gz DWNONADCVBEGGV-IRXDYDNUSA-N 2 1 333.520 3.586 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000120654312 1137951644 /nfs/dbraw/zinc/95/16/44/1137951644.db2.gz OXYPDRKJVPWOAY-UHFFFAOYSA-N 2 1 329.513 3.796 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000120654312 1137951645 /nfs/dbraw/zinc/95/16/45/1137951645.db2.gz OXYPDRKJVPWOAY-UHFFFAOYSA-N 2 1 329.513 3.796 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886506125 1138085497 /nfs/dbraw/zinc/08/54/97/1138085497.db2.gz CXFIXAVSOPXZGF-NRFANRHFSA-N 2 1 340.515 3.680 20 0 EHADMP C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC[C@H]1O ZINC000886537280 1138092385 /nfs/dbraw/zinc/09/23/85/1138092385.db2.gz XPSRDGPMCLARKZ-RTOMLYRKSA-N 2 1 342.527 3.570 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886554861 1138095498 /nfs/dbraw/zinc/09/54/98/1138095498.db2.gz FCJINHYVWIVDCI-ACRUOGEOSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CCOc3ccccc3Cl)CC2)[nH+]c1C ZINC000886670879 1138112024 /nfs/dbraw/zinc/11/20/24/1138112024.db2.gz XRFCKFQGXUWJLZ-UHFFFAOYSA-N 2 1 333.863 3.938 20 0 EHADMP CC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818841 1138241928 /nfs/dbraw/zinc/24/19/28/1138241928.db2.gz KIBYVZVXMAYVPT-GOSISDBHSA-N 2 1 329.513 3.796 20 0 EHADMP CC[N@H+](Cc1scnc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818841 1138241929 /nfs/dbraw/zinc/24/19/29/1138241929.db2.gz KIBYVZVXMAYVPT-GOSISDBHSA-N 2 1 329.513 3.796 20 0 EHADMP CC[NH+](Cc1scnc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818841 1138241931 /nfs/dbraw/zinc/24/19/31/1138241931.db2.gz KIBYVZVXMAYVPT-GOSISDBHSA-N 2 1 329.513 3.796 20 0 EHADMP CC[NH+](Cc1scnc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818841 1138241932 /nfs/dbraw/zinc/24/19/32/1138241932.db2.gz KIBYVZVXMAYVPT-GOSISDBHSA-N 2 1 329.513 3.796 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000125933429 1138319717 /nfs/dbraw/zinc/31/97/17/1138319717.db2.gz DXAZWLZBBKCKBA-AZUAARDMSA-N 2 1 340.515 3.702 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000125933429 1138319721 /nfs/dbraw/zinc/31/97/21/1138319721.db2.gz DXAZWLZBBKCKBA-AZUAARDMSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000126647682 1138334813 /nfs/dbraw/zinc/33/48/13/1138334813.db2.gz QNTITSKLVFEULU-KRWDZBQOSA-N 2 1 343.540 3.655 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccc3)CC2)oc1C ZINC000129499028 1138413150 /nfs/dbraw/zinc/41/31/50/1138413150.db2.gz OBKKHJAJBSAAIA-INIZCTEOSA-N 2 1 327.472 3.854 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615214 1138465233 /nfs/dbraw/zinc/46/52/33/1138465233.db2.gz RFKVQGLAMPIKPV-CLCXKQKWSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615214 1138465235 /nfs/dbraw/zinc/46/52/35/1138465235.db2.gz RFKVQGLAMPIKPV-CLCXKQKWSA-N 2 1 343.446 3.831 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000134159367 1138675596 /nfs/dbraw/zinc/67/55/96/1138675596.db2.gz VEMREPDBYZBFKN-UHFFFAOYSA-N 2 1 331.504 3.589 20 0 EHADMP Cc1cc(C[NH2+]CCCn2cc[nH+]c2C)sc1Br ZINC000337948440 1138704740 /nfs/dbraw/zinc/70/47/40/1138704740.db2.gz HTONXHFYTDQNGG-UHFFFAOYSA-N 2 1 328.279 3.504 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H]3CCCF)CCCC2)CC1 ZINC000337984679 1138716379 /nfs/dbraw/zinc/71/63/79/1138716379.db2.gz CALHYJTXEZAMBC-HKUYNNGSSA-N 2 1 340.527 3.918 20 0 EHADMP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000338000616 1138720425 /nfs/dbraw/zinc/72/04/25/1138720425.db2.gz YTSAJIUDTABUMX-WOJBJXKFSA-N 2 1 334.479 3.527 20 0 EHADMP Clc1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000265501413 1138931399 /nfs/dbraw/zinc/93/13/99/1138931399.db2.gz MYJHPOHWJPTBKI-CQSZACIVSA-N 2 1 345.874 3.801 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000151108224 1139009070 /nfs/dbraw/zinc/00/90/70/1139009070.db2.gz BBIFAXPKSWZFSG-QGZVFWFLSA-N 2 1 349.950 3.626 20 0 EHADMP COc1ccc([C@H](CCC(C)C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151356290 1139026318 /nfs/dbraw/zinc/02/63/18/1139026318.db2.gz LZUBRGYTDDQYPI-NRFANRHFSA-N 2 1 348.531 3.609 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000153086660 1139121806 /nfs/dbraw/zinc/12/18/06/1139121806.db2.gz CLGAURDOBMIKQI-UGKANONSSA-N 2 1 330.516 3.781 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178701666 1139713009 /nfs/dbraw/zinc/71/30/09/1139713009.db2.gz QSDGGWSMJZVXOQ-HOTGVXAUSA-N 2 1 337.471 3.673 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180015469 1139801926 /nfs/dbraw/zinc/80/19/26/1139801926.db2.gz DAUDMMCSQLARJM-FQEVSTJZSA-N 2 1 349.950 3.798 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCC[C@@H]4OCC[C@@H]42)C3)cc1 ZINC000180157410 1139813083 /nfs/dbraw/zinc/81/30/83/1139813083.db2.gz YPKWCZGITMIAAF-GYCKACHOSA-N 2 1 340.511 3.729 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180627087 1139850795 /nfs/dbraw/zinc/85/07/95/1139850795.db2.gz GGEFNPVQNSDJHR-QGZVFWFLSA-N 2 1 336.483 3.909 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182224962 1139959027 /nfs/dbraw/zinc/95/90/27/1139959027.db2.gz SHWBLCZHTZYMCX-FRQCXROJSA-N 2 1 343.515 3.949 20 0 EHADMP C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100511 1140013894 /nfs/dbraw/zinc/01/38/94/1140013894.db2.gz VCSLNYKLPRWMNI-QFBILLFUSA-N 2 1 326.484 3.705 20 0 EHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000183185535 1140018428 /nfs/dbraw/zinc/01/84/28/1140018428.db2.gz QAPPRPANFXOMNH-JFIYKMOQSA-N 2 1 344.499 3.761 20 0 EHADMP Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715639 1140165550 /nfs/dbraw/zinc/16/55/50/1140165550.db2.gz QEGMBZVHYNFPFI-ZWKOTPCHSA-N 2 1 343.515 3.566 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186381426 1140200869 /nfs/dbraw/zinc/20/08/69/1140200869.db2.gz APZHJHHKTCOLFJ-QGZVFWFLSA-N 2 1 332.488 3.542 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)CCO1 ZINC000190935106 1140426157 /nfs/dbraw/zinc/42/61/57/1140426157.db2.gz JDNRQCXSXKOVFF-OXJNMPFZSA-N 2 1 340.467 3.668 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000191297184 1140452785 /nfs/dbraw/zinc/45/27/85/1140452785.db2.gz UIRWWWFWACDLHV-OLZOCXBDSA-N 2 1 328.909 3.553 20 0 EHADMP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192492934 1140535610 /nfs/dbraw/zinc/53/56/10/1140535610.db2.gz XAHFMBWVNXQKFW-UWJYYQICSA-N 2 1 330.516 3.966 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193971719 1140591795 /nfs/dbraw/zinc/59/17/95/1140591795.db2.gz ZSFTYQPJRZHADO-VAMGGRTRSA-N 2 1 328.500 3.574 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000268816167 1140998335 /nfs/dbraw/zinc/99/83/35/1140998335.db2.gz NOJVDEPIPDNHMQ-MRXNPFEDSA-N 2 1 337.471 3.653 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000268841147 1141005255 /nfs/dbraw/zinc/00/52/55/1141005255.db2.gz IBZABYTWXAVAIG-ZDUSSCGKSA-N 2 1 341.377 3.874 20 0 EHADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000268933438 1141029155 /nfs/dbraw/zinc/02/91/55/1141029155.db2.gz NFTFBPJFMHRJKB-FDKRGKGCSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933438 1141029161 /nfs/dbraw/zinc/02/91/61/1141029161.db2.gz NFTFBPJFMHRJKB-FDKRGKGCSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000268933438 1141029166 /nfs/dbraw/zinc/02/91/66/1141029166.db2.gz NFTFBPJFMHRJKB-FDKRGKGCSA-N 2 1 341.543 3.644 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000269026786 1141049467 /nfs/dbraw/zinc/04/94/67/1141049467.db2.gz RZSPAXBUSDVOGI-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000269026786 1141049475 /nfs/dbraw/zinc/04/94/75/1141049475.db2.gz RZSPAXBUSDVOGI-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000269027524 1141049644 /nfs/dbraw/zinc/04/96/44/1141049644.db2.gz CYKMXOAEZMPHPD-CQSZACIVSA-N 2 1 330.501 3.783 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000271123892 1141310734 /nfs/dbraw/zinc/31/07/34/1141310734.db2.gz KAYPGYYDAKFAQQ-STQMWFEESA-N 2 1 325.378 3.992 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271345796 1141349567 /nfs/dbraw/zinc/34/95/67/1141349567.db2.gz CUUJIFOQLHFANE-SFTDATJTSA-N 2 1 348.506 3.626 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271523694 1141387700 /nfs/dbraw/zinc/38/77/00/1141387700.db2.gz VHXRIWVPKILSKF-VYDXJSESSA-N 2 1 344.421 3.597 20 0 EHADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271523694 1141387708 /nfs/dbraw/zinc/38/77/08/1141387708.db2.gz VHXRIWVPKILSKF-VYDXJSESSA-N 2 1 344.421 3.597 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000271562288 1141397253 /nfs/dbraw/zinc/39/72/53/1141397253.db2.gz XWXTUPAVWSNVCH-SJLPKXTDSA-N 2 1 329.513 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000271562288 1141397259 /nfs/dbraw/zinc/39/72/59/1141397259.db2.gz XWXTUPAVWSNVCH-SJLPKXTDSA-N 2 1 329.513 3.576 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000348710248 1141569545 /nfs/dbraw/zinc/56/95/45/1141569545.db2.gz ZEVVIVWGOSRISH-CGTJXYLNSA-N 2 1 327.472 3.630 20 0 EHADMP CC[N@H+](Cc1nc2ccccc2n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000348970861 1141617333 /nfs/dbraw/zinc/61/73/33/1141617333.db2.gz XISDZLKWARPTDN-UHFFFAOYSA-N 2 1 336.483 3.657 20 0 EHADMP CC[N@@H+](Cc1nc2ccccc2n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000348970861 1141617335 /nfs/dbraw/zinc/61/73/35/1141617335.db2.gz XISDZLKWARPTDN-UHFFFAOYSA-N 2 1 336.483 3.657 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019913151 212083755 /nfs/dbraw/zinc/08/37/55/212083755.db2.gz WWLVZRXJITWZPR-ZDUSSCGKSA-N 2 1 343.284 3.942 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019913151 212083759 /nfs/dbraw/zinc/08/37/59/212083759.db2.gz WWLVZRXJITWZPR-ZDUSSCGKSA-N 2 1 343.284 3.942 20 0 EHADMP C[N@H+](Cc1ccc(Br)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000234288203 523196924 /nfs/dbraw/zinc/19/69/24/523196924.db2.gz HWIRMIZVGHVUKA-FUNVUKJBSA-N 2 1 343.696 3.817 20 0 EHADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000234288203 523196929 /nfs/dbraw/zinc/19/69/29/523196929.db2.gz HWIRMIZVGHVUKA-FUNVUKJBSA-N 2 1 343.696 3.817 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1Sc1ccccc1 ZINC000459396871 1032064280 /nfs/dbraw/zinc/06/42/80/1032064280.db2.gz WVHBXTIHPDMKCH-XUVXKRRUSA-N 2 1 346.540 3.541 20 0 EHADMP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537971571 1032071388 /nfs/dbraw/zinc/07/13/88/1032071388.db2.gz WXSCVOMOQNWXBS-FGTMMUONSA-N 2 1 334.504 3.625 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000339278580 1014147522 /nfs/dbraw/zinc/14/75/22/1014147522.db2.gz IXKLBPRRCLCQPL-IRXDYDNUSA-N 2 1 338.499 3.553 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434901 1014434135 /nfs/dbraw/zinc/43/41/35/1014434135.db2.gz QDYIHFJILDHORK-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434901 1014434139 /nfs/dbraw/zinc/43/41/39/1014434139.db2.gz QDYIHFJILDHORK-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434901 1014434145 /nfs/dbraw/zinc/43/41/45/1014434145.db2.gz QDYIHFJILDHORK-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434901 1014434148 /nfs/dbraw/zinc/43/41/48/1014434148.db2.gz QDYIHFJILDHORK-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001279341346 1014529908 /nfs/dbraw/zinc/52/99/08/1014529908.db2.gz LILWRXVJBMLFLO-KRWDZBQOSA-N 2 1 342.405 3.811 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001279341346 1014529915 /nfs/dbraw/zinc/52/99/15/1014529915.db2.gz LILWRXVJBMLFLO-KRWDZBQOSA-N 2 1 342.405 3.811 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001279341346 1014529922 /nfs/dbraw/zinc/52/99/22/1014529922.db2.gz LILWRXVJBMLFLO-KRWDZBQOSA-N 2 1 342.405 3.811 20 0 EHADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001279341346 1014529927 /nfs/dbraw/zinc/52/99/27/1014529927.db2.gz LILWRXVJBMLFLO-KRWDZBQOSA-N 2 1 342.405 3.811 20 0 EHADMP C[C@H]1CSCC[NH+]1Cc1ccccc1C[N@@H+]1CCSC[C@@H]1C ZINC000343731393 1032095090 /nfs/dbraw/zinc/09/50/90/1032095090.db2.gz BJRJKZQGEUEUBE-HOTGVXAUSA-N 2 1 336.570 3.561 20 0 EHADMP CCc1noc(CC)c1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740690 1014742316 /nfs/dbraw/zinc/74/23/16/1014742316.db2.gz AENVFSQLVXOMDF-SJLPKXTDSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274740690 1014742327 /nfs/dbraw/zinc/74/23/27/1014742327.db2.gz AENVFSQLVXOMDF-SJLPKXTDSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740690 1014742333 /nfs/dbraw/zinc/74/23/33/1014742333.db2.gz AENVFSQLVXOMDF-SJLPKXTDSA-N 2 1 341.499 3.800 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449062518 1032108529 /nfs/dbraw/zinc/10/85/29/1032108529.db2.gz LYIKFAYSPZSNPF-UHFFFAOYSA-N 2 1 339.455 3.766 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606399 1015059352 /nfs/dbraw/zinc/05/93/52/1015059352.db2.gz FTEAZDBRHZLFCD-PKOBYXMFSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606399 1015059363 /nfs/dbraw/zinc/05/93/63/1015059363.db2.gz FTEAZDBRHZLFCD-PKOBYXMFSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606399 1015059372 /nfs/dbraw/zinc/05/93/72/1015059372.db2.gz FTEAZDBRHZLFCD-PKOBYXMFSA-N 2 1 336.907 3.663 20 0 EHADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000162142496 1032113568 /nfs/dbraw/zinc/11/35/68/1032113568.db2.gz FYMRASXBTAQXPG-UHFFFAOYSA-N 2 1 340.471 3.582 20 0 EHADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000162142496 1032113580 /nfs/dbraw/zinc/11/35/80/1032113580.db2.gz FYMRASXBTAQXPG-UHFFFAOYSA-N 2 1 340.471 3.582 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000179419578 1015382099 /nfs/dbraw/zinc/38/20/99/1015382099.db2.gz FAOGFRGWQNEJSY-UHFFFAOYSA-N 2 1 348.288 3.793 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccc(Cl)cc3Cl)C2)CC1 ZINC001209081229 1015793321 /nfs/dbraw/zinc/79/33/21/1015793321.db2.gz MCZZEHIQNLURMX-UHFFFAOYSA-N 2 1 327.299 3.954 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000370577355 1015816471 /nfs/dbraw/zinc/81/64/71/1015816471.db2.gz GBIDRPRBJLQPTB-NZSAHSFTSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](c2ccco2)N(C)C)CC1 ZINC000370577355 1015816480 /nfs/dbraw/zinc/81/64/80/1015816480.db2.gz GBIDRPRBJLQPTB-NZSAHSFTSA-N 2 1 333.520 3.515 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000471227155 1015824968 /nfs/dbraw/zinc/82/49/68/1015824968.db2.gz MWROQRNEGZFKAR-HOCLYGCPSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000471227155 1015824975 /nfs/dbraw/zinc/82/49/75/1015824975.db2.gz MWROQRNEGZFKAR-HOCLYGCPSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000471227155 1015824981 /nfs/dbraw/zinc/82/49/81/1015824981.db2.gz MWROQRNEGZFKAR-HOCLYGCPSA-N 2 1 344.421 3.746 20 0 EHADMP C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000261439303 1016047038 /nfs/dbraw/zinc/04/70/38/1016047038.db2.gz MDOHVHLIKCYXOT-QHCPKHFHSA-N 2 1 349.522 3.565 20 0 EHADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000261439303 1016047048 /nfs/dbraw/zinc/04/70/48/1016047048.db2.gz MDOHVHLIKCYXOT-QHCPKHFHSA-N 2 1 349.522 3.565 20 0 EHADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000261439303 1016047060 /nfs/dbraw/zinc/04/70/60/1016047060.db2.gz MDOHVHLIKCYXOT-QHCPKHFHSA-N 2 1 349.522 3.565 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904575091 1032140464 /nfs/dbraw/zinc/14/04/64/1032140464.db2.gz POIFCEIFABZNEH-INIZCTEOSA-N 2 1 346.519 3.514 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250188305 1120956658 /nfs/dbraw/zinc/95/66/58/1120956658.db2.gz ULNJNTYLLGRTAL-MRVWCRGKSA-N 2 1 343.334 3.911 20 0 EHADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2Br)CC1 ZINC001205149155 1121528327 /nfs/dbraw/zinc/52/83/27/1121528327.db2.gz RFARSHKXBROMLA-UHFFFAOYSA-N 2 1 325.294 3.613 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119330 1016465611 /nfs/dbraw/zinc/46/56/11/1016465611.db2.gz AABQQRJNIJYOPD-HUUCEWRRSA-N 2 1 326.431 3.979 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119330 1016465623 /nfs/dbraw/zinc/46/56/23/1016465623.db2.gz AABQQRJNIJYOPD-HUUCEWRRSA-N 2 1 326.431 3.979 20 0 EHADMP Cc1cccc2c1cc[nH+]c2N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167207959 1016586481 /nfs/dbraw/zinc/58/64/81/1016586481.db2.gz IHFVYHYRKZTTIU-GCJKJVERSA-N 2 1 329.447 3.521 20 0 EHADMP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+](CC1(O)CCCCC1)C2 ZINC000705934967 1016667421 /nfs/dbraw/zinc/66/74/21/1016667421.db2.gz QVVGJNGNBZLHMG-NHCUHLMSSA-N 2 1 342.527 3.526 20 0 EHADMP COc1ccc2oc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2c1 ZINC000536696287 1032150542 /nfs/dbraw/zinc/15/05/42/1032150542.db2.gz SKZASTJECVXJDL-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2c1 ZINC000536696287 1032150548 /nfs/dbraw/zinc/15/05/48/1032150548.db2.gz SKZASTJECVXJDL-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2c1 ZINC000536696287 1032150551 /nfs/dbraw/zinc/15/05/51/1032150551.db2.gz SKZASTJECVXJDL-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2c1 ZINC000536696287 1032150552 /nfs/dbraw/zinc/15/05/52/1032150552.db2.gz SKZASTJECVXJDL-MRXNPFEDSA-N 2 1 328.456 3.605 20 0 EHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000179102975 1016847501 /nfs/dbraw/zinc/84/75/01/1016847501.db2.gz RBKYUVIIWJSHLX-OAQYLSRUSA-N 2 1 340.511 3.853 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000537953136 1017007293 /nfs/dbraw/zinc/00/72/93/1017007293.db2.gz HPBUSOQWIVEULB-CXAGYDPISA-N 2 1 349.931 3.936 20 0 EHADMP C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925218517 1032164595 /nfs/dbraw/zinc/16/45/95/1032164595.db2.gz YSUOMIICJNPQQF-KRWDZBQOSA-N 2 1 329.532 3.806 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449083329 1032173066 /nfs/dbraw/zinc/17/30/66/1032173066.db2.gz SWKMCUZQGRMHBR-HDICACEKSA-N 2 1 332.536 3.846 20 0 EHADMP COCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000449142766 1032246507 /nfs/dbraw/zinc/24/65/07/1032246507.db2.gz UNTHKBIPQYXNBS-KWVXMBPFSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654835 1032251998 /nfs/dbraw/zinc/25/19/98/1032251998.db2.gz KCLIFSSGXFYBST-SIKLNZKXSA-N 2 1 338.495 3.846 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379654835 1032252016 /nfs/dbraw/zinc/25/20/16/1032252016.db2.gz KCLIFSSGXFYBST-SIKLNZKXSA-N 2 1 338.495 3.846 20 0 EHADMP Cc1nc(C)c(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)s1 ZINC000449177708 1032292075 /nfs/dbraw/zinc/29/20/75/1032292075.db2.gz SUJOASWXRRPRRO-OAHLLOKOSA-N 2 1 343.540 3.945 20 0 EHADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C2CC2)c1 ZINC000536833045 1032327536 /nfs/dbraw/zinc/32/75/36/1032327536.db2.gz NSDPDPMYWMBHSO-UGKGYDQZSA-N 2 1 344.543 3.974 20 0 EHADMP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc4cccnc4o3)C2)n2c1CCCC2 ZINC000449305780 1032427006 /nfs/dbraw/zinc/42/70/06/1032427006.db2.gz IDDRVUAPCDXFOQ-MRXNPFEDSA-N 2 1 336.439 3.740 20 0 EHADMP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc4cccnc4o3)C2)n2c1CCCC2 ZINC000449305780 1032427013 /nfs/dbraw/zinc/42/70/13/1032427013.db2.gz IDDRVUAPCDXFOQ-MRXNPFEDSA-N 2 1 336.439 3.740 20 0 EHADMP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000459744086 1032457439 /nfs/dbraw/zinc/45/74/39/1032457439.db2.gz XRXTXVVKNAGTEU-GJZGRUSLSA-N 2 1 339.321 3.874 20 0 EHADMP CS[C@H]1CCCC[NH+](CCC[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000118971718 1032484865 /nfs/dbraw/zinc/48/48/65/1032484865.db2.gz BDXRZWJEGKIEFL-IRXDYDNUSA-N 2 1 330.607 3.812 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000091319395 1032685305 /nfs/dbraw/zinc/68/53/05/1032685305.db2.gz IEOWEWMSPHJOIE-IRLDBZIGSA-N 2 1 337.511 3.933 20 0 EHADMP Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000892737905 1017280477 /nfs/dbraw/zinc/28/04/77/1017280477.db2.gz OHDZXJWIDDDHCR-OAHLLOKOSA-N 2 1 334.460 3.595 20 0 EHADMP Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000892737905 1017280485 /nfs/dbraw/zinc/28/04/85/1017280485.db2.gz OHDZXJWIDDDHCR-OAHLLOKOSA-N 2 1 334.460 3.595 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)o1 ZINC000892742968 1017288594 /nfs/dbraw/zinc/28/85/94/1017288594.db2.gz UKUFHKUERSOTRO-UHFFFAOYSA-N 2 1 328.456 3.954 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000892750534 1017315669 /nfs/dbraw/zinc/31/56/69/1017315669.db2.gz KRFROWXJZMMZJR-UHFFFAOYSA-N 2 1 332.536 3.825 20 0 EHADMP c1ccc(OCc2ccncc2)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000340400011 1017367856 /nfs/dbraw/zinc/36/78/56/1017367856.db2.gz IQNVBCUSDBKENA-UHFFFAOYSA-N 2 1 339.483 3.626 20 0 EHADMP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000547928463 1017379973 /nfs/dbraw/zinc/37/99/73/1017379973.db2.gz BQKZWCRAAXWSRQ-KRWDZBQOSA-N 2 1 326.406 3.797 20 0 EHADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCCC2)cc1 ZINC000655688028 1017388178 /nfs/dbraw/zinc/38/81/78/1017388178.db2.gz GWOGBVFVBIZXFP-NRFANRHFSA-N 2 1 342.527 3.731 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655717363 1017449521 /nfs/dbraw/zinc/44/95/21/1017449521.db2.gz CLFYMSNHIOVNOS-HXUWFJFHSA-N 2 1 330.516 3.587 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415036684 1017451804 /nfs/dbraw/zinc/45/18/04/1017451804.db2.gz GAHUYLIKFJOKRO-OALUTQOASA-N 2 1 346.515 3.838 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054179 1017473302 /nfs/dbraw/zinc/47/33/02/1017473302.db2.gz PMAPXTLCZYIKDL-WBVHZDCISA-N 2 1 342.405 3.592 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]CCC[NH2+]C2CC2)cc(C(F)(F)F)c1 ZINC000415069907 1017503263 /nfs/dbraw/zinc/50/32/63/1017503263.db2.gz PMXUOGRLLIRQPI-UHFFFAOYSA-N 2 1 340.311 3.956 20 0 EHADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000415084019 1017528490 /nfs/dbraw/zinc/52/84/90/1017528490.db2.gz OOWTXTNRXOMZLT-GDBMZVCRSA-N 2 1 329.419 3.633 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCCC(C)C ZINC000415132334 1017598553 /nfs/dbraw/zinc/59/85/53/1017598553.db2.gz UACVJRGALYPGBP-SJLPKXTDSA-N 2 1 334.504 3.537 20 0 EHADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(Cc2ccccc2)c1 ZINC000655849641 1017767983 /nfs/dbraw/zinc/76/79/83/1017767983.db2.gz XRBIGSXTCZOPED-DZFGPLHGSA-N 2 1 338.499 3.599 20 0 EHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(-c2ccnn2C)c1 ZINC000549249677 1017867120 /nfs/dbraw/zinc/86/71/20/1017867120.db2.gz YTIMDUMLJPGPGU-SFHVURJKSA-N 2 1 340.515 3.750 20 0 EHADMP COc1ccccc1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000892948687 1017903409 /nfs/dbraw/zinc/90/34/09/1017903409.db2.gz XOQAZSAUMBZXOI-MFXLTOHQSA-N 2 1 336.479 3.999 20 0 EHADMP c1ccc(COc2ccccc2C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000655936661 1017960471 /nfs/dbraw/zinc/96/04/71/1017960471.db2.gz KJCQGZXSAFHQJH-UHFFFAOYSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccccc2C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000655936661 1017960486 /nfs/dbraw/zinc/96/04/86/1017960486.db2.gz KJCQGZXSAFHQJH-UHFFFAOYSA-N 2 1 336.479 3.982 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)ccc1OC ZINC000340594762 1018601565 /nfs/dbraw/zinc/60/15/65/1018601565.db2.gz CWAHDTLBVAZYPM-UHFFFAOYSA-N 2 1 330.447 3.918 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000449561622 1032810428 /nfs/dbraw/zinc/81/04/28/1032810428.db2.gz WGIVZBYXACKULR-LNRIEFBSSA-N 2 1 349.906 3.580 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430432 1019351965 /nfs/dbraw/zinc/35/19/65/1019351965.db2.gz DZYGDWKVYVKYNW-YYWHXJBOSA-N 2 1 342.527 3.977 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430432 1019351976 /nfs/dbraw/zinc/35/19/76/1019351976.db2.gz DZYGDWKVYVKYNW-YYWHXJBOSA-N 2 1 342.527 3.977 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513211806 1019417321 /nfs/dbraw/zinc/41/73/21/1019417321.db2.gz BSRQGGDKIGEPAC-SIKLNZKXSA-N 3 1 343.559 3.751 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513211806 1019417331 /nfs/dbraw/zinc/41/73/31/1019417331.db2.gz BSRQGGDKIGEPAC-SIKLNZKXSA-N 3 1 343.559 3.751 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261696841 1019438634 /nfs/dbraw/zinc/43/86/34/1019438634.db2.gz JMMUFWZDMWNWGN-LJQANCHMSA-N 2 1 326.488 3.754 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735081 1019496522 /nfs/dbraw/zinc/49/65/22/1019496522.db2.gz LBMSWMCNWVGYAV-UHFFFAOYSA-N 2 1 327.516 3.643 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000580501557 1019513417 /nfs/dbraw/zinc/51/34/17/1019513417.db2.gz KBAPVLHNNLDMJW-QKNQBKEWSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000580501557 1019513433 /nfs/dbraw/zinc/51/34/33/1019513433.db2.gz KBAPVLHNNLDMJW-QKNQBKEWSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000580501557 1019513446 /nfs/dbraw/zinc/51/34/46/1019513446.db2.gz KBAPVLHNNLDMJW-QKNQBKEWSA-N 2 1 331.548 3.607 20 0 EHADMP Cc1ncsc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513488163 1019744997 /nfs/dbraw/zinc/74/49/97/1019744997.db2.gz QBPZWZPGKFTUSZ-MAUKXSAKSA-N 2 1 329.513 3.842 20 0 EHADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345159459 1019995231 /nfs/dbraw/zinc/99/52/31/1019995231.db2.gz HLVWCJSGXKXURR-CEXWTWQISA-N 2 1 340.515 3.539 20 0 EHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000262026381 1020307077 /nfs/dbraw/zinc/30/70/77/1020307077.db2.gz YHXLNHTZQIDWIH-ZDUSSCGKSA-N 2 1 344.286 3.525 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC000065976513 1020518790 /nfs/dbraw/zinc/51/87/90/1020518790.db2.gz HPOWZJBRSFQANB-UHFFFAOYSA-N 2 1 349.482 3.602 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513702411 1020598752 /nfs/dbraw/zinc/59/87/52/1020598752.db2.gz ITCCDFVRCURNAA-ULQDDVLXSA-N 2 1 342.405 3.590 20 0 EHADMP COCc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000093844506 1032914496 /nfs/dbraw/zinc/91/44/96/1032914496.db2.gz BWCBLOOOAQKQDW-QGZVFWFLSA-N 2 1 334.504 3.903 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000513702814 1020647226 /nfs/dbraw/zinc/64/72/26/1020647226.db2.gz NIDDKTCTIUJRNC-CEXWTWQISA-N 2 1 336.907 3.961 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000349404662 1020796232 /nfs/dbraw/zinc/79/62/32/1020796232.db2.gz GFAAUURZYCMMPU-UHFFFAOYSA-N 2 1 329.341 3.872 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000349404662 1020796242 /nfs/dbraw/zinc/79/62/42/1020796242.db2.gz GFAAUURZYCMMPU-UHFFFAOYSA-N 2 1 329.341 3.872 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC(F)(F)C3)C2)s1 ZINC000581432184 1020909543 /nfs/dbraw/zinc/90/95/43/1020909543.db2.gz MYPDWBNZCBAROI-CQSZACIVSA-N 2 1 328.472 3.856 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC(F)(F)C3)C2)s1 ZINC000581432184 1020909548 /nfs/dbraw/zinc/90/95/48/1020909548.db2.gz MYPDWBNZCBAROI-CQSZACIVSA-N 2 1 328.472 3.856 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC(F)(F)C3)C2)s1 ZINC000581432184 1020909560 /nfs/dbraw/zinc/90/95/60/1020909560.db2.gz MYPDWBNZCBAROI-CQSZACIVSA-N 2 1 328.472 3.856 20 0 EHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000581458564 1020931328 /nfs/dbraw/zinc/93/13/28/1020931328.db2.gz YROWEHKIAFVQCO-JKSUJKDBSA-N 2 1 343.515 3.744 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000581458564 1020931334 /nfs/dbraw/zinc/93/13/34/1020931334.db2.gz YROWEHKIAFVQCO-JKSUJKDBSA-N 2 1 343.515 3.744 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501317 1021058811 /nfs/dbraw/zinc/05/88/11/1021058811.db2.gz FERCRZYEJGFCJV-WOJBJXKFSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CCC2(CN(C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501317 1021058818 /nfs/dbraw/zinc/05/88/18/1021058818.db2.gz FERCRZYEJGFCJV-WOJBJXKFSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CCC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501317 1021058828 /nfs/dbraw/zinc/05/88/28/1021058828.db2.gz FERCRZYEJGFCJV-WOJBJXKFSA-N 2 1 335.580 3.552 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090187369 1021118082 /nfs/dbraw/zinc/11/80/82/1021118082.db2.gz TVQWGDKPANOCOV-FQEVSTJZSA-N 2 1 340.515 3.614 20 0 EHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cccc(Cl)c1 ZINC000157297620 1021149284 /nfs/dbraw/zinc/14/92/84/1021149284.db2.gz UIZSCNCQJGNWSI-GOSISDBHSA-N 2 1 349.906 3.619 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246584 1021179525 /nfs/dbraw/zinc/17/95/25/1021179525.db2.gz KNDIMZLFYUCYPY-IIYDPXPESA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246584 1021179530 /nfs/dbraw/zinc/17/95/30/1021179530.db2.gz KNDIMZLFYUCYPY-IIYDPXPESA-N 2 1 337.305 3.899 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427277777 1021273909 /nfs/dbraw/zinc/27/39/09/1021273909.db2.gz TWBZLIHBIGKDPW-ROUUACIJSA-N 2 1 343.515 3.779 20 0 EHADMP FC(F)Oc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000342809918 1021389808 /nfs/dbraw/zinc/38/98/08/1021389808.db2.gz MUJBMXKJAROIQR-UHFFFAOYSA-N 2 1 339.430 3.570 20 0 EHADMP O=C1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000296813685 1021438001 /nfs/dbraw/zinc/43/80/01/1021438001.db2.gz QIOPGDYPJVNOHQ-IFMALSPDSA-N 2 1 340.511 3.732 20 0 EHADMP O=C1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000296813685 1021438005 /nfs/dbraw/zinc/43/80/05/1021438005.db2.gz QIOPGDYPJVNOHQ-IFMALSPDSA-N 2 1 340.511 3.732 20 0 EHADMP O=C1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000296813685 1021438010 /nfs/dbraw/zinc/43/80/10/1021438010.db2.gz QIOPGDYPJVNOHQ-IFMALSPDSA-N 2 1 340.511 3.732 20 0 EHADMP O=C1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000296813685 1021438015 /nfs/dbraw/zinc/43/80/15/1021438015.db2.gz QIOPGDYPJVNOHQ-IFMALSPDSA-N 2 1 340.511 3.732 20 0 EHADMP FC(F)(F)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167964579 1021459631 /nfs/dbraw/zinc/45/96/31/1021459631.db2.gz TWCFODKMJAOBAN-ALOPSCKCSA-N 2 1 339.405 3.595 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000684385658 1021510396 /nfs/dbraw/zinc/51/03/96/1021510396.db2.gz KKBMFQFDSGLMSZ-PMACEKPBSA-N 2 1 342.483 3.959 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)cc1O ZINC000426415086 1021515329 /nfs/dbraw/zinc/51/53/29/1021515329.db2.gz YMHDREIEISDCTC-MRXNPFEDSA-N 2 1 334.504 3.576 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000684387815 1021527785 /nfs/dbraw/zinc/52/77/85/1021527785.db2.gz JNZQDLOVUZQNMT-BVOGOJNSSA-N 2 1 330.516 3.834 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)cc1O ZINC000426418590 1021532470 /nfs/dbraw/zinc/53/24/70/1021532470.db2.gz HITSUMJVYCUOEY-LPHOPBHVSA-N 2 1 348.531 3.822 20 0 EHADMP C[N@@H+](Cc1ccc2c(n1)CCC2)C1CCN(Cc2ccccc2)CC1 ZINC000519629478 1021581469 /nfs/dbraw/zinc/58/14/69/1021581469.db2.gz HHWMATYIUOYXIE-UHFFFAOYSA-N 2 1 335.495 3.667 20 0 EHADMP COC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C)o1 ZINC000156371973 1021664270 /nfs/dbraw/zinc/66/42/70/1021664270.db2.gz ZANDSCWHWFVWOS-QFBILLFUSA-N 2 1 346.471 3.567 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)CCC(C)C)C2)s1 ZINC000521052427 1021756540 /nfs/dbraw/zinc/75/65/40/1021756540.db2.gz WAHVWSBPSKJFGS-ROUUACIJSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CCC(C)C)C2)s1 ZINC000521052427 1021756556 /nfs/dbraw/zinc/75/65/56/1021756556.db2.gz WAHVWSBPSKJFGS-ROUUACIJSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CCC(C)C)C2)s1 ZINC000521052427 1021756569 /nfs/dbraw/zinc/75/65/69/1021756569.db2.gz WAHVWSBPSKJFGS-ROUUACIJSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000607143482 1033011164 /nfs/dbraw/zinc/01/11/64/1033011164.db2.gz PASUHTUJBXFRTG-UONOGXRCSA-N 2 1 347.409 3.605 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414908088 1021940736 /nfs/dbraw/zinc/94/07/36/1021940736.db2.gz NWMODPYNJJDXKO-IBGZPJMESA-N 2 1 346.906 3.622 20 0 EHADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc(F)cc1 ZINC000437966686 1022284321 /nfs/dbraw/zinc/28/43/21/1022284321.db2.gz XFJLYJOVLXINTD-LRQRDZAKSA-N 2 1 341.474 3.949 20 0 EHADMP Fc1cccc2[nH]c(CN3CC[C@@H](n4cnc5c4CCCC5)C3)cc21 ZINC000437978528 1022302519 /nfs/dbraw/zinc/30/25/19/1022302519.db2.gz MREIHSVHRHHSRQ-OAHLLOKOSA-N 2 1 338.430 3.829 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3scnc3C)C2)s1 ZINC000574329455 1033045142 /nfs/dbraw/zinc/04/51/42/1033045142.db2.gz HYWWNEUWQWYFGZ-MRXNPFEDSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3scnc3C)C2)s1 ZINC000574329455 1033045148 /nfs/dbraw/zinc/04/51/48/1033045148.db2.gz HYWWNEUWQWYFGZ-MRXNPFEDSA-N 2 1 349.569 3.818 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3scnc3C)C2)s1 ZINC000574329455 1033045162 /nfs/dbraw/zinc/04/51/62/1033045162.db2.gz HYWWNEUWQWYFGZ-MRXNPFEDSA-N 2 1 349.569 3.818 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cccc(Br)c1F)C1CC1 ZINC000453596578 1022341634 /nfs/dbraw/zinc/34/16/34/1022341634.db2.gz LWXYHPWQVOPKBY-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP C[N@@H+](Cc1ccccc1C[NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC000438086057 1022368508 /nfs/dbraw/zinc/36/85/08/1022368508.db2.gz RMTYCUWQNFIACD-GOSISDBHSA-N 2 1 330.516 3.967 20 0 EHADMP Cc1ccccc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994381 1022414070 /nfs/dbraw/zinc/41/40/70/1022414070.db2.gz CAGFBJNQLIBCHB-JKWVGCSGSA-N 2 1 340.511 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994381 1022414077 /nfs/dbraw/zinc/41/40/77/1022414077.db2.gz CAGFBJNQLIBCHB-JKWVGCSGSA-N 2 1 340.511 3.854 20 0 EHADMP Cc1ccccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994381 1022414087 /nfs/dbraw/zinc/41/40/87/1022414087.db2.gz CAGFBJNQLIBCHB-JKWVGCSGSA-N 2 1 340.511 3.854 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000425953149 1022421224 /nfs/dbraw/zinc/42/12/24/1022421224.db2.gz RHFPBDZANWTWFV-ZIAGYGMSSA-N 2 1 334.895 3.682 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000291996367 1022424234 /nfs/dbraw/zinc/42/42/34/1022424234.db2.gz BRHTVTIHNXNOOA-WMZOPIPTSA-N 2 1 329.488 3.532 20 0 EHADMP CN(CCC(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995480 1022441778 /nfs/dbraw/zinc/44/17/78/1022441778.db2.gz GZTJUDMLNBYHLB-YOFSQIOKSA-N 2 1 326.484 3.597 20 0 EHADMP C[N@H+](CCC(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995480 1022441790 /nfs/dbraw/zinc/44/17/90/1022441790.db2.gz GZTJUDMLNBYHLB-YOFSQIOKSA-N 2 1 326.484 3.597 20 0 EHADMP C[N@@H+](CCC(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995480 1022441799 /nfs/dbraw/zinc/44/17/99/1022441799.db2.gz GZTJUDMLNBYHLB-YOFSQIOKSA-N 2 1 326.484 3.597 20 0 EHADMP C[NH+](CCC(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995480 1022441809 /nfs/dbraw/zinc/44/18/09/1022441809.db2.gz GZTJUDMLNBYHLB-YOFSQIOKSA-N 2 1 326.484 3.597 20 0 EHADMP C[NH+](CCC(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995480 1022441819 /nfs/dbraw/zinc/44/18/19/1022441819.db2.gz GZTJUDMLNBYHLB-YOFSQIOKSA-N 2 1 326.484 3.597 20 0 EHADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438210541 1022471843 /nfs/dbraw/zinc/47/18/43/1022471843.db2.gz JBDHAHAOMUQFOF-QUCCMNQESA-N 2 1 340.486 3.911 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000129468047 1022505712 /nfs/dbraw/zinc/50/57/12/1022505712.db2.gz SXFLQJLQEBYXMQ-UHFFFAOYSA-N 2 1 340.311 3.908 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167975177 1022577889 /nfs/dbraw/zinc/57/78/89/1022577889.db2.gz KLLNZDLEPAKUSH-XOVOESDLSA-N 3 1 331.548 3.516 20 0 EHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975177 1022577893 /nfs/dbraw/zinc/57/78/93/1022577893.db2.gz KLLNZDLEPAKUSH-XOVOESDLSA-N 3 1 331.548 3.516 20 0 EHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975177 1022577904 /nfs/dbraw/zinc/57/79/04/1022577904.db2.gz KLLNZDLEPAKUSH-XOVOESDLSA-N 3 1 331.548 3.516 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167975177 1022577909 /nfs/dbraw/zinc/57/79/09/1022577909.db2.gz KLLNZDLEPAKUSH-XOVOESDLSA-N 2 1 331.548 3.516 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167975177 1022577921 /nfs/dbraw/zinc/57/79/21/1022577921.db2.gz KLLNZDLEPAKUSH-XOVOESDLSA-N 2 1 331.548 3.516 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000471852281 1022582398 /nfs/dbraw/zinc/58/23/98/1022582398.db2.gz LPKHAYBZRYXOPD-QUCCMNQESA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000471852281 1022582404 /nfs/dbraw/zinc/58/24/04/1022582404.db2.gz LPKHAYBZRYXOPD-QUCCMNQESA-N 2 1 343.902 3.907 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CCCO2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837141 1022699572 /nfs/dbraw/zinc/69/95/72/1022699572.db2.gz GBBNRHSYVVHPHS-LEWJYISDSA-N 2 1 342.527 3.788 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158093063 1022822974 /nfs/dbraw/zinc/82/29/74/1022822974.db2.gz QSKKIVOMNSYIQC-IRXDYDNUSA-N 2 1 346.519 3.553 20 0 EHADMP CCn1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(-c2ccccc2)n1 ZINC000894776252 1022864024 /nfs/dbraw/zinc/86/40/24/1022864024.db2.gz FELXZYBAVHZUDA-UHFFFAOYSA-N 2 1 337.471 3.597 20 0 EHADMP CCn1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(-c2ccccc2)n1 ZINC000894776252 1022864041 /nfs/dbraw/zinc/86/40/41/1022864041.db2.gz FELXZYBAVHZUDA-UHFFFAOYSA-N 2 1 337.471 3.597 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341661153 1022910194 /nfs/dbraw/zinc/91/01/94/1022910194.db2.gz TXSWXMFYONYRDS-DYVFJYSZSA-N 2 1 333.863 3.985 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000237168618 1022972052 /nfs/dbraw/zinc/97/20/52/1022972052.db2.gz WNUIMNAESGTZMB-UHFFFAOYSA-N 2 1 332.394 3.941 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1O ZINC000426153475 1022992747 /nfs/dbraw/zinc/99/27/47/1022992747.db2.gz NGGODIDDYWELTQ-ZACQAIPSSA-N 2 1 334.504 3.574 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1O ZINC000426153475 1022992764 /nfs/dbraw/zinc/99/27/64/1022992764.db2.gz NGGODIDDYWELTQ-ZACQAIPSSA-N 2 1 334.504 3.574 20 0 EHADMP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]c2ccc(Br)cc21 ZINC000607355432 1033101555 /nfs/dbraw/zinc/10/15/55/1033101555.db2.gz HOLZBWJGXUUMPJ-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2ccc(Br)cc21 ZINC000607355432 1033101563 /nfs/dbraw/zinc/10/15/63/1033101563.db2.gz HOLZBWJGXUUMPJ-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638564514 1023135902 /nfs/dbraw/zinc/13/59/02/1023135902.db2.gz DCYKPEVLZCGIII-IFMALSPDSA-N 3 1 341.543 3.676 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638564514 1023135912 /nfs/dbraw/zinc/13/59/12/1023135912.db2.gz DCYKPEVLZCGIII-IFMALSPDSA-N 3 1 341.543 3.676 20 0 EHADMP COc1cccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168001311 1023255160 /nfs/dbraw/zinc/25/51/60/1023255160.db2.gz AHPGSPMAANIIGW-MQEZQYLSSA-N 2 1 340.511 3.890 20 0 EHADMP COc1cccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168001311 1023255169 /nfs/dbraw/zinc/25/51/69/1023255169.db2.gz AHPGSPMAANIIGW-MQEZQYLSSA-N 2 1 340.511 3.890 20 0 EHADMP COc1cccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168001311 1023255177 /nfs/dbraw/zinc/25/51/77/1023255177.db2.gz AHPGSPMAANIIGW-MQEZQYLSSA-N 2 1 340.511 3.890 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000341816716 1023369942 /nfs/dbraw/zinc/36/99/42/1023369942.db2.gz UCXVHPJOFPUPOW-UHFFFAOYSA-N 2 1 332.488 3.591 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000283216609 1023413798 /nfs/dbraw/zinc/41/37/98/1023413798.db2.gz HONJVKKEPKGQCW-OAQYLSRUSA-N 2 1 329.532 3.630 20 0 EHADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481581 1023475297 /nfs/dbraw/zinc/47/52/97/1023475297.db2.gz PGFDQHSTHKFTAK-VCOUNFBDSA-N 2 1 338.495 3.529 20 0 EHADMP COCC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960211 1023535641 /nfs/dbraw/zinc/53/56/41/1023535641.db2.gz QRCPGTNBUNGTLF-IHPCNDPISA-N 2 1 332.532 3.938 20 0 EHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657876826 1033155520 /nfs/dbraw/zinc/15/55/20/1033155520.db2.gz NUHPOILFVLQLCY-NVXWUHKLSA-N 2 1 328.422 3.958 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000657182874 1023917836 /nfs/dbraw/zinc/91/78/36/1023917836.db2.gz XIVPBTHQWKVKHR-DLBZAZTESA-N 2 1 334.504 3.694 20 0 EHADMP C[C@H]1C[C@@H](N(C)CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000093644558 1023985965 /nfs/dbraw/zinc/98/59/65/1023985965.db2.gz IVGXVWSQHJTHGQ-ICSRJNTNSA-N 2 1 331.548 3.559 20 0 EHADMP C[C@H]1C[C@@H](N(C)CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644558 1023985984 /nfs/dbraw/zinc/98/59/84/1023985984.db2.gz IVGXVWSQHJTHGQ-ICSRJNTNSA-N 2 1 331.548 3.559 20 0 EHADMP C[C@H]1C[C@@H](N(C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644558 1023985994 /nfs/dbraw/zinc/98/59/94/1023985994.db2.gz IVGXVWSQHJTHGQ-ICSRJNTNSA-N 2 1 331.548 3.559 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000474076765 1024004296 /nfs/dbraw/zinc/00/42/96/1024004296.db2.gz TVPUPWRIKYHRBB-MISYRCLQSA-N 2 1 346.515 3.545 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000474076765 1024004308 /nfs/dbraw/zinc/00/43/08/1024004308.db2.gz TVPUPWRIKYHRBB-MISYRCLQSA-N 2 1 346.515 3.545 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2c(c1)OCCCO2 ZINC000323901782 1024016935 /nfs/dbraw/zinc/01/69/35/1024016935.db2.gz PUHDTRIRKUITRC-KRWDZBQOSA-N 2 1 332.488 3.621 20 0 EHADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000647990185 1024039802 /nfs/dbraw/zinc/03/98/02/1024039802.db2.gz BZIJMTKYLXTERI-KRWDZBQOSA-N 2 1 347.572 3.981 20 0 EHADMP C[C@@H]1CN(c2ccnc3c(Br)cccc23)[C@@H](C)C[N@H+]1C ZINC000443522453 1024098430 /nfs/dbraw/zinc/09/84/30/1024098430.db2.gz MEGXRKFSGDOSGI-NEPJUHHUSA-N 2 1 334.261 3.526 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCOC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168046529 1024137447 /nfs/dbraw/zinc/13/74/47/1024137447.db2.gz NSCZPNJWZCPFKU-NPDDRXJXSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046529 1024137456 /nfs/dbraw/zinc/13/74/56/1024137456.db2.gz NSCZPNJWZCPFKU-NPDDRXJXSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046529 1024137466 /nfs/dbraw/zinc/13/74/66/1024137466.db2.gz NSCZPNJWZCPFKU-NPDDRXJXSA-N 2 1 342.527 3.931 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000277199715 1024195529 /nfs/dbraw/zinc/19/55/29/1024195529.db2.gz MMLUGRBYHYRTRZ-OAHLLOKOSA-N 2 1 330.394 3.544 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000277199715 1024195539 /nfs/dbraw/zinc/19/55/39/1024195539.db2.gz MMLUGRBYHYRTRZ-OAHLLOKOSA-N 2 1 330.394 3.544 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000277203507 1024209528 /nfs/dbraw/zinc/20/95/28/1024209528.db2.gz MRSMLXGPARKDJY-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000277203507 1024209542 /nfs/dbraw/zinc/20/95/42/1024209542.db2.gz MRSMLXGPARKDJY-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000277230618 1024269559 /nfs/dbraw/zinc/26/95/59/1024269559.db2.gz YRDMJYJEHGBMCU-CMKODMSKSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1CC([NH2+]CC(C)(C)C[NH+](C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168023775 1024291807 /nfs/dbraw/zinc/29/18/07/1024291807.db2.gz XVTUSDXJSRPXOP-ROUUACIJSA-N 3 1 331.548 3.605 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1O ZINC000277242923 1024302371 /nfs/dbraw/zinc/30/23/71/1024302371.db2.gz OPOVAJZMHWKKFV-PKOBYXMFSA-N 2 1 348.531 3.680 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCCC(C)C ZINC000622854176 1024371492 /nfs/dbraw/zinc/37/14/92/1024371492.db2.gz VTFXUYVGCBRUNS-RBUKOAKNSA-N 2 1 346.515 3.837 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCCC(C)C ZINC000622854176 1024371507 /nfs/dbraw/zinc/37/15/07/1024371507.db2.gz VTFXUYVGCBRUNS-RBUKOAKNSA-N 2 1 346.515 3.837 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000280876551 1024386509 /nfs/dbraw/zinc/38/65/09/1024386509.db2.gz DUGPACFYARDCPP-MQMHXKEQSA-N 2 1 341.268 3.518 20 0 EHADMP COc1ccc([C@@H]2CC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)cc1 ZINC000346185755 1024467906 /nfs/dbraw/zinc/46/79/06/1024467906.db2.gz SCORWHWVUOMLMI-GOSISDBHSA-N 2 1 348.450 3.574 20 0 EHADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346171105 1024484082 /nfs/dbraw/zinc/48/40/82/1024484082.db2.gz NXXBLHLAQVOCBO-LIRRHRJNSA-N 2 1 339.464 3.758 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000414860024 1024514021 /nfs/dbraw/zinc/51/40/21/1024514021.db2.gz VCNRUDAFKWBLQX-QWRGUYRKSA-N 2 1 331.685 3.580 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCCCn1cc(C)cn1 ZINC000277305732 1024538488 /nfs/dbraw/zinc/53/84/88/1024538488.db2.gz UKZKQJWTJQIIQK-UHFFFAOYSA-N 2 1 331.508 3.533 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCCCn1cc(C)cn1 ZINC000277305732 1024538498 /nfs/dbraw/zinc/53/84/98/1024538498.db2.gz UKZKQJWTJQIIQK-UHFFFAOYSA-N 2 1 331.508 3.533 20 0 EHADMP C[C@H]1CC([NH2+]Cc2ccc(F)nc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168030371 1024578293 /nfs/dbraw/zinc/57/82/93/1024578293.db2.gz VJCPRAUHDTWKID-HOTGVXAUSA-N 2 1 327.447 3.752 20 0 EHADMP C[C@@H]1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009767 1024678767 /nfs/dbraw/zinc/67/87/67/1024678767.db2.gz HZVHRHKIRDTASZ-SBHAEUEKSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1CC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168009767 1024678770 /nfs/dbraw/zinc/67/87/70/1024678770.db2.gz HZVHRHKIRDTASZ-SBHAEUEKSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168009767 1024678774 /nfs/dbraw/zinc/67/87/74/1024678774.db2.gz HZVHRHKIRDTASZ-SBHAEUEKSA-N 2 1 343.559 3.750 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2ccccn2)cc1 ZINC000281160428 1024718235 /nfs/dbraw/zinc/71/82/35/1024718235.db2.gz GCQGWIJDGDAMMH-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2ccccn2)cc1 ZINC000281160428 1024718251 /nfs/dbraw/zinc/71/82/51/1024718251.db2.gz GCQGWIJDGDAMMH-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP COC(C)(C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000346441355 1024735550 /nfs/dbraw/zinc/73/55/50/1024735550.db2.gz CZPBLCBLHDACCC-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427720972 1024753036 /nfs/dbraw/zinc/75/30/36/1024753036.db2.gz WBWWLHKJTMNVSE-QGZVFWFLSA-N 2 1 341.421 3.940 20 0 EHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000427721685 1024754771 /nfs/dbraw/zinc/75/47/71/1024754771.db2.gz IZUWMYMPTPKNFV-OAQYLSRUSA-N 2 1 344.543 3.878 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895788791 1024836505 /nfs/dbraw/zinc/83/65/05/1024836505.db2.gz HHLNZUBHOCTPKK-GIVPXCGWSA-N 2 1 340.511 3.903 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895788791 1024836526 /nfs/dbraw/zinc/83/65/26/1024836526.db2.gz HHLNZUBHOCTPKK-GIVPXCGWSA-N 2 1 340.511 3.903 20 0 EHADMP c1c2cnccc2oc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791912 1024837267 /nfs/dbraw/zinc/83/72/67/1024837267.db2.gz HPFQGDYNKOJHPN-AZUAARDMSA-N 2 1 347.462 3.782 20 0 EHADMP c1c2cnccc2oc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791912 1024837296 /nfs/dbraw/zinc/83/72/96/1024837296.db2.gz HPFQGDYNKOJHPN-AZUAARDMSA-N 2 1 347.462 3.782 20 0 EHADMP c1c2cnccc2oc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791912 1024837313 /nfs/dbraw/zinc/83/73/13/1024837313.db2.gz HPFQGDYNKOJHPN-AZUAARDMSA-N 2 1 347.462 3.782 20 0 EHADMP c1c2cnccc2oc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791912 1024837337 /nfs/dbraw/zinc/83/73/37/1024837337.db2.gz HPFQGDYNKOJHPN-AZUAARDMSA-N 2 1 347.462 3.782 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435376366 1024843537 /nfs/dbraw/zinc/84/35/37/1024843537.db2.gz ZGQOVXXXVHNHIP-QAPCUYQASA-N 2 1 328.431 3.574 20 0 EHADMP CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435382332 1024865425 /nfs/dbraw/zinc/86/54/25/1024865425.db2.gz YWZZWOGJFAEPCD-FQEVSTJZSA-N 2 1 339.483 3.625 20 0 EHADMP Cc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433336 1024904284 /nfs/dbraw/zinc/90/42/84/1024904284.db2.gz RKFSLGZYVFZOAZ-KRWDZBQOSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433336 1024904298 /nfs/dbraw/zinc/90/42/98/1024904298.db2.gz RKFSLGZYVFZOAZ-KRWDZBQOSA-N 2 1 327.497 3.596 20 0 EHADMP CCc1ncc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435425033 1024913721 /nfs/dbraw/zinc/91/37/21/1024913721.db2.gz BEBBEGZFGSDKET-MRXNPFEDSA-N 2 1 347.553 3.911 20 0 EHADMP CCc1ncc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435425033 1024913729 /nfs/dbraw/zinc/91/37/29/1024913729.db2.gz BEBBEGZFGSDKET-MRXNPFEDSA-N 2 1 347.553 3.911 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2SC)[C@@H](C)C1 ZINC000346605864 1024945544 /nfs/dbraw/zinc/94/55/44/1024945544.db2.gz JAYCFYGEATUPJO-WMZOPIPTSA-N 2 1 336.545 3.635 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2SC)[C@@H](C)C1 ZINC000346605864 1024945555 /nfs/dbraw/zinc/94/55/55/1024945555.db2.gz JAYCFYGEATUPJO-WMZOPIPTSA-N 2 1 336.545 3.635 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000665254869 1024959082 /nfs/dbraw/zinc/95/90/82/1024959082.db2.gz AUHQNZXBQMCWSX-XPGWFJOJSA-N 2 1 348.556 3.652 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435617708 1025036721 /nfs/dbraw/zinc/03/67/21/1025036721.db2.gz NZTIHRAOROGIJF-HMXCVIKNSA-N 2 1 345.531 3.621 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435617708 1025036730 /nfs/dbraw/zinc/03/67/30/1025036730.db2.gz NZTIHRAOROGIJF-HMXCVIKNSA-N 2 1 345.531 3.621 20 0 EHADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428221354 1025056060 /nfs/dbraw/zinc/05/60/60/1025056060.db2.gz KHWGCGVRMJHHBV-BGJPATFMSA-N 2 1 344.543 3.674 20 0 EHADMP Clc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c2ncccc12 ZINC000414872639 1025092817 /nfs/dbraw/zinc/09/28/17/1025092817.db2.gz GFUDVGXWSGSYTC-UHFFFAOYSA-N 2 1 340.858 3.553 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000158022399 1025323631 /nfs/dbraw/zinc/32/36/31/1025323631.db2.gz NRXBEZCUUVLMPH-MSOLQXFVSA-N 2 1 348.531 3.666 20 0 EHADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000151931135 1033275004 /nfs/dbraw/zinc/27/50/04/1033275004.db2.gz STUVTKNOSAWPQI-OAHLLOKOSA-N 2 1 333.476 3.868 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040776 1025338974 /nfs/dbraw/zinc/33/89/74/1025338974.db2.gz PBFDFEZWPCCCGX-MXNKGDRCSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040776 1025338982 /nfs/dbraw/zinc/33/89/82/1025338982.db2.gz PBFDFEZWPCCCGX-MXNKGDRCSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040776 1025338992 /nfs/dbraw/zinc/33/89/92/1025338992.db2.gz PBFDFEZWPCCCGX-MXNKGDRCSA-N 2 1 344.543 3.913 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000130570173 1025398782 /nfs/dbraw/zinc/39/87/82/1025398782.db2.gz HWIPOFSGPXVJAT-UHFFFAOYSA-N 2 1 343.446 3.977 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442710496 1025436823 /nfs/dbraw/zinc/43/68/23/1025436823.db2.gz QAYDLXKMRLGCEN-IRXDYDNUSA-N 2 1 325.500 3.879 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC1(C)C ZINC000442875714 1025547137 /nfs/dbraw/zinc/54/71/37/1025547137.db2.gz WOSFTWUHJDLDFA-PKOBYXMFSA-N 2 1 349.950 3.592 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000436292626 1025556140 /nfs/dbraw/zinc/55/61/40/1025556140.db2.gz BMJNQCRMKHYXDI-BVPXEZJJSA-N 2 1 348.506 3.798 20 0 EHADMP Cc1cc2cc([C@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc2cc1C ZINC000442878315 1025556882 /nfs/dbraw/zinc/55/68/82/1025556882.db2.gz SRQDXGPEJWQQML-KRWDZBQOSA-N 2 1 343.515 3.726 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000436294072 1025558504 /nfs/dbraw/zinc/55/85/04/1025558504.db2.gz WULJABRXEFVUKC-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436297492 1025561523 /nfs/dbraw/zinc/56/15/23/1025561523.db2.gz VRLLKIYIHQXDDT-HBFSDRIKSA-N 2 1 344.547 3.833 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000530318993 1025628015 /nfs/dbraw/zinc/62/80/15/1025628015.db2.gz ZNNYODFWZFACTQ-GASCZTMLSA-N 2 1 326.431 3.603 20 0 EHADMP O=C(CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000281889933 1025638131 /nfs/dbraw/zinc/63/81/31/1025638131.db2.gz AVINDURQNSZXQH-GOSISDBHSA-N 2 1 337.467 3.672 20 0 EHADMP C[C@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000657385116 1025746703 /nfs/dbraw/zinc/74/67/03/1025746703.db2.gz YAGGPBNHYXRNPA-QGZVFWFLSA-N 2 1 340.515 3.688 20 0 EHADMP C[C@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000657385116 1025746720 /nfs/dbraw/zinc/74/67/20/1025746720.db2.gz YAGGPBNHYXRNPA-QGZVFWFLSA-N 2 1 340.515 3.688 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3cc4c(cccc4C)[nH]3)CC2)nc(C)[nH+]1 ZINC000657389724 1025820962 /nfs/dbraw/zinc/82/09/62/1025820962.db2.gz ODHJLOJCGPKGQB-UHFFFAOYSA-N 2 1 349.482 3.642 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000475056724 1025868542 /nfs/dbraw/zinc/86/85/42/1025868542.db2.gz MSRLNCWFCMAGKX-QFIPXVFZSA-N 2 1 344.543 3.772 20 0 EHADMP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015938 1025919189 /nfs/dbraw/zinc/91/91/89/1025919189.db2.gz UANLBXVOSCESNY-XEMDLRDOSA-N 2 1 336.483 3.828 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247977445 1124632781 /nfs/dbraw/zinc/63/27/81/1124632781.db2.gz HYGMICORLZXQQQ-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247977445 1124632788 /nfs/dbraw/zinc/63/27/88/1124632788.db2.gz HYGMICORLZXQQQ-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247977445 1124632790 /nfs/dbraw/zinc/63/27/90/1124632790.db2.gz HYGMICORLZXQQQ-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247977445 1124632791 /nfs/dbraw/zinc/63/27/91/1124632791.db2.gz HYGMICORLZXQQQ-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccccc1 ZINC000103229087 1026060730 /nfs/dbraw/zinc/06/07/30/1026060730.db2.gz WZZNHQHXEHEZTK-IBGZPJMESA-N 2 1 343.515 3.603 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192166068 1026114526 /nfs/dbraw/zinc/11/45/26/1026114526.db2.gz FCEXXVGORAVZAY-GFCCVEGCSA-N 2 1 331.685 3.534 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414890451 1026142750 /nfs/dbraw/zinc/14/27/50/1026142750.db2.gz MUNNKTNVEWCNTI-OAQYLSRUSA-N 2 1 346.478 3.675 20 0 EHADMP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000563351942 1026204579 /nfs/dbraw/zinc/20/45/79/1026204579.db2.gz CQIMHZNOZQLMBW-VQTJNVASSA-N 2 1 327.472 3.641 20 0 EHADMP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056681 1026248180 /nfs/dbraw/zinc/24/81/80/1026248180.db2.gz HSQQKHCASZRTIT-KOUHRCEDSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056681 1026248191 /nfs/dbraw/zinc/24/81/91/1026248191.db2.gz HSQQKHCASZRTIT-KOUHRCEDSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056681 1026248200 /nfs/dbraw/zinc/24/82/00/1026248200.db2.gz HSQQKHCASZRTIT-KOUHRCEDSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056681 1026248209 /nfs/dbraw/zinc/24/82/09/1026248209.db2.gz HSQQKHCASZRTIT-KOUHRCEDSA-N 2 1 330.516 3.785 20 0 EHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000154434976 1026282372 /nfs/dbraw/zinc/28/23/72/1026282372.db2.gz MNZQCUHVNIZLRM-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP CO[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059490 1026372475 /nfs/dbraw/zinc/37/24/75/1026372475.db2.gz GABUPBXRZZUARZ-BBTUJRGHSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059490 1026372485 /nfs/dbraw/zinc/37/24/85/1026372485.db2.gz GABUPBXRZZUARZ-BBTUJRGHSA-N 2 1 330.516 3.929 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000159159520 1026503573 /nfs/dbraw/zinc/50/35/73/1026503573.db2.gz KCGRSRGLXYKKTB-LJQANCHMSA-N 2 1 344.499 3.523 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2C(C)(C)O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064206 1026587204 /nfs/dbraw/zinc/58/72/04/1026587204.db2.gz OXMJYENLRRINCQ-HNJRGHQBSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2C(C)(C)O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064206 1026587211 /nfs/dbraw/zinc/58/72/11/1026587211.db2.gz OXMJYENLRRINCQ-HNJRGHQBSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064206 1026587219 /nfs/dbraw/zinc/58/72/19/1026587219.db2.gz OXMJYENLRRINCQ-HNJRGHQBSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064206 1026587228 /nfs/dbraw/zinc/58/72/28/1026587228.db2.gz OXMJYENLRRINCQ-HNJRGHQBSA-N 2 1 330.516 3.663 20 0 EHADMP Cc1cnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000560465771 1026950368 /nfs/dbraw/zinc/95/03/68/1026950368.db2.gz RYDFGQSFVXWOQE-UHFFFAOYSA-N 2 1 329.513 3.984 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000563439899 1026978835 /nfs/dbraw/zinc/97/88/35/1026978835.db2.gz JHJVAVWOVUILJM-UHFFFAOYSA-N 2 1 339.302 3.848 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342770168 1026998028 /nfs/dbraw/zinc/99/80/28/1026998028.db2.gz WOZCRLPSEWUGKO-RDJZCZTQSA-N 2 1 330.520 3.517 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000342770168 1026998032 /nfs/dbraw/zinc/99/80/32/1026998032.db2.gz WOZCRLPSEWUGKO-RDJZCZTQSA-N 2 1 330.520 3.517 20 0 EHADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000302026358 1027027777 /nfs/dbraw/zinc/02/77/77/1027027777.db2.gz IDWLYRNGBNPRME-UHFFFAOYSA-N 2 1 346.478 3.823 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)CCCC2)CC1 ZINC000531719500 1027266667 /nfs/dbraw/zinc/26/66/67/1027266667.db2.gz XGXJBYIAYNLFDQ-MOPGFXCFSA-N 2 1 334.548 3.968 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ncc(-c2ccccc2)n1C ZINC000453078662 1027334036 /nfs/dbraw/zinc/33/40/36/1027334036.db2.gz SAQRSOVYOCPVDM-QGZVFWFLSA-N 2 1 348.494 4.000 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000453116569 1027391938 /nfs/dbraw/zinc/39/19/38/1027391938.db2.gz JIPRGYATYALTRM-OPNNQBFTSA-N 2 1 336.907 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[N@H+]1C ZINC000453116569 1027391953 /nfs/dbraw/zinc/39/19/53/1027391953.db2.gz JIPRGYATYALTRM-OPNNQBFTSA-N 2 1 336.907 3.502 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000377301119 1027425054 /nfs/dbraw/zinc/42/50/54/1027425054.db2.gz YZHBUDCNUTUKIE-HNNXBMFYSA-N 2 1 330.394 3.544 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000377301119 1027425081 /nfs/dbraw/zinc/42/50/81/1027425081.db2.gz YZHBUDCNUTUKIE-HNNXBMFYSA-N 2 1 330.394 3.544 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)[C@H](C)C1 ZINC000453132616 1027438210 /nfs/dbraw/zinc/43/82/10/1027438210.db2.gz WLSGDYVJVJNKIS-XMSQKQJNSA-N 2 1 344.543 3.661 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000420304138 1027453400 /nfs/dbraw/zinc/45/34/00/1027453400.db2.gz KYJYVRGOBKFDOK-CZUORRHYSA-N 2 1 334.410 3.709 20 0 EHADMP CCc1ccccc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420315512 1027464394 /nfs/dbraw/zinc/46/43/94/1027464394.db2.gz RSYHBVBPSRVPBC-SFHVURJKSA-N 2 1 341.524 3.850 20 0 EHADMP CCc1ccccc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420315512 1027464406 /nfs/dbraw/zinc/46/44/06/1027464406.db2.gz RSYHBVBPSRVPBC-SFHVURJKSA-N 2 1 341.524 3.850 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000420319396 1027466730 /nfs/dbraw/zinc/46/67/30/1027466730.db2.gz PLWXYERPTFOQBW-DZGCQCFKSA-N 2 1 334.410 3.709 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000420319396 1027466735 /nfs/dbraw/zinc/46/67/35/1027466735.db2.gz PLWXYERPTFOQBW-DZGCQCFKSA-N 2 1 334.410 3.709 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000420319404 1027466862 /nfs/dbraw/zinc/46/68/62/1027466862.db2.gz PLWXYERPTFOQBW-ZFWWWQNUSA-N 2 1 334.410 3.709 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1 ZINC000420319404 1027466870 /nfs/dbraw/zinc/46/68/70/1027466870.db2.gz PLWXYERPTFOQBW-ZFWWWQNUSA-N 2 1 334.410 3.709 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273512124 1027468492 /nfs/dbraw/zinc/46/84/92/1027468492.db2.gz OQIZAYUVCJNEDN-RTBURBONSA-N 2 1 331.435 3.573 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273512124 1027468506 /nfs/dbraw/zinc/46/85/06/1027468506.db2.gz OQIZAYUVCJNEDN-RTBURBONSA-N 2 1 331.435 3.573 20 0 EHADMP C[C@@H]1CCC[C@H](CC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000420321323 1027469356 /nfs/dbraw/zinc/46/93/56/1027469356.db2.gz ZXFUTCNQEVHYIB-QRVBRYPASA-N 2 1 344.547 3.581 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332650 1027483060 /nfs/dbraw/zinc/48/30/60/1027483060.db2.gz SCMOLQBHZRNBAP-BMFZPTHFSA-N 2 1 337.305 3.832 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000501776416 1027527379 /nfs/dbraw/zinc/52/73/79/1027527379.db2.gz NZYKDMWXQFQXKU-SFHVURJKSA-N 2 1 348.531 3.827 20 0 EHADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000130633189 1027690745 /nfs/dbraw/zinc/69/07/45/1027690745.db2.gz MWQXDPKLWZKWFK-APWZRJJASA-N 2 1 331.504 3.586 20 0 EHADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OCc1cccs1 ZINC000414652988 1027711746 /nfs/dbraw/zinc/71/17/46/1027711746.db2.gz AEAYXPPRHRJPEN-UHFFFAOYSA-N 2 1 348.512 3.752 20 0 EHADMP C[C@@H]1CC[NH+](CCCCC[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000249044601 1027819552 /nfs/dbraw/zinc/81/95/52/1027819552.db2.gz NMWDLSACSKVNMF-IAGOWNOFSA-N 2 1 330.607 3.812 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000414683257 1027857165 /nfs/dbraw/zinc/85/71/65/1027857165.db2.gz ZTSXSCDTDLLQHL-CPUCHLNUSA-N 2 1 337.305 3.974 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000422732444 1027879042 /nfs/dbraw/zinc/87/90/42/1027879042.db2.gz PWBLXEXKTYHDMF-JKSUJKDBSA-N 2 1 340.515 3.629 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422725123 1027890742 /nfs/dbraw/zinc/89/07/42/1027890742.db2.gz XNHHWYVDUNHWMF-CKEIUWERSA-N 2 1 345.453 3.804 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000339064938 1027892616 /nfs/dbraw/zinc/89/26/16/1027892616.db2.gz AMJLPIAQJZGUGU-BVYCBKJFSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000339064938 1027892633 /nfs/dbraw/zinc/89/26/33/1027892633.db2.gz AMJLPIAQJZGUGU-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000339064938 1027892644 /nfs/dbraw/zinc/89/26/44/1027892644.db2.gz AMJLPIAQJZGUGU-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000339064938 1027892659 /nfs/dbraw/zinc/89/26/59/1027892659.db2.gz AMJLPIAQJZGUGU-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000339064938 1027892680 /nfs/dbraw/zinc/89/26/80/1027892680.db2.gz AMJLPIAQJZGUGU-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000339064938 1027892696 /nfs/dbraw/zinc/89/26/96/1027892696.db2.gz AMJLPIAQJZGUGU-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000339064938 1027892709 /nfs/dbraw/zinc/89/27/09/1027892709.db2.gz AMJLPIAQJZGUGU-BVYCBKJFSA-N 2 1 341.543 3.635 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1F ZINC000420981943 1027938800 /nfs/dbraw/zinc/93/88/00/1027938800.db2.gz ZDMQHBYBKBMYNC-QGZVFWFLSA-N 2 1 342.458 3.817 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)CC[NH2+]1 ZINC000666701967 1027940401 /nfs/dbraw/zinc/94/04/01/1027940401.db2.gz QUASHLYMVNZXNE-JKIFEVAISA-N 2 1 337.305 3.974 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422876073 1028005626 /nfs/dbraw/zinc/00/56/26/1028005626.db2.gz FYOLFNCULIFIMT-DBXWQHBBSA-N 3 1 329.532 3.539 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422880487 1028011943 /nfs/dbraw/zinc/01/19/43/1028011943.db2.gz MFNMMMPLLRUJNH-MPQSDHOMSA-N 3 1 329.532 3.526 20 0 EHADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422888883 1028022431 /nfs/dbraw/zinc/02/24/31/1028022431.db2.gz DVKHKBZUAKTFMS-SQGPQFPESA-N 2 1 345.531 3.615 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(C)cc2)cc1 ZINC000422932627 1028061014 /nfs/dbraw/zinc/06/10/14/1028061014.db2.gz GDJBJPYQHZIENL-CZJMCEMMSA-N 2 1 336.479 3.966 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1nccs1 ZINC000414497997 1028068898 /nfs/dbraw/zinc/06/88/98/1028068898.db2.gz VKODEMYJSYVXKV-HNNXBMFYSA-N 2 1 344.528 3.524 20 0 EHADMP Fc1ccccc1C1([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422940626 1028070950 /nfs/dbraw/zinc/07/09/50/1028070950.db2.gz HGLGMEZPBIAPEP-QUCCMNQESA-N 2 1 338.426 3.660 20 0 EHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)s1 ZINC000422941210 1028070998 /nfs/dbraw/zinc/07/09/98/1028070998.db2.gz OIRGWBJDMLVFCH-BXUZGUMPSA-N 2 1 339.302 3.559 20 0 EHADMP CC(C)OC(=O)C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000444607323 1028071949 /nfs/dbraw/zinc/07/19/49/1028071949.db2.gz ILXOQEMNYZKWJP-IBGZPJMESA-N 2 1 332.488 3.535 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422963653 1028075231 /nfs/dbraw/zinc/07/52/31/1028075231.db2.gz GGOBNUPGPPBRII-VGSWGCGISA-N 3 1 337.511 3.645 20 0 EHADMP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422994584 1028111415 /nfs/dbraw/zinc/11/14/15/1028111415.db2.gz VSIYKFGOLVDLTE-ZQYRLJTRSA-N 2 1 342.527 3.634 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000423008825 1028122234 /nfs/dbraw/zinc/12/22/34/1028122234.db2.gz BDZOBEMPOASQOW-HAGHYFMRSA-N 2 1 341.886 3.820 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000423018931 1028128578 /nfs/dbraw/zinc/12/85/78/1028128578.db2.gz SMKVICWDMUEJQN-YDZRNGNQSA-N 2 1 330.378 3.529 20 0 EHADMP Fc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423059408 1028153822 /nfs/dbraw/zinc/15/38/22/1028153822.db2.gz FPGNOPAWGDRXRT-PKOBYXMFSA-N 2 1 346.833 3.825 20 0 EHADMP Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)cc1 ZINC000423089534 1028176470 /nfs/dbraw/zinc/17/64/70/1028176470.db2.gz VIMNLNKUCRRSFK-VGSWGCGISA-N 2 1 346.478 3.992 20 0 EHADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423122979 1028190254 /nfs/dbraw/zinc/19/02/54/1028190254.db2.gz KMLRRZMKIFAVGK-KNXALSJPSA-N 2 1 348.359 3.994 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1F ZINC000423113549 1028204480 /nfs/dbraw/zinc/20/44/80/1028204480.db2.gz ULFPEICWWHRMTO-MDFVCYEDSA-N 2 1 327.241 3.522 20 0 EHADMP Cc1cc(C)c(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c(C)n1 ZINC000455484498 1028250589 /nfs/dbraw/zinc/25/05/89/1028250589.db2.gz JMLCRRFTVWDMOY-UHFFFAOYSA-N 2 1 344.434 3.529 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423212130 1028254642 /nfs/dbraw/zinc/25/46/42/1028254642.db2.gz LPRSLEUYKAFUIX-SMDDNHRTSA-N 2 1 329.271 3.796 20 0 EHADMP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc(C2CC2)c1 ZINC000421324980 1028269741 /nfs/dbraw/zinc/26/97/41/1028269741.db2.gz JBBJKGMCXUSUIR-UHFFFAOYSA-N 2 1 336.479 3.686 20 0 EHADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000414725032 1028297271 /nfs/dbraw/zinc/29/72/71/1028297271.db2.gz UOEATQOFEWUVRF-ZACQAIPSSA-N 2 1 333.545 3.914 20 0 EHADMP CC(C)[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000423244223 1028305851 /nfs/dbraw/zinc/30/58/51/1028305851.db2.gz NMBGEUIUABIFSM-CRAIPNDOSA-N 2 1 325.412 3.520 20 0 EHADMP CC1CC[NH+](CCC[C@H]([NH2+]CC(C)(C)[NH3+])c2ccc(F)cc2)CC1 ZINC000423289528 1028326904 /nfs/dbraw/zinc/32/69/04/1028326904.db2.gz XJTSNZCZALSXCB-IBGZPJMESA-N 3 1 335.511 3.706 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1F ZINC000423293127 1028332544 /nfs/dbraw/zinc/33/25/44/1028332544.db2.gz PUTAGFZNDYIYOM-YVEFUNNKSA-N 2 1 336.838 3.976 20 0 EHADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423307456 1028343385 /nfs/dbraw/zinc/34/33/85/1028343385.db2.gz WDJLJQCXQXNJBS-QMMMGPOBSA-N 2 1 326.284 3.594 20 0 EHADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000423330151 1028367326 /nfs/dbraw/zinc/36/73/26/1028367326.db2.gz LZICQBLTMRYFDR-UQVLAFNGSA-N 2 1 338.442 3.554 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000423330133 1028367842 /nfs/dbraw/zinc/36/78/42/1028367842.db2.gz LZICQBLTMRYFDR-MUDYYLEHSA-N 2 1 338.442 3.554 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC[NH2+]1 ZINC000423368754 1028394026 /nfs/dbraw/zinc/39/40/26/1028394026.db2.gz FMPBYGFIZWVNIF-JTNHKYCSSA-N 2 1 329.271 3.937 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000423395855 1028408239 /nfs/dbraw/zinc/40/82/39/1028408239.db2.gz SYVZYYLYYDLCQW-DVOMOZLQSA-N 2 1 332.879 3.625 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414743394 1028435007 /nfs/dbraw/zinc/43/50/07/1028435007.db2.gz IXGCDWHSMAXPEN-RYRKJORJSA-N 2 1 340.471 3.652 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423457464 1028448175 /nfs/dbraw/zinc/44/81/75/1028448175.db2.gz FTUSZODIUVQETL-CHIMOYNISA-N 2 1 329.307 3.559 20 0 EHADMP CCCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423500390 1028466798 /nfs/dbraw/zinc/46/67/98/1028466798.db2.gz BUYPMWPFAAZEKG-XVAXZDLZSA-N 2 1 329.532 3.724 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2F)s1 ZINC000423530697 1028484643 /nfs/dbraw/zinc/48/46/43/1028484643.db2.gz YWYJERGJTHMFCB-UONOGXRCSA-N 2 1 334.460 3.583 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646542 1028495805 /nfs/dbraw/zinc/49/58/05/1028495805.db2.gz DJMOTXZCKCWMPH-FCHUYYIVSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646542 1028495809 /nfs/dbraw/zinc/49/58/09/1028495809.db2.gz DJMOTXZCKCWMPH-FCHUYYIVSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646542 1028495819 /nfs/dbraw/zinc/49/58/19/1028495819.db2.gz DJMOTXZCKCWMPH-FCHUYYIVSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646542 1028495824 /nfs/dbraw/zinc/49/58/24/1028495824.db2.gz DJMOTXZCKCWMPH-FCHUYYIVSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC001167646542 1028495832 /nfs/dbraw/zinc/49/58/32/1028495832.db2.gz DJMOTXZCKCWMPH-FCHUYYIVSA-N 2 1 341.543 3.589 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SC2CCCC2)cc1 ZINC000423524137 1028497709 /nfs/dbraw/zinc/49/77/09/1028497709.db2.gz SLOLNQIJUHAVER-DOTOQJQBSA-N 2 1 334.529 3.750 20 0 EHADMP Fc1cc(Br)ccc1[C@@H]([NH2+]CCC[NH2+]C1CC1)C1CC1 ZINC000423547231 1028511975 /nfs/dbraw/zinc/51/19/75/1028511975.db2.gz FXXODESIUMTWEO-INIZCTEOSA-N 2 1 341.268 3.771 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000122288748 1028606208 /nfs/dbraw/zinc/60/62/08/1028606208.db2.gz MTBUSQAPMVBSMZ-AWEZNQCLSA-N 2 1 334.410 3.756 20 0 EHADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000414761090 1028607162 /nfs/dbraw/zinc/60/71/62/1028607162.db2.gz RZYSMTUDXDUFFI-OKZBNKHCSA-N 2 1 331.504 3.504 20 0 EHADMP CCN(C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CCCCC1 ZINC000523854334 1028662851 /nfs/dbraw/zinc/66/28/51/1028662851.db2.gz FZWGNRZBVUVGGB-FUHWJXTLSA-N 2 1 339.568 3.512 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414776792 1028859946 /nfs/dbraw/zinc/85/99/46/1028859946.db2.gz HTFBAULNWHMLSC-OALUTQOASA-N 2 1 346.515 3.696 20 0 EHADMP C[NH+](C)C1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000421888018 1028893338 /nfs/dbraw/zinc/89/33/38/1028893338.db2.gz WIZSPQIFFFOMOP-UHFFFAOYSA-N 3 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000248409899 1028894907 /nfs/dbraw/zinc/89/49/07/1028894907.db2.gz XGWPKTBSLCFYLG-XRXFAXGQSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248461604 1028914739 /nfs/dbraw/zinc/91/47/39/1028914739.db2.gz XPYFMKODGGIAFY-KKSFZXQISA-N 2 1 342.458 3.633 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)ccc1F)CC[NH2+]CC2 ZINC000424299902 1028941245 /nfs/dbraw/zinc/94/12/45/1028941245.db2.gz WEFKKERNXGFZKN-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000513762648 1028960088 /nfs/dbraw/zinc/96/00/88/1028960088.db2.gz RUHHKOQSXYNVKG-FDFHNCONSA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000513762648 1028960100 /nfs/dbraw/zinc/96/01/00/1028960100.db2.gz RUHHKOQSXYNVKG-FDFHNCONSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000513762648 1028960117 /nfs/dbraw/zinc/96/01/17/1028960117.db2.gz RUHHKOQSXYNVKG-FDFHNCONSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000513762648 1028960127 /nfs/dbraw/zinc/96/01/27/1028960127.db2.gz RUHHKOQSXYNVKG-FDFHNCONSA-N 2 1 341.543 3.635 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCOC2CCCC2)C3)cc1 ZINC000248996184 1028974176 /nfs/dbraw/zinc/97/41/76/1028974176.db2.gz OYAGHEYKRGCXGM-OWZKRDHZSA-N 2 1 328.500 3.731 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424328249 1028976437 /nfs/dbraw/zinc/97/64/37/1028976437.db2.gz ZNVZVLFWGJWGEU-YJBOKZPZSA-N 2 1 340.496 3.858 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789276 1029079709 /nfs/dbraw/zinc/07/97/09/1029079709.db2.gz YINIJLNWGTWFFQ-ROUUACIJSA-N 2 1 341.524 3.940 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000237375634 1029080899 /nfs/dbraw/zinc/08/08/99/1029080899.db2.gz KUDZNJVKJIRCLQ-LBPRGKRZSA-N 2 1 327.350 3.516 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCc2ccccn2)C3)cc1 ZINC000245713878 1029113731 /nfs/dbraw/zinc/11/37/31/1029113731.db2.gz NROPBVSBQMAZLS-DKUWSORSSA-N 2 1 335.495 3.799 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271759835 1029158292 /nfs/dbraw/zinc/15/82/92/1029158292.db2.gz ZJFMSVDTMDTNCH-SJKOYZFVSA-N 2 1 345.314 3.879 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000162749592 1029384210 /nfs/dbraw/zinc/38/42/10/1029384210.db2.gz WLDROIHVTSEMKV-BXKMTCNYSA-N 2 1 344.524 3.597 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272333968 1029422713 /nfs/dbraw/zinc/42/27/13/1029422713.db2.gz NEQMHZUKXZSCJM-PGRDOPGGSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272333968 1029422729 /nfs/dbraw/zinc/42/27/29/1029422729.db2.gz NEQMHZUKXZSCJM-PGRDOPGGSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333968 1029422741 /nfs/dbraw/zinc/42/27/41/1029422741.db2.gz NEQMHZUKXZSCJM-PGRDOPGGSA-N 2 1 338.495 3.664 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1Cc1ccccc1 ZINC000272333968 1029422751 /nfs/dbraw/zinc/42/27/51/1029422751.db2.gz NEQMHZUKXZSCJM-PGRDOPGGSA-N 2 1 338.495 3.664 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1F ZINC000245888656 1029426394 /nfs/dbraw/zinc/42/63/94/1029426394.db2.gz BYXVJEORHJLFAE-XUVXKRRUSA-N 2 1 334.479 3.634 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261538270 1029448812 /nfs/dbraw/zinc/44/88/12/1029448812.db2.gz VAZJTGLSUWRUGD-NQIIRXRSSA-N 2 1 329.532 3.551 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1cccs1 ZINC000261777915 1029502766 /nfs/dbraw/zinc/50/27/66/1029502766.db2.gz SWVHGBKYDUQDIK-LJQANCHMSA-N 2 1 346.496 3.506 20 0 EHADMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1cccs1 ZINC000261777915 1029502773 /nfs/dbraw/zinc/50/27/73/1029502773.db2.gz SWVHGBKYDUQDIK-LJQANCHMSA-N 2 1 346.496 3.506 20 0 EHADMP Brc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)s1 ZINC000262005253 1029550972 /nfs/dbraw/zinc/55/09/72/1029550972.db2.gz UNZAZMAOIOPZRC-LBPRGKRZSA-N 2 1 329.307 3.647 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669956 1029557972 /nfs/dbraw/zinc/55/79/72/1029557972.db2.gz PDQGERRGBDWZPW-KSEOMHKRSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669956 1029557981 /nfs/dbraw/zinc/55/79/81/1029557981.db2.gz PDQGERRGBDWZPW-KSEOMHKRSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669956 1029557994 /nfs/dbraw/zinc/55/79/94/1029557994.db2.gz PDQGERRGBDWZPW-KSEOMHKRSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669956 1029558005 /nfs/dbraw/zinc/55/80/05/1029558005.db2.gz PDQGERRGBDWZPW-KSEOMHKRSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669956 1029558015 /nfs/dbraw/zinc/55/80/15/1029558015.db2.gz PDQGERRGBDWZPW-KSEOMHKRSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669956 1029558019 /nfs/dbraw/zinc/55/80/19/1029558019.db2.gz PDQGERRGBDWZPW-KSEOMHKRSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669956 1029558030 /nfs/dbraw/zinc/55/80/30/1029558030.db2.gz PDQGERRGBDWZPW-KSEOMHKRSA-N 3 1 343.559 3.607 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCCC[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000729814925 1029567436 /nfs/dbraw/zinc/56/74/36/1029567436.db2.gz KPHIHSRDNMFIDN-UAFMIMERSA-N 2 1 340.552 3.545 20 0 EHADMP NCc1nc(C[N@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)no1 ZINC000262201871 1029579608 /nfs/dbraw/zinc/57/96/08/1029579608.db2.gz KOZRYKWYZMSDKU-DLBZAZTESA-N 2 1 332.492 3.632 20 0 EHADMP NCc1nc(C[N@@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)no1 ZINC000262201871 1029579618 /nfs/dbraw/zinc/57/96/18/1029579618.db2.gz KOZRYKWYZMSDKU-DLBZAZTESA-N 2 1 332.492 3.632 20 0 EHADMP C[C@@H](c1ccco1)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000092483377 1029604651 /nfs/dbraw/zinc/60/46/51/1029604651.db2.gz OWNOFPYLQHRDQC-INIZCTEOSA-N 2 1 328.456 3.946 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000548792202 1029618093 /nfs/dbraw/zinc/61/80/93/1029618093.db2.gz HFDNKODXWRBKIF-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000548792202 1029618094 /nfs/dbraw/zinc/61/80/94/1029618094.db2.gz HFDNKODXWRBKIF-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP c1sc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1-c1ccccc1 ZINC000657750316 1029623864 /nfs/dbraw/zinc/62/38/64/1029623864.db2.gz GTPJXMTXSQPFNN-IBGZPJMESA-N 2 1 342.508 3.758 20 0 EHADMP CC1CC[NH+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000125949717 1029638137 /nfs/dbraw/zinc/63/81/37/1029638137.db2.gz FVYOCCRRNFXDDF-LJQANCHMSA-N 2 1 326.488 3.601 20 0 EHADMP c1cc(C2CCCC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751140 1029638414 /nfs/dbraw/zinc/63/84/14/1029638414.db2.gz GFOFMJPALYJYLZ-OAQYLSRUSA-N 2 1 328.500 3.687 20 0 EHADMP C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691366 1029738644 /nfs/dbraw/zinc/73/86/44/1029738644.db2.gz MTEUMWFWIWNMTF-IFMALSPDSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508691366 1029738650 /nfs/dbraw/zinc/73/86/50/1029738650.db2.gz MTEUMWFWIWNMTF-IFMALSPDSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691366 1029738655 /nfs/dbraw/zinc/73/86/55/1029738655.db2.gz MTEUMWFWIWNMTF-IFMALSPDSA-N 3 1 343.559 3.609 20 0 EHADMP CCCCCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000525195921 1029739678 /nfs/dbraw/zinc/73/96/78/1029739678.db2.gz CFCZLQYQNBBZCT-SJLPKXTDSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000525195921 1029739680 /nfs/dbraw/zinc/73/96/80/1029739680.db2.gz CFCZLQYQNBBZCT-SJLPKXTDSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000525195921 1029739684 /nfs/dbraw/zinc/73/96/84/1029739684.db2.gz CFCZLQYQNBBZCT-SJLPKXTDSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000525195921 1029739690 /nfs/dbraw/zinc/73/96/90/1029739690.db2.gz CFCZLQYQNBBZCT-SJLPKXTDSA-N 2 1 334.504 3.837 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714083 1029775015 /nfs/dbraw/zinc/77/50/15/1029775015.db2.gz GWVBVGSOSXBNOY-DWOCFRCJSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508714083 1029775022 /nfs/dbraw/zinc/77/50/22/1029775022.db2.gz GWVBVGSOSXBNOY-DWOCFRCJSA-N 2 1 343.559 3.607 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1 ZINC000446760236 1029792953 /nfs/dbraw/zinc/79/29/53/1029792953.db2.gz SNSPHSDPJLLVHD-NRFANRHFSA-N 2 1 342.458 3.899 20 0 EHADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000583449047 1029846687 /nfs/dbraw/zinc/84/66/87/1029846687.db2.gz ZKFUJNULHQMIGZ-SNVBAGLBSA-N 2 1 345.315 3.707 20 0 EHADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000525484685 1029865613 /nfs/dbraw/zinc/86/56/13/1029865613.db2.gz KFPLOOFTCCJPEZ-SQNIBIBYSA-N 2 1 343.515 3.872 20 0 EHADMP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000089513197 1029931722 /nfs/dbraw/zinc/93/17/22/1029931722.db2.gz QYELIWWHJQVRJY-ZDUSSCGKSA-N 2 1 339.549 3.554 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635003387 1029938205 /nfs/dbraw/zinc/93/82/05/1029938205.db2.gz CUOCQAUAQRJOCQ-SNXBXODESA-N 3 1 329.532 3.537 20 0 EHADMP Fc1ccc(C[N@@H+](CCC[NH+]2CCCCC2)C2CCOCC2)cc1 ZINC000429716651 1029949322 /nfs/dbraw/zinc/94/93/22/1029949322.db2.gz PMOKGQYQEGIYIS-UHFFFAOYSA-N 2 1 334.479 3.683 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000157679407 1029982798 /nfs/dbraw/zinc/98/27/98/1029982798.db2.gz SLOAYIWMNUCBDW-DUFSDNGMSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000157679407 1029982819 /nfs/dbraw/zinc/98/28/19/1029982819.db2.gz SLOAYIWMNUCBDW-DUFSDNGMSA-N 2 1 337.305 3.767 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707576 1030001231 /nfs/dbraw/zinc/00/12/31/1030001231.db2.gz IWKIAUPPDZNAMP-CYZMBNFOSA-N 2 1 349.327 3.773 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707576 1030001250 /nfs/dbraw/zinc/00/12/50/1030001250.db2.gz IWKIAUPPDZNAMP-CYZMBNFOSA-N 2 1 349.327 3.773 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453323956 1030104241 /nfs/dbraw/zinc/10/42/41/1030104241.db2.gz KFSXCEVDNOIVIR-BHDDXSALSA-N 2 1 335.495 3.923 20 0 EHADMP COc1ccc(OC(F)F)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000120905393 1030145871 /nfs/dbraw/zinc/14/58/71/1030145871.db2.gz GEUSQHODLNRIMB-UHFFFAOYSA-N 2 1 342.430 3.695 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000531967156 1030158224 /nfs/dbraw/zinc/15/82/24/1030158224.db2.gz APJISGKMIKTBBG-SPEDKVCISA-N 2 1 344.543 3.963 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723422 1030209354 /nfs/dbraw/zinc/20/93/54/1030209354.db2.gz NOAXLUJTHCYLPJ-FRRDWIJNSA-N 2 1 349.327 3.916 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723422 1030209367 /nfs/dbraw/zinc/20/93/67/1030209367.db2.gz NOAXLUJTHCYLPJ-FRRDWIJNSA-N 2 1 349.327 3.916 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000453405372 1030213883 /nfs/dbraw/zinc/21/38/83/1030213883.db2.gz QKHJYKBDTOAIGB-QUCCMNQESA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000453405372 1030213904 /nfs/dbraw/zinc/21/39/04/1030213904.db2.gz QKHJYKBDTOAIGB-QUCCMNQESA-N 3 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000453405372 1030213924 /nfs/dbraw/zinc/21/39/24/1030213924.db2.gz QKHJYKBDTOAIGB-QUCCMNQESA-N 3 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405372 1030213937 /nfs/dbraw/zinc/21/39/37/1030213937.db2.gz QKHJYKBDTOAIGB-QUCCMNQESA-N 3 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405372 1030213942 /nfs/dbraw/zinc/21/39/42/1030213942.db2.gz QKHJYKBDTOAIGB-QUCCMNQESA-N 3 1 329.532 3.504 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2ccc(Br)cc21)C1CC1 ZINC000453405860 1030218346 /nfs/dbraw/zinc/21/83/46/1030218346.db2.gz QPQTZLAYGWIVNF-QGZVFWFLSA-N 2 1 337.305 3.900 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1C ZINC000482152191 1030228136 /nfs/dbraw/zinc/22/81/36/1030228136.db2.gz QKPXRUXVWZYCAZ-QUCCMNQESA-N 2 1 345.531 3.732 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)C3CC3)CC2)nc(C)[nH+]1 ZINC000091368026 1030258256 /nfs/dbraw/zinc/25/82/56/1030258256.db2.gz YHYLQMIMTMHIBO-OAQYLSRUSA-N 2 1 336.483 3.803 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657774215 1030261644 /nfs/dbraw/zinc/26/16/44/1030261644.db2.gz XRMGFRDJMGSVNW-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CCO1 ZINC001168142771 1030286025 /nfs/dbraw/zinc/28/60/25/1030286025.db2.gz LZRCVGLPUMMWGK-CTNGQTDRSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583667 1030316547 /nfs/dbraw/zinc/31/65/47/1030316547.db2.gz CCUAZDJZNNKDQD-YMQHIKHWSA-N 2 1 328.500 3.587 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000092165384 1030394086 /nfs/dbraw/zinc/39/40/86/1030394086.db2.gz VIWMHNDFSGJNOX-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000092165384 1030394100 /nfs/dbraw/zinc/39/41/00/1030394100.db2.gz VIWMHNDFSGJNOX-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCCC1 ZINC000526118682 1030434510 /nfs/dbraw/zinc/43/45/10/1030434510.db2.gz NZRQGTLGAVJWNH-UIFIKXQLSA-N 2 1 330.516 3.834 20 0 EHADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCCC1 ZINC000526118682 1030434517 /nfs/dbraw/zinc/43/45/17/1030434517.db2.gz NZRQGTLGAVJWNH-UIFIKXQLSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCC[C@H](C)C3)CC2)oc1C ZINC000092565466 1030479116 /nfs/dbraw/zinc/47/91/16/1030479116.db2.gz AKYWHDYBWSTBHQ-KXBFYZLASA-N 2 1 333.520 3.919 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4c[nH]nc43)C2)CC1 ZINC000092587705 1030488894 /nfs/dbraw/zinc/48/88/94/1030488894.db2.gz VVLJVNRLZZTXGB-KRWDZBQOSA-N 2 1 326.488 3.507 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244459 1030510507 /nfs/dbraw/zinc/51/05/07/1030510507.db2.gz PULZGNRRIXHTEC-IAGOWNOFSA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244459 1030510515 /nfs/dbraw/zinc/51/05/15/1030510515.db2.gz PULZGNRRIXHTEC-IAGOWNOFSA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244459 1030510527 /nfs/dbraw/zinc/51/05/27/1030510527.db2.gz PULZGNRRIXHTEC-IAGOWNOFSA-N 2 1 326.406 3.925 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCCC1 ZINC000643496605 1030515539 /nfs/dbraw/zinc/51/55/39/1030515539.db2.gz FRZCTJJOGONCDM-HNNXBMFYSA-N 2 1 327.394 3.729 20 0 EHADMP Fc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000157452768 1030543468 /nfs/dbraw/zinc/54/34/68/1030543468.db2.gz HGEAOWVZGXKOHS-KRWDZBQOSA-N 2 1 327.447 3.824 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000157452768 1030543474 /nfs/dbraw/zinc/54/34/74/1030543474.db2.gz HGEAOWVZGXKOHS-KRWDZBQOSA-N 2 1 327.447 3.824 20 0 EHADMP CSCC[C@@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093558812 1030627855 /nfs/dbraw/zinc/62/78/55/1030627855.db2.gz RNJFHTDMXAJUEH-QGZVFWFLSA-N 2 1 349.588 3.790 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CNc3ccccc3C2)cc1 ZINC000650751663 1030677744 /nfs/dbraw/zinc/67/77/44/1030677744.db2.gz YOWZCJBCKMRFIQ-HNAYVOBHSA-N 2 1 332.451 3.868 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000157650390 1030731478 /nfs/dbraw/zinc/73/14/78/1030731478.db2.gz NQABCCDJJHALSV-ROUUACIJSA-N 2 1 330.516 3.823 20 0 EHADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C[NH3+])cc3F)oc21 ZINC000650753866 1030731610 /nfs/dbraw/zinc/73/16/10/1030731610.db2.gz WYHYMCJPBQRTSQ-LBPRGKRZSA-N 2 1 328.387 3.890 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157682147 1030744497 /nfs/dbraw/zinc/74/44/97/1030744497.db2.gz JMWROZLYCJWGFP-WMQCIHAUSA-N 2 1 348.531 3.873 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000122969189 1030816160 /nfs/dbraw/zinc/81/61/60/1030816160.db2.gz VQWGMZBZFPMUFB-MRXNPFEDSA-N 2 1 332.488 3.763 20 0 EHADMP c1nc(-c2ccccc2)sc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353715 1030833987 /nfs/dbraw/zinc/83/39/87/1030833987.db2.gz RAZLVMSWQWYHNQ-UHFFFAOYSA-N 2 1 327.497 3.774 20 0 EHADMP CC[NH+](CC)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000172051120 1030867204 /nfs/dbraw/zinc/86/72/04/1030867204.db2.gz VFLRAPWQWQGXOA-UHFFFAOYSA-N 2 1 328.460 3.564 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000551008756 1030885292 /nfs/dbraw/zinc/88/52/92/1030885292.db2.gz NYMDEXJDFRWNQT-NRFANRHFSA-N 2 1 336.479 3.553 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189012 1030891307 /nfs/dbraw/zinc/89/13/07/1030891307.db2.gz VYDGDIOAQOHUHU-KRWDZBQOSA-N 2 1 349.272 3.723 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189012 1030891330 /nfs/dbraw/zinc/89/13/30/1030891330.db2.gz VYDGDIOAQOHUHU-KRWDZBQOSA-N 2 1 349.272 3.723 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189012 1030891348 /nfs/dbraw/zinc/89/13/48/1030891348.db2.gz VYDGDIOAQOHUHU-KRWDZBQOSA-N 2 1 349.272 3.723 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4cc(Br)ccc4o3)C2)C1 ZINC000668189012 1030891357 /nfs/dbraw/zinc/89/13/57/1030891357.db2.gz VYDGDIOAQOHUHU-KRWDZBQOSA-N 2 1 349.272 3.723 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000157876776 1030927858 /nfs/dbraw/zinc/92/78/58/1030927858.db2.gz XJPYVVCLRLFNSX-LJQANCHMSA-N 2 1 329.532 3.900 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c2ccccc21 ZINC000551049813 1030982012 /nfs/dbraw/zinc/98/20/12/1030982012.db2.gz BFJUDMKACNBWGH-SJORKVTESA-N 2 1 344.474 3.866 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000551088735 1031032769 /nfs/dbraw/zinc/03/27/69/1031032769.db2.gz FZKNVYAPVVBZHK-GIVJRHHMSA-N 2 1 341.543 3.580 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000551088735 1031032788 /nfs/dbraw/zinc/03/27/88/1031032788.db2.gz FZKNVYAPVVBZHK-GIVJRHHMSA-N 2 1 341.543 3.580 20 0 EHADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(C(F)(F)F)c1 ZINC000527651524 1031079705 /nfs/dbraw/zinc/07/97/05/1031079705.db2.gz DHCRRGFSLXPWRB-LBPRGKRZSA-N 2 1 341.377 3.645 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CCOCC1 ZINC000527659751 1031084792 /nfs/dbraw/zinc/08/47/92/1031084792.db2.gz MGDNUKRESRDGTF-UXHICEINSA-N 2 1 330.516 3.803 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491904 1031185262 /nfs/dbraw/zinc/18/52/62/1031185262.db2.gz SBDTWICWYQFRKW-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491904 1031185271 /nfs/dbraw/zinc/18/52/71/1031185271.db2.gz SBDTWICWYQFRKW-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491904 1031185284 /nfs/dbraw/zinc/18/52/84/1031185284.db2.gz SBDTWICWYQFRKW-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491904 1031185296 /nfs/dbraw/zinc/18/52/96/1031185296.db2.gz SBDTWICWYQFRKW-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483844872 1031372670 /nfs/dbraw/zinc/37/26/70/1031372670.db2.gz AEDHRZCYCCYDBG-SESVDKBCSA-N 2 1 332.532 3.938 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976256 1031411316 /nfs/dbraw/zinc/41/13/16/1031411316.db2.gz ONSGDEJNGMNYEA-ZIAGYGMSSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976256 1031411319 /nfs/dbraw/zinc/41/13/19/1031411319.db2.gz ONSGDEJNGMNYEA-ZIAGYGMSSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976256 1031411328 /nfs/dbraw/zinc/41/13/28/1031411328.db2.gz ONSGDEJNGMNYEA-ZIAGYGMSSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976256 1031411337 /nfs/dbraw/zinc/41/13/37/1031411337.db2.gz ONSGDEJNGMNYEA-ZIAGYGMSSA-N 2 1 328.859 3.663 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000527923784 1031414987 /nfs/dbraw/zinc/41/49/87/1031414987.db2.gz GHJYTTIXZNBFCW-MYGLTJDJSA-N 2 1 342.527 3.836 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964155 1031417732 /nfs/dbraw/zinc/41/77/32/1031417732.db2.gz JJXFOOZVJHJJMC-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964155 1031417738 /nfs/dbraw/zinc/41/77/38/1031417738.db2.gz JJXFOOZVJHJJMC-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964155 1031417747 /nfs/dbraw/zinc/41/77/47/1031417747.db2.gz JJXFOOZVJHJJMC-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483964155 1031417756 /nfs/dbraw/zinc/41/77/56/1031417756.db2.gz JJXFOOZVJHJJMC-OAHLLOKOSA-N 2 1 340.870 3.522 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484165539 1031482216 /nfs/dbraw/zinc/48/22/16/1031482216.db2.gz SQRQHOLXYAQFTO-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484165539 1031482225 /nfs/dbraw/zinc/48/22/25/1031482225.db2.gz SQRQHOLXYAQFTO-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccncc1 ZINC000527990930 1031548134 /nfs/dbraw/zinc/54/81/34/1031548134.db2.gz SKLCPHUJSXPHRI-BRKWEVRTSA-N 2 1 335.495 3.685 20 0 EHADMP C[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528010992 1031591832 /nfs/dbraw/zinc/59/18/32/1031591832.db2.gz KXJVHSNDMFWKMT-VCOUNFBDSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010992 1031591838 /nfs/dbraw/zinc/59/18/38/1031591838.db2.gz KXJVHSNDMFWKMT-VCOUNFBDSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010992 1031591847 /nfs/dbraw/zinc/59/18/47/1031591847.db2.gz KXJVHSNDMFWKMT-VCOUNFBDSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010992 1031591854 /nfs/dbraw/zinc/59/18/54/1031591854.db2.gz KXJVHSNDMFWKMT-VCOUNFBDSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010992 1031591862 /nfs/dbraw/zinc/59/18/62/1031591862.db2.gz KXJVHSNDMFWKMT-VCOUNFBDSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178248720 1031646212 /nfs/dbraw/zinc/64/62/12/1031646212.db2.gz HEEPISVDGIMZLL-VQIMIIECSA-N 2 1 337.467 3.557 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000179254531 1031762654 /nfs/dbraw/zinc/76/26/54/1031762654.db2.gz DBUHONYKWRWBAD-UHFFFAOYSA-N 2 1 326.488 3.573 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000584140372 1031792925 /nfs/dbraw/zinc/79/29/25/1031792925.db2.gz FYGZIYQESGXLAL-BRWVUGGUSA-N 2 1 334.504 3.516 20 0 EHADMP COc1ccnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000159037171 1031823532 /nfs/dbraw/zinc/82/35/32/1031823532.db2.gz FNHCTXAAEOCAHK-KRWDZBQOSA-N 2 1 331.504 3.567 20 0 EHADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159106155 1031873056 /nfs/dbraw/zinc/87/30/56/1031873056.db2.gz HCVLGISZONTYGY-INIZCTEOSA-N 2 1 336.545 3.950 20 0 EHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000904345713 1031965486 /nfs/dbraw/zinc/96/54/86/1031965486.db2.gz LZXIMPJDBXZHAF-BYCMXARLSA-N 2 1 330.419 3.533 20 0 EHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367612 1031990296 /nfs/dbraw/zinc/99/02/96/1031990296.db2.gz GEUPOFQUOGWRQT-MSEWRSJXSA-N 2 1 346.478 3.708 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657837431 1032038445 /nfs/dbraw/zinc/03/84/45/1032038445.db2.gz FUOLKUKFPYUNDP-XLIONFOSSA-N 2 1 338.499 3.740 20 0 EHADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195134800 1032047780 /nfs/dbraw/zinc/04/77/80/1032047780.db2.gz KDLFUKDSNDMTGC-RDTXWAMCSA-N 2 1 329.513 3.933 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000181953240 1032048824 /nfs/dbraw/zinc/04/88/24/1032048824.db2.gz VZBVQSNOKJWPJZ-BBWFWOEESA-N 2 1 331.504 3.664 20 0 EHADMP Cc1cccc2c1ccnc2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000574568350 1033300305 /nfs/dbraw/zinc/30/03/05/1033300305.db2.gz JWWGMNGJJZCLLB-IBGZPJMESA-N 2 1 347.462 3.722 20 0 EHADMP Cc1cccc2c1cc[nH+]c2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000574568350 1033300315 /nfs/dbraw/zinc/30/03/15/1033300315.db2.gz JWWGMNGJJZCLLB-IBGZPJMESA-N 2 1 347.462 3.722 20 0 EHADMP Cc1cccc2c1cc[nH+]c2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000574568350 1033300323 /nfs/dbraw/zinc/30/03/23/1033300323.db2.gz JWWGMNGJJZCLLB-IBGZPJMESA-N 2 1 347.462 3.722 20 0 EHADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000472337422 1033465909 /nfs/dbraw/zinc/46/59/09/1033465909.db2.gz HZTWQWTWRKRHKH-SFTDATJTSA-N 2 1 340.515 3.636 20 0 EHADMP CC(C)CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001168299865 1033640636 /nfs/dbraw/zinc/64/06/36/1033640636.db2.gz PCLFRVZALCPJMQ-JCYILVPMSA-N 2 1 326.525 3.595 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657919976 1033651776 /nfs/dbraw/zinc/65/17/76/1033651776.db2.gz SPMNKPPRSXGFOJ-QLFBSQMISA-N 2 1 341.446 3.559 20 0 EHADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550612360 1033730318 /nfs/dbraw/zinc/73/03/18/1033730318.db2.gz NDPQMKADISXMGQ-ZRBLBEILSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550612360 1033730333 /nfs/dbraw/zinc/73/03/33/1033730333.db2.gz NDPQMKADISXMGQ-ZRBLBEILSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550612360 1033730350 /nfs/dbraw/zinc/73/03/50/1033730350.db2.gz NDPQMKADISXMGQ-ZRBLBEILSA-N 2 1 349.522 3.686 20 0 EHADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550612358 1033730395 /nfs/dbraw/zinc/73/03/95/1033730395.db2.gz NDPQMKADISXMGQ-VABKMULXSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550612358 1033730408 /nfs/dbraw/zinc/73/04/08/1033730408.db2.gz NDPQMKADISXMGQ-VABKMULXSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550612358 1033730423 /nfs/dbraw/zinc/73/04/23/1033730423.db2.gz NDPQMKADISXMGQ-VABKMULXSA-N 2 1 349.522 3.686 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)c(Cl)c1 ZINC000657983707 1033797152 /nfs/dbraw/zinc/79/71/52/1033797152.db2.gz ZCJARLBOJZSYLT-SNVBAGLBSA-N 2 1 342.668 3.729 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655771309 1033850124 /nfs/dbraw/zinc/85/01/24/1033850124.db2.gz HAYHMWCXWNPAOZ-FCEUIQTBSA-N 2 1 342.527 3.803 20 0 EHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000658065280 1033886485 /nfs/dbraw/zinc/88/64/85/1033886485.db2.gz WIQVDIRHYSCIEZ-WJMWBRGCSA-N 2 1 335.495 3.970 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658123942 1033981042 /nfs/dbraw/zinc/98/10/42/1033981042.db2.gz OCXHREUWUOIGKT-RJGXRXQPSA-N 2 1 349.522 3.823 20 0 EHADMP CC(C)CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658140417 1033987477 /nfs/dbraw/zinc/98/74/77/1033987477.db2.gz UEBMMLFHROQSJL-SFTDATJTSA-N 2 1 330.516 3.558 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1)C1CC1 ZINC000456159109 1034174387 /nfs/dbraw/zinc/17/43/87/1034174387.db2.gz AFYUELWNIDEBLZ-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000658315584 1034191601 /nfs/dbraw/zinc/19/16/01/1034191601.db2.gz NMXCTTOVMAGFOW-DUXKGJEZSA-N 2 1 330.516 3.692 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000658318420 1034193613 /nfs/dbraw/zinc/19/36/13/1034193613.db2.gz PZMQPPCJGGZGTQ-QUCCMNQESA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658361913 1034244266 /nfs/dbraw/zinc/24/42/66/1034244266.db2.gz PLXOPAMPPPZFEV-OSZJIOELSA-N 2 1 338.495 3.609 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329367 1034403932 /nfs/dbraw/zinc/40/39/32/1034403932.db2.gz NOXXCYSXEINTKG-UONOGXRCSA-N 2 1 340.870 3.631 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340252064 1034477429 /nfs/dbraw/zinc/47/74/29/1034477429.db2.gz RYWNUAHQANLQDH-FDFHNCONSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340252064 1034477441 /nfs/dbraw/zinc/47/74/41/1034477441.db2.gz RYWNUAHQANLQDH-FDFHNCONSA-N 2 1 338.495 3.925 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000340254850 1034480898 /nfs/dbraw/zinc/48/08/98/1034480898.db2.gz DCHOACFEUPEOOS-YSTOQKLRSA-N 2 1 328.500 3.759 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C12CCC2 ZINC000340254850 1034480908 /nfs/dbraw/zinc/48/09/08/1034480908.db2.gz DCHOACFEUPEOOS-YSTOQKLRSA-N 2 1 328.500 3.759 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340356114 1034487041 /nfs/dbraw/zinc/48/70/41/1034487041.db2.gz XZZVKYFOBSAHDJ-ZTFGCOKTSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340356114 1034487053 /nfs/dbraw/zinc/48/70/53/1034487053.db2.gz XZZVKYFOBSAHDJ-ZTFGCOKTSA-N 2 1 329.513 3.980 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(C3CC3)o2)C[N@H+]1Cc1ccccc1 ZINC000628230842 1034538708 /nfs/dbraw/zinc/53/87/08/1034538708.db2.gz VXBUJWAHJNGKNQ-WMZOPIPTSA-N 2 1 339.483 3.942 20 0 EHADMP C[C@H](C[NH+]1CC[C@@H](c2ccco2)C1)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000605576707 1034724392 /nfs/dbraw/zinc/72/43/92/1034724392.db2.gz OODSDGGOSKXDSV-NNZMDNLPSA-N 2 1 328.456 3.788 20 0 EHADMP C[C@@H](C[NH+]1CC[C@H](c2ccco2)C1)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000605576707 1034724403 /nfs/dbraw/zinc/72/44/03/1034724403.db2.gz OODSDGGOSKXDSV-NNZMDNLPSA-N 2 1 328.456 3.788 20 0 EHADMP C[C@@H](C[NH+]1CC[C@H](c2ccco2)C1)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000605576707 1034724417 /nfs/dbraw/zinc/72/44/17/1034724417.db2.gz OODSDGGOSKXDSV-NNZMDNLPSA-N 2 1 328.456 3.788 20 0 EHADMP CC(C[NH+]1CC[C@H](c2ccco2)C1)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000605576709 1034724583 /nfs/dbraw/zinc/72/45/83/1034724583.db2.gz OODSDGGOSKXDSV-ROUUACIJSA-N 2 1 328.456 3.788 20 0 EHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000605519896 1034773867 /nfs/dbraw/zinc/77/38/67/1034773867.db2.gz DNFLHORYSMSEJT-FQEVSTJZSA-N 2 1 345.531 3.521 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000121455086 1034957872 /nfs/dbraw/zinc/95/78/72/1034957872.db2.gz CFGGPDFOYARFPD-APWZRJJASA-N 2 1 330.472 3.659 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375964386 1035024906 /nfs/dbraw/zinc/02/49/06/1035024906.db2.gz XABJEXHFPPSNCD-PCCBWWKXSA-N 2 1 330.516 3.693 20 0 EHADMP Cn1cc[nH+]c1C[C@@H]1CCCN(Cc2ccnc(Cl)c2Cl)C1 ZINC000376034119 1035154823 /nfs/dbraw/zinc/15/48/23/1035154823.db2.gz XTSCHNNNKXVFQG-LBPRGKRZSA-N 2 1 339.270 3.577 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C(C)C)c2C1 ZINC001125798907 1035167724 /nfs/dbraw/zinc/16/77/24/1035167724.db2.gz IIXIVYHOGCTYJM-FQEVSTJZSA-N 2 1 343.515 3.860 20 0 EHADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)c2C1 ZINC001125798907 1035167730 /nfs/dbraw/zinc/16/77/30/1035167730.db2.gz IIXIVYHOGCTYJM-FQEVSTJZSA-N 2 1 343.515 3.860 20 0 EHADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)c2C1 ZINC001125798907 1035167733 /nfs/dbraw/zinc/16/77/33/1035167733.db2.gz IIXIVYHOGCTYJM-FQEVSTJZSA-N 2 1 343.515 3.860 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161586391 1035266226 /nfs/dbraw/zinc/26/62/26/1035266226.db2.gz VPBOFUBUWWYAJG-HXUWFJFHSA-N 3 1 335.580 3.839 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161586391 1035266231 /nfs/dbraw/zinc/26/62/31/1035266231.db2.gz VPBOFUBUWWYAJG-HXUWFJFHSA-N 2 1 335.580 3.839 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161586391 1035266235 /nfs/dbraw/zinc/26/62/35/1035266235.db2.gz VPBOFUBUWWYAJG-HXUWFJFHSA-N 2 1 335.580 3.839 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000310279897 1035473228 /nfs/dbraw/zinc/47/32/28/1035473228.db2.gz KRCTVWUGAHREPV-MOPGFXCFSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000761438823 1035612389 /nfs/dbraw/zinc/61/23/89/1035612389.db2.gz YJERBIWLJZDHMO-QKNQBKEWSA-N 2 1 328.500 3.640 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000761438823 1035612392 /nfs/dbraw/zinc/61/23/92/1035612392.db2.gz YJERBIWLJZDHMO-QKNQBKEWSA-N 2 1 328.500 3.640 20 0 EHADMP CSc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000173781646 1035749334 /nfs/dbraw/zinc/74/93/34/1035749334.db2.gz NMNWQISMVRJCHU-KRWDZBQOSA-N 2 1 334.529 3.738 20 0 EHADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000173781646 1035749349 /nfs/dbraw/zinc/74/93/49/1035749349.db2.gz NMNWQISMVRJCHU-KRWDZBQOSA-N 2 1 334.529 3.738 20 0 EHADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000414178550 1035900162 /nfs/dbraw/zinc/90/01/62/1035900162.db2.gz KMKTVLYNSKQQOT-PBHICJAKSA-N 2 1 344.421 3.714 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177090 1035912225 /nfs/dbraw/zinc/91/22/25/1035912225.db2.gz JNKUYDBYHVCYHB-KBPBESRZSA-N 2 1 325.294 3.832 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC000613491295 1036071371 /nfs/dbraw/zinc/07/13/71/1036071371.db2.gz NCSWQAYYFKWIEY-UHFFFAOYSA-N 2 1 334.504 3.518 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(Br)c1Cl ZINC000414214163 1036094680 /nfs/dbraw/zinc/09/46/80/1036094680.db2.gz UXROOUTVPZQEAU-SUNKGSAMSA-N 2 1 345.712 3.921 20 0 EHADMP C[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cccc(Cl)c1 ZINC000470365284 1036109801 /nfs/dbraw/zinc/10/98/01/1036109801.db2.gz YKOYBZUIAZOIIC-MRXNPFEDSA-N 2 1 336.907 3.678 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000414233386 1036198539 /nfs/dbraw/zinc/19/85/39/1036198539.db2.gz IMDDPAKGJPHAOL-OVQGTLEDSA-N 2 1 330.516 3.833 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000414233386 1036198547 /nfs/dbraw/zinc/19/85/47/1036198547.db2.gz IMDDPAKGJPHAOL-OVQGTLEDSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2csc(C(F)(F)F)n2)C1 ZINC000892584517 1036304138 /nfs/dbraw/zinc/30/41/38/1036304138.db2.gz LPWGCGPJUXIKJM-GFCCVEGCSA-N 2 1 335.439 3.764 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2csc(C(F)(F)F)n2)C1 ZINC000892584517 1036304156 /nfs/dbraw/zinc/30/41/56/1036304156.db2.gz LPWGCGPJUXIKJM-GFCCVEGCSA-N 2 1 335.439 3.764 20 0 EHADMP CCC[NH+]1CCC(Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000153415450 1036422121 /nfs/dbraw/zinc/42/21/21/1036422121.db2.gz FZPFZEPFIDOQKX-QZTJIDSGSA-N 2 1 345.531 3.582 20 0 EHADMP Cc1cc(C)cc([C@@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000192794792 1036551411 /nfs/dbraw/zinc/55/14/11/1036551411.db2.gz GEYXURZKAUYWOI-OAQYLSRUSA-N 2 1 343.559 3.509 20 0 EHADMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000535508686 1036571108 /nfs/dbraw/zinc/57/11/08/1036571108.db2.gz RVJKSYVRNWASJZ-AWEZNQCLSA-N 2 1 331.685 3.631 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000541745881 1036597946 /nfs/dbraw/zinc/59/79/46/1036597946.db2.gz CCBRJOPJWIRRCQ-RXVVDRJESA-N 2 1 338.499 3.668 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)CC3CCCCC3)C2)CC1 ZINC000541773983 1036629778 /nfs/dbraw/zinc/62/97/78/1036629778.db2.gz RMQDOHCFQDOZBW-TZIWHRDSSA-N 2 1 335.580 3.693 20 0 EHADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310071073 1036768530 /nfs/dbraw/zinc/76/85/30/1036768530.db2.gz DHRGLZKDSRUCIO-IEBWSBKVSA-N 2 1 326.459 3.868 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000539499590 1036817885 /nfs/dbraw/zinc/81/78/85/1036817885.db2.gz IMRHDHWHFXFZAK-NHCUHLMSSA-N 2 1 342.527 3.897 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000539512937 1036835962 /nfs/dbraw/zinc/83/59/62/1036835962.db2.gz WQWVCLQEBFJBAO-AEFFLSMTSA-N 2 1 334.504 3.692 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000539512937 1036835977 /nfs/dbraw/zinc/83/59/77/1036835977.db2.gz WQWVCLQEBFJBAO-AEFFLSMTSA-N 2 1 334.504 3.692 20 0 EHADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462395844 1036922479 /nfs/dbraw/zinc/92/24/79/1036922479.db2.gz WDWVBSBXEBWTBM-KRWDZBQOSA-N 2 1 342.405 3.550 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C(C)(C)O1 ZINC000311042350 1036947974 /nfs/dbraw/zinc/94/79/74/1036947974.db2.gz FFSBSCVOFYGFHT-NMLBUPMWSA-N 2 1 342.527 3.833 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4COc5ccccc54)[C@H]3C2)cc1 ZINC000311835387 1037046300 /nfs/dbraw/zinc/04/63/00/1037046300.db2.gz PTGNTMFWURDLBQ-LGGPRVQUSA-N 2 1 348.490 3.663 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000590812779 1037084569 /nfs/dbraw/zinc/08/45/69/1037084569.db2.gz YEEGXFLGCGPVDE-HXUWFJFHSA-N 2 1 345.531 3.521 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000590818987 1037088796 /nfs/dbraw/zinc/08/87/96/1037088796.db2.gz PLVVFXDVIXDSOM-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000590818987 1037088806 /nfs/dbraw/zinc/08/88/06/1037088806.db2.gz PLVVFXDVIXDSOM-UHFFFAOYSA-N 2 1 333.501 3.955 20 0 EHADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543443 1037091167 /nfs/dbraw/zinc/09/11/67/1037091167.db2.gz NONWGSNDSMDFJE-HUUCEWRRSA-N 2 1 342.405 3.639 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cscc1Br ZINC000311025855 1037156600 /nfs/dbraw/zinc/15/66/00/1037156600.db2.gz WCKFSVOSHYRCKV-GFCCVEGCSA-N 2 1 331.323 3.865 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818207 1037240783 /nfs/dbraw/zinc/24/07/83/1037240783.db2.gz KENDIMXCZFLEAY-UKRRQHHQSA-N 2 1 330.394 3.747 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818207 1037240799 /nfs/dbraw/zinc/24/07/99/1037240799.db2.gz KENDIMXCZFLEAY-UKRRQHHQSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818207 1037240815 /nfs/dbraw/zinc/24/08/15/1037240815.db2.gz KENDIMXCZFLEAY-UKRRQHHQSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818207 1037240827 /nfs/dbraw/zinc/24/08/27/1037240827.db2.gz KENDIMXCZFLEAY-UKRRQHHQSA-N 2 1 330.394 3.747 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000539899643 1037336601 /nfs/dbraw/zinc/33/66/01/1037336601.db2.gz IKCIEQPJSGDYNA-LEWJYISDSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000539899643 1037336620 /nfs/dbraw/zinc/33/66/20/1037336620.db2.gz IKCIEQPJSGDYNA-LEWJYISDSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000539899643 1037336635 /nfs/dbraw/zinc/33/66/35/1037336635.db2.gz IKCIEQPJSGDYNA-LEWJYISDSA-N 2 1 344.543 3.893 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000532463001 1037373198 /nfs/dbraw/zinc/37/31/98/1037373198.db2.gz GXEONJGKXUHEIG-CKEIUWERSA-N 2 1 328.422 3.956 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)Cc1ccccc1 ZINC000462796669 1037410801 /nfs/dbraw/zinc/41/08/01/1037410801.db2.gz USGKMUWTHCBOQH-QHAWAJNXSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462804287 1037424428 /nfs/dbraw/zinc/42/44/28/1037424428.db2.gz PJNQCTMAAOFXLI-LEWJYISDSA-N 2 1 344.543 3.875 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1sccc1Br ZINC000532475983 1037485750 /nfs/dbraw/zinc/48/57/50/1037485750.db2.gz XMAGLRHNSZCMLA-JTQLQIEISA-N 2 1 328.279 3.756 20 0 EHADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000532531319 1037553608 /nfs/dbraw/zinc/55/36/08/1037553608.db2.gz HPDMMUDYYWUEQF-MLGOLLRUSA-N 2 1 328.378 3.504 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000107371907 1037624000 /nfs/dbraw/zinc/62/40/00/1037624000.db2.gz ANNBDJGDZQHLPF-AVRDEDQJSA-N 2 1 337.511 3.613 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000107371905 1037624703 /nfs/dbraw/zinc/62/47/03/1037624703.db2.gz ANNBDJGDZQHLPF-PGRDOPGGSA-N 2 1 337.511 3.613 20 0 EHADMP C[C@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929798 1037725804 /nfs/dbraw/zinc/72/58/04/1037725804.db2.gz ZTEQVOAYWZPPSH-AYWYSENESA-N 2 1 342.527 3.834 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000573812869 1037756417 /nfs/dbraw/zinc/75/64/17/1037756417.db2.gz BOQUONQMGGNOPE-ZACQAIPSSA-N 2 1 341.524 3.775 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[NH+](CC[C@@H]4CCCC[N@@H+]4C)C3)nc2c1 ZINC000540321934 1037814355 /nfs/dbraw/zinc/81/43/55/1037814355.db2.gz XLFDKLALFAMLOZ-MSOLQXFVSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321934 1037814362 /nfs/dbraw/zinc/81/43/62/1037814362.db2.gz XLFDKLALFAMLOZ-MSOLQXFVSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@@H]4CCCC[NH+]4C)C3)nc2c1 ZINC000540321934 1037814375 /nfs/dbraw/zinc/81/43/75/1037814375.db2.gz XLFDKLALFAMLOZ-MSOLQXFVSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@@H]4CCCC[N@H+]4C)C3)[nH]c2c1 ZINC000540321934 1037814392 /nfs/dbraw/zinc/81/43/92/1037814392.db2.gz XLFDKLALFAMLOZ-MSOLQXFVSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@@H]4CCCC[N@@H+]4C)C3)[nH]c2c1 ZINC000540321934 1037814404 /nfs/dbraw/zinc/81/44/04/1037814404.db2.gz XLFDKLALFAMLOZ-MSOLQXFVSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321934 1037814420 /nfs/dbraw/zinc/81/44/20/1037814420.db2.gz XLFDKLALFAMLOZ-MSOLQXFVSA-N 2 1 340.515 3.925 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@@H]4CCCC[NH+]4C)C3)[nH]c2c1 ZINC000540321934 1037814435 /nfs/dbraw/zinc/81/44/35/1037814435.db2.gz XLFDKLALFAMLOZ-MSOLQXFVSA-N 2 1 340.515 3.925 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463240406 1037925771 /nfs/dbraw/zinc/92/57/71/1037925771.db2.gz PUVCYHJGWUBPRY-RXVVDRJESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463240406 1037925784 /nfs/dbraw/zinc/92/57/84/1037925784.db2.gz PUVCYHJGWUBPRY-RXVVDRJESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183153039 1037932370 /nfs/dbraw/zinc/93/23/70/1037932370.db2.gz RNJJQIUVUBLRAQ-ZIBCJSCZSA-N 2 1 344.543 3.674 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000463247027 1037933120 /nfs/dbraw/zinc/93/31/20/1037933120.db2.gz SWRIYYBLWWDVRG-UXPWSPDFSA-N 2 1 336.479 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000463247027 1037933132 /nfs/dbraw/zinc/93/31/32/1037933132.db2.gz SWRIYYBLWWDVRG-UXPWSPDFSA-N 2 1 336.479 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463273847 1037980150 /nfs/dbraw/zinc/98/01/50/1037980150.db2.gz BHJUSHAMGHJJHZ-UZKOGDIHSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000463273847 1037980166 /nfs/dbraw/zinc/98/01/66/1037980166.db2.gz BHJUSHAMGHJJHZ-UZKOGDIHSA-N 2 1 344.543 3.960 20 0 EHADMP Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000378180714 1038150237 /nfs/dbraw/zinc/15/02/37/1038150237.db2.gz ADPRGPYYSQPLHM-VQIMIIECSA-N 2 1 349.482 3.914 20 0 EHADMP CCOc1cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000124894558 1038250993 /nfs/dbraw/zinc/25/09/93/1038250993.db2.gz HJMKUNWAFREMGG-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000124894558 1038251004 /nfs/dbraw/zinc/25/10/04/1038251004.db2.gz HJMKUNWAFREMGG-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP CCOc1cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000124894558 1038251017 /nfs/dbraw/zinc/25/10/17/1038251017.db2.gz HJMKUNWAFREMGG-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP CCOc1cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000124894558 1038251028 /nfs/dbraw/zinc/25/10/28/1038251028.db2.gz HJMKUNWAFREMGG-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP Cc1nccn1CCCC[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000125528220 1038339040 /nfs/dbraw/zinc/33/90/40/1038339040.db2.gz YOWQUQYWFDGCLE-IBGZPJMESA-N 2 1 340.515 3.568 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000539040397 1038649511 /nfs/dbraw/zinc/64/95/11/1038649511.db2.gz AEOWZIMERWGHBJ-IRLDBZIGSA-N 2 1 346.559 3.881 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379243 1038668582 /nfs/dbraw/zinc/66/85/82/1038668582.db2.gz UIAXTVPGBRKIBX-AWEZNQCLSA-N 2 1 333.863 3.645 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379243 1038668584 /nfs/dbraw/zinc/66/85/84/1038668584.db2.gz UIAXTVPGBRKIBX-AWEZNQCLSA-N 2 1 333.863 3.645 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379243 1038668588 /nfs/dbraw/zinc/66/85/88/1038668588.db2.gz UIAXTVPGBRKIBX-AWEZNQCLSA-N 2 1 333.863 3.645 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379243 1038668590 /nfs/dbraw/zinc/66/85/90/1038668590.db2.gz UIAXTVPGBRKIBX-AWEZNQCLSA-N 2 1 333.863 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149572095 1038670344 /nfs/dbraw/zinc/67/03/44/1038670344.db2.gz LVOYBSOGFKLIPB-VXGBXAGGSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149572095 1038670348 /nfs/dbraw/zinc/67/03/48/1038670348.db2.gz LVOYBSOGFKLIPB-VXGBXAGGSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2N(C)C)CC1 ZINC000539073783 1038671535 /nfs/dbraw/zinc/67/15/35/1038671535.db2.gz APIFIIAHSHZFHP-FXAWDEMLSA-N 2 1 329.532 3.885 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000149637497 1038683431 /nfs/dbraw/zinc/68/34/31/1038683431.db2.gz NUJFACNAQJOYGN-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000149637497 1038683435 /nfs/dbraw/zinc/68/34/35/1038683435.db2.gz NUJFACNAQJOYGN-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CO1 ZINC000660012351 1038707281 /nfs/dbraw/zinc/70/72/81/1038707281.db2.gz SVKGIYAMWYMZOC-SLFFLAALSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000660012351 1038707288 /nfs/dbraw/zinc/70/72/88/1038707288.db2.gz SVKGIYAMWYMZOC-SLFFLAALSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000660012351 1038707297 /nfs/dbraw/zinc/70/72/97/1038707297.db2.gz SVKGIYAMWYMZOC-SLFFLAALSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC[N@@H+]1C ZINC000539217834 1038735732 /nfs/dbraw/zinc/73/57/32/1038735732.db2.gz MTLSWWVIDITVLY-CSMYWGQOSA-N 2 1 337.305 3.973 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC[N@H+]1C ZINC000539217834 1038735735 /nfs/dbraw/zinc/73/57/35/1038735735.db2.gz MTLSWWVIDITVLY-CSMYWGQOSA-N 2 1 337.305 3.973 20 0 EHADMP C[C@@H](NCC(C)(C)[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000479862791 1038839796 /nfs/dbraw/zinc/83/97/96/1038839796.db2.gz SIFKZDGGOTWSCY-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP COC(=O)c1csc([C@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050463 1038918857 /nfs/dbraw/zinc/91/88/57/1038918857.db2.gz GFJCIWDUNDJWFH-ZNMIVQPWSA-N 2 1 338.517 3.553 20 0 EHADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050463 1038918873 /nfs/dbraw/zinc/91/88/73/1038918873.db2.gz GFJCIWDUNDJWFH-ZNMIVQPWSA-N 2 1 338.517 3.553 20 0 EHADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050463 1038918891 /nfs/dbraw/zinc/91/88/91/1038918891.db2.gz GFJCIWDUNDJWFH-ZNMIVQPWSA-N 2 1 338.517 3.553 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000552099000 1038984546 /nfs/dbraw/zinc/98/45/46/1038984546.db2.gz VSDHBHLLLYGYBO-ZBFHGGJFSA-N 2 1 326.406 3.972 20 0 EHADMP CCCOc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000061558265 1039040201 /nfs/dbraw/zinc/04/02/01/1039040201.db2.gz ZJQFKRDSBQQZHN-UHFFFAOYSA-N 2 1 334.504 3.696 20 0 EHADMP COc1cc(F)c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000480041075 1039066097 /nfs/dbraw/zinc/06/60/97/1039066097.db2.gz QNRIWJYUUWGNQN-LBPRGKRZSA-N 2 1 338.467 3.803 20 0 EHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000898483038 1039111202 /nfs/dbraw/zinc/11/12/02/1039111202.db2.gz IJRMTOZYMHJTIO-KYJSFNMBSA-N 2 1 341.455 3.563 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCc5cccnc54)C[C@@H]3C2)cc1 ZINC000898517128 1039185479 /nfs/dbraw/zinc/18/54/79/1039185479.db2.gz JKQYGUSWILZOBN-LNRXMEIDSA-N 2 1 347.506 3.959 20 0 EHADMP FC(F)C1CC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898517973 1039187105 /nfs/dbraw/zinc/18/71/05/1039187105.db2.gz FHGWVSCCUGJXPK-KOTICYHOSA-N 2 1 334.454 3.920 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518443 1039187470 /nfs/dbraw/zinc/18/74/70/1039187470.db2.gz IXBXBAZKCNANBM-OHLDOZIISA-N 2 1 342.527 3.692 20 0 EHADMP FC(F)(F)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000552333857 1039191066 /nfs/dbraw/zinc/19/10/66/1039191066.db2.gz QRHJSIUWASDYBW-UHFFFAOYSA-N 2 1 326.406 3.626 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349713 1039251014 /nfs/dbraw/zinc/25/10/14/1039251014.db2.gz XQXSPWHVEKYKQE-YLJYHZDGSA-N 2 1 344.524 3.937 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349713 1039251027 /nfs/dbraw/zinc/25/10/27/1039251027.db2.gz XQXSPWHVEKYKQE-YLJYHZDGSA-N 2 1 344.524 3.937 20 0 EHADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554372532 1039285870 /nfs/dbraw/zinc/28/58/70/1039285870.db2.gz NNCGPGONIMCPFU-FKSLSLAPSA-N 2 1 334.454 3.920 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000480223740 1039324537 /nfs/dbraw/zinc/32/45/37/1039324537.db2.gz IQSXIJUFCKFEGP-JOCHJYFZSA-N 2 1 336.479 3.721 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000480223740 1039324553 /nfs/dbraw/zinc/32/45/53/1039324553.db2.gz IQSXIJUFCKFEGP-JOCHJYFZSA-N 2 1 336.479 3.721 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488709278 1039349231 /nfs/dbraw/zinc/34/92/31/1039349231.db2.gz BMJZNSHTGOGEAF-CQSZACIVSA-N 2 1 343.446 3.693 20 0 EHADMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000488719283 1039356901 /nfs/dbraw/zinc/35/69/01/1039356901.db2.gz XDCGALYYUXXSAU-KRWDZBQOSA-N 2 1 346.272 3.529 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000488719283 1039356917 /nfs/dbraw/zinc/35/69/17/1039356917.db2.gz XDCGALYYUXXSAU-KRWDZBQOSA-N 2 1 346.272 3.529 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(-c3cnco3)cc2)CC1 ZINC000906527739 1039617636 /nfs/dbraw/zinc/61/76/36/1039617636.db2.gz RPRNKDSWJAIMMR-UHFFFAOYSA-N 2 1 327.472 3.942 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000245969783 1039676252 /nfs/dbraw/zinc/67/62/52/1039676252.db2.gz NUPWLVAKTCBWID-HZPDHXFCSA-N 2 1 326.488 3.801 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000480563910 1039700526 /nfs/dbraw/zinc/70/05/26/1039700526.db2.gz OEULPRFZGXFXCQ-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000480563910 1039700542 /nfs/dbraw/zinc/70/05/42/1039700542.db2.gz OEULPRFZGXFXCQ-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563910 1039700557 /nfs/dbraw/zinc/70/05/57/1039700557.db2.gz OEULPRFZGXFXCQ-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563910 1039700569 /nfs/dbraw/zinc/70/05/69/1039700569.db2.gz OEULPRFZGXFXCQ-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000480614708 1039756893 /nfs/dbraw/zinc/75/68/93/1039756893.db2.gz ODJHKBPFYAOGCG-VMBXEPDQSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480614708 1039756906 /nfs/dbraw/zinc/75/69/06/1039756906.db2.gz ODJHKBPFYAOGCG-VMBXEPDQSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000480614708 1039756920 /nfs/dbraw/zinc/75/69/20/1039756920.db2.gz ODJHKBPFYAOGCG-VMBXEPDQSA-N 2 1 343.559 3.607 20 0 EHADMP Cc1nc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)sc1C ZINC000310396411 1039900133 /nfs/dbraw/zinc/90/01/33/1039900133.db2.gz MBTFLVQMJJWDBF-MOPGFXCFSA-N 2 1 341.524 3.714 20 0 EHADMP COCc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000119584151 1040193783 /nfs/dbraw/zinc/19/37/83/1040193783.db2.gz OPKSTTPVDQOOSX-UHFFFAOYSA-N 2 1 338.495 3.630 20 0 EHADMP C[NH+](Cc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1)[C@H]1CCSC1 ZINC000245934859 1040218719 /nfs/dbraw/zinc/21/87/19/1040218719.db2.gz VKSROKBQCVBRRL-ROUUACIJSA-N 2 1 336.570 3.561 20 0 EHADMP Cc1ccn2c(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cnc2c1 ZINC000479598134 1040413816 /nfs/dbraw/zinc/41/38/16/1040413816.db2.gz CUTCQSHDBFHHOY-UHFFFAOYSA-N 2 1 328.504 3.777 20 0 EHADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419226328 1040447309 /nfs/dbraw/zinc/44/73/09/1040447309.db2.gz ISBJSGXJQIRBNS-FQEVSTJZSA-N 2 1 333.520 3.681 20 0 EHADMP COC1(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000555336922 1040456860 /nfs/dbraw/zinc/45/68/60/1040456860.db2.gz KVIWOZACKHYNTQ-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP C[NH+](C)CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924852159 1040483259 /nfs/dbraw/zinc/48/32/59/1040483259.db2.gz FAVBSKZVZPCWRM-SEJPIABJSA-N 3 1 329.532 3.504 20 0 EHADMP C[NH+](C)CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000924852159 1040483271 /nfs/dbraw/zinc/48/32/71/1040483271.db2.gz FAVBSKZVZPCWRM-SEJPIABJSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1cccs1 ZINC000364258232 1040597238 /nfs/dbraw/zinc/59/72/38/1040597238.db2.gz HIVQXESURCIDED-WMLDXEAASA-N 2 1 328.485 3.767 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)CC3 ZINC000491036099 1040879214 /nfs/dbraw/zinc/87/92/14/1040879214.db2.gz KPZISQDOIGZBOV-MRXNPFEDSA-N 2 1 325.500 3.798 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)CC3 ZINC000491036099 1040879221 /nfs/dbraw/zinc/87/92/21/1040879221.db2.gz KPZISQDOIGZBOV-MRXNPFEDSA-N 2 1 325.500 3.798 20 0 EHADMP CC(C)CCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612587 1040914574 /nfs/dbraw/zinc/91/45/74/1040914574.db2.gz VDPXJHGJACLCBB-NRFANRHFSA-N 2 1 344.543 3.941 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000555617169 1040926427 /nfs/dbraw/zinc/92/64/27/1040926427.db2.gz ORUBNNBONLRTTB-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP CCOC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000555617169 1040926447 /nfs/dbraw/zinc/92/64/47/1040926447.db2.gz ORUBNNBONLRTTB-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP COCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000668811356 1041198820 /nfs/dbraw/zinc/19/88/20/1041198820.db2.gz RWXUGBJNCBOCDC-UHFFFAOYSA-N 2 1 348.506 3.772 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433293536 1041231020 /nfs/dbraw/zinc/23/10/20/1041231020.db2.gz FVBVOWSAZVBCRT-MRXNPFEDSA-N 2 1 348.288 3.519 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433293536 1041231032 /nfs/dbraw/zinc/23/10/32/1041231032.db2.gz FVBVOWSAZVBCRT-MRXNPFEDSA-N 2 1 348.288 3.519 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000571329239 1041267893 /nfs/dbraw/zinc/26/78/93/1041267893.db2.gz ZGELMMGXAGPSSI-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1Br ZINC000571329239 1041267908 /nfs/dbraw/zinc/26/79/08/1041267908.db2.gz ZGELMMGXAGPSSI-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Br ZINC000571329239 1041267923 /nfs/dbraw/zinc/26/79/23/1041267923.db2.gz ZGELMMGXAGPSSI-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Br ZINC000571329239 1041267938 /nfs/dbraw/zinc/26/79/38/1041267938.db2.gz ZGELMMGXAGPSSI-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731680 1041307054 /nfs/dbraw/zinc/30/70/54/1041307054.db2.gz WCBMQXCHEMLMCZ-HRAATJIYSA-N 2 1 336.479 3.718 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000110172704 1041517082 /nfs/dbraw/zinc/51/70/82/1041517082.db2.gz XKAZFYFGIZDJMZ-SFHVURJKSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000110172704 1041517091 /nfs/dbraw/zinc/51/70/91/1041517091.db2.gz XKAZFYFGIZDJMZ-SFHVURJKSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000110172704 1041517099 /nfs/dbraw/zinc/51/70/99/1041517099.db2.gz XKAZFYFGIZDJMZ-SFHVURJKSA-N 2 1 345.531 3.521 20 0 EHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660071 1041758442 /nfs/dbraw/zinc/75/84/42/1041758442.db2.gz TWZJIOQIHQSDLZ-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660071 1041758456 /nfs/dbraw/zinc/75/84/56/1041758456.db2.gz TWZJIOQIHQSDLZ-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660071 1041758461 /nfs/dbraw/zinc/75/84/61/1041758461.db2.gz TWZJIOQIHQSDLZ-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660071 1041758466 /nfs/dbraw/zinc/75/84/66/1041758466.db2.gz TWZJIOQIHQSDLZ-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679653 1041768438 /nfs/dbraw/zinc/76/84/38/1041768438.db2.gz RFGJGFKTKOTCSH-UHFFFAOYSA-N 2 1 347.462 3.695 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)CC1 ZINC000661437288 1042122619 /nfs/dbraw/zinc/12/26/19/1042122619.db2.gz KIPVZQIIHMLUCZ-FQEVSTJZSA-N 2 1 345.531 3.613 20 0 EHADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000652222595 1042279135 /nfs/dbraw/zinc/27/91/35/1042279135.db2.gz SLBWLIZYGOBYSX-KOUNCHBCSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652222595 1042279140 /nfs/dbraw/zinc/27/91/40/1042279140.db2.gz SLBWLIZYGOBYSX-KOUNCHBCSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652222595 1042279144 /nfs/dbraw/zinc/27/91/44/1042279144.db2.gz SLBWLIZYGOBYSX-KOUNCHBCSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000652222595 1042279148 /nfs/dbraw/zinc/27/91/48/1042279148.db2.gz SLBWLIZYGOBYSX-KOUNCHBCSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000652222595 1042279151 /nfs/dbraw/zinc/27/91/51/1042279151.db2.gz SLBWLIZYGOBYSX-KOUNCHBCSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652222595 1042279154 /nfs/dbraw/zinc/27/91/54/1042279154.db2.gz SLBWLIZYGOBYSX-KOUNCHBCSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652222595 1042279159 /nfs/dbraw/zinc/27/91/59/1042279159.db2.gz SLBWLIZYGOBYSX-KOUNCHBCSA-N 3 1 343.559 3.750 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143518988 1042391271 /nfs/dbraw/zinc/39/12/71/1042391271.db2.gz DWWNXQAXZWRNRJ-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143518988 1042391274 /nfs/dbraw/zinc/39/12/74/1042391274.db2.gz DWWNXQAXZWRNRJ-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348574 1042409769 /nfs/dbraw/zinc/40/97/69/1042409769.db2.gz IRQPASUZQXYISI-LZBRWLDZSA-N 2 1 338.442 3.634 20 0 EHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000652352367 1042411961 /nfs/dbraw/zinc/41/19/61/1042411961.db2.gz LKLNCYRSTBMXQR-AVRDEDQJSA-N 2 1 346.478 3.562 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@@H](C)C1 ZINC000245799508 1042502526 /nfs/dbraw/zinc/50/25/26/1042502526.db2.gz XOUOWPQFDQDZPP-KBXCAEBGSA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@@H](C)C1 ZINC000245799508 1042502530 /nfs/dbraw/zinc/50/25/30/1042502530.db2.gz XOUOWPQFDQDZPP-KBXCAEBGSA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@@H](C)C1 ZINC000245799508 1042502533 /nfs/dbraw/zinc/50/25/33/1042502533.db2.gz XOUOWPQFDQDZPP-KBXCAEBGSA-N 2 1 346.906 3.892 20 0 EHADMP c1ccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)cc1 ZINC000662254662 1042638454 /nfs/dbraw/zinc/63/84/54/1042638454.db2.gz RYUCOKJAHQVXIV-NRFANRHFSA-N 2 1 336.479 3.514 20 0 EHADMP c1ccc2c(CC[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nsc2c1 ZINC000662295973 1042666824 /nfs/dbraw/zinc/66/68/24/1042666824.db2.gz XATRBBVXBJAIQE-MRXNPFEDSA-N 2 1 329.513 3.550 20 0 EHADMP CC(C)C[C@H](C)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326889 1042689750 /nfs/dbraw/zinc/68/97/50/1042689750.db2.gz GKLPEYDSHHIZRD-INIZCTEOSA-N 2 1 332.536 3.738 20 0 EHADMP Cc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328076 1042690551 /nfs/dbraw/zinc/69/05/51/1042690551.db2.gz OFJBKIVRHWXWST-UHFFFAOYSA-N 2 1 338.499 3.565 20 0 EHADMP Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000162295301 1042718304 /nfs/dbraw/zinc/71/83/04/1042718304.db2.gz CPNZFTNGRKOLBO-LSDHHAIUSA-N 2 1 333.501 3.804 20 0 EHADMP Fc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471164 1042897430 /nfs/dbraw/zinc/89/74/30/1042897430.db2.gz XBDLQWMRXCWUSR-QFBILLFUSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471164 1042897437 /nfs/dbraw/zinc/89/74/37/1042897437.db2.gz XBDLQWMRXCWUSR-QFBILLFUSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471164 1042897443 /nfs/dbraw/zinc/89/74/43/1042897443.db2.gz XBDLQWMRXCWUSR-QFBILLFUSA-N 2 1 332.463 3.751 20 0 EHADMP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278928253 1042973612 /nfs/dbraw/zinc/97/36/12/1042973612.db2.gz ISXRWBLWKTXATP-UONOGXRCSA-N 2 1 325.412 3.551 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCCO2 ZINC000925787315 1042980710 /nfs/dbraw/zinc/98/07/10/1042980710.db2.gz ZZCLHFDBFKVEQR-WFASDCNBSA-N 2 1 344.833 3.697 20 0 EHADMP Cc1cc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)oc2cc1C ZINC000432354033 1042990865 /nfs/dbraw/zinc/99/08/65/1042990865.db2.gz SDTCZXDCODOYSA-QGZVFWFLSA-N 2 1 330.472 3.640 20 0 EHADMP Cc1cc2cc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)oc2cc1C ZINC000432354033 1042990868 /nfs/dbraw/zinc/99/08/68/1042990868.db2.gz SDTCZXDCODOYSA-QGZVFWFLSA-N 2 1 330.472 3.640 20 0 EHADMP C[C@H]1C[N@@H+](CCCNCc2cccc(Cl)c2Cl)CCCO1 ZINC000432365540 1043002264 /nfs/dbraw/zinc/00/22/64/1043002264.db2.gz VBZABBLWVNCXHO-ZDUSSCGKSA-N 2 1 331.287 3.584 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001167833616 1043006253 /nfs/dbraw/zinc/00/62/53/1043006253.db2.gz CNJJAUKJURFUGT-ILWGZMRPSA-N 2 1 343.559 3.703 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(C)ccc1OC ZINC000432414179 1043132219 /nfs/dbraw/zinc/13/22/19/1043132219.db2.gz QURALRYLOPKTPL-PKOBYXMFSA-N 2 1 334.504 3.545 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(C)ccc1OC ZINC000432414179 1043132224 /nfs/dbraw/zinc/13/22/24/1043132224.db2.gz QURALRYLOPKTPL-PKOBYXMFSA-N 2 1 334.504 3.545 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc12 ZINC000279027718 1043217524 /nfs/dbraw/zinc/21/75/24/1043217524.db2.gz VSQVWLRZVCIMCK-CVEARBPZSA-N 2 1 335.451 3.958 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432447897 1043275322 /nfs/dbraw/zinc/27/53/22/1043275322.db2.gz QTVOJBFZCKRASA-JBACZVJFSA-N 2 1 330.516 3.722 20 0 EHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432447897 1043275326 /nfs/dbraw/zinc/27/53/26/1043275326.db2.gz QTVOJBFZCKRASA-JBACZVJFSA-N 2 1 330.516 3.722 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000162797872 1043785748 /nfs/dbraw/zinc/78/57/48/1043785748.db2.gz CUVIQJQZHXLZOP-QGZVFWFLSA-N 2 1 338.455 3.993 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000162797872 1043785756 /nfs/dbraw/zinc/78/57/56/1043785756.db2.gz CUVIQJQZHXLZOP-QGZVFWFLSA-N 2 1 338.455 3.993 20 0 EHADMP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000344454196 1044019123 /nfs/dbraw/zinc/01/91/23/1044019123.db2.gz HBOQMBHQSVILNY-LAQIPUCWSA-N 2 1 327.472 3.757 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000512196752 1044035453 /nfs/dbraw/zinc/03/54/53/1044035453.db2.gz RCJVZJINANVJNU-LJQANCHMSA-N 2 1 328.500 3.565 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000512196752 1044035466 /nfs/dbraw/zinc/03/54/66/1044035466.db2.gz RCJVZJINANVJNU-LJQANCHMSA-N 2 1 328.500 3.565 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212174 1044163254 /nfs/dbraw/zinc/16/32/54/1044163254.db2.gz KFAJURQCGGRVKO-MOPGFXCFSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212174 1044163259 /nfs/dbraw/zinc/16/32/59/1044163259.db2.gz KFAJURQCGGRVKO-MOPGFXCFSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000512212174 1044163263 /nfs/dbraw/zinc/16/32/63/1044163263.db2.gz KFAJURQCGGRVKO-MOPGFXCFSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000512212174 1044163267 /nfs/dbraw/zinc/16/32/67/1044163267.db2.gz KFAJURQCGGRVKO-MOPGFXCFSA-N 2 1 329.532 3.839 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512213050 1044172438 /nfs/dbraw/zinc/17/24/38/1044172438.db2.gz NLJYQWNUCRTTTG-MSOLQXFVSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512213050 1044172444 /nfs/dbraw/zinc/17/24/44/1044172444.db2.gz NLJYQWNUCRTTTG-MSOLQXFVSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512213050 1044172448 /nfs/dbraw/zinc/17/24/48/1044172448.db2.gz NLJYQWNUCRTTTG-MSOLQXFVSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512213050 1044172455 /nfs/dbraw/zinc/17/24/55/1044172455.db2.gz NLJYQWNUCRTTTG-MSOLQXFVSA-N 2 1 346.563 3.631 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000344664891 1044261015 /nfs/dbraw/zinc/26/10/15/1044261015.db2.gz IZBYVZDABFTJCG-FUHWJXTLSA-N 2 1 325.456 3.755 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344683938 1044286223 /nfs/dbraw/zinc/28/62/23/1044286223.db2.gz PCTSPULXTWSWSN-SMDDNHRTSA-N 2 1 343.334 3.743 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344683938 1044286238 /nfs/dbraw/zinc/28/62/38/1044286238.db2.gz PCTSPULXTWSWSN-SMDDNHRTSA-N 2 1 343.334 3.743 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000112517433 1044610412 /nfs/dbraw/zinc/61/04/12/1044610412.db2.gz VUPFVBPKLFBQMF-OAHLLOKOSA-N 2 1 346.421 3.648 20 0 EHADMP Fc1ccc(-n2nccc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000279771239 1044638193 /nfs/dbraw/zinc/63/81/93/1044638193.db2.gz AIEUHTDTDMTHFD-UHFFFAOYSA-N 2 1 342.462 3.508 20 0 EHADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000261622207 1044721293 /nfs/dbraw/zinc/72/12/93/1044721293.db2.gz GFUJRPVINKORDM-PWRODBHTSA-N 2 1 329.532 3.539 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000154284373 1125708445 /nfs/dbraw/zinc/70/84/45/1125708445.db2.gz FERWWNSVJHGKFE-UHFFFAOYSA-N 2 1 330.394 3.544 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000154284373 1125708449 /nfs/dbraw/zinc/70/84/49/1125708449.db2.gz FERWWNSVJHGKFE-UHFFFAOYSA-N 2 1 330.394 3.544 20 0 EHADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085808 1126873382 /nfs/dbraw/zinc/87/33/82/1126873382.db2.gz GHLDONLGCXHKQD-UHFFFAOYSA-N 2 1 335.451 3.736 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623369829 1126932105 /nfs/dbraw/zinc/93/21/05/1126932105.db2.gz SNEFUDKWWPRMLC-YJBOKZPZSA-N 2 1 331.504 3.634 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623369829 1126932109 /nfs/dbraw/zinc/93/21/09/1126932109.db2.gz SNEFUDKWWPRMLC-YJBOKZPZSA-N 2 1 331.504 3.634 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381803 1126939073 /nfs/dbraw/zinc/93/90/73/1126939073.db2.gz IONDWLQSVYFZGH-RHSMWYFYSA-N 2 1 344.478 3.843 20 0 EHADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000623381803 1126939076 /nfs/dbraw/zinc/93/90/76/1126939076.db2.gz IONDWLQSVYFZGH-RHSMWYFYSA-N 2 1 344.478 3.843 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1(C)C ZINC000623379365 1126940207 /nfs/dbraw/zinc/94/02/07/1126940207.db2.gz LWXJBXHVSAGNHC-WBVHZDCISA-N 2 1 335.923 3.629 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(Br)c2)CC1(C)C ZINC000623411134 1126947309 /nfs/dbraw/zinc/94/73/09/1126947309.db2.gz ULAIDZKLRZULPV-INIZCTEOSA-N 2 1 339.321 3.844 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(OC[C@H]2CCCO2)c1 ZINC000623445447 1126957584 /nfs/dbraw/zinc/95/75/84/1126957584.db2.gz RKYCKXRSSGUJEC-RTBURBONSA-N 2 1 346.515 3.515 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(OC[C@H]2CCCO2)c1 ZINC000623445447 1126957585 /nfs/dbraw/zinc/95/75/85/1126957585.db2.gz RKYCKXRSSGUJEC-RTBURBONSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447050 1126958133 /nfs/dbraw/zinc/95/81/33/1126958133.db2.gz BAJMPDJOSGFFSQ-UKRRQHHQSA-N 2 1 339.321 3.843 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1(C)C ZINC000623509611 1126969416 /nfs/dbraw/zinc/96/94/16/1126969416.db2.gz KOQVVTKFOHYFSX-INIZCTEOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1(C)C ZINC000623509611 1126969420 /nfs/dbraw/zinc/96/94/20/1126969420.db2.gz KOQVVTKFOHYFSX-INIZCTEOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccncc2OCCC(C)(C)C)CC1(C)C ZINC000623525928 1126975967 /nfs/dbraw/zinc/97/59/67/1126975967.db2.gz COHHEBMSYWKGBW-KRWDZBQOSA-N 2 1 333.520 3.859 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000623575262 1126989647 /nfs/dbraw/zinc/98/96/47/1126989647.db2.gz RVXNXPJMSCPKMM-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000623575262 1126989649 /nfs/dbraw/zinc/98/96/49/1126989649.db2.gz RVXNXPJMSCPKMM-CYBMUJFWSA-N 2 1 332.435 3.979 20 0 EHADMP C[N@H+]1CCCC[C@@H](CNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623657156 1127005830 /nfs/dbraw/zinc/00/58/30/1127005830.db2.gz KNNGNLXPYHYITI-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623657156 1127005835 /nfs/dbraw/zinc/00/58/35/1127005835.db2.gz KNNGNLXPYHYITI-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623657156 1127005839 /nfs/dbraw/zinc/00/58/39/1127005839.db2.gz KNNGNLXPYHYITI-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP C[N@H+]1CCCC[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656723 1127007075 /nfs/dbraw/zinc/00/70/75/1127007075.db2.gz AHKMLGYDJAFWGU-SFTDATJTSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656723 1127007079 /nfs/dbraw/zinc/00/70/79/1127007079.db2.gz AHKMLGYDJAFWGU-SFTDATJTSA-N 2 1 341.543 3.505 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656723 1127007084 /nfs/dbraw/zinc/00/70/84/1127007084.db2.gz AHKMLGYDJAFWGU-SFTDATJTSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656723 1127007086 /nfs/dbraw/zinc/00/70/86/1127007086.db2.gz AHKMLGYDJAFWGU-SFTDATJTSA-N 2 1 341.543 3.505 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000623656723 1127007090 /nfs/dbraw/zinc/00/70/90/1127007090.db2.gz AHKMLGYDJAFWGU-SFTDATJTSA-N 2 1 341.543 3.505 20 0 EHADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799363 1127180661 /nfs/dbraw/zinc/18/06/61/1127180661.db2.gz WGQIJFYJLHAMTH-ZACQAIPSSA-N 2 1 343.298 3.633 20 0 EHADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799363 1127180663 /nfs/dbraw/zinc/18/06/63/1127180663.db2.gz WGQIJFYJLHAMTH-ZACQAIPSSA-N 2 1 343.298 3.633 20 0 EHADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000623860836 1127200218 /nfs/dbraw/zinc/20/02/18/1127200218.db2.gz GTEDQALLPPVYCN-ZIAGYGMSSA-N 2 1 337.305 3.892 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(C(C)C)c2)CC1 ZINC000623862426 1127200570 /nfs/dbraw/zinc/20/05/70/1127200570.db2.gz TUAFBABVHDNYCU-LJQANCHMSA-N 2 1 331.548 3.878 20 0 EHADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cc(C)ccc1C ZINC000623889275 1127210849 /nfs/dbraw/zinc/21/08/49/1127210849.db2.gz JBIZXLJJRRLAFP-HXUWFJFHSA-N 2 1 330.516 3.989 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@H]3CC[NH+](C)C(C)(C)C3)c2)C[C@H](C)O1 ZINC000623941520 1127219607 /nfs/dbraw/zinc/21/96/07/1127219607.db2.gz VCVCRQMACXOZJR-QKLQHJQFSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2cccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)c2)C[C@H](C)O1 ZINC000623941520 1127219610 /nfs/dbraw/zinc/21/96/10/1127219610.db2.gz VCVCRQMACXOZJR-QKLQHJQFSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2cccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)c2)C[C@H](C)O1 ZINC000623941520 1127219613 /nfs/dbraw/zinc/21/96/13/1127219613.db2.gz VCVCRQMACXOZJR-QKLQHJQFSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2cc(Cl)ccc2Br)CC[N@H+]1C ZINC000181498967 1127279794 /nfs/dbraw/zinc/27/97/94/1127279794.db2.gz FGOZAPJQTZGQHC-FZMZJTMJSA-N 2 1 345.712 3.717 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000361365374 1127349052 /nfs/dbraw/zinc/34/90/52/1127349052.db2.gz JQDUGUSPXDEEBV-FYZZASKESA-N 2 1 342.527 3.977 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000361365374 1127349056 /nfs/dbraw/zinc/34/90/56/1127349056.db2.gz JQDUGUSPXDEEBV-FYZZASKESA-N 2 1 342.527 3.977 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183130688 1127364331 /nfs/dbraw/zinc/36/43/31/1127364331.db2.gz SSRQCSLNXUQMHK-ILWGZMRPSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183130688 1127364334 /nfs/dbraw/zinc/36/43/34/1127364334.db2.gz SSRQCSLNXUQMHK-ILWGZMRPSA-N 2 1 335.495 3.780 20 0 EHADMP C[C@H]1[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000368490092 1127416269 /nfs/dbraw/zinc/41/62/69/1127416269.db2.gz KGESBSWRIQVOOV-PXNSSMCTSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000368490092 1127416271 /nfs/dbraw/zinc/41/62/71/1127416271.db2.gz KGESBSWRIQVOOV-PXNSSMCTSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1cnn(CCCCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185762369 1127431323 /nfs/dbraw/zinc/43/13/23/1127431323.db2.gz AVDUKIWJQYGMNH-OALUTQOASA-N 2 1 332.536 3.604 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCO2 ZINC000764762111 1127530336 /nfs/dbraw/zinc/53/03/36/1127530336.db2.gz LIZFBSSPVMHULD-QGZVFWFLSA-N 2 1 336.479 3.721 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCO2 ZINC000764762111 1127530339 /nfs/dbraw/zinc/53/03/39/1127530339.db2.gz LIZFBSSPVMHULD-QGZVFWFLSA-N 2 1 336.479 3.721 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383441207 1127543072 /nfs/dbraw/zinc/54/30/72/1127543072.db2.gz DSIAVLYVYPLZQR-CRAIPNDOSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383716635 1127553994 /nfs/dbraw/zinc/55/39/94/1127553994.db2.gz UTPCBNGBJHICDV-ICSRJNTNSA-N 2 1 330.516 3.572 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921528467 1127669855 /nfs/dbraw/zinc/66/98/55/1127669855.db2.gz UWPUBYQYKKISRN-JRGCBEDISA-N 2 1 330.516 3.822 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000921607159 1127760635 /nfs/dbraw/zinc/76/06/35/1127760635.db2.gz MTHWUNHDNUFCKV-UHFFFAOYSA-N 2 1 326.488 3.738 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921625361 1127894270 /nfs/dbraw/zinc/89/42/70/1127894270.db2.gz SJIXQBFJJZHHQM-SFHVURJKSA-N 2 1 325.456 3.695 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccnn3C3CCC3)C2)c1 ZINC000921630111 1127900180 /nfs/dbraw/zinc/90/01/80/1127900180.db2.gz QGUFCTXYHJJSQL-INIZCTEOSA-N 2 1 344.528 3.671 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccnn3C3CCC3)C2)c1 ZINC000921630111 1127900182 /nfs/dbraw/zinc/90/01/82/1127900182.db2.gz QGUFCTXYHJJSQL-INIZCTEOSA-N 2 1 344.528 3.671 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000765760076 1127907419 /nfs/dbraw/zinc/90/74/19/1127907419.db2.gz ZJKKPUUZFKKEDQ-CVEARBPZSA-N 2 1 337.471 3.673 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC[C@H]2CCCCO2)CC3)cc1 ZINC000347541561 1128060347 /nfs/dbraw/zinc/06/03/47/1128060347.db2.gz NTWNPPHZCGQKDN-OAQYLSRUSA-N 2 1 342.527 3.934 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168584870 1128104493 /nfs/dbraw/zinc/10/44/93/1128104493.db2.gz OHQBDZYANYVESD-AZUAARDMSA-N 2 1 334.504 3.627 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168584870 1128104496 /nfs/dbraw/zinc/10/44/96/1128104496.db2.gz OHQBDZYANYVESD-AZUAARDMSA-N 2 1 334.504 3.627 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126659515 1128104628 /nfs/dbraw/zinc/10/46/28/1128104628.db2.gz FSGOVYWGQGBFRN-ZWKOTPCHSA-N 2 1 332.488 3.591 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126659515 1128104631 /nfs/dbraw/zinc/10/46/31/1128104631.db2.gz FSGOVYWGQGBFRN-ZWKOTPCHSA-N 2 1 332.488 3.591 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000060816769 1128113616 /nfs/dbraw/zinc/11/36/16/1128113616.db2.gz AAQUDMOFLWBJLI-UHFFFAOYSA-N 2 1 326.484 3.943 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([NH2+]CCC[N@H+]3CCCC[C@H]3C)CCO2)cc1 ZINC001168591327 1128179576 /nfs/dbraw/zinc/17/95/76/1128179576.db2.gz USBNQUUBTQQJRS-LMNJBCLMSA-N 2 1 346.515 3.769 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765792164 1128369790 /nfs/dbraw/zinc/36/97/90/1128369790.db2.gz OMFSXTKKZCIFPE-RVKKMQEKSA-N 2 1 342.508 3.732 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765792164 1128369793 /nfs/dbraw/zinc/36/97/93/1128369793.db2.gz OMFSXTKKZCIFPE-RVKKMQEKSA-N 2 1 342.508 3.732 20 0 EHADMP COCCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000282275314 1128449593 /nfs/dbraw/zinc/44/95/93/1128449593.db2.gz KSVFIUHMTYYZPO-LJQANCHMSA-N 2 1 333.451 3.868 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000155777585 1128495382 /nfs/dbraw/zinc/49/53/82/1128495382.db2.gz WAEICLQEQXRYHG-MOPGFXCFSA-N 3 1 343.559 3.738 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282306693 1128639299 /nfs/dbraw/zinc/63/92/99/1128639299.db2.gz SAFNHUSGBRYMQC-MRXNPFEDSA-N 2 1 346.544 3.750 20 0 EHADMP C[NH+](C/C=C/C[N@H+](C)C1Cc2ccccc2C1)C1Cc2ccccc2C1 ZINC000619727241 1128755527 /nfs/dbraw/zinc/75/55/27/1128755527.db2.gz NKZPQWQBTXSXFB-BQYQJAHWSA-N 2 1 346.518 3.741 20 0 EHADMP Clc1cccc2c1C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168684828 1128822059 /nfs/dbraw/zinc/82/20/59/1128822059.db2.gz MASFBAWQGVCWNQ-IEBWSBKVSA-N 2 1 340.898 3.919 20 0 EHADMP Clc1cccc2c1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168684833 1128822821 /nfs/dbraw/zinc/82/28/21/1128822821.db2.gz MASFBAWQGVCWNQ-PKOBYXMFSA-N 2 1 340.898 3.919 20 0 EHADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2c(n1)CCCC2 ZINC001648814248 1120046815 /nfs/dbraw/zinc/04/68/15/1120046815.db2.gz JHUWEHPDICASGU-IAGOWNOFSA-N 2 1 329.532 3.726 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC001648907142 1120065315 /nfs/dbraw/zinc/06/53/15/1120065315.db2.gz ZKFQGZJHCFQVNM-WOCWXWTJSA-N 2 1 330.516 3.509 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001648921080 1120200108 /nfs/dbraw/zinc/20/01/08/1120200108.db2.gz OZHGWCWCJBZLIV-DYXWJJEUSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001648921080 1120200111 /nfs/dbraw/zinc/20/01/11/1120200111.db2.gz OZHGWCWCJBZLIV-DYXWJJEUSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168251885 1120276334 /nfs/dbraw/zinc/27/63/34/1120276334.db2.gz UMINRZJOKPCACH-AWEZNQCLSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168251885 1120276338 /nfs/dbraw/zinc/27/63/38/1120276338.db2.gz UMINRZJOKPCACH-AWEZNQCLSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186835651 1120476480 /nfs/dbraw/zinc/47/64/80/1120476480.db2.gz IOHCPEYUWCHODT-SFTDATJTSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000542482738 1120565102 /nfs/dbraw/zinc/56/51/02/1120565102.db2.gz AEMJDNHETCIULM-OPNZPCBVSA-N 2 1 342.527 3.692 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)c2)[C@H](C)C1 ZINC000190004346 1120621062 /nfs/dbraw/zinc/62/10/62/1120621062.db2.gz GTEKMIWNQMJMTG-TZIWHRDSSA-N 2 1 332.532 3.654 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000191386588 1120671422 /nfs/dbraw/zinc/67/14/22/1120671422.db2.gz KVQUFLFGDPDDRR-FQEVSTJZSA-N 2 1 328.500 3.926 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000191386588 1120671423 /nfs/dbraw/zinc/67/14/23/1120671423.db2.gz KVQUFLFGDPDDRR-FQEVSTJZSA-N 2 1 328.500 3.926 20 0 EHADMP Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1C ZINC000191509334 1120676242 /nfs/dbraw/zinc/67/62/42/1120676242.db2.gz OLPKAGXRUCIKHY-JOCHJYFZSA-N 2 1 343.559 3.856 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168472690 1120885020 /nfs/dbraw/zinc/88/50/20/1120885020.db2.gz BQLRJSSTPWKHNI-OZOXKJRCSA-N 2 1 341.474 3.924 20 0 EHADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)nn1 ZINC000929840075 1120930140 /nfs/dbraw/zinc/93/01/40/1120930140.db2.gz BEMUQKQCKKNHQO-KRWDZBQOSA-N 2 1 330.520 3.570 20 0 EHADMP CC(C)[C@H](CNc1cc[nH+]c2ccc(Cl)cc12)[NH+]1CCOCC1 ZINC000303636510 1121167464 /nfs/dbraw/zinc/16/74/64/1121167464.db2.gz ZUKLCGFZKCSQLV-SFHVURJKSA-N 2 1 333.863 3.657 20 0 EHADMP C[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000670265026 1121875399 /nfs/dbraw/zinc/87/53/99/1121875399.db2.gz FJSRUNLQBVOHHR-SFHVURJKSA-N 2 1 337.596 3.797 20 0 EHADMP C[C@@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670265026 1121875408 /nfs/dbraw/zinc/87/54/08/1121875408.db2.gz FJSRUNLQBVOHHR-SFHVURJKSA-N 3 1 337.596 3.797 20 0 EHADMP C[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670265026 1121875418 /nfs/dbraw/zinc/87/54/18/1121875418.db2.gz FJSRUNLQBVOHHR-SFHVURJKSA-N 3 1 337.596 3.797 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000398000679 1121958185 /nfs/dbraw/zinc/95/81/85/1121958185.db2.gz VVHIGDHSNFTVHZ-UYAOXDASSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1c(F)cccc1F ZINC000916839655 1122364731 /nfs/dbraw/zinc/36/47/31/1122364731.db2.gz HPCCUDDOMCJUID-AWEZNQCLSA-N 2 1 334.410 3.756 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)[C@H](C)C1 ZINC000126318415 1122400841 /nfs/dbraw/zinc/40/08/41/1122400841.db2.gz ZUPYSUPLVGHFRC-TZIWHRDSSA-N 2 1 344.543 3.835 20 0 EHADMP C[C@H](CCSc1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126367169 1122403294 /nfs/dbraw/zinc/40/32/94/1122403294.db2.gz FAUZZUHTJZLRBI-GOSISDBHSA-N 2 1 349.588 3.515 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000556052977 1122794412 /nfs/dbraw/zinc/79/44/12/1122794412.db2.gz OUFHUSNGEPOUCA-HKUYNNGSSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000556052977 1122794414 /nfs/dbraw/zinc/79/44/14/1122794414.db2.gz OUFHUSNGEPOUCA-HKUYNNGSSA-N 2 1 328.431 3.759 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000556091038 1122811883 /nfs/dbraw/zinc/81/18/83/1122811883.db2.gz KKIBZUCTNICMDQ-CEXWTWQISA-N 2 1 346.563 3.937 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000556091038 1122811885 /nfs/dbraw/zinc/81/18/85/1122811885.db2.gz KKIBZUCTNICMDQ-CEXWTWQISA-N 2 1 346.563 3.937 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@@H]3C(C)=CCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000152618470 1122847431 /nfs/dbraw/zinc/84/74/31/1122847431.db2.gz JHPNMJYIEALMCG-DNVCBOLYSA-N 2 1 328.504 3.644 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000556585413 1123048252 /nfs/dbraw/zinc/04/82/52/1123048252.db2.gz DXZOMYSPENNKDD-MISYRCLQSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000556585413 1123048256 /nfs/dbraw/zinc/04/82/56/1123048256.db2.gz DXZOMYSPENNKDD-MISYRCLQSA-N 2 1 332.532 3.674 20 0 EHADMP CC[N@H+]1CC[C@H](CNCc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000131232717 1123062652 /nfs/dbraw/zinc/06/26/52/1123062652.db2.gz LVJGJZDVUQOQSS-QGZVFWFLSA-N 2 1 340.515 3.601 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000131232717 1123062657 /nfs/dbraw/zinc/06/26/57/1123062657.db2.gz LVJGJZDVUQOQSS-QGZVFWFLSA-N 2 1 340.515 3.601 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000131232717 1123062663 /nfs/dbraw/zinc/06/26/63/1123062663.db2.gz LVJGJZDVUQOQSS-QGZVFWFLSA-N 2 1 340.515 3.601 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321812 1123219036 /nfs/dbraw/zinc/21/90/36/1123219036.db2.gz SIGGRSMNFFJECA-JTDSTZFVSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321812 1123219040 /nfs/dbraw/zinc/21/90/40/1123219040.db2.gz SIGGRSMNFFJECA-JTDSTZFVSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499139418 1123243637 /nfs/dbraw/zinc/24/36/37/1123243637.db2.gz OYTYEKWIBYODHW-UVUJQTEASA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499139418 1123243639 /nfs/dbraw/zinc/24/36/39/1123243639.db2.gz OYTYEKWIBYODHW-UVUJQTEASA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499139418 1123243643 /nfs/dbraw/zinc/24/36/43/1123243643.db2.gz OYTYEKWIBYODHW-UVUJQTEASA-N 2 1 341.543 3.646 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000453056996 1129144932 /nfs/dbraw/zinc/14/49/32/1129144932.db2.gz DASNQUTYYWWDDD-WOJBJXKFSA-N 2 1 328.500 3.507 20 0 EHADMP CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000245433171 1123826108 /nfs/dbraw/zinc/82/61/08/1123826108.db2.gz PADJJJHFKNVISX-JXFKEZNVSA-N 2 1 330.516 3.977 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000245433171 1123826113 /nfs/dbraw/zinc/82/61/13/1123826113.db2.gz PADJJJHFKNVISX-JXFKEZNVSA-N 2 1 330.516 3.977 20 0 EHADMP CCCCC[C@H]([NH3+])c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001212273457 1123869647 /nfs/dbraw/zinc/86/96/47/1123869647.db2.gz UTXXNDCKIAIDMH-DKGMDFAASA-N 2 1 341.459 3.778 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(F)c2F)[C@@H](C)C1 ZINC000245602155 1123893095 /nfs/dbraw/zinc/89/30/95/1123893095.db2.gz PHQPWZPSJRFLKF-MPGHIAIKSA-N 2 1 340.458 3.752 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246283606 1124076859 /nfs/dbraw/zinc/07/68/59/1124076859.db2.gz BSCCKRNRYWJAAQ-YRGRVCCFSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246283606 1124076860 /nfs/dbraw/zinc/07/68/60/1124076860.db2.gz BSCCKRNRYWJAAQ-YRGRVCCFSA-N 2 1 343.284 3.592 20 0 EHADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000246295042 1124078258 /nfs/dbraw/zinc/07/82/58/1124078258.db2.gz CQQBJKHVVHIXMX-MOPGFXCFSA-N 2 1 348.531 3.730 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847398 1124557839 /nfs/dbraw/zinc/55/78/39/1124557839.db2.gz CKFMTBGBPVIMCC-VDGAXYAQSA-N 2 1 349.950 3.797 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246932043 1124567284 /nfs/dbraw/zinc/56/72/84/1124567284.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246932043 1124567290 /nfs/dbraw/zinc/56/72/90/1124567290.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246932043 1124567298 /nfs/dbraw/zinc/56/72/98/1124567298.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246932043 1124567306 /nfs/dbraw/zinc/56/73/06/1124567306.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246932043 1124567313 /nfs/dbraw/zinc/56/73/13/1124567313.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246932043 1124567318 /nfs/dbraw/zinc/56/73/18/1124567318.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246932043 1124567325 /nfs/dbraw/zinc/56/73/25/1124567325.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246932043 1124567331 /nfs/dbraw/zinc/56/73/31/1124567331.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246932043 1124567334 /nfs/dbraw/zinc/56/73/34/1124567334.db2.gz HEJPDFKAFRXIES-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@@H](C)C1 ZINC000247188395 1124593730 /nfs/dbraw/zinc/59/37/30/1124593730.db2.gz ZTFNJHSVMSPTGB-HNAYVOBHSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@@H](C)C1 ZINC000247188395 1124593736 /nfs/dbraw/zinc/59/37/36/1124593736.db2.gz ZTFNJHSVMSPTGB-HNAYVOBHSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cccc(Br)c2)C1 ZINC000247921357 1124629204 /nfs/dbraw/zinc/62/92/04/1124629204.db2.gz BFXVDKKHAXBAJY-KGLIPLIRSA-N 2 1 325.294 3.784 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000248043601 1124636431 /nfs/dbraw/zinc/63/64/31/1124636431.db2.gz UKBRVKOQKHEFGH-FHWLQOOXSA-N 2 1 349.588 3.841 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000248747045 1124695866 /nfs/dbraw/zinc/69/58/66/1124695866.db2.gz BFABGBPBWHSGRN-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249292691 1124750720 /nfs/dbraw/zinc/75/07/20/1124750720.db2.gz QETUBKAVKGNJSB-FGTMMUONSA-N 2 1 338.442 3.506 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(F)c1 ZINC000092821322 1125164196 /nfs/dbraw/zinc/16/41/96/1125164196.db2.gz KHSZCRYNRJPDBP-UHFFFAOYSA-N 2 1 327.447 3.959 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683353 1125288544 /nfs/dbraw/zinc/28/85/44/1125288544.db2.gz RKLYBXIOYZCVQZ-SFHVURJKSA-N 2 1 338.499 3.693 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683353 1125288546 /nfs/dbraw/zinc/28/85/46/1125288546.db2.gz RKLYBXIOYZCVQZ-SFHVURJKSA-N 2 1 338.499 3.693 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000657311548 1129256516 /nfs/dbraw/zinc/25/65/16/1129256516.db2.gz NJHGDPQKWYRZPH-GOSISDBHSA-N 2 1 340.515 3.815 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000657311548 1129256518 /nfs/dbraw/zinc/25/65/18/1129256518.db2.gz NJHGDPQKWYRZPH-GOSISDBHSA-N 2 1 340.515 3.815 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546379 1129273021 /nfs/dbraw/zinc/27/30/21/1129273021.db2.gz YXGAXGOLLILZKF-KRWDZBQOSA-N 2 1 332.532 3.824 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546379 1129273023 /nfs/dbraw/zinc/27/30/23/1129273023.db2.gz YXGAXGOLLILZKF-KRWDZBQOSA-N 2 1 332.532 3.824 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000922181430 1129304083 /nfs/dbraw/zinc/30/40/83/1129304083.db2.gz QXCMSBSXPZUQHB-KRWDZBQOSA-N 2 1 325.456 3.695 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976322 1129361563 /nfs/dbraw/zinc/36/15/63/1129361563.db2.gz NBCXBSPVWBHUDH-FGZHOGPDSA-N 2 1 344.543 3.877 20 0 EHADMP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765980293 1129423852 /nfs/dbraw/zinc/42/38/52/1129423852.db2.gz ZHRGRGDRAJXRSW-NHCUHLMSSA-N 2 1 330.516 3.933 20 0 EHADMP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cc2cnccc2o1 ZINC000657826050 1129519527 /nfs/dbraw/zinc/51/95/27/1129519527.db2.gz DAHJOROHVMBVHY-INIZCTEOSA-N 2 1 335.451 3.927 20 0 EHADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1cc2cnccc2o1 ZINC000657826050 1129519530 /nfs/dbraw/zinc/51/95/30/1129519530.db2.gz DAHJOROHVMBVHY-INIZCTEOSA-N 2 1 335.451 3.927 20 0 EHADMP CCSc1ccccc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922710549 1129636642 /nfs/dbraw/zinc/63/66/42/1129636642.db2.gz VELFNAWBLJINPH-UHFFFAOYSA-N 2 1 335.542 3.649 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000282381335 1129672597 /nfs/dbraw/zinc/67/25/97/1129672597.db2.gz XACQZSBBCOUJAH-WJMWBRGCSA-N 2 1 330.516 3.834 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000282381335 1129672599 /nfs/dbraw/zinc/67/25/99/1129672599.db2.gz XACQZSBBCOUJAH-WJMWBRGCSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[NH+](CCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625652160 1129969087 /nfs/dbraw/zinc/96/90/87/1129969087.db2.gz BSNLJOFEKVBOJR-VLRMEEEOSA-N 2 1 338.433 3.823 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000675492372 1130412217 /nfs/dbraw/zinc/41/22/17/1130412217.db2.gz UMAVPVYFLLOZIP-JHJVBQTASA-N 2 1 346.359 3.924 20 0 EHADMP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000675492884 1130413284 /nfs/dbraw/zinc/41/32/84/1130413284.db2.gz JAGIXWVANYLZOM-AZUAARDMSA-N 2 1 341.543 3.776 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1 ZINC000675743087 1130467674 /nfs/dbraw/zinc/46/76/74/1130467674.db2.gz IZVPHYWGSSZDQM-UHFFFAOYSA-N 2 1 325.456 3.836 20 0 EHADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675880903 1130500136 /nfs/dbraw/zinc/50/01/36/1130500136.db2.gz IQIPREPRDRMYKP-UWJYYQICSA-N 2 1 346.515 3.769 20 0 EHADMP c1ccc([C@H](CC2CC2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675881132 1130500253 /nfs/dbraw/zinc/50/02/53/1130500253.db2.gz JRTBBBFEGRUTDH-SFTDATJTSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000347935603 1131092890 /nfs/dbraw/zinc/09/28/90/1131092890.db2.gz QARFDXMVTWIQJN-DOMZBBRYSA-N 2 1 346.441 3.587 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000347935603 1131092897 /nfs/dbraw/zinc/09/28/97/1131092897.db2.gz QARFDXMVTWIQJN-DOMZBBRYSA-N 2 1 346.441 3.587 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000348067029 1131147368 /nfs/dbraw/zinc/14/73/68/1131147368.db2.gz CSUHWFXOAMRVSI-KKSFZXQISA-N 2 1 335.451 3.955 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172932788 1131910456 /nfs/dbraw/zinc/91/04/56/1131910456.db2.gz ZBIDCZKGFWFGAD-CADBVGFASA-N 2 1 334.479 3.855 20 0 EHADMP CC[NH+](CC)C1CCC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173109493 1131969046 /nfs/dbraw/zinc/96/90/46/1131969046.db2.gz IVANYYKLOBXYHR-UHFFFAOYSA-N 2 1 347.591 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001173109493 1131969050 /nfs/dbraw/zinc/96/90/50/1131969050.db2.gz IVANYYKLOBXYHR-UHFFFAOYSA-N 3 1 347.591 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173109493 1131969055 /nfs/dbraw/zinc/96/90/55/1131969055.db2.gz IVANYYKLOBXYHR-UHFFFAOYSA-N 3 1 347.591 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)CC1 ZINC001173112625 1131969842 /nfs/dbraw/zinc/96/98/42/1131969842.db2.gz DAOPRYRPQYCOQM-JCYILVPMSA-N 2 1 339.524 3.538 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)CC1 ZINC001173112625 1131969851 /nfs/dbraw/zinc/96/98/51/1131969851.db2.gz DAOPRYRPQYCOQM-JCYILVPMSA-N 2 1 339.524 3.538 20 0 EHADMP CC[C@@H]1[N@H+](C2CCC([NH+](CC)CC)CC2)CCC[C@]12CCC(=O)N2C ZINC001173110243 1131970475 /nfs/dbraw/zinc/97/04/75/1131970475.db2.gz ISWFEVSLRNXHFY-XSNSTOHYSA-N 2 1 349.563 3.505 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC001173111413 1131970724 /nfs/dbraw/zinc/97/07/24/1131970724.db2.gz FKCNUGOUCHTLIL-UHFFFAOYSA-N 2 1 345.531 3.716 20 0 EHADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846773 1131984263 /nfs/dbraw/zinc/98/42/63/1131984263.db2.gz YGVGYGWDHMETIB-FPOVZHCZSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846773 1131984266 /nfs/dbraw/zinc/98/42/66/1131984266.db2.gz YGVGYGWDHMETIB-FPOVZHCZSA-N 2 1 330.516 3.616 20 0 EHADMP C(C1CCOCC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173343218 1132056136 /nfs/dbraw/zinc/05/61/36/1132056136.db2.gz HDWWEBXUKYQBRC-WOJBJXKFSA-N 2 1 334.548 3.970 20 0 EHADMP C(C1CCOCC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173343218 1132056145 /nfs/dbraw/zinc/05/61/45/1132056145.db2.gz HDWWEBXUKYQBRC-WOJBJXKFSA-N 2 1 334.548 3.970 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001173783186 1132147146 /nfs/dbraw/zinc/14/71/46/1132147146.db2.gz SYTIRJMFHVGFEC-PGYGNJIDSA-N 2 1 344.499 3.570 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001169093090 1132652182 /nfs/dbraw/zinc/65/21/82/1132652182.db2.gz FLQATVANHAGZLY-YFKTTZPYSA-N 2 1 329.307 3.786 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001169093090 1132652186 /nfs/dbraw/zinc/65/21/86/1132652186.db2.gz FLQATVANHAGZLY-YFKTTZPYSA-N 2 1 329.307 3.786 20 0 EHADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(F)(F)F ZINC001169120191 1132663195 /nfs/dbraw/zinc/66/31/95/1132663195.db2.gz ZGWBUAFIBXBXLS-QDMKHBRRSA-N 2 1 342.405 3.819 20 0 EHADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001169120191 1132663201 /nfs/dbraw/zinc/66/32/01/1132663201.db2.gz ZGWBUAFIBXBXLS-QDMKHBRRSA-N 2 1 342.405 3.819 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC001175444834 1132672006 /nfs/dbraw/zinc/67/20/06/1132672006.db2.gz OXCZPDZOJLNDPD-VQTJNVASSA-N 2 1 330.541 3.857 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169160671 1132683088 /nfs/dbraw/zinc/68/30/88/1132683088.db2.gz KFWWOJYOXMZEAS-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160671 1132683093 /nfs/dbraw/zinc/68/30/93/1132683093.db2.gz KFWWOJYOXMZEAS-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160671 1132683099 /nfs/dbraw/zinc/68/30/99/1132683099.db2.gz KFWWOJYOXMZEAS-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]c(=O)c2ccccc12 ZINC001169227324 1132702674 /nfs/dbraw/zinc/70/26/74/1132702674.db2.gz ZSZMXWQQPHUZRX-UHFFFAOYSA-N 2 1 338.455 3.612 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]c(=O)c2ccccc12 ZINC001169227324 1132702679 /nfs/dbraw/zinc/70/26/79/1132702679.db2.gz ZSZMXWQQPHUZRX-UHFFFAOYSA-N 2 1 338.455 3.612 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(Cc3cccnc3)CCC(F)(F)CC2)CC1 ZINC001169241028 1132707074 /nfs/dbraw/zinc/70/70/74/1132707074.db2.gz PFUCLGYXWKSFGN-UHFFFAOYSA-N 2 1 337.458 3.646 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001169240482 1132708024 /nfs/dbraw/zinc/70/80/24/1132708024.db2.gz JIAIBAJHRFODLO-FQEVSTJZSA-N 2 1 334.479 3.757 20 0 EHADMP Cc1ccnc(CCNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)c1 ZINC001169318345 1132721283 /nfs/dbraw/zinc/72/12/83/1132721283.db2.gz PESLPVNAZXHQSS-IBGZPJMESA-N 2 1 349.482 3.709 20 0 EHADMP CC(C)Sc1cc(Br)ccc1C[NH2+]CCC[NH+](C)C ZINC001177082121 1133024365 /nfs/dbraw/zinc/02/43/65/1133024365.db2.gz YDNYJSMLMFQHPZ-UHFFFAOYSA-N 2 1 345.350 3.991 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873286 1133065972 /nfs/dbraw/zinc/06/59/72/1133065972.db2.gz BQXUDEVHPHLUAL-NVXWUHKLSA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873286 1133065977 /nfs/dbraw/zinc/06/59/77/1133065977.db2.gz BQXUDEVHPHLUAL-NVXWUHKLSA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873286 1133065980 /nfs/dbraw/zinc/06/59/80/1133065980.db2.gz BQXUDEVHPHLUAL-NVXWUHKLSA-N 2 1 326.406 3.979 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001177865568 1133105581 /nfs/dbraw/zinc/10/55/81/1133105581.db2.gz YLBAQVSIMFHUDY-FSSWDIPSSA-N 2 1 344.543 3.929 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn3ccccc23)[C@@H]1c1cccs1 ZINC001177918652 1133112768 /nfs/dbraw/zinc/11/27/68/1133112768.db2.gz BBRDHPXVRVZVAD-HNAYVOBHSA-N 2 1 340.496 3.569 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn3ccccc23)[C@@H]1c1cccs1 ZINC001177918652 1133112772 /nfs/dbraw/zinc/11/27/72/1133112772.db2.gz BBRDHPXVRVZVAD-HNAYVOBHSA-N 2 1 340.496 3.569 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001178285894 1133153009 /nfs/dbraw/zinc/15/30/09/1133153009.db2.gz VIKVKMLWPDBSHI-KSEOMHKRSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001178285894 1133153012 /nfs/dbraw/zinc/15/30/12/1133153012.db2.gz VIKVKMLWPDBSHI-KSEOMHKRSA-N 2 1 335.495 3.780 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC001179437223 1133250633 /nfs/dbraw/zinc/25/06/33/1133250633.db2.gz CNYJHKNYRXOGNV-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001180310303 1133354893 /nfs/dbraw/zinc/35/48/93/1133354893.db2.gz CPQJNVUWCVCWJN-RXVVDRJESA-N 2 1 332.532 3.948 20 0 EHADMP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(C)c1Br ZINC001181235312 1133473307 /nfs/dbraw/zinc/47/33/07/1133473307.db2.gz UQWOLVBWVFYSCQ-UHFFFAOYSA-N 2 1 339.321 3.984 20 0 EHADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1Br ZINC001181235312 1133473311 /nfs/dbraw/zinc/47/33/11/1133473311.db2.gz UQWOLVBWVFYSCQ-UHFFFAOYSA-N 2 1 339.321 3.984 20 0 EHADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001181555177 1133500521 /nfs/dbraw/zinc/50/05/21/1133500521.db2.gz JHHBXLQAEDKWFI-UHFFFAOYSA-N 2 1 348.437 3.927 20 0 EHADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001181555177 1133500524 /nfs/dbraw/zinc/50/05/24/1133500524.db2.gz JHHBXLQAEDKWFI-UHFFFAOYSA-N 2 1 348.437 3.927 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1)CC1CC1 ZINC000771475598 1133559624 /nfs/dbraw/zinc/55/96/24/1133559624.db2.gz LUTSHQSJQXMOTN-QFIPXVFZSA-N 2 1 344.543 3.862 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC1CC1 ZINC000771474678 1133559977 /nfs/dbraw/zinc/55/99/77/1133559977.db2.gz BVNZXMISHTVPGC-NRFANRHFSA-N 2 1 330.516 3.554 20 0 EHADMP C[C@H]1CC[C@H](NCC[NH+]2CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC001182310330 1133626496 /nfs/dbraw/zinc/62/64/96/1133626496.db2.gz XNZXMNSCAGXRQL-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1CC[C@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001182310330 1133626500 /nfs/dbraw/zinc/62/65/00/1133626500.db2.gz XNZXMNSCAGXRQL-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310330 1133626503 /nfs/dbraw/zinc/62/65/03/1133626503.db2.gz XNZXMNSCAGXRQL-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1CC[C@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310330 1133626506 /nfs/dbraw/zinc/62/65/06/1133626506.db2.gz XNZXMNSCAGXRQL-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000774736006 1133917987 /nfs/dbraw/zinc/91/79/87/1133917987.db2.gz KHGIMKHPCZLOSO-UHFFFAOYSA-N 2 1 349.434 3.995 20 0 EHADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)CC1 ZINC000788487515 1134130951 /nfs/dbraw/zinc/13/09/51/1134130951.db2.gz IKEVUBCKVXLGMG-IBGZPJMESA-N 2 1 344.524 3.626 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001170180910 1134700035 /nfs/dbraw/zinc/70/00/35/1134700035.db2.gz DGTWTVCWSNJQPI-FIEVGXRPSA-N 2 1 348.490 3.521 20 0 EHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190892 1134702835 /nfs/dbraw/zinc/70/28/35/1134702835.db2.gz GIFDGMPGNKIPNK-UAFMIMERSA-N 2 1 334.479 3.855 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001170214928 1134708336 /nfs/dbraw/zinc/70/83/36/1134708336.db2.gz VVCQNWCLRRFVFC-NSHGMRRFSA-N 2 1 346.515 3.914 20 0 EHADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001190627807 1134728638 /nfs/dbraw/zinc/72/86/38/1134728638.db2.gz NLWSKLDEKIPQCT-FQEVSTJZSA-N 2 1 340.511 3.720 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001190627807 1134728642 /nfs/dbraw/zinc/72/86/42/1134728642.db2.gz NLWSKLDEKIPQCT-FQEVSTJZSA-N 2 1 340.511 3.720 20 0 EHADMP CO[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC001170413067 1134773516 /nfs/dbraw/zinc/77/35/16/1134773516.db2.gz VOLVKUJEUMSJNT-KNQAVFIVSA-N 2 1 344.543 3.688 20 0 EHADMP O=C(OC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC000793326071 1134904949 /nfs/dbraw/zinc/90/49/49/1134904949.db2.gz ULKCGWIJYNWKBT-HXUWFJFHSA-N 2 1 349.434 3.546 20 0 EHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001205570172 1134904902 /nfs/dbraw/zinc/90/49/02/1134904902.db2.gz GVJIGZFAQJDWBI-CQSZACIVSA-N 2 1 340.311 3.637 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C)cc1Br ZINC001205591164 1134992642 /nfs/dbraw/zinc/99/26/42/1134992642.db2.gz FXSQWTSNAHFQNI-INIZCTEOSA-N 2 1 343.284 3.719 20 0 EHADMP CN(CC[N@@H+](C)CC1CCC(C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001192964278 1135084234 /nfs/dbraw/zinc/08/42/34/1135084234.db2.gz IFPNPSFGBSPSJH-UHFFFAOYSA-N 2 1 337.596 3.797 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205629474 1135133985 /nfs/dbraw/zinc/13/39/85/1135133985.db2.gz ZBOXEEIIIVTHJN-YPMHNXCESA-N 2 1 345.712 3.909 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205629233 1135134039 /nfs/dbraw/zinc/13/40/39/1135134039.db2.gz YRZUKOPHOMMDPB-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205629233 1135134044 /nfs/dbraw/zinc/13/40/44/1135134044.db2.gz YRZUKOPHOMMDPB-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C12CCC2 ZINC001194385620 1135262894 /nfs/dbraw/zinc/26/28/94/1135262894.db2.gz ROFLUBCXVYQZAS-MOPGFXCFSA-N 2 1 325.456 3.570 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000808722888 1135722753 /nfs/dbraw/zinc/72/27/53/1135722753.db2.gz GXNKGOXPNVSTJZ-LNRXMEIDSA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000808722888 1135722756 /nfs/dbraw/zinc/72/27/56/1135722756.db2.gz GXNKGOXPNVSTJZ-LNRXMEIDSA-N 2 1 336.479 3.678 20 0 EHADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)c2cccs2)CC1 ZINC001198968876 1135870116 /nfs/dbraw/zinc/87/01/16/1135870116.db2.gz KHAMTGXSLWVCMD-MSOLQXFVSA-N 2 1 349.588 3.843 20 0 EHADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1OC ZINC000809738737 1135883108 /nfs/dbraw/zinc/88/31/08/1135883108.db2.gz HBRHGVFSRQBQRC-UHFFFAOYSA-N 2 1 342.483 3.706 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@H](C)C3)cc2)C1 ZINC001199320670 1135897318 /nfs/dbraw/zinc/89/73/18/1135897318.db2.gz PJZMHWLIVAVMAE-IIMDRIAPSA-N 2 1 330.516 3.822 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC001199414232 1135904892 /nfs/dbraw/zinc/90/48/92/1135904892.db2.gz VQUZVORRZBVDMB-MRXNPFEDSA-N 2 1 346.515 3.837 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)CCc2ccccc2)CC1 ZINC001200970957 1135969909 /nfs/dbraw/zinc/96/99/09/1135969909.db2.gz GCHDZAWYPUTJQQ-LJQANCHMSA-N 2 1 332.532 3.734 20 0 EHADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201543200 1136034647 /nfs/dbraw/zinc/03/46/47/1136034647.db2.gz DBNGFJKUZVPBMB-QIJUGHKUSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201543200 1136034650 /nfs/dbraw/zinc/03/46/50/1136034650.db2.gz DBNGFJKUZVPBMB-QIJUGHKUSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201543200 1136034654 /nfs/dbraw/zinc/03/46/54/1136034654.db2.gz DBNGFJKUZVPBMB-QIJUGHKUSA-N 2 1 348.575 3.883 20 0 EHADMP CCCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201746707 1136058316 /nfs/dbraw/zinc/05/83/16/1136058316.db2.gz OGZLWZQQVMNRPK-HXUWFJFHSA-N 2 1 345.531 3.717 20 0 EHADMP [NH3+]C1CCC(N(c2cccn3cc[nH+]c23)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170645334 1136145498 /nfs/dbraw/zinc/14/54/98/1136145498.db2.gz CSFQKNVYYUZGHC-KWOGNLBTSA-N 2 1 346.478 3.967 20 0 EHADMP CCc1cc(NCc2cccnc2-n2cc[nH+]c2C)c2ccccc2[nH+]1 ZINC000811825190 1136146481 /nfs/dbraw/zinc/14/64/81/1136146481.db2.gz FDKAWQCIIZYBKX-UHFFFAOYSA-N 2 1 343.434 3.720 20 0 EHADMP CC(C)([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000812845073 1136258786 /nfs/dbraw/zinc/25/87/86/1136258786.db2.gz SUQKAHILSCMGCT-UHFFFAOYSA-N 2 1 348.506 3.627 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2SCCS2)CC1 ZINC000850559584 1136285734 /nfs/dbraw/zinc/28/57/34/1136285734.db2.gz FDNBLVZIKUDDLR-UHFFFAOYSA-N 2 1 336.570 3.825 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@@H]1C ZINC000338948500 1136467481 /nfs/dbraw/zinc/46/74/81/1136467481.db2.gz NLLYDOKKMMKEKI-FXAWDEMLSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@@H]1C ZINC000338948500 1136467482 /nfs/dbraw/zinc/46/74/82/1136467482.db2.gz NLLYDOKKMMKEKI-FXAWDEMLSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@@H]1C ZINC000338948500 1136467484 /nfs/dbraw/zinc/46/74/84/1136467484.db2.gz NLLYDOKKMMKEKI-FXAWDEMLSA-N 2 1 340.515 3.700 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@H]1C ZINC000338950150 1136478339 /nfs/dbraw/zinc/47/83/39/1136478339.db2.gz WKQRZDRTYATHIT-MJGOQNOKSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@H]1C ZINC000338950150 1136478340 /nfs/dbraw/zinc/47/83/40/1136478340.db2.gz WKQRZDRTYATHIT-MJGOQNOKSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@H]1C ZINC000338950150 1136478343 /nfs/dbraw/zinc/47/83/43/1136478343.db2.gz WKQRZDRTYATHIT-MJGOQNOKSA-N 2 1 340.515 3.700 20 0 EHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCCOCC2)CC3)c1 ZINC001170811378 1136670630 /nfs/dbraw/zinc/67/06/30/1136670630.db2.gz LBCIPLWBNQEOGJ-QGZVFWFLSA-N 2 1 334.529 3.605 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C)CC(C)C)C2)ccn1 ZINC000856551241 1136794378 /nfs/dbraw/zinc/79/43/78/1136794378.db2.gz NRGKPGXPDSVMEG-PXNSSMCTSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)ccn1 ZINC000856551241 1136794382 /nfs/dbraw/zinc/79/43/82/1136794382.db2.gz NRGKPGXPDSVMEG-PXNSSMCTSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)ccn1 ZINC000856551241 1136794384 /nfs/dbraw/zinc/79/43/84/1136794384.db2.gz NRGKPGXPDSVMEG-PXNSSMCTSA-N 2 1 333.520 3.669 20 0 EHADMP ClC1(Cl)C[C@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000856805343 1136812984 /nfs/dbraw/zinc/81/29/84/1136812984.db2.gz NGJPZTGYQMQCRU-MRXNPFEDSA-N 2 1 341.326 3.867 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000817896985 1136844084 /nfs/dbraw/zinc/84/40/84/1136844084.db2.gz AWJHFQMJXCDSSC-PCCBWWKXSA-N 3 1 333.564 3.541 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000817905514 1136845039 /nfs/dbraw/zinc/84/50/39/1136845039.db2.gz JJLNBEWDSGTUCM-BZUAXINKSA-N 2 1 337.250 3.761 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000817947126 1136850414 /nfs/dbraw/zinc/85/04/14/1136850414.db2.gz KXNLUZZUONXAMC-JENIJYKNSA-N 2 1 347.547 3.576 20 0 EHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817958449 1136851678 /nfs/dbraw/zinc/85/16/78/1136851678.db2.gz JTOXUTBGJBTJPW-DNVCBOLYSA-N 2 1 345.487 3.592 20 0 EHADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000818339900 1136871856 /nfs/dbraw/zinc/87/18/56/1136871856.db2.gz FXCABCIWUWMLPF-DLBZAZTESA-N 2 1 343.515 3.603 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000818962632 1136891752 /nfs/dbraw/zinc/89/17/52/1136891752.db2.gz VACPOYWRJYCXDS-OAQYLSRUSA-N 2 1 326.484 3.658 20 0 EHADMP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819042620 1136901558 /nfs/dbraw/zinc/90/15/58/1136901558.db2.gz KKIBJPDMEMQZPO-KRWDZBQOSA-N 2 1 345.314 3.881 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819078553 1136911434 /nfs/dbraw/zinc/91/14/34/1136911434.db2.gz JQDBCPVDTACUEL-IIBYNOLFSA-N 2 1 342.458 3.674 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000339009968 1136928179 /nfs/dbraw/zinc/92/81/79/1136928179.db2.gz MESJCSNFTPBSIN-IBGZPJMESA-N 2 1 347.547 3.700 20 0 EHADMP c1cc(O[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)ncc1C1CC1 ZINC000858022972 1136932991 /nfs/dbraw/zinc/93/29/91/1136932991.db2.gz CZJKMPOYUZPZIO-FQEVSTJZSA-N 2 1 343.515 3.678 20 0 EHADMP c1cc(O[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)ncc1C1CC1 ZINC000858022972 1136932994 /nfs/dbraw/zinc/93/29/94/1136932994.db2.gz CZJKMPOYUZPZIO-FQEVSTJZSA-N 2 1 343.515 3.678 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2F)CC1(C)C ZINC000858131783 1136942452 /nfs/dbraw/zinc/94/24/52/1136942452.db2.gz IHGHRKPJRHZWDO-AWEZNQCLSA-N 2 1 343.284 3.593 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1(C)C ZINC000858165321 1136945679 /nfs/dbraw/zinc/94/56/79/1136945679.db2.gz RPBPTEJQQNEHGM-QHAWAJNXSA-N 2 1 338.495 3.924 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1(C)C ZINC000858165321 1136945682 /nfs/dbraw/zinc/94/56/82/1136945682.db2.gz RPBPTEJQQNEHGM-QHAWAJNXSA-N 2 1 338.495 3.924 20 0 EHADMP Cn1nc(-c2ccccc2)c(CNC[C@@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245858 1136951955 /nfs/dbraw/zinc/95/19/55/1136951955.db2.gz QFHASXIHNTYIBL-HNNXBMFYSA-N 2 1 346.906 3.562 20 0 EHADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1Cl ZINC000858245858 1136951956 /nfs/dbraw/zinc/95/19/56/1136951956.db2.gz QFHASXIHNTYIBL-HNNXBMFYSA-N 2 1 346.906 3.562 20 0 EHADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245858 1136951957 /nfs/dbraw/zinc/95/19/57/1136951957.db2.gz QFHASXIHNTYIBL-HNNXBMFYSA-N 2 1 346.906 3.562 20 0 EHADMP CC(=O)C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939417 1136964600 /nfs/dbraw/zinc/96/46/00/1136964600.db2.gz VAFBMGRANNSAKQ-NRFANRHFSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccns1 ZINC000858576510 1136980235 /nfs/dbraw/zinc/98/02/35/1136980235.db2.gz LUUVOKFQPQQROY-LEUOFYLZSA-N 2 1 327.497 3.989 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccns1 ZINC000858576510 1136980237 /nfs/dbraw/zinc/98/02/37/1136980237.db2.gz LUUVOKFQPQQROY-LEUOFYLZSA-N 2 1 327.497 3.989 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000859214950 1137008169 /nfs/dbraw/zinc/00/81/69/1137008169.db2.gz RUENTBXSACIEHJ-LJQANCHMSA-N 2 1 332.875 3.567 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170968293 1137032878 /nfs/dbraw/zinc/03/28/78/1137032878.db2.gz CODNODDXGHJSJY-VQIMIIECSA-N 2 1 326.459 3.780 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1cc(F)ccc1F ZINC000859995339 1137040001 /nfs/dbraw/zinc/04/00/01/1137040001.db2.gz PLUHLEASODEKQV-HXUWFJFHSA-N 2 1 348.437 3.582 20 0 EHADMP C[C@]1(C[NH2+]Cc2cc3cccnc3o2)CC[N@H+](Cc2ccccc2)C1 ZINC000824332397 1137132958 /nfs/dbraw/zinc/13/29/58/1137132958.db2.gz KFFCBCQNEROMDX-OAQYLSRUSA-N 2 1 335.451 3.830 20 0 EHADMP C[C@]1(C[NH2+]Cc2cc3cccnc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332397 1137132960 /nfs/dbraw/zinc/13/29/60/1137132960.db2.gz KFFCBCQNEROMDX-OAQYLSRUSA-N 2 1 335.451 3.830 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnn(CC3CC[NH2+]CC3)c2)c1 ZINC000863689848 1137199493 /nfs/dbraw/zinc/19/94/93/1137199493.db2.gz HAXXTRBQLRIACV-KRWDZBQOSA-N 2 1 338.499 3.534 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000844222172 1137203239 /nfs/dbraw/zinc/20/32/39/1137203239.db2.gz YUBZMEUYFYUZAQ-PZJWPPBQSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000844222172 1137203241 /nfs/dbraw/zinc/20/32/41/1137203241.db2.gz YUBZMEUYFYUZAQ-PZJWPPBQSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000844222172 1137203242 /nfs/dbraw/zinc/20/32/42/1137203242.db2.gz YUBZMEUYFYUZAQ-PZJWPPBQSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222172 1137203244 /nfs/dbraw/zinc/20/32/44/1137203244.db2.gz YUBZMEUYFYUZAQ-PZJWPPBQSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222172 1137203245 /nfs/dbraw/zinc/20/32/45/1137203245.db2.gz YUBZMEUYFYUZAQ-PZJWPPBQSA-N 3 1 331.548 3.881 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000339070544 1137241702 /nfs/dbraw/zinc/24/17/02/1137241702.db2.gz ZOFMRJXIEZNXPW-HXUWFJFHSA-N 2 1 328.500 3.607 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149710 1137249188 /nfs/dbraw/zinc/24/91/88/1137249188.db2.gz LZYNMXBDBAACAP-WHCBVINPSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149710 1137249190 /nfs/dbraw/zinc/24/91/90/1137249190.db2.gz LZYNMXBDBAACAP-WHCBVINPSA-N 2 1 327.299 3.781 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186159 1137250940 /nfs/dbraw/zinc/25/09/40/1137250940.db2.gz QUQZXFJLLWPMDJ-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186159 1137250942 /nfs/dbraw/zinc/25/09/42/1137250942.db2.gz QUQZXFJLLWPMDJ-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1cc2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186159 1137250944 /nfs/dbraw/zinc/25/09/44/1137250944.db2.gz QUQZXFJLLWPMDJ-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1cc2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186159 1137250946 /nfs/dbraw/zinc/25/09/46/1137250946.db2.gz QUQZXFJLLWPMDJ-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(C4CC4)cn3)c2)CC1 ZINC000865450681 1137285058 /nfs/dbraw/zinc/28/50/58/1137285058.db2.gz SLJDMKZWGQALAF-UHFFFAOYSA-N 2 1 338.499 3.740 20 0 EHADMP CC[N@@H+](CCCNCc1cc2c(cc[nH]c2=O)o1)C1CCCCC1 ZINC000865615568 1137299076 /nfs/dbraw/zinc/29/90/76/1137299076.db2.gz AWPQFVSYDIPPFP-UHFFFAOYSA-N 2 1 331.460 3.668 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000865661628 1137302531 /nfs/dbraw/zinc/30/25/31/1137302531.db2.gz VOAHIHOLTDJNQK-CWJKEVGVSA-N 2 1 330.516 3.549 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1(C)C ZINC000865834037 1137315229 /nfs/dbraw/zinc/31/52/29/1137315229.db2.gz FHXOKCPQODHRHN-PQEBFOHHSA-N 2 1 349.316 3.550 20 0 EHADMP C[N@H+](Cc1ncn2ccccc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001144624252 1137317633 /nfs/dbraw/zinc/31/76/33/1137317633.db2.gz BDDJHUPWGFXZIQ-UHFFFAOYSA-N 2 1 348.494 3.678 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000866256633 1137340044 /nfs/dbraw/zinc/34/00/44/1137340044.db2.gz AUKXCIYYBSBITK-UGKGYDQZSA-N 2 1 337.511 3.557 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866563549 1137364869 /nfs/dbraw/zinc/36/48/69/1137364869.db2.gz NHXXIXAOGWLPPH-GREBRCKQSA-N 2 1 349.522 3.673 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000716619390 1137487587 /nfs/dbraw/zinc/48/75/87/1137487587.db2.gz CTMUZJGJDNRXSQ-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619390 1137487588 /nfs/dbraw/zinc/48/75/88/1137487588.db2.gz CTMUZJGJDNRXSQ-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619390 1137487589 /nfs/dbraw/zinc/48/75/89/1137487589.db2.gz CTMUZJGJDNRXSQ-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619390 1137487590 /nfs/dbraw/zinc/48/75/90/1137487590.db2.gz CTMUZJGJDNRXSQ-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619390 1137487591 /nfs/dbraw/zinc/48/75/91/1137487591.db2.gz CTMUZJGJDNRXSQ-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716712759 1137488490 /nfs/dbraw/zinc/48/84/90/1137488490.db2.gz NGHPZMYWMHVVSF-MUGJNUQGSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)c1nnc2ccc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cn21 ZINC001171627552 1137501648 /nfs/dbraw/zinc/50/16/48/1137501648.db2.gz WJVXZKZSCVRKGX-UHFFFAOYSA-N 2 1 343.519 3.594 20 0 EHADMP C[C@@H]1C[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001171725438 1137506199 /nfs/dbraw/zinc/50/61/99/1137506199.db2.gz LXKOCEIEJUSKHZ-VQIMIIECSA-N 2 1 329.532 3.630 20 0 EHADMP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725735 1137506325 /nfs/dbraw/zinc/50/63/25/1137506325.db2.gz BUFRPDMJLBODPG-FXAWDEMLSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746425 1137508099 /nfs/dbraw/zinc/50/80/99/1137508099.db2.gz NLTHGHNOOGMFCN-DENIHFKCSA-N 2 1 341.543 3.600 20 0 EHADMP CCC(CC)[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171733994 1137510292 /nfs/dbraw/zinc/51/02/92/1137510292.db2.gz LBDSRGHAQHXNQL-GHTZIAJQSA-N 2 1 343.559 3.892 20 0 EHADMP CCC(CC)[NH+]1CCC([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171733994 1137510293 /nfs/dbraw/zinc/51/02/93/1137510293.db2.gz LBDSRGHAQHXNQL-GHTZIAJQSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962189 1137519718 /nfs/dbraw/zinc/51/97/18/1137519718.db2.gz BUHZPGLDYBMPIC-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP CCOC(=O)C1(C)CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001171946187 1137522190 /nfs/dbraw/zinc/52/21/90/1137522190.db2.gz ZQCUPZAWMCULET-USZBZKHASA-N 2 1 338.536 3.726 20 0 EHADMP CC1(C)C[C@H](NCc2[nH+]cn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC001171980108 1137526457 /nfs/dbraw/zinc/52/64/57/1137526457.db2.gz PAIONBSIUMIGAK-LJQANCHMSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@H](NCc2[nH+]cn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC001171980108 1137526458 /nfs/dbraw/zinc/52/64/58/1137526458.db2.gz PAIONBSIUMIGAK-LJQANCHMSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC3(C2)CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171983781 1137527302 /nfs/dbraw/zinc/52/73/02/1137527302.db2.gz GQNLMOQCISRPPL-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171987815 1137527893 /nfs/dbraw/zinc/52/78/93/1137527893.db2.gz KDRBBNUGNLQIBU-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987815 1137527895 /nfs/dbraw/zinc/52/78/95/1137527895.db2.gz KDRBBNUGNLQIBU-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987815 1137527896 /nfs/dbraw/zinc/52/78/96/1137527896.db2.gz KDRBBNUGNLQIBU-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987815 1137527898 /nfs/dbraw/zinc/52/78/98/1137527898.db2.gz KDRBBNUGNLQIBU-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074010 1137529937 /nfs/dbraw/zinc/52/99/37/1137529937.db2.gz SOYSMPKYDYQYFR-NGCWXFERSA-N 2 1 341.543 3.774 20 0 EHADMP C[N@H+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074010 1137529938 /nfs/dbraw/zinc/52/99/38/1137529938.db2.gz SOYSMPKYDYQYFR-NGCWXFERSA-N 3 1 341.543 3.774 20 0 EHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074010 1137529940 /nfs/dbraw/zinc/52/99/40/1137529940.db2.gz SOYSMPKYDYQYFR-NGCWXFERSA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074010 1137529941 /nfs/dbraw/zinc/52/99/41/1137529941.db2.gz SOYSMPKYDYQYFR-NGCWXFERSA-N 3 1 341.543 3.774 20 0 EHADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074010 1137529943 /nfs/dbraw/zinc/52/99/43/1137529943.db2.gz SOYSMPKYDYQYFR-NGCWXFERSA-N 3 1 341.543 3.774 20 0 EHADMP CC[NH+](CC)CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076596 1137530738 /nfs/dbraw/zinc/53/07/38/1137530738.db2.gz GENQHRXSWDZQKD-KOUNCHBCSA-N 2 1 343.559 3.846 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001172099347 1137532590 /nfs/dbraw/zinc/53/25/90/1137532590.db2.gz JMEZCUUNCGFRQT-ZSOGYDGISA-N 2 1 341.268 3.693 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069729 1137534851 /nfs/dbraw/zinc/53/48/51/1137534851.db2.gz UCWCWPAHGOOGPF-PLSULTGPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069729 1137534852 /nfs/dbraw/zinc/53/48/52/1137534852.db2.gz UCWCWPAHGOOGPF-PLSULTGPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069729 1137534853 /nfs/dbraw/zinc/53/48/53/1137534853.db2.gz UCWCWPAHGOOGPF-PLSULTGPSA-N 2 1 341.543 3.597 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001172101858 1137536333 /nfs/dbraw/zinc/53/63/33/1137536333.db2.gz CGAMEVDHUJGPTI-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001172101858 1137536334 /nfs/dbraw/zinc/53/63/34/1137536334.db2.gz CGAMEVDHUJGPTI-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3c1cccc3Cl)C2 ZINC001172108711 1137537133 /nfs/dbraw/zinc/53/71/33/1137537133.db2.gz DIWYKVJIBQKOPZ-MUJYYYPQSA-N 2 1 331.891 3.984 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)c1)C2 ZINC001172112286 1137537617 /nfs/dbraw/zinc/53/76/17/1137537617.db2.gz VMRZKCBGSMQGAM-BJWYYQGGSA-N 2 1 326.406 3.853 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccc1F)C2 ZINC001172118174 1137538542 /nfs/dbraw/zinc/53/85/42/1137538542.db2.gz PCSNXCZQHAUJRL-PHZGNYQRSA-N 2 1 344.396 3.992 20 0 EHADMP COc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120095 1137538652 /nfs/dbraw/zinc/53/86/52/1137538652.db2.gz CGSMFBOIUABBLV-RDGPPVDQSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120095 1137538654 /nfs/dbraw/zinc/53/86/54/1137538654.db2.gz CGSMFBOIUABBLV-RDGPPVDQSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120095 1137538656 /nfs/dbraw/zinc/53/86/56/1137538656.db2.gz CGSMFBOIUABBLV-RDGPPVDQSA-N 2 1 344.499 3.554 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001172121729 1137538969 /nfs/dbraw/zinc/53/89/69/1137538969.db2.gz LJUKRXYMRLQAIE-PMOLBWCYSA-N 2 1 346.490 3.822 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001172121729 1137538970 /nfs/dbraw/zinc/53/89/70/1137538970.db2.gz LJUKRXYMRLQAIE-PMOLBWCYSA-N 2 1 346.490 3.822 20 0 EHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122419 1137539004 /nfs/dbraw/zinc/53/90/04/1137539004.db2.gz QBHZZCCCBSVIQT-OEMYIYORSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122419 1137539005 /nfs/dbraw/zinc/53/90/05/1137539005.db2.gz QBHZZCCCBSVIQT-OEMYIYORSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172122419 1137539007 /nfs/dbraw/zinc/53/90/07/1137539007.db2.gz QBHZZCCCBSVIQT-OEMYIYORSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172122419 1137539009 /nfs/dbraw/zinc/53/90/09/1137539009.db2.gz QBHZZCCCBSVIQT-OEMYIYORSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172123233 1137539096 /nfs/dbraw/zinc/53/90/96/1137539096.db2.gz YSGOKRMAPCZDKH-RDGPPVDQSA-N 2 1 344.499 3.856 20 0 EHADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172123233 1137539098 /nfs/dbraw/zinc/53/90/98/1137539098.db2.gz YSGOKRMAPCZDKH-RDGPPVDQSA-N 2 1 344.499 3.856 20 0 EHADMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2)cc1 ZINC001206163404 1137543996 /nfs/dbraw/zinc/54/39/96/1137543996.db2.gz CEUQJURRUPKSND-WOJBJXKFSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2)cc1 ZINC001206163404 1137543997 /nfs/dbraw/zinc/54/39/97/1137543997.db2.gz CEUQJURRUPKSND-WOJBJXKFSA-N 2 1 328.431 3.623 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC3(C=Cc4ccccc43)CC2)CC1 ZINC001172251106 1137544809 /nfs/dbraw/zinc/54/48/09/1137544809.db2.gz AIGWFXHIAMPLFS-UHFFFAOYSA-N 2 1 340.511 3.548 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001172327374 1137545919 /nfs/dbraw/zinc/54/59/19/1137545919.db2.gz DXPSQUHHIPBDFV-DLBZAZTESA-N 2 1 334.504 3.539 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@H]21 ZINC001172285891 1137547782 /nfs/dbraw/zinc/54/77/82/1137547782.db2.gz VTIDVYFWFMLAQW-UKBAYJJMSA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@H]21 ZINC001172285891 1137547783 /nfs/dbraw/zinc/54/77/83/1137547783.db2.gz VTIDVYFWFMLAQW-UKBAYJJMSA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@H]21 ZINC001172285891 1137547784 /nfs/dbraw/zinc/54/77/84/1137547784.db2.gz VTIDVYFWFMLAQW-UKBAYJJMSA-N 2 1 348.556 3.848 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CO1 ZINC001172286070 1137547812 /nfs/dbraw/zinc/54/78/12/1137547812.db2.gz XDPFQUYAIAHNMJ-INIZCTEOSA-N 2 1 334.529 3.604 20 0 EHADMP CCOCC[C@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414663 1137556028 /nfs/dbraw/zinc/55/60/28/1137556028.db2.gz SIRAHCPGWPWUEA-WDSOQIARSA-N 2 1 334.504 3.582 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001172423354 1137556440 /nfs/dbraw/zinc/55/64/40/1137556440.db2.gz HEVVKCPQEDBLLC-HNNXBMFYSA-N 2 1 347.890 3.825 20 0 EHADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000872157320 1137574335 /nfs/dbraw/zinc/57/43/35/1137574335.db2.gz KADOYSCETJZRIK-SJLPKXTDSA-N 2 1 334.529 3.565 20 0 EHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000873232522 1137594436 /nfs/dbraw/zinc/59/44/36/1137594436.db2.gz SBPQGEHSBBXFSL-HNAYVOBHSA-N 3 1 347.572 3.513 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)[nH]n1 ZINC000873227667 1137594442 /nfs/dbraw/zinc/59/44/42/1137594442.db2.gz MPFZEKPEIWILAH-AWEZNQCLSA-N 2 1 344.528 3.620 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n[nH]1 ZINC000873227667 1137594443 /nfs/dbraw/zinc/59/44/43/1137594443.db2.gz MPFZEKPEIWILAH-AWEZNQCLSA-N 2 1 344.528 3.620 20 0 EHADMP CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n[nH]1 ZINC000873227667 1137594444 /nfs/dbraw/zinc/59/44/44/1137594444.db2.gz MPFZEKPEIWILAH-AWEZNQCLSA-N 2 1 344.528 3.620 20 0 EHADMP C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CC1)c1c[nH+]ccc1N ZINC000873281558 1137596387 /nfs/dbraw/zinc/59/63/87/1137596387.db2.gz LEERGAPYATZBTE-LBPRGKRZSA-N 2 1 346.272 3.639 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)CC1 ZINC000825762693 1137627780 /nfs/dbraw/zinc/62/77/80/1137627780.db2.gz QDIRDXHCIIPGCX-UHFFFAOYSA-N 2 1 332.463 3.675 20 0 EHADMP C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)CC1CC[NH+](C)CC1 ZINC000876690649 1137659264 /nfs/dbraw/zinc/65/92/64/1137659264.db2.gz OURKHXPHHDEZNT-UHFFFAOYSA-N 2 1 347.503 3.807 20 0 EHADMP CC[C@@](C)(CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)OC ZINC000876865583 1137664141 /nfs/dbraw/zinc/66/41/41/1137664141.db2.gz CVAKPUNUAXJIKQ-FQEVSTJZSA-N 2 1 333.520 3.692 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877073431 1137669500 /nfs/dbraw/zinc/66/95/00/1137669500.db2.gz KDRRNROTDDJFON-YVNJGZBMSA-N 2 1 341.543 3.817 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877073431 1137669501 /nfs/dbraw/zinc/66/95/01/1137669501.db2.gz KDRRNROTDDJFON-YVNJGZBMSA-N 2 1 341.543 3.817 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119864 1137670663 /nfs/dbraw/zinc/67/06/63/1137670663.db2.gz BSPYYARBUWVNIU-RDJZCZTQSA-N 2 1 344.890 3.520 20 0 EHADMP C[N@@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608623 1137722065 /nfs/dbraw/zinc/72/20/65/1137722065.db2.gz XVOZDAXHNZNFQX-BFSSTPSDSA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608623 1137722066 /nfs/dbraw/zinc/72/20/66/1137722066.db2.gz XVOZDAXHNZNFQX-BFSSTPSDSA-N 2 1 328.500 3.854 20 0 EHADMP C[NH+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608623 1137722067 /nfs/dbraw/zinc/72/20/67/1137722067.db2.gz XVOZDAXHNZNFQX-BFSSTPSDSA-N 2 1 328.500 3.854 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652912 1137723830 /nfs/dbraw/zinc/72/38/30/1137723830.db2.gz VVWRENFBFRJENS-NJYVYQBISA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652912 1137723831 /nfs/dbraw/zinc/72/38/31/1137723831.db2.gz VVWRENFBFRJENS-NJYVYQBISA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652912 1137723832 /nfs/dbraw/zinc/72/38/32/1137723832.db2.gz VVWRENFBFRJENS-NJYVYQBISA-N 2 1 328.500 3.715 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)O2)cc1 ZINC000878746704 1137726937 /nfs/dbraw/zinc/72/69/37/1137726937.db2.gz DETCFBFGXXBZMA-RTWAWAEBSA-N 2 1 337.467 3.514 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578186 1137751660 /nfs/dbraw/zinc/75/16/60/1137751660.db2.gz BQHACZNHWBALNN-QUCCMNQESA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578186 1137751661 /nfs/dbraw/zinc/75/16/61/1137751661.db2.gz BQHACZNHWBALNN-QUCCMNQESA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578186 1137751662 /nfs/dbraw/zinc/75/16/62/1137751662.db2.gz BQHACZNHWBALNN-QUCCMNQESA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578186 1137751663 /nfs/dbraw/zinc/75/16/63/1137751663.db2.gz BQHACZNHWBALNN-QUCCMNQESA-N 2 1 340.515 3.541 20 0 EHADMP CO[C@@H](C)c1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000879704852 1137755809 /nfs/dbraw/zinc/75/58/09/1137755809.db2.gz VRGVPSIYPVBVSY-HNNXBMFYSA-N 2 1 339.549 3.650 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2cc[nH]c2c1 ZINC000879727750 1137756796 /nfs/dbraw/zinc/75/67/96/1137756796.db2.gz ILXGXAUWFIUCIN-UHFFFAOYSA-N 2 1 349.478 3.632 20 0 EHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2cc[nH]c2c1 ZINC000879727750 1137756797 /nfs/dbraw/zinc/75/67/97/1137756797.db2.gz ILXGXAUWFIUCIN-UHFFFAOYSA-N 2 1 349.478 3.632 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001137884276 1137781279 /nfs/dbraw/zinc/78/12/79/1137781279.db2.gz PMKAAMYWGMZNCO-UHFFFAOYSA-N 2 1 328.834 3.926 20 0 EHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)c1 ZINC001137173381 1137820277 /nfs/dbraw/zinc/82/02/77/1137820277.db2.gz SWRHDWUKEXWIRK-KDURUIRLSA-N 2 1 349.503 3.860 20 0 EHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)c1 ZINC001137173381 1137820278 /nfs/dbraw/zinc/82/02/78/1137820278.db2.gz SWRHDWUKEXWIRK-KDURUIRLSA-N 2 1 349.503 3.860 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5cccnc54)C[C@H]3C2)c1 ZINC001137173381 1137820279 /nfs/dbraw/zinc/82/02/79/1137820279.db2.gz SWRHDWUKEXWIRK-KDURUIRLSA-N 2 1 349.503 3.860 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5cccnc54)C[C@H]3C2)c1 ZINC001137173381 1137820280 /nfs/dbraw/zinc/82/02/80/1137820280.db2.gz SWRHDWUKEXWIRK-KDURUIRLSA-N 2 1 349.503 3.860 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H]4CC[C@@H](C4)C3)CC2)oc1C ZINC000882993040 1137840760 /nfs/dbraw/zinc/84/07/60/1137840760.db2.gz FBVGPDRNLCOLKX-REPLKXPHSA-N 2 1 331.504 3.672 20 0 EHADMP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCOCC2)cc1 ZINC000883173918 1137847305 /nfs/dbraw/zinc/84/73/05/1137847305.db2.gz WYNMUDHRCQKYNH-AABGKKOBSA-N 2 1 332.463 3.510 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1sccc1Cl ZINC000883190453 1137847903 /nfs/dbraw/zinc/84/79/03/1137847903.db2.gz CSFUJSKNUAVLPJ-XJKSGUPXSA-N 2 1 342.936 3.943 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCOC1 ZINC000883352580 1137857015 /nfs/dbraw/zinc/85/70/15/1137857015.db2.gz DLVKAEIFXJUTSM-HKBOAZHASA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCOC1 ZINC000883352580 1137857016 /nfs/dbraw/zinc/85/70/16/1137857016.db2.gz DLVKAEIFXJUTSM-HKBOAZHASA-N 2 1 342.527 3.978 20 0 EHADMP C[N@@H+](CCC1CCOCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001202664693 1137912146 /nfs/dbraw/zinc/91/21/46/1137912146.db2.gz WTIVUQCRDGIQMV-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP c1ccc(C[N@H+]2CCCSCC2)c(C[NH+]2CCCSCC2)c1 ZINC000121517908 1137958490 /nfs/dbraw/zinc/95/84/90/1137958490.db2.gz ADVYKJFYZKTIHD-UHFFFAOYSA-N 2 1 336.570 3.564 20 0 EHADMP Cc1ccc2nc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)ccc2c1 ZINC001137218852 1138008691 /nfs/dbraw/zinc/00/86/91/1138008691.db2.gz ORDPMZIBMOLNDC-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CCC([NH3+])CC1 ZINC000137206176 1138050773 /nfs/dbraw/zinc/05/07/73/1138050773.db2.gz WROSYGKKGVEWRQ-UHFFFAOYSA-N 2 1 331.685 3.804 20 0 EHADMP C[C@@H]1C[N@@H+](CCCc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981797 1138066195 /nfs/dbraw/zinc/06/61/95/1138066195.db2.gz HEOWWKJWPIOVBX-ZBFHGGJFSA-N 2 1 339.321 3.689 20 0 EHADMP Cc1cccc(CCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886609116 1138101407 /nfs/dbraw/zinc/10/14/07/1138101407.db2.gz MJVWJBDGDFBNTQ-PMVMPFDFSA-N 2 1 349.522 3.965 20 0 EHADMP Cc1csc(C[C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000886691410 1138116263 /nfs/dbraw/zinc/11/62/63/1138116263.db2.gz DHSITAAGBMOGEM-KRWDZBQOSA-N 2 1 332.517 3.691 20 0 EHADMP Cc1csc(C[C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000886691410 1138116264 /nfs/dbraw/zinc/11/62/64/1138116264.db2.gz DHSITAAGBMOGEM-KRWDZBQOSA-N 2 1 332.517 3.691 20 0 EHADMP C[N@@H+](CCCCCn1cccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109648 1138129900 /nfs/dbraw/zinc/12/99/00/1138129900.db2.gz RBKOEIONDSKASQ-NRFANRHFSA-N 2 1 340.515 3.507 20 0 EHADMP C[NH+](CCCCCn1cccn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109648 1138129901 /nfs/dbraw/zinc/12/99/01/1138129901.db2.gz RBKOEIONDSKASQ-NRFANRHFSA-N 2 1 340.515 3.507 20 0 EHADMP C[NH+](CCCCCn1cccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109648 1138129903 /nfs/dbraw/zinc/12/99/03/1138129903.db2.gz RBKOEIONDSKASQ-NRFANRHFSA-N 2 1 340.515 3.507 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000089515644 1138200515 /nfs/dbraw/zinc/20/05/15/1138200515.db2.gz WPBFQDUMWKFBGQ-WCXIOVBPSA-N 2 1 336.545 3.742 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716283 1138213303 /nfs/dbraw/zinc/21/33/03/1138213303.db2.gz VKBGVECUYBCFQX-CKEIUWERSA-N 2 1 344.421 3.584 20 0 EHADMP C/C(=C\c1ccccc1)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000092665500 1138230080 /nfs/dbraw/zinc/23/00/80/1138230080.db2.gz HQUPWONHKIUPQH-OADSPKGTSA-N 2 1 341.543 3.580 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016662 1138233531 /nfs/dbraw/zinc/23/35/31/1138233531.db2.gz FAHRTFLHSOIPRI-HXUWFJFHSA-N 2 1 343.515 3.733 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016662 1138233534 /nfs/dbraw/zinc/23/35/34/1138233534.db2.gz FAHRTFLHSOIPRI-HXUWFJFHSA-N 2 1 343.515 3.733 20 0 EHADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000093643675 1138239446 /nfs/dbraw/zinc/23/94/46/1138239446.db2.gz HVQYTZGFWRWVKJ-UKRRQHHQSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc(Cl)c1OC ZINC000093643675 1138239447 /nfs/dbraw/zinc/23/94/47/1138239447.db2.gz HVQYTZGFWRWVKJ-UKRRQHHQSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc(Cl)c1OC ZINC000093643675 1138239448 /nfs/dbraw/zinc/23/94/48/1138239448.db2.gz HVQYTZGFWRWVKJ-UKRRQHHQSA-N 2 1 340.895 3.662 20 0 EHADMP COc1ccc2oc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2c1 ZINC000126360812 1138329486 /nfs/dbraw/zinc/32/94/86/1138329486.db2.gz URXLQLWMOYZTLX-UHFFFAOYSA-N 2 1 328.456 3.938 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(O)cccc32)C2CC3CC(C2)CC1C3 ZINC000333883927 1138343182 /nfs/dbraw/zinc/34/31/82/1138343182.db2.gz WTDAIEPTWNKNIE-WWDNHLEVSA-N 2 1 326.484 3.513 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@@H](C)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000128020809 1138378120 /nfs/dbraw/zinc/37/81/20/1138378120.db2.gz BVWFPXYRMXOCPU-CQSZACIVSA-N 2 1 342.462 3.595 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000132754774 1138600523 /nfs/dbraw/zinc/60/05/23/1138600523.db2.gz CAVUQPZLXQICED-ZDUSSCGKSA-N 2 1 328.847 3.819 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000132999452 1138615302 /nfs/dbraw/zinc/61/53/02/1138615302.db2.gz FCBRJSRGEQCMAK-KBPBESRZSA-N 2 1 340.870 3.631 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCC[C@H]2C)cc1 ZINC000337996956 1138719342 /nfs/dbraw/zinc/71/93/42/1138719342.db2.gz BPTICBUMGFJIGE-GOSISDBHSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000337996956 1138719345 /nfs/dbraw/zinc/71/93/45/1138719345.db2.gz BPTICBUMGFJIGE-GOSISDBHSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000337996956 1138719348 /nfs/dbraw/zinc/71/93/48/1138719348.db2.gz BPTICBUMGFJIGE-GOSISDBHSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H]3C3CCC3)CC2)oc1C ZINC000337999955 1138719953 /nfs/dbraw/zinc/71/99/53/1138719953.db2.gz PKIJNGUGOWNQFC-OALUTQOASA-N 2 1 331.504 3.672 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)CC2CCCC2)cc1 ZINC000338010551 1138723506 /nfs/dbraw/zinc/72/35/06/1138723506.db2.gz YVWDBQLNTLDMMR-KXBFYZLASA-N 2 1 327.472 3.773 20 0 EHADMP Cc1ccoc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000151367059 1139028279 /nfs/dbraw/zinc/02/82/79/1139028279.db2.gz QMAUIXXWYKDOOV-UHFFFAOYSA-N 2 1 327.472 3.978 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178372042 1139689806 /nfs/dbraw/zinc/68/98/06/1139689806.db2.gz SJSKLRQNKSNYDE-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(F)cc1 ZINC000178695708 1139713058 /nfs/dbraw/zinc/71/30/58/1139713058.db2.gz DOQAZHPLEQYPJZ-IBGZPJMESA-N 2 1 342.462 3.942 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1F ZINC000180010527 1139800824 /nfs/dbraw/zinc/80/08/24/1139800824.db2.gz KQYIJUQPZJZXBW-NRFANRHFSA-N 2 1 342.458 3.899 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@@H]2CSCCS2)C3)cc1 ZINC000180156954 1139814356 /nfs/dbraw/zinc/81/43/56/1139814356.db2.gz NADXIBCVROLVGQ-XVLXNVKGSA-N 2 1 348.581 3.620 20 0 EHADMP CC(C)(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180166132 1139815168 /nfs/dbraw/zinc/81/51/68/1139815168.db2.gz RASIEVMKHRYNBQ-SEBOWIOWSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H]([NH2+]CCCOCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744075 1140168008 /nfs/dbraw/zinc/16/80/08/1140168008.db2.gz HRGNDFMYODXMCA-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP OC1(CCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000828605342 1140207458 /nfs/dbraw/zinc/20/74/58/1140207458.db2.gz MTNOMOWWXGIMEF-SEJPIABJSA-N 2 1 342.527 3.857 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000191474014 1140466047 /nfs/dbraw/zinc/46/60/47/1140466047.db2.gz OVKUXKASORUROM-QGZVFWFLSA-N 2 1 335.879 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000191474014 1140466048 /nfs/dbraw/zinc/46/60/48/1140466048.db2.gz OVKUXKASORUROM-QGZVFWFLSA-N 2 1 335.879 3.545 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CCS2 ZINC000191492793 1140467493 /nfs/dbraw/zinc/46/74/93/1140467493.db2.gz ACLYRADPOCCXBE-SFHVURJKSA-N 2 1 334.529 3.942 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268731653 1140978193 /nfs/dbraw/zinc/97/81/93/1140978193.db2.gz UGLQERDBYIAOEL-HOJAQTOUSA-N 2 1 341.499 3.525 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771969 1140988357 /nfs/dbraw/zinc/98/83/57/1140988357.db2.gz FIHLTWSQMQWHSJ-STZQEDGTSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771969 1140988361 /nfs/dbraw/zinc/98/83/61/1140988361.db2.gz FIHLTWSQMQWHSJ-STZQEDGTSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000268835767 1141004067 /nfs/dbraw/zinc/00/40/67/1141004067.db2.gz UEZRDCCOZZZDSS-GFCCVEGCSA-N 2 1 325.428 3.900 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009700 /nfs/dbraw/zinc/00/97/00/1141009700.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009709 /nfs/dbraw/zinc/00/97/09/1141009709.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009714 /nfs/dbraw/zinc/00/97/14/1141009714.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009722 /nfs/dbraw/zinc/00/97/22/1141009722.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009729 /nfs/dbraw/zinc/00/97/29/1141009729.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009732 /nfs/dbraw/zinc/00/97/32/1141009732.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268855600 1141009739 /nfs/dbraw/zinc/00/97/39/1141009739.db2.gz GSFLSRRFZZKZQL-BAGYTPMASA-N 3 1 343.559 3.607 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000268869888 1141013067 /nfs/dbraw/zinc/01/30/67/1141013067.db2.gz OSNAAMUWRLMHRW-AWEZNQCLSA-N 2 1 348.878 3.550 20 0 EHADMP CCCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268883351 1141015987 /nfs/dbraw/zinc/01/59/87/1141015987.db2.gz FPBAZPSZRRTTFM-UGKGYDQZSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268888948 1141018345 /nfs/dbraw/zinc/01/83/45/1141018345.db2.gz ZLHMWOXBZHQSHP-NPPFBWRTSA-N 2 1 338.495 3.740 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000269013645 1141046305 /nfs/dbraw/zinc/04/63/05/1141046305.db2.gz OCRQOEGHQWJBAT-OAHLLOKOSA-N 2 1 332.488 3.680 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCNc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000269101610 1141065801 /nfs/dbraw/zinc/06/58/01/1141065801.db2.gz UGCQVDYUYQMKPE-QUCCMNQESA-N 3 1 338.499 3.526 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCNc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000269101610 1141065809 /nfs/dbraw/zinc/06/58/09/1141065809.db2.gz UGCQVDYUYQMKPE-QUCCMNQESA-N 2 1 338.499 3.526 20 0 EHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269864293 1141152478 /nfs/dbraw/zinc/15/24/78/1141152478.db2.gz KFHJTBBZJIUIEW-SFHVURJKSA-N 2 1 346.421 3.682 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000270825115 1141274218 /nfs/dbraw/zinc/27/42/18/1141274218.db2.gz BQLPCIJYTSCERE-IRXDYDNUSA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000270825115 1141274223 /nfs/dbraw/zinc/27/42/23/1141274223.db2.gz BQLPCIJYTSCERE-IRXDYDNUSA-N 2 1 333.501 3.621 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000271564783 1141398135 /nfs/dbraw/zinc/39/81/35/1141398135.db2.gz UVADHUDILWPOIT-RTWAWAEBSA-N 2 1 344.543 3.877 20 0 EHADMP Cc1sccc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000339182094 1141520652 /nfs/dbraw/zinc/52/06/52/1141520652.db2.gz QGXPBAYGHJHCJC-HXUWFJFHSA-N 2 1 343.540 3.525 20 0 EHADMP Clc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000283201835 1141572266 /nfs/dbraw/zinc/57/22/66/1141572266.db2.gz RLAZVIJVCJFVFE-IUODEOHRSA-N 2 1 340.298 3.837 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)CC1 ZINC000349125238 1141641907 /nfs/dbraw/zinc/64/19/07/1141641907.db2.gz CZXIRYRQDCCXGF-CQSZACIVSA-N 2 1 333.476 3.599 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000049856233 214033737 /nfs/dbraw/zinc/03/37/37/214033737.db2.gz GWGSOGFGHKLCLT-CZUORRHYSA-N 2 1 325.294 3.974 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416608 1032060295 /nfs/dbraw/zinc/06/02/95/1032060295.db2.gz OPDMPUOVVFGATR-CKEIUWERSA-N 2 1 337.305 3.974 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416608 1032060313 /nfs/dbraw/zinc/06/03/13/1032060313.db2.gz OPDMPUOVVFGATR-CKEIUWERSA-N 2 1 337.305 3.974 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000537968258 1032069616 /nfs/dbraw/zinc/06/96/16/1032069616.db2.gz YAYXVAIISUTVMR-SFTDATJTSA-N 2 1 342.527 3.947 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459407081 1032072644 /nfs/dbraw/zinc/07/26/44/1032072644.db2.gz DRXLWPKGJGJFBG-GOSISDBHSA-N 3 1 344.547 3.541 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459407081 1032072666 /nfs/dbraw/zinc/07/26/66/1032072666.db2.gz DRXLWPKGJGJFBG-GOSISDBHSA-N 3 1 344.547 3.541 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000339278575 1014146827 /nfs/dbraw/zinc/14/68/27/1014146827.db2.gz IXKLBPRRCLCQPL-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000339278575 1014146833 /nfs/dbraw/zinc/14/68/33/1014146833.db2.gz IXKLBPRRCLCQPL-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP c1ccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000683106549 1014328723 /nfs/dbraw/zinc/32/87/23/1014328723.db2.gz APOOJZCGFFUHGZ-BAGYTPMASA-N 2 1 342.527 3.946 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426443 1014403257 /nfs/dbraw/zinc/40/32/57/1014403257.db2.gz LXQOTZDGVNFYNP-OAQYLSRUSA-N 2 1 337.467 3.792 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426443 1014403262 /nfs/dbraw/zinc/40/32/62/1014403262.db2.gz LXQOTZDGVNFYNP-OAQYLSRUSA-N 2 1 337.467 3.792 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426443 1014403268 /nfs/dbraw/zinc/40/32/68/1014403268.db2.gz LXQOTZDGVNFYNP-OAQYLSRUSA-N 2 1 337.467 3.792 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000339426443 1014403272 /nfs/dbraw/zinc/40/32/72/1014403272.db2.gz LXQOTZDGVNFYNP-OAQYLSRUSA-N 2 1 337.467 3.792 20 0 EHADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772202 1014960428 /nfs/dbraw/zinc/96/04/28/1014960428.db2.gz ZDPLOQTXNMRVBX-CMPLNLGQSA-N 2 1 336.785 3.798 20 0 EHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772202 1014960443 /nfs/dbraw/zinc/96/04/43/1014960443.db2.gz ZDPLOQTXNMRVBX-CMPLNLGQSA-N 2 1 336.785 3.798 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(SCC(F)(F)F)cc1 ZINC000530513268 1015075344 /nfs/dbraw/zinc/07/53/44/1015075344.db2.gz YLNMKKKWYOURIW-GFCCVEGCSA-N 2 1 343.418 3.968 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)cc1 ZINC000154654137 1015711076 /nfs/dbraw/zinc/71/10/76/1015711076.db2.gz CWLBONANVXCWLC-FUHWJXTLSA-N 2 1 329.488 3.876 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447135 1032134695 /nfs/dbraw/zinc/13/46/95/1032134695.db2.gz VZXVYFGTLZDYKS-AZUAARDMSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000459447135 1032134701 /nfs/dbraw/zinc/13/47/01/1032134701.db2.gz VZXVYFGTLZDYKS-AZUAARDMSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459447135 1032134710 /nfs/dbraw/zinc/13/47/10/1032134710.db2.gz VZXVYFGTLZDYKS-AZUAARDMSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H](c1ccccc1Cl)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755361 1016272632 /nfs/dbraw/zinc/27/26/32/1016272632.db2.gz CMLSRVNXCAFFCE-IRXDYDNUSA-N 2 1 335.923 3.503 20 0 EHADMP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000093444978 1016341366 /nfs/dbraw/zinc/34/13/66/1016341366.db2.gz FXEAOTCVFTXLLV-NRFANRHFSA-N 2 1 339.483 3.668 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000510236428 1016587539 /nfs/dbraw/zinc/58/75/39/1016587539.db2.gz BHNGGHSBJKKHOB-KRWDZBQOSA-N 2 1 326.484 3.953 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+]C2CCN(C3CC3)CC2)s1 ZINC000449070526 1032157558 /nfs/dbraw/zinc/15/75/58/1032157558.db2.gz KJDXLNFTDJJIHC-UHFFFAOYSA-N 2 1 331.460 3.666 20 0 EHADMP COCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615856 1032174476 /nfs/dbraw/zinc/17/44/76/1032174476.db2.gz BIVDTYGUSFRWMQ-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615856 1032174482 /nfs/dbraw/zinc/17/44/82/1032174482.db2.gz BIVDTYGUSFRWMQ-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000584360072 1032181742 /nfs/dbraw/zinc/18/17/42/1032181742.db2.gz WISYNCNLZZFULC-SFHVURJKSA-N 2 1 345.874 3.643 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCc3cccc(C)c3)CC2)oc1C ZINC000449125954 1032217793 /nfs/dbraw/zinc/21/77/93/1032217793.db2.gz SMJAQAHSQRWOEK-UHFFFAOYSA-N 2 1 341.499 3.644 20 0 EHADMP CCc1noc(C)c1C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000536737339 1032234236 /nfs/dbraw/zinc/23/42/36/1032234236.db2.gz BMOPNWVSNKRRSF-UHFFFAOYSA-N 2 1 333.520 3.879 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000449145128 1032247571 /nfs/dbraw/zinc/24/75/71/1032247571.db2.gz WIGFTKPQBRNLRW-IBGZPJMESA-N 2 1 332.532 3.989 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)cc1 ZINC000191575554 1032256816 /nfs/dbraw/zinc/25/68/16/1032256816.db2.gz VUFFTYBZHKTQHU-LAUBAEHRSA-N 2 1 349.478 3.743 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C(C)C ZINC000449190324 1032285639 /nfs/dbraw/zinc/28/56/39/1032285639.db2.gz VZEKLEXJERUNGQ-UHFFFAOYSA-N 2 1 346.494 3.825 20 0 EHADMP Cc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)s1 ZINC000449177706 1032292394 /nfs/dbraw/zinc/29/23/94/1032292394.db2.gz SUJOASWXRRPRRO-HNNXBMFYSA-N 2 1 343.540 3.945 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000449207657 1032311387 /nfs/dbraw/zinc/31/13/87/1032311387.db2.gz CGXCQYYYRXSMSL-NRSPTQNISA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449198026 1032322948 /nfs/dbraw/zinc/32/29/48/1032322948.db2.gz ZHVSHBKSNXKCCK-APWZRJJASA-N 2 1 335.580 3.738 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000538389231 1032334790 /nfs/dbraw/zinc/33/47/90/1032334790.db2.gz BXUPHFMYMYVMFH-GOSISDBHSA-N 2 1 333.451 3.804 20 0 EHADMP C[C@@H](NCc1cc2cccnc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223153 1032340613 /nfs/dbraw/zinc/34/06/13/1032340613.db2.gz FBYPICILOPIDBZ-VQIMIIECSA-N 2 1 335.451 3.828 20 0 EHADMP C[C@@H]([NH2+]Cc1cc2cccnc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223153 1032340621 /nfs/dbraw/zinc/34/06/21/1032340621.db2.gz FBYPICILOPIDBZ-VQIMIIECSA-N 2 1 335.451 3.828 20 0 EHADMP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000905123457 1032352911 /nfs/dbraw/zinc/35/29/11/1032352911.db2.gz YPMVJSLUGVSOQL-GCJKJVERSA-N 2 1 338.495 3.844 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305337 1032424777 /nfs/dbraw/zinc/42/47/77/1032424777.db2.gz RZOXLJGGFALSIJ-HKUYNNGSSA-N 2 1 349.950 3.592 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459728084 1032433056 /nfs/dbraw/zinc/43/30/56/1032433056.db2.gz CRAKKLWFBIBZKX-HUUCEWRRSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1cc(Br)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459783454 1032467114 /nfs/dbraw/zinc/46/71/14/1032467114.db2.gz NEZHFMOATHPKFQ-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000459778708 1032465454 /nfs/dbraw/zinc/46/54/54/1032465454.db2.gz LGVVBMKWQLMQNP-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459795995 1032478276 /nfs/dbraw/zinc/47/82/76/1032478276.db2.gz VTCGHIXMNYYYHG-ZWKOTPCHSA-N 2 1 345.531 3.849 20 0 EHADMP CSC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000423372373 1032542194 /nfs/dbraw/zinc/54/21/94/1032542194.db2.gz GCSSXSRUGHXGNB-GLQYFDAESA-N 2 1 332.435 3.840 20 0 EHADMP Cc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CCCC2)o1 ZINC000537189868 1032559746 /nfs/dbraw/zinc/55/97/46/1032559746.db2.gz IFCKJASVDCIYCY-OAQYLSRUSA-N 2 1 347.547 3.683 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000090953714 1032580706 /nfs/dbraw/zinc/58/07/06/1032580706.db2.gz IFVLTHPQEIARIH-GCJKJVERSA-N 2 1 338.495 3.738 20 0 EHADMP CCOC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000657861403 1032598526 /nfs/dbraw/zinc/59/85/26/1032598526.db2.gz RJEGPMYPJKCWEO-WWDZGPRUSA-N 2 1 336.545 3.897 20 0 EHADMP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000657861403 1032598536 /nfs/dbraw/zinc/59/85/36/1032598536.db2.gz RJEGPMYPJKCWEO-WWDZGPRUSA-N 2 1 336.545 3.897 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000130651743 1122981380 /nfs/dbraw/zinc/98/13/80/1122981380.db2.gz GRULHWBJJXKYAL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000091319391 1032684922 /nfs/dbraw/zinc/68/49/22/1032684922.db2.gz IEOWEWMSPHJOIE-RBBKRZOGSA-N 2 1 337.511 3.933 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468556295 1017338151 /nfs/dbraw/zinc/33/81/51/1017338151.db2.gz VEQQTIPMMBJDFG-LALPHHSUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468556295 1017338159 /nfs/dbraw/zinc/33/81/59/1017338159.db2.gz VEQQTIPMMBJDFG-LALPHHSUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000378910082 1017416487 /nfs/dbraw/zinc/41/64/87/1017416487.db2.gz IAGMUNBLJSYCTB-KRWDZBQOSA-N 2 1 328.525 3.976 20 0 EHADMP c1ccc2cc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccc2c1 ZINC000655702005 1017425276 /nfs/dbraw/zinc/42/52/76/1017425276.db2.gz MWVUNPXADHHGMG-JOCHJYFZSA-N 2 1 338.495 3.615 20 0 EHADMP Cc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655704772 1017426275 /nfs/dbraw/zinc/42/62/75/1017426275.db2.gz KIRHFJCMGMOHIF-IBGZPJMESA-N 2 1 330.516 3.506 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000120979644 1017428203 /nfs/dbraw/zinc/42/82/03/1017428203.db2.gz OJURXXFDQHXUPO-OAHLLOKOSA-N 2 1 330.476 3.722 20 0 EHADMP Cc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCC2)c1 ZINC000655708083 1017441587 /nfs/dbraw/zinc/44/15/87/1017441587.db2.gz JFGQOIWGWXLABY-NRFANRHFSA-N 2 1 342.527 3.650 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCN(c4ccccc4)C3)CC[NH2+]2)cc1 ZINC000415076590 1017508510 /nfs/dbraw/zinc/50/85/10/1017508510.db2.gz DAACQZVYOLTTJL-DWLFOUALSA-N 2 1 335.495 3.596 20 0 EHADMP Cc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCC2)c1 ZINC000655748059 1017516628 /nfs/dbraw/zinc/51/66/28/1017516628.db2.gz OAIRTNSEQHESNO-OAQYLSRUSA-N 2 1 342.527 3.997 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000415079299 1017519172 /nfs/dbraw/zinc/51/91/72/1017519172.db2.gz HVICYOAWVKJKOU-OPYAIIAOSA-N 2 1 344.547 3.507 20 0 EHADMP COCc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1F ZINC000415089199 1017536068 /nfs/dbraw/zinc/53/60/68/1017536068.db2.gz YLWNVDBLZVIOOQ-UYAOXDASSA-N 2 1 328.431 3.555 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655774110 1017567695 /nfs/dbraw/zinc/56/76/95/1017567695.db2.gz PXEANLJNHBMOBT-FCEUIQTBSA-N 2 1 342.527 3.803 20 0 EHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000415118745 1017577016 /nfs/dbraw/zinc/57/70/16/1017577016.db2.gz DXDVGKZKKNMRMQ-SJORKVTESA-N 2 1 343.298 3.712 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000415136309 1017592248 /nfs/dbraw/zinc/59/22/48/1017592248.db2.gz RLJUAAUOHBWUOZ-UHFFFAOYSA-N 2 1 345.874 3.634 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000415136309 1017592257 /nfs/dbraw/zinc/59/22/57/1017592257.db2.gz RLJUAAUOHBWUOZ-UHFFFAOYSA-N 2 1 345.874 3.634 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849716 1017767504 /nfs/dbraw/zinc/76/75/04/1017767504.db2.gz YGBMFZBHIOAIIN-PBASOCQRSA-N 2 1 333.564 3.636 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655849716 1017767512 /nfs/dbraw/zinc/76/75/12/1017767512.db2.gz YGBMFZBHIOAIIN-PBASOCQRSA-N 2 1 333.564 3.636 20 0 EHADMP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000340468620 1017958886 /nfs/dbraw/zinc/95/88/86/1017958886.db2.gz GJRUZTIWQPDNFS-QFIPXVFZSA-N 2 1 336.479 3.808 20 0 EHADMP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000340468620 1017958893 /nfs/dbraw/zinc/95/88/93/1017958893.db2.gz GJRUZTIWQPDNFS-QFIPXVFZSA-N 2 1 336.479 3.808 20 0 EHADMP CN(Cc1cccc(Cl)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109984 1018010789 /nfs/dbraw/zinc/01/07/89/1018010789.db2.gz BFMWLGUOYDAECI-KRWDZBQOSA-N 2 1 329.875 3.689 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893018282 1018175654 /nfs/dbraw/zinc/17/56/54/1018175654.db2.gz DWUVHXIFQWMKSE-KBXCAEBGSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893018282 1018175662 /nfs/dbraw/zinc/17/56/62/1018175662.db2.gz DWUVHXIFQWMKSE-KBXCAEBGSA-N 2 1 333.476 3.763 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000340533506 1018262067 /nfs/dbraw/zinc/26/20/67/1018262067.db2.gz YIKMHSLILLYJJF-AFVILVPDSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000123586626 1018368954 /nfs/dbraw/zinc/36/89/54/1018368954.db2.gz HJGSHJIVDQJEHW-UHFFFAOYSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC[N@@H+]1C ZINC000539217842 1018394237 /nfs/dbraw/zinc/39/42/37/1018394237.db2.gz MTLSWWVIDITVLY-JLZZUVOBSA-N 2 1 337.305 3.973 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC[N@H+]1C ZINC000539217842 1018394245 /nfs/dbraw/zinc/39/42/45/1018394245.db2.gz MTLSWWVIDITVLY-JLZZUVOBSA-N 2 1 337.305 3.973 20 0 EHADMP COc1cccc(C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)c2ccccc2)c1 ZINC000377802938 1018398959 /nfs/dbraw/zinc/39/89/59/1018398959.db2.gz PKQADSVNNQNCIK-WIYYLYMNSA-N 2 1 347.462 3.849 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072989 1032767159 /nfs/dbraw/zinc/76/71/59/1032767159.db2.gz AEOSOBANOHKICP-LJQANCHMSA-N 2 1 340.515 3.747 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072989 1032767172 /nfs/dbraw/zinc/76/71/72/1032767172.db2.gz AEOSOBANOHKICP-LJQANCHMSA-N 2 1 340.515 3.747 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072989 1032767192 /nfs/dbraw/zinc/76/71/92/1032767192.db2.gz AEOSOBANOHKICP-LJQANCHMSA-N 2 1 340.515 3.747 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000449550987 1032772160 /nfs/dbraw/zinc/77/21/60/1032772160.db2.gz FCOROLNGQMNJCM-KRWDZBQOSA-N 2 1 344.421 3.857 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001168279755 1032810418 /nfs/dbraw/zinc/81/04/18/1032810418.db2.gz KWUWLAHYJPPVTG-PMACEKPBSA-N 2 1 328.500 3.503 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430429 1019352616 /nfs/dbraw/zinc/35/26/16/1019352616.db2.gz DZYGDWKVYVKYNW-QMMLZNLJSA-N 2 1 342.527 3.977 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000580430429 1019352624 /nfs/dbraw/zinc/35/26/24/1019352624.db2.gz DZYGDWKVYVKYNW-QMMLZNLJSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561246 1019512810 /nfs/dbraw/zinc/51/28/10/1019512810.db2.gz FSHCGRAASDIBLO-KIZRIRGWSA-N 2 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561246 1019512828 /nfs/dbraw/zinc/51/28/28/1019512828.db2.gz FSHCGRAASDIBLO-KIZRIRGWSA-N 3 1 343.559 3.797 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561246 1019512844 /nfs/dbraw/zinc/51/28/44/1019512844.db2.gz FSHCGRAASDIBLO-KIZRIRGWSA-N 3 1 343.559 3.797 20 0 EHADMP Cn1cc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(C)(C)C)cn1 ZINC000513325819 1019531063 /nfs/dbraw/zinc/53/10/63/1019531063.db2.gz LDPPALZEWFKEOX-IBGZPJMESA-N 2 1 332.536 3.894 20 0 EHADMP Cc1nc2c(n1[C@H]1CC[N@H+](C[C@@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752958 1019567854 /nfs/dbraw/zinc/56/78/54/1019567854.db2.gz DRVGDSDYPOSCRR-LPHOPBHVSA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752958 1019567866 /nfs/dbraw/zinc/56/78/66/1019567866.db2.gz DRVGDSDYPOSCRR-LPHOPBHVSA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752958 1019567878 /nfs/dbraw/zinc/56/78/78/1019567878.db2.gz DRVGDSDYPOSCRR-LPHOPBHVSA-N 2 1 345.531 3.770 20 0 EHADMP Cc1noc(C)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544025 1019809292 /nfs/dbraw/zinc/80/92/92/1019809292.db2.gz CBEQFWGGKICVKF-BEFAXECRSA-N 2 1 327.472 3.682 20 0 EHADMP Cc1noc(C)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544026 1019810019 /nfs/dbraw/zinc/81/00/19/1019810019.db2.gz CBEQFWGGKICVKF-DNVCBOLYSA-N 2 1 327.472 3.682 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020683 1019828026 /nfs/dbraw/zinc/82/80/26/1019828026.db2.gz HTFIHLRMEFZTFW-UHFFFAOYSA-N 2 1 343.515 3.738 20 0 EHADMP Cc1cnccc1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000580711589 1019895748 /nfs/dbraw/zinc/89/57/48/1019895748.db2.gz FYHGEKYILNOXQH-LJQANCHMSA-N 2 1 329.532 3.909 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000513678963 1019942549 /nfs/dbraw/zinc/94/25/49/1019942549.db2.gz SPZGTRWBVRAYQN-OBZTUIKSSA-N 2 1 343.515 3.634 20 0 EHADMP CCC1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)CCOCC1 ZINC000580789131 1020019978 /nfs/dbraw/zinc/01/99/78/1020019978.db2.gz QOUJICLUBATQEU-WOJBJXKFSA-N 2 1 330.516 3.866 20 0 EHADMP c1c[nH]c([C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2cccnc2)n1 ZINC000280111045 1020092297 /nfs/dbraw/zinc/09/22/97/1020092297.db2.gz NQRBCGZGXIWGFO-IBGZPJMESA-N 2 1 341.503 3.530 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000127275075 1020190726 /nfs/dbraw/zinc/19/07/26/1020190726.db2.gz LGJRJDWPUAVLQS-HNNXBMFYSA-N 2 1 330.472 3.863 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1O ZINC000065976632 1020518736 /nfs/dbraw/zinc/51/87/36/1020518736.db2.gz DBCZVHJRPMQCFP-UHFFFAOYSA-N 2 1 328.456 3.531 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542544 1020581078 /nfs/dbraw/zinc/58/10/78/1020581078.db2.gz KUKIZAOSGQDTGO-MSOLQXFVSA-N 2 1 349.563 3.540 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430542544 1020581088 /nfs/dbraw/zinc/58/10/88/1020581088.db2.gz KUKIZAOSGQDTGO-MSOLQXFVSA-N 2 1 349.563 3.540 20 0 EHADMP COc1cccc([C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501046092 1020665155 /nfs/dbraw/zinc/66/51/55/1020665155.db2.gz LDVJEYRKCDYRLV-QGZVFWFLSA-N 2 1 339.483 4.000 20 0 EHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1C ZINC000501134206 1020726006 /nfs/dbraw/zinc/72/60/06/1020726006.db2.gz YDBGSJRSIKIXCR-QFIPXVFZSA-N 2 1 343.559 3.856 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000276149280 1020740064 /nfs/dbraw/zinc/74/00/64/1020740064.db2.gz DQGFKORAHDKKFP-UHFFFAOYSA-N 2 1 325.378 3.821 20 0 EHADMP Brc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000091284524 1020823650 /nfs/dbraw/zinc/82/36/50/1020823650.db2.gz MQUDPTRDNUSGPH-SJKOYZFVSA-N 2 1 335.289 3.510 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430621055 1021193492 /nfs/dbraw/zinc/19/34/92/1021193492.db2.gz CVTREUMSTIDEBS-CQSZACIVSA-N 2 1 330.394 3.535 20 0 EHADMP CN(Cc1ccc(Sc2ccccn2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000507365983 1021220723 /nfs/dbraw/zinc/22/07/23/1021220723.db2.gz AUTMCOVYEVDQJY-HNNXBMFYSA-N 2 1 331.485 3.599 20 0 EHADMP C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000342402258 1021277967 /nfs/dbraw/zinc/27/79/67/1021277967.db2.gz CVYAJXWCRVRMRQ-ZACQAIPSSA-N 2 1 343.515 3.523 20 0 EHADMP c1cncc(-c2cccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)c1 ZINC000656784083 1021334833 /nfs/dbraw/zinc/33/48/33/1021334833.db2.gz CLKJGIZMIUQCLN-JOCHJYFZSA-N 2 1 335.495 3.960 20 0 EHADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000656792036 1021349285 /nfs/dbraw/zinc/34/92/85/1021349285.db2.gz PAEBKNYKMGVBAA-QFIPXVFZSA-N 2 1 335.495 3.553 20 0 EHADMP [NH3+]CC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000430652882 1021655883 /nfs/dbraw/zinc/65/58/83/1021655883.db2.gz XWYXMPHCKXFNLL-UHFFFAOYSA-N 2 1 335.904 3.558 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000516814813 1021749420 /nfs/dbraw/zinc/74/94/20/1021749420.db2.gz HRXTTYZRPMEFAS-KRWDZBQOSA-N 2 1 349.950 3.624 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414908090 1021940000 /nfs/dbraw/zinc/94/00/00/1021940000.db2.gz NWMODPYNJJDXKO-LJQANCHMSA-N 2 1 346.906 3.622 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564939 1021952104 /nfs/dbraw/zinc/95/21/04/1021952104.db2.gz BEAZIWDIVBXWJB-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564939 1021952112 /nfs/dbraw/zinc/95/21/12/1021952112.db2.gz BEAZIWDIVBXWJB-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000579220535 1022074917 /nfs/dbraw/zinc/07/49/17/1022074917.db2.gz GCLPIZKDEGFDDO-KRWDZBQOSA-N 2 1 344.547 3.546 20 0 EHADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)C(C)(C)C ZINC000440340133 1022114087 /nfs/dbraw/zinc/11/40/87/1022114087.db2.gz NRCSCIGUVFVHOM-MRXNPFEDSA-N 2 1 332.517 3.661 20 0 EHADMP CCc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2ccccc2[nH+]1 ZINC000123187515 1022335976 /nfs/dbraw/zinc/33/59/76/1022335976.db2.gz KLFFEFRBTATLFH-UHFFFAOYSA-N 2 1 332.451 3.514 20 0 EHADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCC(C)C ZINC000262038058 1022440044 /nfs/dbraw/zinc/44/00/44/1022440044.db2.gz OUPPIPSBMUZONS-UHFFFAOYSA-N 2 1 346.515 3.696 20 0 EHADMP Cc1cccc(N2CCC([NH2+]CCCCOc3ccccc3)CC2)[nH+]1 ZINC000438194750 1022465465 /nfs/dbraw/zinc/46/54/65/1022465465.db2.gz XODFWFHQGWXWAB-UHFFFAOYSA-N 2 1 339.483 3.808 20 0 EHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000124513249 1022520269 /nfs/dbraw/zinc/52/02/69/1022520269.db2.gz TWEAUQWKZVCCCO-AWEZNQCLSA-N 2 1 335.373 3.928 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602664205 1033062680 /nfs/dbraw/zinc/06/26/80/1033062680.db2.gz UUBUJRONQONVGG-IEBWSBKVSA-N 2 1 344.499 3.533 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602664205 1033062663 /nfs/dbraw/zinc/06/26/63/1033062663.db2.gz UUBUJRONQONVGG-IEBWSBKVSA-N 2 1 344.499 3.533 20 0 EHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000430741492 1022642712 /nfs/dbraw/zinc/64/27/12/1022642712.db2.gz JDEAQIVMMANEDC-NLEAXPPASA-N 2 1 330.516 3.558 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414930402 1022666016 /nfs/dbraw/zinc/66/60/16/1022666016.db2.gz ATOHOEKLHAJBFS-OCCSQVGLSA-N 2 1 327.453 3.644 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000126022727 1022747095 /nfs/dbraw/zinc/74/70/95/1022747095.db2.gz XAWJXSKWFXQGJQ-LLVKDONJSA-N 2 1 331.685 3.663 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000126022974 1022747732 /nfs/dbraw/zinc/74/77/32/1022747732.db2.gz XAWJXSKWFXQGJQ-NSHDSACASA-N 2 1 331.685 3.663 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833605 1022748398 /nfs/dbraw/zinc/74/83/98/1022748398.db2.gz RBDRXMJNZRYMGW-PKOBYXMFSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833605 1022748411 /nfs/dbraw/zinc/74/84/11/1022748411.db2.gz RBDRXMJNZRYMGW-PKOBYXMFSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833605 1022748427 /nfs/dbraw/zinc/74/84/27/1022748427.db2.gz RBDRXMJNZRYMGW-PKOBYXMFSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833605 1022748446 /nfs/dbraw/zinc/74/84/46/1022748446.db2.gz RBDRXMJNZRYMGW-PKOBYXMFSA-N 2 1 346.515 3.703 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167982032 1022788147 /nfs/dbraw/zinc/78/81/47/1022788147.db2.gz UCIZULUEHGRZEW-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccn1 ZINC001167982032 1022788162 /nfs/dbraw/zinc/78/81/62/1022788162.db2.gz UCIZULUEHGRZEW-MQVJKMGUSA-N 2 1 339.405 3.595 20 0 EHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)cc1 ZINC000430930200 1022889471 /nfs/dbraw/zinc/88/94/71/1022889471.db2.gz XGGDBCLZZDFEMQ-CQSZACIVSA-N 2 1 330.501 3.754 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341661157 1022909298 /nfs/dbraw/zinc/90/92/98/1022909298.db2.gz TXSWXMFYONYRDS-SUMWQHHRSA-N 2 1 333.863 3.985 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341679045 1022968243 /nfs/dbraw/zinc/96/82/43/1022968243.db2.gz AAVDLMGTRYVKLH-GQIGUUNPSA-N 2 1 334.479 3.682 20 0 EHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000510721716 1022997041 /nfs/dbraw/zinc/99/70/41/1022997041.db2.gz ZVRDQYREMNMQLR-AWEZNQCLSA-N 2 1 326.406 3.878 20 0 EHADMP Cc1cccc(N2CCC([NH2+]Cc3ccc(Cl)cc3F)CC2)[nH+]1 ZINC000189347238 1023011731 /nfs/dbraw/zinc/01/17/31/1023011731.db2.gz IEFJVJJYXHUOKN-UHFFFAOYSA-N 2 1 333.838 3.941 20 0 EHADMP CCCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1OC ZINC000518269979 1023178065 /nfs/dbraw/zinc/17/80/65/1023178065.db2.gz OFXGDLGSUHVCRN-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP CCCOc1cc(CNCCC[N@H+]2CCCC[C@H]2C)ccc1OC ZINC000518269979 1023178053 /nfs/dbraw/zinc/17/80/53/1023178053.db2.gz OFXGDLGSUHVCRN-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP CCCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1OC ZINC000518269979 1023178058 /nfs/dbraw/zinc/17/80/58/1023178058.db2.gz OFXGDLGSUHVCRN-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000438998510 1023211420 /nfs/dbraw/zinc/21/14/20/1023211420.db2.gz JJLHNYLMRCJKLB-INIZCTEOSA-N 2 1 349.519 3.813 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000507342930 1023258200 /nfs/dbraw/zinc/25/82/00/1023258200.db2.gz RSVZVZUQRSFPHX-UHFFFAOYSA-N 2 1 334.504 3.659 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1nccn1C ZINC000341755784 1023264281 /nfs/dbraw/zinc/26/42/81/1023264281.db2.gz AJBZSRNULLLQNO-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1nccn1C ZINC000341755784 1023264284 /nfs/dbraw/zinc/26/42/84/1023264284.db2.gz AJBZSRNULLLQNO-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000276872882 1023271627 /nfs/dbraw/zinc/27/16/27/1023271627.db2.gz CWDNWANOQJOPAC-UHFFFAOYSA-N 2 1 342.668 3.787 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCOC1 ZINC000510962039 1023539053 /nfs/dbraw/zinc/53/90/53/1023539053.db2.gz YQMLQCLLOCMJOA-SXLOBPIMSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCOC1 ZINC000510962039 1023539059 /nfs/dbraw/zinc/53/90/59/1023539059.db2.gz YQMLQCLLOCMJOA-SXLOBPIMSA-N 2 1 330.516 3.692 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449759255 1033152255 /nfs/dbraw/zinc/15/22/55/1033152255.db2.gz JFQGXWYJKMQPRZ-GFOJFJKKSA-N 2 1 330.516 3.977 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449759255 1033152260 /nfs/dbraw/zinc/15/22/60/1033152260.db2.gz JFQGXWYJKMQPRZ-GFOJFJKKSA-N 2 1 330.516 3.977 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]21 ZINC000342082387 1023890889 /nfs/dbraw/zinc/89/08/89/1023890889.db2.gz IQIOVWNOJVGWNV-XOKHGSTOSA-N 2 1 331.847 3.554 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C2 ZINC000474064661 1023979770 /nfs/dbraw/zinc/97/97/70/1023979770.db2.gz JRMAGGLUBMZXRG-BHDDXSALSA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C2 ZINC000474064661 1023979784 /nfs/dbraw/zinc/97/97/84/1023979784.db2.gz JRMAGGLUBMZXRG-BHDDXSALSA-N 2 1 342.527 3.620 20 0 EHADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)n1 ZINC000133834276 1024024865 /nfs/dbraw/zinc/02/48/65/1024024865.db2.gz FLAUFASUWATRAD-WOJBJXKFSA-N 2 1 336.483 3.584 20 0 EHADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000133834276 1024024884 /nfs/dbraw/zinc/02/48/84/1024024884.db2.gz FLAUFASUWATRAD-WOJBJXKFSA-N 2 1 336.483 3.584 20 0 EHADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000133834276 1024024900 /nfs/dbraw/zinc/02/49/00/1024024900.db2.gz FLAUFASUWATRAD-WOJBJXKFSA-N 2 1 336.483 3.584 20 0 EHADMP C[C@H]1C(=O)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C12CCCC2 ZINC001168002144 1024025858 /nfs/dbraw/zinc/02/58/58/1024025858.db2.gz NRGYGHIUZUCBPM-UBLGTCEWSA-N 2 1 330.516 3.616 20 0 EHADMP C[C@H]1C(=O)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C12CCCC2 ZINC001168002144 1024025872 /nfs/dbraw/zinc/02/58/72/1024025872.db2.gz NRGYGHIUZUCBPM-UBLGTCEWSA-N 2 1 330.516 3.616 20 0 EHADMP C[C@H]1C(=O)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C12CCCC2 ZINC001168002144 1024025888 /nfs/dbraw/zinc/02/58/88/1024025888.db2.gz NRGYGHIUZUCBPM-UBLGTCEWSA-N 2 1 330.516 3.616 20 0 EHADMP C[C@H]1C(=O)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C12CCCC2 ZINC001168002144 1024025908 /nfs/dbraw/zinc/02/59/08/1024025908.db2.gz NRGYGHIUZUCBPM-UBLGTCEWSA-N 2 1 330.516 3.616 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC000441538355 1024049366 /nfs/dbraw/zinc/04/93/66/1024049366.db2.gz ZJOGPDACYKKTQO-HXUWFJFHSA-N 2 1 342.527 3.608 20 0 EHADMP COc1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1OC ZINC001168002999 1024096726 /nfs/dbraw/zinc/09/67/26/1024096726.db2.gz GXXBWPCYMLJGGU-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342113976 1024100555 /nfs/dbraw/zinc/10/05/55/1024100555.db2.gz WMTFVADNHUKECF-RRQGHBQHSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342113976 1024100560 /nfs/dbraw/zinc/10/05/60/1024100560.db2.gz WMTFVADNHUKECF-RRQGHBQHSA-N 2 1 331.460 3.508 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000514086971 1024119868 /nfs/dbraw/zinc/11/98/68/1024119868.db2.gz DXBYNNAGJWLTKX-JYJNAYRXSA-N 2 1 328.378 3.548 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475034016 1024175506 /nfs/dbraw/zinc/17/55/06/1024175506.db2.gz LUIUTGWLWDCABK-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475034016 1024175513 /nfs/dbraw/zinc/17/55/13/1024175513.db2.gz LUIUTGWLWDCABK-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034016 1024175517 /nfs/dbraw/zinc/17/55/17/1024175517.db2.gz LUIUTGWLWDCABK-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034016 1024175523 /nfs/dbraw/zinc/17/55/23/1024175523.db2.gz LUIUTGWLWDCABK-BVYCBKJFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475034018 1024175569 /nfs/dbraw/zinc/17/55/69/1024175569.db2.gz LUIUTGWLWDCABK-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475034018 1024175580 /nfs/dbraw/zinc/17/55/80/1024175580.db2.gz LUIUTGWLWDCABK-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034018 1024175590 /nfs/dbraw/zinc/17/55/90/1024175590.db2.gz LUIUTGWLWDCABK-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034018 1024175599 /nfs/dbraw/zinc/17/55/99/1024175599.db2.gz LUIUTGWLWDCABK-QIJUGHKUSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000514220939 1024231917 /nfs/dbraw/zinc/23/19/17/1024231917.db2.gz DDSDIFARDLUCDE-PGRDOPGGSA-N 2 1 337.511 3.753 20 0 EHADMP Cc1noc(C)c1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000281100329 1024288026 /nfs/dbraw/zinc/28/80/26/1024288026.db2.gz VXDHWTQOKVPDAF-UHFFFAOYSA-N 2 1 341.499 3.867 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000443651483 1024338081 /nfs/dbraw/zinc/33/80/81/1024338081.db2.gz FBSLEHGMTLKNQQ-HNNXBMFYSA-N 2 1 326.406 3.932 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCC(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025879 1024392795 /nfs/dbraw/zinc/39/27/95/1024392795.db2.gz KEYXNBGFUFNSII-QUEGATJQSA-N 2 1 344.543 3.959 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)cc1 ZINC000166675065 1024452762 /nfs/dbraw/zinc/45/27/62/1024452762.db2.gz KRUUMPJQSLLRQF-KBPBESRZSA-N 2 1 335.455 3.999 20 0 EHADMP COc1cccc([C@@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000346169824 1024485030 /nfs/dbraw/zinc/48/50/30/1024485030.db2.gz KMHAEUWIRWABLS-NRFANRHFSA-N 2 1 348.450 3.921 20 0 EHADMP Cc1nn(-c2ccncc2)cc1CN(C)Cc1ccccc1Cl ZINC000346176173 1024490333 /nfs/dbraw/zinc/49/03/33/1024490333.db2.gz NWPUHIVWSHMABK-UHFFFAOYSA-N 2 1 326.831 3.861 20 0 EHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346196453 1024518049 /nfs/dbraw/zinc/51/80/49/1024518049.db2.gz ZJMHVYKVKYCJQX-ZWKOTPCHSA-N 2 1 330.501 3.682 20 0 EHADMP COc1ccc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1C ZINC000346198843 1024520922 /nfs/dbraw/zinc/52/09/22/1024520922.db2.gz FNMAECRRHLEJDH-UHFFFAOYSA-N 2 1 336.439 3.525 20 0 EHADMP C[C@H]1CC([NH2+]Cc2cccc3ccnn32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168029064 1024528712 /nfs/dbraw/zinc/52/87/12/1024528712.db2.gz SDWYUMDEQLMYJB-ROUUACIJSA-N 2 1 348.494 3.866 20 0 EHADMP COc1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1C)[C@@H](c1ccccc1)C2 ZINC000346281264 1024599409 /nfs/dbraw/zinc/59/94/09/1024599409.db2.gz SSCLSNQUBXGEFG-JOCHJYFZSA-N 2 1 347.462 4.000 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1C)[C@@H](c1ccccc1)C2 ZINC000346281264 1024599419 /nfs/dbraw/zinc/59/94/19/1024599419.db2.gz SSCLSNQUBXGEFG-JOCHJYFZSA-N 2 1 347.462 4.000 20 0 EHADMP CCC(CC)[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000507878464 1024745668 /nfs/dbraw/zinc/74/56/68/1024745668.db2.gz PBHKGCGVJBBHLW-ABHNRTSZSA-N 2 1 340.552 3.843 20 0 EHADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cn1 ZINC000427814990 1024799750 /nfs/dbraw/zinc/79/97/50/1024799750.db2.gz FFWHKSSEFLLNRC-GOSISDBHSA-N 2 1 338.499 3.868 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H]2CCC[C@H]21 ZINC000514878235 1024822224 /nfs/dbraw/zinc/82/22/24/1024822224.db2.gz VAPOEQPDGNTSRW-PWRODBHTSA-N 2 1 342.527 3.788 20 0 EHADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(-c2ccccc2)cc1OC ZINC000435371416 1024856259 /nfs/dbraw/zinc/85/62/59/1024856259.db2.gz MZOPEHDCICNCJW-UHFFFAOYSA-N 2 1 340.467 3.555 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH+]1CCC([NH3+])CC1 ZINC000435379390 1024860543 /nfs/dbraw/zinc/86/05/43/1024860543.db2.gz BWDRDYYMNAEDGH-UHFFFAOYSA-N 2 1 346.478 3.771 20 0 EHADMP COCc1csc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000657308991 1024910090 /nfs/dbraw/zinc/91/00/90/1024910090.db2.gz FNWPBKCQXGAWPP-UHFFFAOYSA-N 2 1 344.524 3.691 20 0 EHADMP Cc1ncccc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421893 1024910649 /nfs/dbraw/zinc/91/06/49/1024910649.db2.gz LLMFDOBRZSQFNA-SFHVURJKSA-N 2 1 327.497 3.596 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000281335475 1024910938 /nfs/dbraw/zinc/91/09/38/1024910938.db2.gz UFQWEJPUZKHMHN-ZFWWWQNUSA-N 2 1 326.406 3.710 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)nc1 ZINC000435429031 1024918385 /nfs/dbraw/zinc/91/83/85/1024918385.db2.gz UPMSIBZCFQTVGY-SFHVURJKSA-N 2 1 327.497 3.596 20 0 EHADMP C[C@@H]1C[C@@H](n2c(C[NH3+])nc3cnccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034210 1024921301 /nfs/dbraw/zinc/92/13/01/1024921301.db2.gz OPHRBKUENQLLOZ-ALXJQNPVSA-N 2 1 349.482 3.504 20 0 EHADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038795 1024942313 /nfs/dbraw/zinc/94/23/13/1024942313.db2.gz ZBYPTLPCAQHXIW-GOEBONIOSA-N 2 1 342.405 3.548 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)c3cnc(C)cn3)C2)s1 ZINC000563217407 1024953609 /nfs/dbraw/zinc/95/36/09/1024953609.db2.gz OSLDBWUZDNWWGP-SJORKVTESA-N 2 1 344.528 3.670 20 0 EHADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000665254789 1024964836 /nfs/dbraw/zinc/96/48/36/1024964836.db2.gz ZRWSPEIWDSWIOL-PMACEKPBSA-N 2 1 346.490 3.600 20 0 EHADMP CC(C)OC1CC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000428097048 1024978733 /nfs/dbraw/zinc/97/87/33/1024978733.db2.gz CINRCOUIXPVJNU-GJHJYOIJSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157661436 1025005540 /nfs/dbraw/zinc/00/55/40/1025005540.db2.gz CVJPOTZMWLDBRK-WNYOCNMUSA-N 2 1 325.456 3.789 20 0 EHADMP CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435618731 1025036121 /nfs/dbraw/zinc/03/61/21/1025036121.db2.gz ZYFBZACRKKNWNE-MRXNPFEDSA-N 2 1 333.863 3.959 20 0 EHADMP CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435618731 1025036127 /nfs/dbraw/zinc/03/61/27/1025036127.db2.gz ZYFBZACRKKNWNE-MRXNPFEDSA-N 2 1 333.863 3.959 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000281465871 1025073314 /nfs/dbraw/zinc/07/33/14/1025073314.db2.gz FADUFXUJSZQHDQ-ZFWWWQNUSA-N 2 1 337.389 3.685 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000277461431 1025184621 /nfs/dbraw/zinc/18/46/21/1025184621.db2.gz LKEDFZLJXFIUCB-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000277461431 1025184629 /nfs/dbraw/zinc/18/46/29/1025184629.db2.gz LKEDFZLJXFIUCB-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116396248 1025267352 /nfs/dbraw/zinc/26/73/52/1025267352.db2.gz FUJDMIZNYQPHOQ-FUHWJXTLSA-N 2 1 333.520 3.586 20 0 EHADMP Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000116396418 1025267507 /nfs/dbraw/zinc/26/75/07/1025267507.db2.gz ZMOSDOLIBKUWBF-AEFFLSMTSA-N 2 1 333.520 3.586 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000515490876 1025299708 /nfs/dbraw/zinc/29/97/08/1025299708.db2.gz UHNHTYBSVIUKMI-IXDOHACOSA-N 2 1 334.504 3.810 20 0 EHADMP COc1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960153 1025325574 /nfs/dbraw/zinc/32/55/74/1025325574.db2.gz WODRYASFHJOIBN-UDEWTMQYSA-N 2 1 340.511 3.548 20 0 EHADMP CC(C)O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000428252155 1025336152 /nfs/dbraw/zinc/33/61/52/1025336152.db2.gz FNXVWPISIFCXCC-PZJWPPBQSA-N 2 1 330.516 3.961 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CNCc2cc(F)ccc2OC(F)F)C1 ZINC000657348258 1025356582 /nfs/dbraw/zinc/35/65/82/1025356582.db2.gz PPMZFPDQCOZSAR-ZDUSSCGKSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657348258 1025356595 /nfs/dbraw/zinc/35/65/95/1025356595.db2.gz PPMZFPDQCOZSAR-ZDUSSCGKSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657348258 1025356610 /nfs/dbraw/zinc/35/66/10/1025356610.db2.gz PPMZFPDQCOZSAR-ZDUSSCGKSA-N 2 1 330.394 3.637 20 0 EHADMP Fc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000346993170 1025396586 /nfs/dbraw/zinc/39/65/86/1025396586.db2.gz YLWQRPAEVYSSMJ-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425482669 1025429816 /nfs/dbraw/zinc/42/98/16/1025429816.db2.gz TUDUWMDFDKPULV-GOSISDBHSA-N 2 1 349.519 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425482669 1025429822 /nfs/dbraw/zinc/42/98/22/1025429822.db2.gz TUDUWMDFDKPULV-GOSISDBHSA-N 2 1 349.519 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425482669 1025429826 /nfs/dbraw/zinc/42/98/26/1025429826.db2.gz TUDUWMDFDKPULV-GOSISDBHSA-N 2 1 349.519 3.948 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000347059467 1025456381 /nfs/dbraw/zinc/45/63/81/1025456381.db2.gz XDDCSJPICHNXKV-FUHWJXTLSA-N 2 1 325.456 3.742 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2cnn3ccccc23)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041586 1025461437 /nfs/dbraw/zinc/46/14/37/1025461437.db2.gz TXTBVHQCWCPIJY-QZTJIDSGSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192637801 1025478217 /nfs/dbraw/zinc/47/82/17/1025478217.db2.gz OZXPSLYPYZQSPD-FXAWDEMLSA-N 2 1 342.527 3.797 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@H](C)[C@](C)(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041811 1025504623 /nfs/dbraw/zinc/50/46/23/1025504623.db2.gz VTAYSUVXCACSCQ-JZJXAQOMSA-N 2 1 344.543 3.911 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(cccc3C)[nH]2)[C@H](C)C1 ZINC000657364089 1025518671 /nfs/dbraw/zinc/51/86/71/1025518671.db2.gz SHEAPBXYVAKACZ-YLJYHZDGSA-N 2 1 343.515 3.703 20 0 EHADMP Clc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000530238190 1025528479 /nfs/dbraw/zinc/52/84/79/1025528479.db2.gz LIMIKWWIJDXBHW-INIZCTEOSA-N 2 1 343.298 3.584 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436284244 1025531758 /nfs/dbraw/zinc/53/17/58/1025531758.db2.gz XWSZONBZLDENGX-HUUCEWRRSA-N 2 1 332.517 3.596 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](O)(CF)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042277 1025536601 /nfs/dbraw/zinc/53/66/01/1025536601.db2.gz YQKASXAPDCDAJB-DBXWQHBBSA-N 2 1 348.506 3.615 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccncc3s2)[C@H](C)C1 ZINC000657364450 1025545368 /nfs/dbraw/zinc/54/53/68/1025545368.db2.gz VQPCGMUICGTJNM-QAPCUYQASA-N 2 1 347.528 3.523 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000347229234 1025696467 /nfs/dbraw/zinc/69/64/67/1025696467.db2.gz KPMRKFRJCQTKTH-BBWFWOEESA-N 2 1 331.504 3.728 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000443100501 1025727786 /nfs/dbraw/zinc/72/77/86/1025727786.db2.gz ABLGYJJHUZAMEF-MLGOLLRUSA-N 2 1 344.396 3.806 20 0 EHADMP C[N@H+]1CCC[C@H]1CCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451299045 1025785512 /nfs/dbraw/zinc/78/55/12/1025785512.db2.gz YRCFDLGCPGMYIL-ZDUSSCGKSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451299045 1025785530 /nfs/dbraw/zinc/78/55/30/1025785530.db2.gz YRCFDLGCPGMYIL-ZDUSSCGKSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451299045 1025785557 /nfs/dbraw/zinc/78/55/57/1025785557.db2.gz YRCFDLGCPGMYIL-ZDUSSCGKSA-N 2 1 347.450 3.826 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307151 1025806298 /nfs/dbraw/zinc/80/62/98/1025806298.db2.gz WTJLKHLHYOMBPL-MFNRNEDNSA-N 2 1 326.406 3.828 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307151 1025806318 /nfs/dbraw/zinc/80/63/18/1025806318.db2.gz WTJLKHLHYOMBPL-MFNRNEDNSA-N 2 1 326.406 3.828 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000347286650 1025813701 /nfs/dbraw/zinc/81/37/01/1025813701.db2.gz GLLAFDTUAHBMFX-SMDDNHRTSA-N 2 1 343.334 3.916 20 0 EHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000474939644 1025899826 /nfs/dbraw/zinc/89/98/26/1025899826.db2.gz BGSSNRGKOJORSV-UIFIKXQLSA-N 2 1 330.516 3.558 20 0 EHADMP CC[N@@H+](C)C1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056251 1026170356 /nfs/dbraw/zinc/17/03/56/1026170356.db2.gz DWXUAVWRIDHIPG-HATOLVCRSA-N 2 1 343.559 3.844 20 0 EHADMP CC[NH+](C)C1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056251 1026170363 /nfs/dbraw/zinc/17/03/63/1026170363.db2.gz DWXUAVWRIDHIPG-HATOLVCRSA-N 2 1 343.559 3.844 20 0 EHADMP CC[NH+](C)C1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056251 1026170369 /nfs/dbraw/zinc/17/03/69/1026170369.db2.gz DWXUAVWRIDHIPG-HATOLVCRSA-N 2 1 343.559 3.844 20 0 EHADMP CC[N@@H+](C)C1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056252 1026171194 /nfs/dbraw/zinc/17/11/94/1026171194.db2.gz DWXUAVWRIDHIPG-OALUTQOASA-N 2 1 343.559 3.844 20 0 EHADMP CCCCc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000122116034 1026244860 /nfs/dbraw/zinc/24/48/60/1026244860.db2.gz IDLCMBHXXZSGTM-UHFFFAOYSA-N 2 1 334.508 3.500 20 0 EHADMP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000475278358 1026429268 /nfs/dbraw/zinc/42/92/68/1026429268.db2.gz VJGBWMFPEZUJDA-RXVVDRJESA-N 2 1 330.516 3.551 20 0 EHADMP Fc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(F)c1F ZINC000192922701 1026640837 /nfs/dbraw/zinc/64/08/37/1026640837.db2.gz BDCUASGTNTYNMM-HNNXBMFYSA-N 2 1 334.385 3.716 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(F)c1F ZINC000192922701 1026640838 /nfs/dbraw/zinc/64/08/38/1026640838.db2.gz BDCUASGTNTYNMM-HNNXBMFYSA-N 2 1 334.385 3.716 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(F)c1F ZINC000192922701 1026640843 /nfs/dbraw/zinc/64/08/43/1026640843.db2.gz BDCUASGTNTYNMM-HNNXBMFYSA-N 2 1 334.385 3.716 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)c1OC ZINC000531191646 1026664247 /nfs/dbraw/zinc/66/42/47/1026664247.db2.gz QDNWRJNFDIPAJJ-ROUUACIJSA-N 2 1 334.504 3.694 20 0 EHADMP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301565463 1026856024 /nfs/dbraw/zinc/85/60/24/1026856024.db2.gz VLULCCNYFXPYPX-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301565463 1026856036 /nfs/dbraw/zinc/85/60/36/1026856036.db2.gz VLULCCNYFXPYPX-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000684966368 1026873269 /nfs/dbraw/zinc/87/32/69/1026873269.db2.gz DUDHMHHNBFMYDU-KRWDZBQOSA-N 2 1 334.504 3.790 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000684966368 1026873277 /nfs/dbraw/zinc/87/32/77/1026873277.db2.gz DUDHMHHNBFMYDU-KRWDZBQOSA-N 2 1 334.504 3.790 20 0 EHADMP COc1ccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193506995 1026888136 /nfs/dbraw/zinc/88/81/36/1026888136.db2.gz FIMKYVAITIKSEE-HTAPYJJXSA-N 2 1 336.479 3.859 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193506995 1026888142 /nfs/dbraw/zinc/88/81/42/1026888142.db2.gz FIMKYVAITIKSEE-HTAPYJJXSA-N 2 1 336.479 3.859 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000193506995 1026888151 /nfs/dbraw/zinc/88/81/51/1026888151.db2.gz FIMKYVAITIKSEE-HTAPYJJXSA-N 2 1 336.479 3.859 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000342770169 1026997990 /nfs/dbraw/zinc/99/79/90/1026997990.db2.gz WOZCRLPSEWUGKO-WBVHZDCISA-N 2 1 330.520 3.517 20 0 EHADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000342770169 1026997994 /nfs/dbraw/zinc/99/79/94/1026997994.db2.gz WOZCRLPSEWUGKO-WBVHZDCISA-N 2 1 330.520 3.517 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000123127641 1026999579 /nfs/dbraw/zinc/99/95/79/1026999579.db2.gz OIRJENBTHQUORV-UHFFFAOYSA-N 2 1 344.528 3.759 20 0 EHADMP Cc1ccc2[nH+]ccc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000302228736 1027098949 /nfs/dbraw/zinc/09/89/49/1027098949.db2.gz QYTDWVDFDKXYQK-LJQANCHMSA-N 2 1 347.462 3.722 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803658 1027126646 /nfs/dbraw/zinc/12/66/46/1027126646.db2.gz RKGFPDOHODCZTE-AEFFLSMTSA-N 2 1 332.488 3.619 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453064607 1027276163 /nfs/dbraw/zinc/27/61/63/1027276163.db2.gz UAVIGTNYURXMEQ-WMZOPIPTSA-N 2 1 335.561 3.694 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000273197963 1027308109 /nfs/dbraw/zinc/30/81/09/1027308109.db2.gz QYQZQIKNYXKPQX-XCJLJZCSSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000273197963 1027308124 /nfs/dbraw/zinc/30/81/24/1027308124.db2.gz QYQZQIKNYXKPQX-XCJLJZCSSA-N 2 1 330.516 3.834 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453099521 1027323365 /nfs/dbraw/zinc/32/33/65/1027323365.db2.gz WFZFYQFLZXHECD-RTBURBONSA-N 2 1 336.907 3.504 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453087651 1027345584 /nfs/dbraw/zinc/34/55/84/1027345584.db2.gz IVOGIZOQOSWVPQ-LJQANCHMSA-N 2 1 336.907 3.618 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H](C)CCCc3cccnc3)CC2)[nH+]1 ZINC000453118669 1027394341 /nfs/dbraw/zinc/39/43/41/1027394341.db2.gz JUDWVDXUTIVYRY-QGZVFWFLSA-N 2 1 338.499 3.755 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000420296353 1027435891 /nfs/dbraw/zinc/43/58/91/1027435891.db2.gz BMZOYUYLNWMQBR-KRWDZBQOSA-N 2 1 328.431 3.541 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000420296353 1027435897 /nfs/dbraw/zinc/43/58/97/1027435897.db2.gz BMZOYUYLNWMQBR-KRWDZBQOSA-N 2 1 328.431 3.541 20 0 EHADMP C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC([NH3+])C1 ZINC000420323283 1027449661 /nfs/dbraw/zinc/44/96/61/1027449661.db2.gz BGBMLKSPPOMKSH-UHFFFAOYSA-N 2 1 346.887 3.638 20 0 EHADMP C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC([NH3+])C1 ZINC000420323283 1027449673 /nfs/dbraw/zinc/44/96/73/1027449673.db2.gz BGBMLKSPPOMKSH-UHFFFAOYSA-N 2 1 346.887 3.638 20 0 EHADMP FC1(F)CCC[C@@H](C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1 ZINC000420309029 1027456502 /nfs/dbraw/zinc/45/65/02/1027456502.db2.gz LCNBIOYJVQEPKL-SJLPKXTDSA-N 2 1 337.458 3.851 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000420311153 1027457110 /nfs/dbraw/zinc/45/71/10/1027457110.db2.gz NJDFZUWHEANFTE-OALUTQOASA-N 2 1 339.483 3.724 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000420311153 1027457118 /nfs/dbraw/zinc/45/71/18/1027457118.db2.gz NJDFZUWHEANFTE-OALUTQOASA-N 2 1 339.483 3.724 20 0 EHADMP Fc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313715 1027459842 /nfs/dbraw/zinc/45/98/42/1027459842.db2.gz JIJSMHGAXRQLEB-DNVCBOLYSA-N 2 1 342.462 3.742 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2nc(C)cs2)cc1 ZINC000420316222 1027462421 /nfs/dbraw/zinc/46/24/21/1027462421.db2.gz LUBNAJWDDSAYRL-FUHWJXTLSA-N 2 1 345.512 3.730 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2nc(C)cs2)cc1 ZINC000420316222 1027462429 /nfs/dbraw/zinc/46/24/29/1027462429.db2.gz LUBNAJWDDSAYRL-FUHWJXTLSA-N 2 1 345.512 3.730 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319052 1027466886 /nfs/dbraw/zinc/46/68/86/1027466886.db2.gz OUMHDEMKWLLZPE-XFQAVAEZSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000420319052 1027466889 /nfs/dbraw/zinc/46/68/89/1027466889.db2.gz OUMHDEMKWLLZPE-XFQAVAEZSA-N 2 1 347.462 3.761 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000420324986 1027479055 /nfs/dbraw/zinc/47/90/55/1027479055.db2.gz VWWCGQOWTKRGMJ-NQIIRXRSSA-N 2 1 340.467 3.583 20 0 EHADMP CCC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420369360 1027493884 /nfs/dbraw/zinc/49/38/84/1027493884.db2.gz ISBSCDUXJXMPLX-QGZVFWFLSA-N 2 1 331.504 3.505 20 0 EHADMP Clc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000420409208 1027525814 /nfs/dbraw/zinc/52/58/14/1027525814.db2.gz WSPGSZBDEACXAQ-KDOFPFPSSA-N 2 1 329.875 3.852 20 0 EHADMP CC[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000657597013 1027558921 /nfs/dbraw/zinc/55/89/21/1027558921.db2.gz QPXYBSHPASMDIQ-UNMCSNQZSA-N 2 1 338.495 3.537 20 0 EHADMP CC(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657594928 1027567643 /nfs/dbraw/zinc/56/76/43/1027567643.db2.gz LFBWTBHPULMOBL-JOCHJYFZSA-N 2 1 338.495 3.666 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414662350 1027749392 /nfs/dbraw/zinc/74/93/92/1027749392.db2.gz PXZLSMRBDDCRDZ-NLOMCHEHSA-N 2 1 336.479 3.948 20 0 EHADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OCc1cccs1 ZINC000065981537 1027756009 /nfs/dbraw/zinc/75/60/09/1027756009.db2.gz UICWMMFUTBYRGD-OAHLLOKOSA-N 2 1 348.512 3.766 20 0 EHADMP Cc1cc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000282011711 1027772536 /nfs/dbraw/zinc/77/25/36/1027772536.db2.gz DODAXEXXYGGHOW-SJLPKXTDSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000282011711 1027772548 /nfs/dbraw/zinc/77/25/48/1027772548.db2.gz DODAXEXXYGGHOW-SJLPKXTDSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000282011711 1027772559 /nfs/dbraw/zinc/77/25/59/1027772559.db2.gz DODAXEXXYGGHOW-SJLPKXTDSA-N 2 1 340.515 3.811 20 0 EHADMP C[C@H]([NH2+]CC1(c2ccccc2Br)CC1)c1c[nH+]ccc1N ZINC000422781081 1027935189 /nfs/dbraw/zinc/93/51/89/1027935189.db2.gz KHLDWXJIJMHZIG-LBPRGKRZSA-N 2 1 346.272 3.639 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)s2)cs1 ZINC000422798536 1027952179 /nfs/dbraw/zinc/95/21/79/1027952179.db2.gz RPZYSHSBVFOIFJ-DOMZBBRYSA-N 2 1 335.542 3.843 20 0 EHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414694955 1027965836 /nfs/dbraw/zinc/96/58/36/1027965836.db2.gz OJBGRXWRAZJBGX-BXWFABGCSA-N 2 1 326.488 3.581 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825130 1027967614 /nfs/dbraw/zinc/96/76/14/1027967614.db2.gz JAPNEPXHVLXADT-MBDNFAEBSA-N 2 1 341.543 3.642 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825128 1027967931 /nfs/dbraw/zinc/96/79/31/1027967931.db2.gz JAPNEPXHVLXADT-CBPXPLCBSA-N 2 1 341.543 3.642 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422839867 1027982190 /nfs/dbraw/zinc/98/21/90/1027982190.db2.gz AKPOGUQAIQDFMM-MORSLUCNSA-N 2 1 330.472 3.911 20 0 EHADMP COc1cccc(C([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2cccc(OC)c2)c1 ZINC000422817915 1027983634 /nfs/dbraw/zinc/98/36/34/1027983634.db2.gz FGHFQXHBNGFWDL-CABCVRRESA-N 2 1 328.456 3.509 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422883988 1028015581 /nfs/dbraw/zinc/01/55/81/1028015581.db2.gz DJZWLAJXQYCTIS-JCMXLGDNSA-N 2 1 349.522 3.877 20 0 EHADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422888881 1028023053 /nfs/dbraw/zinc/02/30/53/1028023053.db2.gz DVKHKBZUAKTFMS-ABSDTBQOSA-N 2 1 345.531 3.615 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])c[nH]c21 ZINC000422912202 1028043227 /nfs/dbraw/zinc/04/32/27/1028043227.db2.gz MOYHTASAOAQLJP-IERDGZPVSA-N 2 1 335.495 3.821 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422915197 1028048987 /nfs/dbraw/zinc/04/89/87/1028048987.db2.gz XOGYKEFLDSGDKP-AVRDEDQJSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422915197 1028049006 /nfs/dbraw/zinc/04/90/06/1028049006.db2.gz XOGYKEFLDSGDKP-AVRDEDQJSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422915197 1028049027 /nfs/dbraw/zinc/04/90/27/1028049027.db2.gz XOGYKEFLDSGDKP-AVRDEDQJSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422915197 1028049048 /nfs/dbraw/zinc/04/90/48/1028049048.db2.gz XOGYKEFLDSGDKP-AVRDEDQJSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422915197 1028049069 /nfs/dbraw/zinc/04/90/69/1028049069.db2.gz XOGYKEFLDSGDKP-AVRDEDQJSA-N 2 1 339.527 3.575 20 0 EHADMP Cc1sc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000422927961 1028058611 /nfs/dbraw/zinc/05/86/11/1028058611.db2.gz HYDBJOVRDQCMIN-RHSMWYFYSA-N 2 1 329.513 3.781 20 0 EHADMP CCOCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC1 ZINC000422937035 1028064175 /nfs/dbraw/zinc/06/41/75/1028064175.db2.gz JBGPFCRPMWVYTG-VQTJNVASSA-N 2 1 346.515 3.675 20 0 EHADMP Brc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000533534595 1028065842 /nfs/dbraw/zinc/06/58/42/1028065842.db2.gz SVSPUXLWIJZDFB-CRAIPNDOSA-N 2 1 349.316 3.898 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000502268872 1028066173 /nfs/dbraw/zinc/06/61/73/1028066173.db2.gz NPKAYFSQRVFUBM-QZTJIDSGSA-N 2 1 348.531 3.797 20 0 EHADMP Fc1ccccc1OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422940233 1028067258 /nfs/dbraw/zinc/06/72/58/1028067258.db2.gz SOSOUCCKOFOUOE-NHJHPMQKSA-N 2 1 340.442 3.818 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422940348 1028068661 /nfs/dbraw/zinc/06/86/61/1028068661.db2.gz NBDGDEODBBIZEO-DOPJRALCSA-N 2 1 326.440 3.889 20 0 EHADMP C[C@H](CCC[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414711696 1028125484 /nfs/dbraw/zinc/12/54/84/1028125484.db2.gz MJNXYLPXZDPZBD-MRXNPFEDSA-N 2 1 346.519 3.700 20 0 EHADMP C[C@@H]([NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000423015503 1028127125 /nfs/dbraw/zinc/12/71/25/1028127125.db2.gz RGTVRTMWNIILSE-WBMJQRKESA-N 2 1 335.904 3.736 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)c1 ZINC000339236867 1028183597 /nfs/dbraw/zinc/18/35/97/1028183597.db2.gz MWLYLXNYZOZNIX-KRWDZBQOSA-N 2 1 331.504 3.731 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CCC(CSC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423159964 1028235100 /nfs/dbraw/zinc/23/51/00/1028235100.db2.gz QDAGVJKSQDHPMJ-DGGFBBCUSA-N 2 1 348.556 4.000 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCCCC1 ZINC000423180413 1028251322 /nfs/dbraw/zinc/25/13/22/1028251322.db2.gz NOXRSCONSFMATC-NSHDSACASA-N 2 1 329.307 3.749 20 0 EHADMP C[C@@H](NCC1([NH3+])CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423198447 1028267927 /nfs/dbraw/zinc/26/79/27/1028267927.db2.gz FWTLVTCJNQCOJS-UYAOXDASSA-N 2 1 329.532 3.538 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000423205195 1028272308 /nfs/dbraw/zinc/27/23/08/1028272308.db2.gz BDKMASILHRUHTL-GRYCIOLGSA-N 2 1 332.822 3.980 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s2)cc1 ZINC000423264515 1028301125 /nfs/dbraw/zinc/30/11/25/1028301125.db2.gz CCXZYGCCMFUOHB-LRDDRELGSA-N 2 1 333.501 3.761 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1cc(C)c(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC000414730670 1028334426 /nfs/dbraw/zinc/33/44/26/1028334426.db2.gz SRVLNGBRPJXIFN-SFHVURJKSA-N 2 1 343.540 3.988 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1cc(C)c(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC000414730670 1028334444 /nfs/dbraw/zinc/33/44/44/1028334444.db2.gz SRVLNGBRPJXIFN-SFHVURJKSA-N 2 1 343.540 3.988 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C3CC3)s2)cc1 ZINC000423313153 1028347640 /nfs/dbraw/zinc/34/76/40/1028347640.db2.gz FFBXSBOPHNEAPR-BZNIZROVSA-N 2 1 331.485 3.515 20 0 EHADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(CSC)CC2)cc1 ZINC000423345664 1028359708 /nfs/dbraw/zinc/35/97/08/1028359708.db2.gz YAOFWMNKPZQXFH-LYBGUNNDSA-N 2 1 348.556 3.652 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000423324177 1028362950 /nfs/dbraw/zinc/36/29/50/1028362950.db2.gz KIZVMEUASLEZHC-CRAIPNDOSA-N 2 1 342.487 3.613 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CNCC[C@H]1c1ccc(OC)cc1)c1cccs1 ZINC000423332326 1028367219 /nfs/dbraw/zinc/36/72/19/1028367219.db2.gz NDWMTEARJDYCMY-OKZBNKHCSA-N 2 1 330.497 3.943 20 0 EHADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2([NH3+])CCC2)CCC3)cc1 ZINC000423329268 1028368058 /nfs/dbraw/zinc/36/80/58/1028368058.db2.gz ONXOBMRIYIGSPB-OAHLLOKOSA-N 2 1 327.497 3.967 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000161982739 1028401855 /nfs/dbraw/zinc/40/18/55/1028401855.db2.gz JGBDXHUIWGCVKH-MAAHGYRXSA-N 2 1 325.456 3.645 20 0 EHADMP O[C@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979653 1028402357 /nfs/dbraw/zinc/40/23/57/1028402357.db2.gz MBZQWFAKEAPMGT-WOJBJXKFSA-N 2 1 334.479 3.590 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423408103 1028425577 /nfs/dbraw/zinc/42/55/77/1028425577.db2.gz WXLHBVGZRZWHHD-ZMYBRWDISA-N 2 1 346.421 3.965 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423436525 1028444720 /nfs/dbraw/zinc/44/47/20/1028444720.db2.gz PSTZHDRLKALCQJ-RYFAJOAYSA-N 3 1 343.559 3.784 20 0 EHADMP CC(C)C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423503231 1028469276 /nfs/dbraw/zinc/46/92/76/1028469276.db2.gz FVTJIOXWPSXENQ-XVAXZDLZSA-N 2 1 329.532 3.580 20 0 EHADMP CSc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000414747630 1028474618 /nfs/dbraw/zinc/47/46/18/1028474618.db2.gz HIMGYSIUQXVFLQ-CQSZACIVSA-N 2 1 343.334 3.745 20 0 EHADMP CSc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000414747630 1028474626 /nfs/dbraw/zinc/47/46/26/1028474626.db2.gz HIMGYSIUQXVFLQ-CQSZACIVSA-N 2 1 343.334 3.745 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423494949 1028479629 /nfs/dbraw/zinc/47/96/29/1028479629.db2.gz SXGRLKUWKSWNJF-XJKSGUPXSA-N 2 1 331.287 3.659 20 0 EHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccccc2s1 ZINC000423510333 1028487431 /nfs/dbraw/zinc/48/74/31/1028487431.db2.gz NOSPFFLXCSYEFF-ZLPCBKJTSA-N 2 1 343.540 3.768 20 0 EHADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423521404 1028496370 /nfs/dbraw/zinc/49/63/70/1028496370.db2.gz STUOLVIFEBFEDN-UHFFFAOYSA-N 2 1 347.506 3.562 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072823584 1028521958 /nfs/dbraw/zinc/52/19/58/1028521958.db2.gz MZSQYCRCOVSGCO-FQEVSTJZSA-N 2 1 340.515 3.653 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072823584 1028521969 /nfs/dbraw/zinc/52/19/69/1028521969.db2.gz MZSQYCRCOVSGCO-FQEVSTJZSA-N 2 1 340.515 3.653 20 0 EHADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000195132689 1028582518 /nfs/dbraw/zinc/58/25/18/1028582518.db2.gz XWWUWBXZNOUXJS-PKOBYXMFSA-N 2 1 326.488 3.637 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H](C)C1 ZINC000247090483 1028742260 /nfs/dbraw/zinc/74/22/60/1028742260.db2.gz DSPULAOAJKTVQI-DKKFBQAASA-N 2 1 334.504 3.630 20 0 EHADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCCC(C)C ZINC000508528094 1028746862 /nfs/dbraw/zinc/74/68/62/1028746862.db2.gz KLJOHMWKLCJXOI-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCCC(C)C ZINC000508528094 1028746876 /nfs/dbraw/zinc/74/68/76/1028746876.db2.gz KLJOHMWKLCJXOI-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCCC(C)C ZINC000508528094 1028746900 /nfs/dbraw/zinc/74/69/00/1028746900.db2.gz KLJOHMWKLCJXOI-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCCC(C)C ZINC000508528094 1028746921 /nfs/dbraw/zinc/74/69/21/1028746921.db2.gz KLJOHMWKLCJXOI-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310234 1028775117 /nfs/dbraw/zinc/77/51/17/1028775117.db2.gz VIRVZZMITLEQJK-FGZHOGPDSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310234 1028775135 /nfs/dbraw/zinc/77/51/35/1028775135.db2.gz VIRVZZMITLEQJK-FGZHOGPDSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310234 1028775139 /nfs/dbraw/zinc/77/51/39/1028775139.db2.gz VIRVZZMITLEQJK-FGZHOGPDSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310234 1028775151 /nfs/dbraw/zinc/77/51/51/1028775151.db2.gz VIRVZZMITLEQJK-FGZHOGPDSA-N 2 1 335.495 3.611 20 0 EHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC000449560518 1028821025 /nfs/dbraw/zinc/82/10/25/1028821025.db2.gz MCYMRVREFLBXGN-RJCAOGMDSA-N 2 1 337.305 3.767 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776777 1028861755 /nfs/dbraw/zinc/86/17/55/1028861755.db2.gz HSHDWAKVPUHSGX-CVEARBPZSA-N 2 1 329.875 3.710 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414777122 1028868442 /nfs/dbraw/zinc/86/84/42/1028868442.db2.gz XQLQIFSEQAUNED-LCNJIBRGSA-N 2 1 348.490 3.963 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414777122 1028868461 /nfs/dbraw/zinc/86/84/61/1028868461.db2.gz XQLQIFSEQAUNED-LCNJIBRGSA-N 2 1 348.490 3.963 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)c3cccnc13)CC[NH2+]CC2 ZINC000424285947 1028929424 /nfs/dbraw/zinc/92/94/24/1028929424.db2.gz GLSJQXYSECRJHL-AWEZNQCLSA-N 2 1 329.875 3.852 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424296221 1028939137 /nfs/dbraw/zinc/93/91/37/1028939137.db2.gz FNFINAGDMMCDAN-NFOFIHSESA-N 2 1 342.527 3.690 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424296221 1028939152 /nfs/dbraw/zinc/93/91/52/1028939152.db2.gz FNFINAGDMMCDAN-NFOFIHSESA-N 2 1 342.527 3.690 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000248722891 1028942680 /nfs/dbraw/zinc/94/26/80/1028942680.db2.gz GUEIGCAIAMYVBJ-WZGPROSRSA-N 2 1 346.540 3.507 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)c1 ZINC000248722891 1028942693 /nfs/dbraw/zinc/94/26/93/1028942693.db2.gz GUEIGCAIAMYVBJ-WZGPROSRSA-N 2 1 346.540 3.507 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[C@H]1c1cccs1 ZINC000248737813 1028945049 /nfs/dbraw/zinc/94/50/49/1028945049.db2.gz PBOUCEIYZPPEHL-QWXYKEQDSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[C@H]1c1cccs1 ZINC000248737813 1028945068 /nfs/dbraw/zinc/94/50/68/1028945068.db2.gz PBOUCEIYZPPEHL-QWXYKEQDSA-N 2 1 346.540 3.678 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245664289 1028986216 /nfs/dbraw/zinc/98/62/16/1028986216.db2.gz GIKCSTBDZBWDMF-KJJMTIBFSA-N 2 1 344.543 3.816 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414786805 1029042215 /nfs/dbraw/zinc/04/22/15/1029042215.db2.gz UWKUINVGWNZOQU-ZIAGYGMSSA-N 2 1 344.833 3.763 20 0 EHADMP c1cc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790081 1029083747 /nfs/dbraw/zinc/08/37/47/1029083747.db2.gz ZKSARAGHQNEKQU-KGLIPLIRSA-N 2 1 333.526 3.693 20 0 EHADMP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237384862 1029108803 /nfs/dbraw/zinc/10/88/03/1029108803.db2.gz JUPQBZNOQFKAGC-KRWDZBQOSA-N 2 1 328.525 3.976 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000445811072 1029145790 /nfs/dbraw/zinc/14/57/90/1029145790.db2.gz OZUMJNRBJIQDTB-UHFFFAOYSA-N 2 1 342.886 3.802 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1 ZINC000271864858 1029206311 /nfs/dbraw/zinc/20/63/11/1029206311.db2.gz LHNRVFKICQYPMV-BEFAXECRSA-N 2 1 327.472 3.628 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001167659006 1029211075 /nfs/dbraw/zinc/21/10/75/1029211075.db2.gz MJQNGAKLQUZFIL-QMMLZNLJSA-N 2 1 334.548 3.921 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000414814587 1029339120 /nfs/dbraw/zinc/33/91/20/1029339120.db2.gz ODJHSZAUTCISCZ-NSHDSACASA-N 2 1 337.236 3.898 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897534554 1029413958 /nfs/dbraw/zinc/41/39/58/1029413958.db2.gz XJAASMRELHPDJW-UGESXGAOSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897534554 1029413960 /nfs/dbraw/zinc/41/39/60/1029413960.db2.gz XJAASMRELHPDJW-UGESXGAOSA-N 2 1 342.527 3.885 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000897536404 1029422231 /nfs/dbraw/zinc/42/22/31/1029422231.db2.gz LBBMUDPMSAFCKT-HZEGPAAWSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000897536404 1029422234 /nfs/dbraw/zinc/42/22/34/1029422234.db2.gz LBBMUDPMSAFCKT-HZEGPAAWSA-N 2 1 330.516 3.570 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000245887553 1029424394 /nfs/dbraw/zinc/42/43/94/1029424394.db2.gz ANNBDJGDZQHLPF-XMSQKQJNSA-N 2 1 337.511 3.613 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000162784614 1029437765 /nfs/dbraw/zinc/43/77/65/1029437765.db2.gz MYFGEJWMEYZFBU-HNNXBMFYSA-N 2 1 331.460 3.756 20 0 EHADMP FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459385004 1029440059 /nfs/dbraw/zinc/44/00/59/1029440059.db2.gz FAPUGCDGZTZATC-GOSISDBHSA-N 2 1 336.426 3.882 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552021 1029450720 /nfs/dbraw/zinc/45/07/20/1029450720.db2.gz LDKAKTWCIGUDKV-MYGLTJDJSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552021 1029450725 /nfs/dbraw/zinc/45/07/25/1029450725.db2.gz LDKAKTWCIGUDKV-MYGLTJDJSA-N 2 1 341.543 3.551 20 0 EHADMP [NH3+]C1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000414833392 1029483056 /nfs/dbraw/zinc/48/30/56/1029483056.db2.gz ATJDHUSGOKZFIX-UHFFFAOYSA-N 2 1 335.923 3.556 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720170 1029578748 /nfs/dbraw/zinc/57/87/48/1029578748.db2.gz XCDNEXJOZDPDBI-CEWLAPEOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000272720170 1029578757 /nfs/dbraw/zinc/57/87/57/1029578757.db2.gz XCDNEXJOZDPDBI-CEWLAPEOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000272720170 1029578761 /nfs/dbraw/zinc/57/87/61/1029578761.db2.gz XCDNEXJOZDPDBI-CEWLAPEOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272720170 1029578769 /nfs/dbraw/zinc/57/87/69/1029578769.db2.gz XCDNEXJOZDPDBI-CEWLAPEOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720170 1029578776 /nfs/dbraw/zinc/57/87/76/1029578776.db2.gz XCDNEXJOZDPDBI-CEWLAPEOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125954793 1029639103 /nfs/dbraw/zinc/63/91/03/1029639103.db2.gz QSIOYXAJSOCCFG-BJLQDIEVSA-N 2 1 340.515 3.847 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)CC1 ZINC000648586817 1029640500 /nfs/dbraw/zinc/64/05/00/1029640500.db2.gz IFSHLCDJCIKBKV-AWEZNQCLSA-N 2 1 333.863 3.645 20 0 EHADMP CSC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1 ZINC000359241591 1029712773 /nfs/dbraw/zinc/71/27/73/1029712773.db2.gz PDSMUHVDEZZOJY-HNNXBMFYSA-N 2 1 343.418 3.904 20 0 EHADMP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708753 1029771357 /nfs/dbraw/zinc/77/13/57/1029771357.db2.gz DGLOAVJODRIFEH-VXSCBNMQSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H](NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720003 1029816234 /nfs/dbraw/zinc/81/62/34/1029816234.db2.gz QXNWZHHSMWIGRJ-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558580 1029872495 /nfs/dbraw/zinc/87/24/95/1029872495.db2.gz KOCYJMGAQQDPGM-MDZLAQPJSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000156558580 1029872498 /nfs/dbraw/zinc/87/24/98/1029872498.db2.gz KOCYJMGAQQDPGM-MDZLAQPJSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccnc2ccc(Cl)cc21 ZINC000278271129 1029880975 /nfs/dbraw/zinc/88/09/75/1029880975.db2.gz AWQWUIVFWJMZBD-CQSZACIVSA-N 2 1 345.874 3.578 20 0 EHADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453212344 1029918082 /nfs/dbraw/zinc/91/80/82/1029918082.db2.gz OQSXKWCUWJLRGJ-MIUGBVLSSA-N 2 1 342.527 3.692 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453222508 1029937601 /nfs/dbraw/zinc/93/76/01/1029937601.db2.gz QLTHHANXYCKVOF-YRPNKDGESA-N 2 1 330.541 3.772 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)[C@@H]3CCC[C@@H]32)cc1 ZINC000453236724 1029960749 /nfs/dbraw/zinc/96/07/49/1029960749.db2.gz YVWLEVZGAIYFRG-NALHQMNBSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453276731 1030013298 /nfs/dbraw/zinc/01/32/98/1030013298.db2.gz MXXLEQLLEQGZGJ-ZHHKINOHSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707164 1030015457 /nfs/dbraw/zinc/01/54/57/1030015457.db2.gz ZYKUZUXFNDPXOU-YQQAZPJKSA-N 2 1 336.545 3.764 20 0 EHADMP CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453275401 1030059020 /nfs/dbraw/zinc/05/90/20/1030059020.db2.gz LTKMFSJQQKAJES-PCCBWWKXSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000090409326 1030113417 /nfs/dbraw/zinc/11/34/17/1030113417.db2.gz GBUUPDMTAAEMIS-ZDUSSCGKSA-N 2 1 348.516 3.619 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000525795464 1030124587 /nfs/dbraw/zinc/12/45/87/1030124587.db2.gz OQZOBPJMHXETGB-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000525795464 1030124593 /nfs/dbraw/zinc/12/45/93/1030124593.db2.gz OQZOBPJMHXETGB-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC(F)F)c1 ZINC000120950519 1030136414 /nfs/dbraw/zinc/13/64/14/1030136414.db2.gz QCJHTDNOPZUYMU-UHFFFAOYSA-N 2 1 342.430 3.695 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2sc(Br)cc21)C1CC1 ZINC000453387822 1030168663 /nfs/dbraw/zinc/16/86/63/1030168663.db2.gz BGTZXQILMWEUPU-CYBMUJFWSA-N 2 1 343.334 3.962 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000482033476 1030173459 /nfs/dbraw/zinc/17/34/59/1030173459.db2.gz OMMQPHRTQCXGCH-CZUORRHYSA-N 2 1 339.321 3.657 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000531976808 1030190511 /nfs/dbraw/zinc/19/05/11/1030190511.db2.gz PTBJYFPXUHTYMM-SESVDKBCSA-N 2 1 330.516 3.594 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000531976808 1030190525 /nfs/dbraw/zinc/19/05/25/1030190525.db2.gz PTBJYFPXUHTYMM-SESVDKBCSA-N 2 1 330.516 3.594 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000453375899 1030198112 /nfs/dbraw/zinc/19/81/12/1030198112.db2.gz PCPMQUUWYBJHIN-MWXLCCTBSA-N 2 1 330.516 3.836 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000090937028 1030198482 /nfs/dbraw/zinc/19/84/82/1030198482.db2.gz DWTAISZHBXOHTP-GOSISDBHSA-N 2 1 349.425 3.541 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000121223474 1030215151 /nfs/dbraw/zinc/21/51/51/1030215151.db2.gz YDTXGXOKCQEHDI-HOCLYGCPSA-N 2 1 326.431 3.541 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2ccc(Br)cc21)C1CC1 ZINC000453405859 1030217461 /nfs/dbraw/zinc/21/74/61/1030217461.db2.gz QPQTZLAYGWIVNF-KRWDZBQOSA-N 2 1 337.305 3.900 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000453407091 1030217636 /nfs/dbraw/zinc/21/76/36/1030217636.db2.gz DERDNCUFECPILE-ZDUSSCGKSA-N 2 1 325.294 3.974 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1C ZINC000482152190 1030229601 /nfs/dbraw/zinc/22/96/01/1030229601.db2.gz QKPXRUXVWZYCAZ-ICSRJNTNSA-N 2 1 345.531 3.732 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2C)cc1 ZINC000531995127 1030248306 /nfs/dbraw/zinc/24/83/06/1030248306.db2.gz ZTKRLDWDWNTENT-IIBYNOLFSA-N 2 1 335.451 3.873 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453420240 1030270663 /nfs/dbraw/zinc/27/06/63/1030270663.db2.gz WDGGXUMMOHKAJD-TZWRJOPASA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000482234293 1030277227 /nfs/dbraw/zinc/27/72/27/1030277227.db2.gz LPUJGPJEXUGILT-CZUORRHYSA-N 2 1 328.422 3.913 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000447557434 1030299791 /nfs/dbraw/zinc/29/97/91/1030299791.db2.gz LULMWFACBJIHAL-AVRDEDQJSA-N 2 1 349.522 3.961 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583666 1030316679 /nfs/dbraw/zinc/31/66/79/1030316679.db2.gz CCUAZDJZNNKDQD-SSSFQFABSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453449238 1030321677 /nfs/dbraw/zinc/32/16/77/1030321677.db2.gz ZSTPYCBSJAYCHI-RLLQIKCJSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000453449238 1030321694 /nfs/dbraw/zinc/32/16/94/1030321694.db2.gz ZSTPYCBSJAYCHI-RLLQIKCJSA-N 2 1 330.516 3.834 20 0 EHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000092720628 1030504077 /nfs/dbraw/zinc/50/40/77/1030504077.db2.gz STKHNHQRONMUNT-LSDHHAIUSA-N 2 1 339.549 3.556 20 0 EHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000092720628 1030504079 /nfs/dbraw/zinc/50/40/79/1030504079.db2.gz STKHNHQRONMUNT-LSDHHAIUSA-N 2 1 339.549 3.556 20 0 EHADMP CCCCc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000482559441 1030532250 /nfs/dbraw/zinc/53/22/50/1030532250.db2.gz XSETTYIABZJYPD-IBGZPJMESA-N 2 1 331.548 3.707 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482553984 1030539607 /nfs/dbraw/zinc/53/96/07/1030539607.db2.gz HGEDITGESLJJAL-OXQOHEQNSA-N 2 1 346.490 3.684 20 0 EHADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCC(C)C ZINC000093088592 1030558111 /nfs/dbraw/zinc/55/81/11/1030558111.db2.gz KPSILEHQECWZTJ-UHFFFAOYSA-N 2 1 334.504 3.504 20 0 EHADMP CCC[N@H+](Cc1ccco1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417520 1030609774 /nfs/dbraw/zinc/60/97/74/1030609774.db2.gz KAJUMNBQVQNEPC-UHFFFAOYSA-N 2 1 328.460 3.567 20 0 EHADMP CCC[N@@H+](Cc1ccco1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417520 1030609776 /nfs/dbraw/zinc/60/97/76/1030609776.db2.gz KAJUMNBQVQNEPC-UHFFFAOYSA-N 2 1 328.460 3.567 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659966 1030647643 /nfs/dbraw/zinc/64/76/43/1030647643.db2.gz UMQDGXJDHVBBTI-OAHLLOKOSA-N 2 1 348.441 3.661 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659966 1030647655 /nfs/dbraw/zinc/64/76/55/1030647655.db2.gz UMQDGXJDHVBBTI-OAHLLOKOSA-N 2 1 348.441 3.661 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659966 1030647666 /nfs/dbraw/zinc/64/76/66/1030647666.db2.gz UMQDGXJDHVBBTI-OAHLLOKOSA-N 2 1 348.441 3.661 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093659966 1030647676 /nfs/dbraw/zinc/64/76/76/1030647676.db2.gz UMQDGXJDHVBBTI-OAHLLOKOSA-N 2 1 348.441 3.661 20 0 EHADMP C[C@H]1C[C@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000482702547 1030654749 /nfs/dbraw/zinc/65/47/49/1030654749.db2.gz BNMPOKWKHNSICZ-RBBKRZOGSA-N 2 1 343.559 3.847 20 0 EHADMP CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945578 1030843146 /nfs/dbraw/zinc/84/31/46/1030843146.db2.gz HREYTWQPROPRNV-QUCCMNQESA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945578 1030843163 /nfs/dbraw/zinc/84/31/63/1030843163.db2.gz HREYTWQPROPRNV-QUCCMNQESA-N 2 1 347.547 3.542 20 0 EHADMP CCOc1cccc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)n1 ZINC000536140841 1030888670 /nfs/dbraw/zinc/88/86/70/1030888670.db2.gz NMAWYGWUAFTZOP-UHFFFAOYSA-N 2 1 345.531 3.814 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000157875325 1030926119 /nfs/dbraw/zinc/92/61/19/1030926119.db2.gz GWECDNRHRALLHM-IRXDYDNUSA-N 2 1 332.488 3.763 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C(C)(C)C)CC3)C2)CC1 ZINC000130419006 1030951890 /nfs/dbraw/zinc/95/18/90/1030951890.db2.gz ATJKYSIEJAVFCX-SOAGJPPSSA-N 2 1 335.580 3.551 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680925 1030966911 /nfs/dbraw/zinc/96/69/11/1030966911.db2.gz UYGBNMVOWLNIOO-UKRRQHHQSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680925 1030966921 /nfs/dbraw/zinc/96/69/21/1030966921.db2.gz UYGBNMVOWLNIOO-UKRRQHHQSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680925 1030966930 /nfs/dbraw/zinc/96/69/30/1030966930.db2.gz UYGBNMVOWLNIOO-UKRRQHHQSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)C[C@H]1C ZINC000537680925 1030966938 /nfs/dbraw/zinc/96/69/38/1030966938.db2.gz UYGBNMVOWLNIOO-UKRRQHHQSA-N 2 1 328.859 3.663 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278473999 1031013414 /nfs/dbraw/zinc/01/34/14/1031013414.db2.gz ODSRXACWUAWNBW-GHTZIAJQSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278473999 1031013431 /nfs/dbraw/zinc/01/34/31/1031013431.db2.gz ODSRXACWUAWNBW-GHTZIAJQSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527645902 1031074226 /nfs/dbraw/zinc/07/42/26/1031074226.db2.gz QJHDEYBQJSXGRH-CYBMUJFWSA-N 2 1 330.394 3.536 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527645902 1031074244 /nfs/dbraw/zinc/07/42/44/1031074244.db2.gz QJHDEYBQJSXGRH-CYBMUJFWSA-N 2 1 330.394 3.536 20 0 EHADMP Cc1ccccc1[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483268807 1031076586 /nfs/dbraw/zinc/07/65/86/1031076586.db2.gz LODKKJOYQGQOBU-OTWHNJEPSA-N 2 1 330.516 3.877 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527725442 1031153778 /nfs/dbraw/zinc/15/37/78/1031153778.db2.gz UCPDWCQPOAIHRX-WOJBJXKFSA-N 2 1 330.516 3.539 20 0 EHADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cscn1)CC2 ZINC001137592541 1031223010 /nfs/dbraw/zinc/22/30/10/1031223010.db2.gz RUAJKGWWGMGMAM-KRWDZBQOSA-N 2 1 331.485 3.613 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cscn1)CC2 ZINC001137592541 1031223026 /nfs/dbraw/zinc/22/30/26/1031223026.db2.gz RUAJKGWWGMGMAM-KRWDZBQOSA-N 2 1 331.485 3.613 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H]3CCSC3)cc2)CC1 ZINC000278534682 1031273452 /nfs/dbraw/zinc/27/34/52/1031273452.db2.gz SHHUTCTXVTUMFD-QGZVFWFLSA-N 2 1 333.545 3.630 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583994323 1031330249 /nfs/dbraw/zinc/33/02/49/1031330249.db2.gz XCDSTQIDNXBULM-IBGZPJMESA-N 2 1 328.500 3.590 20 0 EHADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583994323 1031330267 /nfs/dbraw/zinc/33/02/67/1031330267.db2.gz XCDSTQIDNXBULM-IBGZPJMESA-N 2 1 328.500 3.590 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483926840 1031394083 /nfs/dbraw/zinc/39/40/83/1031394083.db2.gz PPJCLWDMLPQHPQ-CQSZACIVSA-N 2 1 328.859 3.522 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483926840 1031394100 /nfs/dbraw/zinc/39/41/00/1031394100.db2.gz PPJCLWDMLPQHPQ-CQSZACIVSA-N 2 1 328.859 3.522 20 0 EHADMP Clc1sc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666993894 1031402324 /nfs/dbraw/zinc/40/23/24/1031402324.db2.gz RMNKJGIFTZRROQ-VIFPVBQESA-N 2 1 349.725 3.928 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000484141172 1031466704 /nfs/dbraw/zinc/46/67/04/1031466704.db2.gz WDODSOHUBRHOFA-TYPHKJRUSA-N 2 1 332.532 3.674 20 0 EHADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343577274 1031479624 /nfs/dbraw/zinc/47/96/24/1031479624.db2.gz IQKWMIBMCOXSLN-UHFFFAOYSA-N 2 1 346.494 3.749 20 0 EHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cn(C)nc3c2)CC1 ZINC000527961255 1031527018 /nfs/dbraw/zinc/52/70/18/1031527018.db2.gz HYLRDWQELXLEMB-HRAATJIYSA-N 2 1 340.515 3.706 20 0 EHADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000657823069 1031587982 /nfs/dbraw/zinc/58/79/82/1031587982.db2.gz HYQMQDLXWQLKOY-KRWDZBQOSA-N 2 1 339.321 3.700 20 0 EHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000178241277 1031646192 /nfs/dbraw/zinc/64/61/92/1031646192.db2.gz KRZBNRJHTZQUFV-UZLBHIALSA-N 2 1 337.467 3.700 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C[C@H](C)O1 ZINC000657828676 1031717089 /nfs/dbraw/zinc/71/70/89/1031717089.db2.gz VLJBESRSBOJYRD-FUHIMQAGSA-N 2 1 348.556 3.671 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181523560 1031999112 /nfs/dbraw/zinc/99/91/12/1031999112.db2.gz CBRDHKGZPTYYLM-HBMCJLEFSA-N 2 1 342.527 3.753 20 0 EHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000584259462 1032020615 /nfs/dbraw/zinc/02/06/15/1032020615.db2.gz NYHWVNADBQVTCA-CTNGQTDRSA-N 2 1 343.559 3.703 20 0 EHADMP CSc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)ccn1 ZINC000537936208 1032022167 /nfs/dbraw/zinc/02/21/67/1032022167.db2.gz GHLIYNRNPMRQRY-MAUKXSAKSA-N 2 1 333.545 3.936 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939091 1032023118 /nfs/dbraw/zinc/02/31/18/1032023118.db2.gz CABQGQBYXBVNGW-MPJJRAAHSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939091 1032023135 /nfs/dbraw/zinc/02/31/35/1032023135.db2.gz CABQGQBYXBVNGW-MPJJRAAHSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939091 1032023140 /nfs/dbraw/zinc/02/31/40/1032023140.db2.gz CABQGQBYXBVNGW-MPJJRAAHSA-N 3 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939091 1032023148 /nfs/dbraw/zinc/02/31/48/1032023148.db2.gz CABQGQBYXBVNGW-MPJJRAAHSA-N 2 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000537939091 1032023157 /nfs/dbraw/zinc/02/31/57/1032023157.db2.gz CABQGQBYXBVNGW-MPJJRAAHSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)C1 ZINC000657837597 1032034164 /nfs/dbraw/zinc/03/41/64/1032034164.db2.gz URBFLPDBIOYRIB-YLJYHZDGSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954889 1032042095 /nfs/dbraw/zinc/04/20/95/1032042095.db2.gz YASHKBYRKXAUEZ-PIPMEXSNSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954889 1032042106 /nfs/dbraw/zinc/04/21/06/1032042106.db2.gz YASHKBYRKXAUEZ-PIPMEXSNSA-N 2 1 341.543 3.806 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000641797792 1033533019 /nfs/dbraw/zinc/53/30/19/1033533019.db2.gz HAICQKDQDPYNGD-QZTJIDSGSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000641797792 1033533030 /nfs/dbraw/zinc/53/30/30/1033533030.db2.gz HAICQKDQDPYNGD-QZTJIDSGSA-N 2 1 325.456 3.614 20 0 EHADMP C[C@H]1C[C@H](NCc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338336 1033560507 /nfs/dbraw/zinc/56/05/07/1033560507.db2.gz RGTFGWDWDQPNMJ-QFBILLFUSA-N 2 1 338.451 3.558 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CCN1Cc1ccccc1 ZINC000080338336 1033560513 /nfs/dbraw/zinc/56/05/13/1033560513.db2.gz RGTFGWDWDQPNMJ-QFBILLFUSA-N 2 1 338.451 3.558 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000685613129 1033624356 /nfs/dbraw/zinc/62/43/56/1033624356.db2.gz KAEIODSKNYEGEG-OMCKNOPTSA-N 2 1 336.426 3.908 20 0 EHADMP Clc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000655765125 1033641201 /nfs/dbraw/zinc/64/12/01/1033641201.db2.gz ZDTKUQLHWJSFQS-NSISKUIASA-N 2 1 348.918 3.819 20 0 EHADMP CCn1cc(CC[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)cn1 ZINC001168414639 1033656089 /nfs/dbraw/zinc/65/60/89/1033656089.db2.gz QVNARXWJGJECCR-UHFFFAOYSA-N 2 1 334.552 3.526 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658142733 1033988359 /nfs/dbraw/zinc/98/83/59/1033988359.db2.gz WGMZKFJGNXITHE-CRAIPNDOSA-N 2 1 344.524 3.728 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660266 1034091976 /nfs/dbraw/zinc/09/19/76/1034091976.db2.gz LLFXFSIKAKGHBK-UHFFFAOYSA-N 2 1 346.496 3.618 20 0 EHADMP Fc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nc1 ZINC000529538719 1034142579 /nfs/dbraw/zinc/14/25/79/1034142579.db2.gz PXRTUAAKBBWTKK-UHFFFAOYSA-N 2 1 327.447 3.887 20 0 EHADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000658315587 1034191259 /nfs/dbraw/zinc/19/12/59/1034191259.db2.gz NMXCTTOVMAGFOW-IOMROCGXSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H](O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000658360222 1034241654 /nfs/dbraw/zinc/24/16/54/1034241654.db2.gz HMRFONPZSHHMEQ-JYWFKMLOSA-N 2 1 330.516 3.741 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@@H+]1Cc1ccccc1 ZINC000421837046 1034249645 /nfs/dbraw/zinc/24/96/45/1034249645.db2.gz RWPFRQGJIQOYRE-BVYCBKJFSA-N 2 1 349.522 3.972 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@H+]1Cc1ccccc1 ZINC000421837046 1034249658 /nfs/dbraw/zinc/24/96/58/1034249658.db2.gz RWPFRQGJIQOYRE-BVYCBKJFSA-N 2 1 349.522 3.972 20 0 EHADMP CCc1cnc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000372353687 1034384207 /nfs/dbraw/zinc/38/42/07/1034384207.db2.gz HGMITDADOLXYKP-FUHWJXTLSA-N 2 1 343.540 3.748 20 0 EHADMP COc1cc2c(cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)O[C@@H](C)C2 ZINC000534346948 1034417089 /nfs/dbraw/zinc/41/70/89/1034417089.db2.gz CKKSFQRUOVMIDO-INIZCTEOSA-N 2 1 346.515 3.571 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340247664 1034478472 /nfs/dbraw/zinc/47/84/72/1034478472.db2.gz PNBYQYKITLIGIO-DCPHZVHLSA-N 2 1 327.472 3.648 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340247664 1034478481 /nfs/dbraw/zinc/47/84/81/1034478481.db2.gz PNBYQYKITLIGIO-DCPHZVHLSA-N 2 1 327.472 3.648 20 0 EHADMP O=C1CCC(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000450643446 1034613893 /nfs/dbraw/zinc/61/38/93/1034613893.db2.gz JUOUHVVSCJUMDR-UHFFFAOYSA-N 2 1 340.511 3.734 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@H](C)C1 ZINC000450763598 1034756751 /nfs/dbraw/zinc/75/67/51/1034756751.db2.gz UGXADPFBIMAVJK-FEVYJVEVSA-N 2 1 330.516 3.817 20 0 EHADMP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC000450939197 1034960776 /nfs/dbraw/zinc/96/07/76/1034960776.db2.gz PXAOSCRTTXINJZ-QGZVFWFLSA-N 2 1 331.529 3.930 20 0 EHADMP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC000450939197 1034960789 /nfs/dbraw/zinc/96/07/89/1034960789.db2.gz PXAOSCRTTXINJZ-QGZVFWFLSA-N 2 1 331.529 3.930 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)CC1 ZINC000376001901 1035095570 /nfs/dbraw/zinc/09/55/70/1035095570.db2.gz XDELVCFNBFZLIM-UHFFFAOYSA-N 2 1 344.528 3.581 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCOc2ccc3ccccc3c2)C1 ZINC000472494201 1035375047 /nfs/dbraw/zinc/37/50/47/1035375047.db2.gz DXSCDBGRLAYVGK-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000472494201 1035375048 /nfs/dbraw/zinc/37/50/48/1035375048.db2.gz DXSCDBGRLAYVGK-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000472494201 1035375052 /nfs/dbraw/zinc/37/50/52/1035375052.db2.gz DXSCDBGRLAYVGK-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000472494201 1035375056 /nfs/dbraw/zinc/37/50/56/1035375056.db2.gz DXSCDBGRLAYVGK-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000472494201 1035375060 /nfs/dbraw/zinc/37/50/60/1035375060.db2.gz DXSCDBGRLAYVGK-LJQANCHMSA-N 2 1 338.495 3.882 20 0 EHADMP COC[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548992733 1035407915 /nfs/dbraw/zinc/40/79/15/1035407915.db2.gz BDIWRCQVVHJOPE-QNBCLJFBSA-N 2 1 336.907 3.878 20 0 EHADMP C[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085923 1035467896 /nfs/dbraw/zinc/46/78/96/1035467896.db2.gz YZBSFOAEHIZHAK-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085923 1035467899 /nfs/dbraw/zinc/46/78/99/1035467899.db2.gz YZBSFOAEHIZHAK-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085923 1035467907 /nfs/dbraw/zinc/46/79/07/1035467907.db2.gz YZBSFOAEHIZHAK-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230510 1035506326 /nfs/dbraw/zinc/50/63/26/1035506326.db2.gz XSKKKRVKAPBMFO-UYWIDEMCSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230510 1035506342 /nfs/dbraw/zinc/50/63/42/1035506342.db2.gz XSKKKRVKAPBMFO-UYWIDEMCSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230510 1035506350 /nfs/dbraw/zinc/50/63/50/1035506350.db2.gz XSKKKRVKAPBMFO-UYWIDEMCSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230510 1035506356 /nfs/dbraw/zinc/50/63/56/1035506356.db2.gz XSKKKRVKAPBMFO-UYWIDEMCSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136940 1035716752 /nfs/dbraw/zinc/71/67/52/1035716752.db2.gz JHBXMBMTYNIHNZ-UKAVVXHISA-N 2 1 342.527 3.549 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCSCC1 ZINC000187058830 1035746839 /nfs/dbraw/zinc/74/68/39/1035746839.db2.gz LGNZPBYRZVCGSZ-IRXDYDNUSA-N 2 1 348.556 3.529 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCSCC1 ZINC000187058830 1035746855 /nfs/dbraw/zinc/74/68/55/1035746855.db2.gz LGNZPBYRZVCGSZ-IRXDYDNUSA-N 2 1 348.556 3.529 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414143044 1035760357 /nfs/dbraw/zinc/76/03/57/1035760357.db2.gz LGUJCMXWWWTEIY-CMMDMPAISA-N 2 1 328.500 3.728 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC(C)(C)O1 ZINC000187395069 1035813539 /nfs/dbraw/zinc/81/35/39/1035813539.db2.gz LHQBJVRPTSZABF-LJQANCHMSA-N 2 1 331.504 3.578 20 0 EHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414178547 1035897034 /nfs/dbraw/zinc/89/70/34/1035897034.db2.gz KLZKEJIHHMEXTN-IVMQYODDSA-N 2 1 326.488 3.514 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000535083003 1035972759 /nfs/dbraw/zinc/97/27/59/1035972759.db2.gz HLJRLXXOAMUUPC-UHFFFAOYSA-N 2 1 348.922 3.779 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000535083003 1035972808 /nfs/dbraw/zinc/97/28/08/1035972808.db2.gz HLJRLXXOAMUUPC-UHFFFAOYSA-N 2 1 348.922 3.779 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535083428 1035977224 /nfs/dbraw/zinc/97/72/24/1035977224.db2.gz PPQGLHDOIHQJIO-HSALFYBXSA-N 2 1 335.580 3.693 20 0 EHADMP C[C@@H](c1ccccc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709365 1035979064 /nfs/dbraw/zinc/97/90/64/1035979064.db2.gz AIAIUNYRZAIGDH-BBWFWOEESA-N 2 1 334.479 3.708 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194679 1035996075 /nfs/dbraw/zinc/99/60/75/1035996075.db2.gz UONANMLIYUWZHM-UONOGXRCSA-N 2 1 334.895 3.609 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414211640 1036084339 /nfs/dbraw/zinc/08/43/39/1036084339.db2.gz VQSJAYFYUFUBIZ-MJUUVYJYSA-N 2 1 330.516 3.549 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000541745879 1036599064 /nfs/dbraw/zinc/59/90/64/1036599064.db2.gz CCBRJOPJWIRRCQ-GHTZIAJQSA-N 2 1 338.499 3.668 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121856703 1036600938 /nfs/dbraw/zinc/60/09/38/1036600938.db2.gz KIMRBLFHPKFDMV-SEVLPDGMSA-N 2 1 340.511 3.759 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000541744635 1036613529 /nfs/dbraw/zinc/61/35/29/1036613529.db2.gz UKWGFNVUFUWSHF-QUCCMNQESA-N 2 1 349.950 3.593 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000347431954 1036622378 /nfs/dbraw/zinc/62/23/78/1036622378.db2.gz FASGGZCWXJCEIB-VSKRKVRLSA-N 2 1 342.527 3.932 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)[C@@H](C)C1 ZINC000493082687 1036671126 /nfs/dbraw/zinc/67/11/26/1036671126.db2.gz VOELVZRJNDLOIR-FCEWJHQRSA-N 2 1 325.500 3.654 20 0 EHADMP CSC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541917193 1036841544 /nfs/dbraw/zinc/84/15/44/1036841544.db2.gz FRCOMADNLYUDHJ-MRXNPFEDSA-N 2 1 344.446 3.961 20 0 EHADMP C[N@@H+](CCCOc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464840522 1036878507 /nfs/dbraw/zinc/87/85/07/1036878507.db2.gz VJJLVUXMLWWPFW-OAQYLSRUSA-N 2 1 338.495 3.909 20 0 EHADMP C[NH+](CCCOc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840522 1036878531 /nfs/dbraw/zinc/87/85/31/1036878531.db2.gz VJJLVUXMLWWPFW-OAQYLSRUSA-N 2 1 338.495 3.909 20 0 EHADMP C[NH+](CCCOc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840522 1036878557 /nfs/dbraw/zinc/87/85/57/1036878557.db2.gz VJJLVUXMLWWPFW-OAQYLSRUSA-N 2 1 338.495 3.909 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cn1 ZINC000414350987 1036887785 /nfs/dbraw/zinc/88/77/85/1036887785.db2.gz MOVWGARJVBWFST-UHFFFAOYSA-N 2 1 338.499 3.705 20 0 EHADMP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310895521 1036923576 /nfs/dbraw/zinc/92/35/76/1036923576.db2.gz AEQPVCQTCOVYNB-PGRDOPGGSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@H](O)[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549085621 1037270825 /nfs/dbraw/zinc/27/08/25/1037270825.db2.gz CNENCJQOVBXUEN-UPDMGMGESA-N 2 1 336.907 3.613 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000539850247 1037280348 /nfs/dbraw/zinc/28/03/48/1037280348.db2.gz IKICCERGMZMODR-QGZVFWFLSA-N 2 1 332.513 3.834 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000106166667 1037307233 /nfs/dbraw/zinc/30/72/33/1037307233.db2.gz LTLJDSQLZXKLNU-UHFFFAOYSA-N 2 1 337.389 3.894 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@H]21 ZINC000462793883 1037406281 /nfs/dbraw/zinc/40/62/81/1037406281.db2.gz SRXJRSGCJMSUNO-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@H]21 ZINC000462793883 1037406294 /nfs/dbraw/zinc/40/62/94/1037406294.db2.gz SRXJRSGCJMSUNO-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@H]21 ZINC000462793883 1037406307 /nfs/dbraw/zinc/40/63/07/1037406307.db2.gz SRXJRSGCJMSUNO-RBUKOAKNSA-N 2 1 344.499 3.558 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnn1-c1ccccc1 ZINC000342729893 1037506754 /nfs/dbraw/zinc/50/67/54/1037506754.db2.gz GMNABYZUFZYFJW-GOSISDBHSA-N 2 1 326.488 3.645 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140993 1037594252 /nfs/dbraw/zinc/59/42/52/1037594252.db2.gz VBUIAJCUQGUKFJ-FUHIMQAGSA-N 2 1 340.515 3.680 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000659876684 1037609123 /nfs/dbraw/zinc/60/91/23/1037609123.db2.gz LHZYKCYQEZXANR-UHFFFAOYSA-N 2 1 344.421 3.979 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000659876684 1037609131 /nfs/dbraw/zinc/60/91/31/1037609131.db2.gz LHZYKCYQEZXANR-UHFFFAOYSA-N 2 1 344.421 3.979 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000493887501 1037700908 /nfs/dbraw/zinc/70/09/08/1037700908.db2.gz FHBDVDIKARVJGU-GVDBMIGSSA-N 2 1 349.316 3.961 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092232 1037752273 /nfs/dbraw/zinc/75/22/73/1037752273.db2.gz WMGPABDLRYJRTF-IBGZPJMESA-N 2 1 342.531 3.789 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092232 1037752292 /nfs/dbraw/zinc/75/22/92/1037752292.db2.gz WMGPABDLRYJRTF-IBGZPJMESA-N 2 1 342.531 3.789 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092232 1037752311 /nfs/dbraw/zinc/75/23/11/1037752311.db2.gz WMGPABDLRYJRTF-IBGZPJMESA-N 2 1 342.531 3.789 20 0 EHADMP CC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397163 1037911608 /nfs/dbraw/zinc/91/16/08/1037911608.db2.gz IZJDYMBNHSJCSI-HOJAQTOUSA-N 2 1 340.515 3.762 20 0 EHADMP C[C@H]1C[C@@H](Nc2c[nH+]ccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463282553 1037964778 /nfs/dbraw/zinc/96/47/78/1037964778.db2.gz NKSRKXAEZYKHLZ-HKUYNNGSSA-N 2 1 347.466 3.732 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183707928 1037964565 /nfs/dbraw/zinc/96/45/65/1037964565.db2.gz XRRVIKDKZUWRCF-QGZVFWFLSA-N 2 1 346.515 3.669 20 0 EHADMP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463275042 1037979161 /nfs/dbraw/zinc/97/91/61/1037979161.db2.gz IMQBRBARZWJFJU-JOCHJYFZSA-N 2 1 344.543 3.614 20 0 EHADMP Cc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)c1 ZINC000655779041 1038132208 /nfs/dbraw/zinc/13/22/08/1038132208.db2.gz AUSFQHWSSPMRCR-FQEVSTJZSA-N 2 1 328.500 3.607 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000125110242 1038281247 /nfs/dbraw/zinc/28/12/47/1038281247.db2.gz IHFLPQOGVOLRKY-DCXXXQMHSA-N 2 1 329.532 3.530 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000125455114 1038329518 /nfs/dbraw/zinc/32/95/18/1038329518.db2.gz LKGUGEVATBYTIP-KRWDZBQOSA-N 2 1 333.501 3.714 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000125455114 1038329528 /nfs/dbraw/zinc/32/95/28/1038329528.db2.gz LKGUGEVATBYTIP-KRWDZBQOSA-N 2 1 333.501 3.714 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000125500024 1038337225 /nfs/dbraw/zinc/33/72/25/1038337225.db2.gz XZWWTGDDWPAIMB-SFHVURJKSA-N 2 1 341.455 3.580 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000125500024 1038337239 /nfs/dbraw/zinc/33/72/39/1038337239.db2.gz XZWWTGDDWPAIMB-SFHVURJKSA-N 2 1 341.455 3.580 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000538753235 1038518211 /nfs/dbraw/zinc/51/82/11/1038518211.db2.gz ZFMQBPHJECRVLK-YADHBBJMSA-N 2 1 344.543 3.861 20 0 EHADMP CCc1onc(C)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226461 1038586971 /nfs/dbraw/zinc/58/69/71/1038586971.db2.gz RJZQZJLRGJYYCR-VQIMIIECSA-N 2 1 341.499 3.936 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)ccc2OC(F)F)C[C@H]1C ZINC000659983025 1038611516 /nfs/dbraw/zinc/61/15/16/1038611516.db2.gz BUVPEWACMDCATC-DOMZBBRYSA-N 2 1 330.394 3.732 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000149642025 1038686047 /nfs/dbraw/zinc/68/60/47/1038686047.db2.gz TYXJXIFZYGWBQZ-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP [NH3+][C@@H](CC1CC1)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000905303016 1038813160 /nfs/dbraw/zinc/81/31/60/1038813160.db2.gz BPDVZAUGLDMIND-KRWDZBQOSA-N 2 1 326.444 3.522 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871240 1038813750 /nfs/dbraw/zinc/81/37/50/1038813750.db2.gz DCNGWYUDUNAPLB-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871240 1038813778 /nfs/dbraw/zinc/81/37/78/1038813778.db2.gz DCNGWYUDUNAPLB-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871240 1038813806 /nfs/dbraw/zinc/81/38/06/1038813806.db2.gz DCNGWYUDUNAPLB-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000924830235 1038873722 /nfs/dbraw/zinc/87/37/22/1038873722.db2.gz WATUOMGUVUOMBX-LEWJYISDSA-N 2 1 330.516 3.822 20 0 EHADMP COc1ccnc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000924830576 1038913819 /nfs/dbraw/zinc/91/38/19/1038913819.db2.gz ZECGVJUAAGUEBS-MRXNPFEDSA-N 2 1 327.472 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477855994 1038963985 /nfs/dbraw/zinc/96/39/85/1038963985.db2.gz IKHAQTUKOMCIKC-IAQYHMDHSA-N 2 1 340.298 3.947 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000480054728 1039094292 /nfs/dbraw/zinc/09/42/92/1039094292.db2.gz DIXVUBBMTMYJNF-CABCVRRESA-N 2 1 343.446 3.834 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000480054728 1039094310 /nfs/dbraw/zinc/09/43/10/1039094310.db2.gz DIXVUBBMTMYJNF-CABCVRRESA-N 2 1 343.446 3.834 20 0 EHADMP CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552251354 1039130343 /nfs/dbraw/zinc/13/03/43/1039130343.db2.gz SYUVJONSQSXROF-PCCBWWKXSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)cc1F ZINC000488432723 1039177010 /nfs/dbraw/zinc/17/70/10/1039177010.db2.gz HHEVJHPJFIALLW-CRAIPNDOSA-N 2 1 333.476 3.940 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898517028 1039185681 /nfs/dbraw/zinc/18/56/81/1039185681.db2.gz HITMOJITDLTXEP-IVAOSVALSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCCOC1 ZINC000898517659 1039187583 /nfs/dbraw/zinc/18/75/83/1039187583.db2.gz BDPVQVPVWHDINM-KMHBYZIFSA-N 2 1 342.527 3.692 20 0 EHADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519188 1039189922 /nfs/dbraw/zinc/18/99/22/1039189922.db2.gz NPVXUQRJCXYZHI-JAZQRGJZSA-N 2 1 330.541 3.771 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000488462014 1039205051 /nfs/dbraw/zinc/20/50/51/1039205051.db2.gz VPSJVWRLAZEGER-HXUWFJFHSA-N 2 1 348.490 3.617 20 0 EHADMP C[NH+](C)[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000432794833 1039216954 /nfs/dbraw/zinc/21/69/54/1039216954.db2.gz VRAHJSXEGZRCPY-FQEVSTJZSA-N 3 1 331.548 3.561 20 0 EHADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480167086 1039255179 /nfs/dbraw/zinc/25/51/79/1039255179.db2.gz QLJHGUXVDTYSIR-UNMCSNQZSA-N 3 1 343.559 3.609 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000236830149 1039264513 /nfs/dbraw/zinc/26/45/13/1039264513.db2.gz BCRHNKWENUJORW-DLBZAZTESA-N 2 1 340.471 3.511 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222995 1039323938 /nfs/dbraw/zinc/32/39/38/1039323938.db2.gz IJWWEFZLZZKSCA-PGRDOPGGSA-N 2 1 349.522 3.679 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000432812614 1039339197 /nfs/dbraw/zinc/33/91/97/1039339197.db2.gz JIVIRIQPQMPDMS-IBGZPJMESA-N 2 1 348.494 3.942 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000237368857 1039349887 /nfs/dbraw/zinc/34/98/87/1039349887.db2.gz CIOMQYZSQZKJCL-LBPRGKRZSA-N 2 1 327.350 3.516 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488738381 1039365324 /nfs/dbraw/zinc/36/53/24/1039365324.db2.gz YWWKALNVPNGUDQ-CKFHNAJUSA-N 2 1 343.446 3.549 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCc2ccccc2)cc1 ZINC000401709744 1039453587 /nfs/dbraw/zinc/45/35/87/1039453587.db2.gz UYHVIGMOOUNKBB-QGZVFWFLSA-N 2 1 335.451 3.892 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552919610 1039636453 /nfs/dbraw/zinc/63/64/53/1039636453.db2.gz JLGUPZXCEXIKFJ-IHPCNDPISA-N 2 1 332.532 3.672 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552919610 1039636465 /nfs/dbraw/zinc/63/64/65/1039636465.db2.gz JLGUPZXCEXIKFJ-IHPCNDPISA-N 2 1 332.532 3.672 20 0 EHADMP Cc1nc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)sc1C ZINC000310396417 1039900898 /nfs/dbraw/zinc/90/08/98/1039900898.db2.gz MBTFLVQMJJWDBF-RTBURBONSA-N 2 1 341.524 3.714 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447540 1040267690 /nfs/dbraw/zinc/26/76/90/1040267690.db2.gz QATPSYVVNISKPF-RDJZCZTQSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000479447540 1040267699 /nfs/dbraw/zinc/26/76/99/1040267699.db2.gz QATPSYVVNISKPF-RDJZCZTQSA-N 2 1 329.875 3.908 20 0 EHADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000486646189 1040304859 /nfs/dbraw/zinc/30/48/59/1040304859.db2.gz RNPIWVFZUNBUSR-ACJLOTCBSA-N 2 1 347.409 3.675 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168188 1040380480 /nfs/dbraw/zinc/38/04/80/1040380480.db2.gz SFMSUHQCEJQQHF-IIBYNOLFSA-N 2 1 342.458 3.855 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168188 1040380496 /nfs/dbraw/zinc/38/04/96/1040380496.db2.gz SFMSUHQCEJQQHF-IIBYNOLFSA-N 2 1 342.458 3.855 20 0 EHADMP CC(C)OCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512649932 1040395771 /nfs/dbraw/zinc/39/57/71/1040395771.db2.gz VPSYSIBHWDSMAQ-PWRODBHTSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000500123976 1040560191 /nfs/dbraw/zinc/56/01/91/1040560191.db2.gz MFWWKLYBHXJNJY-FQEVSTJZSA-N 2 1 331.548 3.712 20 0 EHADMP C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000433051819 1040567827 /nfs/dbraw/zinc/56/78/27/1040567827.db2.gz IZOKHISGHBIKLJ-XLIONFOSSA-N 2 1 329.532 3.837 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000500249586 1040799506 /nfs/dbraw/zinc/79/95/06/1040799506.db2.gz LPYGMFBBLCVRFN-RMVXJAJNSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481398297 1040847616 /nfs/dbraw/zinc/84/76/16/1040847616.db2.gz DNMLZZKVAFMQFC-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481398297 1040847629 /nfs/dbraw/zinc/84/76/29/1040847629.db2.gz DNMLZZKVAFMQFC-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000319406728 1040968711 /nfs/dbraw/zinc/96/87/11/1040968711.db2.gz FWSIOLRTMRZKDY-IHWFROFDSA-N 2 1 328.500 3.731 20 0 EHADMP CCCn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000311243376 1040969258 /nfs/dbraw/zinc/96/92/58/1040969258.db2.gz YMTWXAKJAPAMHS-HXUWFJFHSA-N 2 1 340.515 3.685 20 0 EHADMP CCCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000311243376 1040969283 /nfs/dbraw/zinc/96/92/83/1040969283.db2.gz YMTWXAKJAPAMHS-HXUWFJFHSA-N 2 1 340.515 3.685 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343865002 1041000148 /nfs/dbraw/zinc/00/01/48/1041000148.db2.gz RPUMSQHQVKPHKR-SNVBAGLBSA-N 2 1 332.395 3.798 20 0 EHADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CCCCC2)cc1 ZINC000481556939 1041066533 /nfs/dbraw/zinc/06/65/33/1041066533.db2.gz MFQOLKZCBXFLJQ-PXNSSMCTSA-N 2 1 330.516 3.827 20 0 EHADMP CCc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000411726899 1041088453 /nfs/dbraw/zinc/08/84/53/1041088453.db2.gz ZIFPPOIQCOKLKD-UHFFFAOYSA-N 2 1 332.451 3.514 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000924829548 1041236389 /nfs/dbraw/zinc/23/63/89/1041236389.db2.gz QMMAHAFXJRHXMD-NRFANRHFSA-N 2 1 330.516 3.822 20 0 EHADMP C[C@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000571294258 1041258951 /nfs/dbraw/zinc/25/89/51/1041258951.db2.gz ICAFVNHJDSYTJO-QRVBRYPASA-N 2 1 330.516 3.611 20 0 EHADMP c1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000364450510 1041322678 /nfs/dbraw/zinc/32/26/78/1041322678.db2.gz YBZVRAUPNQHDRZ-UHFFFAOYSA-N 2 1 327.497 3.631 20 0 EHADMP CN(c1ccccc1C[NH+]1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000119962266 1041465336 /nfs/dbraw/zinc/46/53/36/1041465336.db2.gz RQWRCYIKNQNARZ-UHFFFAOYSA-N 2 1 335.495 3.733 20 0 EHADMP CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576175 1041598150 /nfs/dbraw/zinc/59/81/50/1041598150.db2.gz JHYXFXFFAUCPRF-HIFRSBDPSA-N 2 1 345.443 3.532 20 0 EHADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576175 1041598160 /nfs/dbraw/zinc/59/81/60/1041598160.db2.gz JHYXFXFFAUCPRF-HIFRSBDPSA-N 2 1 345.443 3.532 20 0 EHADMP Cc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000299935475 1041640815 /nfs/dbraw/zinc/64/08/15/1041640815.db2.gz GSHSIVZMBWZUSJ-RYUDHWBXSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1sc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000299935475 1041640811 /nfs/dbraw/zinc/64/08/11/1041640811.db2.gz GSHSIVZMBWZUSJ-RYUDHWBXSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000299935475 1041640812 /nfs/dbraw/zinc/64/08/12/1041640812.db2.gz GSHSIVZMBWZUSJ-RYUDHWBXSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cc4nccn4C)C3)cc2c1C ZINC000473120251 1042210448 /nfs/dbraw/zinc/21/04/48/1042210448.db2.gz GAXLMHVKFWWJPA-QGZVFWFLSA-N 2 1 336.483 3.973 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661645425 1042234417 /nfs/dbraw/zinc/23/44/17/1042234417.db2.gz XVSXNOMSYUKXQD-OAHLLOKOSA-N 2 1 342.270 3.554 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661645425 1042234423 /nfs/dbraw/zinc/23/44/23/1042234423.db2.gz XVSXNOMSYUKXQD-OAHLLOKOSA-N 2 1 342.270 3.554 20 0 EHADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000652313473 1042349341 /nfs/dbraw/zinc/34/93/41/1042349341.db2.gz WZYLDRVVHFOAHL-NJDAHSKKSA-N 2 1 342.527 3.572 20 0 EHADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000652313475 1042349378 /nfs/dbraw/zinc/34/93/78/1042349378.db2.gz WZYLDRVVHFOAHL-PWRODBHTSA-N 2 1 342.527 3.572 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)C1 ZINC000652348845 1042408924 /nfs/dbraw/zinc/40/89/24/1042408924.db2.gz UAHUVTRPEAHEBC-LZLYRXPVSA-N 2 1 349.544 3.519 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662215200 1042609536 /nfs/dbraw/zinc/60/95/36/1042609536.db2.gz RWIQNEIGXIDOAD-LJQANCHMSA-N 2 1 326.484 3.801 20 0 EHADMP c1ccc2c(c1)C=CC1(CC[NH+](CCC[NH+]3CCCCC3)CC1)O2 ZINC000662216295 1042610322 /nfs/dbraw/zinc/61/03/22/1042610322.db2.gz RWNSEPPJDLUKND-UHFFFAOYSA-N 2 1 326.484 3.803 20 0 EHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278860995 1042624930 /nfs/dbraw/zinc/62/49/30/1042624930.db2.gz AXWZGPWFQJCNJF-KGLIPLIRSA-N 2 1 333.863 3.848 20 0 EHADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292520 1042663306 /nfs/dbraw/zinc/66/33/06/1042663306.db2.gz FUVXTDKEKWRUIS-HNNXBMFYSA-N 2 1 348.441 3.643 20 0 EHADMP Fc1ccc(-c2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662297199 1042666565 /nfs/dbraw/zinc/66/65/65/1042666565.db2.gz OIAFNKICPNAZIK-KRWDZBQOSA-N 2 1 343.446 3.692 20 0 EHADMP Cc1csc([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000162336326 1042723424 /nfs/dbraw/zinc/72/34/24/1042723424.db2.gz GCCKTIKEOPTEME-CABCVRRESA-N 2 1 333.501 3.804 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc2c1 ZINC000663347120 1042732061 /nfs/dbraw/zinc/73/20/61/1042732061.db2.gz ZIDVUBKSJHEBIL-MRXNPFEDSA-N 2 1 328.456 3.653 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663347120 1042732067 /nfs/dbraw/zinc/73/20/67/1042732067.db2.gz ZIDVUBKSJHEBIL-MRXNPFEDSA-N 2 1 328.456 3.653 20 0 EHADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OCC ZINC000663347441 1042738368 /nfs/dbraw/zinc/73/83/68/1042738368.db2.gz KMMUJRSQJXGDCP-LJQANCHMSA-N 2 1 346.515 3.696 20 0 EHADMP COC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467067 1042892195 /nfs/dbraw/zinc/89/21/95/1042892195.db2.gz ZJTSRULNFZWDEV-QFBILLFUSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467067 1042892198 /nfs/dbraw/zinc/89/21/98/1042892198.db2.gz ZJTSRULNFZWDEV-QFBILLFUSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467067 1042892201 /nfs/dbraw/zinc/89/22/01/1042892201.db2.gz ZJTSRULNFZWDEV-QFBILLFUSA-N 2 1 336.907 3.739 20 0 EHADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786132 1042975343 /nfs/dbraw/zinc/97/53/43/1042975343.db2.gz VWROXGHDTKGTDO-TVQRCGJNSA-N 2 1 335.225 3.815 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CCC2)cc1 ZINC000432412624 1043115159 /nfs/dbraw/zinc/11/51/59/1043115159.db2.gz CIRMTSKCPINFAH-WIYYLYMNSA-N 2 1 330.516 3.927 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001167842498 1043165365 /nfs/dbraw/zinc/16/53/65/1043165365.db2.gz YELXNVMMORXDHP-IAGOWNOFSA-N 2 1 326.525 3.693 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)(F)F ZINC000279011246 1043188031 /nfs/dbraw/zinc/18/80/31/1043188031.db2.gz SXGOKSYQTVDABQ-STQMWFEESA-N 2 1 339.361 3.695 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CCCO1 ZINC000432438995 1043242553 /nfs/dbraw/zinc/24/25/53/1043242553.db2.gz FCNZUQUXVGAIAV-FCEUIQTBSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CCCO1 ZINC000432438995 1043242561 /nfs/dbraw/zinc/24/25/61/1043242561.db2.gz FCNZUQUXVGAIAV-FCEUIQTBSA-N 2 1 344.543 3.878 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000344128499 1043297692 /nfs/dbraw/zinc/29/76/92/1043297692.db2.gz KUSPTDALQUAPBB-UHFFFAOYSA-N 2 1 347.418 3.554 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187232544 1043913258 /nfs/dbraw/zinc/91/32/58/1043913258.db2.gz RYWKCUKCDXQFRC-UHFFFAOYSA-N 2 1 341.499 3.924 20 0 EHADMP c1cc(C[N@H+](CCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432668590 1044658339 /nfs/dbraw/zinc/65/83/39/1044658339.db2.gz JSFFRUDXDKMDER-LJQANCHMSA-N 2 1 342.508 3.771 20 0 EHADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282575278 1044762417 /nfs/dbraw/zinc/76/24/17/1044762417.db2.gz ZEHCBNUFMNOMCP-NRFANRHFSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000155058404 1125781067 /nfs/dbraw/zinc/78/10/67/1125781067.db2.gz SSWIPJQUCJBCAO-GCJKJVERSA-N 2 1 338.495 3.833 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc(O)c1 ZINC000174451795 1126853506 /nfs/dbraw/zinc/85/35/06/1126853506.db2.gz YSDOYCUTALGYNO-UHFFFAOYSA-N 2 1 336.435 3.907 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000174514541 1126854957 /nfs/dbraw/zinc/85/49/57/1126854957.db2.gz OIUPMOVOWLYOFS-LPHOPBHVSA-N 2 1 342.458 3.977 20 0 EHADMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000185301414 1126858030 /nfs/dbraw/zinc/85/80/30/1126858030.db2.gz OFJYYYKQNMKMPW-UHFFFAOYSA-N 2 1 337.851 3.745 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623363145 1126930423 /nfs/dbraw/zinc/93/04/23/1126930423.db2.gz BSXXIJOBAVRXLH-AWEZNQCLSA-N 2 1 340.895 3.710 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623363145 1126930425 /nfs/dbraw/zinc/93/04/25/1126930425.db2.gz BSXXIJOBAVRXLH-AWEZNQCLSA-N 2 1 340.895 3.710 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(OC3CCCCC3)nc2)CC1(C)C ZINC000623387574 1126941405 /nfs/dbraw/zinc/94/14/05/1126941405.db2.gz JTEAQQVICDXUOB-QGZVFWFLSA-N 2 1 331.504 3.756 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC1(C)C ZINC000623387574 1126941411 /nfs/dbraw/zinc/94/14/11/1126941411.db2.gz JTEAQQVICDXUOB-QGZVFWFLSA-N 2 1 331.504 3.756 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623449293 1126958825 /nfs/dbraw/zinc/95/88/25/1126958825.db2.gz PSMXLMXRFGKDBB-QWFCFKBJSA-N 2 1 343.559 3.605 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623511775 1126970397 /nfs/dbraw/zinc/97/03/97/1126970397.db2.gz DMWVUJJXTNXSDY-OAHLLOKOSA-N 2 1 344.421 3.633 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)CC1(C)C ZINC000623521256 1126973773 /nfs/dbraw/zinc/97/37/73/1126973773.db2.gz PGLQDIIBHJLXED-HNNXBMFYSA-N 2 1 326.431 3.585 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC000177107071 1126973981 /nfs/dbraw/zinc/97/39/81/1126973981.db2.gz BHGYRZBLAXIKEX-IYBDPMFKSA-N 2 1 332.513 3.880 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1(C)C ZINC000623524760 1126975294 /nfs/dbraw/zinc/97/52/94/1126975294.db2.gz HLZCDHVMVQTXBM-BPQIPLTHSA-N 2 1 338.442 3.727 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623561874 1126986522 /nfs/dbraw/zinc/98/65/22/1126986522.db2.gz AJBTZXNOCXPWTQ-HOTGVXAUSA-N 2 1 335.923 3.629 20 0 EHADMP C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724842 1126994705 /nfs/dbraw/zinc/99/47/05/1126994705.db2.gz STQZZMKSLNHBFG-HKUYNNGSSA-N 2 1 341.499 3.570 20 0 EHADMP COc1ccccc1C[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178706979 1127025620 /nfs/dbraw/zinc/02/56/20/1127025620.db2.gz MMUAAZMXEUUWMV-LPHOPBHVSA-N 2 1 329.488 3.693 20 0 EHADMP C[N@H+](Cc1c(Cl)cccc1N1CCCC1)CC1CC[NH+](C)CC1 ZINC000180054647 1127115120 /nfs/dbraw/zinc/11/51/20/1127115120.db2.gz HPDWQUXLMCAFSX-UHFFFAOYSA-N 2 1 335.923 3.714 20 0 EHADMP CC[N@@H+](Cc1cccc2nccn21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582017 1127174373 /nfs/dbraw/zinc/17/43/73/1127174373.db2.gz CGOPOXJGGWNJHL-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP CC[N@H+](Cc1cccc2nccn21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582017 1127174376 /nfs/dbraw/zinc/17/43/76/1127174376.db2.gz CGOPOXJGGWNJHL-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cccc2nccn21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180582017 1127174378 /nfs/dbraw/zinc/17/43/78/1127174378.db2.gz CGOPOXJGGWNJHL-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP CC[NH+](Cc1cccc2nccn21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180582017 1127174381 /nfs/dbraw/zinc/17/43/81/1127174381.db2.gz CGOPOXJGGWNJHL-FQEVSTJZSA-N 2 1 348.494 3.678 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC1(C)C ZINC000623800275 1127182081 /nfs/dbraw/zinc/18/20/81/1127182081.db2.gz BSGGDODPLWZTPE-ZDUSSCGKSA-N 2 1 337.870 3.965 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C)ccc1C ZINC000623893477 1127207829 /nfs/dbraw/zinc/20/78/29/1127207829.db2.gz RTFGMUVKOGIDBX-CTNGQTDRSA-N 2 1 330.516 3.988 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000623890064 1127211227 /nfs/dbraw/zinc/21/12/27/1127211227.db2.gz BCSHWXHMKIKIFU-KBPBESRZSA-N 2 1 325.294 3.750 20 0 EHADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000623944398 1127220181 /nfs/dbraw/zinc/22/01/81/1127220181.db2.gz CFPDVRZDQVZXNG-IBGZPJMESA-N 2 1 344.547 3.502 20 0 EHADMP C[N@H+]1CCCC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122222 1127257194 /nfs/dbraw/zinc/25/71/94/1127257194.db2.gz MPBRBTIXAGPCLG-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122222 1127257195 /nfs/dbraw/zinc/25/71/95/1127257195.db2.gz MPBRBTIXAGPCLG-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122222 1127257198 /nfs/dbraw/zinc/25/71/98/1127257198.db2.gz MPBRBTIXAGPCLG-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122222 1127257200 /nfs/dbraw/zinc/25/72/00/1127257200.db2.gz MPBRBTIXAGPCLG-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624122222 1127257203 /nfs/dbraw/zinc/25/72/03/1127257203.db2.gz MPBRBTIXAGPCLG-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624122222 1127257206 /nfs/dbraw/zinc/25/72/06/1127257206.db2.gz MPBRBTIXAGPCLG-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624122222 1127257207 /nfs/dbraw/zinc/25/72/07/1127257207.db2.gz MPBRBTIXAGPCLG-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120772 1127255107 /nfs/dbraw/zinc/25/51/07/1127255107.db2.gz GVEBHIFPXROGIJ-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000624120772 1127255110 /nfs/dbraw/zinc/25/51/10/1127255110.db2.gz GVEBHIFPXROGIJ-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120772 1127255113 /nfs/dbraw/zinc/25/51/13/1127255113.db2.gz GVEBHIFPXROGIJ-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccccc2Br)CC[N@@H+]1C ZINC000181946718 1127303681 /nfs/dbraw/zinc/30/36/81/1127303681.db2.gz YHKYFJUGYXUDFH-GDBMZVCRSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccccc2Br)CC[N@H+]1C ZINC000181946718 1127303684 /nfs/dbraw/zinc/30/36/84/1127303684.db2.gz YHKYFJUGYXUDFH-GDBMZVCRSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946718 1127303687 /nfs/dbraw/zinc/30/36/87/1127303687.db2.gz YHKYFJUGYXUDFH-GDBMZVCRSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946718 1127303689 /nfs/dbraw/zinc/30/36/89/1127303689.db2.gz YHKYFJUGYXUDFH-GDBMZVCRSA-N 2 1 339.321 3.796 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624222806 1127319872 /nfs/dbraw/zinc/31/98/72/1127319872.db2.gz FZMYWPZHUYOCGE-GOLJUSPKSA-N 2 1 328.500 3.587 20 0 EHADMP CCC[NH+]1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000182273760 1127320329 /nfs/dbraw/zinc/32/03/29/1127320329.db2.gz AGMCOVWYSLJZOB-UHFFFAOYSA-N 2 1 337.305 3.902 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000183140909 1127364808 /nfs/dbraw/zinc/36/48/08/1127364808.db2.gz RZJWCFNEPGWLPX-RJGXRXQPSA-N 2 1 349.522 3.823 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000183755941 1127385858 /nfs/dbraw/zinc/38/58/58/1127385858.db2.gz SZYFPIVJNBPEEZ-UHFFFAOYSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222603 1127397091 /nfs/dbraw/zinc/39/70/91/1127397091.db2.gz NQPLJUGPJSSVNT-WMZOPIPTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222603 1127397094 /nfs/dbraw/zinc/39/70/94/1127397094.db2.gz NQPLJUGPJSSVNT-WMZOPIPTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222603 1127397098 /nfs/dbraw/zinc/39/70/98/1127397098.db2.gz NQPLJUGPJSSVNT-WMZOPIPTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222603 1127397100 /nfs/dbraw/zinc/39/71/00/1127397100.db2.gz NQPLJUGPJSSVNT-WMZOPIPTSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222601 1127397207 /nfs/dbraw/zinc/39/72/07/1127397207.db2.gz NQPLJUGPJSSVNT-FUHWJXTLSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222601 1127397211 /nfs/dbraw/zinc/39/72/11/1127397211.db2.gz NQPLJUGPJSSVNT-FUHWJXTLSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222601 1127397215 /nfs/dbraw/zinc/39/72/15/1127397215.db2.gz NQPLJUGPJSSVNT-FUHWJXTLSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222601 1127397219 /nfs/dbraw/zinc/39/72/19/1127397219.db2.gz NQPLJUGPJSSVNT-FUHWJXTLSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)[NH+]1CCCCC1 ZINC000184496796 1127406594 /nfs/dbraw/zinc/40/65/94/1127406594.db2.gz XOAWLTDEBSJLJR-MSOLQXFVSA-N 2 1 343.515 3.729 20 0 EHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000185288332 1127423444 /nfs/dbraw/zinc/42/34/44/1127423444.db2.gz GNTODUINTLKTBM-WMZOPIPTSA-N 2 1 336.495 3.723 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1CC[NH3+] ZINC000404426667 1127433707 /nfs/dbraw/zinc/43/37/07/1127433707.db2.gz LZTINDFYDJAWHC-CXAGYDPISA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1CC[NH3+] ZINC000404426667 1127433710 /nfs/dbraw/zinc/43/37/10/1127433710.db2.gz LZTINDFYDJAWHC-CXAGYDPISA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1CC[NH3+] ZINC000404426674 1127433948 /nfs/dbraw/zinc/43/39/48/1127433948.db2.gz LZTINDFYDJAWHC-SUMWQHHRSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1CC[NH3+] ZINC000404426674 1127433951 /nfs/dbraw/zinc/43/39/51/1127433951.db2.gz LZTINDFYDJAWHC-SUMWQHHRSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298319 1127460751 /nfs/dbraw/zinc/46/07/51/1127460751.db2.gz OWHRXZZDRDUJLT-MSOLQXFVSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298319 1127460752 /nfs/dbraw/zinc/46/07/52/1127460752.db2.gz OWHRXZZDRDUJLT-MSOLQXFVSA-N 2 1 326.488 3.787 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000765358992 1127601302 /nfs/dbraw/zinc/60/13/02/1127601302.db2.gz JMYRWUOMQKYMSY-ZWOKBUDYSA-N 2 1 336.495 3.656 20 0 EHADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545656 1127682901 /nfs/dbraw/zinc/68/29/01/1127682901.db2.gz YOJCIWFECLAEDT-PKOBYXMFSA-N 2 1 336.483 3.823 20 0 EHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168585320 1128125625 /nfs/dbraw/zinc/12/56/25/1128125625.db2.gz HNXLTKMOPPLJNC-QUCCMNQESA-N 2 1 334.504 3.627 20 0 EHADMP CC(C)[NH2+]C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000108368584 1128131497 /nfs/dbraw/zinc/13/14/97/1128131497.db2.gz QMSIELXKOFPXTN-UHFFFAOYSA-N 2 1 344.421 3.937 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000166563115 1128171816 /nfs/dbraw/zinc/17/18/16/1128171816.db2.gz OPOUGFQVHHWFSO-YTQUADARSA-N 2 1 331.504 3.611 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000166563115 1128171820 /nfs/dbraw/zinc/17/18/20/1128171820.db2.gz OPOUGFQVHHWFSO-YTQUADARSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000671758284 1128236756 /nfs/dbraw/zinc/23/67/56/1128236756.db2.gz QTPSINPKFAUWDL-GHOZHQTGSA-N 2 1 330.516 3.977 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186365647 1128408220 /nfs/dbraw/zinc/40/82/20/1128408220.db2.gz SEEVGXIARJIXFM-KRWDZBQOSA-N 2 1 346.515 3.933 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000166505325 1128440398 /nfs/dbraw/zinc/44/03/98/1128440398.db2.gz SVGJSYPKPWOBKI-FCHUYYIVSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000166505325 1128440399 /nfs/dbraw/zinc/44/03/99/1128440399.db2.gz SVGJSYPKPWOBKI-FCHUYYIVSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000166505325 1128440401 /nfs/dbraw/zinc/44/04/01/1128440401.db2.gz SVGJSYPKPWOBKI-FCHUYYIVSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)[C@H]1c1cccs1 ZINC000921776186 1128751507 /nfs/dbraw/zinc/75/15/07/1128751507.db2.gz MQETZCABGUZKME-ZIVNCQHPSA-N 2 1 348.556 3.926 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)[C@H]1c1cccs1 ZINC000921776186 1128751510 /nfs/dbraw/zinc/75/15/10/1128751510.db2.gz MQETZCABGUZKME-ZIVNCQHPSA-N 2 1 348.556 3.926 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000109443458 1120112584 /nfs/dbraw/zinc/11/25/84/1120112584.db2.gz BEALZOGIYLZFNQ-IBGZPJMESA-N 2 1 331.504 3.731 20 0 EHADMP Cc1sc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000227817247 1120183690 /nfs/dbraw/zinc/18/36/90/1120183690.db2.gz NHDAIGLIWZNNAF-GFCCVEGCSA-N 2 1 331.323 3.639 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@H](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001648930720 1120237206 /nfs/dbraw/zinc/23/72/06/1120237206.db2.gz CAGRPMZZURCNRK-GOSISDBHSA-N 2 1 346.559 3.863 20 0 EHADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c(F)c1 ZINC000186859279 1120477342 /nfs/dbraw/zinc/47/73/42/1120477342.db2.gz LPBWNAFFINVBMJ-DLBZAZTESA-N 2 1 334.454 3.993 20 0 EHADMP Cc1ccc(OC(F)F)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000494578151 1120605501 /nfs/dbraw/zinc/60/55/01/1120605501.db2.gz HNUNRADVJBRIMW-UHFFFAOYSA-N 2 1 326.431 3.995 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000494591323 1120659061 /nfs/dbraw/zinc/65/90/61/1120659061.db2.gz IZPVEZVZKKGERF-MRXNPFEDSA-N 2 1 335.289 3.596 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168467580 1120722131 /nfs/dbraw/zinc/72/21/31/1120722131.db2.gz IWKYMIZQIFVEON-MAODMQOUSA-N 2 1 341.474 3.924 20 0 EHADMP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000494740339 1120755545 /nfs/dbraw/zinc/75/55/45/1120755545.db2.gz OYCDMYHMMGRLLL-YZKIPRNKSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(Cl)cs3)CC2)C[C@H](C)O1 ZINC000194359118 1120838286 /nfs/dbraw/zinc/83/82/86/1120838286.db2.gz DJHZMQWHKMEANA-OKILXGFUSA-N 2 1 342.936 3.723 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001235674264 1121663355 /nfs/dbraw/zinc/66/33/55/1121663355.db2.gz QSYLQGDIAOZZPA-NSHDSACASA-N 2 1 339.302 3.835 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001235724307 1121670313 /nfs/dbraw/zinc/67/03/13/1121670313.db2.gz MYIWRYVZGYEACB-UHFFFAOYSA-N 2 1 343.284 3.670 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCSC4)[C@H]3C2)cc1 ZINC000393909428 1121670606 /nfs/dbraw/zinc/67/06/06/1121670606.db2.gz AOIJEKZMUSQAQU-FYQPLNBISA-N 2 1 330.541 3.630 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000397344085 1121710651 /nfs/dbraw/zinc/71/06/51/1121710651.db2.gz XCITZSZAJPQDPE-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000397344085 1121710656 /nfs/dbraw/zinc/71/06/56/1121710656.db2.gz XCITZSZAJPQDPE-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000398000672 1121958077 /nfs/dbraw/zinc/95/80/77/1121958077.db2.gz VVHIGDHSNFTVHZ-AZUAARDMSA-N 2 1 330.516 3.572 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000126453243 1122407094 /nfs/dbraw/zinc/40/70/94/1122407094.db2.gz RBIYFIUAWZJCAA-CNNODRBYSA-N 3 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000126453243 1122407098 /nfs/dbraw/zinc/40/70/98/1122407098.db2.gz RBIYFIUAWZJCAA-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000126453243 1122407100 /nfs/dbraw/zinc/40/71/00/1122407100.db2.gz RBIYFIUAWZJCAA-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)c2)CC1 ZINC000126453243 1122407102 /nfs/dbraw/zinc/40/71/02/1122407102.db2.gz RBIYFIUAWZJCAA-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000126668063 1122417396 /nfs/dbraw/zinc/41/73/96/1122417396.db2.gz RWNDLESMYBJZCY-NHCUHLMSSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000126668226 1122417585 /nfs/dbraw/zinc/41/75/85/1122417585.db2.gz RWNDLESMYBJZCY-LEWJYISDSA-N 2 1 336.479 3.982 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000127383351 1122480936 /nfs/dbraw/zinc/48/09/36/1122480936.db2.gz NLTXKDPWFOPSQM-OAQYLSRUSA-N 2 1 341.499 3.614 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000127383351 1122480938 /nfs/dbraw/zinc/48/09/38/1122480938.db2.gz NLTXKDPWFOPSQM-OAQYLSRUSA-N 2 1 341.499 3.614 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000556178159 1122860965 /nfs/dbraw/zinc/86/09/65/1122860965.db2.gz DEGJBUOVOPUULH-BQJUDKOJSA-N 2 1 328.500 3.617 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000556178159 1122860969 /nfs/dbraw/zinc/86/09/69/1122860969.db2.gz DEGJBUOVOPUULH-BQJUDKOJSA-N 2 1 328.500 3.617 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000130651743 1122981373 /nfs/dbraw/zinc/98/13/73/1122981373.db2.gz GRULHWBJJXKYAL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000130651743 1122981374 /nfs/dbraw/zinc/98/13/74/1122981374.db2.gz GRULHWBJJXKYAL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Br ZINC000130651743 1122981378 /nfs/dbraw/zinc/98/13/78/1122981378.db2.gz GRULHWBJJXKYAL-HIFRSBDPSA-N 2 1 325.294 3.672 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000556858536 1123155581 /nfs/dbraw/zinc/15/55/81/1123155581.db2.gz QVVWQCSCTFSPHO-KKUMJFAQSA-N 2 1 328.378 3.548 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132342541 1123219619 /nfs/dbraw/zinc/21/96/19/1123219619.db2.gz JONBMWWONLJLQA-OAHLLOKOSA-N 2 1 329.410 3.799 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499139416 1123243793 /nfs/dbraw/zinc/24/37/93/1123243793.db2.gz OYTYEKWIBYODHW-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499139416 1123243797 /nfs/dbraw/zinc/24/37/97/1123243797.db2.gz OYTYEKWIBYODHW-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499139416 1123243802 /nfs/dbraw/zinc/24/38/02/1123243802.db2.gz OYTYEKWIBYODHW-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153866 1123253629 /nfs/dbraw/zinc/25/36/29/1123253629.db2.gz BACJHZAOQMQGBK-KJJMTIBFSA-N 2 1 348.490 3.775 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000136239737 1123679663 /nfs/dbraw/zinc/67/96/63/1123679663.db2.gz RQXQZRSWDKYVPD-KRWDZBQOSA-N 2 1 342.458 3.551 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000078421894 1129142637 /nfs/dbraw/zinc/14/26/37/1129142637.db2.gz KHDFRRPCMIDMOG-UHFFFAOYSA-N 2 1 340.515 3.512 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649295356 1123790449 /nfs/dbraw/zinc/79/04/49/1123790449.db2.gz CCVFPTULDVLKAD-GOSISDBHSA-N 2 1 345.874 3.820 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000245434388 1123825947 /nfs/dbraw/zinc/82/59/47/1123825947.db2.gz PTMNEMDWWRGRSW-JXFKEZNVSA-N 2 1 327.472 3.812 20 0 EHADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245775923 1123949529 /nfs/dbraw/zinc/94/95/29/1123949529.db2.gz YAZKPAPVRGQGPF-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245775923 1123949532 /nfs/dbraw/zinc/94/95/32/1123949532.db2.gz YAZKPAPVRGQGPF-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CC[NH+]1CCCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245775923 1123949536 /nfs/dbraw/zinc/94/95/36/1123949536.db2.gz YAZKPAPVRGQGPF-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000245809664 1123955501 /nfs/dbraw/zinc/95/55/01/1123955501.db2.gz ZDQMLOQBMRWWKX-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000245809664 1123955504 /nfs/dbraw/zinc/95/55/04/1123955504.db2.gz ZDQMLOQBMRWWKX-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000245809664 1123955505 /nfs/dbraw/zinc/95/55/05/1123955505.db2.gz ZDQMLOQBMRWWKX-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000246147412 1124031714 /nfs/dbraw/zinc/03/17/14/1124031714.db2.gz SNTCTSSJDFLUBY-SFTDATJTSA-N 2 1 348.506 3.884 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@@H](C)C1 ZINC000247190543 1124594680 /nfs/dbraw/zinc/59/46/80/1124594680.db2.gz ZZGLMDGXFMVIMX-LPHOPBHVSA-N 2 1 338.923 3.609 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(C)cc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247220136 1124595713 /nfs/dbraw/zinc/59/57/13/1124595713.db2.gz WJCQPVPYWVHSLV-HOCLYGCPSA-N 2 1 344.421 3.756 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247220136 1124595719 /nfs/dbraw/zinc/59/57/19/1124595719.db2.gz WJCQPVPYWVHSLV-HOCLYGCPSA-N 2 1 344.421 3.756 20 0 EHADMP COCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248001334 1124634266 /nfs/dbraw/zinc/63/42/66/1124634266.db2.gz KLDAGBVGJCSDNT-SFTDATJTSA-N 2 1 330.516 3.790 20 0 EHADMP COCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248001334 1124634268 /nfs/dbraw/zinc/63/42/68/1124634268.db2.gz KLDAGBVGJCSDNT-SFTDATJTSA-N 2 1 330.516 3.790 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163565 1124644282 /nfs/dbraw/zinc/64/42/82/1124644282.db2.gz SNNMQXORANUXJW-QHAWAJNXSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163565 1124644285 /nfs/dbraw/zinc/64/42/85/1124644285.db2.gz SNNMQXORANUXJW-QHAWAJNXSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163565 1124644294 /nfs/dbraw/zinc/64/42/94/1124644294.db2.gz SNNMQXORANUXJW-QHAWAJNXSA-N 2 1 328.500 3.542 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248396024 1124656282 /nfs/dbraw/zinc/65/62/82/1124656282.db2.gz GRAURUWPANCTCH-ZHHKINOHSA-N 2 1 344.543 3.675 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000248399125 1124656945 /nfs/dbraw/zinc/65/69/45/1124656945.db2.gz JRFRNPMXERBVDI-PMVMPFDFSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248406069 1124657871 /nfs/dbraw/zinc/65/78/71/1124657871.db2.gz RZJWCFNEPGWLPX-YTFSRNRJSA-N 2 1 349.522 3.823 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)c1ccccc1 ZINC000089594353 1124822123 /nfs/dbraw/zinc/82/21/23/1124822123.db2.gz PFVGAYPUMAMGGN-LJQANCHMSA-N 2 1 344.543 3.977 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206156 1124969490 /nfs/dbraw/zinc/96/94/90/1124969490.db2.gz AALOTFOWRRRFST-FUHWJXTLSA-N 2 1 327.447 3.611 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000353621288 1124982176 /nfs/dbraw/zinc/98/21/76/1124982176.db2.gz LQAAYCCJGTZWBW-KPFFTGBYSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCc3[nH]ncc32)C[N@@H+]1Cc1ccccc1 ZINC000353621288 1124982180 /nfs/dbraw/zinc/98/21/80/1124982180.db2.gz LQAAYCCJGTZWBW-KPFFTGBYSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCc3[nH]ncc32)C[N@H+]1Cc1ccccc1 ZINC000353621288 1124982188 /nfs/dbraw/zinc/98/21/88/1124982188.db2.gz LQAAYCCJGTZWBW-KPFFTGBYSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000922231955 1129383424 /nfs/dbraw/zinc/38/34/24/1129383424.db2.gz RBCLKWCGUFAJIO-HMXCVIKNSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000922231955 1129383427 /nfs/dbraw/zinc/38/34/27/1129383427.db2.gz RBCLKWCGUFAJIO-HMXCVIKNSA-N 2 1 346.515 3.562 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2nc3ccc(F)cc3s2)C1 ZINC000428871794 1129557519 /nfs/dbraw/zinc/55/75/19/1129557519.db2.gz JZFKLOHAJIZZIM-AWEZNQCLSA-N 2 1 335.492 3.893 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)cc1 ZINC000347881633 1129974099 /nfs/dbraw/zinc/97/40/99/1129974099.db2.gz SIAVGUPECLLIET-XLIONFOSSA-N 2 1 349.478 3.683 20 0 EHADMP CC1(O)CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000703018187 1130268503 /nfs/dbraw/zinc/26/85/03/1130268503.db2.gz PTLSMYJASGQEPM-MWXLCCTBSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000675749962 1130465380 /nfs/dbraw/zinc/46/53/80/1130465380.db2.gz HSHUSBYNGZGCQO-RTBURBONSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccncc1 ZINC000675928033 1130508966 /nfs/dbraw/zinc/50/89/66/1130508966.db2.gz QPTPDCQXGLGAMM-KRWDZBQOSA-N 2 1 341.474 3.621 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)CC[N@H+]1C ZINC000167473229 1130626267 /nfs/dbraw/zinc/62/62/67/1130626267.db2.gz BLVZDRCTSICLBC-YJBOKZPZSA-N 2 1 334.467 3.802 20 0 EHADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCCCn1cc[nH+]c1C ZINC000348047671 1131137404 /nfs/dbraw/zinc/13/74/04/1131137404.db2.gz PBDZYIOZJPNUEA-FQEVSTJZSA-N 2 1 327.472 3.990 20 0 EHADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000348047671 1131137406 /nfs/dbraw/zinc/13/74/06/1131137406.db2.gz PBDZYIOZJPNUEA-FQEVSTJZSA-N 2 1 327.472 3.990 20 0 EHADMP Cc1ccc(-c2cnn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2)cc1 ZINC000738071161 1131460229 /nfs/dbraw/zinc/46/02/29/1131460229.db2.gz JBJBCWDRNBPEPM-UHFFFAOYSA-N 2 1 338.499 3.624 20 0 EHADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576730 1131771310 /nfs/dbraw/zinc/77/13/10/1131771310.db2.gz PHJLZMBWHKONSC-SNVBAGLBSA-N 2 1 327.806 3.818 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172749805 1131831491 /nfs/dbraw/zinc/83/14/91/1131831491.db2.gz CYFYOLPKSYHCMH-WDSOQIARSA-N 2 1 338.536 3.869 20 0 EHADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@H](OC)C1 ZINC001172926603 1131908309 /nfs/dbraw/zinc/90/83/09/1131908309.db2.gz CAXPYMCLGQEYCF-WTGUMLROSA-N 2 1 346.515 3.725 20 0 EHADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@@H](OC)C1 ZINC001172926598 1131908317 /nfs/dbraw/zinc/90/83/17/1131908317.db2.gz CAXPYMCLGQEYCF-LWYYNNOASA-N 2 1 346.515 3.725 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172935065 1131910843 /nfs/dbraw/zinc/91/08/43/1131910843.db2.gz HEIAZLQKCGYCOG-ZWKOTPCHSA-N 2 1 348.556 3.994 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001173112936 1131970396 /nfs/dbraw/zinc/97/03/96/1131970396.db2.gz FFOSTLDIHKIJHI-HDYDNRTBSA-N 2 1 328.500 3.844 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@@H+]1C ZINC000743810158 1131978995 /nfs/dbraw/zinc/97/89/95/1131978995.db2.gz AOYIMMVUWHWTSZ-GOEBONIOSA-N 2 1 340.496 3.635 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@H+]1C ZINC000743810158 1131979001 /nfs/dbraw/zinc/97/90/01/1131979001.db2.gz AOYIMMVUWHWTSZ-GOEBONIOSA-N 2 1 340.496 3.635 20 0 EHADMP C[N@H+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872825 1131997810 /nfs/dbraw/zinc/99/78/10/1131997810.db2.gz AQJASPQCWWOPFG-JKSUJKDBSA-N 2 1 327.299 3.634 20 0 EHADMP C[N@@H+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872825 1131997817 /nfs/dbraw/zinc/99/78/17/1131997817.db2.gz AQJASPQCWWOPFG-JKSUJKDBSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872825 1131997830 /nfs/dbraw/zinc/99/78/30/1131997830.db2.gz AQJASPQCWWOPFG-JKSUJKDBSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872825 1131997834 /nfs/dbraw/zinc/99/78/34/1131997834.db2.gz AQJASPQCWWOPFG-JKSUJKDBSA-N 2 1 327.299 3.634 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173475459 1132074179 /nfs/dbraw/zinc/07/41/79/1132074179.db2.gz FPKSMNCESTVPFP-UHFFFAOYSA-N 2 1 346.396 3.521 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC001206212591 1132127147 /nfs/dbraw/zinc/12/71/47/1132127147.db2.gz SDECJORSPDJGCE-IAGOWNOFSA-N 2 1 333.838 3.663 20 0 EHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173718622 1132135897 /nfs/dbraw/zinc/13/58/97/1132135897.db2.gz BONLEAPIEIGDSI-NSISKUIASA-N 2 1 346.515 3.632 20 0 EHADMP c1ccc(C[N@H+]2CCC=C(Nc3cc[nH+]c(N4CCCC4)c3)C2)cc1 ZINC001174394532 1132329050 /nfs/dbraw/zinc/32/90/50/1132329050.db2.gz JQBFXTNYQIAQQU-UHFFFAOYSA-N 2 1 334.467 3.884 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001169094957 1132653614 /nfs/dbraw/zinc/65/36/14/1132653614.db2.gz NZNUPRIXUZRWLP-MZADTFQBSA-N 2 1 334.463 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001169094957 1132653617 /nfs/dbraw/zinc/65/36/17/1132653617.db2.gz NZNUPRIXUZRWLP-MZADTFQBSA-N 2 1 334.463 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001169098575 1132654581 /nfs/dbraw/zinc/65/45/81/1132654581.db2.gz IPQKPFUVHZOTMN-MZADTFQBSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](OCc3ccccc3)CC1)C2 ZINC001169078346 1132657194 /nfs/dbraw/zinc/65/71/94/1132657194.db2.gz DICNANPBLKNOOZ-GZYGRNMYSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCCCCC1)C2 ZINC001169089251 1132660538 /nfs/dbraw/zinc/66/05/38/1132660538.db2.gz ACMCARLCXBZRFY-OWZKRDHZSA-N 2 1 327.516 3.782 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119515 1132663909 /nfs/dbraw/zinc/66/39/09/1132663909.db2.gz SXDRFQIBFFWXBG-WARAAXDBSA-N 2 1 345.506 3.523 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119515 1132663912 /nfs/dbraw/zinc/66/39/12/1132663912.db2.gz SXDRFQIBFFWXBG-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119515 1132663915 /nfs/dbraw/zinc/66/39/15/1132663915.db2.gz SXDRFQIBFFWXBG-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119515 1132663919 /nfs/dbraw/zinc/66/39/19/1132663919.db2.gz SXDRFQIBFFWXBG-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169119515 1132663920 /nfs/dbraw/zinc/66/39/20/1132663920.db2.gz SXDRFQIBFFWXBG-WARAAXDBSA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146126 1132675467 /nfs/dbraw/zinc/67/54/67/1132675467.db2.gz OVXLWMBRZNDFOW-VUHPKUFZSA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146126 1132675471 /nfs/dbraw/zinc/67/54/71/1132675471.db2.gz OVXLWMBRZNDFOW-VUHPKUFZSA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146126 1132675476 /nfs/dbraw/zinc/67/54/76/1132675476.db2.gz OVXLWMBRZNDFOW-VUHPKUFZSA-N 2 1 334.891 3.808 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccc(F)cc3F)CC1)C2 ZINC001169152721 1132678987 /nfs/dbraw/zinc/67/89/87/1132678987.db2.gz DQUSOCKRHUYKSQ-BWTSREIZSA-N 2 1 334.454 3.845 20 0 EHADMP COc1cccc(CC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169155500 1132679921 /nfs/dbraw/zinc/67/99/21/1132679921.db2.gz PVVJOPFBQRSUOP-ACDBMABISA-N 2 1 328.500 3.575 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]31)C2 ZINC001169154713 1132680655 /nfs/dbraw/zinc/68/06/55/1132680655.db2.gz SQBJEUYMDRLNPA-YCOHNSLCSA-N 2 1 348.531 3.586 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]31)C2 ZINC001169154713 1132680659 /nfs/dbraw/zinc/68/06/59/1132680659.db2.gz SQBJEUYMDRLNPA-YCOHNSLCSA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]31)C2 ZINC001169154713 1132680665 /nfs/dbraw/zinc/68/06/65/1132680665.db2.gz SQBJEUYMDRLNPA-YCOHNSLCSA-N 2 1 348.531 3.586 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]31)C2 ZINC001169154713 1132680668 /nfs/dbraw/zinc/68/06/68/1132680668.db2.gz SQBJEUYMDRLNPA-YCOHNSLCSA-N 2 1 348.531 3.586 20 0 EHADMP C[C@H]1OC2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160801 1132682761 /nfs/dbraw/zinc/68/27/61/1132682761.db2.gz LKJYLVCRYDSWFH-BDXSIMOUSA-N 2 1 326.484 3.694 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206003417 1132685837 /nfs/dbraw/zinc/68/58/37/1132685837.db2.gz HRILYACFQCRTQG-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004045 1132687965 /nfs/dbraw/zinc/68/79/65/1132687965.db2.gz PEELZLCRBYTXHZ-ZYHUDNBSSA-N 2 1 336.348 3.790 20 0 EHADMP CCN1CCC([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241544 1132708040 /nfs/dbraw/zinc/70/80/40/1132708040.db2.gz POKXOSSZTBARGS-MXVIHJGJSA-N 2 1 329.532 3.551 20 0 EHADMP CC[NH+]1CCC([N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241544 1132708044 /nfs/dbraw/zinc/70/80/44/1132708044.db2.gz POKXOSSZTBARGS-MXVIHJGJSA-N 3 1 329.532 3.551 20 0 EHADMP CC[NH+]1CCC([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241544 1132708048 /nfs/dbraw/zinc/70/80/48/1132708048.db2.gz POKXOSSZTBARGS-MXVIHJGJSA-N 3 1 329.532 3.551 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715552 1132741156 /nfs/dbraw/zinc/74/11/56/1132741156.db2.gz QESIXQLZVNNQAI-NVXWUHKLSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715552 1132741161 /nfs/dbraw/zinc/74/11/61/1132741161.db2.gz QESIXQLZVNNQAI-NVXWUHKLSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715552 1132741166 /nfs/dbraw/zinc/74/11/66/1132741166.db2.gz QESIXQLZVNNQAI-NVXWUHKLSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715552 1132741173 /nfs/dbraw/zinc/74/11/73/1132741173.db2.gz QESIXQLZVNNQAI-NVXWUHKLSA-N 2 1 338.923 3.609 20 0 EHADMP CCCOc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001175770398 1132761442 /nfs/dbraw/zinc/76/14/42/1132761442.db2.gz ZDEMCVSOCIIYIK-KRWDZBQOSA-N 2 1 325.456 3.581 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001176282617 1132889685 /nfs/dbraw/zinc/88/96/85/1132889685.db2.gz ZRUGUANKDQGYTC-CQSZACIVSA-N 2 1 335.373 3.811 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001176282617 1132889693 /nfs/dbraw/zinc/88/96/93/1132889693.db2.gz ZRUGUANKDQGYTC-CQSZACIVSA-N 2 1 335.373 3.811 20 0 EHADMP Cn1nccc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001176517443 1132955594 /nfs/dbraw/zinc/95/55/94/1132955594.db2.gz XHRYSPRUPAHDCP-NRFANRHFSA-N 2 1 338.499 3.743 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001177459513 1133065222 /nfs/dbraw/zinc/06/52/22/1133065222.db2.gz RGKZEXMGMSWJDT-RDGPPVDQSA-N 2 1 332.532 3.972 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001177459513 1133065229 /nfs/dbraw/zinc/06/52/29/1133065229.db2.gz RGKZEXMGMSWJDT-RDGPPVDQSA-N 2 1 332.532 3.972 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177487785 1133069450 /nfs/dbraw/zinc/06/94/50/1133069450.db2.gz PFRJJALUOWLLSW-ZDUSSCGKSA-N 2 1 343.284 3.718 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177487785 1133069454 /nfs/dbraw/zinc/06/94/54/1133069454.db2.gz PFRJJALUOWLLSW-ZDUSSCGKSA-N 2 1 343.284 3.718 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206311838 1133118492 /nfs/dbraw/zinc/11/84/92/1133118492.db2.gz VTIXLSDOMWFHQW-INIZCTEOSA-N 2 1 325.294 3.708 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(F)cc(F)cc2Br)CC1 ZINC001206325759 1133156655 /nfs/dbraw/zinc/15/66/55/1133156655.db2.gz JHKVFBAUMIMMGR-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cc(F)cc2Br)CC1 ZINC001206325759 1133156658 /nfs/dbraw/zinc/15/66/58/1133156658.db2.gz JHKVFBAUMIMMGR-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000768920778 1133203794 /nfs/dbraw/zinc/20/37/94/1133203794.db2.gz PXLDPUTTYFNSGZ-UHFFFAOYSA-N 2 1 329.532 3.983 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000768920778 1133203799 /nfs/dbraw/zinc/20/37/99/1133203799.db2.gz PXLDPUTTYFNSGZ-UHFFFAOYSA-N 2 1 329.532 3.983 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C ZINC001179338119 1133246620 /nfs/dbraw/zinc/24/66/20/1133246620.db2.gz CESBJQIGAWMRAU-GHTZIAJQSA-N 2 1 338.495 3.861 20 0 EHADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CCCCO1 ZINC001179946721 1133304167 /nfs/dbraw/zinc/30/41/67/1133304167.db2.gz RBECZULYSNCJQV-NHCUHLMSSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CCCCO1 ZINC001179946721 1133304171 /nfs/dbraw/zinc/30/41/71/1133304171.db2.gz RBECZULYSNCJQV-NHCUHLMSSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CCCCO1 ZINC001179946721 1133304177 /nfs/dbraw/zinc/30/41/77/1133304177.db2.gz RBECZULYSNCJQV-NHCUHLMSSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+]1CCC(C[N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC001180053212 1133322113 /nfs/dbraw/zinc/32/21/13/1133322113.db2.gz XOLKPTVIYKZWNA-UHFFFAOYSA-N 2 1 339.321 3.655 20 0 EHADMP COC[C@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001180271085 1133352421 /nfs/dbraw/zinc/35/24/21/1133352421.db2.gz BKXHOENNRQSCDZ-RBBKRZOGSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001180271085 1133352427 /nfs/dbraw/zinc/35/24/27/1133352427.db2.gz BKXHOENNRQSCDZ-RBBKRZOGSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001180271085 1133352434 /nfs/dbraw/zinc/35/24/34/1133352434.db2.gz BKXHOENNRQSCDZ-RBBKRZOGSA-N 2 1 344.543 3.893 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000770349985 1133419236 /nfs/dbraw/zinc/41/92/36/1133419236.db2.gz CSSLAPCAQGUKIW-ICSRJNTNSA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000770349985 1133419240 /nfs/dbraw/zinc/41/92/40/1133419240.db2.gz CSSLAPCAQGUKIW-ICSRJNTNSA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@@H]21 ZINC000770349985 1133419243 /nfs/dbraw/zinc/41/92/43/1133419243.db2.gz CSSLAPCAQGUKIW-ICSRJNTNSA-N 2 1 327.516 3.593 20 0 EHADMP CC(C)[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](CO)C(C)C ZINC001181891582 1133547948 /nfs/dbraw/zinc/54/79/48/1133547948.db2.gz CPEGFZXOUXIOBM-JKLQHZFJSA-N 2 1 346.559 3.776 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1)CC1CC1 ZINC000771475595 1133559510 /nfs/dbraw/zinc/55/95/10/1133559510.db2.gz LUTSHQSJQXMOTN-JOCHJYFZSA-N 2 1 344.543 3.862 20 0 EHADMP CC1(C)CCC[N@H+]1CCN[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC001182309125 1133625450 /nfs/dbraw/zinc/62/54/50/1133625450.db2.gz NJYOCDNJCMXXHW-ACRUOGEOSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001182309125 1133625452 /nfs/dbraw/zinc/62/54/52/1133625452.db2.gz NJYOCDNJCMXXHW-ACRUOGEOSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CCC[NH+]1CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001182309125 1133625454 /nfs/dbraw/zinc/62/54/54/1133625454.db2.gz NJYOCDNJCMXXHW-ACRUOGEOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000774302935 1133654955 /nfs/dbraw/zinc/65/49/55/1133654955.db2.gz MJOZOBDRXSYDTB-ZNDGOPKYSA-N 2 1 327.516 3.956 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000774302935 1133654958 /nfs/dbraw/zinc/65/49/58/1133654958.db2.gz MJOZOBDRXSYDTB-ZNDGOPKYSA-N 2 1 327.516 3.956 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000774302935 1133654960 /nfs/dbraw/zinc/65/49/60/1133654960.db2.gz MJOZOBDRXSYDTB-ZNDGOPKYSA-N 2 1 327.516 3.956 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000774517814 1133703073 /nfs/dbraw/zinc/70/30/73/1133703073.db2.gz JNFMTHWQFRKALD-UHFFFAOYSA-N 2 1 327.472 3.800 20 0 EHADMP CO[C@@]1(C)C[C@H]1[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183000266 1133756224 /nfs/dbraw/zinc/75/62/24/1133756224.db2.gz MCCODBZQGILCJL-HLAWJBBLSA-N 2 1 330.516 3.692 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC001183428886 1133805336 /nfs/dbraw/zinc/80/53/36/1133805336.db2.gz MILVTNDEADCSCH-BAGYTPMASA-N 2 1 342.527 3.885 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC001183428886 1133805343 /nfs/dbraw/zinc/80/53/43/1133805343.db2.gz MILVTNDEADCSCH-BAGYTPMASA-N 2 1 342.527 3.885 20 0 EHADMP CC[C@H](C)[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698307 1133843186 /nfs/dbraw/zinc/84/31/86/1133843186.db2.gz XWQKACFHFPSSOM-KCLUMXDGSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@H](C)[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698307 1133843188 /nfs/dbraw/zinc/84/31/88/1133843188.db2.gz XWQKACFHFPSSOM-KCLUMXDGSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@H](C)[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698307 1133843191 /nfs/dbraw/zinc/84/31/91/1133843191.db2.gz XWQKACFHFPSSOM-KCLUMXDGSA-N 2 1 330.516 3.501 20 0 EHADMP CSCc1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1 ZINC001184396978 1133934531 /nfs/dbraw/zinc/93/45/31/1133934531.db2.gz AOEZCTIFROBOMV-BGYRXZFFSA-N 2 1 330.541 3.857 20 0 EHADMP CSCc1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cc1 ZINC001184396978 1133934536 /nfs/dbraw/zinc/93/45/36/1133934536.db2.gz AOEZCTIFROBOMV-BGYRXZFFSA-N 2 1 330.541 3.857 20 0 EHADMP CSCc1ccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)cc1 ZINC001184396978 1133934539 /nfs/dbraw/zinc/93/45/39/1133934539.db2.gz AOEZCTIFROBOMV-BGYRXZFFSA-N 2 1 330.541 3.857 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](C)C1 ZINC000787268340 1133986787 /nfs/dbraw/zinc/98/67/87/1133986787.db2.gz DWAXYZPCYGVPAK-WCQYABFASA-N 2 1 349.828 3.916 20 0 EHADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001170081849 1134080418 /nfs/dbraw/zinc/08/04/18/1134080418.db2.gz QERSFIYSAXPGLH-HMXCVIKNSA-N 2 1 336.564 3.882 20 0 EHADMP CC(C)CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001170081849 1134080424 /nfs/dbraw/zinc/08/04/24/1134080424.db2.gz QERSFIYSAXPGLH-HMXCVIKNSA-N 2 1 336.564 3.882 20 0 EHADMP CC(C)CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001170081849 1134080432 /nfs/dbraw/zinc/08/04/32/1134080432.db2.gz QERSFIYSAXPGLH-HMXCVIKNSA-N 2 1 336.564 3.882 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000774876995 1134086804 /nfs/dbraw/zinc/08/68/04/1134086804.db2.gz HIUSVOGSOSFXQO-UHFFFAOYSA-N 2 1 325.294 3.531 20 0 EHADMP COc1ccc([C@H](C)[NH2+]Cc2cc(C)n[nH]2)cc1C[NH+]1CCCCC1 ZINC000775392593 1134710464 /nfs/dbraw/zinc/71/04/64/1134710464.db2.gz GXTJQWNAIUJSNS-INIZCTEOSA-N 2 1 342.487 3.563 20 0 EHADMP [NH3+]CCc1ccccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170333836 1134751312 /nfs/dbraw/zinc/75/13/12/1134751312.db2.gz VNVMYWBNZSCZEB-MZADTFQBSA-N 2 1 335.495 3.795 20 0 EHADMP CO[C@@H]1CCC[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000792874536 1134808389 /nfs/dbraw/zinc/80/83/89/1134808389.db2.gz UQDFBHNTSWFWQG-PZJWPPBQSA-N 2 1 345.531 3.834 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521981 1134878985 /nfs/dbraw/zinc/87/89/85/1134878985.db2.gz YIAZEIPBXRNXIL-VXKWHMMOSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521981 1134878991 /nfs/dbraw/zinc/87/89/91/1134878991.db2.gz YIAZEIPBXRNXIL-VXKWHMMOSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521981 1134879000 /nfs/dbraw/zinc/87/90/00/1134879000.db2.gz YIAZEIPBXRNXIL-VXKWHMMOSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521981 1134879007 /nfs/dbraw/zinc/87/90/07/1134879007.db2.gz YIAZEIPBXRNXIL-VXKWHMMOSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC001191521981 1134879016 /nfs/dbraw/zinc/87/90/16/1134879016.db2.gz YIAZEIPBXRNXIL-VXKWHMMOSA-N 2 1 341.543 3.589 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](Cc2ccccc2C)C2CC2)cn1 ZINC000793526833 1134947085 /nfs/dbraw/zinc/94/70/85/1134947085.db2.gz XVFHQLKEBVSGQD-NRFANRHFSA-N 2 1 346.478 3.995 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000793526391 1134947591 /nfs/dbraw/zinc/94/75/91/1134947591.db2.gz RHMNBAWWDQBEIU-WMZOPIPTSA-N 2 1 340.515 3.811 20 0 EHADMP CC(C)c1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC001170449952 1135065248 /nfs/dbraw/zinc/06/52/48/1135065248.db2.gz BMUJROUFOYAMNF-UHFFFAOYSA-N 2 1 333.524 3.729 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205628258 1135133068 /nfs/dbraw/zinc/13/30/68/1135133068.db2.gz UEPHOGSDIZKIFD-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205628258 1135133072 /nfs/dbraw/zinc/13/30/72/1135133072.db2.gz UEPHOGSDIZKIFD-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC(C)(C)C1 ZINC001194042016 1135219865 /nfs/dbraw/zinc/21/98/65/1135219865.db2.gz JIBNFCANDRLTPH-PMACEKPBSA-N 2 1 330.516 3.788 20 0 EHADMP Clc1cccc2c1CC[C@H]2[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195535647 1135437364 /nfs/dbraw/zinc/43/73/64/1135437364.db2.gz LIWUOURFWJKRAN-LJQANCHMSA-N 2 1 327.859 3.935 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195893428 1135482073 /nfs/dbraw/zinc/48/20/73/1135482073.db2.gz NJOWXSGDBSJTQF-QFIPXVFZSA-N 2 1 342.527 3.921 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195893428 1135482076 /nfs/dbraw/zinc/48/20/76/1135482076.db2.gz NJOWXSGDBSJTQF-QFIPXVFZSA-N 2 1 342.527 3.921 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001197798011 1135738064 /nfs/dbraw/zinc/73/80/64/1135738064.db2.gz KHYMMSHZPVECCF-SFHVURJKSA-N 2 1 338.499 3.629 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC001199238208 1135889124 /nfs/dbraw/zinc/88/91/24/1135889124.db2.gz LXOKABLTAZQUSZ-UHFFFAOYSA-N 2 1 343.515 3.557 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001199344120 1135896284 /nfs/dbraw/zinc/89/62/84/1135896284.db2.gz FJAYCIORVKBNNO-URVUXULASA-N 2 1 343.559 3.609 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1 ZINC001199328629 1135898365 /nfs/dbraw/zinc/89/83/65/1135898365.db2.gz CCJIUHBAPUNLHR-DENIHFKCSA-N 2 1 343.559 3.883 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(OC(F)F)cc1F)C[NH+]1CCCCC1 ZINC001199580840 1135912517 /nfs/dbraw/zinc/91/25/17/1135912517.db2.gz BHPHTBYRXHAHTI-CYBMUJFWSA-N 2 1 330.394 3.639 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000105449301 1135947740 /nfs/dbraw/zinc/94/77/40/1135947740.db2.gz DWQJBMPBLMUQGB-UHFFFAOYSA-N 2 1 338.455 3.720 20 0 EHADMP CCCCC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201731734 1136061934 /nfs/dbraw/zinc/06/19/34/1136061934.db2.gz USUPQZCVMXVKLX-SFHVURJKSA-N 2 1 337.458 3.805 20 0 EHADMP CCCCC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201731734 1136061938 /nfs/dbraw/zinc/06/19/38/1136061938.db2.gz USUPQZCVMXVKLX-SFHVURJKSA-N 2 1 337.458 3.805 20 0 EHADMP CCCCC[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201731734 1136061942 /nfs/dbraw/zinc/06/19/42/1136061942.db2.gz USUPQZCVMXVKLX-SFHVURJKSA-N 2 1 337.458 3.805 20 0 EHADMP CCCCC[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201731734 1136061944 /nfs/dbraw/zinc/06/19/44/1136061944.db2.gz USUPQZCVMXVKLX-SFHVURJKSA-N 2 1 337.458 3.805 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001202073296 1136095523 /nfs/dbraw/zinc/09/55/23/1136095523.db2.gz MAFSBAZMMJXDAM-QGZVFWFLSA-N 2 1 334.504 3.771 20 0 EHADMP CC(C)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(=O)OC(C)(C)C ZINC000850565456 1136286762 /nfs/dbraw/zinc/28/67/62/1136286762.db2.gz BWHMDWGTIJMYMV-OOKSDGMUSA-N 2 1 338.536 3.595 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789023 1136362470 /nfs/dbraw/zinc/36/24/70/1136362470.db2.gz GRNKLOFTNOWMLJ-AHSZXGJYSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813881844 1136372237 /nfs/dbraw/zinc/37/22/37/1136372237.db2.gz WGTWCASFOPHANS-FDKRGKGCSA-N 2 1 342.527 3.977 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170717744 1136386276 /nfs/dbraw/zinc/38/62/76/1136386276.db2.gz WSYXLVKRHKGXCC-QGZVFWFLSA-N 2 1 334.454 3.772 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001138005331 1136486414 /nfs/dbraw/zinc/48/64/14/1136486414.db2.gz XLYSGMMVVXTWGG-UHFFFAOYSA-N 2 1 328.834 3.926 20 0 EHADMP COCc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000853241099 1136521376 /nfs/dbraw/zinc/52/13/76/1136521376.db2.gz ULMJGGPMMZISQQ-SJLPKXTDSA-N 2 1 346.515 3.614 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815054860 1136540253 /nfs/dbraw/zinc/54/02/53/1136540253.db2.gz NILOZXMHVLAUGM-UWJYYQICSA-N 2 1 326.484 3.537 20 0 EHADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000854222227 1136599106 /nfs/dbraw/zinc/59/91/06/1136599106.db2.gz DGNAATYWGRQZTC-ORQFMDKSSA-N 2 1 344.396 3.982 20 0 EHADMP CCc1nc(C(C)C)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000338974527 1136699289 /nfs/dbraw/zinc/69/92/89/1136699289.db2.gz ZNRSGUDHPRLCTC-UHFFFAOYSA-N 2 1 340.515 3.956 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000429527027 1136751379 /nfs/dbraw/zinc/75/13/79/1136751379.db2.gz IVLQOVCNMIJPOO-GOSISDBHSA-N 2 1 332.488 3.558 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000429527027 1136751381 /nfs/dbraw/zinc/75/13/81/1136751381.db2.gz IVLQOVCNMIJPOO-GOSISDBHSA-N 2 1 332.488 3.558 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccsc3C)C2)ccn1 ZINC000856547714 1136794181 /nfs/dbraw/zinc/79/41/81/1136794181.db2.gz CCGUQWGTMXLDEI-LJQANCHMSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccsc3C)C2)ccn1 ZINC000856547714 1136794184 /nfs/dbraw/zinc/79/41/84/1136794184.db2.gz CCGUQWGTMXLDEI-LJQANCHMSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccsc3C)C2)ccn1 ZINC000856547714 1136794187 /nfs/dbraw/zinc/79/41/87/1136794187.db2.gz CCGUQWGTMXLDEI-LJQANCHMSA-N 2 1 345.512 3.557 20 0 EHADMP CCOc1cncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000856768121 1136808587 /nfs/dbraw/zinc/80/85/87/1136808587.db2.gz PWNFZFOJTXALHD-UHFFFAOYSA-N 2 1 331.504 3.615 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000817896618 1136843896 /nfs/dbraw/zinc/84/38/96/1136843896.db2.gz METISSDJTSERNA-BRWVUGGUSA-N 2 1 337.250 3.761 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000817896621 1136844180 /nfs/dbraw/zinc/84/41/80/1136844180.db2.gz METISSDJTSERNA-ZACQAIPSSA-N 2 1 337.250 3.761 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000817897657 1136844271 /nfs/dbraw/zinc/84/42/71/1136844271.db2.gz UZCXACQSRJFFAQ-BHIFYINESA-N 3 1 347.591 3.932 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000817906044 1136845194 /nfs/dbraw/zinc/84/51/94/1136845194.db2.gz XDHRECWUGLKJCS-ZACQAIPSSA-N 2 1 337.250 3.761 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCCCC2=O)cc1 ZINC000817932023 1136847074 /nfs/dbraw/zinc/84/70/74/1136847074.db2.gz PJLOOQGPPKOJAH-RVHYNSKXSA-N 2 1 349.478 3.999 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101489 1136908566 /nfs/dbraw/zinc/90/85/66/1136908566.db2.gz VHNKOIKBONGGHF-LSBZLQRGSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101489 1136908571 /nfs/dbraw/zinc/90/85/71/1136908571.db2.gz VHNKOIKBONGGHF-LSBZLQRGSA-N 2 1 348.487 3.593 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000819078931 1136911413 /nfs/dbraw/zinc/91/14/13/1136911413.db2.gz OFVGTFDFFWSYHN-XMSQKQJNSA-N 2 1 338.495 3.844 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490201 1136972541 /nfs/dbraw/zinc/97/25/41/1136972541.db2.gz CVKXEJSTEWWDNW-NWDGAFQWSA-N 2 1 330.303 3.958 20 0 EHADMP C[N@H+]1CCC[C@H](CNC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000820810388 1137005223 /nfs/dbraw/zinc/00/52/23/1137005223.db2.gz WDVNLDHBDOIGRD-XCSKNGGISA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000820810388 1137005225 /nfs/dbraw/zinc/00/52/25/1137005225.db2.gz WDVNLDHBDOIGRD-XCSKNGGISA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000820810388 1137005226 /nfs/dbraw/zinc/00/52/26/1137005226.db2.gz WDVNLDHBDOIGRD-XCSKNGGISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820824844 1137007379 /nfs/dbraw/zinc/00/73/79/1137007379.db2.gz VSFDHNSVHVWFJH-XSLAUPDRSA-N 2 1 344.543 3.959 20 0 EHADMP c1ccc(COC2CC([NH+]3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000821355620 1137024340 /nfs/dbraw/zinc/02/43/40/1137024340.db2.gz WINSFVMXOGHMRT-UHFFFAOYSA-N 2 1 328.500 3.685 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170968555 1137031750 /nfs/dbraw/zinc/03/17/50/1137031750.db2.gz FFAXOWWLIHTZDL-SFHVURJKSA-N 2 1 342.433 3.772 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)o1 ZINC000823931909 1137120010 /nfs/dbraw/zinc/12/00/10/1137120010.db2.gz SOAANWZKHCWVGD-QGZVFWFLSA-N 2 1 336.520 3.890 20 0 EHADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000824767086 1137151142 /nfs/dbraw/zinc/15/11/42/1137151142.db2.gz ZMZCXZVEEWYCPB-INIZCTEOSA-N 2 1 327.299 3.825 20 0 EHADMP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc[nH+]cc3C(F)(F)F)c2C1 ZINC001171095428 1137188077 /nfs/dbraw/zinc/18/80/77/1137188077.db2.gz UBIIGFLLAWDNBA-NSHDSACASA-N 2 1 331.341 3.860 20 0 EHADMP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222452 1137203665 /nfs/dbraw/zinc/20/36/65/1137203665.db2.gz FIPUFIHWYTXUMX-RBUKOAKNSA-N 2 1 341.499 3.970 20 0 EHADMP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000844222452 1137203666 /nfs/dbraw/zinc/20/36/66/1137203666.db2.gz FIPUFIHWYTXUMX-RBUKOAKNSA-N 2 1 341.499 3.970 20 0 EHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC001143989895 1137226095 /nfs/dbraw/zinc/22/60/95/1137226095.db2.gz AGFFCOWKYUOXKS-UHFFFAOYSA-N 2 1 332.797 3.886 20 0 EHADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171139304 1137238365 /nfs/dbraw/zinc/23/83/65/1137238365.db2.gz LAZMSGFBNPJKTJ-LSDHHAIUSA-N 2 1 327.299 3.925 20 0 EHADMP Cc1c(O)cccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001144117557 1137240029 /nfs/dbraw/zinc/24/00/29/1137240029.db2.gz GSDLKIWPBBFSGQ-QFIPXVFZSA-N 2 1 336.479 3.799 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001144117557 1137240031 /nfs/dbraw/zinc/24/00/31/1137240031.db2.gz GSDLKIWPBBFSGQ-QFIPXVFZSA-N 2 1 336.479 3.799 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001144117557 1137240032 /nfs/dbraw/zinc/24/00/32/1137240032.db2.gz GSDLKIWPBBFSGQ-QFIPXVFZSA-N 2 1 336.479 3.799 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171140197 1137240264 /nfs/dbraw/zinc/24/02/64/1137240264.db2.gz VQIIOGVPQUUOLF-HNNXBMFYSA-N 2 1 327.299 3.925 20 0 EHADMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001144494976 1137300799 /nfs/dbraw/zinc/30/07/99/1137300799.db2.gz IWKKFNTZOSMGHO-MRXNPFEDSA-N 2 1 332.831 3.705 20 0 EHADMP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000865717969 1137306393 /nfs/dbraw/zinc/30/63/93/1137306393.db2.gz QJRUDUNXFHNLDI-FGZHOGPDSA-N 3 1 341.543 3.505 20 0 EHADMP C[C@@]1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@]1(F)Cl ZINC000846037872 1137328545 /nfs/dbraw/zinc/32/85/45/1137328545.db2.gz MYNHUEPDLAFLGZ-MOPGFXCFSA-N 2 1 338.898 3.988 20 0 EHADMP C[C@H](CCc1cncc2ccccc21)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000866373637 1137350490 /nfs/dbraw/zinc/35/04/90/1137350490.db2.gz OTYYTQYFOUBKFC-MSOLQXFVSA-N 2 1 325.500 3.877 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000866538672 1137362879 /nfs/dbraw/zinc/36/28/79/1137362879.db2.gz UUEXKXBKWGQOEN-ZRCAFCQKSA-N 2 1 339.483 3.894 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704190 1137374728 /nfs/dbraw/zinc/37/47/28/1137374728.db2.gz MQCRWKGPFXWPGW-UTKZUKDTSA-N 2 1 345.531 3.636 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)c1 ZINC000866704190 1137374730 /nfs/dbraw/zinc/37/47/30/1137374730.db2.gz MQCRWKGPFXWPGW-UTKZUKDTSA-N 2 1 345.531 3.636 20 0 EHADMP Cc1ccc2c(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)cc(=O)oc2c1C ZINC000866706036 1137374850 /nfs/dbraw/zinc/37/48/50/1137374850.db2.gz FMKYAWQEXPDXGZ-NRFANRHFSA-N 2 1 342.483 3.607 20 0 EHADMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC001246839905 1137389343 /nfs/dbraw/zinc/38/93/43/1137389343.db2.gz KTILCLMUYJMDRA-JKSUJKDBSA-N 2 1 325.294 3.802 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000282731809 1137442886 /nfs/dbraw/zinc/44/28/86/1137442886.db2.gz DORAZRDBVYWBDP-UWJYYQICSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000282731809 1137442887 /nfs/dbraw/zinc/44/28/87/1137442887.db2.gz DORAZRDBVYWBDP-UWJYYQICSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000282731809 1137442888 /nfs/dbraw/zinc/44/28/88/1137442888.db2.gz DORAZRDBVYWBDP-UWJYYQICSA-N 2 1 340.515 3.558 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1F ZINC000773029494 1137460407 /nfs/dbraw/zinc/46/04/07/1137460407.db2.gz JUEITHJHFYDLCF-AEFFLSMTSA-N 2 1 340.458 3.629 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716629457 1137487857 /nfs/dbraw/zinc/48/78/57/1137487857.db2.gz YZLPSCPACALVTR-BZNRXQDOSA-N 2 1 335.495 3.655 20 0 EHADMP C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1nccs1 ZINC000716701602 1137488718 /nfs/dbraw/zinc/48/87/18/1137488718.db2.gz SCALWDOGDDXUMJ-BVBHFADKSA-N 2 1 341.524 3.889 20 0 EHADMP COc1cccc2c(C[NH3+])cn([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171734153 1137510141 /nfs/dbraw/zinc/51/01/41/1137510141.db2.gz MBQUNJLAHSAPIE-VQIMIIECSA-N 2 1 349.478 3.944 20 0 EHADMP C[C@H]1C[C@@H](n2c(-c3ccccc3)cnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171739358 1137510931 /nfs/dbraw/zinc/51/09/31/1137510931.db2.gz CBOKRAGBVCXQFQ-FXAWDEMLSA-N 2 1 346.478 3.844 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2cnc3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC001171962476 1137519892 /nfs/dbraw/zinc/51/98/92/1137519892.db2.gz DRDOQLDUYSHOSV-IBGZPJMESA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2cnc3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC001171962476 1137519893 /nfs/dbraw/zinc/51/98/93/1137519893.db2.gz DRDOQLDUYSHOSV-IBGZPJMESA-N 2 1 348.494 3.867 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963924 1137520127 /nfs/dbraw/zinc/52/01/27/1137520127.db2.gz FVXVBDVKHXLWQM-SFHVURJKSA-N 2 1 346.515 3.751 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977300 1137525144 /nfs/dbraw/zinc/52/51/44/1137525144.db2.gz PVYLHMIOVDWXNW-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977300 1137525145 /nfs/dbraw/zinc/52/51/45/1137525145.db2.gz PVYLHMIOVDWXNW-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976716 1137525249 /nfs/dbraw/zinc/52/52/49/1137525249.db2.gz MVUIPBVIABDUKV-SLYNCCJLSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976716 1137525250 /nfs/dbraw/zinc/52/52/50/1137525250.db2.gz MVUIPBVIABDUKV-SLYNCCJLSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976716 1137525252 /nfs/dbraw/zinc/52/52/52/1137525252.db2.gz MVUIPBVIABDUKV-SLYNCCJLSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977102 1137525361 /nfs/dbraw/zinc/52/53/61/1137525361.db2.gz XHNOSNDBOXGJPD-PMACEKPBSA-N 2 1 346.515 3.562 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171979758 1137525762 /nfs/dbraw/zinc/52/57/62/1137525762.db2.gz QOYFQYNYDLTNRW-VAMGGRTRSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@](C)(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977990 1137526004 /nfs/dbraw/zinc/52/60/04/1137526004.db2.gz VOVAFWDZMBGWPL-TZIWHRDSSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977990 1137526005 /nfs/dbraw/zinc/52/60/05/1137526005.db2.gz VOVAFWDZMBGWPL-TZIWHRDSSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)(O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977990 1137526007 /nfs/dbraw/zinc/52/60/07/1137526007.db2.gz VOVAFWDZMBGWPL-TZIWHRDSSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3CCCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979183 1137526194 /nfs/dbraw/zinc/52/61/94/1137526194.db2.gz CUEIBEKDYPUFGL-HBMCJLEFSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3CCCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979183 1137526196 /nfs/dbraw/zinc/52/61/96/1137526196.db2.gz CUEIBEKDYPUFGL-HBMCJLEFSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979183 1137526198 /nfs/dbraw/zinc/52/61/98/1137526198.db2.gz CUEIBEKDYPUFGL-HBMCJLEFSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3CCCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979187 1137526288 /nfs/dbraw/zinc/52/62/88/1137526288.db2.gz CUEIBEKDYPUFGL-PWRODBHTSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979187 1137526289 /nfs/dbraw/zinc/52/62/89/1137526289.db2.gz CUEIBEKDYPUFGL-PWRODBHTSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979187 1137526290 /nfs/dbraw/zinc/52/62/90/1137526290.db2.gz CUEIBEKDYPUFGL-PWRODBHTSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979962 1137526381 /nfs/dbraw/zinc/52/63/81/1137526381.db2.gz HCIFDEGJGKYRJE-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979962 1137526382 /nfs/dbraw/zinc/52/63/82/1137526382.db2.gz HCIFDEGJGKYRJE-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979962 1137526384 /nfs/dbraw/zinc/52/63/84/1137526384.db2.gz HCIFDEGJGKYRJE-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171982735 1137526743 /nfs/dbraw/zinc/52/67/43/1137526743.db2.gz SRHIJGNSSUWVDO-VAMGGRTRSA-N 2 1 330.516 3.665 20 0 EHADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171982735 1137526744 /nfs/dbraw/zinc/52/67/44/1137526744.db2.gz SRHIJGNSSUWVDO-VAMGGRTRSA-N 2 1 330.516 3.665 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982735 1137526745 /nfs/dbraw/zinc/52/67/45/1137526745.db2.gz SRHIJGNSSUWVDO-VAMGGRTRSA-N 2 1 330.516 3.665 20 0 EHADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982735 1137526746 /nfs/dbraw/zinc/52/67/46/1137526746.db2.gz SRHIJGNSSUWVDO-VAMGGRTRSA-N 2 1 330.516 3.665 20 0 EHADMP CCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984581 1137527368 /nfs/dbraw/zinc/52/73/68/1137527368.db2.gz NMILHXBNFBSMOY-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP OCC[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172073728 1137529971 /nfs/dbraw/zinc/52/99/71/1137529971.db2.gz BXEBZVVNFHKBIB-YUMYIRISSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172073728 1137529973 /nfs/dbraw/zinc/52/99/73/1137529973.db2.gz BXEBZVVNFHKBIB-YUMYIRISSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172073728 1137529974 /nfs/dbraw/zinc/52/99/74/1137529974.db2.gz BXEBZVVNFHKBIB-YUMYIRISSA-N 2 1 342.527 3.667 20 0 EHADMP C[NH+](C)[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074276 1137530038 /nfs/dbraw/zinc/53/00/38/1137530038.db2.gz GXGRJBZLPOROFR-CIAFKFPVSA-N 2 1 341.543 3.598 20 0 EHADMP CO[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074201 1137530079 /nfs/dbraw/zinc/53/00/79/1137530079.db2.gz GENKKBKDUYNAOV-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074201 1137530080 /nfs/dbraw/zinc/53/00/80/1137530080.db2.gz GENKKBKDUYNAOV-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074201 1137530082 /nfs/dbraw/zinc/53/00/82/1137530082.db2.gz GENKKBKDUYNAOV-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074201 1137530084 /nfs/dbraw/zinc/53/00/84/1137530084.db2.gz GENKKBKDUYNAOV-IVAOSVALSA-N 2 1 328.500 3.683 20 0 EHADMP CC[N@H+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172080329 1137531065 /nfs/dbraw/zinc/53/10/65/1137531065.db2.gz UARKUNLPUHODJH-KOUNCHBCSA-N 2 1 341.543 3.600 20 0 EHADMP CC[NH+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172080329 1137531067 /nfs/dbraw/zinc/53/10/67/1137531067.db2.gz UARKUNLPUHODJH-KOUNCHBCSA-N 2 1 341.543 3.600 20 0 EHADMP CC[NH+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172080329 1137531069 /nfs/dbraw/zinc/53/10/69/1137531069.db2.gz UARKUNLPUHODJH-KOUNCHBCSA-N 2 1 341.543 3.600 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082516 1137531442 /nfs/dbraw/zinc/53/14/42/1137531442.db2.gz KXAWNFPGNPEZMZ-KGWSWXIGSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082516 1137531444 /nfs/dbraw/zinc/53/14/44/1137531444.db2.gz KXAWNFPGNPEZMZ-KGWSWXIGSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082516 1137531446 /nfs/dbraw/zinc/53/14/46/1137531446.db2.gz KXAWNFPGNPEZMZ-KGWSWXIGSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082516 1137531448 /nfs/dbraw/zinc/53/14/48/1137531448.db2.gz KXAWNFPGNPEZMZ-KGWSWXIGSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082116 1137531484 /nfs/dbraw/zinc/53/14/84/1137531484.db2.gz JMBWWRBEDOEJCS-ITBHCLRTSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082116 1137531485 /nfs/dbraw/zinc/53/14/85/1137531485.db2.gz JMBWWRBEDOEJCS-ITBHCLRTSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082116 1137531486 /nfs/dbraw/zinc/53/14/86/1137531486.db2.gz JMBWWRBEDOEJCS-ITBHCLRTSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082116 1137531487 /nfs/dbraw/zinc/53/14/87/1137531487.db2.gz JMBWWRBEDOEJCS-ITBHCLRTSA-N 2 1 340.511 3.683 20 0 EHADMP CO[C@H](C)C1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086574 1137532159 /nfs/dbraw/zinc/53/21/59/1137532159.db2.gz HLOVXRBHJWXIDX-RZXSNQJFSA-N 2 1 328.500 3.539 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172101891 1137532453 /nfs/dbraw/zinc/53/24/53/1137532453.db2.gz IBLXMCQETCPONZ-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172101891 1137532454 /nfs/dbraw/zinc/53/24/54/1137532454.db2.gz IBLXMCQETCPONZ-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172101891 1137532455 /nfs/dbraw/zinc/53/24/55/1137532455.db2.gz IBLXMCQETCPONZ-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2ccncc2)C3)cc1 ZINC001172064382 1137533170 /nfs/dbraw/zinc/53/31/70/1137533170.db2.gz FOAOTNVMOXHPKX-DKUWSORSSA-N 2 1 335.495 3.799 20 0 EHADMP C[N@H+]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172066145 1137533625 /nfs/dbraw/zinc/53/36/25/1137533625.db2.gz UFHQZIIMAPVANS-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066145 1137533626 /nfs/dbraw/zinc/53/36/26/1137533626.db2.gz UFHQZIIMAPVANS-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066145 1137533628 /nfs/dbraw/zinc/53/36/28/1137533628.db2.gz UFHQZIIMAPVANS-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC1)OCCc1ccccc13)C2 ZINC001172127128 1137534859 /nfs/dbraw/zinc/53/48/59/1137534859.db2.gz GXUKJONGIRLXOH-ACDBMABISA-N 2 1 340.511 3.566 20 0 EHADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069927 1137535214 /nfs/dbraw/zinc/53/52/14/1137535214.db2.gz VXVIYLZHEFIBPC-MJUUVYJYSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069927 1137535215 /nfs/dbraw/zinc/53/52/15/1137535215.db2.gz VXVIYLZHEFIBPC-MJUUVYJYSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001172069927 1137535217 /nfs/dbraw/zinc/53/52/17/1137535217.db2.gz VXVIYLZHEFIBPC-MJUUVYJYSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001172069927 1137535219 /nfs/dbraw/zinc/53/52/19/1137535219.db2.gz VXVIYLZHEFIBPC-MJUUVYJYSA-N 2 1 328.500 3.683 20 0 EHADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128779 1137535411 /nfs/dbraw/zinc/53/54/11/1137535411.db2.gz UBSHHYRWMYGVRI-MBDNFAEBSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128779 1137535412 /nfs/dbraw/zinc/53/54/12/1137535412.db2.gz UBSHHYRWMYGVRI-MBDNFAEBSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128779 1137535414 /nfs/dbraw/zinc/53/54/14/1137535414.db2.gz UBSHHYRWMYGVRI-MBDNFAEBSA-N 2 1 341.543 3.598 20 0 EHADMP COc1cccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172131859 1137535738 /nfs/dbraw/zinc/53/57/38/1137535738.db2.gz ZCEYGGACMPLFQV-ACDBMABISA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172131859 1137535740 /nfs/dbraw/zinc/53/57/40/1137535740.db2.gz ZCEYGGACMPLFQV-ACDBMABISA-N 2 1 328.500 3.890 20 0 EHADMP Cc1ccc([C@@]2(C)C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001172128540 1137535785 /nfs/dbraw/zinc/53/57/85/1137535785.db2.gz SCRTVBJIKNOMMW-PLACYPQZSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@@]2(C)C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001172128540 1137535786 /nfs/dbraw/zinc/53/57/86/1137535786.db2.gz SCRTVBJIKNOMMW-PLACYPQZSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@@]2(C)C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128540 1137535788 /nfs/dbraw/zinc/53/57/88/1137535788.db2.gz SCRTVBJIKNOMMW-PLACYPQZSA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@@]2(C)C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128540 1137535789 /nfs/dbraw/zinc/53/57/89/1137535789.db2.gz SCRTVBJIKNOMMW-PLACYPQZSA-N 2 1 328.500 3.558 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001206156978 1137536823 /nfs/dbraw/zinc/53/68/23/1137536823.db2.gz UXWKVGJRRVWUFB-WOJBJXKFSA-N 2 1 328.431 3.527 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001172109959 1137537268 /nfs/dbraw/zinc/53/72/68/1137537268.db2.gz HJCUCMPCYAUACR-ACDBMABISA-N 2 1 346.490 3.522 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001172109959 1137537270 /nfs/dbraw/zinc/53/72/70/1137537270.db2.gz HJCUCMPCYAUACR-ACDBMABISA-N 2 1 346.490 3.522 20 0 EHADMP COc1ccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)cc1 ZINC001172112176 1137537720 /nfs/dbraw/zinc/53/77/20/1137537720.db2.gz TVKNBENIOBYUKX-LDLYASANSA-N 2 1 328.500 3.765 20 0 EHADMP COc1ccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001172112176 1137537722 /nfs/dbraw/zinc/53/77/22/1137537722.db2.gz TVKNBENIOBYUKX-LDLYASANSA-N 2 1 328.500 3.765 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001172113699 1137537908 /nfs/dbraw/zinc/53/79/08/1137537908.db2.gz JDBQBVBDTZWBIY-HAGHYFMRSA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001172113699 1137537909 /nfs/dbraw/zinc/53/79/09/1137537909.db2.gz JDBQBVBDTZWBIY-HAGHYFMRSA-N 2 1 347.934 3.519 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CSc2ccccc2C1 ZINC001172200175 1137543501 /nfs/dbraw/zinc/54/35/01/1137543501.db2.gz IKNDCELFWDAPSJ-QFBILLFUSA-N 2 1 326.509 3.800 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001172253311 1137544705 /nfs/dbraw/zinc/54/47/05/1137544705.db2.gz KNGIRKORGCSSIJ-QGZVFWFLSA-N 2 1 336.907 3.630 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001172253311 1137544706 /nfs/dbraw/zinc/54/47/06/1137544706.db2.gz KNGIRKORGCSSIJ-QGZVFWFLSA-N 2 1 336.907 3.630 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CO1 ZINC001172286073 1137547873 /nfs/dbraw/zinc/54/78/73/1137547873.db2.gz XDPFQUYAIAHNMJ-MRXNPFEDSA-N 2 1 334.529 3.604 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001172415127 1137556129 /nfs/dbraw/zinc/55/61/29/1137556129.db2.gz VSHPJXVKXRWXHO-CQSZACIVSA-N 2 1 344.421 3.770 20 0 EHADMP c1ccc2c(c1)CCCC[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000872033825 1137566642 /nfs/dbraw/zinc/56/66/42/1137566642.db2.gz GMVCNUJENHYEMN-FCHUYYIVSA-N 2 1 342.527 3.557 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC23CC3)cc1 ZINC000872105758 1137571250 /nfs/dbraw/zinc/57/12/50/1137571250.db2.gz BKFCVUOEDPZODP-ANULTFPQSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC23CC3)cc1 ZINC000872105758 1137571251 /nfs/dbraw/zinc/57/12/51/1137571251.db2.gz BKFCVUOEDPZODP-ANULTFPQSA-N 2 1 340.511 3.731 20 0 EHADMP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158909 1137574479 /nfs/dbraw/zinc/57/44/79/1137574479.db2.gz ZEKRBUWAFYSNHJ-YQQAZPJKSA-N 2 1 334.508 3.874 20 0 EHADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158909 1137574480 /nfs/dbraw/zinc/57/44/80/1137574480.db2.gz ZEKRBUWAFYSNHJ-YQQAZPJKSA-N 2 1 334.508 3.874 20 0 EHADMP CC1(O)CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877075880 1137669510 /nfs/dbraw/zinc/66/95/10/1137669510.db2.gz QZQXTWSZVURQTA-WNKNEZEQSA-N 2 1 328.500 3.638 20 0 EHADMP CC1(O)CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877075880 1137669511 /nfs/dbraw/zinc/66/95/11/1137669511.db2.gz QZQXTWSZVURQTA-WNKNEZEQSA-N 2 1 328.500 3.638 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CSCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877086673 1137669820 /nfs/dbraw/zinc/66/98/20/1137669820.db2.gz QSIRCWZGMLKWEF-QRQLOZEOSA-N 2 1 348.581 3.793 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CSCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877086673 1137669821 /nfs/dbraw/zinc/66/98/21/1137669821.db2.gz QSIRCWZGMLKWEF-QRQLOZEOSA-N 2 1 348.581 3.793 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC000877495942 1137678555 /nfs/dbraw/zinc/67/85/55/1137678555.db2.gz HUYNSEIALBWVEV-UHFFFAOYSA-N 2 1 328.287 3.696 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)CC1 ZINC000877495942 1137678556 /nfs/dbraw/zinc/67/85/56/1137678556.db2.gz HUYNSEIALBWVEV-UHFFFAOYSA-N 2 1 328.287 3.696 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529938 1137679976 /nfs/dbraw/zinc/67/99/76/1137679976.db2.gz ABFXNWMHZZLQHK-QAPCUYQASA-N 2 1 347.503 3.806 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529938 1137679977 /nfs/dbraw/zinc/67/99/77/1137679977.db2.gz ABFXNWMHZZLQHK-QAPCUYQASA-N 2 1 347.503 3.806 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529938 1137679978 /nfs/dbraw/zinc/67/99/78/1137679978.db2.gz ABFXNWMHZZLQHK-QAPCUYQASA-N 2 1 347.503 3.806 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529938 1137679979 /nfs/dbraw/zinc/67/99/79/1137679979.db2.gz ABFXNWMHZZLQHK-QAPCUYQASA-N 2 1 347.503 3.806 20 0 EHADMP Clc1ccc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000878125007 1137703394 /nfs/dbraw/zinc/70/33/94/1137703394.db2.gz LINQLDMIVFJOKY-OAHLLOKOSA-N 2 1 329.875 3.806 20 0 EHADMP Clc1ccc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000878125007 1137703395 /nfs/dbraw/zinc/70/33/95/1137703395.db2.gz LINQLDMIVFJOKY-OAHLLOKOSA-N 2 1 329.875 3.806 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652906 1137723821 /nfs/dbraw/zinc/72/38/21/1137723821.db2.gz VVWRENFBFRJENS-ACRUOGEOSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652906 1137723822 /nfs/dbraw/zinc/72/38/22/1137723822.db2.gz VVWRENFBFRJENS-ACRUOGEOSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652906 1137723823 /nfs/dbraw/zinc/72/38/23/1137723823.db2.gz VVWRENFBFRJENS-ACRUOGEOSA-N 2 1 328.500 3.715 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578187 1137751690 /nfs/dbraw/zinc/75/16/90/1137751690.db2.gz BQHACZNHWBALNN-UYAOXDASSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578187 1137751691 /nfs/dbraw/zinc/75/16/91/1137751691.db2.gz BQHACZNHWBALNN-UYAOXDASSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578187 1137751692 /nfs/dbraw/zinc/75/16/92/1137751692.db2.gz BQHACZNHWBALNN-UYAOXDASSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578187 1137751693 /nfs/dbraw/zinc/75/16/93/1137751693.db2.gz BQHACZNHWBALNN-UYAOXDASSA-N 2 1 340.515 3.541 20 0 EHADMP COc1cncc(/C=C/CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000879950739 1137763053 /nfs/dbraw/zinc/76/30/53/1137763053.db2.gz AYUKGWHJYMNJQF-XBXARRHUSA-N 2 1 343.515 3.834 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880142858 1137769232 /nfs/dbraw/zinc/76/92/32/1137769232.db2.gz VFPBKJSLKZQNQX-NHCUHLMSSA-N 2 1 340.515 3.684 20 0 EHADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130623727 1137840181 /nfs/dbraw/zinc/84/01/81/1137840181.db2.gz NHVBEJDWXDASLM-INIZCTEOSA-N 2 1 342.487 3.666 20 0 EHADMP CC[C@H](C)c1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130623727 1137840182 /nfs/dbraw/zinc/84/01/82/1137840182.db2.gz NHVBEJDWXDASLM-INIZCTEOSA-N 2 1 342.487 3.666 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC4(CC4)C3)CC2)oc1C ZINC000883188915 1137847744 /nfs/dbraw/zinc/84/77/44/1137847744.db2.gz SXNAHHKXLXNGNB-SFHVURJKSA-N 2 1 331.504 3.816 20 0 EHADMP COc1ccsc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282835926 1137870322 /nfs/dbraw/zinc/87/03/22/1137870322.db2.gz VEXORTNTLRRBRF-CQSZACIVSA-N 2 1 331.485 3.669 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)CCCC2)CC1 ZINC000348238841 1137872249 /nfs/dbraw/zinc/87/22/49/1137872249.db2.gz GDKKKQGWJRCCHN-FPOVZHCZSA-N 2 1 342.527 3.803 20 0 EHADMP Cc1ccc2nc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)ccc2c1 ZINC001137218738 1138006852 /nfs/dbraw/zinc/00/68/52/1138006852.db2.gz KGRCHKZCLXCWSV-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1OC ZINC000886060170 1138036611 /nfs/dbraw/zinc/03/66/11/1138036611.db2.gz WPOYOAMMDBXEEK-DLBZAZTESA-N 2 1 346.515 3.755 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1OC ZINC000886060170 1138036613 /nfs/dbraw/zinc/03/66/13/1138036613.db2.gz WPOYOAMMDBXEEK-DLBZAZTESA-N 2 1 346.515 3.755 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2CC)CC1 ZINC000052208324 1138045740 /nfs/dbraw/zinc/04/57/40/1138045740.db2.gz CFVHFAGVOLQHOP-UHFFFAOYSA-N 2 1 345.531 3.631 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2CC)CC1 ZINC000052208324 1138045743 /nfs/dbraw/zinc/04/57/43/1138045743.db2.gz CFVHFAGVOLQHOP-UHFFFAOYSA-N 2 1 345.531 3.631 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886532220 1138091182 /nfs/dbraw/zinc/09/11/82/1138091182.db2.gz GFPSIOOZLFUCFA-FFGOWVMKSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1cccc(CCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886609117 1138101420 /nfs/dbraw/zinc/10/14/20/1138101420.db2.gz MJVWJBDGDFBNTQ-WWNPGLIZSA-N 2 1 349.522 3.965 20 0 EHADMP CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OCC1CC1 ZINC000886624869 1138103082 /nfs/dbraw/zinc/10/30/82/1138103082.db2.gz BUPXQMCMKRNFOG-HBMCJLEFSA-N 2 1 342.527 3.834 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000092165872 1138225576 /nfs/dbraw/zinc/22/55/76/1138225576.db2.gz FEDISGYPPOLSBP-UHFFFAOYSA-N 2 1 340.471 3.575 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000092165872 1138225578 /nfs/dbraw/zinc/22/55/78/1138225578.db2.gz FEDISGYPPOLSBP-UHFFFAOYSA-N 2 1 340.471 3.575 20 0 EHADMP Cc1n[nH]c(C)c1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000124060013 1138278551 /nfs/dbraw/zinc/27/85/51/1138278551.db2.gz PQLHHDTUUVNOSR-BEFAXECRSA-N 2 1 326.488 3.511 20 0 EHADMP Cc1n[nH]c(C)c1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000124060013 1138278554 /nfs/dbraw/zinc/27/85/54/1138278554.db2.gz PQLHHDTUUVNOSR-BEFAXECRSA-N 2 1 326.488 3.511 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3c(Cl)cnn3C)cc2)C1 ZINC000130496163 1138458535 /nfs/dbraw/zinc/45/85/35/1138458535.db2.gz USHVCOHNQGGVNC-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2)C1 ZINC000130496163 1138458538 /nfs/dbraw/zinc/45/85/38/1138458538.db2.gz USHVCOHNQGGVNC-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2)C1 ZINC000130496163 1138458539 /nfs/dbraw/zinc/45/85/39/1138458539.db2.gz USHVCOHNQGGVNC-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP CCCCc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)cs1 ZINC000337079074 1138462102 /nfs/dbraw/zinc/46/21/02/1138462102.db2.gz TZOFGGNEHPWKPJ-WMZOPIPTSA-N 2 1 329.513 3.660 20 0 EHADMP CCCCc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)cs1 ZINC000337079074 1138462103 /nfs/dbraw/zinc/46/21/03/1138462103.db2.gz TZOFGGNEHPWKPJ-WMZOPIPTSA-N 2 1 329.513 3.660 20 0 EHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000337945434 1138703729 /nfs/dbraw/zinc/70/37/29/1138703729.db2.gz JRJMQPKORMKREB-MRXNPFEDSA-N 2 1 346.494 3.993 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)c2)CCO1 ZINC000337991748 1138718487 /nfs/dbraw/zinc/71/84/87/1138718487.db2.gz WXUCHFWWJJITNS-TYCQWZJGSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)c2)CCO1 ZINC000337991748 1138718489 /nfs/dbraw/zinc/71/84/89/1138718489.db2.gz WXUCHFWWJJITNS-TYCQWZJGSA-N 2 1 328.500 3.576 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000338008733 1138722912 /nfs/dbraw/zinc/72/29/12/1138722912.db2.gz UEDPWODNEFJCKK-INIZCTEOSA-N 2 1 348.288 3.930 20 0 EHADMP Cc1noc(C)c1C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000152103491 1139073804 /nfs/dbraw/zinc/07/38/04/1139073804.db2.gz JGKZOVDSIVNRSL-MRXNPFEDSA-N 2 1 341.499 3.519 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152472083 1139093319 /nfs/dbraw/zinc/09/33/19/1139093319.db2.gz FIGMFJNRMCESCT-NWDGAFQWSA-N 2 1 328.378 3.562 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152472083 1139093327 /nfs/dbraw/zinc/09/33/27/1139093327.db2.gz FIGMFJNRMCESCT-NWDGAFQWSA-N 2 1 328.378 3.562 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178701698 1139713130 /nfs/dbraw/zinc/71/31/30/1139713130.db2.gz QSDGGWSMJZVXOQ-JKSUJKDBSA-N 2 1 337.471 3.673 20 0 EHADMP CC(C)n1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000179389706 1139754185 /nfs/dbraw/zinc/75/41/85/1139754185.db2.gz OJSUDBINGOYCDT-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000180110169 1139810067 /nfs/dbraw/zinc/81/00/67/1139810067.db2.gz SGHKFTQKYUWOCH-BHGTWAMESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000180110169 1139810074 /nfs/dbraw/zinc/81/00/74/1139810074.db2.gz SGHKFTQKYUWOCH-BHGTWAMESA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000180110169 1139810084 /nfs/dbraw/zinc/81/00/84/1139810084.db2.gz SGHKFTQKYUWOCH-BHGTWAMESA-N 3 1 341.543 3.504 20 0 EHADMP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180161489 1139815188 /nfs/dbraw/zinc/81/51/88/1139815188.db2.gz VGGVPLKOXOCTTK-IHWFROFDSA-N 2 1 328.500 3.588 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000180641281 1139852851 /nfs/dbraw/zinc/85/28/51/1139852851.db2.gz IIUMUBQJTPZMPQ-LEWJYISDSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182947766 1140003853 /nfs/dbraw/zinc/00/38/53/1140003853.db2.gz AYOMDCFUCUKHQZ-AWEZNQCLSA-N 2 1 344.330 3.624 20 0 EHADMP COCCC[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183775583 1140057480 /nfs/dbraw/zinc/05/74/80/1140057480.db2.gz DQPNQZAQOMHDOA-UHFFFAOYSA-N 2 1 336.479 3.847 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000185717622 1140166516 /nfs/dbraw/zinc/16/65/16/1140166516.db2.gz NNZGRMGRVNDESR-UHFFFAOYSA-N 2 1 339.483 3.624 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCS2 ZINC000187758309 1140269662 /nfs/dbraw/zinc/26/96/62/1140269662.db2.gz YICMQRFAPJKBGT-RDTXWAMCSA-N 2 1 332.513 3.696 20 0 EHADMP CC1CC[NH+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187778741 1140271158 /nfs/dbraw/zinc/27/11/58/1140271158.db2.gz SUKQRLXVCGSHLJ-LJQANCHMSA-N 2 1 344.478 3.740 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc(Br)cc1Cl)C2 ZINC000192748575 1140549149 /nfs/dbraw/zinc/54/91/49/1140549149.db2.gz ZQZCPNVTYDXDSD-AGUYFDCRSA-N 2 1 343.696 3.817 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCSCc2ccccc2)cn1 ZINC000193903003 1140589567 /nfs/dbraw/zinc/58/95/67/1140589567.db2.gz VQZIHMXPAPZZHE-UHFFFAOYSA-N 2 1 338.480 3.599 20 0 EHADMP C=Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000194217997 1140602853 /nfs/dbraw/zinc/60/28/53/1140602853.db2.gz FJUPSVGYHVLDFK-QZTJIDSGSA-N 2 1 338.499 3.751 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000268841151 1141005609 /nfs/dbraw/zinc/00/56/09/1141005609.db2.gz ICRBNFRTDRJQLJ-LBPRGKRZSA-N 2 1 327.350 3.831 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c(C)n1 ZINC000268867267 1141011724 /nfs/dbraw/zinc/01/17/24/1141011724.db2.gz WWXIKTAPPUMSIZ-OAHLLOKOSA-N 2 1 326.488 3.784 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000268913068 1141024288 /nfs/dbraw/zinc/02/42/88/1141024288.db2.gz ZHZKQGWTYPOFBW-LLVKDONJSA-N 2 1 340.240 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076060 1141060777 /nfs/dbraw/zinc/06/07/77/1141060777.db2.gz YNQYMRNXJAXJDS-YVWKXTFCSA-N 2 1 344.524 3.598 20 0 EHADMP C[NH+](CCCCCC[N@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000271053944 1141301405 /nfs/dbraw/zinc/30/14/05/1141301405.db2.gz YQGUQYHGUKUJOV-UHFFFAOYSA-N 2 1 326.488 3.601 20 0 EHADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000271151936 1141315546 /nfs/dbraw/zinc/31/55/46/1141315546.db2.gz QJSFXUKCAZBRBX-HKUYNNGSSA-N 2 1 328.500 3.778 20 0 EHADMP CCn1nc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000274480634 1141541043 /nfs/dbraw/zinc/54/10/43/1141541043.db2.gz XLFMWGUILZALDT-UHFFFAOYSA-N 2 1 348.494 3.942 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)ccn1 ZINC000348686255 1141566654 /nfs/dbraw/zinc/56/66/54/1141566654.db2.gz SCHFMPDCNGUMAF-JTDSTZFVSA-N 2 1 331.504 3.784 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000019912846 212084073 /nfs/dbraw/zinc/08/40/73/212084073.db2.gz AGMSTTJPIYMCDZ-CQSZACIVSA-N 2 1 325.294 3.803 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000019912846 212084076 /nfs/dbraw/zinc/08/40/76/212084076.db2.gz AGMSTTJPIYMCDZ-CQSZACIVSA-N 2 1 325.294 3.803 20 0 EHADMP Cc1[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc2[nH]ccc21 ZINC001164627971 719093356 /nfs/dbraw/zinc/09/33/56/719093356.db2.gz LNRSFIBQAQCMAN-NQIIRXRSSA-N 2 1 346.478 3.972 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)nc1 ZINC001164637885 719251370 /nfs/dbraw/zinc/25/13/70/719251370.db2.gz XCJBIJNAMXEZMU-ZIFCJYIRSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc1 ZINC001164637885 719251373 /nfs/dbraw/zinc/25/13/73/719251373.db2.gz XCJBIJNAMXEZMU-ZIFCJYIRSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc1 ZINC001164637885 719251377 /nfs/dbraw/zinc/25/13/77/719251377.db2.gz XCJBIJNAMXEZMU-ZIFCJYIRSA-N 2 1 330.520 3.547 20 0 EHADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305772415 1125463289 /nfs/dbraw/zinc/46/32/89/1125463289.db2.gz SVQZYAKZGJZEQB-PWIZWCRZSA-N 2 1 346.515 3.504 20 0 EHADMP Fc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904476969 1032072466 /nfs/dbraw/zinc/07/24/66/1032072466.db2.gz VNQQDDWMBKMDQU-PKOBYXMFSA-N 2 1 346.833 3.825 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661982 1032078881 /nfs/dbraw/zinc/07/88/81/1032078881.db2.gz JPRKLECMGKYSPV-HIFRSBDPSA-N 2 1 330.394 3.890 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661982 1032078899 /nfs/dbraw/zinc/07/88/99/1032078899.db2.gz JPRKLECMGKYSPV-HIFRSBDPSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661982 1032078908 /nfs/dbraw/zinc/07/89/08/1032078908.db2.gz JPRKLECMGKYSPV-HIFRSBDPSA-N 2 1 330.394 3.890 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000536661982 1032078921 /nfs/dbraw/zinc/07/89/21/1032078921.db2.gz JPRKLECMGKYSPV-HIFRSBDPSA-N 2 1 330.394 3.890 20 0 EHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Oc2cccnc2)cc1 ZINC000584299858 1032083505 /nfs/dbraw/zinc/08/35/05/1032083505.db2.gz XMYAOMQUXJQOTQ-INIZCTEOSA-N 2 1 336.439 3.891 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1OC(F)F ZINC000643546005 1014477537 /nfs/dbraw/zinc/47/75/37/1014477537.db2.gz GZWJSWXBMHOUPM-DGCLKSJQSA-N 2 1 328.378 3.752 20 0 EHADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000643547037 1014484798 /nfs/dbraw/zinc/48/47/98/1014484798.db2.gz YTDVQAFZGPUABW-HOTGVXAUSA-N 2 1 342.405 3.657 20 0 EHADMP COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643546446 1014483086 /nfs/dbraw/zinc/48/30/86/1014483086.db2.gz OYRCPPKEGAWDHY-OLZOCXBDSA-N 2 1 338.879 3.683 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449065124 1032108626 /nfs/dbraw/zinc/10/86/26/1032108626.db2.gz XVYMYFBRTBMGHE-MRXNPFEDSA-N 2 1 344.478 3.580 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449065124 1032108635 /nfs/dbraw/zinc/10/86/35/1032108635.db2.gz XVYMYFBRTBMGHE-MRXNPFEDSA-N 2 1 344.478 3.580 20 0 EHADMP CC[NH+]1CCC(C[NH+]2CC(Oc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001208603338 1015054746 /nfs/dbraw/zinc/05/47/46/1015054746.db2.gz BNZNWBYDPFJEIM-UHFFFAOYSA-N 2 1 342.405 3.500 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000154687896 1015768125 /nfs/dbraw/zinc/76/81/25/1015768125.db2.gz AQDNZPAKASEEAU-VCBZYWHSSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)CC[N@H+]1C ZINC000155013770 1016056372 /nfs/dbraw/zinc/05/63/72/1016056372.db2.gz MFEOLFREPVVWCA-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449086491 1032142270 /nfs/dbraw/zinc/14/22/70/1032142270.db2.gz BRBQDQVWWTYMIK-LBPRGKRZSA-N 2 1 337.439 3.520 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449086491 1032142274 /nfs/dbraw/zinc/14/22/74/1032142274.db2.gz BRBQDQVWWTYMIK-LBPRGKRZSA-N 2 1 337.439 3.520 20 0 EHADMP Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597382 1016345081 /nfs/dbraw/zinc/34/50/81/1016345081.db2.gz PFXNRONAUOZZKX-SFHVURJKSA-N 2 1 336.479 3.977 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000588178639 1016414812 /nfs/dbraw/zinc/41/48/12/1016414812.db2.gz HWMSPMWHKCHHBS-HXUWFJFHSA-N 2 1 348.490 3.964 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3F)C2)CC1 ZINC001204469987 1016663706 /nfs/dbraw/zinc/66/37/06/1016663706.db2.gz RZTKWZNKUVFMSW-UHFFFAOYSA-N 2 1 330.369 3.762 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340234647 1016751585 /nfs/dbraw/zinc/75/15/85/1016751585.db2.gz BJAWMQQFIPAUJQ-ZMWHVPEISA-N 2 1 328.500 3.729 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000536696636 1032151045 /nfs/dbraw/zinc/15/10/45/1032151045.db2.gz ANTASIFQTZXKJO-GOSISDBHSA-N 2 1 330.516 3.954 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000536696636 1032151055 /nfs/dbraw/zinc/15/10/55/1032151055.db2.gz ANTASIFQTZXKJO-GOSISDBHSA-N 2 1 330.516 3.954 20 0 EHADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000536696024 1032154779 /nfs/dbraw/zinc/15/47/79/1032154779.db2.gz RAKQYUUOTUOXPF-SFHVURJKSA-N 2 1 328.500 3.708 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2O1 ZINC000536696024 1032154784 /nfs/dbraw/zinc/15/47/84/1032154784.db2.gz RAKQYUUOTUOXPF-SFHVURJKSA-N 2 1 328.500 3.708 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000536695735 1032155351 /nfs/dbraw/zinc/15/53/51/1032155351.db2.gz BMJSTEKQYOXNRA-UHFFFAOYSA-N 2 1 336.495 3.705 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449076491 1032165357 /nfs/dbraw/zinc/16/53/57/1032165357.db2.gz SXKOBJLVWTYXNG-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000449079142 1032169919 /nfs/dbraw/zinc/16/99/19/1032169919.db2.gz XGPURWMZAVAUEC-QGZVFWFLSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449079142 1032169929 /nfs/dbraw/zinc/16/99/29/1032169929.db2.gz XGPURWMZAVAUEC-QGZVFWFLSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000449079142 1032169932 /nfs/dbraw/zinc/16/99/32/1032169932.db2.gz XGPURWMZAVAUEC-QGZVFWFLSA-N 3 1 335.580 3.740 20 0 EHADMP c1nc(CCc2ccccc2)sc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449089908 1032194091 /nfs/dbraw/zinc/19/40/91/1032194091.db2.gz LTULANYCFJETBL-MSOLQXFVSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449089908 1032194101 /nfs/dbraw/zinc/19/41/01/1032194101.db2.gz LTULANYCFJETBL-MSOLQXFVSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449089908 1032194112 /nfs/dbraw/zinc/19/41/12/1032194112.db2.gz LTULANYCFJETBL-MSOLQXFVSA-N 2 1 341.524 3.645 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449090345 1032195173 /nfs/dbraw/zinc/19/51/73/1032195173.db2.gz NEPYHPQUCGCQRE-UHFFFAOYSA-N 2 1 330.432 3.634 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631056 1032208582 /nfs/dbraw/zinc/20/85/82/1032208582.db2.gz QWVKYJRFUCVQQP-MBMVPVEPSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379631056 1032208595 /nfs/dbraw/zinc/20/85/95/1032208595.db2.gz QWVKYJRFUCVQQP-MBMVPVEPSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379631056 1032208601 /nfs/dbraw/zinc/20/86/01/1032208601.db2.gz QWVKYJRFUCVQQP-MBMVPVEPSA-N 3 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631056 1032208615 /nfs/dbraw/zinc/20/86/15/1032208615.db2.gz QWVKYJRFUCVQQP-MBMVPVEPSA-N 3 1 341.543 3.550 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449136641 1032233243 /nfs/dbraw/zinc/23/32/43/1032233243.db2.gz BZXFZTZQRGMRFL-APWZRJJASA-N 2 1 330.472 3.659 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850244 1032259476 /nfs/dbraw/zinc/25/94/76/1032259476.db2.gz GQZFAUWMWZBDCZ-LSDHHAIUSA-N 2 1 340.458 3.677 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850244 1032259487 /nfs/dbraw/zinc/25/94/87/1032259487.db2.gz GQZFAUWMWZBDCZ-LSDHHAIUSA-N 2 1 340.458 3.677 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000449159564 1032259588 /nfs/dbraw/zinc/25/95/88/1032259588.db2.gz HHVKSXYREOBNTG-JFIYKMOQSA-N 2 1 334.529 3.822 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H]1c1cccs1 ZINC000449159564 1032259603 /nfs/dbraw/zinc/25/96/03/1032259603.db2.gz HHVKSXYREOBNTG-JFIYKMOQSA-N 2 1 334.529 3.822 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000538407743 1032351807 /nfs/dbraw/zinc/35/18/07/1032351807.db2.gz JQSQYBNDJZSTEY-KRWDZBQOSA-N 2 1 335.289 3.752 20 0 EHADMP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000905123456 1032353336 /nfs/dbraw/zinc/35/33/36/1032353336.db2.gz YPMVJSLUGVSOQL-AVRDEDQJSA-N 2 1 338.495 3.844 20 0 EHADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536862900 1032363571 /nfs/dbraw/zinc/36/35/71/1032363571.db2.gz KZZUXDCFDRLVCJ-MFCZKXCZSA-N 2 1 334.479 3.538 20 0 EHADMP CCCCCN(C)c1ccc(F)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000538445153 1032370492 /nfs/dbraw/zinc/37/04/92/1032370492.db2.gz GQKRVVPKXVPTPT-UHFFFAOYSA-N 2 1 333.495 3.804 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C(C)C)no2)CC1)CC(C)C ZINC000536888023 1032396489 /nfs/dbraw/zinc/39/64/89/1032396489.db2.gz JOLKVKLMHRWQNP-UHFFFAOYSA-N 2 1 336.524 3.773 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C(C)C)no2)CC1)CC(C)C ZINC000536888023 1032396501 /nfs/dbraw/zinc/39/65/01/1032396501.db2.gz JOLKVKLMHRWQNP-UHFFFAOYSA-N 2 1 336.524 3.773 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000537000017 1032477761 /nfs/dbraw/zinc/47/77/61/1032477761.db2.gz JNKRQVYAHVKYAB-RBUKOAKNSA-N 2 1 338.923 3.864 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000459796041 1032479261 /nfs/dbraw/zinc/47/92/61/1032479261.db2.gz VZBGIDMAUNVLAH-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798362 1032479854 /nfs/dbraw/zinc/47/98/54/1032479854.db2.gz XLPYMNBZFBCVBM-CABCVRRESA-N 2 1 328.422 3.958 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)o1 ZINC000892748208 1017309183 /nfs/dbraw/zinc/30/91/83/1017309183.db2.gz AUPDZYJIVKWGGP-UHFFFAOYSA-N 2 1 328.456 3.954 20 0 EHADMP CCC[NH+]1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095504 1032509055 /nfs/dbraw/zinc/50/90/55/1032509055.db2.gz AVZWZMRURIUCPR-TZIWHRDSSA-N 3 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000537095504 1032509064 /nfs/dbraw/zinc/50/90/64/1032509064.db2.gz AVZWZMRURIUCPR-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP CCCN1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000537095504 1032509075 /nfs/dbraw/zinc/50/90/75/1032509075.db2.gz AVZWZMRURIUCPR-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000657860410 1032559326 /nfs/dbraw/zinc/55/93/26/1032559326.db2.gz HBBZADBDMXBBBX-CQSZACIVSA-N 2 1 328.472 3.638 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000657860410 1032559328 /nfs/dbraw/zinc/55/93/28/1032559328.db2.gz HBBZADBDMXBBBX-CQSZACIVSA-N 2 1 328.472 3.638 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2o1 ZINC000537342320 1032642895 /nfs/dbraw/zinc/64/28/95/1032642895.db2.gz AFCBGIJHKDOGJH-WIYYLYMNSA-N 2 1 344.499 3.956 20 0 EHADMP Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000683474612 1017218809 /nfs/dbraw/zinc/21/88/09/1017218809.db2.gz NWGRMWCLEVYEPZ-OAQYLSRUSA-N 2 1 336.479 3.504 20 0 EHADMP Cc1noc(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377197495 1017417966 /nfs/dbraw/zinc/41/79/66/1017417966.db2.gz MIQLVCOZJDRSRU-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP Cc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415055783 1017478738 /nfs/dbraw/zinc/47/87/38/1017478738.db2.gz RKBWNNVKWNLJIA-GXTWGEPZSA-N 2 1 343.334 3.783 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415055783 1017478745 /nfs/dbraw/zinc/47/87/45/1017478745.db2.gz RKBWNNVKWNLJIA-GXTWGEPZSA-N 2 1 343.334 3.783 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)s2)cc1C ZINC000655733349 1017486306 /nfs/dbraw/zinc/48/63/06/1017486306.db2.gz LPBDYBFGNSRXDS-INIZCTEOSA-N 2 1 329.513 3.858 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)s2)cc1C ZINC000655733349 1017486320 /nfs/dbraw/zinc/48/63/20/1017486320.db2.gz LPBDYBFGNSRXDS-INIZCTEOSA-N 2 1 329.513 3.858 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738180 1017500481 /nfs/dbraw/zinc/50/04/81/1017500481.db2.gz SQVKHFMENASMDR-RLLQIKCJSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1Br ZINC000415108824 1017565864 /nfs/dbraw/zinc/56/58/64/1017565864.db2.gz QNKZVKMAGPUZCG-OWCLPIDISA-N 2 1 337.305 3.768 20 0 EHADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc12 ZINC000655775538 1017566656 /nfs/dbraw/zinc/56/66/56/1017566656.db2.gz ADKUQIWPQMVHAX-HXUWFJFHSA-N 2 1 338.495 3.881 20 0 EHADMP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772176 1017571034 /nfs/dbraw/zinc/57/10/34/1017571034.db2.gz BZVNDUIMMPOEFU-XIRDDKMYSA-N 2 1 348.453 3.731 20 0 EHADMP COc1cccc(OCCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415126192 1017578901 /nfs/dbraw/zinc/57/89/01/1017578901.db2.gz UEFNWANJGAHHRB-GHTZIAJQSA-N 2 1 340.467 3.547 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCC(C)C ZINC000415137217 1017600742 /nfs/dbraw/zinc/60/07/42/1017600742.db2.gz YACLPXVJZPCGNE-AEFFLSMTSA-N 2 1 334.504 3.537 20 0 EHADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655792536 1017620280 /nfs/dbraw/zinc/62/02/80/1017620280.db2.gz KRRWKMRHPABFFF-IBGZPJMESA-N 2 1 328.500 3.607 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835288 1017726990 /nfs/dbraw/zinc/72/69/90/1017726990.db2.gz WXVSBMIEHWTJPD-GHTZIAJQSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655835288 1017726998 /nfs/dbraw/zinc/72/69/98/1017726998.db2.gz WXVSBMIEHWTJPD-GHTZIAJQSA-N 2 1 335.495 3.799 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccncc1F ZINC000340473620 1017994973 /nfs/dbraw/zinc/99/49/73/1017994973.db2.gz ITEGFIIKLZAQSX-INIZCTEOSA-N 2 1 345.462 3.792 20 0 EHADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000377617987 1018069095 /nfs/dbraw/zinc/06/90/95/1018069095.db2.gz BLBMEZACSHIYIR-OXJNMPFZSA-N 2 1 349.950 3.544 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)CC[NH2+]1 ZINC001210495699 1018089500 /nfs/dbraw/zinc/08/95/00/1018089500.db2.gz AONNNOALYRPVAZ-AWEZNQCLSA-N 2 1 349.400 3.951 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)CC[NH2+]1 ZINC001210495699 1018089514 /nfs/dbraw/zinc/08/95/14/1018089514.db2.gz AONNNOALYRPVAZ-AWEZNQCLSA-N 2 1 349.400 3.951 20 0 EHADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]CCC[NH+]1CCC1 ZINC000565217723 1018158256 /nfs/dbraw/zinc/15/82/56/1018158256.db2.gz MVMYMMXHWOALCA-UHFFFAOYSA-N 2 1 338.499 3.851 20 0 EHADMP CC(C)[C@@H](O)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000340522403 1018206731 /nfs/dbraw/zinc/20/67/31/1018206731.db2.gz AVJKARREXQXZJH-XVAXZDLZSA-N 2 1 344.543 3.816 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000893086308 1018403578 /nfs/dbraw/zinc/40/35/78/1018403578.db2.gz OHXXYUCYMKYQJQ-JJLGPXMZSA-N 2 1 343.298 3.630 20 0 EHADMP CCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000893098685 1018475771 /nfs/dbraw/zinc/47/57/71/1018475771.db2.gz RKWKZIBMPXQEIM-WMZOPIPTSA-N 2 1 328.456 3.821 20 0 EHADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582509 1018585537 /nfs/dbraw/zinc/58/55/37/1018585537.db2.gz FRXDTQQZCYLEPQ-OAHLLOKOSA-N 2 1 331.287 3.539 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582509 1018585552 /nfs/dbraw/zinc/58/55/52/1018585552.db2.gz FRXDTQQZCYLEPQ-OAHLLOKOSA-N 2 1 331.287 3.539 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(Br)c2)[C@H](C)C1 ZINC000089555523 1019221562 /nfs/dbraw/zinc/22/15/62/1019221562.db2.gz YYOOZGCJJPRCDW-PBHICJAKSA-N 2 1 339.321 3.702 20 0 EHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC001204734941 1019376135 /nfs/dbraw/zinc/37/61/35/1019376135.db2.gz GIKYGUDGGXUWSG-UHFFFAOYSA-N 2 1 342.405 3.680 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000513380127 1019582814 /nfs/dbraw/zinc/58/28/14/1019582814.db2.gz BXDLAFIWUDIWGV-ATVHPVEESA-N 2 1 328.500 3.843 20 0 EHADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398199846 1019945147 /nfs/dbraw/zinc/94/51/47/1019945147.db2.gz PFBJRNMDBOTMDN-GCJKJVERSA-N 2 1 338.495 3.833 20 0 EHADMP FC(F)C1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000282074566 1032864789 /nfs/dbraw/zinc/86/47/89/1032864789.db2.gz XCAOHWKAHIMJFB-LMDPOFIKSA-N 2 1 336.470 3.965 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000574288490 1032879943 /nfs/dbraw/zinc/87/99/43/1032879943.db2.gz NNAFUGUDFFKQBY-QFBILLFUSA-N 2 1 340.467 3.586 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000574288490 1032879954 /nfs/dbraw/zinc/87/99/54/1032879954.db2.gz NNAFUGUDFFKQBY-QFBILLFUSA-N 2 1 340.467 3.586 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000513702816 1020646630 /nfs/dbraw/zinc/64/66/30/1020646630.db2.gz NIDDKTCTIUJRNC-GBESFXJTSA-N 2 1 336.907 3.961 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000564447439 1020647067 /nfs/dbraw/zinc/64/70/67/1020647067.db2.gz CKBCHQOKMKDWNH-SFHVURJKSA-N 2 1 349.538 3.543 20 0 EHADMP Cc1ccc(CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]2CCCO2)cc1 ZINC001167461851 1020906533 /nfs/dbraw/zinc/90/65/33/1020906533.db2.gz UAQGSWGZRHYZNV-RTWAWAEBSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]2CCCO2)cc1 ZINC001167461851 1020906535 /nfs/dbraw/zinc/90/65/35/1020906535.db2.gz UAQGSWGZRHYZNV-RTWAWAEBSA-N 2 1 330.516 3.503 20 0 EHADMP Cc1ccc(CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]2CCCO2)cc1 ZINC001167461851 1020906538 /nfs/dbraw/zinc/90/65/38/1020906538.db2.gz UAQGSWGZRHYZNV-RTWAWAEBSA-N 2 1 330.516 3.503 20 0 EHADMP COc1cc(F)c(F)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143394121 1020971798 /nfs/dbraw/zinc/97/17/98/1020971798.db2.gz UKGFTLQJEVBWME-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP Brc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000341180144 1021049531 /nfs/dbraw/zinc/04/95/31/1021049531.db2.gz DWTJVLKFPUBSDV-UGSOOPFHSA-N 2 1 349.316 3.900 20 0 EHADMP C[NH+](C)CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964055 1021245348 /nfs/dbraw/zinc/24/53/48/1021245348.db2.gz MFQSVTJMTIYMHA-LQCXBHPOSA-N 2 1 341.543 3.674 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507402463 1021252856 /nfs/dbraw/zinc/25/28/56/1021252856.db2.gz MLYIWAMAPRMHOP-BMFZPTHFSA-N 2 1 326.406 3.853 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000507487620 1021303624 /nfs/dbraw/zinc/30/36/24/1021303624.db2.gz RPPHKNOOTJPYBK-KRWDZBQOSA-N 2 1 349.485 3.503 20 0 EHADMP COc1cccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964365 1021375110 /nfs/dbraw/zinc/37/51/10/1021375110.db2.gz POVPHHDWKDNVEO-IHWFROFDSA-N 2 1 328.500 3.623 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)s2)cs1 ZINC000164464364 1021388418 /nfs/dbraw/zinc/38/84/18/1021388418.db2.gz SFIDJJLXVXTNGB-OCCSQVGLSA-N 2 1 335.542 3.795 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCOC1 ZINC000164516252 1021560888 /nfs/dbraw/zinc/56/08/88/1021560888.db2.gz UEWYTODSTAPCOG-CTNGQTDRSA-N 2 1 342.483 3.816 20 0 EHADMP Cc1ccc([C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CCCC2)cc1 ZINC000188012816 1021569475 /nfs/dbraw/zinc/56/94/75/1021569475.db2.gz RLVMEKSBBRHXCJ-HXUWFJFHSA-N 2 1 330.516 3.927 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819619 1021754461 /nfs/dbraw/zinc/75/44/61/1021754461.db2.gz WUDXYRRTLWYVGO-QFBILLFUSA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819619 1021754477 /nfs/dbraw/zinc/75/44/77/1021754477.db2.gz WUDXYRRTLWYVGO-QFBILLFUSA-N 2 1 338.923 3.985 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638677337 1021959547 /nfs/dbraw/zinc/95/95/47/1021959547.db2.gz IMJBTIXXGVVIFN-QUCCMNQESA-N 2 1 330.516 3.743 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638677337 1021959555 /nfs/dbraw/zinc/95/95/55/1021959555.db2.gz IMJBTIXXGVVIFN-QUCCMNQESA-N 2 1 330.516 3.743 20 0 EHADMP CCCCOc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000276655901 1022052993 /nfs/dbraw/zinc/05/29/93/1022052993.db2.gz NDCSCESLJFBYBQ-HNNXBMFYSA-N 2 1 331.460 3.501 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000441341944 1022179867 /nfs/dbraw/zinc/17/98/67/1022179867.db2.gz QBULWKSAAPKBDC-RTWAWAEBSA-N 2 1 343.559 3.719 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535005 1022304487 /nfs/dbraw/zinc/30/44/87/1022304487.db2.gz CZRVRKLUDDFSPZ-UGKGYDQZSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535005 1022304500 /nfs/dbraw/zinc/30/45/00/1022304500.db2.gz CZRVRKLUDDFSPZ-UGKGYDQZSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535005 1022304512 /nfs/dbraw/zinc/30/45/12/1022304512.db2.gz CZRVRKLUDDFSPZ-UGKGYDQZSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cccc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000519535005 1022304524 /nfs/dbraw/zinc/30/45/24/1022304524.db2.gz CZRVRKLUDDFSPZ-UGKGYDQZSA-N 2 1 337.511 3.917 20 0 EHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438198851 1022454635 /nfs/dbraw/zinc/45/46/35/1022454635.db2.gz FGYLQYTXMBQWAI-RTWAWAEBSA-N 2 1 342.527 3.731 20 0 EHADMP c1ccc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)nc1 ZINC001167995587 1022456436 /nfs/dbraw/zinc/45/64/36/1022456436.db2.gz JZQIRYSLBXXRDI-WRURNZQNSA-N 2 1 325.500 3.666 20 0 EHADMP Cc1cccc([C@H](C)[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969785 1022509611 /nfs/dbraw/zinc/50/96/11/1022509611.db2.gz XPZGXHXPINPATG-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969785 1022509620 /nfs/dbraw/zinc/50/96/20/1022509620.db2.gz XPZGXHXPINPATG-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@H](C)[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425969785 1022509633 /nfs/dbraw/zinc/50/96/33/1022509633.db2.gz XPZGXHXPINPATG-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@H](C)[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425969785 1022509636 /nfs/dbraw/zinc/50/96/36/1022509636.db2.gz XPZGXHXPINPATG-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414930404 1022666850 /nfs/dbraw/zinc/66/68/50/1022666850.db2.gz ATOHOEKLHAJBFS-TZMCWYRMSA-N 2 1 327.453 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH2+]1 ZINC000414946798 1022978729 /nfs/dbraw/zinc/97/87/29/1022978729.db2.gz KCZFYPWXCUTWIN-KDOFPFPSSA-N 2 1 345.874 3.544 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000506944836 1023016231 /nfs/dbraw/zinc/01/62/31/1023016231.db2.gz MJQLXLZXNQVJEC-UHFFFAOYSA-N 2 1 348.922 3.781 20 0 EHADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431059667 1023188841 /nfs/dbraw/zinc/18/88/41/1023188841.db2.gz CUSFYPHMKJWMNB-INIZCTEOSA-N 2 1 328.460 3.689 20 0 EHADMP Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431059667 1023188852 /nfs/dbraw/zinc/18/88/52/1023188852.db2.gz CUSFYPHMKJWMNB-INIZCTEOSA-N 2 1 328.460 3.689 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccccc2)C2CCCCC2)n1 ZINC000431066945 1023204036 /nfs/dbraw/zinc/20/40/36/1023204036.db2.gz BNJLEUXJCXORHU-UHFFFAOYSA-N 2 1 328.460 3.598 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccccc2)C2CCCCC2)n1 ZINC000431066945 1023204043 /nfs/dbraw/zinc/20/40/43/1023204043.db2.gz BNJLEUXJCXORHU-UHFFFAOYSA-N 2 1 328.460 3.598 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429522 1023293348 /nfs/dbraw/zinc/29/33/48/1023293348.db2.gz JQJYRRDSIWCGDG-SUMWQHHRSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429522 1023293351 /nfs/dbraw/zinc/29/33/51/1023293351.db2.gz JQJYRRDSIWCGDG-SUMWQHHRSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429522 1023293353 /nfs/dbraw/zinc/29/33/53/1023293353.db2.gz JQJYRRDSIWCGDG-SUMWQHHRSA-N 2 1 339.321 3.920 20 0 EHADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(O)CCCC1 ZINC000449736149 1033129911 /nfs/dbraw/zinc/12/99/11/1033129911.db2.gz LFPOJQWSMCYDQW-UHFFFAOYSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)s1 ZINC000276951157 1023455445 /nfs/dbraw/zinc/45/54/45/1023455445.db2.gz ORHYJUCWZFFDIG-MNOVXSKESA-N 2 1 340.290 3.620 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000449737351 1033136491 /nfs/dbraw/zinc/13/64/91/1033136491.db2.gz ZDIQLBQCRSGQKI-ILWGZMRPSA-N 2 1 335.495 3.699 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000449740505 1033141710 /nfs/dbraw/zinc/14/17/10/1033141710.db2.gz GUTOHMWJGYRXTA-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000449740505 1033141720 /nfs/dbraw/zinc/14/17/20/1033141720.db2.gz GUTOHMWJGYRXTA-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC12CCC2 ZINC000341911800 1023672469 /nfs/dbraw/zinc/67/24/69/1023672469.db2.gz VEHRYNDJLRDNAE-FPOVZHCZSA-N 2 1 342.527 3.790 20 0 EHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657876831 1033156811 /nfs/dbraw/zinc/15/68/11/1033156811.db2.gz NUHPOILFVLQLCY-WBVHZDCISA-N 2 1 328.422 3.958 20 0 EHADMP Cc1cc(N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000896838826 1023986087 /nfs/dbraw/zinc/98/60/87/1023986087.db2.gz PKYNIKHXHULKQS-UHFFFAOYSA-N 2 1 336.483 3.685 20 0 EHADMP C[N@@H+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004778 1024253909 /nfs/dbraw/zinc/25/39/09/1024253909.db2.gz YWVQWKJULCWYEJ-HUAFDLOESA-N 2 1 325.500 3.822 20 0 EHADMP C[NH+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004778 1024253916 /nfs/dbraw/zinc/25/39/16/1024253916.db2.gz YWVQWKJULCWYEJ-HUAFDLOESA-N 2 1 325.500 3.822 20 0 EHADMP C[NH+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004778 1024253930 /nfs/dbraw/zinc/25/39/30/1024253930.db2.gz YWVQWKJULCWYEJ-HUAFDLOESA-N 2 1 325.500 3.822 20 0 EHADMP C[C@H]1CC([NH2+]CCC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168004941 1024263300 /nfs/dbraw/zinc/26/33/00/1024263300.db2.gz CKOSXUIRXVDCLB-OALUTQOASA-N 2 1 343.559 3.750 20 0 EHADMP CC1CC[NH+](CCC[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000324214097 1024311379 /nfs/dbraw/zinc/31/13/79/1024311379.db2.gz TZIHZDYDMVTPEC-UHFFFAOYSA-N 2 1 330.394 3.797 20 0 EHADMP COc1cncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168024701 1024355023 /nfs/dbraw/zinc/35/50/23/1024355023.db2.gz HNQAEJBDCSFYCC-XEMDLRDOSA-N 2 1 339.483 3.621 20 0 EHADMP COc1cncc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168024701 1024355032 /nfs/dbraw/zinc/35/50/32/1024355032.db2.gz HNQAEJBDCSFYCC-XEMDLRDOSA-N 2 1 339.483 3.621 20 0 EHADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000434757519 1024407204 /nfs/dbraw/zinc/40/72/04/1024407204.db2.gz PXZZOLCZMVGLEZ-UXPWSPDFSA-N 2 1 330.516 3.558 20 0 EHADMP C[C@H]1CC([NH2+]CCN2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006329 1024410646 /nfs/dbraw/zinc/41/06/46/1024410646.db2.gz NEPMMPIUPWRTPZ-OALUTQOASA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH2+]Cc1cccc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000414860994 1024521440 /nfs/dbraw/zinc/52/14/40/1024521440.db2.gz DNDORLYAIGXYRH-UHFFFAOYSA-N 2 1 344.528 3.631 20 0 EHADMP c1cc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)sn1 ZINC000895526404 1024584968 /nfs/dbraw/zinc/58/49/68/1024584968.db2.gz AJDGJEZZLGRVED-APWZRJJASA-N 2 1 327.497 3.643 20 0 EHADMP c1cc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)sn1 ZINC000895526404 1024584980 /nfs/dbraw/zinc/58/49/80/1024584980.db2.gz AJDGJEZZLGRVED-APWZRJJASA-N 2 1 327.497 3.643 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCc1ccncc1 ZINC000350355168 1024587972 /nfs/dbraw/zinc/58/79/72/1024587972.db2.gz MXCIODDJHOTUSN-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCc1ccncc1 ZINC000350355168 1024587987 /nfs/dbraw/zinc/58/79/87/1024587987.db2.gz MXCIODDJHOTUSN-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP C[NH+](CCc1ccncc1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000350355168 1024587994 /nfs/dbraw/zinc/58/79/94/1024587994.db2.gz MXCIODDJHOTUSN-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP C[NH+](CCc1ccncc1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000350355168 1024588007 /nfs/dbraw/zinc/58/80/07/1024588007.db2.gz MXCIODDJHOTUSN-UHFFFAOYSA-N 2 1 325.500 3.714 20 0 EHADMP C[C@@H]1CC(NC[C@H]2CCCC[N@H+]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008500 1024605822 /nfs/dbraw/zinc/60/58/22/1024605822.db2.gz FFIATPLGQUXSSS-DBXWQHBBSA-N 2 1 329.532 3.502 20 0 EHADMP COc1cccc(C[C@H]([NH2+]CCn2cc[nH+]c2C)c2ccccc2)c1 ZINC000342261360 1024605806 /nfs/dbraw/zinc/60/58/06/1024605806.db2.gz BCURDVHMQDANOF-NRFANRHFSA-N 2 1 335.451 3.774 20 0 EHADMP C[C@@H]1CC([NH2+]C[C@H]2CCCCN2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008500 1024605829 /nfs/dbraw/zinc/60/58/29/1024605829.db2.gz FFIATPLGQUXSSS-DBXWQHBBSA-N 2 1 329.532 3.502 20 0 EHADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000429689548 1024644956 /nfs/dbraw/zinc/64/49/56/1024644956.db2.gz FUXQDKKGXGAGCS-ACRUOGEOSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031794 1024701007 /nfs/dbraw/zinc/70/10/07/1024701007.db2.gz FBUZKJORQFBGQV-UDKICSLYSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168031794 1024701018 /nfs/dbraw/zinc/70/10/18/1024701018.db2.gz FBUZKJORQFBGQV-UDKICSLYSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168031794 1024701027 /nfs/dbraw/zinc/70/10/27/1024701027.db2.gz FBUZKJORQFBGQV-UDKICSLYSA-N 2 1 341.543 3.502 20 0 EHADMP COc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(F)c1OC ZINC000895683912 1024732517 /nfs/dbraw/zinc/73/25/17/1024732517.db2.gz XWGARXYYSJSEHG-UHFFFAOYSA-N 2 1 338.467 3.541 20 0 EHADMP CCOC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000514803371 1024757323 /nfs/dbraw/zinc/75/73/23/1024757323.db2.gz YZXMRPBXBWDSQW-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1cccs1 ZINC000435376426 1024840264 /nfs/dbraw/zinc/84/02/64/1024840264.db2.gz ZROHRALCOBIMOY-RHSMWYFYSA-N 2 1 346.496 3.505 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1cccs1 ZINC000435376426 1024840288 /nfs/dbraw/zinc/84/02/88/1024840288.db2.gz ZROHRALCOBIMOY-RHSMWYFYSA-N 2 1 346.496 3.505 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)C1 ZINC000435385610 1024867323 /nfs/dbraw/zinc/86/73/23/1024867323.db2.gz QOVQHSVSXZQJQD-QGZVFWFLSA-N 2 1 340.515 3.520 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)C1 ZINC000435385610 1024867338 /nfs/dbraw/zinc/86/73/38/1024867338.db2.gz QOVQHSVSXZQJQD-QGZVFWFLSA-N 2 1 340.515 3.520 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000435396668 1024884596 /nfs/dbraw/zinc/88/45/96/1024884596.db2.gz XPQPYROEGSDPLV-HNAYVOBHSA-N 2 1 340.467 3.540 20 0 EHADMP Cc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433337 1024905283 /nfs/dbraw/zinc/90/52/83/1024905283.db2.gz RKFSLGZYVFZOAZ-QGZVFWFLSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433337 1024905288 /nfs/dbraw/zinc/90/52/88/1024905288.db2.gz RKFSLGZYVFZOAZ-QGZVFWFLSA-N 2 1 327.497 3.596 20 0 EHADMP C[C@]1(Br)C[C@@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000895932011 1024986904 /nfs/dbraw/zinc/98/69/04/1024986904.db2.gz INPFZMKELILFSW-ZBFHGGJFSA-N 2 1 329.326 3.500 20 0 EHADMP COCc1csc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000657314146 1025020008 /nfs/dbraw/zinc/02/00/08/1025020008.db2.gz RYVLAQSVXDCKMP-UHFFFAOYSA-N 2 1 344.524 3.957 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000428227636 1025047443 /nfs/dbraw/zinc/04/74/43/1025047443.db2.gz SOFGSVYFPBDTMQ-YTFSRNRJSA-N 2 1 349.522 3.905 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000106432776 1025104727 /nfs/dbraw/zinc/10/47/27/1025104727.db2.gz IZQBFQOHFAUKDP-SFHVURJKSA-N 2 1 342.487 3.580 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443980560 1025146263 /nfs/dbraw/zinc/14/62/63/1025146263.db2.gz NCBMOKVHHQVLSA-UHFFFAOYSA-N 2 1 329.391 3.513 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C[C@H]12 ZINC000346823148 1025151726 /nfs/dbraw/zinc/15/17/26/1025151726.db2.gz CFQMBKKMXMZMII-JLJPHGGASA-N 2 1 332.394 3.610 20 0 EHADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428242443 1025153056 /nfs/dbraw/zinc/15/30/56/1025153056.db2.gz SRWDSCYLZSUPLP-DXBBTUNJSA-N 2 1 344.543 3.674 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1(c2ccccc2)CCCC1 ZINC000428241831 1025161880 /nfs/dbraw/zinc/16/18/80/1025161880.db2.gz LBDUIOXTEVSKQF-FPOVZHCZSA-N 2 1 344.543 3.713 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)CCCO2 ZINC000346877722 1025273166 /nfs/dbraw/zinc/27/31/66/1025273166.db2.gz KTJPSUVWWHSVKY-QFBILLFUSA-N 2 1 332.488 3.763 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2ccc(F)cc2)cc1 ZINC000665282108 1025292746 /nfs/dbraw/zinc/29/27/46/1025292746.db2.gz QWEVVIURNKJRAE-UXHICEINSA-N 2 1 330.447 3.887 20 0 EHADMP C[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001168040371 1025316684 /nfs/dbraw/zinc/31/66/84/1025316684.db2.gz LUAOHKBFLPEEDG-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1CO ZINC001168040371 1025316689 /nfs/dbraw/zinc/31/66/89/1025316689.db2.gz LUAOHKBFLPEEDG-WKRCXCSHSA-N 2 1 330.516 3.521 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000738088075 1025367264 /nfs/dbraw/zinc/36/72/64/1025367264.db2.gz ADZGHWFIJOQVAN-UHFFFAOYSA-N 2 1 344.478 3.699 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000261931442 1025384741 /nfs/dbraw/zinc/38/47/41/1025384741.db2.gz CVNWKEJCMCDHDD-UHFFFAOYSA-N 2 1 330.806 3.517 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878957 1025394827 /nfs/dbraw/zinc/39/48/27/1025394827.db2.gz OBZODOQPNPBKHN-GOSISDBHSA-N 2 1 325.500 3.907 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425482670 1025429906 /nfs/dbraw/zinc/42/99/06/1025429906.db2.gz TUDUWMDFDKPULV-SFHVURJKSA-N 2 1 349.519 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425482670 1025429913 /nfs/dbraw/zinc/42/99/13/1025429913.db2.gz TUDUWMDFDKPULV-SFHVURJKSA-N 2 1 349.519 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425482670 1025429920 /nfs/dbraw/zinc/42/99/20/1025429920.db2.gz TUDUWMDFDKPULV-SFHVURJKSA-N 2 1 349.519 3.948 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4nonc4c3)CC[N@@H+]2C2CC2)cc1 ZINC000897990572 1033282586 /nfs/dbraw/zinc/28/25/86/1033282586.db2.gz WVGPRVLHASTKGL-LAUBAEHRSA-N 2 1 348.450 3.681 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4nonc4c3)CC[N@H+]2C2CC2)cc1 ZINC000897990572 1033282590 /nfs/dbraw/zinc/28/25/90/1033282590.db2.gz WVGPRVLHASTKGL-LAUBAEHRSA-N 2 1 348.450 3.681 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000442781303 1025473765 /nfs/dbraw/zinc/47/37/65/1025473765.db2.gz PADSJHSINYWADE-KBPBESRZSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766118 1025477558 /nfs/dbraw/zinc/47/75/58/1025477558.db2.gz WCHLXMNTYWBJMF-CRAIPNDOSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767403 1025479865 /nfs/dbraw/zinc/47/98/65/1025479865.db2.gz MQFLOVDBKGDWNB-HOTGVXAUSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767403 1025479871 /nfs/dbraw/zinc/47/98/71/1025479871.db2.gz MQFLOVDBKGDWNB-HOTGVXAUSA-N 2 1 325.500 3.735 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934333750 1025486264 /nfs/dbraw/zinc/48/62/64/1025486264.db2.gz QZFDPOMIYRFLSD-MRXNPFEDSA-N 2 1 338.480 3.702 20 0 EHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(F)c(Br)cc1F ZINC000530219166 1025513781 /nfs/dbraw/zinc/51/37/81/1025513781.db2.gz ZJTFNHKIRMXCSD-GUBZILKMSA-N 2 1 333.220 3.648 20 0 EHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442878448 1025559291 /nfs/dbraw/zinc/55/92/91/1025559291.db2.gz UBCAJYVXMKEYDU-MRXNPFEDSA-N 2 1 343.515 3.672 20 0 EHADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1Cl ZINC000442890182 1025570758 /nfs/dbraw/zinc/57/07/58/1025570758.db2.gz NPWHBFRDGUGKGU-SFHVURJKSA-N 2 1 337.939 3.653 20 0 EHADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000282030584 1025668227 /nfs/dbraw/zinc/66/82/27/1025668227.db2.gz KWIMHVRAQOBFEA-HNNXBMFYSA-N 2 1 330.501 3.672 20 0 EHADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000436468754 1025759811 /nfs/dbraw/zinc/75/98/11/1025759811.db2.gz HVYQGXXPZHVJTM-IOMROCGXSA-N 2 1 328.500 3.554 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1)C(C)C ZINC000511097603 1025774867 /nfs/dbraw/zinc/77/48/67/1025774867.db2.gz GALWMIJJDAPELD-FQEVSTJZSA-N 2 1 347.547 3.623 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000530460202 1025873472 /nfs/dbraw/zinc/87/34/72/1025873472.db2.gz UUQAEXCLTIPXGG-LJQANCHMSA-N 2 1 325.843 3.995 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582359809 1025950984 /nfs/dbraw/zinc/95/09/84/1025950984.db2.gz KQPDXWFRSFXLOO-OAQYLSRUSA-N 3 1 341.543 3.505 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582359809 1025950994 /nfs/dbraw/zinc/95/09/94/1025950994.db2.gz KQPDXWFRSFXLOO-OAQYLSRUSA-N 3 1 341.543 3.505 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCCC[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054398 1026071643 /nfs/dbraw/zinc/07/16/43/1026071643.db2.gz RCJFBEYCLJLMHC-NPDDRXJXSA-N 2 1 341.543 3.598 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000152487659 1026223481 /nfs/dbraw/zinc/22/34/81/1026223481.db2.gz HLFCARWILGOSNV-GUYCJALGSA-N 2 1 337.305 3.974 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000152487659 1026223491 /nfs/dbraw/zinc/22/34/91/1026223491.db2.gz HLFCARWILGOSNV-GUYCJALGSA-N 2 1 337.305 3.974 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033476 1026460106 /nfs/dbraw/zinc/46/01/06/1026460106.db2.gz WWMPTANBNOGKJX-YADHBBJMSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033476 1026460108 /nfs/dbraw/zinc/46/01/08/1026460108.db2.gz WWMPTANBNOGKJX-YADHBBJMSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033476 1026460112 /nfs/dbraw/zinc/46/01/12/1026460112.db2.gz WWMPTANBNOGKJX-YADHBBJMSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033476 1026460114 /nfs/dbraw/zinc/46/01/14/1026460114.db2.gz WWMPTANBNOGKJX-YADHBBJMSA-N 2 1 335.495 3.611 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000342734678 1026891243 /nfs/dbraw/zinc/89/12/43/1026891243.db2.gz OBEGQTUUGRMETQ-ITKAJJHTSA-N 2 1 327.472 3.618 20 0 EHADMP Cc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c2ccccc2[nH+]1 ZINC000301869472 1026973403 /nfs/dbraw/zinc/97/34/03/1026973403.db2.gz JLIIXPBVYODHRY-RBUKOAKNSA-N 2 1 347.462 3.591 20 0 EHADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)([NH+](C)C)C1 ZINC000582706048 1027007683 /nfs/dbraw/zinc/00/76/83/1027007683.db2.gz WRNYUOHIEQCKED-XSYGEPLQSA-N 2 1 332.536 3.546 20 0 EHADMP COc1ccc(-c2ccccc2)cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000531535449 1027013119 /nfs/dbraw/zinc/01/31/19/1027013119.db2.gz NUHIVVBLNIRFLQ-QGZVFWFLSA-N 2 1 336.479 3.936 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000531535449 1027013126 /nfs/dbraw/zinc/01/31/26/1027013126.db2.gz NUHIVVBLNIRFLQ-QGZVFWFLSA-N 2 1 336.479 3.936 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000531535449 1027013138 /nfs/dbraw/zinc/01/31/38/1027013138.db2.gz NUHIVVBLNIRFLQ-QGZVFWFLSA-N 2 1 336.479 3.936 20 0 EHADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000301983754 1027015116 /nfs/dbraw/zinc/01/51/16/1027015116.db2.gz AUSCMZHCJPAZKY-UHFFFAOYSA-N 2 1 346.478 3.823 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845561 1027143306 /nfs/dbraw/zinc/14/33/06/1027143306.db2.gz SAJWWOAHHIMPDM-YUXAGFNASA-N 2 1 338.495 3.529 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000513714174 1027261006 /nfs/dbraw/zinc/26/10/06/1027261006.db2.gz ZPZGAJONTOZMCF-IKGGRYGDSA-N 2 1 342.405 3.547 20 0 EHADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000453056070 1027300045 /nfs/dbraw/zinc/30/00/45/1027300045.db2.gz FGRMSIULGBFVNE-QZTJIDSGSA-N 2 1 338.499 3.572 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562854 1027304174 /nfs/dbraw/zinc/30/41/74/1027304174.db2.gz JIUFNMOIMKLHQJ-VQTJNVASSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562854 1027304185 /nfs/dbraw/zinc/30/41/85/1027304185.db2.gz JIUFNMOIMKLHQJ-VQTJNVASSA-N 2 1 341.543 3.646 20 0 EHADMP Clc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000453064332 1027316151 /nfs/dbraw/zinc/31/61/51/1027316151.db2.gz GQXTXURCSZSNIT-WOJBJXKFSA-N 2 1 348.918 3.647 20 0 EHADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453080156 1027333963 /nfs/dbraw/zinc/33/39/63/1027333963.db2.gz DIAXDUMDTKBBDE-NJDAHSKKSA-N 2 1 330.516 3.836 20 0 EHADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453128763 1027429851 /nfs/dbraw/zinc/42/98/51/1027429851.db2.gz QWOQARSJTLHNKI-MLBCHFTJSA-N 2 1 342.527 3.570 20 0 EHADMP c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cs1 ZINC000453134514 1027437936 /nfs/dbraw/zinc/43/79/36/1027437936.db2.gz GBVGBTXPIPZSBI-HSALFYBXSA-N 2 1 341.524 3.718 20 0 EHADMP FC1(F)CCC[C@H](C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1 ZINC000420309027 1027455264 /nfs/dbraw/zinc/45/52/64/1027455264.db2.gz LCNBIOYJVQEPKL-FUHWJXTLSA-N 2 1 337.458 3.851 20 0 EHADMP Fc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313721 1027459398 /nfs/dbraw/zinc/45/93/98/1027459398.db2.gz JIJSMHGAXRQLEB-HNAYVOBHSA-N 2 1 342.462 3.742 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319916 1027469383 /nfs/dbraw/zinc/46/93/83/1027469383.db2.gz AYNNGDJNAMJVQE-RBSFLKMASA-N 2 1 337.305 3.832 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327206 1027478431 /nfs/dbraw/zinc/47/84/31/1027478431.db2.gz KZFQPXKGGRLMSS-VNQPRFMTSA-N 2 1 337.305 3.832 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C3)cs1 ZINC000420364541 1027490276 /nfs/dbraw/zinc/49/02/76/1027490276.db2.gz CYXDCHRZJJPIOX-CYBMUJFWSA-N 2 1 333.526 3.538 20 0 EHADMP Brc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)s1 ZINC000420363181 1027492286 /nfs/dbraw/zinc/49/22/86/1027492286.db2.gz BIJJTTTUQCKLHB-VXGBXAGGSA-N 2 1 329.307 3.647 20 0 EHADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)cc1Cl ZINC000420381545 1027501604 /nfs/dbraw/zinc/50/16/04/1027501604.db2.gz XSMKOZAKSFLJPK-NSHDSACASA-N 2 1 331.685 3.534 20 0 EHADMP [NH3+]C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000420379666 1027502604 /nfs/dbraw/zinc/50/26/04/1027502604.db2.gz XXMWRMCRBNGNPL-INIZCTEOSA-N 2 1 330.394 3.581 20 0 EHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000420390745 1027508173 /nfs/dbraw/zinc/50/81/73/1027508173.db2.gz ZSVNMQLCPQTFOO-ZWKOTPCHSA-N 2 1 349.544 3.519 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420409972 1027529493 /nfs/dbraw/zinc/52/94/93/1027529493.db2.gz XUAQHXFHCYARRX-FXAWDEMLSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420409972 1027529505 /nfs/dbraw/zinc/52/95/05/1027529505.db2.gz XUAQHXFHCYARRX-FXAWDEMLSA-N 2 1 325.456 3.614 20 0 EHADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC001204735556 1027649956 /nfs/dbraw/zinc/64/99/56/1027649956.db2.gz XLDCLPSFXQHURX-UHFFFAOYSA-N 2 1 342.405 3.680 20 0 EHADMP C[N@@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000414648216 1027693989 /nfs/dbraw/zinc/69/39/89/1027693989.db2.gz ARYILCBJQFFVGF-VMPITWQZSA-N 2 1 336.479 3.963 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000342860470 1027694595 /nfs/dbraw/zinc/69/45/95/1027694595.db2.gz OQPLPBKHBSSKCT-IBGZPJMESA-N 2 1 327.472 3.545 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000342860470 1027694601 /nfs/dbraw/zinc/69/46/01/1027694601.db2.gz OQPLPBKHBSSKCT-IBGZPJMESA-N 2 1 327.472 3.545 20 0 EHADMP CCCCCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000414650594 1027698785 /nfs/dbraw/zinc/69/87/85/1027698785.db2.gz DJQDIYHCNAFERS-DFNIBXOVSA-N 2 1 346.515 3.979 20 0 EHADMP CCCCCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000414650594 1027698791 /nfs/dbraw/zinc/69/87/91/1027698791.db2.gz DJQDIYHCNAFERS-DFNIBXOVSA-N 2 1 346.515 3.979 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)o1 ZINC000564408322 1027712321 /nfs/dbraw/zinc/71/23/21/1027712321.db2.gz NMCQAJKRIQDCDX-CRAIPNDOSA-N 2 1 347.528 3.597 20 0 EHADMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000414657558 1027726689 /nfs/dbraw/zinc/72/66/89/1027726689.db2.gz KMUUEAMPJSYWDD-LDBDFHHYSA-N 2 1 336.479 3.948 20 0 EHADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000342868163 1027765330 /nfs/dbraw/zinc/76/53/30/1027765330.db2.gz KECNKORCRCBCJV-UHFFFAOYSA-N 2 1 335.495 3.878 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119733165 1027783193 /nfs/dbraw/zinc/78/31/93/1027783193.db2.gz OLDZYQPHRTUJOI-ZDUSSCGKSA-N 2 1 337.305 3.597 20 0 EHADMP c1cc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420902080 1027841867 /nfs/dbraw/zinc/84/18/67/1027841867.db2.gz MAHRKEWWOZNHCD-FQEVSTJZSA-N 2 1 342.508 3.917 20 0 EHADMP c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420902080 1027841881 /nfs/dbraw/zinc/84/18/81/1027841881.db2.gz MAHRKEWWOZNHCD-FQEVSTJZSA-N 2 1 342.508 3.917 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339067067 1027895950 /nfs/dbraw/zinc/89/59/50/1027895950.db2.gz IKZSNRWXRGFQPK-QIJUGHKUSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339067067 1027895964 /nfs/dbraw/zinc/89/59/64/1027895964.db2.gz IKZSNRWXRGFQPK-QIJUGHKUSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339067067 1027895975 /nfs/dbraw/zinc/89/59/75/1027895975.db2.gz IKZSNRWXRGFQPK-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339067067 1027895980 /nfs/dbraw/zinc/89/59/80/1027895980.db2.gz IKZSNRWXRGFQPK-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339067067 1027895984 /nfs/dbraw/zinc/89/59/84/1027895984.db2.gz IKZSNRWXRGFQPK-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339067067 1027895988 /nfs/dbraw/zinc/89/59/88/1027895988.db2.gz IKZSNRWXRGFQPK-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339067067 1027895993 /nfs/dbraw/zinc/89/59/93/1027895993.db2.gz IKZSNRWXRGFQPK-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422743402 1027910544 /nfs/dbraw/zinc/91/05/44/1027910544.db2.gz INJRMBWXIYJGDO-KDXIVRHGSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422743402 1027910554 /nfs/dbraw/zinc/91/05/54/1027910554.db2.gz INJRMBWXIYJGDO-KDXIVRHGSA-N 3 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422743455 1027911461 /nfs/dbraw/zinc/91/14/61/1027911461.db2.gz RJYRGZWXDSFGLJ-WHCFWRGISA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422743455 1027911480 /nfs/dbraw/zinc/91/14/80/1027911480.db2.gz RJYRGZWXDSFGLJ-WHCFWRGISA-N 2 1 341.543 3.722 20 0 EHADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784893 1027940288 /nfs/dbraw/zinc/94/02/88/1027940288.db2.gz MTBKNSHANWZNMT-BHIFYINESA-N 2 1 341.543 3.683 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000422761247 1027943277 /nfs/dbraw/zinc/94/32/77/1027943277.db2.gz QWYHPXIAIQXWGK-QGZVFWFLSA-N 2 1 344.547 3.688 20 0 EHADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)CC[NH2+]1 ZINC000414693668 1027952275 /nfs/dbraw/zinc/95/22/75/1027952275.db2.gz MVIIJBLSQZCMDW-IRXDYDNUSA-N 2 1 327.472 3.594 20 0 EHADMP Cc1cccc(Oc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)c1C ZINC000422803768 1027955122 /nfs/dbraw/zinc/95/51/22/1027955122.db2.gz GPTLBGKYQZBZEV-DFNIBXOVSA-N 2 1 337.467 3.863 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000420980447 1027958559 /nfs/dbraw/zinc/95/85/59/1027958559.db2.gz LPXVQAHOSIOICQ-LJQANCHMSA-N 2 1 335.580 3.695 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668048 1027973208 /nfs/dbraw/zinc/97/32/08/1027973208.db2.gz CQCOVEADGWCDHQ-HOJAQTOUSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668048 1027973235 /nfs/dbraw/zinc/97/32/35/1027973235.db2.gz CQCOVEADGWCDHQ-HOJAQTOUSA-N 2 1 328.500 3.731 20 0 EHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422856212 1027990526 /nfs/dbraw/zinc/99/05/26/1027990526.db2.gz DXGGYBOYKBTOPT-SJLPKXTDSA-N 2 1 343.858 3.711 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422865856 1028000975 /nfs/dbraw/zinc/00/09/75/1028000975.db2.gz POQNEEIIBDXUOI-LSDHHAIUSA-N 3 1 349.482 3.755 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422867379 1028004545 /nfs/dbraw/zinc/00/45/45/1028004545.db2.gz SBHLEXWLCFMJRZ-MORSLUCNSA-N 2 1 326.440 3.808 20 0 EHADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422881381 1028015646 /nfs/dbraw/zinc/01/56/46/1028015646.db2.gz QMGGMDKSQCFJLE-VQTJNVASSA-N 2 1 349.950 3.802 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422887366 1028021997 /nfs/dbraw/zinc/02/19/97/1028021997.db2.gz KSCNEUWQIQIARN-NQIIRXRSSA-N 2 1 348.494 3.537 20 0 EHADMP c1ccc(OCc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000459369722 1028051836 /nfs/dbraw/zinc/05/18/36/1028051836.db2.gz HQQGLCTYELTAGS-UHFFFAOYSA-N 2 1 336.479 3.982 20 0 EHADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000502286321 1028063370 /nfs/dbraw/zinc/06/33/70/1028063370.db2.gz LFZHLMJNRRIKGZ-PMACEKPBSA-N 2 1 334.548 3.970 20 0 EHADMP Fc1ccccc1OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422940234 1028066018 /nfs/dbraw/zinc/06/60/18/1028066018.db2.gz SOSOUCCKOFOUOE-WMWLNJEOSA-N 2 1 340.442 3.818 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000502289922 1028090647 /nfs/dbraw/zinc/09/06/47/1028090647.db2.gz XUJJFIUFILRPMI-BPIHKTFHSA-N 2 1 346.515 3.548 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000502289922 1028090659 /nfs/dbraw/zinc/09/06/59/1028090659.db2.gz XUJJFIUFILRPMI-BPIHKTFHSA-N 2 1 346.515 3.548 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423019696 1028131016 /nfs/dbraw/zinc/13/10/16/1028131016.db2.gz WUXHHRUYBBLJSF-JOQOYGCGSA-N 2 1 326.431 3.553 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000388745194 1028131436 /nfs/dbraw/zinc/13/14/36/1028131436.db2.gz ZIILBEXVVMVEFF-INIZCTEOSA-N 2 1 325.294 3.756 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423060456 1028152710 /nfs/dbraw/zinc/15/27/10/1028152710.db2.gz OKQSDTPHIHVKOW-SJORKVTESA-N 2 1 331.257 3.992 20 0 EHADMP C[C@H]([NH2+]CC1(c2cccc(F)c2F)CCCC1)c1c[nH+]ccc1N ZINC000423068433 1028158836 /nfs/dbraw/zinc/15/88/36/1028158836.db2.gz BXKLZDCIDAOPAI-ZDUSSCGKSA-N 2 1 331.410 3.935 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000135200499 1028174782 /nfs/dbraw/zinc/17/47/82/1028174782.db2.gz RTBRINPXVILTDQ-MFKMUULPSA-N 2 1 331.685 3.675 20 0 EHADMP Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)cc1 ZINC000423089531 1028177748 /nfs/dbraw/zinc/17/77/48/1028177748.db2.gz VIMNLNKUCRRSFK-HTAPYJJXSA-N 2 1 346.478 3.992 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1C(C)(C)C ZINC000533639453 1028213060 /nfs/dbraw/zinc/21/30/60/1028213060.db2.gz FLBSHRUOCMEJHV-ZWKOTPCHSA-N 2 1 332.532 3.872 20 0 EHADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000423182137 1028250690 /nfs/dbraw/zinc/25/06/90/1028250690.db2.gz PWDZGMVWKXLQDS-PWRODBHTSA-N 2 1 341.543 3.538 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(OC(F)F)c1 ZINC000423194216 1028263052 /nfs/dbraw/zinc/26/30/52/1028263052.db2.gz YOUDVRFZEBWYES-CQSZACIVSA-N 2 1 335.398 3.514 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(OC(F)F)c1 ZINC000423194215 1028264045 /nfs/dbraw/zinc/26/40/45/1028264045.db2.gz YOUDVRFZEBWYES-AWEZNQCLSA-N 2 1 335.398 3.514 20 0 EHADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423194170 1028264379 /nfs/dbraw/zinc/26/43/79/1028264379.db2.gz WQSIQFIRJBLJGF-HKUYMTLNSA-N 2 1 348.918 3.723 20 0 EHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423198585 1028266788 /nfs/dbraw/zinc/26/67/88/1028266788.db2.gz GQHVGWNOVKMNFJ-INIZCTEOSA-N 2 1 329.488 3.516 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000423205198 1028273364 /nfs/dbraw/zinc/27/33/64/1028273364.db2.gz BDKMASILHRUHTL-WOPDTQHZSA-N 2 1 332.822 3.980 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000423276568 1028337713 /nfs/dbraw/zinc/33/77/13/1028337713.db2.gz NDBXPAZLCGZEQI-HOCLYGCPSA-N 2 1 331.460 3.654 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc(C)n1 ZINC000421383601 1028355970 /nfs/dbraw/zinc/35/59/70/1028355970.db2.gz NNTZSDSYRGVQPB-IBGZPJMESA-N 2 1 337.511 3.884 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000421393342 1028368615 /nfs/dbraw/zinc/36/86/15/1028368615.db2.gz RMILQCLSTLUGQD-AWEZNQCLSA-N 2 1 338.377 3.740 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386019 1028401433 /nfs/dbraw/zinc/40/14/33/1028401433.db2.gz LSBIYZNEUJLKCB-OAHLLOKOSA-N 3 1 332.451 3.635 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc2cc(Br)ccc2o1 ZINC000423408641 1028425962 /nfs/dbraw/zinc/42/59/62/1028425962.db2.gz XTXMCULJFOGNJG-UHIISALHSA-N 2 1 337.261 3.844 20 0 EHADMP CC[C@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CC(F)(F)F ZINC000414519264 1028431245 /nfs/dbraw/zinc/43/12/45/1028431245.db2.gz WYWPBUILJWUEQX-LBPRGKRZSA-N 2 1 349.466 3.978 20 0 EHADMP CC[C@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CC(F)(F)F ZINC000414519264 1028431253 /nfs/dbraw/zinc/43/12/53/1028431253.db2.gz WYWPBUILJWUEQX-LBPRGKRZSA-N 2 1 349.466 3.978 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423471055 1028456971 /nfs/dbraw/zinc/45/69/71/1028456971.db2.gz DVKFTVDUVSFRPY-MWXLCCTBSA-N 3 1 329.532 3.551 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479457 1028462003 /nfs/dbraw/zinc/46/20/03/1028462003.db2.gz VHRCIEVOVRPASM-IAQYHMDHSA-N 2 1 336.277 3.635 20 0 EHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc2ccccc2c1 ZINC000423505933 1028469060 /nfs/dbraw/zinc/46/90/60/1028469060.db2.gz IERIGNCETQPOII-PPNDLDFTSA-N 2 1 337.511 3.707 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423494379 1028480331 /nfs/dbraw/zinc/48/03/31/1028480331.db2.gz RYRZHZUXJAXLQJ-YOEHRIQHSA-N 2 1 346.421 3.661 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SC2CCCC2)cc1 ZINC000423524139 1028497490 /nfs/dbraw/zinc/49/74/90/1028497490.db2.gz SLOLNQIJUHAVER-RDJZCZTQSA-N 2 1 334.529 3.750 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423526518 1028497629 /nfs/dbraw/zinc/49/76/29/1028497629.db2.gz LLXZFGXSXCXVJZ-CQSZACIVSA-N 2 1 329.513 3.835 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CCCC2)o1 ZINC000423523124 1028498116 /nfs/dbraw/zinc/49/81/16/1028498116.db2.gz VPAUKLDBGSHCDD-GZNCHQMQSA-N 2 1 345.531 3.625 20 0 EHADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000414772794 1028775659 /nfs/dbraw/zinc/77/56/59/1028775659.db2.gz CLSSMHAGESSJND-LSDHHAIUSA-N 2 1 329.875 3.710 20 0 EHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000421861961 1028855313 /nfs/dbraw/zinc/85/53/13/1028855313.db2.gz WQVUWZDMFZOGJW-CABCVRRESA-N 2 1 340.895 3.500 20 0 EHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000421861961 1028855326 /nfs/dbraw/zinc/85/53/26/1028855326.db2.gz WQVUWZDMFZOGJW-CABCVRRESA-N 2 1 340.895 3.500 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000421863419 1028856966 /nfs/dbraw/zinc/85/69/66/1028856966.db2.gz WMHMHXAHJDPBHH-GOLJUSPKSA-N 2 1 330.516 3.977 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248451492 1028908655 /nfs/dbraw/zinc/90/86/55/1028908655.db2.gz PMQISOSHYZMVMH-RXVVDRJESA-N 2 1 338.495 3.803 20 0 EHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280819 1028955395 /nfs/dbraw/zinc/95/53/95/1028955395.db2.gz HYZSZVZIECVFSQ-ZFWWWQNUSA-N 2 1 335.492 3.888 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000248884519 1028960544 /nfs/dbraw/zinc/96/05/44/1028960544.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000248884519 1028960546 /nfs/dbraw/zinc/96/05/46/1028960546.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000248884519 1028960548 /nfs/dbraw/zinc/96/05/48/1028960548.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000248884519 1028960549 /nfs/dbraw/zinc/96/05/49/1028960549.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000248884519 1028960551 /nfs/dbraw/zinc/96/05/51/1028960551.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000248884519 1028960554 /nfs/dbraw/zinc/96/05/54/1028960554.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000248884519 1028960556 /nfs/dbraw/zinc/96/05/56/1028960556.db2.gz LTIOJWUAVOPEAU-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP CCC[N@H+]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665563 1028987943 /nfs/dbraw/zinc/98/79/43/1028987943.db2.gz GOGVKNQKSDTXNJ-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665563 1028987955 /nfs/dbraw/zinc/98/79/55/1028987955.db2.gz GOGVKNQKSDTXNJ-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665563 1028987969 /nfs/dbraw/zinc/98/79/69/1028987969.db2.gz GOGVKNQKSDTXNJ-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665563 1028987980 /nfs/dbraw/zinc/98/79/80/1028987980.db2.gz GOGVKNQKSDTXNJ-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665563 1028987997 /nfs/dbraw/zinc/98/79/97/1028987997.db2.gz GOGVKNQKSDTXNJ-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665563 1028988013 /nfs/dbraw/zinc/98/80/13/1028988013.db2.gz GOGVKNQKSDTXNJ-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665563 1028988021 /nfs/dbraw/zinc/98/80/21/1028988021.db2.gz GOGVKNQKSDTXNJ-KJJMTIBFSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)CC[NH2+]1 ZINC000841008707 1028999948 /nfs/dbraw/zinc/99/99/48/1028999948.db2.gz AIOKAWVCKXSYTQ-QRQLOZEOSA-N 2 1 344.524 3.672 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@H]1O ZINC000245715300 1029119109 /nfs/dbraw/zinc/11/91/09/1029119109.db2.gz NYNZXPZNPWWMNY-QMCAAQAGSA-N 2 1 342.527 3.713 20 0 EHADMP COc1ccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)C)cc1 ZINC000271810530 1029182763 /nfs/dbraw/zinc/18/27/63/1029182763.db2.gz YPZTYCCJODDFHJ-HXUWFJFHSA-N 2 1 346.515 3.627 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000583198035 1029200678 /nfs/dbraw/zinc/20/06/78/1029200678.db2.gz DBZSTDBBEONLHR-RTBURBONSA-N 2 1 329.488 3.565 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000271873276 1029210180 /nfs/dbraw/zinc/21/01/80/1029210180.db2.gz NIDMUMXJXGJCRB-QGZVFWFLSA-N 2 1 338.499 3.710 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000271873272 1029211007 /nfs/dbraw/zinc/21/10/07/1029211007.db2.gz NIDMUMXJXGJCRB-KRWDZBQOSA-N 2 1 338.499 3.710 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccs3)CC2)oc1C ZINC000162736529 1029357692 /nfs/dbraw/zinc/35/76/92/1029357692.db2.gz KAEQYYSWIZDNAC-CQSZACIVSA-N 2 1 333.501 3.916 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOC4(CCC4)C2)C3)cc1 ZINC000272283134 1029396985 /nfs/dbraw/zinc/39/69/85/1029396985.db2.gz APUSOTLAZZMSAR-NCYKPQTJSA-N 2 1 340.511 3.873 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272346833 1029427086 /nfs/dbraw/zinc/42/70/86/1029427086.db2.gz UJVVJJYHLGFIGG-UHFFFAOYSA-N 2 1 343.471 3.717 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000414823344 1029437160 /nfs/dbraw/zinc/43/71/60/1029437160.db2.gz OFFXDOKFBSWWKO-BDAKNGLRSA-N 2 1 337.714 3.642 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCCO1 ZINC000272401579 1029449051 /nfs/dbraw/zinc/44/90/51/1029449051.db2.gz JGRNAJQJPPAKJH-OFOKGCAXSA-N 2 1 328.500 3.729 20 0 EHADMP CCC1CCC([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000524728169 1029473344 /nfs/dbraw/zinc/47/33/44/1029473344.db2.gz WJMLJMDPXXBLHD-DAWZGUTISA-N 2 1 335.561 3.595 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000261665250 1029473905 /nfs/dbraw/zinc/47/39/05/1029473905.db2.gz IOZYWWROBIKBEQ-NRFANRHFSA-N 2 1 340.515 3.649 20 0 EHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000261665250 1029473915 /nfs/dbraw/zinc/47/39/15/1029473915.db2.gz IOZYWWROBIKBEQ-NRFANRHFSA-N 2 1 340.515 3.649 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608619 1029533203 /nfs/dbraw/zinc/53/32/03/1029533203.db2.gz ZPKJLHKBBFBVFU-WBVHZDCISA-N 2 1 329.875 3.735 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608619 1029533209 /nfs/dbraw/zinc/53/32/09/1029533209.db2.gz ZPKJLHKBBFBVFU-WBVHZDCISA-N 2 1 329.875 3.735 20 0 EHADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000261976252 1029543272 /nfs/dbraw/zinc/54/32/72/1029543272.db2.gz GCLJDIARYPVDJF-UHFFFAOYSA-N 2 1 342.487 3.682 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414844183 1029562421 /nfs/dbraw/zinc/56/24/21/1029562421.db2.gz CNIPNDBHPHQRPJ-GHMZBOCLSA-N 2 1 331.685 3.580 20 0 EHADMP COCCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000282071648 1029728320 /nfs/dbraw/zinc/72/83/20/1029728320.db2.gz WWBWVUARYLWURY-DNVCBOLYSA-N 2 1 333.451 3.724 20 0 EHADMP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000446755671 1029783068 /nfs/dbraw/zinc/78/30/68/1029783068.db2.gz XSTJDGNIGZHVJL-OAQYLSRUSA-N 2 1 330.516 3.754 20 0 EHADMP COC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C)o1 ZINC000156417266 1029840292 /nfs/dbraw/zinc/84/02/92/1029840292.db2.gz LTGINQRJIUJJOR-VQIMIIECSA-N 2 1 346.471 3.567 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921543 1029854354 /nfs/dbraw/zinc/85/43/54/1029854354.db2.gz SKFHIDUWZSSIAI-FUHIMQAGSA-N 2 1 338.499 3.736 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705259 1029969259 /nfs/dbraw/zinc/96/92/59/1029969259.db2.gz ALQCADKEFNEUNP-ZJOUEHCJSA-N 2 1 346.515 3.584 20 0 EHADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000453267920 1030003977 /nfs/dbraw/zinc/00/39/77/1030003977.db2.gz NRHNDXGXEJKTMZ-BWUHRYBWSA-N 2 1 330.516 3.833 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531932490 1030087734 /nfs/dbraw/zinc/08/77/34/1030087734.db2.gz PTEDCDZVBGDFSQ-MOPGFXCFSA-N 2 1 343.540 3.778 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000650724066 1030218781 /nfs/dbraw/zinc/21/87/81/1030218781.db2.gz XVETUYKAULHQOY-OIISXLGYSA-N 2 1 343.298 3.854 20 0 EHADMP C[NH+](C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000447508217 1030255877 /nfs/dbraw/zinc/25/58/77/1030255877.db2.gz KAGZAYMTRMFNEN-MZADTFQBSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000453444251 1030264133 /nfs/dbraw/zinc/26/41/33/1030264133.db2.gz XVXGIADZIAUPTK-IVAOSVALSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453593065 1030352900 /nfs/dbraw/zinc/35/29/00/1030352900.db2.gz GDDVZNIZNJRFDD-UHFFFAOYSA-N 2 1 346.906 3.798 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(F)cc1Br)C1CC1 ZINC000453601674 1030391050 /nfs/dbraw/zinc/39/10/50/1030391050.db2.gz VDDSUFJUQOFQKI-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000526057656 1030397167 /nfs/dbraw/zinc/39/71/67/1030397167.db2.gz MQNUDOGFHCYQHU-JQVVWYNYSA-N 2 1 344.543 3.518 20 0 EHADMP Cc1occc1C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092438677 1030453167 /nfs/dbraw/zinc/45/31/67/1030453167.db2.gz JTIRWXMPWYZIDF-UHFFFAOYSA-N 2 1 341.499 3.750 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482507851 1030487546 /nfs/dbraw/zinc/48/75/46/1030487546.db2.gz RIXRHFOJQHDXBQ-KNQAVFIVSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000482507851 1030487557 /nfs/dbraw/zinc/48/75/57/1030487557.db2.gz RIXRHFOJQHDXBQ-KNQAVFIVSA-N 2 1 343.559 3.609 20 0 EHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1 ZINC000447934333 1030608818 /nfs/dbraw/zinc/60/88/18/1030608818.db2.gz XQUIBROPWZPXJW-UHFFFAOYSA-N 2 1 347.528 3.671 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000527218869 1030715329 /nfs/dbraw/zinc/71/53/29/1030715329.db2.gz GWRXQQUQVUSJLG-UHFFFAOYSA-N 2 1 340.515 3.733 20 0 EHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2F)no1 ZINC000640533473 1030722626 /nfs/dbraw/zinc/72/26/26/1030722626.db2.gz SKALFIQLGWERQR-UHFFFAOYSA-N 2 1 346.450 3.574 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2F)no1 ZINC000640533473 1030722644 /nfs/dbraw/zinc/72/26/44/1030722644.db2.gz SKALFIQLGWERQR-UHFFFAOYSA-N 2 1 346.450 3.574 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000482874340 1030776092 /nfs/dbraw/zinc/77/60/92/1030776092.db2.gz OFMNJLDXJZVCIF-AHRSYUTCSA-N 2 1 349.950 3.624 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)cc(Cl)c1 ZINC000482890923 1030784973 /nfs/dbraw/zinc/78/49/73/1030784973.db2.gz RPTLIGDUUJHTPD-DYVFJYSZSA-N 2 1 345.314 3.881 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC001168353370 1030805558 /nfs/dbraw/zinc/80/55/58/1030805558.db2.gz NBHAQSVKEKQYPA-UHFFFAOYSA-N 2 1 330.369 3.809 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227908643 1030854218 /nfs/dbraw/zinc/85/42/18/1030854218.db2.gz JQGZKVFXUAHTJL-VIFPVBQESA-N 2 1 337.714 3.725 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227908643 1030854236 /nfs/dbraw/zinc/85/42/36/1030854236.db2.gz JQGZKVFXUAHTJL-VIFPVBQESA-N 2 1 337.714 3.725 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550994960 1030874789 /nfs/dbraw/zinc/87/47/89/1030874789.db2.gz XPXDPRSQOAJYDB-LEWJYISDSA-N 2 1 338.495 3.971 20 0 EHADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550994960 1030874815 /nfs/dbraw/zinc/87/48/15/1030874815.db2.gz XPXDPRSQOAJYDB-LEWJYISDSA-N 2 1 338.495 3.971 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000551008698 1030884156 /nfs/dbraw/zinc/88/41/56/1030884156.db2.gz ZAHZKDJDIHUIOC-BAGYTPMASA-N 2 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008698 1030884175 /nfs/dbraw/zinc/88/41/75/1030884175.db2.gz ZAHZKDJDIHUIOC-BAGYTPMASA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008698 1030884197 /nfs/dbraw/zinc/88/41/97/1030884197.db2.gz ZAHZKDJDIHUIOC-BAGYTPMASA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008698 1030884220 /nfs/dbraw/zinc/88/42/20/1030884220.db2.gz ZAHZKDJDIHUIOC-BAGYTPMASA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551008698 1030884239 /nfs/dbraw/zinc/88/42/39/1030884239.db2.gz ZAHZKDJDIHUIOC-BAGYTPMASA-N 3 1 343.559 3.924 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000527509907 1030941794 /nfs/dbraw/zinc/94/17/94/1030941794.db2.gz FMIJDKBOPAYTDT-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@@H](C)C1 ZINC000527662440 1031087197 /nfs/dbraw/zinc/08/71/97/1031087197.db2.gz QKQRFTCGYJSHII-JKSUJKDBSA-N 2 1 334.495 3.785 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC4CCCC4)c3)CC[C@@H]21 ZINC000537698324 1031138934 /nfs/dbraw/zinc/13/89/34/1031138934.db2.gz WGKQNWKPPATMNE-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CC[C@@H]21 ZINC000537698324 1031138944 /nfs/dbraw/zinc/13/89/44/1031138944.db2.gz WGKQNWKPPATMNE-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CC[C@@H]21 ZINC000537698324 1031138952 /nfs/dbraw/zinc/13/89/52/1031138952.db2.gz WGKQNWKPPATMNE-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527851808 1031368710 /nfs/dbraw/zinc/36/87/10/1031368710.db2.gz BHFNKEHBRRNCQE-VIFPVBQESA-N 2 1 344.203 3.583 20 0 EHADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc12 ZINC000655775535 1031411669 /nfs/dbraw/zinc/41/16/69/1031411669.db2.gz ADKUQIWPQMVHAX-FQEVSTJZSA-N 2 1 338.495 3.881 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CCCOC2)C3)cc1 ZINC000527927423 1031422185 /nfs/dbraw/zinc/42/21/85/1031422185.db2.gz MIQMRXFUUGNRBA-XSDIEEQYSA-N 2 1 328.500 3.588 20 0 EHADMP Clc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997158 1031455266 /nfs/dbraw/zinc/45/52/66/1031455266.db2.gz ZOQCJPIOCGHGCM-CYBMUJFWSA-N 2 1 343.696 3.867 20 0 EHADMP COCCC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000527937921 1031463128 /nfs/dbraw/zinc/46/31/28/1031463128.db2.gz WLIQMTLBUWGAFF-KOUNCHBCSA-N 2 1 342.527 3.931 20 0 EHADMP CCC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC000527933854 1031495448 /nfs/dbraw/zinc/49/54/48/1031495448.db2.gz SIRNMPUCSSNDHY-MXEMCNAFSA-N 2 1 330.516 3.977 20 0 EHADMP CCC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC000527933860 1031498129 /nfs/dbraw/zinc/49/81/29/1031498129.db2.gz SIRNMPUCSSNDHY-WOZUAGRISA-N 2 1 330.516 3.977 20 0 EHADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343585954 1031513233 /nfs/dbraw/zinc/51/32/33/1031513233.db2.gz XPMJTTUMCAKZQK-UHFFFAOYSA-N 2 1 346.494 3.749 20 0 EHADMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)s2)cc1 ZINC000484486607 1031603631 /nfs/dbraw/zinc/60/36/31/1031603631.db2.gz CBOSWWCFGKOLAS-KBXCAEBGSA-N 2 1 330.497 3.854 20 0 EHADMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)s2)cc1 ZINC000484486607 1031603643 /nfs/dbraw/zinc/60/36/43/1031603643.db2.gz CBOSWWCFGKOLAS-KBXCAEBGSA-N 2 1 330.497 3.854 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000178035743 1031610766 /nfs/dbraw/zinc/61/07/66/1031610766.db2.gz RPURJDCSWSLNAD-IRXDYDNUSA-N 2 1 340.515 3.811 20 0 EHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178039956 1031611879 /nfs/dbraw/zinc/61/18/79/1031611879.db2.gz ZICAKGABUHSWNN-LLGFUMIMSA-N 2 1 346.515 3.552 20 0 EHADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278615783 1031645950 /nfs/dbraw/zinc/64/59/50/1031645950.db2.gz FYPBSSOTMMVVBY-PPQDBTBKSA-N 2 1 328.500 3.587 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2sc(C)nc2C)[C@H](C)C1 ZINC000178438226 1031664477 /nfs/dbraw/zinc/66/44/77/1031664477.db2.gz MPJVWNWGSZEDMP-UKPHBRMFSA-N 2 1 339.549 3.548 20 0 EHADMP COc1cccc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000179419371 1031748443 /nfs/dbraw/zinc/74/84/43/1031748443.db2.gz JMBLGWZSBUGWEA-UHFFFAOYSA-N 2 1 327.472 3.860 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)[C@H](C)C1 ZINC000179467398 1031775828 /nfs/dbraw/zinc/77/58/28/1031775828.db2.gz GISDUSICZRCXAU-TYCQWZJGSA-N 2 1 348.506 3.930 20 0 EHADMP C[C@]1(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326151 1031950018 /nfs/dbraw/zinc/95/00/18/1031950018.db2.gz FCNMRNYKXIQTPK-DOMZBBRYSA-N 2 1 347.450 3.731 20 0 EHADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]C1 ZINC000904326151 1031950031 /nfs/dbraw/zinc/95/00/31/1031950031.db2.gz FCNMRNYKXIQTPK-DOMZBBRYSA-N 2 1 347.450 3.731 20 0 EHADMP CSc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)ccn1 ZINC000537936209 1032021622 /nfs/dbraw/zinc/02/16/22/1032021622.db2.gz GHLIYNRNPMRQRY-QAPCUYQASA-N 2 1 333.545 3.936 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939901 1032025873 /nfs/dbraw/zinc/02/58/73/1032025873.db2.gz KWIZOYWLMKHRPU-PZJWPPBQSA-N 3 1 343.559 3.609 20 0 EHADMP CCC1(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939901 1032025891 /nfs/dbraw/zinc/02/58/91/1032025891.db2.gz KWIZOYWLMKHRPU-PZJWPPBQSA-N 2 1 343.559 3.609 20 0 EHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939899 1032026476 /nfs/dbraw/zinc/02/64/76/1032026476.db2.gz KWIZOYWLMKHRPU-CTNGQTDRSA-N 3 1 343.559 3.609 20 0 EHADMP CCC1(C[NH2+][C@H]2CCN(C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939899 1032026482 /nfs/dbraw/zinc/02/64/82/1032026482.db2.gz KWIZOYWLMKHRPU-CTNGQTDRSA-N 2 1 343.559 3.609 20 0 EHADMP CC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456752 1033347953 /nfs/dbraw/zinc/34/79/53/1033347953.db2.gz XNAWZMDRINAWCE-UHFFFAOYSA-N 2 1 336.483 3.657 20 0 EHADMP CCC[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457919 1033348873 /nfs/dbraw/zinc/34/88/73/1033348873.db2.gz SUAYXYGLLWNEMS-IFMALSPDSA-N 2 1 343.559 3.671 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000401160245 1033522438 /nfs/dbraw/zinc/52/24/38/1033522438.db2.gz OKSAXUFOGCJSCC-TZIWHRDSSA-N 2 1 337.511 3.884 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000401160245 1033522449 /nfs/dbraw/zinc/52/24/49/1033522449.db2.gz OKSAXUFOGCJSCC-TZIWHRDSSA-N 2 1 337.511 3.884 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2COC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000657931836 1033676576 /nfs/dbraw/zinc/67/65/76/1033676576.db2.gz JFLQLDKIMLGQNF-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550628572 1033758516 /nfs/dbraw/zinc/75/85/16/1033758516.db2.gz JGKQRQUOXIQFFN-NHCUHLMSSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@H](c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1)[NH+](C)C ZINC000923824234 1033881250 /nfs/dbraw/zinc/88/12/50/1033881250.db2.gz CPFDBDJIZCLOPV-OAHLLOKOSA-N 2 1 328.460 3.591 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC001168315676 1033977052 /nfs/dbraw/zinc/97/70/52/1033977052.db2.gz ZLYXTVXCHYCDGB-UHFFFAOYSA-N 2 1 337.305 3.680 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000658137463 1033999819 /nfs/dbraw/zinc/99/98/19/1033999819.db2.gz GWKUTGYFLHUBKE-WIYYLYMNSA-N 2 1 338.495 3.721 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000056522551 1034044679 /nfs/dbraw/zinc/04/46/79/1034044679.db2.gz ZXWILGLXUKSKHI-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227170 1034085295 /nfs/dbraw/zinc/08/52/95/1034085295.db2.gz SZEOPQCLOUSJOL-FUHWJXTLSA-N 2 1 346.515 3.631 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227170 1034085314 /nfs/dbraw/zinc/08/53/14/1034085314.db2.gz SZEOPQCLOUSJOL-FUHWJXTLSA-N 2 1 346.515 3.631 20 0 EHADMP C[NH+](C)C1CCC(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001168329495 1034194567 /nfs/dbraw/zinc/19/45/67/1034194567.db2.gz VRYNUQHXJQPKFH-AOMIVXANSA-N 2 1 341.543 3.554 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000534346970 1034419882 /nfs/dbraw/zinc/41/98/82/1034419882.db2.gz IEQYNJCYPJDMGV-UHFFFAOYSA-N 2 1 329.463 3.926 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149519 1034475809 /nfs/dbraw/zinc/47/58/09/1034475809.db2.gz GNVUUKCKMSJLSC-FPOVZHCZSA-N 2 1 346.515 3.551 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149519 1034475816 /nfs/dbraw/zinc/47/58/16/1034475816.db2.gz GNVUUKCKMSJLSC-FPOVZHCZSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149519 1034475822 /nfs/dbraw/zinc/47/58/22/1034475822.db2.gz GNVUUKCKMSJLSC-FPOVZHCZSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121149519 1034475827 /nfs/dbraw/zinc/47/58/27/1034475827.db2.gz GNVUUKCKMSJLSC-FPOVZHCZSA-N 2 1 346.515 3.551 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340225075 1034475906 /nfs/dbraw/zinc/47/59/06/1034475906.db2.gz FQMOOZKSIMRLAZ-QZTJIDSGSA-N 2 1 342.487 3.551 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340225075 1034475919 /nfs/dbraw/zinc/47/59/19/1034475919.db2.gz FQMOOZKSIMRLAZ-QZTJIDSGSA-N 2 1 342.487 3.551 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340252056 1034478301 /nfs/dbraw/zinc/47/83/01/1034478301.db2.gz RYWNUAHQANLQDH-BDTNDASRSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340252056 1034478317 /nfs/dbraw/zinc/47/83/17/1034478317.db2.gz RYWNUAHQANLQDH-BDTNDASRSA-N 2 1 338.495 3.925 20 0 EHADMP C[C@@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000548992059 1035406301 /nfs/dbraw/zinc/40/63/01/1035406301.db2.gz UEOZOXLWZDVWKE-QZTJIDSGSA-N 2 1 330.516 3.834 20 0 EHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000685850147 1035417008 /nfs/dbraw/zinc/41/70/08/1035417008.db2.gz AZWFEPBUMGWYQQ-NRFANRHFSA-N 2 1 340.511 3.926 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414080795 1035452857 /nfs/dbraw/zinc/45/28/57/1035452857.db2.gz UUBNRYOQOSRYKR-MRXNPFEDSA-N 2 1 326.488 3.522 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414079521 1035455658 /nfs/dbraw/zinc/45/56/58/1035455658.db2.gz RWQFITYTPFTJIM-MRXNPFEDSA-N 2 1 326.488 3.520 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414079521 1035455661 /nfs/dbraw/zinc/45/56/61/1035455661.db2.gz RWQFITYTPFTJIM-MRXNPFEDSA-N 2 1 326.488 3.520 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1 ZINC000414079521 1035455664 /nfs/dbraw/zinc/45/56/64/1035455664.db2.gz RWQFITYTPFTJIM-MRXNPFEDSA-N 2 1 326.488 3.520 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000540660746 1035553035 /nfs/dbraw/zinc/55/30/35/1035553035.db2.gz WTALFPYDQZQHKN-OXQOHEQNSA-N 2 1 342.527 3.987 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158092910 1035563706 /nfs/dbraw/zinc/56/37/06/1035563706.db2.gz QSKKIVOMNSYIQC-SJORKVTESA-N 2 1 346.519 3.553 20 0 EHADMP Cc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492330307 1035626683 /nfs/dbraw/zinc/62/66/83/1035626683.db2.gz OYCQWBTWQMULAV-PZJWPPBQSA-N 2 1 338.495 3.874 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414126525 1035651511 /nfs/dbraw/zinc/65/15/11/1035651511.db2.gz RLNFLIQDTPKOBV-AZUAARDMSA-N 2 1 349.950 3.593 20 0 EHADMP FC(F)(F)Oc1ccc(C2(NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000414135430 1035694941 /nfs/dbraw/zinc/69/49/41/1035694941.db2.gz ICTSEYBYXBYGCY-UHFFFAOYSA-N 2 1 340.389 3.791 20 0 EHADMP Brc1ccccc1CC1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000414145242 1035762031 /nfs/dbraw/zinc/76/20/31/1035762031.db2.gz PGIWYJYEAUGQIP-UHFFFAOYSA-N 2 1 349.316 3.741 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1Br ZINC000414150420 1035787921 /nfs/dbraw/zinc/78/79/21/1035787921.db2.gz UZMVFOZHCLWMHL-WOSRLPQWSA-N 2 1 325.294 3.576 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172182 1035815472 /nfs/dbraw/zinc/81/54/72/1035815472.db2.gz RXUMIIYIHIOJCU-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282486022 1035826078 /nfs/dbraw/zinc/82/60/78/1035826078.db2.gz MDRLBRNANXAEQY-RTWAWAEBSA-N 2 1 338.495 3.610 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000282486022 1035826094 /nfs/dbraw/zinc/82/60/94/1035826094.db2.gz MDRLBRNANXAEQY-RTWAWAEBSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000414175074 1035893811 /nfs/dbraw/zinc/89/38/11/1035893811.db2.gz IASPWFXIEJEQAQ-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP c1ccc([C@H]2CCCN2CCC[N@H+]2CCC[C@@H]2c2ccccn2)nc1 ZINC000535011358 1035898312 /nfs/dbraw/zinc/89/83/12/1035898312.db2.gz NACLVSLGPXULLF-NHCUHLMSSA-N 2 1 336.483 3.841 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000414179424 1035928535 /nfs/dbraw/zinc/92/85/35/1035928535.db2.gz KQUHJKNQJKZKAV-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000414188642 1035957460 /nfs/dbraw/zinc/95/74/60/1035957460.db2.gz QMYCAJLJVVRWRJ-DGCLKSJQSA-N 2 1 343.334 3.819 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000397547586 1035985637 /nfs/dbraw/zinc/98/56/37/1035985637.db2.gz WGHLIUKKTIDILK-OAQYLSRUSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000397547586 1035985655 /nfs/dbraw/zinc/98/56/55/1035985655.db2.gz WGHLIUKKTIDILK-OAQYLSRUSA-N 2 1 337.511 3.823 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000414200627 1036024885 /nfs/dbraw/zinc/02/48/85/1036024885.db2.gz XMRHUUUXSXAUFU-OXJNMPFZSA-N 2 1 327.447 3.632 20 0 EHADMP CC1(C)[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000464094944 1036107326 /nfs/dbraw/zinc/10/73/26/1036107326.db2.gz INHZUKXLFWVCBS-PMACEKPBSA-N 2 1 342.527 3.803 20 0 EHADMP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000414231549 1036188471 /nfs/dbraw/zinc/18/84/71/1036188471.db2.gz PJKOMQRRJUCWHQ-IIBYNOLFSA-N 2 1 348.506 3.626 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000414244380 1036254574 /nfs/dbraw/zinc/25/45/74/1036254574.db2.gz QCKCQEYGUHZFLI-QMTHXVAHSA-N 2 1 331.685 3.532 20 0 EHADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(C)n1 ZINC000892581360 1036302467 /nfs/dbraw/zinc/30/24/67/1036302467.db2.gz WOQIQTUNGXUURU-QGZVFWFLSA-N 2 1 340.515 3.733 20 0 EHADMP Cc1ccc(O[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168388121 1036317150 /nfs/dbraw/zinc/31/71/50/1036317150.db2.gz AUTOVLLTRLSOIH-NRFANRHFSA-N 2 1 328.500 3.713 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@@H](C)O1 ZINC000414262948 1036344751 /nfs/dbraw/zinc/34/47/51/1036344751.db2.gz PAQQPIWAXZXGLX-KXCLMNKRSA-N 2 1 342.527 3.690 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000572661990 1036450730 /nfs/dbraw/zinc/45/07/30/1036450730.db2.gz YBWHBDNXTDRNJI-UWVAXJGDSA-N 2 1 338.499 3.736 20 0 EHADMP CC1CC[NH+]([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000192596587 1036534294 /nfs/dbraw/zinc/53/42/94/1036534294.db2.gz DTUKPOZTXIVEMY-IPQPSQTFSA-N 2 1 347.572 3.736 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)c1 ZINC000589647014 1036576561 /nfs/dbraw/zinc/57/65/61/1036576561.db2.gz ADKCUUVAAPJDND-HNNXBMFYSA-N 2 1 340.496 3.626 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)c1 ZINC000589647014 1036576565 /nfs/dbraw/zinc/57/65/65/1036576565.db2.gz ADKCUUVAAPJDND-HNNXBMFYSA-N 2 1 340.496 3.626 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000541745882 1036599275 /nfs/dbraw/zinc/59/92/75/1036599275.db2.gz CCBRJOPJWIRRCQ-WIYYLYMNSA-N 2 1 338.499 3.668 20 0 EHADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310071076 1036769516 /nfs/dbraw/zinc/76/95/16/1036769516.db2.gz DHRGLZKDSRUCIO-PKOBYXMFSA-N 2 1 326.459 3.868 20 0 EHADMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000177291204 1036808439 /nfs/dbraw/zinc/80/84/39/1036808439.db2.gz HHHHJZXDHJGHRA-QUCCMNQESA-N 2 1 338.495 3.910 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000539506410 1036825123 /nfs/dbraw/zinc/82/51/23/1036825123.db2.gz FEMIHAOMFVCQMV-LRDDRELGSA-N 2 1 335.289 3.849 20 0 EHADMP CC1(Nc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)CC[NH2+]CC1 ZINC001168186514 1036939085 /nfs/dbraw/zinc/93/90/85/1036939085.db2.gz BDLCGQZFFSVYQC-UHFFFAOYSA-N 2 1 327.394 3.923 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(CC(C)C)c2)CC1)CC1CC1 ZINC000542143574 1037103594 /nfs/dbraw/zinc/10/35/94/1037103594.db2.gz QBHKYZFJJVPFDK-UHFFFAOYSA-N 2 1 346.563 3.873 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001168194151 1037243933 /nfs/dbraw/zinc/24/39/33/1037243933.db2.gz YNPMICYLZGQDOF-MHTWAQMVSA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001168194151 1037243941 /nfs/dbraw/zinc/24/39/41/1037243941.db2.gz YNPMICYLZGQDOF-MHTWAQMVSA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001168194151 1037243951 /nfs/dbraw/zinc/24/39/51/1037243951.db2.gz YNPMICYLZGQDOF-MHTWAQMVSA-N 2 1 343.559 3.559 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000472608323 1037294113 /nfs/dbraw/zinc/29/41/13/1037294113.db2.gz IDIBRDHAZOAAES-UHFFFAOYSA-N 2 1 330.369 3.905 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000472608323 1037294129 /nfs/dbraw/zinc/29/41/29/1037294129.db2.gz IDIBRDHAZOAAES-UHFFFAOYSA-N 2 1 330.369 3.905 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797417 1037392596 /nfs/dbraw/zinc/39/25/96/1037392596.db2.gz DDHVBJHELSLINC-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797417 1037392615 /nfs/dbraw/zinc/39/26/15/1037392615.db2.gz DDHVBJHELSLINC-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797417 1037392631 /nfs/dbraw/zinc/39/26/31/1037392631.db2.gz DDHVBJHELSLINC-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000462797417 1037392640 /nfs/dbraw/zinc/39/26/40/1037392640.db2.gz DDHVBJHELSLINC-APWZRJJASA-N 2 1 346.515 3.947 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C(C)(C)C ZINC000163969274 1037398111 /nfs/dbraw/zinc/39/81/11/1037398111.db2.gz IHRKKYURNOZWAN-QGZVFWFLSA-N 2 1 348.531 3.700 20 0 EHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423503137 1037517794 /nfs/dbraw/zinc/51/77/94/1037517794.db2.gz MPKFKDOCPLQDCT-KSEOMHKRSA-N 2 1 337.511 3.674 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532496674 1037542934 /nfs/dbraw/zinc/54/29/34/1037542934.db2.gz BMELRSMALDXFFK-HKUYNNGSSA-N 2 1 343.540 3.696 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1C(F)(F)F ZINC000623934799 1037576627 /nfs/dbraw/zinc/57/66/27/1037576627.db2.gz DWVKGMRKHGLIAE-CMPLNLGQSA-N 2 1 327.325 3.707 20 0 EHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000540161793 1037619655 /nfs/dbraw/zinc/61/96/55/1037619655.db2.gz XHLCRNTUIIHRCV-HRAATJIYSA-N 2 1 328.500 3.850 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643261 1037631085 /nfs/dbraw/zinc/63/10/85/1037631085.db2.gz SHTGESNNHAEADY-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643261 1037631093 /nfs/dbraw/zinc/63/10/93/1037631093.db2.gz SHTGESNNHAEADY-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000303643261 1037631102 /nfs/dbraw/zinc/63/11/02/1037631102.db2.gz SHTGESNNHAEADY-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000303643261 1037631114 /nfs/dbraw/zinc/63/11/14/1037631114.db2.gz SHTGESNNHAEADY-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000463024872 1037655129 /nfs/dbraw/zinc/65/51/29/1037655129.db2.gz QWPAXLHWJKNWNH-NJDAHSKKSA-N 2 1 344.543 3.733 20 0 EHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnn(-c2ccccc2)c1 ZINC000760896453 1037685593 /nfs/dbraw/zinc/68/55/93/1037685593.db2.gz FKKQPUGAFANMTI-KRWDZBQOSA-N 2 1 326.488 3.645 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000493887503 1037699797 /nfs/dbraw/zinc/69/97/97/1037699797.db2.gz FHBDVDIKARVJGU-YESZJQIVSA-N 2 1 349.316 3.961 20 0 EHADMP C[C@@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929801 1037727421 /nfs/dbraw/zinc/72/74/21/1037727421.db2.gz ZTEQVOAYWZPPSH-OYNPSCLESA-N 2 1 342.527 3.834 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOC3CCCCC3)CC2)cc1 ZINC000463113338 1037767824 /nfs/dbraw/zinc/76/78/24/1037767824.db2.gz BXQXXCAWEYIQHJ-UHFFFAOYSA-N 2 1 348.506 3.772 20 0 EHADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463137860 1037800428 /nfs/dbraw/zinc/80/04/28/1037800428.db2.gz UIKXHXKOFMFLCX-CTNGQTDRSA-N 2 1 343.559 3.894 20 0 EHADMP C[N@@H+](CCC[NH2+]C1CCN(CCC(F)(F)F)CC1)C1CCCCC1 ZINC000463139564 1037801061 /nfs/dbraw/zinc/80/10/61/1037801061.db2.gz SCVICTDDYNRZEE-UHFFFAOYSA-N 2 1 349.485 3.647 20 0 EHADMP C[N@H+](CCCNC1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000463139564 1037801071 /nfs/dbraw/zinc/80/10/71/1037801071.db2.gz SCVICTDDYNRZEE-UHFFFAOYSA-N 2 1 349.485 3.647 20 0 EHADMP C[N@@H+](CCCNC1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000463139564 1037801083 /nfs/dbraw/zinc/80/10/83/1037801083.db2.gz SCVICTDDYNRZEE-UHFFFAOYSA-N 2 1 349.485 3.647 20 0 EHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463154781 1037827097 /nfs/dbraw/zinc/82/70/97/1037827097.db2.gz XGNCUGUJWRFESV-BGYRXZFFSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(F)(F)F ZINC000463267135 1037971902 /nfs/dbraw/zinc/97/19/02/1037971902.db2.gz OFCXICKPBYPTGE-CYBMUJFWSA-N 2 1 332.385 3.621 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463269331 1037972320 /nfs/dbraw/zinc/97/23/20/1037972320.db2.gz UOPFQPRGECUJGK-CIQXWFTPSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463269331 1037972331 /nfs/dbraw/zinc/97/23/31/1037972331.db2.gz UOPFQPRGECUJGK-CIQXWFTPSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463273846 1037979651 /nfs/dbraw/zinc/97/96/51/1037979651.db2.gz BHJUSHAMGHJJHZ-SYYKKAFVSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000463273846 1037979668 /nfs/dbraw/zinc/97/96/68/1037979668.db2.gz BHJUSHAMGHJJHZ-SYYKKAFVSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CCN1C ZINC000123660538 1038052313 /nfs/dbraw/zinc/05/23/13/1038052313.db2.gz XAFXIKVQIVJQRV-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123660538 1038052331 /nfs/dbraw/zinc/05/23/31/1038052331.db2.gz XAFXIKVQIVJQRV-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123660538 1038052352 /nfs/dbraw/zinc/05/23/52/1038052352.db2.gz XAFXIKVQIVJQRV-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123660538 1038052373 /nfs/dbraw/zinc/05/23/73/1038052373.db2.gz XAFXIKVQIVJQRV-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123660538 1038052389 /nfs/dbraw/zinc/05/23/89/1038052389.db2.gz XAFXIKVQIVJQRV-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123660538 1038052404 /nfs/dbraw/zinc/05/24/04/1038052404.db2.gz XAFXIKVQIVJQRV-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123660538 1038052421 /nfs/dbraw/zinc/05/24/21/1038052421.db2.gz XAFXIKVQIVJQRV-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000124096897 1038136324 /nfs/dbraw/zinc/13/63/24/1038136324.db2.gz GYRJKKOMAHBDBJ-UHFFFAOYSA-N 2 1 327.472 3.824 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000124453556 1038189637 /nfs/dbraw/zinc/18/96/37/1038189637.db2.gz XRKKVHKALVXTJR-XLIONFOSSA-N 2 1 327.472 3.742 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000124453556 1038189643 /nfs/dbraw/zinc/18/96/43/1038189643.db2.gz XRKKVHKALVXTJR-XLIONFOSSA-N 2 1 327.472 3.742 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538764075 1038528243 /nfs/dbraw/zinc/52/82/43/1038528243.db2.gz LCHIHPZIKYMYLC-IBGZPJMESA-N 2 1 349.950 3.557 20 0 EHADMP c1ccc(OCC2CC2)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538799620 1038536408 /nfs/dbraw/zinc/53/64/08/1038536408.db2.gz OTNDYDZARTWPQZ-RXVVDRJESA-N 2 1 340.511 3.924 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000539039222 1038649478 /nfs/dbraw/zinc/64/94/78/1038649478.db2.gz AGJMJPYGFUMHHZ-JMSVASOKSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000539039222 1038649485 /nfs/dbraw/zinc/64/94/85/1038649485.db2.gz AGJMJPYGFUMHHZ-JMSVASOKSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000461888615 1038650383 /nfs/dbraw/zinc/65/03/83/1038650383.db2.gz ZXQWWGGARVFAKQ-HDICACEKSA-N 2 1 343.515 3.730 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCSCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000539053042 1038656028 /nfs/dbraw/zinc/65/60/28/1038656028.db2.gz OLVPSGKIPIIKMX-GOEBONIOSA-N 2 1 346.462 3.925 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000539053042 1038656030 /nfs/dbraw/zinc/65/60/30/1038656030.db2.gz OLVPSGKIPIIKMX-GOEBONIOSA-N 2 1 346.462 3.925 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn3ccccc3n2)CC1)CC(C)C ZINC000539096623 1038682714 /nfs/dbraw/zinc/68/27/14/1038682714.db2.gz JJRABCLMUCWYPQ-UHFFFAOYSA-N 2 1 342.531 3.914 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CO1 ZINC000660012353 1038707906 /nfs/dbraw/zinc/70/79/06/1038707906.db2.gz SVKGIYAMWYMZOC-UFYCRDLUSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000660012353 1038707912 /nfs/dbraw/zinc/70/79/12/1038707912.db2.gz SVKGIYAMWYMZOC-UFYCRDLUSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000660012353 1038707919 /nfs/dbraw/zinc/70/79/19/1038707919.db2.gz SVKGIYAMWYMZOC-UFYCRDLUSA-N 2 1 328.500 3.540 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000559260264 1038912738 /nfs/dbraw/zinc/91/27/38/1038912738.db2.gz VWUKFMMJOHAZOM-OTWHNJEPSA-N 2 1 338.536 3.599 20 0 EHADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000552050460 1038918546 /nfs/dbraw/zinc/91/85/46/1038918546.db2.gz GFJCIWDUNDJWFH-KFWWJZLASA-N 2 1 338.517 3.553 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000195436213 1038957265 /nfs/dbraw/zinc/95/72/65/1038957265.db2.gz UXBOMUSRJCPLLJ-UHFFFAOYSA-N 2 1 344.886 3.770 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477855998 1038964297 /nfs/dbraw/zinc/96/42/97/1038964297.db2.gz IKHAQTUKOMCIKC-XHDPSFHLSA-N 2 1 340.298 3.947 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000552099999 1038985445 /nfs/dbraw/zinc/98/54/45/1038985445.db2.gz ZSBCLHAAHMSUOV-KRWDZBQOSA-N 2 1 348.494 3.921 20 0 EHADMP CC(C)(C)[C@@H](Cn1ccnc1)N[C@H]1COCc2cccc(Cl)c21 ZINC000924731796 1038992469 /nfs/dbraw/zinc/99/24/69/1038992469.db2.gz VIFHYWNRFFAMGH-JKSUJKDBSA-N 2 1 333.863 3.812 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000477924949 1039034895 /nfs/dbraw/zinc/03/48/95/1039034895.db2.gz AXCQMSOXUFKSBT-GOSISDBHSA-N 2 1 340.515 3.704 20 0 EHADMP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519190 1039188559 /nfs/dbraw/zinc/18/85/59/1039188559.db2.gz NPVXUQRJCXYZHI-LCWAXJCOSA-N 2 1 330.541 3.771 20 0 EHADMP CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519194 1039188705 /nfs/dbraw/zinc/18/87/05/1039188705.db2.gz NPVXUQRJCXYZHI-USYVTKNRSA-N 2 1 330.541 3.771 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cn1 ZINC000554331215 1039227235 /nfs/dbraw/zinc/22/72/35/1039227235.db2.gz SUXZMHAXPQLOHL-UHFFFAOYSA-N 2 1 344.890 3.869 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584593843 1039350839 /nfs/dbraw/zinc/35/08/39/1039350839.db2.gz OFGYNGJGNQZPPN-CVEARBPZSA-N 2 1 329.875 3.710 20 0 EHADMP CC[N@@H+](CCCc1cnccc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000349004878 1039447219 /nfs/dbraw/zinc/44/72/19/1039447219.db2.gz KBDOXJRZJUKIPU-UHFFFAOYSA-N 2 1 325.500 3.906 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000394800097 1039447489 /nfs/dbraw/zinc/44/74/89/1039447489.db2.gz LSIPMHYSNQHBIF-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000394800097 1039447491 /nfs/dbraw/zinc/44/74/91/1039447491.db2.gz LSIPMHYSNQHBIF-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP CCOC1CC(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000567356442 1039461267 /nfs/dbraw/zinc/46/12/67/1039461267.db2.gz LISOJNIBMICDRU-WWDZGPRUSA-N 2 1 336.545 3.625 20 0 EHADMP CCOC1CC(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000567356442 1039461274 /nfs/dbraw/zinc/46/12/74/1039461274.db2.gz LISOJNIBMICDRU-WWDZGPRUSA-N 2 1 336.545 3.625 20 0 EHADMP CCOC1CC(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000567356442 1039461280 /nfs/dbraw/zinc/46/12/80/1039461280.db2.gz LISOJNIBMICDRU-WWDZGPRUSA-N 2 1 336.545 3.625 20 0 EHADMP c1nc(C2CC2)sc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000554559747 1039477257 /nfs/dbraw/zinc/47/72/57/1039477257.db2.gz BKJDSZYTQBPOKL-HNNXBMFYSA-N 2 1 342.512 3.933 20 0 EHADMP Cc1ccc(N2CCC([NH2+]Cc3cc(F)cc(Cl)c3)CC2)[nH+]c1 ZINC000485733912 1039480413 /nfs/dbraw/zinc/48/04/13/1039480413.db2.gz PYEAOTGXKKGKSF-UHFFFAOYSA-N 2 1 333.838 3.941 20 0 EHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OCC2CC2)c(F)c1 ZINC000584789002 1039855914 /nfs/dbraw/zinc/85/59/14/1039855914.db2.gz SYILDZHRWHOSJW-CQSZACIVSA-N 2 1 331.435 3.631 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000480692834 1039894437 /nfs/dbraw/zinc/89/44/37/1039894437.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000480692834 1039894461 /nfs/dbraw/zinc/89/44/61/1039894461.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000480692834 1039894487 /nfs/dbraw/zinc/89/44/87/1039894487.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000480692834 1039894512 /nfs/dbraw/zinc/89/45/12/1039894512.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000480692834 1039894536 /nfs/dbraw/zinc/89/45/36/1039894536.db2.gz AOHZJELJHJBZIL-VQQMMKBISA-N 2 1 343.559 3.594 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](CCF)C1)C1CC[NH+](C)CC1 ZINC000668591989 1039930693 /nfs/dbraw/zinc/93/06/93/1039930693.db2.gz GUEZWRPZYFWWOD-GOSISDBHSA-N 2 1 347.522 3.789 20 0 EHADMP CN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000554949256 1039975236 /nfs/dbraw/zinc/97/52/36/1039975236.db2.gz FZLUDEZTNSKXLE-QYZOEREBSA-N 2 1 335.923 3.549 20 0 EHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccs1 ZINC000480779049 1040000249 /nfs/dbraw/zinc/00/02/49/1040000249.db2.gz JSMDZOLIFJRZBZ-MJGOQNOKSA-N 2 1 343.540 3.778 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000481038422 1040304248 /nfs/dbraw/zinc/30/42/48/1040304248.db2.gz NNUNMTPMCWRFLH-GUYCJALGSA-N 2 1 342.405 3.894 20 0 EHADMP Cc1ccccc1Nc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000481040017 1040304541 /nfs/dbraw/zinc/30/45/41/1040304541.db2.gz UDSKZIFOAGHMGR-UHFFFAOYSA-N 2 1 344.528 3.969 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2Cl)no1 ZINC001212142735 1040314432 /nfs/dbraw/zinc/31/44/32/1040314432.db2.gz RJAHNVINJIWAGK-AWEZNQCLSA-N 2 1 340.830 3.697 20 0 EHADMP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(OC)cc1 ZINC000667514121 1040375257 /nfs/dbraw/zinc/37/52/57/1040375257.db2.gz XBBZMVMFMXSOHK-UHFFFAOYSA-N 2 1 336.439 3.688 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000924866897 1040418670 /nfs/dbraw/zinc/41/86/70/1040418670.db2.gz BSKKSRBBAIXGAH-MISYRCLQSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000924866897 1040418675 /nfs/dbraw/zinc/41/86/75/1040418675.db2.gz BSKKSRBBAIXGAH-MISYRCLQSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)c1 ZINC000924866897 1040418689 /nfs/dbraw/zinc/41/86/89/1040418689.db2.gz BSKKSRBBAIXGAH-MISYRCLQSA-N 2 1 347.572 3.567 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)c1 ZINC000924866897 1040418695 /nfs/dbraw/zinc/41/86/95/1040418695.db2.gz BSKKSRBBAIXGAH-MISYRCLQSA-N 2 1 347.572 3.567 20 0 EHADMP COC1(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000555380621 1040506526 /nfs/dbraw/zinc/50/65/26/1040506526.db2.gz ZTIFPJWFVQJSQO-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380621 1040506547 /nfs/dbraw/zinc/50/65/47/1040506547.db2.gz ZTIFPJWFVQJSQO-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380621 1040506566 /nfs/dbraw/zinc/50/65/66/1040506566.db2.gz ZTIFPJWFVQJSQO-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000248217415 1040719598 /nfs/dbraw/zinc/71/95/98/1040719598.db2.gz ZWLFUUYQPZXCIJ-CLCXKQKWSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000248217415 1040719613 /nfs/dbraw/zinc/71/96/13/1040719613.db2.gz ZWLFUUYQPZXCIJ-CLCXKQKWSA-N 2 1 340.458 3.752 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cs1 ZINC000667869070 1040734429 /nfs/dbraw/zinc/73/44/29/1040734429.db2.gz NZYUETMZXOSGQM-BPQIPLTHSA-N 2 1 333.545 3.696 20 0 EHADMP C[C@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872724 1040799396 /nfs/dbraw/zinc/79/93/96/1040799396.db2.gz IDBCKIAUHNATPL-AAILRHKWSA-N 2 1 334.529 3.507 20 0 EHADMP C[C@H]1CC2(CC([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872724 1040799414 /nfs/dbraw/zinc/79/94/14/1040799414.db2.gz IDBCKIAUHNATPL-AAILRHKWSA-N 2 1 334.529 3.507 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001167753952 1040868825 /nfs/dbraw/zinc/86/88/25/1040868825.db2.gz NIAIWCWGQDVQNO-CQSZACIVSA-N 2 1 325.447 3.703 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001167753952 1040868841 /nfs/dbraw/zinc/86/88/41/1040868841.db2.gz NIAIWCWGQDVQNO-CQSZACIVSA-N 2 1 325.447 3.703 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058356 1040895167 /nfs/dbraw/zinc/89/51/67/1040895167.db2.gz GNZOAIIBPKCNFW-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058356 1040895180 /nfs/dbraw/zinc/89/51/80/1040895180.db2.gz GNZOAIIBPKCNFW-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP [NH3+][C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000390535754 1040904314 /nfs/dbraw/zinc/90/43/14/1040904314.db2.gz GCXKBYDDQKWJIY-UKZHTZJMSA-N 2 1 347.506 3.916 20 0 EHADMP COc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123772759 1040939960 /nfs/dbraw/zinc/93/99/60/1040939960.db2.gz AHXYNTNSTMAGLE-GOSISDBHSA-N 2 1 338.495 3.880 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C/C=C/c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487554354 1040941354 /nfs/dbraw/zinc/94/13/54/1040941354.db2.gz SJEBRHYDPXRHKI-CXXCKQAGSA-N 2 1 335.495 3.985 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343865000 1040999200 /nfs/dbraw/zinc/99/92/00/1040999200.db2.gz RPUMSQHQVKPHKR-JTQLQIEISA-N 2 1 332.395 3.798 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398093925 1041011950 /nfs/dbraw/zinc/01/19/50/1041011950.db2.gz KCPKOMZCJNHUCI-RDTXWAMCSA-N 2 1 329.513 3.760 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398093925 1041011967 /nfs/dbraw/zinc/01/19/67/1041011967.db2.gz KCPKOMZCJNHUCI-RDTXWAMCSA-N 2 1 329.513 3.760 20 0 EHADMP Fc1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c(F)c1 ZINC000193473117 1041066862 /nfs/dbraw/zinc/06/68/62/1041066862.db2.gz DUFZTHMJXHUVIR-UHFFFAOYSA-N 2 1 338.442 3.684 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000388493975 1041324362 /nfs/dbraw/zinc/32/43/62/1041324362.db2.gz ADLMTYKMZRQJOB-MELADBBJSA-N 2 1 343.334 3.911 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(-c3cccc(C)c3)nc2C)[C@@H](C)C1 ZINC000651644666 1041836230 /nfs/dbraw/zinc/83/62/30/1041836230.db2.gz YRVRNTVOPSJVAI-UWJYYQICSA-N 2 1 340.515 3.651 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000164486262 1042284455 /nfs/dbraw/zinc/28/44/55/1042284455.db2.gz BJIMSAZJDWOQPV-HNNXBMFYSA-N 2 1 347.503 3.569 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661872388 1042379447 /nfs/dbraw/zinc/37/94/47/1042379447.db2.gz AUUPNCILJTVPGB-PZJWPPBQSA-N 2 1 339.483 3.962 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000164601275 1042399808 /nfs/dbraw/zinc/39/98/08/1042399808.db2.gz PZRUKLYFSMTZBZ-HNNXBMFYSA-N 2 1 331.460 3.648 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CSc2ccccc2OC)[C@@H](C)C1 ZINC000246505586 1042511598 /nfs/dbraw/zinc/51/15/98/1042511598.db2.gz SWCBGLGLUHOKRL-ULQDDVLXSA-N 2 1 336.545 3.743 20 0 EHADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1Cl ZINC000662250661 1042634841 /nfs/dbraw/zinc/63/48/41/1042634841.db2.gz LHKGKCWCUJQVLJ-BBRMVZONSA-N 2 1 341.282 3.651 20 0 EHADMP Brc1c2ccccc2oc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273006 1042649170 /nfs/dbraw/zinc/64/91/70/1042649170.db2.gz JIMPGYDLICODSQ-BETUJISGSA-N 2 1 349.272 3.627 20 0 EHADMP c1ccc2c(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nsc2c1 ZINC000662273812 1042650348 /nfs/dbraw/zinc/65/03/48/1042650348.db2.gz PRBKDPLMLDOLQV-HOTGVXAUSA-N 2 1 329.513 3.550 20 0 EHADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298431 1042665601 /nfs/dbraw/zinc/66/56/01/1042665601.db2.gz WCBKQCOQUYPCSA-QAPCUYQASA-N 2 1 340.471 3.509 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc4c3C[NH2+]C4)cc2)C1 ZINC000662386675 1042699221 /nfs/dbraw/zinc/69/92/21/1042699221.db2.gz DKURLQCBRDSTEE-INIZCTEOSA-N 2 1 349.478 3.774 20 0 EHADMP COCc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000121430262 1042772248 /nfs/dbraw/zinc/77/22/48/1042772248.db2.gz QXASHGGTUMHOHN-UHFFFAOYSA-N 2 1 338.495 3.630 20 0 EHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466050 1042888646 /nfs/dbraw/zinc/88/86/46/1042888646.db2.gz NOHGUXRWWLMBLF-CRAIPNDOSA-N 2 1 332.463 3.533 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[N@H+]1C1CC1 ZINC000390901555 1043046892 /nfs/dbraw/zinc/04/68/92/1043046892.db2.gz HZYRROVNBRBFPE-LMNJBCLMSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901555 1043046901 /nfs/dbraw/zinc/04/69/01/1043046901.db2.gz HZYRROVNBRBFPE-LMNJBCLMSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901555 1043046910 /nfs/dbraw/zinc/04/69/10/1043046910.db2.gz HZYRROVNBRBFPE-LMNJBCLMSA-N 2 1 341.543 3.502 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001167837925 1043047566 /nfs/dbraw/zinc/04/75/66/1043047566.db2.gz NYJKNXIPTQAPCC-SFHVURJKSA-N 2 1 340.515 3.741 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001167839567 1043057324 /nfs/dbraw/zinc/05/73/24/1043057324.db2.gz AJIHJHFKCADVGF-SJORKVTESA-N 2 1 326.525 3.551 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001167839605 1043058200 /nfs/dbraw/zinc/05/82/00/1043058200.db2.gz ASUKWPZAVOISGZ-SFHVURJKSA-N 2 1 340.515 3.876 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001167839605 1043058206 /nfs/dbraw/zinc/05/82/06/1043058206.db2.gz ASUKWPZAVOISGZ-SFHVURJKSA-N 2 1 340.515 3.876 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001167839564 1043058604 /nfs/dbraw/zinc/05/86/04/1043058604.db2.gz AJIHJHFKCADVGF-IAGOWNOFSA-N 2 1 326.525 3.551 20 0 EHADMP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278963680 1043095042 /nfs/dbraw/zinc/09/50/42/1043095042.db2.gz MRGAUSZQJIPPKT-HUUCEWRRSA-N 2 1 339.439 3.941 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412090 1043116369 /nfs/dbraw/zinc/11/63/69/1043116369.db2.gz ACZDCKMCNRRFSX-KXBFYZLASA-N 2 1 336.907 3.808 20 0 EHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432426424 1043177022 /nfs/dbraw/zinc/17/70/22/1043177022.db2.gz ZYRQAKTTZKQAKA-GJZGRUSLSA-N 2 1 340.895 3.500 20 0 EHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432426424 1043177027 /nfs/dbraw/zinc/17/70/27/1043177027.db2.gz ZYRQAKTTZKQAKA-GJZGRUSLSA-N 2 1 340.895 3.500 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000279015505 1043192735 /nfs/dbraw/zinc/19/27/35/1043192735.db2.gz UDVOMPAWYRFZBP-CVEARBPZSA-N 2 1 327.472 3.974 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCCS2 ZINC000279049005 1043262343 /nfs/dbraw/zinc/26/23/43/1043262343.db2.gz XVYMRLVTYCTYSJ-YOEHRIQHSA-N 2 1 343.496 3.671 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)CC1 ZINC000512176366 1043645581 /nfs/dbraw/zinc/64/55/81/1043645581.db2.gz CMRMADFAADFHNS-LJQANCHMSA-N 2 1 340.511 3.906 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)CC1 ZINC000512176366 1043645585 /nfs/dbraw/zinc/64/55/85/1043645585.db2.gz CMRMADFAADFHNS-LJQANCHMSA-N 2 1 340.511 3.906 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212175 1044162338 /nfs/dbraw/zinc/16/23/38/1044162338.db2.gz KFAJURQCGGRVKO-OALUTQOASA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212175 1044162342 /nfs/dbraw/zinc/16/23/42/1044162342.db2.gz KFAJURQCGGRVKO-OALUTQOASA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000512212175 1044162348 /nfs/dbraw/zinc/16/23/48/1044162348.db2.gz KFAJURQCGGRVKO-OALUTQOASA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000512212175 1044162349 /nfs/dbraw/zinc/16/23/49/1044162349.db2.gz KFAJURQCGGRVKO-OALUTQOASA-N 2 1 329.532 3.839 20 0 EHADMP CC[N@@H+](CCC1CCN(c2[nH+]ccc3[nH]ccc32)CC1)CC1CC1 ZINC000663767810 1044219774 /nfs/dbraw/zinc/21/97/74/1044219774.db2.gz GTWZOBJLGZKMPF-UHFFFAOYSA-N 2 1 326.488 3.901 20 0 EHADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512243283 1044361501 /nfs/dbraw/zinc/36/15/01/1044361501.db2.gz KDXXDTDOAMIAAR-VXKWHMMOSA-N 2 1 342.527 3.526 20 0 EHADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243283 1044361519 /nfs/dbraw/zinc/36/15/19/1044361519.db2.gz KDXXDTDOAMIAAR-VXKWHMMOSA-N 2 1 342.527 3.526 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(=O)OCC)c2ccccc2)CC1 ZINC000512272759 1044493347 /nfs/dbraw/zinc/49/33/47/1044493347.db2.gz UUHJVZHODVWBPU-HXUWFJFHSA-N 2 1 346.515 3.735 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OCC)c2ccccc2)CC1 ZINC000512272759 1044493350 /nfs/dbraw/zinc/49/33/50/1044493350.db2.gz UUHJVZHODVWBPU-HXUWFJFHSA-N 2 1 346.515 3.735 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279775438 1044631748 /nfs/dbraw/zinc/63/17/48/1044631748.db2.gz SSTFYRVBSAZSNQ-UHFFFAOYSA-N 2 1 348.288 3.880 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000154298080 1125709750 /nfs/dbraw/zinc/70/97/50/1125709750.db2.gz RBISRTAIGSPVRT-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000154298080 1125709757 /nfs/dbraw/zinc/70/97/57/1125709757.db2.gz RBISRTAIGSPVRT-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298080 1125709759 /nfs/dbraw/zinc/70/97/59/1125709759.db2.gz RBISRTAIGSPVRT-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298080 1125709766 /nfs/dbraw/zinc/70/97/66/1125709766.db2.gz RBISRTAIGSPVRT-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171930629 1126770361 /nfs/dbraw/zinc/77/03/61/1126770361.db2.gz IYOUELRRKGEINU-UHFFFAOYSA-N 2 1 344.421 3.934 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171930629 1126770364 /nfs/dbraw/zinc/77/03/64/1126770364.db2.gz IYOUELRRKGEINU-UHFFFAOYSA-N 2 1 344.421 3.934 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1(C)C ZINC000623357868 1126929193 /nfs/dbraw/zinc/92/91/93/1126929193.db2.gz DEJIPWVRTHNHGN-SFHVURJKSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1(C)C ZINC000623357868 1126929195 /nfs/dbraw/zinc/92/91/95/1126929195.db2.gz DEJIPWVRTHNHGN-SFHVURJKSA-N 2 1 339.483 3.623 20 0 EHADMP C[N@H+]1CC[C@H](NCc2cc(F)ccc2Br)CC1(C)C ZINC000623364041 1126930902 /nfs/dbraw/zinc/93/09/02/1126930902.db2.gz PYFAZZYOIGOOGQ-ZDUSSCGKSA-N 2 1 329.257 3.551 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(Br)c(F)c2)CC1(C)C ZINC000623384630 1126939700 /nfs/dbraw/zinc/93/97/00/1126939700.db2.gz AQARWQYPIRZWEP-LBPRGKRZSA-N 2 1 329.257 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1(C)C ZINC000623384630 1126939705 /nfs/dbraw/zinc/93/97/05/1126939705.db2.gz AQARWQYPIRZWEP-LBPRGKRZSA-N 2 1 329.257 3.551 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422225 1126950967 /nfs/dbraw/zinc/95/09/67/1126950967.db2.gz NKQLVEBYPSDARB-FXAWDEMLSA-N 3 1 329.532 3.674 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623429539 1126954312 /nfs/dbraw/zinc/95/43/12/1126954312.db2.gz IEXLPQVWYIEMDA-CVEARBPZSA-N 2 1 335.923 3.771 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180550281 1127170763 /nfs/dbraw/zinc/17/07/63/1127170763.db2.gz VPFNRFYJRFUZLR-MRXNPFEDSA-N 2 1 335.923 3.714 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623986857 1127224982 /nfs/dbraw/zinc/22/49/82/1127224982.db2.gz IZQOHJZIFWDUCA-JBACZVJFSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123271 1127256533 /nfs/dbraw/zinc/25/65/33/1127256533.db2.gz IWEQHGJCGBDNET-PXNSSMCTSA-N 2 1 338.499 3.571 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123271 1127256536 /nfs/dbraw/zinc/25/65/36/1127256536.db2.gz IWEQHGJCGBDNET-PXNSSMCTSA-N 2 1 338.499 3.571 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121291 1127257037 /nfs/dbraw/zinc/25/70/37/1127257037.db2.gz SIUGMNPPAMOSMB-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000624121291 1127257041 /nfs/dbraw/zinc/25/70/41/1127257041.db2.gz SIUGMNPPAMOSMB-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2Br)CC[N@H+]1C ZINC000181523787 1127281407 /nfs/dbraw/zinc/28/14/07/1127281407.db2.gz FFRFSSLQDIMRFQ-KGLIPLIRSA-N 2 1 339.321 3.799 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(F)cc(Br)c1 ZINC000181527278 1127281774 /nfs/dbraw/zinc/28/17/74/1127281774.db2.gz UMKUAVWISSOJSQ-BLLLJJGKSA-N 2 1 343.284 3.971 20 0 EHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000181705302 1127290177 /nfs/dbraw/zinc/29/01/77/1127290177.db2.gz XQZZSIJRKYKJJD-QGZVFWFLSA-N 2 1 343.515 3.673 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000624223915 1127321596 /nfs/dbraw/zinc/32/15/96/1127321596.db2.gz HOVFNFIKOKMHSE-PPGORRQASA-N 2 1 340.511 3.587 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000624223914 1127321936 /nfs/dbraw/zinc/32/19/36/1127321936.db2.gz HOVFNFIKOKMHSE-KGWSWXIGSA-N 2 1 340.511 3.587 20 0 EHADMP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183929757 1127389708 /nfs/dbraw/zinc/38/97/08/1127389708.db2.gz OVXROCKBDLRLSX-QHAWAJNXSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370671898 1127428978 /nfs/dbraw/zinc/42/89/78/1127428978.db2.gz ZPWPZALEODUELR-OIISXLGYSA-N 2 1 338.442 3.826 20 0 EHADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299832 1127481881 /nfs/dbraw/zinc/48/18/81/1127481881.db2.gz ZVNZNLJCPWEMBM-APWZRJJASA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299832 1127481882 /nfs/dbraw/zinc/48/18/82/1127481882.db2.gz ZVNZNLJCPWEMBM-APWZRJJASA-N 2 1 342.458 3.835 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(Cl)c(C)nn2C)c1 ZINC000921551796 1127727743 /nfs/dbraw/zinc/72/77/43/1127727743.db2.gz QIHOQJPNKLECFX-UHFFFAOYSA-N 2 1 334.895 3.514 20 0 EHADMP CCC(C)(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000671684641 1127898556 /nfs/dbraw/zinc/89/85/56/1127898556.db2.gz NXLMESVIEUQQMW-NRFANRHFSA-N 2 1 343.559 3.586 20 0 EHADMP CCC(C)(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000671684641 1127898560 /nfs/dbraw/zinc/89/85/60/1127898560.db2.gz NXLMESVIEUQQMW-NRFANRHFSA-N 2 1 343.559 3.586 20 0 EHADMP Cc1ccc([C@@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000282159357 1128014165 /nfs/dbraw/zinc/01/41/65/1128014165.db2.gz UBPJUWUQXPYRMV-OAQYLSRUSA-N 2 1 343.559 3.509 20 0 EHADMP COc1cccc(OC)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000671706747 1128043791 /nfs/dbraw/zinc/04/37/91/1128043791.db2.gz VHQGGOHIGUHMHC-UHFFFAOYSA-N 2 1 340.467 3.589 20 0 EHADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000282235384 1128121601 /nfs/dbraw/zinc/12/16/01/1128121601.db2.gz ZRLIEPQRKTXECI-RBBKRZOGSA-N 2 1 343.559 3.589 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000623657512 1128451822 /nfs/dbraw/zinc/45/18/22/1128451822.db2.gz SJOFBGKMAWMADK-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000623657512 1128451825 /nfs/dbraw/zinc/45/18/25/1128451825.db2.gz SJOFBGKMAWMADK-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)c2C1 ZINC000347651480 1128512902 /nfs/dbraw/zinc/51/29/02/1128512902.db2.gz IPKULCRDJHJJCS-UHFFFAOYSA-N 2 1 349.478 3.904 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000475279002 1128711961 /nfs/dbraw/zinc/71/19/61/1128711961.db2.gz IRXYJLNEWCAIQT-ACIOBRDBSA-N 2 1 349.522 3.823 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnn1C1CCC1 ZINC000921816897 1128784518 /nfs/dbraw/zinc/78/45/18/1128784518.db2.gz QZNTUKALHLICPJ-LAUBAEHRSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816897 1128784521 /nfs/dbraw/zinc/78/45/21/1128784521.db2.gz QZNTUKALHLICPJ-LAUBAEHRSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816897 1128784524 /nfs/dbraw/zinc/78/45/24/1128784524.db2.gz QZNTUKALHLICPJ-LAUBAEHRSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816897 1128784526 /nfs/dbraw/zinc/78/45/26/1128784526.db2.gz QZNTUKALHLICPJ-LAUBAEHRSA-N 2 1 338.499 3.608 20 0 EHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCCC[C@H]1O ZINC001168675254 1128785943 /nfs/dbraw/zinc/78/59/43/1128785943.db2.gz DAIJAJLKYXOURC-LEWJYISDSA-N 2 1 330.516 3.655 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001648921083 1120200204 /nfs/dbraw/zinc/20/02/04/1120200204.db2.gz OZHGWCWCJBZLIV-SVFBPWRDSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001648921083 1120200207 /nfs/dbraw/zinc/20/02/07/1120200207.db2.gz OZHGWCWCJBZLIV-SVFBPWRDSA-N 2 1 343.559 3.607 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2cnn(C3CCC3)c2)c(C)c1 ZINC000921920128 1128917985 /nfs/dbraw/zinc/91/79/85/1128917985.db2.gz GMRUPCPPYULZLC-OAQYLSRUSA-N 2 1 349.482 3.953 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000189445136 1120586669 /nfs/dbraw/zinc/58/66/69/1120586669.db2.gz LMKXYNFEKZWVBI-BPLDGKMQSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000189445136 1120586673 /nfs/dbraw/zinc/58/66/73/1120586673.db2.gz LMKXYNFEKZWVBI-BPLDGKMQSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000494556476 1120593987 /nfs/dbraw/zinc/59/39/87/1120593987.db2.gz FCQZPEPYLRGEIB-UZLBHIALSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494556476 1120593990 /nfs/dbraw/zinc/59/39/90/1120593990.db2.gz FCQZPEPYLRGEIB-UZLBHIALSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494556476 1120593992 /nfs/dbraw/zinc/59/39/92/1120593992.db2.gz FCQZPEPYLRGEIB-UZLBHIALSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)c1ccnn1-c1ccccc1)[NH+]1CCCCC1 ZINC000467387820 1120743627 /nfs/dbraw/zinc/74/36/27/1120743627.db2.gz DJSQMGGERRXBPS-MSOLQXFVSA-N 2 1 326.488 3.787 20 0 EHADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193269905 1120768446 /nfs/dbraw/zinc/76/84/46/1120768446.db2.gz JDVVGFZNDKHYKQ-ZDUSSCGKSA-N 2 1 327.299 4.000 20 0 EHADMP Brc1cccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250087781 1120953784 /nfs/dbraw/zinc/95/37/84/1120953784.db2.gz UYSFHQVDOBGMJX-STCOUPBVSA-N 2 1 349.316 3.912 20 0 EHADMP CC[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236917717 1121468166 /nfs/dbraw/zinc/46/81/66/1121468166.db2.gz HGORJYLSPNMFHE-UHFFFAOYSA-N 2 1 341.282 3.843 20 0 EHADMP OCCCCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925179 1121525877 /nfs/dbraw/zinc/52/58/77/1121525877.db2.gz CDGUDKFFHORYFK-UHFFFAOYSA-N 2 1 344.543 3.917 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398008052 1121959500 /nfs/dbraw/zinc/95/95/00/1121959500.db2.gz AEZUXRJBCLSBDI-HMFYCAOWSA-N 2 1 338.495 3.823 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398008052 1121959503 /nfs/dbraw/zinc/95/95/03/1121959503.db2.gz AEZUXRJBCLSBDI-HMFYCAOWSA-N 2 1 338.495 3.823 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000398035719 1121963521 /nfs/dbraw/zinc/96/35/21/1121963521.db2.gz PQPAEBYZJQIBII-SIKLNZKXSA-N 2 1 338.495 3.703 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000398035719 1121963525 /nfs/dbraw/zinc/96/35/25/1121963525.db2.gz PQPAEBYZJQIBII-SIKLNZKXSA-N 2 1 338.495 3.703 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000528474138 1121986180 /nfs/dbraw/zinc/98/61/80/1121986180.db2.gz HTBZEWSYOOYGJK-UHFFFAOYSA-N 2 1 340.393 3.772 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccnc1C(F)(F)F ZINC000528474138 1121986185 /nfs/dbraw/zinc/98/61/85/1121986185.db2.gz HTBZEWSYOOYGJK-UHFFFAOYSA-N 2 1 340.393 3.772 20 0 EHADMP Cc1cccc(C)c1OCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000496879356 1122203353 /nfs/dbraw/zinc/20/33/53/1122203353.db2.gz BWFOXTVAEOAUGQ-UHFFFAOYSA-N 2 1 341.499 3.761 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](C3CC3)CC1)CCCC2 ZINC000126484882 1122408194 /nfs/dbraw/zinc/40/81/94/1122408194.db2.gz XIECOBWNPIZMSI-NRFANRHFSA-N 2 1 340.511 3.996 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000126536452 1122411421 /nfs/dbraw/zinc/41/14/21/1122411421.db2.gz GYJGRISTIWMMLF-KKSFZXQISA-N 2 1 340.511 3.853 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](C2CCCC2)CC1 ZINC000126974754 1122454669 /nfs/dbraw/zinc/45/46/69/1122454669.db2.gz ODGNUZPHYQUPLE-UHFFFAOYSA-N 2 1 343.559 3.705 20 0 EHADMP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000129286133 1122760129 /nfs/dbraw/zinc/76/01/29/1122760129.db2.gz UFVYAFUPDRTAGD-VQTJNVASSA-N 2 1 332.557 3.957 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2CO)CC1 ZINC000556870835 1123161369 /nfs/dbraw/zinc/16/13/69/1123161369.db2.gz JOBLRZPQCHFVQI-UHFFFAOYSA-N 2 1 338.495 3.712 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000556886391 1123166846 /nfs/dbraw/zinc/16/68/46/1123166846.db2.gz LYZZOCBJGSEHSF-OHLDOZIISA-N 2 1 342.527 3.834 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)nn(CCC)c2C)CC1 ZINC000134147278 1123494986 /nfs/dbraw/zinc/49/49/86/1123494986.db2.gz HUOBLZSJNPIVSK-UHFFFAOYSA-N 2 1 334.552 3.854 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000137138127 1123751385 /nfs/dbraw/zinc/75/13/85/1123751385.db2.gz LABKRISFMMXVNK-CMPLNLGQSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000137138127 1123751390 /nfs/dbraw/zinc/75/13/90/1123751390.db2.gz LABKRISFMMXVNK-CMPLNLGQSA-N 2 1 331.685 3.675 20 0 EHADMP CC[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC1 ZINC000245712847 1123933883 /nfs/dbraw/zinc/93/38/83/1123933883.db2.gz NMVVNMFVENZOTI-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ncc(-c4ccccc4)s3)CC[C@H]21 ZINC000245945065 1123987684 /nfs/dbraw/zinc/98/76/84/1123987684.db2.gz NNSCSVUCMSDXBM-IAGOWNOFSA-N 2 1 327.497 3.726 20 0 EHADMP C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1nccn1C ZINC000246066159 1124011098 /nfs/dbraw/zinc/01/10/98/1124011098.db2.gz SBUYRLNQXAMMDX-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1nccn1C ZINC000246066159 1124011102 /nfs/dbraw/zinc/01/11/02/1124011102.db2.gz SBUYRLNQXAMMDX-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1nccn1C ZINC000246066159 1124011108 /nfs/dbraw/zinc/01/11/08/1124011108.db2.gz SBUYRLNQXAMMDX-FGTMMUONSA-N 2 1 340.515 3.749 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000246450251 1124469920 /nfs/dbraw/zinc/46/99/20/1124469920.db2.gz PFLZHYDFWDDIHL-HKUYNNGSSA-N 2 1 336.545 3.806 20 0 EHADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246456466 1124472118 /nfs/dbraw/zinc/47/21/18/1124472118.db2.gz FESUDMINQADNPZ-AZUAARDMSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246456466 1124472120 /nfs/dbraw/zinc/47/21/20/1124472120.db2.gz FESUDMINQADNPZ-AZUAARDMSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246456466 1124472127 /nfs/dbraw/zinc/47/21/27/1124472127.db2.gz FESUDMINQADNPZ-AZUAARDMSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246456466 1124472129 /nfs/dbraw/zinc/47/21/29/1124472129.db2.gz FESUDMINQADNPZ-AZUAARDMSA-N 2 1 328.500 3.713 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccnc(OC3CCCCC3)c2)[C@@H](C)C1 ZINC000246876356 1124563104 /nfs/dbraw/zinc/56/31/04/1124563104.db2.gz CUNZJRDAIGIIGR-QFBILLFUSA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@@H](C)C1 ZINC000246876356 1124563113 /nfs/dbraw/zinc/56/31/13/1124563113.db2.gz CUNZJRDAIGIIGR-QFBILLFUSA-N 2 1 331.504 3.613 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)C1 ZINC000247184000 1124594811 /nfs/dbraw/zinc/59/48/11/1124594811.db2.gz VLPJOHDRBPTVQX-SJORKVTESA-N 2 1 334.504 3.867 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000248448659 1124664145 /nfs/dbraw/zinc/66/41/45/1124664145.db2.gz OBXALMZRZFZSPM-WIYYLYMNSA-N 2 1 338.495 3.721 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248572438 1124675150 /nfs/dbraw/zinc/67/51/50/1124675150.db2.gz MLJUCXRXTAJLPC-SQNIBIBYSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248572438 1124675153 /nfs/dbraw/zinc/67/51/53/1124675153.db2.gz MLJUCXRXTAJLPC-SQNIBIBYSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248572438 1124675158 /nfs/dbraw/zinc/67/51/58/1124675158.db2.gz MLJUCXRXTAJLPC-SQNIBIBYSA-N 2 1 343.515 3.565 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248580955 1124676171 /nfs/dbraw/zinc/67/61/71/1124676171.db2.gz OPCFXQQCHDFCCH-DYXWJJEUSA-N 2 1 332.532 3.592 20 0 EHADMP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000522017923 1124721973 /nfs/dbraw/zinc/72/19/73/1124721973.db2.gz MTXQTBNHWZIRJC-IRLDBZIGSA-N 2 1 337.511 3.938 20 0 EHADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000522017923 1124721979 /nfs/dbraw/zinc/72/19/79/1124721979.db2.gz MTXQTBNHWZIRJC-IRLDBZIGSA-N 2 1 337.511 3.938 20 0 EHADMP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181541136 1124919951 /nfs/dbraw/zinc/91/99/51/1124919951.db2.gz MJALLSUBVFFBRG-QZTJIDSGSA-N 2 1 342.487 3.649 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccncc3F)c2)CC1 ZINC000449128775 1124951486 /nfs/dbraw/zinc/95/14/86/1124951486.db2.gz APXBOMWGMAEKIG-UHFFFAOYSA-N 2 1 327.447 3.742 20 0 EHADMP Brc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000091284468 1124972921 /nfs/dbraw/zinc/97/29/21/1124972921.db2.gz RSPDYIWBVFLYCJ-ACJLOTCBSA-N 2 1 349.316 3.974 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000091336501 1124977347 /nfs/dbraw/zinc/97/73/47/1124977347.db2.gz SNTCTSSJDFLUBY-RTWAWAEBSA-N 2 1 348.506 3.884 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000353621287 1124982123 /nfs/dbraw/zinc/98/21/23/1124982123.db2.gz LQAAYCCJGTZWBW-IMFGXOCKSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCc3[nH]ncc32)C[N@@H+]1Cc1ccccc1 ZINC000353621287 1124982126 /nfs/dbraw/zinc/98/21/26/1124982126.db2.gz LQAAYCCJGTZWBW-IMFGXOCKSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCc3[nH]ncc32)C[N@H+]1Cc1ccccc1 ZINC000353621287 1124982128 /nfs/dbraw/zinc/98/21/28/1124982128.db2.gz LQAAYCCJGTZWBW-IMFGXOCKSA-N 2 1 338.499 3.677 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000093397615 1125240471 /nfs/dbraw/zinc/24/04/71/1125240471.db2.gz DXADFMXWBCWZJP-FQEVSTJZSA-N 2 1 349.588 3.987 20 0 EHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644902 1125281462 /nfs/dbraw/zinc/28/14/62/1125281462.db2.gz GLYKYLSCYZTKRN-KEYYUXOJSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644902 1125281464 /nfs/dbraw/zinc/28/14/64/1125281464.db2.gz GLYKYLSCYZTKRN-KEYYUXOJSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644902 1125281466 /nfs/dbraw/zinc/28/14/66/1125281466.db2.gz GLYKYLSCYZTKRN-KEYYUXOJSA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644902 1125281468 /nfs/dbraw/zinc/28/14/68/1125281468.db2.gz GLYKYLSCYZTKRN-KEYYUXOJSA-N 2 1 339.321 3.967 20 0 EHADMP Cc1[nH+]cc(CNc2ccc(SCC[NH+]3CCCCC3)cc2)n1C ZINC000657498203 1129376375 /nfs/dbraw/zinc/37/63/75/1129376375.db2.gz BXNUWYOGMFBIPX-UHFFFAOYSA-N 2 1 344.528 3.919 20 0 EHADMP CC1(C)OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787274 1129483585 /nfs/dbraw/zinc/48/35/85/1129483585.db2.gz SYFGLRZGQHWTMO-RBUKOAKNSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787274 1129483586 /nfs/dbraw/zinc/48/35/86/1129483586.db2.gz SYFGLRZGQHWTMO-RBUKOAKNSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1c([C@H](C)NCC[C@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473388 1129510483 /nfs/dbraw/zinc/51/04/83/1129510483.db2.gz GFAITRLENLKYAL-MAUKXSAKSA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473388 1129510486 /nfs/dbraw/zinc/51/04/86/1129510486.db2.gz GFAITRLENLKYAL-MAUKXSAKSA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473388 1129510487 /nfs/dbraw/zinc/51/04/87/1129510487.db2.gz GFAITRLENLKYAL-MAUKXSAKSA-N 2 1 344.478 3.845 20 0 EHADMP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000390764190 1129632901 /nfs/dbraw/zinc/63/29/01/1129632901.db2.gz CVQLPVGMAAQJOO-KRWDZBQOSA-N 2 1 325.481 3.622 20 0 EHADMP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390764190 1129632904 /nfs/dbraw/zinc/63/29/04/1129632904.db2.gz CVQLPVGMAAQJOO-KRWDZBQOSA-N 2 1 325.481 3.622 20 0 EHADMP C[C@@H]1CN(Cc2ncc(CN(C)C)s2)CC[C@@H]1c1ccccc1 ZINC000347860034 1129937897 /nfs/dbraw/zinc/93/78/97/1129937897.db2.gz RJQYEYYTAPFOGI-QAPCUYQASA-N 2 1 329.513 3.830 20 0 EHADMP CCCc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000674232261 1130031279 /nfs/dbraw/zinc/03/12/79/1130031279.db2.gz XUEHLBHUQZYNFF-UHFFFAOYSA-N 2 1 338.499 3.805 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1(F)F ZINC000658216223 1130274918 /nfs/dbraw/zinc/27/49/18/1130274918.db2.gz AMYDFPFGHQKUEV-WJFTUGDTSA-N 2 1 334.454 3.922 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000675748294 1130470093 /nfs/dbraw/zinc/47/00/93/1130470093.db2.gz WAEICLQEQXRYHG-RBUKOAKNSA-N 3 1 343.559 3.738 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536838552 1130594681 /nfs/dbraw/zinc/59/46/81/1130594681.db2.gz HWGGKCNKIMAWJL-JMUQELJHSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536838552 1130594686 /nfs/dbraw/zinc/59/46/86/1130594686.db2.gz HWGGKCNKIMAWJL-JMUQELJHSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838552 1130594688 /nfs/dbraw/zinc/59/46/88/1130594688.db2.gz HWGGKCNKIMAWJL-JMUQELJHSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838552 1130594691 /nfs/dbraw/zinc/59/46/91/1130594691.db2.gz HWGGKCNKIMAWJL-JMUQELJHSA-N 2 1 349.522 3.816 20 0 EHADMP Brc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166616119 1130595930 /nfs/dbraw/zinc/59/59/30/1130595930.db2.gz HKZGGMDSKRYICE-IAGOWNOFSA-N 2 1 349.316 3.697 20 0 EHADMP CC[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000732208118 1130896469 /nfs/dbraw/zinc/89/64/69/1130896469.db2.gz HLIKWJCWHAFIJP-IYWMVGAKSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000732208118 1130896476 /nfs/dbraw/zinc/89/64/76/1130896476.db2.gz HLIKWJCWHAFIJP-IYWMVGAKSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000732208118 1130896485 /nfs/dbraw/zinc/89/64/85/1130896485.db2.gz HLIKWJCWHAFIJP-IYWMVGAKSA-N 2 1 340.552 3.545 20 0 EHADMP CCOCC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001172424351 1131723176 /nfs/dbraw/zinc/72/31/76/1131723176.db2.gz NTXORPDLVCNZOQ-FIRPJDEBSA-N 2 1 330.516 3.912 20 0 EHADMP CCOCC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001172424351 1131723186 /nfs/dbraw/zinc/72/31/86/1131723186.db2.gz NTXORPDLVCNZOQ-FIRPJDEBSA-N 2 1 330.516 3.912 20 0 EHADMP CCOCC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001172424351 1131723191 /nfs/dbraw/zinc/72/31/91/1131723191.db2.gz NTXORPDLVCNZOQ-FIRPJDEBSA-N 2 1 330.516 3.912 20 0 EHADMP CC(C)COCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172469945 1131733949 /nfs/dbraw/zinc/73/39/49/1131733949.db2.gz YIJAMGKQRQXSFZ-MISYRCLQSA-N 2 1 333.520 3.605 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172475246 1131736147 /nfs/dbraw/zinc/73/61/47/1131736147.db2.gz HBYOBQXMPBOJPO-LJQANCHMSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172475246 1131736153 /nfs/dbraw/zinc/73/61/53/1131736153.db2.gz HBYOBQXMPBOJPO-LJQANCHMSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172464410 1131752785 /nfs/dbraw/zinc/75/27/85/1131752785.db2.gz LFXJPICDCAZBBA-LJQANCHMSA-N 2 1 332.532 3.734 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)n1cc[nH+]c1CCC[NH3+] ZINC001172572060 1131777461 /nfs/dbraw/zinc/77/74/61/1131777461.db2.gz SIYNSBSAVIQNTQ-LLVKDONJSA-N 2 1 327.806 3.900 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743388610 1131908565 /nfs/dbraw/zinc/90/85/65/1131908565.db2.gz UNDWWLKVKCQOBA-MRXNPFEDSA-N 2 1 329.513 3.992 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951581 1131928229 /nfs/dbraw/zinc/92/82/29/1131928229.db2.gz RTFUPOGIAJVAPT-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951581 1131928234 /nfs/dbraw/zinc/92/82/34/1131928234.db2.gz RTFUPOGIAJVAPT-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173082658 1131961399 /nfs/dbraw/zinc/96/13/99/1131961399.db2.gz NXDBWSMOJCIZHD-HOCLYGCPSA-N 2 1 344.421 3.838 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173111390 1131970600 /nfs/dbraw/zinc/97/06/00/1131970600.db2.gz CVGFZXMGMVJOEM-KPQWGBOZSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001173115451 1131971416 /nfs/dbraw/zinc/97/14/16/1131971416.db2.gz CSWQBUDEFXAJPP-UHFFFAOYSA-N 3 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)CC1 ZINC001173113865 1131971992 /nfs/dbraw/zinc/97/19/92/1131971992.db2.gz NHVQZIKLJILXMV-MHJFOBGBSA-N 2 1 345.531 3.886 20 0 EHADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846775 1131985239 /nfs/dbraw/zinc/98/52/39/1131985239.db2.gz YGVGYGWDHMETIB-TZIWHRDSSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846775 1131985245 /nfs/dbraw/zinc/98/52/45/1131985245.db2.gz YGVGYGWDHMETIB-TZIWHRDSSA-N 2 1 330.516 3.616 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(Oc3ccccc3)CC1)C2 ZINC001173199013 1131997343 /nfs/dbraw/zinc/99/73/43/1131997343.db2.gz OWAWZSPMTAEVMW-NFJCTOKBSA-N 2 1 328.500 3.982 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(Oc3ccccc3)CC1)C2 ZINC001173199013 1131997354 /nfs/dbraw/zinc/99/73/54/1131997354.db2.gz OWAWZSPMTAEVMW-NFJCTOKBSA-N 2 1 328.500 3.982 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001173449011 1132079234 /nfs/dbraw/zinc/07/92/34/1132079234.db2.gz RLHBQEGWFBHXPB-WSTZPKSXSA-N 2 1 346.515 3.609 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001173449011 1132079241 /nfs/dbraw/zinc/07/92/41/1132079241.db2.gz RLHBQEGWFBHXPB-WSTZPKSXSA-N 2 1 346.515 3.609 20 0 EHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173636336 1132112132 /nfs/dbraw/zinc/11/21/32/1132112132.db2.gz YOOYZABYNBQPJR-RWQQGDIJSA-N 2 1 338.536 3.869 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C[C@@H]3CCOc4ccccc43)C2)cc1 ZINC000385723680 1132503046 /nfs/dbraw/zinc/50/30/46/1132503046.db2.gz JNAUVNSOCCKFGU-UXHICEINSA-N 2 1 336.479 3.664 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205991729 1132534716 /nfs/dbraw/zinc/53/47/16/1132534716.db2.gz BTAFZRDQKJUTJE-NEPJUHHUSA-N 2 1 345.712 3.909 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099572 1132655648 /nfs/dbraw/zinc/65/56/48/1132655648.db2.gz BTAGQBYMFCLHJP-LJCCNALRSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1ccccc1Br)C2 ZINC001169099530 1132656287 /nfs/dbraw/zinc/65/62/87/1132656287.db2.gz ANJLNLBQHGMOIS-PHZGNYQRSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(Cl)c3)CCOCC1)C2 ZINC001169119073 1132663849 /nfs/dbraw/zinc/66/38/49/1132663849.db2.gz PTAUZZRDZBEBIN-LDLYASANSA-N 2 1 348.918 3.647 20 0 EHADMP COc1ccccc1CC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169129189 1132666317 /nfs/dbraw/zinc/66/63/17/1132666317.db2.gz HVIKAZLMENOMCP-PMOLBWCYSA-N 2 1 328.500 3.575 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154431 1132680408 /nfs/dbraw/zinc/68/04/08/1132680408.db2.gz QQOPTVQUYQYNTP-MUJYYYPQSA-N 2 1 340.389 3.569 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154431 1132680412 /nfs/dbraw/zinc/68/04/12/1132680412.db2.gz QQOPTVQUYQYNTP-MUJYYYPQSA-N 2 1 340.389 3.569 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154431 1132680415 /nfs/dbraw/zinc/68/04/15/1132680415.db2.gz QQOPTVQUYQYNTP-MUJYYYPQSA-N 2 1 340.389 3.569 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154431 1132680420 /nfs/dbraw/zinc/68/04/20/1132680420.db2.gz QQOPTVQUYQYNTP-MUJYYYPQSA-N 2 1 340.389 3.569 20 0 EHADMP CC[N@H+](Cc1ccc(Br)cc1)C1CC[NH+](CC)CC1 ZINC001169265016 1132705831 /nfs/dbraw/zinc/70/58/31/1132705831.db2.gz KNDUZVXNTIDIQB-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)cc1)C1CC[NH+](CC)CC1 ZINC001169265016 1132705837 /nfs/dbraw/zinc/70/58/37/1132705837.db2.gz KNDUZVXNTIDIQB-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001169241142 1132707269 /nfs/dbraw/zinc/70/72/69/1132707269.db2.gz IGHCOOAEIOERFA-FQEVSTJZSA-N 2 1 334.479 3.757 20 0 EHADMP CC(C)C[N@@H+](C[C@H]1CCCC12CCOCC2)CC1CC[NH+](C)CC1 ZINC001175601657 1132708368 /nfs/dbraw/zinc/70/83/68/1132708368.db2.gz QQEWRBDJLPYUNU-HXUWFJFHSA-N 2 1 336.564 3.883 20 0 EHADMP CC[NH+]1CCC(N2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001169254967 1132710102 /nfs/dbraw/zinc/71/01/02/1132710102.db2.gz LFZWLXGPGLHQAW-FKBYEOEOSA-N 2 1 341.543 3.581 20 0 EHADMP CCN1CCC([N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)CC1 ZINC001169254967 1132710107 /nfs/dbraw/zinc/71/01/07/1132710107.db2.gz LFZWLXGPGLHQAW-FKBYEOEOSA-N 2 1 341.543 3.581 20 0 EHADMP CCN1CCC([N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)CC1 ZINC001169254967 1132710113 /nfs/dbraw/zinc/71/01/13/1132710113.db2.gz LFZWLXGPGLHQAW-FKBYEOEOSA-N 2 1 341.543 3.581 20 0 EHADMP CCN1CCC([NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001169254967 1132710120 /nfs/dbraw/zinc/71/01/20/1132710120.db2.gz LFZWLXGPGLHQAW-FKBYEOEOSA-N 2 1 341.543 3.581 20 0 EHADMP CCN1CCC([NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001169254967 1132710124 /nfs/dbraw/zinc/71/01/24/1132710124.db2.gz LFZWLXGPGLHQAW-FKBYEOEOSA-N 2 1 341.543 3.581 20 0 EHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC001175905782 1132794391 /nfs/dbraw/zinc/79/43/91/1132794391.db2.gz CRSXLMRNKFDBRX-OAQYLSRUSA-N 2 1 347.522 3.626 20 0 EHADMP COc1cc2c(cc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC001177299586 1133048409 /nfs/dbraw/zinc/04/84/09/1133048409.db2.gz WQQCSEWQYRVPFN-IRXDYDNUSA-N 2 1 346.515 3.763 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001177295191 1133048846 /nfs/dbraw/zinc/04/88/46/1133048846.db2.gz YXJARXFXNPSDAP-KBPBESRZSA-N 2 1 344.421 3.885 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001177459511 1133065054 /nfs/dbraw/zinc/06/50/54/1133065054.db2.gz RGKZEXMGMSWJDT-AKHDSKFASA-N 2 1 332.532 3.972 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026691 1133093523 /nfs/dbraw/zinc/09/35/23/1133093523.db2.gz UBRXNEUCHDWGAO-GHMZBOCLSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001206318107 1133136713 /nfs/dbraw/zinc/13/67/13/1133136713.db2.gz MMQGKJIXXBEVNR-AWEZNQCLSA-N 2 1 335.801 3.705 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001206318107 1133136716 /nfs/dbraw/zinc/13/67/16/1133136716.db2.gz MMQGKJIXXBEVNR-AWEZNQCLSA-N 2 1 335.801 3.705 20 0 EHADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1C ZINC001178412511 1133167308 /nfs/dbraw/zinc/16/73/08/1133167308.db2.gz VUWJOQNXMQNPIO-UHFFFAOYSA-N 2 1 344.499 3.526 20 0 EHADMP COc1c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001206336011 1133180679 /nfs/dbraw/zinc/18/06/79/1133180679.db2.gz JLGPLQVEBNVRCB-INIZCTEOSA-N 2 1 331.287 3.953 20 0 EHADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206337689 1133187050 /nfs/dbraw/zinc/18/70/50/1133187050.db2.gz VHTLYVSEJIENRK-MRXNPFEDSA-N 2 1 325.294 3.708 20 0 EHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC001178970952 1133217728 /nfs/dbraw/zinc/21/77/28/1133217728.db2.gz AWYSQGNTWAKTDK-VXSCBNMQSA-N 2 1 344.543 3.939 20 0 EHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC001178970952 1133217731 /nfs/dbraw/zinc/21/77/31/1133217731.db2.gz AWYSQGNTWAKTDK-VXSCBNMQSA-N 2 1 344.543 3.939 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769316208 1133260914 /nfs/dbraw/zinc/26/09/14/1133260914.db2.gz YKVNHOQQYSDVQS-UHFFFAOYSA-N 2 1 339.483 3.896 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769316208 1133260918 /nfs/dbraw/zinc/26/09/18/1133260918.db2.gz YKVNHOQQYSDVQS-UHFFFAOYSA-N 2 1 339.483 3.896 20 0 EHADMP CC[NH+](CC)CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC001179804983 1133285073 /nfs/dbraw/zinc/28/50/73/1133285073.db2.gz CBIVIINSUKARSA-NJYVYQBISA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2occc2Br)CC1 ZINC000769497305 1133301755 /nfs/dbraw/zinc/30/17/55/1133301755.db2.gz BZGXCBIDQOJTRC-UHFFFAOYSA-N 2 1 329.282 3.596 20 0 EHADMP CCN1CCC([N@H+]2CCCN(Cc3ccc(Cl)c(C)c3)CC2)CC1 ZINC001182433143 1133657026 /nfs/dbraw/zinc/65/70/26/1133657026.db2.gz IDLHWILFJYPWKS-UHFFFAOYSA-N 2 1 349.950 3.640 20 0 EHADMP CC(C)(C)[C@]1(C[N@H+]2CCC3(COC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182998771 1133756002 /nfs/dbraw/zinc/75/60/02/1133756002.db2.gz CKXDBYYGFNCBHX-JOCHJYFZSA-N 2 1 342.527 3.647 20 0 EHADMP CC(C)(C)[C@]1(C[NH+]2CCC3(COC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182998771 1133756008 /nfs/dbraw/zinc/75/60/08/1133756008.db2.gz CKXDBYYGFNCBHX-JOCHJYFZSA-N 2 1 342.527 3.647 20 0 EHADMP CC(C)(C)[C@]1(C[NH+]2CCC3(COC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182998771 1133756012 /nfs/dbraw/zinc/75/60/12/1133756012.db2.gz CKXDBYYGFNCBHX-JOCHJYFZSA-N 2 1 342.527 3.647 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205303321 1133967424 /nfs/dbraw/zinc/96/74/24/1133967424.db2.gz CPBVPGNMCSKFLN-JQWIXIFHSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205303321 1133967428 /nfs/dbraw/zinc/96/74/28/1133967428.db2.gz CPBVPGNMCSKFLN-JQWIXIFHSA-N 2 1 336.785 3.655 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](C)C1 ZINC000787268332 1133986888 /nfs/dbraw/zinc/98/68/88/1133986888.db2.gz DWAXYZPCYGVPAK-AAEUAGOBSA-N 2 1 349.828 3.916 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cnc(Cl)c(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001206035782 1134113065 /nfs/dbraw/zinc/11/30/65/1134113065.db2.gz DOUUZNCRSLLQCB-ZJUUUORDSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cnc(Cl)c(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001206035782 1134113066 /nfs/dbraw/zinc/11/30/66/1134113066.db2.gz DOUUZNCRSLLQCB-ZJUUUORDSA-N 2 1 336.694 3.849 20 0 EHADMP CC[NH+](CC)c1ccc(Nc2cnn(CCC[NH+](C)C)c2)c(C)c1 ZINC001187162707 1134299743 /nfs/dbraw/zinc/29/97/43/1134299743.db2.gz CESZGMRNSKGNAR-UHFFFAOYSA-N 2 1 329.492 3.733 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[NH+]1CCC(C)CC1 ZINC000775370366 1134674178 /nfs/dbraw/zinc/67/41/78/1134674178.db2.gz URUWNDADHITSER-BRSBDYLESA-N 2 1 342.618 3.712 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001191453230 1134860659 /nfs/dbraw/zinc/86/06/59/1134860659.db2.gz DORLHLCXOBQFCD-UXHICEINSA-N 2 1 330.516 3.539 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](Cc2ccccc2C)C2CC2)cn1 ZINC000793526834 1134947014 /nfs/dbraw/zinc/94/70/14/1134947014.db2.gz XVFHQLKEBVSGQD-OAQYLSRUSA-N 2 1 346.478 3.995 20 0 EHADMP C[C@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205602508 1135025770 /nfs/dbraw/zinc/02/57/70/1135025770.db2.gz IZFUREKFCDHMAF-HOCLYGCPSA-N 2 1 339.321 3.689 20 0 EHADMP COc1c(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205617964 1135082116 /nfs/dbraw/zinc/08/21/16/1135082116.db2.gz QAKGRAOBQSBRKZ-WCQYABFASA-N 2 1 331.287 3.809 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205638099 1135154005 /nfs/dbraw/zinc/15/40/05/1135154005.db2.gz LJIJJTHKBBHRQE-GHMZBOCLSA-N 2 1 335.801 3.561 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Br)c1 ZINC001205639077 1135169096 /nfs/dbraw/zinc/16/90/96/1135169096.db2.gz VLXJVUCXPXQJGS-OLZOCXBDSA-N 2 1 343.284 3.703 20 0 EHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3cccc(Cl)c3)C2)C1 ZINC001203797960 1135288645 /nfs/dbraw/zinc/28/86/45/1135288645.db2.gz SDIJUGVQIUBQJD-IBGZPJMESA-N 2 1 336.907 3.663 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H](O)c2ccccc2)CC1)CC1CC1 ZINC000808741853 1135734440 /nfs/dbraw/zinc/73/44/40/1135734440.db2.gz RFMCVHMGLNMPSH-QFIPXVFZSA-N 2 1 344.543 3.944 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCC2(CC1)OCCO2 ZINC000809739599 1135883693 /nfs/dbraw/zinc/88/36/93/1135883693.db2.gz PDXPOOCZPZMZNN-UHFFFAOYSA-N 2 1 346.515 3.503 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)CC2 ZINC001199335767 1135898970 /nfs/dbraw/zinc/89/89/70/1135898970.db2.gz BYJHNZBYGPFAPQ-PZJWPPBQSA-N 2 1 330.516 3.653 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)C1 ZINC001199743456 1135925456 /nfs/dbraw/zinc/92/54/56/1135925456.db2.gz VTQXFNNUOSDPHZ-SJLPKXTDSA-N 2 1 334.504 3.694 20 0 EHADMP CN(C)c1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001201474690 1136032032 /nfs/dbraw/zinc/03/20/32/1136032032.db2.gz KDRIPBNZKQVJDB-UXHICEINSA-N 2 1 334.467 3.880 20 0 EHADMP CCC(CC)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201528062 1136039127 /nfs/dbraw/zinc/03/91/27/1136039127.db2.gz IITFHDVZJFHPNF-UHFFFAOYSA-N 2 1 330.516 3.790 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001202073295 1136095198 /nfs/dbraw/zinc/09/51/98/1136095198.db2.gz MAFSBAZMMJXDAM-KRWDZBQOSA-N 2 1 334.504 3.771 20 0 EHADMP C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCCC1)C2)C1CC1 ZINC001202161399 1136103418 /nfs/dbraw/zinc/10/34/18/1136103418.db2.gz UACMDVFMNNHIHI-VXKWHMMOSA-N 2 1 346.559 3.637 20 0 EHADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001202161399 1136103420 /nfs/dbraw/zinc/10/34/20/1136103420.db2.gz UACMDVFMNNHIHI-VXKWHMMOSA-N 2 1 346.559 3.637 20 0 EHADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001202161399 1136103423 /nfs/dbraw/zinc/10/34/23/1136103423.db2.gz UACMDVFMNNHIHI-VXKWHMMOSA-N 2 1 346.559 3.637 20 0 EHADMP C[C@@]1(C[NH2+]Cc2ccc3nccnc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001202219092 1136112245 /nfs/dbraw/zinc/11/22/45/1136112245.db2.gz DMIHNWTYLNCJNI-QFIPXVFZSA-N 2 1 346.478 3.632 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049012 1136164451 /nfs/dbraw/zinc/16/44/51/1136164451.db2.gz UYPWJXSTVGJARY-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049012 1136164453 /nfs/dbraw/zinc/16/44/53/1136164453.db2.gz UYPWJXSTVGJARY-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049012 1136164455 /nfs/dbraw/zinc/16/44/55/1136164455.db2.gz UYPWJXSTVGJARY-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137049012 1136164456 /nfs/dbraw/zinc/16/44/56/1136164456.db2.gz UYPWJXSTVGJARY-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372937 1136244106 /nfs/dbraw/zinc/24/41/06/1136244106.db2.gz BLIRFOWHINPZAN-STZQEDGTSA-N 2 1 348.490 3.952 20 0 EHADMP O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372937 1136244110 /nfs/dbraw/zinc/24/41/10/1136244110.db2.gz BLIRFOWHINPZAN-STZQEDGTSA-N 2 1 348.490 3.952 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000812844935 1136259424 /nfs/dbraw/zinc/25/94/24/1136259424.db2.gz NCFMCMOJPCFWIH-FXAWDEMLSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000812844935 1136259426 /nfs/dbraw/zinc/25/94/26/1136259426.db2.gz NCFMCMOJPCFWIH-FXAWDEMLSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850533530 1136280437 /nfs/dbraw/zinc/28/04/37/1136280437.db2.gz AWXZLTJPBLDSES-XWIAVFTESA-N 2 1 347.409 3.646 20 0 EHADMP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789619 1136362232 /nfs/dbraw/zinc/36/22/32/1136362232.db2.gz VRIWBAHJHAZZTH-AMGDKJTDSA-N 2 1 342.527 3.977 20 0 EHADMP CCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC000813789744 1136362522 /nfs/dbraw/zinc/36/25/22/1136362522.db2.gz CCJSQFMZPHGSOW-IHWFROFDSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000813880192 1136371845 /nfs/dbraw/zinc/37/18/45/1136371845.db2.gz CAEGPKHOPFFEBL-OHSMVPPVSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000813880192 1136371849 /nfs/dbraw/zinc/37/18/49/1136371849.db2.gz CAEGPKHOPFFEBL-OHSMVPPVSA-N 2 1 338.499 3.656 20 0 EHADMP CC(C)C(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814640064 1136487709 /nfs/dbraw/zinc/48/77/09/1136487709.db2.gz PZZIGZSXESHYOL-UHFFFAOYSA-N 2 1 328.500 3.590 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000815071814 1136546613 /nfs/dbraw/zinc/54/66/13/1136546613.db2.gz WIVKBQZHPZEQIX-DQLDELGASA-N 2 1 326.484 3.535 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1SC(C)(C)C ZINC000815563559 1136611385 /nfs/dbraw/zinc/61/13/85/1136611385.db2.gz GZIJYXMRELULGZ-HZPDHXFCSA-N 2 1 336.545 3.685 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000776802300 1136685335 /nfs/dbraw/zinc/68/53/35/1136685335.db2.gz FFXQKIOXMOOXTB-NQIIRXRSSA-N 2 1 345.531 3.836 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+]([C@@H]2CCCOCC2)C3)cc1 ZINC001170835297 1136740858 /nfs/dbraw/zinc/74/08/58/1136740858.db2.gz QXFPRBDMHCQAHF-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+]([C@@H]2CCCOCC2)C3)cc1 ZINC001170835297 1136740860 /nfs/dbraw/zinc/74/08/60/1136740860.db2.gz QXFPRBDMHCQAHF-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+]([C@@H]2CCCOCC2)C3)cc1 ZINC001170835297 1136740862 /nfs/dbraw/zinc/74/08/62/1136740862.db2.gz QXFPRBDMHCQAHF-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000429527622 1136751523 /nfs/dbraw/zinc/75/15/23/1136751523.db2.gz MXBGNVYDOQXKNR-BJLQDIEVSA-N 2 1 330.516 3.834 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000429527622 1136751524 /nfs/dbraw/zinc/75/15/24/1136751524.db2.gz MXBGNVYDOQXKNR-BJLQDIEVSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001170861098 1136795583 /nfs/dbraw/zinc/79/55/83/1136795583.db2.gz LLSPLHHJUGETNA-SFHVURJKSA-N 2 1 327.516 3.716 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000856591283 1136798087 /nfs/dbraw/zinc/79/80/87/1136798087.db2.gz LZJQEXAZNJSVKU-UTKZUKDTSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000856591283 1136798089 /nfs/dbraw/zinc/79/80/89/1136798089.db2.gz LZJQEXAZNJSVKU-UTKZUKDTSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000856591283 1136798091 /nfs/dbraw/zinc/79/80/91/1136798091.db2.gz LZJQEXAZNJSVKU-UTKZUKDTSA-N 2 1 339.483 3.748 20 0 EHADMP Cc1cn2cc(NC(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)ccc2n1 ZINC000857096601 1136844735 /nfs/dbraw/zinc/84/47/35/1136844735.db2.gz FEJVUVMKGSHPHG-GOSISDBHSA-N 2 1 348.450 3.704 20 0 EHADMP COc1c(C)cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000817939307 1136847751 /nfs/dbraw/zinc/84/77/51/1136847751.db2.gz CBMQKZKPXSGLGY-OAHLLOKOSA-N 2 1 347.890 3.883 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817969309 1136853806 /nfs/dbraw/zinc/85/38/06/1136853806.db2.gz UMIRRZVGCZBLIM-GXVGGZGZSA-N 2 1 330.516 3.528 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000818960380 1136891137 /nfs/dbraw/zinc/89/11/37/1136891137.db2.gz BXQHUWAGMPTUFT-FQEVSTJZSA-N 2 1 348.437 3.628 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000818959556 1136895918 /nfs/dbraw/zinc/89/59/18/1136895918.db2.gz NWCFKIQBEMOFIV-AVRDEDQJSA-N 2 1 340.511 3.975 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000818959420 1136895951 /nfs/dbraw/zinc/89/59/51/1136895951.db2.gz JQNZAIUTPOPRCV-RDTXWAMCSA-N 2 1 342.886 3.757 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000819100817 1136908815 /nfs/dbraw/zinc/90/88/15/1136908815.db2.gz IXCOTFOXFXOAEQ-GGPKGHCWSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000819100817 1136908817 /nfs/dbraw/zinc/90/88/17/1136908817.db2.gz IXCOTFOXFXOAEQ-GGPKGHCWSA-N 2 1 344.524 3.763 20 0 EHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000858397105 1136964381 /nfs/dbraw/zinc/96/43/81/1136964381.db2.gz IZCWARIASWPKMK-IEBWSBKVSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397105 1136964384 /nfs/dbraw/zinc/96/43/84/1136964384.db2.gz IZCWARIASWPKMK-IEBWSBKVSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397105 1136964387 /nfs/dbraw/zinc/96/43/87/1136964387.db2.gz IZCWARIASWPKMK-IEBWSBKVSA-N 2 1 345.531 3.692 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820842781 1137008213 /nfs/dbraw/zinc/00/82/13/1137008213.db2.gz XQZCATVNYDMEJR-GOSISDBHSA-N 2 1 329.831 3.783 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000859995330 1137040019 /nfs/dbraw/zinc/04/00/19/1137040019.db2.gz PIFCUVMURPOHNQ-HXUWFJFHSA-N 2 1 348.437 3.582 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000823956723 1137119430 /nfs/dbraw/zinc/11/94/30/1137119430.db2.gz XEGQCNHFWMXKJO-FQEVSTJZSA-N 2 1 336.520 3.756 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143352387 1137181558 /nfs/dbraw/zinc/18/15/58/1137181558.db2.gz SRKQKPGINUACLZ-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143352387 1137181559 /nfs/dbraw/zinc/18/15/59/1137181559.db2.gz SRKQKPGINUACLZ-UHFFFAOYSA-N 2 1 332.410 3.878 20 0 EHADMP CC[C@]1([NH2+][C@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246467730 1137183077 /nfs/dbraw/zinc/18/30/77/1137183077.db2.gz ZSGPLLNACXSMJM-CJNGLKHVSA-N 2 1 325.294 3.502 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC)c2)[C@H](C)C1 ZINC000120576617 1137287283 /nfs/dbraw/zinc/28/72/83/1137287283.db2.gz TTXWPMJJZRUWGS-LQWHRVPQSA-N 2 1 348.531 3.873 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCCS3)CC2)cc1 ZINC000865725265 1137306963 /nfs/dbraw/zinc/30/69/63/1137306963.db2.gz GOMZKZYIBOLKKS-LJQANCHMSA-N 2 1 336.520 3.708 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000865783937 1137311728 /nfs/dbraw/zinc/31/17/28/1137311728.db2.gz WGDUGNMOQJIVJY-YCZSINBZSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000865783937 1137311730 /nfs/dbraw/zinc/31/17/30/1137311730.db2.gz WGDUGNMOQJIVJY-YCZSINBZSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)cc1Br ZINC001144588329 1137313607 /nfs/dbraw/zinc/31/36/07/1137313607.db2.gz NSKBBQQUPIRQOW-UHFFFAOYSA-N 2 1 343.284 3.670 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866413797 1137352717 /nfs/dbraw/zinc/35/27/17/1137352717.db2.gz WPAUEESXPVOBTP-NNMXDRDESA-N 2 1 337.511 3.760 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702297 1137374475 /nfs/dbraw/zinc/37/44/75/1137374475.db2.gz AIRMGHYXOWAWGR-GOSISDBHSA-N 2 1 333.501 3.908 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702297 1137374476 /nfs/dbraw/zinc/37/44/76/1137374476.db2.gz AIRMGHYXOWAWGR-GOSISDBHSA-N 2 1 333.501 3.908 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096482 1137439934 /nfs/dbraw/zinc/43/99/34/1137439934.db2.gz MHYCLWYLDRXJSG-YLJYHZDGSA-N 2 1 348.494 3.606 20 0 EHADMP CSc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000348133046 1137444644 /nfs/dbraw/zinc/44/46/44/1137444644.db2.gz JPITYLFRFJZLSD-QFBILLFUSA-N 2 1 341.524 3.804 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000348176972 1137450818 /nfs/dbraw/zinc/45/08/18/1137450818.db2.gz WYXSFOXZQYVDMQ-UGSOOPFHSA-N 2 1 327.453 3.626 20 0 EHADMP Cc1ncsc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624452 1137487969 /nfs/dbraw/zinc/48/79/69/1137487969.db2.gz GZSZADFCHFIINI-BZSNNMDCSA-N 2 1 327.497 3.594 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716712754 1137488657 /nfs/dbraw/zinc/48/86/57/1137488657.db2.gz NGHPZMYWMHVVSF-LWYYNNOASA-N 2 1 328.500 3.587 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505686 1137494981 /nfs/dbraw/zinc/49/49/81/1137494981.db2.gz FYWCTZILVJDVPX-AWEZNQCLSA-N 2 1 328.422 3.673 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505686 1137494982 /nfs/dbraw/zinc/49/49/82/1137494982.db2.gz FYWCTZILVJDVPX-AWEZNQCLSA-N 2 1 328.422 3.673 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC000123169800 1137496899 /nfs/dbraw/zinc/49/68/99/1137496899.db2.gz RYUYMPOVKCZVEF-UHFFFAOYSA-N 2 1 332.488 3.556 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171628888 1137499590 /nfs/dbraw/zinc/49/95/90/1137499590.db2.gz LNQNKMYXIMSQLJ-HNNXBMFYSA-N 2 1 340.508 3.664 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171628888 1137499591 /nfs/dbraw/zinc/49/95/91/1137499591.db2.gz LNQNKMYXIMSQLJ-HNNXBMFYSA-N 2 1 340.508 3.664 20 0 EHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(Cc3ccccc3F)CC2)CC1(C)C ZINC001171636896 1137504333 /nfs/dbraw/zinc/50/43/33/1137504333.db2.gz JUIPXODXJYXOMS-UHFFFAOYSA-N 2 1 347.522 3.595 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CC1(C)C ZINC001171640631 1137504622 /nfs/dbraw/zinc/50/46/22/1137504622.db2.gz HRCDHQXCQUXZIH-SFHVURJKSA-N 2 1 343.515 3.741 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CC1(C)C ZINC001171640631 1137504624 /nfs/dbraw/zinc/50/46/24/1137504624.db2.gz HRCDHQXCQUXZIH-SFHVURJKSA-N 2 1 343.515 3.741 20 0 EHADMP C[C@H]1C[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725232 1137506263 /nfs/dbraw/zinc/50/62/63/1137506263.db2.gz IAJXRBHQUOTXCA-XJKSGUPXSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]1C[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725232 1137506264 /nfs/dbraw/zinc/50/62/64/1137506264.db2.gz IAJXRBHQUOTXCA-XJKSGUPXSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@H](n2c3ccccc3c3c2C[C@@H]([NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC001171732694 1137507013 /nfs/dbraw/zinc/50/70/13/1137507013.db2.gz LGONQEGRBGDIJG-NEWSRXKRSA-N 2 1 345.490 3.903 20 0 EHADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171759089 1137509010 /nfs/dbraw/zinc/50/90/10/1137509010.db2.gz GPMDWXPWEAXYNG-HQRMLTQVSA-N 2 1 338.499 3.561 20 0 EHADMP C[C@H]1C[C@H](n2cncc2-c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC001171740961 1137511113 /nfs/dbraw/zinc/51/11/13/1137511113.db2.gz MHIZHEMSQUETSK-UWJYYQICSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742451 1137511501 /nfs/dbraw/zinc/51/15/01/1137511501.db2.gz XWMPETPMLZDGNR-BRKWEVRTSA-N 2 1 341.543 3.631 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870867724 1137513706 /nfs/dbraw/zinc/51/37/06/1137513706.db2.gz KAFVTRAWNHQCRF-RYQLBKOJSA-N 2 1 329.488 3.517 20 0 EHADMP C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962185 1137519603 /nfs/dbraw/zinc/51/96/03/1137519603.db2.gz BUHZPGLDYBMPIC-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171965752 1137520216 /nfs/dbraw/zinc/52/02/16/1137520216.db2.gz RHQXKLNIXBCVGW-BMFZPTHFSA-N 2 1 326.406 3.520 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171965752 1137520218 /nfs/dbraw/zinc/52/02/18/1137520218.db2.gz RHQXKLNIXBCVGW-BMFZPTHFSA-N 2 1 326.406 3.520 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171965752 1137520220 /nfs/dbraw/zinc/52/02/20/1137520220.db2.gz RHQXKLNIXBCVGW-BMFZPTHFSA-N 2 1 326.406 3.520 20 0 EHADMP CCC1(O)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988822 1137522651 /nfs/dbraw/zinc/52/26/51/1137522651.db2.gz VZCYXXWWUIQRGV-LJQANCHMSA-N 2 1 330.516 3.667 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]1(C)O ZINC001171975478 1137524856 /nfs/dbraw/zinc/52/48/56/1137524856.db2.gz DEYZKEKYNVKUTB-UZKOGDIHSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]1(C)O ZINC001171975478 1137524857 /nfs/dbraw/zinc/52/48/57/1137524857.db2.gz DEYZKEKYNVKUTB-UZKOGDIHSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]1(C)O ZINC001171975478 1137524858 /nfs/dbraw/zinc/52/48/58/1137524858.db2.gz DEYZKEKYNVKUTB-UZKOGDIHSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@](O)(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977361 1137525668 /nfs/dbraw/zinc/52/56/68/1137525668.db2.gz QOKGOBMVOZHNBR-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977361 1137525670 /nfs/dbraw/zinc/52/56/70/1137525670.db2.gz QOKGOBMVOZHNBR-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977361 1137525672 /nfs/dbraw/zinc/52/56/72/1137525672.db2.gz QOKGOBMVOZHNBR-PZJWPPBQSA-N 2 1 348.506 3.616 20 0 EHADMP CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983172 1137526631 /nfs/dbraw/zinc/52/66/31/1137526631.db2.gz NFTJMUSECUBWQG-VAMGGRTRSA-N 2 1 330.516 3.977 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981177 1137526639 /nfs/dbraw/zinc/52/66/39/1137526639.db2.gz ZJRUXESNWRXYTF-GOSISDBHSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981177 1137526641 /nfs/dbraw/zinc/52/66/41/1137526641.db2.gz ZJRUXESNWRXYTF-GOSISDBHSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988533 1137527724 /nfs/dbraw/zinc/52/77/24/1137527724.db2.gz SWVMXZGYJSSYOV-UXHICEINSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988533 1137527725 /nfs/dbraw/zinc/52/77/25/1137527725.db2.gz SWVMXZGYJSSYOV-UXHICEINSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988533 1137527727 /nfs/dbraw/zinc/52/77/27/1137527727.db2.gz SWVMXZGYJSSYOV-UXHICEINSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988533 1137527728 /nfs/dbraw/zinc/52/77/28/1137527728.db2.gz SWVMXZGYJSSYOV-UXHICEINSA-N 2 1 330.516 3.786 20 0 EHADMP CC[NH+](CC)[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988490 1137528088 /nfs/dbraw/zinc/52/80/88/1137528088.db2.gz RVTQEOJEBKKDKR-LEWJYISDSA-N 2 1 343.559 3.846 20 0 EHADMP C[N@H+]1CCC[C@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172071766 1137529739 /nfs/dbraw/zinc/52/97/39/1137529739.db2.gz YRNWYMYQPCMZDW-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071766 1137529740 /nfs/dbraw/zinc/52/97/40/1137529740.db2.gz YRNWYMYQPCMZDW-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071766 1137529743 /nfs/dbraw/zinc/52/97/43/1137529743.db2.gz YRNWYMYQPCMZDW-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172071766 1137529744 /nfs/dbraw/zinc/52/97/44/1137529744.db2.gz YRNWYMYQPCMZDW-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172071766 1137529746 /nfs/dbraw/zinc/52/97/46/1137529746.db2.gz YRNWYMYQPCMZDW-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072351 1137529892 /nfs/dbraw/zinc/52/98/92/1137529892.db2.gz LFQQQJIFRDFEAN-RZXSNQJFSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072351 1137529893 /nfs/dbraw/zinc/52/98/93/1137529893.db2.gz LFQQQJIFRDFEAN-RZXSNQJFSA-N 2 1 338.499 3.656 20 0 EHADMP C[N@@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001172090686 1137532221 /nfs/dbraw/zinc/53/22/21/1137532221.db2.gz WBKDTTBLHFNVFM-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001172090686 1137532223 /nfs/dbraw/zinc/53/22/23/1137532223.db2.gz WBKDTTBLHFNVFM-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001172090686 1137532225 /nfs/dbraw/zinc/53/22/25/1137532225.db2.gz WBKDTTBLHFNVFM-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001172090686 1137532226 /nfs/dbraw/zinc/53/22/26/1137532226.db2.gz WBKDTTBLHFNVFM-JSXRDJHFSA-N 2 1 328.500 3.683 20 0 EHADMP CCOC(=O)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065562 1137533713 /nfs/dbraw/zinc/53/37/13/1137533713.db2.gz OAYWEYDRJKCUQH-ACDBMABISA-N 2 1 344.499 3.505 20 0 EHADMP C[C@@]1(O)CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067239 1137533730 /nfs/dbraw/zinc/53/37/30/1137533730.db2.gz LYDNJSOCXCTAGT-UZBCKPFNSA-N 2 1 342.527 3.855 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001172065418 1137533778 /nfs/dbraw/zinc/53/37/78/1137533778.db2.gz MNFBPYNNUXPEOS-YRPNKDGESA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068432 1137534248 /nfs/dbraw/zinc/53/42/48/1137534248.db2.gz ICMKTMVIZSTYEJ-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068432 1137534250 /nfs/dbraw/zinc/53/42/50/1137534250.db2.gz ICMKTMVIZSTYEJ-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068432 1137534252 /nfs/dbraw/zinc/53/42/52/1137534252.db2.gz ICMKTMVIZSTYEJ-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068432 1137534254 /nfs/dbraw/zinc/53/42/54/1137534254.db2.gz ICMKTMVIZSTYEJ-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP COC(=O)CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067620 1137534512 /nfs/dbraw/zinc/53/45/12/1137534512.db2.gz QSCZIZPOLKMSMK-ACDBMABISA-N 2 1 344.499 3.505 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127525 1137535169 /nfs/dbraw/zinc/53/51/69/1137535169.db2.gz JFULAIVDVWGISK-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127525 1137535170 /nfs/dbraw/zinc/53/51/70/1137535170.db2.gz JFULAIVDVWGISK-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172127525 1137535172 /nfs/dbraw/zinc/53/51/72/1137535172.db2.gz JFULAIVDVWGISK-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172127525 1137535173 /nfs/dbraw/zinc/53/51/73/1137535173.db2.gz JFULAIVDVWGISK-UWHLTILDSA-N 2 1 342.527 3.965 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128900 1137535311 /nfs/dbraw/zinc/53/53/11/1137535311.db2.gz VNTHOBUIDBBOHD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128900 1137535312 /nfs/dbraw/zinc/53/53/12/1137535312.db2.gz VNTHOBUIDBBOHD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128900 1137535313 /nfs/dbraw/zinc/53/53/13/1137535313.db2.gz VNTHOBUIDBBOHD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](OCc3ccccc3)C1)C2 ZINC001172128900 1137535314 /nfs/dbraw/zinc/53/53/14/1137535314.db2.gz VNTHOBUIDBBOHD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP CN([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172132509 1137536080 /nfs/dbraw/zinc/53/60/80/1137536080.db2.gz LYBDJCQPZBNDGY-LNRXMEIDSA-N 2 1 341.543 3.598 20 0 EHADMP CN([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001172132509 1137536082 /nfs/dbraw/zinc/53/60/82/1137536082.db2.gz LYBDJCQPZBNDGY-LNRXMEIDSA-N 2 1 341.543 3.598 20 0 EHADMP COc1cccc(CC(C)(C)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108937 1137536815 /nfs/dbraw/zinc/53/68/15/1137536815.db2.gz AKAQTNDAUKIOHN-REPLKXPHSA-N 2 1 330.516 3.869 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001172107012 1137536960 /nfs/dbraw/zinc/53/69/60/1137536960.db2.gz SFNSGMUUKQXRET-QKDCVEJESA-N 2 1 342.405 3.819 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC001172108106 1137537314 /nfs/dbraw/zinc/53/73/14/1137537314.db2.gz PROBUIHRZWOFKD-ZKTXZKFHSA-N 2 1 338.499 3.594 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001172113902 1137537669 /nfs/dbraw/zinc/53/76/69/1137537669.db2.gz KNGNNEPLYSZWAY-CADBVGFASA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001172113902 1137537671 /nfs/dbraw/zinc/53/76/71/1137537671.db2.gz KNGNNEPLYSZWAY-CADBVGFASA-N 2 1 347.934 3.519 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172342806 1137552637 /nfs/dbraw/zinc/55/26/37/1137552637.db2.gz NWCQIMUXPFHJMY-JYAXBFRTSA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172342806 1137552638 /nfs/dbraw/zinc/55/26/38/1137552638.db2.gz NWCQIMUXPFHJMY-JYAXBFRTSA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172342806 1137552640 /nfs/dbraw/zinc/55/26/40/1137552640.db2.gz NWCQIMUXPFHJMY-JYAXBFRTSA-N 2 1 330.516 3.644 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc(O)ccc1F ZINC000872019523 1137564970 /nfs/dbraw/zinc/56/49/70/1137564970.db2.gz WNYWDDFKMRSOKK-OAHLLOKOSA-N 2 1 328.431 3.978 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCOC1 ZINC000872090667 1137570715 /nfs/dbraw/zinc/57/07/15/1137570715.db2.gz DRGGZFSTDJPJMU-PMXSJFBMSA-N 2 1 330.516 3.549 20 0 EHADMP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000872104644 1137571386 /nfs/dbraw/zinc/57/13/86/1137571386.db2.gz LOMOEFLOKOVYCO-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP COCC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000872104644 1137571387 /nfs/dbraw/zinc/57/13/87/1137571387.db2.gz LOMOEFLOKOVYCO-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4oc(=O)[nH]c4c3)CC2)C1 ZINC000872123921 1137572814 /nfs/dbraw/zinc/57/28/14/1137572814.db2.gz XYLFQYHBNVIONH-YOEHRIQHSA-N 2 1 343.471 3.666 20 0 EHADMP Cc1cc(-c2noc([C@H](C)[N@@H+](C)CCCCCC[NH3+])n2)ccc1F ZINC000872155847 1137573998 /nfs/dbraw/zinc/57/39/98/1137573998.db2.gz YHQUPNIKCZPXEA-AWEZNQCLSA-N 2 1 334.439 3.696 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872149212 1137574075 /nfs/dbraw/zinc/57/40/75/1137574075.db2.gz MJJWMURJBYLLJI-AEFFLSMTSA-N 2 1 336.401 3.841 20 0 EHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1)C1CCCC1 ZINC000872156047 1137574327 /nfs/dbraw/zinc/57/43/27/1137574327.db2.gz DCSJATDQROSGPN-GDBMZVCRSA-N 2 1 336.442 3.575 20 0 EHADMP Clc1nccc2oc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc21 ZINC000876576584 1137656015 /nfs/dbraw/zinc/65/60/15/1137656015.db2.gz MCKOIIQIXQTDQZ-UHFFFAOYSA-N 2 1 333.863 3.789 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877087948 1137670018 /nfs/dbraw/zinc/67/00/18/1137670018.db2.gz XQILFBNMRBGMBN-XERREHJYSA-N 2 1 338.499 3.607 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877087948 1137670019 /nfs/dbraw/zinc/67/00/19/1137670019.db2.gz XQILFBNMRBGMBN-XERREHJYSA-N 2 1 338.499 3.607 20 0 EHADMP Cc1sc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000877533051 1137680175 /nfs/dbraw/zinc/68/01/75/1137680175.db2.gz YRSUIEYAAUZDDV-HZMBPMFUSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000877533051 1137680176 /nfs/dbraw/zinc/68/01/76/1137680176.db2.gz YRSUIEYAAUZDDV-HZMBPMFUSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000877533051 1137680177 /nfs/dbraw/zinc/68/01/77/1137680177.db2.gz YRSUIEYAAUZDDV-HZMBPMFUSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000877533051 1137680178 /nfs/dbraw/zinc/68/01/78/1137680178.db2.gz YRSUIEYAAUZDDV-HZMBPMFUSA-N 2 1 331.323 3.591 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878159423 1137704953 /nfs/dbraw/zinc/70/49/53/1137704953.db2.gz LQYZKMRCTCCQSH-TYPHKJRUSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878159423 1137704954 /nfs/dbraw/zinc/70/49/54/1137704954.db2.gz LQYZKMRCTCCQSH-TYPHKJRUSA-N 2 1 330.516 3.961 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878159423 1137704955 /nfs/dbraw/zinc/70/49/55/1137704955.db2.gz LQYZKMRCTCCQSH-TYPHKJRUSA-N 2 1 330.516 3.961 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879674608 1137754768 /nfs/dbraw/zinc/75/47/68/1137754768.db2.gz NVTGUKWLVINFET-FQEVSTJZSA-N 2 1 326.488 3.758 20 0 EHADMP Cc1cccc2c(CN3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)[nH]nc21 ZINC001137149541 1137766566 /nfs/dbraw/zinc/76/65/66/1137766566.db2.gz XNAYQAHJHKZDLO-DLBZAZTESA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)[nH]nc21 ZINC001137149541 1137766567 /nfs/dbraw/zinc/76/65/67/1137766567.db2.gz XNAYQAHJHKZDLO-DLBZAZTESA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)[nH]nc21 ZINC001137149541 1137766568 /nfs/dbraw/zinc/76/65/68/1137766568.db2.gz XNAYQAHJHKZDLO-DLBZAZTESA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)[nH]nc21 ZINC001137149541 1137766569 /nfs/dbraw/zinc/76/65/69/1137766569.db2.gz XNAYQAHJHKZDLO-DLBZAZTESA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)[nH]nc21 ZINC001137149541 1137766570 /nfs/dbraw/zinc/76/65/70/1137766570.db2.gz XNAYQAHJHKZDLO-DLBZAZTESA-N 2 1 326.488 3.710 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880276407 1137772801 /nfs/dbraw/zinc/77/28/01/1137772801.db2.gz HAIFHNXXKFSWOW-SFHVURJKSA-N 2 1 349.482 3.622 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880276407 1137772802 /nfs/dbraw/zinc/77/28/02/1137772802.db2.gz HAIFHNXXKFSWOW-SFHVURJKSA-N 2 1 349.482 3.622 20 0 EHADMP CS[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000128445330 1137779881 /nfs/dbraw/zinc/77/98/81/1137779881.db2.gz ATLQMDWLSDYHAM-OALUTQOASA-N 2 1 336.520 3.706 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(Cl)c1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883083842 1137843965 /nfs/dbraw/zinc/84/39/65/1137843965.db2.gz AGACWIBUYCZLPE-MAUKXSAKSA-N 2 1 343.902 3.922 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176308 1137847373 /nfs/dbraw/zinc/84/73/73/1137847373.db2.gz ZYRDCSPYTOCCOS-OXJNMPFZSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239015 1137850041 /nfs/dbraw/zinc/85/00/41/1137850041.db2.gz TYVWPGXWNUFWCJ-UZLBHIALSA-N 2 1 334.479 3.615 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000883351939 1137857051 /nfs/dbraw/zinc/85/70/51/1137857051.db2.gz OVIGWLVPTDNYGV-GHTZIAJQSA-N 2 1 348.506 3.627 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348229454 1137869442 /nfs/dbraw/zinc/86/94/42/1137869442.db2.gz RYOMJFOWLMMAST-AOIWGVFYSA-N 2 1 339.483 3.651 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348229454 1137869443 /nfs/dbraw/zinc/86/94/43/1137869443.db2.gz RYOMJFOWLMMAST-AOIWGVFYSA-N 2 1 339.483 3.651 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)CCCC2)CC1 ZINC000348238843 1137872211 /nfs/dbraw/zinc/87/22/11/1137872211.db2.gz GDKKKQGWJRCCHN-TZIWHRDSSA-N 2 1 342.527 3.803 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886556655 1138095770 /nfs/dbraw/zinc/09/57/70/1138095770.db2.gz HESRXKMIVBJJJG-NNWRFLSQSA-N 2 1 335.495 3.575 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000886594494 1138100338 /nfs/dbraw/zinc/10/03/38/1138100338.db2.gz NYIAFSBOUSUIPK-MRXNPFEDSA-N 2 1 328.847 3.765 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886614526 1138102218 /nfs/dbraw/zinc/10/22/18/1138102218.db2.gz ZUNBZRZOLMOFDV-OTWHNJEPSA-N 2 1 339.483 3.688 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886614526 1138102219 /nfs/dbraw/zinc/10/22/19/1138102219.db2.gz ZUNBZRZOLMOFDV-OTWHNJEPSA-N 2 1 339.483 3.688 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886623288 1138103403 /nfs/dbraw/zinc/10/34/03/1138103403.db2.gz AEQRRNXPBMUYKK-BURNTYAHSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc(C)n1 ZINC000886626435 1138103737 /nfs/dbraw/zinc/10/37/37/1138103737.db2.gz BLRUYXVLVVAYBK-BDTNDASRSA-N 2 1 335.495 3.841 20 0 EHADMP Cc1csc(C[C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000886857855 1138159099 /nfs/dbraw/zinc/15/90/99/1138159099.db2.gz CPCFFRLJSKEEMJ-MRXNPFEDSA-N 2 1 341.524 3.552 20 0 EHADMP Clc1ccncc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001137235128 1138183265 /nfs/dbraw/zinc/18/32/65/1138183265.db2.gz CSCIHCGBNNLAQC-UHFFFAOYSA-N 2 1 345.874 3.816 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089515526 1138200479 /nfs/dbraw/zinc/20/04/79/1138200479.db2.gz UAFKZODMZLAYMN-BRWVUGGUSA-N 2 1 334.529 3.640 20 0 EHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2nccs2)cc1 ZINC000093398779 1138237488 /nfs/dbraw/zinc/23/74/88/1138237488.db2.gz AEVGODZUKIJHBH-OAHLLOKOSA-N 2 1 333.501 3.715 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000093644690 1138239345 /nfs/dbraw/zinc/23/93/45/1138239345.db2.gz DMCUUERDBKFDRG-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644690 1138239346 /nfs/dbraw/zinc/23/93/46/1138239346.db2.gz DMCUUERDBKFDRG-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644690 1138239347 /nfs/dbraw/zinc/23/93/47/1138239347.db2.gz DMCUUERDBKFDRG-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP Cc1nc(CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cs1 ZINC000125106481 1138300991 /nfs/dbraw/zinc/30/09/91/1138300991.db2.gz ASEDOUAQTISIJF-OXQOHEQNSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1nc(CCN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000125106481 1138300994 /nfs/dbraw/zinc/30/09/94/1138300994.db2.gz ASEDOUAQTISIJF-OXQOHEQNSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1nc(CCN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000125106481 1138300998 /nfs/dbraw/zinc/30/09/98/1138300998.db2.gz ASEDOUAQTISIJF-OXQOHEQNSA-N 2 1 343.540 3.979 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CCN1C ZINC000130577265 1138462959 /nfs/dbraw/zinc/46/29/59/1138462959.db2.gz GYVUZOIJGYKWJG-RHSMWYFYSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000337246433 1138507192 /nfs/dbraw/zinc/50/71/92/1138507192.db2.gz JPBKKLGALGJYLL-MJBXVCDLSA-N 2 1 337.895 3.601 20 0 EHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000337246433 1138507197 /nfs/dbraw/zinc/50/71/97/1138507197.db2.gz JPBKKLGALGJYLL-MJBXVCDLSA-N 2 1 337.895 3.601 20 0 EHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000337246431 1138507307 /nfs/dbraw/zinc/50/73/07/1138507307.db2.gz JPBKKLGALGJYLL-MGPQQGTHSA-N 2 1 337.895 3.601 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1C ZINC000337387218 1138553332 /nfs/dbraw/zinc/55/33/32/1138553332.db2.gz IPPIUANTYGBVSO-SFHVURJKSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000264651895 1138591403 /nfs/dbraw/zinc/59/14/03/1138591403.db2.gz XHDXVAYTCDLFPH-AWEZNQCLSA-N 2 1 333.501 3.633 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337764631 1138662646 /nfs/dbraw/zinc/66/26/46/1138662646.db2.gz RMQLMQVYTRDPTP-INIZCTEOSA-N 2 1 330.394 3.535 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000337950377 1138706088 /nfs/dbraw/zinc/70/60/88/1138706088.db2.gz FKGUTYWVLZTCFU-UHFFFAOYSA-N 2 1 333.863 3.814 20 0 EHADMP CC1CC[NH+](CCC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000338133383 1138761122 /nfs/dbraw/zinc/76/11/22/1138761122.db2.gz IJMRNAZHBIUQJG-UHFFFAOYSA-N 2 1 346.906 3.737 20 0 EHADMP COCc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000174312840 1139413318 /nfs/dbraw/zinc/41/33/18/1139413318.db2.gz BSFGCNJFOBMOMD-UHFFFAOYSA-N 2 1 326.484 3.963 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1SC ZINC000178704268 1139712967 /nfs/dbraw/zinc/71/29/67/1139712967.db2.gz JZOHKEQJHWHGMH-ZIAGYGMSSA-N 2 1 333.501 3.909 20 0 EHADMP CC(C)[NH2+]C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179835776 1139788090 /nfs/dbraw/zinc/78/80/90/1139788090.db2.gz VFHXJVHCVXXOGS-UHFFFAOYSA-N 2 1 331.548 3.607 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000180990412 1139877070 /nfs/dbraw/zinc/87/70/70/1139877070.db2.gz QLETZJLIFGPYDM-FQEVSTJZSA-N 2 1 340.471 3.526 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C)cc1 ZINC000182270577 1139962189 /nfs/dbraw/zinc/96/21/89/1139962189.db2.gz MATIZXAERIEDPM-VXKWHMMOSA-N 2 1 338.495 3.803 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183246521 1140023684 /nfs/dbraw/zinc/02/36/84/1140023684.db2.gz ZNVQXMWRCIMANO-IBGZPJMESA-N 2 1 326.488 3.501 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183246521 1140023689 /nfs/dbraw/zinc/02/36/89/1140023689.db2.gz ZNVQXMWRCIMANO-IBGZPJMESA-N 2 1 326.488 3.501 20 0 EHADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183819983 1140059826 /nfs/dbraw/zinc/05/98/26/1140059826.db2.gz MUCFCMGNIVYQFT-KRWDZBQOSA-N 2 1 348.490 3.847 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763936 1140168662 /nfs/dbraw/zinc/16/86/62/1140168662.db2.gz LRXHTFVAYWJLJR-GMBSWORKSA-N 2 1 336.907 3.616 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000186999599 1140232272 /nfs/dbraw/zinc/23/22/72/1140232272.db2.gz JTNHTYYSCVCOCH-JOCHJYFZSA-N 2 1 343.559 3.844 20 0 EHADMP Fc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ncc[nH]2)cc1 ZINC000188007087 1140279457 /nfs/dbraw/zinc/27/94/57/1140279457.db2.gz WNZQVVHZTNSIGF-LJQANCHMSA-N 2 1 344.478 3.884 20 0 EHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191502668 1140468603 /nfs/dbraw/zinc/46/86/03/1140468603.db2.gz MRZFLONRXDAULW-NHCUHLMSSA-N 2 1 343.559 3.589 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(F)cccc1Br ZINC000192462357 1140534420 /nfs/dbraw/zinc/53/44/20/1140534420.db2.gz UKWIMOQGMNMJOG-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000195449775 1140639109 /nfs/dbraw/zinc/63/91/09/1140639109.db2.gz CACCESZGKMQSSM-IBGZPJMESA-N 2 1 344.886 3.505 20 0 EHADMP Cc1nc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000268757517 1140984641 /nfs/dbraw/zinc/98/46/41/1140984641.db2.gz KBKIZLBKWBUFDE-ZDUSSCGKSA-N 2 1 326.469 3.839 20 0 EHADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000268852341 1141009098 /nfs/dbraw/zinc/00/90/98/1141009098.db2.gz QBBKVEIOJBPUCU-JOCHJYFZSA-N 2 1 338.495 3.671 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OCC ZINC000268857001 1141009910 /nfs/dbraw/zinc/00/99/10/1141009910.db2.gz LRAMVWYZRJXBRB-OAHLLOKOSA-N 2 1 331.460 3.730 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268888943 1141017176 /nfs/dbraw/zinc/01/71/76/1141017176.db2.gz ZLHMWOXBZHQSHP-FGSXEWAUSA-N 2 1 338.495 3.740 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268883924 1141017825 /nfs/dbraw/zinc/01/78/25/1141017825.db2.gz XIZNIBXXIMMRBS-SJLPKXTDSA-N 2 1 343.540 3.891 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268883924 1141017833 /nfs/dbraw/zinc/01/78/33/1141017833.db2.gz XIZNIBXXIMMRBS-SJLPKXTDSA-N 2 1 343.540 3.891 20 0 EHADMP CCC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)cc1 ZINC000268901262 1141021489 /nfs/dbraw/zinc/02/14/89/1141021489.db2.gz RAXRQUUVMYRQFW-HXUWFJFHSA-N 2 1 346.515 3.771 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH2+]C)c2)cc1 ZINC000269125887 1141069405 /nfs/dbraw/zinc/06/94/05/1141069405.db2.gz DYWWBAPGQMJXIZ-UHFFFAOYSA-N 2 1 339.483 3.890 20 0 EHADMP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698313 1141136613 /nfs/dbraw/zinc/13/66/13/1141136613.db2.gz XUSPBSREHCHNNW-DYESRHJHSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698313 1141136616 /nfs/dbraw/zinc/13/66/16/1141136616.db2.gz XUSPBSREHCHNNW-DYESRHJHSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698313 1141136617 /nfs/dbraw/zinc/13/66/17/1141136617.db2.gz XUSPBSREHCHNNW-DYESRHJHSA-N 2 1 337.467 3.790 20 0 EHADMP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)onc1-c1ccccc1 ZINC000269698313 1141136619 /nfs/dbraw/zinc/13/66/19/1141136619.db2.gz XUSPBSREHCHNNW-DYESRHJHSA-N 2 1 337.467 3.790 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000270695810 1141257790 /nfs/dbraw/zinc/25/77/90/1141257790.db2.gz WZAURUZOLFQVMD-PMACEKPBSA-N 2 1 330.516 3.834 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCc3nccs3)CC2)cc1 ZINC000271549561 1141394503 /nfs/dbraw/zinc/39/45/03/1141394503.db2.gz VNEBPZZOFLXVEC-UHFFFAOYSA-N 2 1 347.503 3.512 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000273910398 1141445458 /nfs/dbraw/zinc/44/54/58/1141445458.db2.gz CNEQDMVLSXZSAU-GIVPXCGWSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000273910398 1141445461 /nfs/dbraw/zinc/44/54/61/1141445461.db2.gz CNEQDMVLSXZSAU-GIVPXCGWSA-N 2 1 330.516 3.836 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000339182393 1141520247 /nfs/dbraw/zinc/52/02/47/1141520247.db2.gz IQMBOEVTRDPGFO-INIZCTEOSA-N 2 1 327.472 3.901 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000339182393 1141520252 /nfs/dbraw/zinc/52/02/52/1141520252.db2.gz IQMBOEVTRDPGFO-INIZCTEOSA-N 2 1 327.472 3.901 20 0 EHADMP c1[nH]nc2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631582 1141557836 /nfs/dbraw/zinc/55/78/36/1141557836.db2.gz DWDAPLKKQWDMTC-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631582 1141557837 /nfs/dbraw/zinc/55/78/37/1141557837.db2.gz DWDAPLKKQWDMTC-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631582 1141557838 /nfs/dbraw/zinc/55/78/38/1141557838.db2.gz DWDAPLKKQWDMTC-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631582 1141557839 /nfs/dbraw/zinc/55/78/39/1141557839.db2.gz DWDAPLKKQWDMTC-QFIPXVFZSA-N 2 1 346.478 3.661 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000283267850 1141581449 /nfs/dbraw/zinc/58/14/49/1141581449.db2.gz LALKYIRRGHCRRU-GHTZIAJQSA-N 2 1 347.522 3.625 20 0 EHADMP CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349001158 1141620561 /nfs/dbraw/zinc/62/05/61/1141620561.db2.gz GXCDSPIAWIXWAV-UHFFFAOYSA-N 2 1 338.455 3.753 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000035010337 213004380 /nfs/dbraw/zinc/00/43/80/213004380.db2.gz BKALWEUGQRWECH-INIZCTEOSA-N 2 1 325.294 3.974 20 0 EHADMP CCc1noc(C)c1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328606756 258040225 /nfs/dbraw/zinc/04/02/25/258040225.db2.gz SVFOWHCQPVSSSI-SFHVURJKSA-N 2 1 345.512 3.751 20 0 EHADMP CCc1noc(C)c1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328606756 258040226 /nfs/dbraw/zinc/04/02/26/258040226.db2.gz SVFOWHCQPVSSSI-SFHVURJKSA-N 2 1 345.512 3.751 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc1 ZINC001164637882 719251230 /nfs/dbraw/zinc/25/12/30/719251230.db2.gz XCJBIJNAMXEZMU-JENIJYKNSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1 ZINC001164637882 719251232 /nfs/dbraw/zinc/25/12/32/719251232.db2.gz XCJBIJNAMXEZMU-JENIJYKNSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1 ZINC001164637882 719251234 /nfs/dbraw/zinc/25/12/34/719251234.db2.gz XCJBIJNAMXEZMU-JENIJYKNSA-N 2 1 330.520 3.547 20 0 EHADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305772412 1125463168 /nfs/dbraw/zinc/46/31/68/1125463168.db2.gz SVQZYAKZGJZEQB-FFZOFVMBSA-N 2 1 346.515 3.504 20 0 EHADMP CCOc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537971572 1032071072 /nfs/dbraw/zinc/07/10/72/1032071072.db2.gz WXSCVOMOQNWXBS-KSZLIROESA-N 2 1 334.504 3.625 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cnc(CCc3ccccc3)s2)CC[N@H+]1C ZINC000449032077 1032071894 /nfs/dbraw/zinc/07/18/94/1032071894.db2.gz WOQBZJQPTKJMGL-AEFFLSMTSA-N 2 1 343.540 3.843 20 0 EHADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537971703 1032072276 /nfs/dbraw/zinc/07/22/76/1032072276.db2.gz CNPVTCILGXXYIK-KNQAVFIVSA-N 2 1 338.495 3.874 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000153413181 1125483974 /nfs/dbraw/zinc/48/39/74/1125483974.db2.gz UKBRVKOQKHEFGH-QYZOEREBSA-N 2 1 349.588 3.841 20 0 EHADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537971703 1032072287 /nfs/dbraw/zinc/07/22/87/1032072287.db2.gz CNPVTCILGXXYIK-KNQAVFIVSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000537973344 1032073739 /nfs/dbraw/zinc/07/37/39/1032073739.db2.gz HCUKFMJGYTVELZ-KNQAVFIVSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000537973344 1032073755 /nfs/dbraw/zinc/07/37/55/1032073755.db2.gz HCUKFMJGYTVELZ-KNQAVFIVSA-N 2 1 338.495 3.874 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643547294 1014505639 /nfs/dbraw/zinc/50/56/39/1014505639.db2.gz CLLFCBQKUQSTNB-KBWCOIMZSA-N 3 1 341.543 3.694 20 0 EHADMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Br ZINC000536681266 1032095652 /nfs/dbraw/zinc/09/56/52/1032095652.db2.gz GXLXYNGESXLONP-NWDGAFQWSA-N 2 1 331.323 3.734 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)sc1Br ZINC000536681266 1032095664 /nfs/dbraw/zinc/09/56/64/1032095664.db2.gz GXLXYNGESXLONP-NWDGAFQWSA-N 2 1 331.323 3.734 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)sc1Br ZINC000536681266 1032095672 /nfs/dbraw/zinc/09/56/72/1032095672.db2.gz GXLXYNGESXLONP-NWDGAFQWSA-N 2 1 331.323 3.734 20 0 EHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772203 1014961319 /nfs/dbraw/zinc/96/13/19/1014961319.db2.gz ZDPLOQTXNMRVBX-JQWIXIFHSA-N 2 1 336.785 3.798 20 0 EHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001206772203 1014961333 /nfs/dbraw/zinc/96/13/33/1014961333.db2.gz ZDPLOQTXNMRVBX-JQWIXIFHSA-N 2 1 336.785 3.798 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047114 1032120270 /nfs/dbraw/zinc/12/02/70/1032120270.db2.gz MZRZTZMMAOKTFE-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047114 1032120274 /nfs/dbraw/zinc/12/02/74/1032120274.db2.gz MZRZTZMMAOKTFE-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047114 1032120277 /nfs/dbraw/zinc/12/02/77/1032120277.db2.gz MZRZTZMMAOKTFE-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000449047114 1032120282 /nfs/dbraw/zinc/12/02/82/1032120282.db2.gz MZRZTZMMAOKTFE-KDOFPFPSSA-N 2 1 345.487 3.865 20 0 EHADMP C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949018 1015668348 /nfs/dbraw/zinc/66/83/48/1015668348.db2.gz UXRVKJMYIYZVAX-IEBWSBKVSA-N 2 1 343.559 3.796 20 0 EHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274949018 1015668353 /nfs/dbraw/zinc/66/83/53/1015668353.db2.gz UXRVKJMYIYZVAX-IEBWSBKVSA-N 3 1 343.559 3.796 20 0 EHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949018 1015668358 /nfs/dbraw/zinc/66/83/58/1015668358.db2.gz UXRVKJMYIYZVAX-IEBWSBKVSA-N 3 1 343.559 3.796 20 0 EHADMP Brc1ccccc1C[C@@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000339799879 1015689705 /nfs/dbraw/zinc/68/97/05/1015689705.db2.gz ZILAVRBODFMQEL-INIZCTEOSA-N 2 1 348.288 3.743 20 0 EHADMP CC(=O)OC(C)(C)CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209148895 1015851175 /nfs/dbraw/zinc/85/11/75/1015851175.db2.gz ODWVCYCEYYOUOV-UHFFFAOYSA-N 2 1 346.515 3.705 20 0 EHADMP CC(=O)OC(C)(C)CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209148895 1015851178 /nfs/dbraw/zinc/85/11/78/1015851178.db2.gz ODWVCYCEYYOUOV-UHFFFAOYSA-N 2 1 346.515 3.705 20 0 EHADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904576729 1032141677 /nfs/dbraw/zinc/14/16/77/1032141677.db2.gz KXOLTVKKTGDETC-RHSMWYFYSA-N 2 1 328.460 3.768 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cs1 ZINC000348121927 1016290489 /nfs/dbraw/zinc/29/04/89/1016290489.db2.gz SJLACGHMHFTBRC-MSOLQXFVSA-N 2 1 333.545 3.696 20 0 EHADMP Fc1cncc(F)c1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279407993 1016640263 /nfs/dbraw/zinc/64/02/63/1016640263.db2.gz RVKNMCRBYGWPDF-UHFFFAOYSA-N 2 1 335.442 3.590 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340250922 1016783062 /nfs/dbraw/zinc/78/30/62/1016783062.db2.gz QBSILMCSTBTQBZ-MSOLQXFVSA-N 2 1 332.488 3.533 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340250922 1016783085 /nfs/dbraw/zinc/78/30/85/1016783085.db2.gz QBSILMCSTBTQBZ-MSOLQXFVSA-N 2 1 332.488 3.533 20 0 EHADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000449074566 1032164012 /nfs/dbraw/zinc/16/40/12/1032164012.db2.gz PSURBBBUXPNOEE-KURKYZTESA-N 2 1 342.483 3.610 20 0 EHADMP C[N@@H+]1C[C@H]2CN(C/C=C\c3ccc(OCc4ccccc4)cc3)C[C@H]2C1 ZINC000459500226 1032201060 /nfs/dbraw/zinc/20/10/60/1032201060.db2.gz AGUKUUXJJCYFQT-LURDWPDGSA-N 2 1 348.490 3.772 20 0 EHADMP C[N@H+]1C[C@@H]2C[NH+](C/C=C\c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500226 1032201068 /nfs/dbraw/zinc/20/10/68/1032201068.db2.gz AGUKUUXJJCYFQT-LURDWPDGSA-N 2 1 348.490 3.772 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](C/C=C\c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500226 1032201072 /nfs/dbraw/zinc/20/10/72/1032201072.db2.gz AGUKUUXJJCYFQT-LURDWPDGSA-N 2 1 348.490 3.772 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](C/C=C\c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500226 1032201076 /nfs/dbraw/zinc/20/10/76/1032201076.db2.gz AGUKUUXJJCYFQT-LURDWPDGSA-N 2 1 348.490 3.772 20 0 EHADMP C[NH+]1C[C@@H]2C[N@H+](C/C=C\c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500226 1032201080 /nfs/dbraw/zinc/20/10/80/1032201080.db2.gz AGUKUUXJJCYFQT-LURDWPDGSA-N 2 1 348.490 3.772 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643262 1032218660 /nfs/dbraw/zinc/21/86/60/1032218660.db2.gz FRNHYTJPPYKVEG-LVOPCWDJSA-N 2 1 335.495 3.774 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528402189 1032230815 /nfs/dbraw/zinc/23/08/15/1032230815.db2.gz DFWQDYVZFBBKMG-KRWDZBQOSA-N 2 1 348.506 3.795 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449173995 1032267250 /nfs/dbraw/zinc/26/72/50/1032267250.db2.gz OWDIFUXKELHFRR-FRRDWIJNSA-N 2 1 331.287 3.833 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449173995 1032267264 /nfs/dbraw/zinc/26/72/64/1032267264.db2.gz OWDIFUXKELHFRR-FRRDWIJNSA-N 2 1 331.287 3.833 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924660437 1032275209 /nfs/dbraw/zinc/27/52/09/1032275209.db2.gz YSCCKZLQVLRRAG-SFTDATJTSA-N 2 1 330.516 3.822 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(CO)ccc2F)cc1 ZINC000528440053 1032300804 /nfs/dbraw/zinc/30/08/04/1032300804.db2.gz SUPKUJHZAGCQCL-CQSZACIVSA-N 2 1 339.414 3.663 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000536827477 1032306768 /nfs/dbraw/zinc/30/67/68/1032306768.db2.gz PFENDIOVCBBQBM-WSTZPKSXSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](NCc1cc2cccnc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223151 1032339421 /nfs/dbraw/zinc/33/94/21/1032339421.db2.gz FBYPICILOPIDBZ-QFBILLFUSA-N 2 1 335.451 3.828 20 0 EHADMP C[C@H]([NH2+]Cc1cc2cccnc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223151 1032339443 /nfs/dbraw/zinc/33/94/43/1032339443.db2.gz FBYPICILOPIDBZ-QFBILLFUSA-N 2 1 335.451 3.828 20 0 EHADMP CC[C@@](O)(C[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)C(F)(F)F ZINC000905122256 1032351258 /nfs/dbraw/zinc/35/12/58/1032351258.db2.gz LJTRIFGWSPOWJX-WMLDXEAASA-N 2 1 344.421 3.505 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)cc(C)n2)CC1)CC(C)C ZINC000536887845 1032394253 /nfs/dbraw/zinc/39/42/53/1032394253.db2.gz CRFYLCDDBTXTLE-UHFFFAOYSA-N 2 1 347.547 3.979 20 0 EHADMP Cc1cccc(CC[NH+]2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000449265197 1032411529 /nfs/dbraw/zinc/41/15/29/1032411529.db2.gz PCPHWHGHGXUKPD-JOCHJYFZSA-N 2 1 337.511 3.919 20 0 EHADMP Cc1cccc(CC[NH+]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)c1 ZINC000449265197 1032411536 /nfs/dbraw/zinc/41/15/36/1032411536.db2.gz PCPHWHGHGXUKPD-JOCHJYFZSA-N 2 1 337.511 3.919 20 0 EHADMP Cc1cccc(CC[N@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000449265197 1032411539 /nfs/dbraw/zinc/41/15/39/1032411539.db2.gz PCPHWHGHGXUKPD-JOCHJYFZSA-N 2 1 337.511 3.919 20 0 EHADMP Cc1cccc(CC[N@@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000449265197 1032411546 /nfs/dbraw/zinc/41/15/46/1032411546.db2.gz PCPHWHGHGXUKPD-JOCHJYFZSA-N 2 1 337.511 3.919 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC3 ZINC000459729001 1032432443 /nfs/dbraw/zinc/43/24/43/1032432443.db2.gz DBDFKLJNHNKHIQ-IAGOWNOFSA-N 2 1 325.500 3.655 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459744972 1032458939 /nfs/dbraw/zinc/45/89/39/1032458939.db2.gz YILATUFKYKHPEP-QZTJIDSGSA-N 2 1 345.531 3.849 20 0 EHADMP CSC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000423372371 1032542783 /nfs/dbraw/zinc/54/27/83/1032542783.db2.gz GCSSXSRUGHXGNB-CQDKDKBSSA-N 2 1 332.435 3.840 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000089512895 1032544191 /nfs/dbraw/zinc/54/41/91/1032544191.db2.gz KBEQUQYBGQPSSR-CQSZACIVSA-N 2 1 343.515 3.830 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000090579539 1032584891 /nfs/dbraw/zinc/58/48/91/1032584891.db2.gz IQGXGBJTKOMLSD-ABAIWWIYSA-N 2 1 345.712 3.575 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449477437 1032601029 /nfs/dbraw/zinc/60/10/29/1032601029.db2.gz IFBVVELJTKQGLX-TYPHKJRUSA-N 2 1 342.527 3.836 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655690823 1017398319 /nfs/dbraw/zinc/39/83/19/1017398319.db2.gz LUJURMGXSQENQW-FQEVSTJZSA-N 2 1 338.499 3.740 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CCCN4)CC2)cc1 ZINC000415030002 1017429943 /nfs/dbraw/zinc/42/99/43/1017429943.db2.gz FGKPIHUJVAWVNI-UHFFFAOYSA-N 2 1 335.495 3.799 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655711771 1017434420 /nfs/dbraw/zinc/43/44/20/1017434420.db2.gz LQZSGSCBBQEWKY-UHFFFAOYSA-N 2 1 348.244 3.880 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)c1ccccc1 ZINC000655715460 1017445803 /nfs/dbraw/zinc/44/58/03/1017445803.db2.gz KMXTYMXHOPXBNT-RTWAWAEBSA-N 2 1 344.543 3.976 20 0 EHADMP CCC[C@@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044096 1017453084 /nfs/dbraw/zinc/45/30/84/1017453084.db2.gz AFTYUMFAOOECQY-HWELCPFYSA-N 2 1 343.559 3.594 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415054589 1017479077 /nfs/dbraw/zinc/47/90/77/1017479077.db2.gz QAECEUWRTYKJDS-GDBMZVCRSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415054593 1017479494 /nfs/dbraw/zinc/47/94/94/1017479494.db2.gz QAECEUWRTYKJDS-HOCLYGCPSA-N 2 1 328.378 3.549 20 0 EHADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000415084460 1017527476 /nfs/dbraw/zinc/52/74/76/1017527476.db2.gz RIKKGOAKQAWHKL-OAQYLSRUSA-N 2 1 326.484 3.866 20 0 EHADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000313754381 1017530667 /nfs/dbraw/zinc/53/06/67/1017530667.db2.gz YVMKQLSWPKQHOE-UHFFFAOYSA-N 2 1 325.294 3.531 20 0 EHADMP Fc1ccccc1OC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415088558 1017534403 /nfs/dbraw/zinc/53/44/03/1017534403.db2.gz XSEFDLKNPJSULA-APWZRJJASA-N 2 1 328.431 3.535 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000639172672 1017859122 /nfs/dbraw/zinc/85/91/22/1017859122.db2.gz NKPOJWBOLOIZSV-INIZCTEOSA-N 2 1 326.488 3.738 20 0 EHADMP C[C@H](CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)[NH+](C)C ZINC000340474363 1018001384 /nfs/dbraw/zinc/00/13/84/1018001384.db2.gz HVZQADZCYADROR-WIYYLYMNSA-N 2 1 349.538 3.919 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073278 1018599628 /nfs/dbraw/zinc/59/96/28/1018599628.db2.gz GHDXGNKMNRLRPK-VQTJNVASSA-N 2 1 348.490 3.949 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073278 1018599637 /nfs/dbraw/zinc/59/96/37/1018599637.db2.gz GHDXGNKMNRLRPK-VQTJNVASSA-N 2 1 348.490 3.949 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191796 1018769800 /nfs/dbraw/zinc/76/98/00/1018769800.db2.gz ZWRPRIZQZGJZQU-SFTDATJTSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191796 1018769812 /nfs/dbraw/zinc/76/98/12/1018769812.db2.gz ZWRPRIZQZGJZQU-SFTDATJTSA-N 2 1 344.543 3.960 20 0 EHADMP COc1ccc(C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000449560804 1032807200 /nfs/dbraw/zinc/80/72/00/1032807200.db2.gz PUNSVORYYLFRSS-ZHNYMBGRSA-N 2 1 328.500 3.936 20 0 EHADMP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000894178115 1019071042 /nfs/dbraw/zinc/07/10/42/1019071042.db2.gz DARPDKXCWFTROY-KRWDZBQOSA-N 2 1 338.499 3.636 20 0 EHADMP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000894178115 1019071055 /nfs/dbraw/zinc/07/10/55/1019071055.db2.gz DARPDKXCWFTROY-KRWDZBQOSA-N 2 1 338.499 3.636 20 0 EHADMP CCSCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152819187 1019115600 /nfs/dbraw/zinc/11/56/00/1019115600.db2.gz BDGXLDABTQGMHT-INIZCTEOSA-N 2 1 338.536 3.954 20 0 EHADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1SC ZINC000597977440 1032809592 /nfs/dbraw/zinc/80/95/92/1032809592.db2.gz LKBASJOROFAMDX-UHFFFAOYSA-N 2 1 336.545 3.969 20 0 EHADMP COCc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708550705 1032811450 /nfs/dbraw/zinc/81/14/50/1032811450.db2.gz IPHPEZGVACMMST-XMSQKQJNSA-N 2 1 338.495 3.691 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000513208136 1019411616 /nfs/dbraw/zinc/41/16/16/1019411616.db2.gz NHLMEOVAOYBXOH-GHTZIAJQSA-N 2 1 338.495 3.968 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000513208136 1019411627 /nfs/dbraw/zinc/41/16/27/1019411627.db2.gz NHLMEOVAOYBXOH-GHTZIAJQSA-N 2 1 338.495 3.968 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000513212686 1019418206 /nfs/dbraw/zinc/41/82/06/1019418206.db2.gz OWCWZMMQGZLLOL-HMXCVIKNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212686 1019418215 /nfs/dbraw/zinc/41/82/15/1019418215.db2.gz OWCWZMMQGZLLOL-HMXCVIKNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212686 1019418227 /nfs/dbraw/zinc/41/82/27/1019418227.db2.gz OWCWZMMQGZLLOL-HMXCVIKNSA-N 2 1 341.543 3.646 20 0 EHADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000261551962 1019454639 /nfs/dbraw/zinc/45/46/39/1019454639.db2.gz FYEMEGRPPATHDB-BHIFYINESA-N 2 1 341.543 3.551 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000261779376 1019461339 /nfs/dbraw/zinc/46/13/39/1019461339.db2.gz PEOGXZBXQAIHSI-VQIMIIECSA-N 2 1 343.515 3.765 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000152906345 1019595126 /nfs/dbraw/zinc/59/51/26/1019595126.db2.gz FLZQCWDERAIDON-GOSISDBHSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000152906345 1019595140 /nfs/dbraw/zinc/59/51/40/1019595140.db2.gz FLZQCWDERAIDON-GOSISDBHSA-N 2 1 333.863 3.778 20 0 EHADMP CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001167424203 1019756198 /nfs/dbraw/zinc/75/61/98/1019756198.db2.gz DMQRKRJCWWHWHL-OAQYLSRUSA-N 2 1 330.516 3.777 20 0 EHADMP CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001167424203 1019756213 /nfs/dbraw/zinc/75/62/13/1019756213.db2.gz DMQRKRJCWWHWHL-OAQYLSRUSA-N 2 1 330.516 3.777 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000513546034 1019814369 /nfs/dbraw/zinc/81/43/69/1019814369.db2.gz VMJQSQOJXMSTQB-SAPNQHFASA-N 2 1 349.950 3.607 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000513656925 1019912218 /nfs/dbraw/zinc/91/22/18/1019912218.db2.gz ZCUFYHYILPCTJE-HKBOAZHASA-N 2 1 328.500 3.970 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000345189888 1020040970 /nfs/dbraw/zinc/04/09/70/1020040970.db2.gz OHDCIDBQNZIEME-AWEZNQCLSA-N 2 1 329.257 3.552 20 0 EHADMP CC[N@H+](Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000345189888 1020040959 /nfs/dbraw/zinc/04/09/59/1020040959.db2.gz OHDCIDBQNZIEME-AWEZNQCLSA-N 2 1 329.257 3.552 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000513702815 1020646323 /nfs/dbraw/zinc/64/63/23/1020646323.db2.gz NIDDKTCTIUJRNC-FHWLQOOXSA-N 2 1 336.907 3.961 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC2CCCCC2)[C@H](C)C1 ZINC000501051765 1020669029 /nfs/dbraw/zinc/66/90/29/1020669029.db2.gz LCJDSOYMMPJMDK-IEBWSBKVSA-N 2 1 342.593 3.779 20 0 EHADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000430554177 1020670469 /nfs/dbraw/zinc/67/04/69/1020670469.db2.gz PTEDXRSKBLXCIS-CYBMUJFWSA-N 2 1 336.430 3.814 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206299 1020899337 /nfs/dbraw/zinc/89/93/37/1020899337.db2.gz HVBOHDDYGVEXJN-HZPDHXFCSA-N 2 1 326.488 3.655 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000156206299 1020899348 /nfs/dbraw/zinc/89/93/48/1020899348.db2.gz HVBOHDDYGVEXJN-HZPDHXFCSA-N 2 1 326.488 3.655 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000341174091 1021044705 /nfs/dbraw/zinc/04/47/05/1021044705.db2.gz FPBNPHRZCYTCMJ-UHFFFAOYSA-N 2 1 329.513 3.508 20 0 EHADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507459429 1021276371 /nfs/dbraw/zinc/27/63/71/1021276371.db2.gz FYWIGCOPASSCSH-BHIFYINESA-N 2 1 349.522 3.753 20 0 EHADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000507489561 1021306391 /nfs/dbraw/zinc/30/63/91/1021306391.db2.gz XNPNBNHQDWYWLX-ICSRJNTNSA-N 2 1 337.511 3.859 20 0 EHADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000507489561 1021306409 /nfs/dbraw/zinc/30/64/09/1021306409.db2.gz XNPNBNHQDWYWLX-ICSRJNTNSA-N 2 1 337.511 3.859 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)cc1O ZINC000426366010 1021394165 /nfs/dbraw/zinc/39/41/65/1021394165.db2.gz NYZFFAUNENAFDL-PKOBYXMFSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)cc1O ZINC000426366010 1021394185 /nfs/dbraw/zinc/39/41/85/1021394185.db2.gz NYZFFAUNENAFDL-PKOBYXMFSA-N 2 1 348.531 3.822 20 0 EHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccccc2s1 ZINC000187962464 1021395209 /nfs/dbraw/zinc/39/52/09/1021395209.db2.gz KPZHQVPOKPRMEO-INIZCTEOSA-N 2 1 345.556 3.826 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1O ZINC000426403110 1021505935 /nfs/dbraw/zinc/50/59/35/1021505935.db2.gz VNNCFTIFKFDEMS-IRXDYDNUSA-N 2 1 334.504 3.576 20 0 EHADMP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000437078385 1021528300 /nfs/dbraw/zinc/52/83/00/1021528300.db2.gz TWNQHYJYBOHOJU-OAQYLSRUSA-N 2 1 330.516 3.572 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000437132461 1021579937 /nfs/dbraw/zinc/57/99/37/1021579937.db2.gz PSXXPQACAOSHAX-UHFFFAOYSA-N 2 1 338.499 3.623 20 0 EHADMP O[C@@H]1CCCC[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519703809 1021617913 /nfs/dbraw/zinc/61/79/13/1021617913.db2.gz LNFXRNQESHMTAK-LEWJYISDSA-N 2 1 342.527 3.526 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000519841208 1021718357 /nfs/dbraw/zinc/71/83/57/1021718357.db2.gz KWPNCBCTVWOLME-SESVDKBCSA-N 2 1 330.516 3.836 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430656424 1021750681 /nfs/dbraw/zinc/75/06/81/1021750681.db2.gz UCTVTLBWNNPEPF-LJQANCHMSA-N 2 1 342.458 3.836 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430656424 1021750693 /nfs/dbraw/zinc/75/06/93/1021750693.db2.gz UCTVTLBWNNPEPF-LJQANCHMSA-N 2 1 342.458 3.836 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000276595127 1021944863 /nfs/dbraw/zinc/94/48/63/1021944863.db2.gz FDGLLCMQTGYRHF-CYBMUJFWSA-N 2 1 336.277 3.565 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593691477 1033028133 /nfs/dbraw/zinc/02/81/33/1033028133.db2.gz QDLNSIVQSONPSC-RBUKOAKNSA-N 2 1 344.499 3.631 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCC(=O)OC(C)(C)C)C2)CC1 ZINC000548297607 1022146693 /nfs/dbraw/zinc/14/66/93/1022146693.db2.gz HTIMFTSRKAXJHF-SFHVURJKSA-N 2 1 338.536 3.552 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCC(=O)OC(C)(C)C)C2)CC1 ZINC000548297607 1022146700 /nfs/dbraw/zinc/14/67/00/1022146700.db2.gz HTIMFTSRKAXJHF-SFHVURJKSA-N 2 1 338.536 3.552 20 0 EHADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441406694 1022234240 /nfs/dbraw/zinc/23/42/40/1022234240.db2.gz YVVWTMONFVIFAD-UYAOXDASSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406694 1022234249 /nfs/dbraw/zinc/23/42/49/1022234249.db2.gz YVVWTMONFVIFAD-UYAOXDASSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441406694 1022234259 /nfs/dbraw/zinc/23/42/59/1022234259.db2.gz YVVWTMONFVIFAD-UYAOXDASSA-N 2 1 328.500 3.631 20 0 EHADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000276710844 1022359635 /nfs/dbraw/zinc/35/96/35/1022359635.db2.gz VOGGBEVGPVZDPE-INIZCTEOSA-N 2 1 325.378 3.968 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977087 1022412328 /nfs/dbraw/zinc/41/23/28/1022412328.db2.gz XSTXATBXBNJHGY-RBSFLKMASA-N 2 1 346.500 3.571 20 0 EHADMP CCC[N@@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994667 1022420033 /nfs/dbraw/zinc/42/00/33/1022420033.db2.gz JMILFAPHHNWKMW-WCRBZPEASA-N 2 1 327.516 3.742 20 0 EHADMP CCC[NH+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994667 1022420037 /nfs/dbraw/zinc/42/00/37/1022420037.db2.gz JMILFAPHHNWKMW-WCRBZPEASA-N 2 1 327.516 3.742 20 0 EHADMP CCC[NH+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994667 1022420043 /nfs/dbraw/zinc/42/00/43/1022420043.db2.gz JMILFAPHHNWKMW-WCRBZPEASA-N 2 1 327.516 3.742 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000550097153 1022421566 /nfs/dbraw/zinc/42/15/66/1022421566.db2.gz QRQIHWIORJDWNZ-ZTFGCOKTSA-N 2 1 349.316 3.523 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000550097153 1022421571 /nfs/dbraw/zinc/42/15/71/1022421571.db2.gz QRQIHWIORJDWNZ-ZTFGCOKTSA-N 2 1 349.316 3.523 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156519078 1022501367 /nfs/dbraw/zinc/50/13/67/1022501367.db2.gz OAODXDQZPJBJGB-XHBSWPGZSA-N 2 1 330.394 3.532 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156519078 1022501379 /nfs/dbraw/zinc/50/13/79/1022501379.db2.gz OAODXDQZPJBJGB-XHBSWPGZSA-N 2 1 330.394 3.532 20 0 EHADMP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167974880 1022551547 /nfs/dbraw/zinc/55/15/47/1022551547.db2.gz CZLZPEORXCBNEV-GKTUAVMOSA-N 2 1 341.499 3.536 20 0 EHADMP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)nc1 ZINC001167974880 1022551554 /nfs/dbraw/zinc/55/15/54/1022551554.db2.gz CZLZPEORXCBNEV-GKTUAVMOSA-N 2 1 341.499 3.536 20 0 EHADMP COc1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167975226 1022583531 /nfs/dbraw/zinc/58/35/31/1022583531.db2.gz MRFIDGCQFXVDQV-YQQQUEKLSA-N 2 1 326.484 3.679 20 0 EHADMP COc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167975226 1022583535 /nfs/dbraw/zinc/58/35/35/1022583535.db2.gz MRFIDGCQFXVDQV-YQQQUEKLSA-N 2 1 326.484 3.679 20 0 EHADMP COc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167975226 1022583542 /nfs/dbraw/zinc/58/35/42/1022583542.db2.gz MRFIDGCQFXVDQV-YQQQUEKLSA-N 2 1 326.484 3.679 20 0 EHADMP Fc1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)c1 ZINC001167975597 1022642972 /nfs/dbraw/zinc/64/29/72/1022642972.db2.gz SEPFLZOCHICPJW-NXEWRWPSSA-N 2 1 329.463 3.667 20 0 EHADMP Fc1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)c1 ZINC001167975597 1022642983 /nfs/dbraw/zinc/64/29/83/1022642983.db2.gz SEPFLZOCHICPJW-NXEWRWPSSA-N 2 1 329.463 3.667 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414934641 1022770789 /nfs/dbraw/zinc/77/07/89/1022770789.db2.gz FJERMYSZXNWDOE-CJNGLKHVSA-N 2 1 340.895 3.615 20 0 EHADMP COc1cccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167982016 1022787934 /nfs/dbraw/zinc/78/79/34/1022787934.db2.gz TVKOITUXSHTQFJ-FAXKSRBJSA-N 2 1 328.500 3.794 20 0 EHADMP C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430963259 1022980862 /nfs/dbraw/zinc/98/08/62/1022980862.db2.gz TUYXPNVZFCKVRX-OXQOHEQNSA-N 2 1 326.440 3.527 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000506931906 1023022175 /nfs/dbraw/zinc/02/21/75/1023022175.db2.gz YLRWXLZZIWQZGW-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP OC1([C@@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664723773 1023080680 /nfs/dbraw/zinc/08/06/80/1023080680.db2.gz CXLSMUAENXCOCA-FQEVSTJZSA-N 2 1 328.500 3.552 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000518265148 1023175112 /nfs/dbraw/zinc/17/51/12/1023175112.db2.gz SKYQYWLVAPCUBW-OIISXLGYSA-N 2 1 328.422 3.728 20 0 EHADMP COCc1ccccc1/C=C(\C)CN[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000510809566 1023199778 /nfs/dbraw/zinc/19/97/78/1023199778.db2.gz HKGUWRVYOCXMON-XMJIKXADSA-N 2 1 328.500 3.843 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684574767 1023465592 /nfs/dbraw/zinc/46/55/92/1023465592.db2.gz BPMKZLDLMFTBAG-QGZVFWFLSA-N 2 1 333.435 3.651 20 0 EHADMP Oc1cccc2c(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc[nH+]c12 ZINC000684591561 1023597939 /nfs/dbraw/zinc/59/79/39/1023597939.db2.gz SVGVYTBUTBGSMH-QGZVFWFLSA-N 2 1 333.435 3.874 20 0 EHADMP Fc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000162980379 1033160619 /nfs/dbraw/zinc/16/06/19/1033160619.db2.gz FCUQITZSFBVBMC-UHFFFAOYSA-N 2 1 344.449 3.804 20 0 EHADMP c1ccc(CN2CCCO[C@@H](C[N@H+]3CCCC4(CCC4)C3)C2)cc1 ZINC000342135407 1024206992 /nfs/dbraw/zinc/20/69/92/1024206992.db2.gz QFVVLHWOGFRXAX-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000443616137 1024236782 /nfs/dbraw/zinc/23/67/82/1024236782.db2.gz LSNNHCYLUJGOOC-BEFAXECRSA-N 2 1 336.907 3.760 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342146764 1024240691 /nfs/dbraw/zinc/24/06/91/1024240691.db2.gz YQSDAJWBWUPFDY-JMGFVUJMSA-N 2 1 346.862 3.510 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342146764 1024240707 /nfs/dbraw/zinc/24/07/07/1024240707.db2.gz YQSDAJWBWUPFDY-JMGFVUJMSA-N 2 1 346.862 3.510 20 0 EHADMP Fc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000262120617 1024356464 /nfs/dbraw/zinc/35/64/64/1024356464.db2.gz XHSRFOJRFXZJHN-UHFFFAOYSA-N 2 1 331.460 3.525 20 0 EHADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc(OC)cc1 ZINC000346136967 1024466314 /nfs/dbraw/zinc/46/63/14/1024466314.db2.gz PZZUKBTWECPKOH-UHFFFAOYSA-N 2 1 336.439 3.606 20 0 EHADMP Cc1ccc(CCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000474161564 1024474054 /nfs/dbraw/zinc/47/40/54/1024474054.db2.gz VPHGQSXFSXEGAH-TZIWHRDSSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000474161564 1024474056 /nfs/dbraw/zinc/47/40/56/1024474056.db2.gz VPHGQSXFSXEGAH-TZIWHRDSSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000474161564 1024474057 /nfs/dbraw/zinc/47/40/57/1024474057.db2.gz VPHGQSXFSXEGAH-TZIWHRDSSA-N 2 1 329.532 3.909 20 0 EHADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346171104 1024484984 /nfs/dbraw/zinc/48/49/84/1024484984.db2.gz NXXBLHLAQVOCBO-KUHUBIRLSA-N 2 1 339.464 3.758 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)[C@H]1c1cccs1 ZINC000657886195 1033214464 /nfs/dbraw/zinc/21/44/64/1033214464.db2.gz CYFMNFFVFQLUJC-BBRMVZONSA-N 2 1 328.472 3.808 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)[C@H]1c1cccs1 ZINC000657886195 1033214479 /nfs/dbraw/zinc/21/44/79/1033214479.db2.gz CYFMNFFVFQLUJC-BBRMVZONSA-N 2 1 328.472 3.808 20 0 EHADMP C[C@@H]1[C@H]2CC[N@H+]1C[C@H](N[C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168028981 1024524118 /nfs/dbraw/zinc/52/41/18/1024524118.db2.gz RQPZCBSXJLYRCE-CHBSCGLWSA-N 2 1 341.543 3.500 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168028981 1024524123 /nfs/dbraw/zinc/52/41/23/1024524123.db2.gz RQPZCBSXJLYRCE-CHBSCGLWSA-N 2 1 341.543 3.500 20 0 EHADMP C[C@@H]1[C@H]2CC[NH+]1C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168028981 1024524139 /nfs/dbraw/zinc/52/41/39/1024524139.db2.gz RQPZCBSXJLYRCE-CHBSCGLWSA-N 2 1 341.543 3.500 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414860414 1024525153 /nfs/dbraw/zinc/52/51/53/1024525153.db2.gz VHQCUDJSGGSRDB-GHMZBOCLSA-N 2 1 331.685 3.580 20 0 EHADMP CCCC[N@@H+](C)CCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008218 1024568819 /nfs/dbraw/zinc/56/88/19/1024568819.db2.gz DEOWSPIXUDPCAT-OALUTQOASA-N 2 1 331.548 3.750 20 0 EHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261925790 1024697850 /nfs/dbraw/zinc/69/78/50/1024697850.db2.gz CDSLBNILVSJDAG-UHFFFAOYSA-N 2 1 336.479 3.938 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000435237400 1024719754 /nfs/dbraw/zinc/71/97/54/1024719754.db2.gz XRSOBBBCEUQASB-UHFFFAOYSA-N 2 1 349.522 3.775 20 0 EHADMP COC(C)(C)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346490913 1024799798 /nfs/dbraw/zinc/79/97/98/1024799798.db2.gz KQXPMOCKFGNKRX-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP COC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346490913 1024799805 /nfs/dbraw/zinc/79/98/05/1024799805.db2.gz KQXPMOCKFGNKRX-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP COC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346490913 1024799811 /nfs/dbraw/zinc/79/98/11/1024799811.db2.gz KQXPMOCKFGNKRX-NRFANRHFSA-N 2 1 330.516 3.790 20 0 EHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCc1cccs1 ZINC000435368646 1024851386 /nfs/dbraw/zinc/85/13/86/1024851386.db2.gz BZSDLXCPMWAEMW-ZBFHGGJFSA-N 2 1 346.496 3.505 20 0 EHADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435396054 1024895650 /nfs/dbraw/zinc/89/56/50/1024895650.db2.gz WICQBINHURACAA-CYBMUJFWSA-N 2 1 327.453 3.727 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435396054 1024895657 /nfs/dbraw/zinc/89/56/57/1024895657.db2.gz WICQBINHURACAA-CYBMUJFWSA-N 2 1 327.453 3.727 20 0 EHADMP Cc1nc(-c2cccc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)c2)[nH]c1C ZINC000895854715 1024913816 /nfs/dbraw/zinc/91/38/16/1024913816.db2.gz OBYNVTOEJJYEMO-MRXNPFEDSA-N 2 1 326.444 3.505 20 0 EHADMP Cc1nc(-c2cccc(NC(=O)[C@H]3CCN3C(C)(C)C)c2)[nH]c1C ZINC000895854715 1024913832 /nfs/dbraw/zinc/91/38/32/1024913832.db2.gz OBYNVTOEJJYEMO-MRXNPFEDSA-N 2 1 326.444 3.505 20 0 EHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1Cl ZINC000346628261 1024967966 /nfs/dbraw/zinc/96/79/66/1024967966.db2.gz ATCIQONJQGSWOP-KRWDZBQOSA-N 2 1 334.895 3.546 20 0 EHADMP C[C@@H]1CC([NH2+]CCCCC[NH+](C)C)C[C@@H](C)N1Cc1ccccc1 ZINC001168011517 1024992025 /nfs/dbraw/zinc/99/20/25/1024992025.db2.gz PBAJIKYZNNQKAV-RTBURBONSA-N 2 1 331.548 3.750 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011688 1025001418 /nfs/dbraw/zinc/00/14/18/1025001418.db2.gz QZNKQUDFURIVTQ-HOTGVXAUSA-N 2 1 340.515 3.568 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277417010 1025031751 /nfs/dbraw/zinc/03/17/51/1025031751.db2.gz ISRDBAVLXWCUCB-FQEVSTJZSA-N 2 1 339.483 3.673 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277417010 1025031767 /nfs/dbraw/zinc/03/17/67/1025031767.db2.gz ISRDBAVLXWCUCB-FQEVSTJZSA-N 2 1 339.483 3.673 20 0 EHADMP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435622276 1025037972 /nfs/dbraw/zinc/03/79/72/1025037972.db2.gz CPMOMAOYZVHTRE-HXUWFJFHSA-N 2 1 337.467 3.513 20 0 EHADMP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435622276 1025037988 /nfs/dbraw/zinc/03/79/88/1025037988.db2.gz CPMOMAOYZVHTRE-HXUWFJFHSA-N 2 1 337.467 3.513 20 0 EHADMP C[C@@H](C[NH+]1CCCC1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012409 1025108680 /nfs/dbraw/zinc/10/86/80/1025108680.db2.gz ZPSFODKVDPDAHH-HUUJSLGLSA-N 2 1 329.532 3.502 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000435787607 1025136321 /nfs/dbraw/zinc/13/63/21/1025136321.db2.gz PBOWCISAHZQOLX-UHFFFAOYSA-N 2 1 326.488 3.671 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435785109 1025149197 /nfs/dbraw/zinc/14/91/97/1025149197.db2.gz ABROKCKEJRRBJO-LJQANCHMSA-N 2 1 338.499 3.671 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435785109 1025149205 /nfs/dbraw/zinc/14/92/05/1025149205.db2.gz ABROKCKEJRRBJO-LJQANCHMSA-N 2 1 338.499 3.671 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897967000 1033264137 /nfs/dbraw/zinc/26/41/37/1033264137.db2.gz IUNDSWFFBXUENL-PIPMEXSNSA-N 2 1 335.495 3.970 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897967000 1033264153 /nfs/dbraw/zinc/26/41/53/1033264153.db2.gz IUNDSWFFBXUENL-PIPMEXSNSA-N 2 1 335.495 3.970 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000346827258 1025212383 /nfs/dbraw/zinc/21/23/83/1025212383.db2.gz HYHIMFCPPOTETD-OUCADQQQSA-N 2 1 330.806 3.501 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000474614294 1025219879 /nfs/dbraw/zinc/21/98/79/1025219879.db2.gz HCXHHZNHFZMVGD-FJIDUMEYSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000474614294 1025219890 /nfs/dbraw/zinc/21/98/90/1025219890.db2.gz HCXHHZNHFZMVGD-FJIDUMEYSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474614298 1025219937 /nfs/dbraw/zinc/21/99/37/1025219937.db2.gz HCXHHZNHFZMVGD-TVFCKZIOSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474614298 1025219946 /nfs/dbraw/zinc/21/99/46/1025219946.db2.gz HCXHHZNHFZMVGD-TVFCKZIOSA-N 2 1 348.531 3.906 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453223452 1025251767 /nfs/dbraw/zinc/25/17/67/1025251767.db2.gz RMKIWSXSLRLFJH-YTFSRNRJSA-N 2 1 349.522 3.965 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657349643 1025374011 /nfs/dbraw/zinc/37/40/11/1025374011.db2.gz JJALJQJDRWWEGJ-UHFFFAOYSA-N 2 1 343.540 3.532 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CNCc2cccc(F)c2OC(F)F)C1 ZINC000657348564 1025377497 /nfs/dbraw/zinc/37/74/97/1025377497.db2.gz ZSOBKGNXCYISRH-CYBMUJFWSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657348564 1025377507 /nfs/dbraw/zinc/37/75/07/1025377507.db2.gz ZSOBKGNXCYISRH-CYBMUJFWSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657348564 1025377520 /nfs/dbraw/zinc/37/75/20/1025377520.db2.gz ZSOBKGNXCYISRH-CYBMUJFWSA-N 2 1 330.394 3.637 20 0 EHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(C)c(Br)c1 ZINC001140554897 1025390305 /nfs/dbraw/zinc/39/03/05/1025390305.db2.gz NFRNYNSCZYFYOJ-UHFFFAOYSA-N 2 1 331.273 3.670 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(C)c(Br)c1 ZINC001140554897 1025390317 /nfs/dbraw/zinc/39/03/17/1025390317.db2.gz NFRNYNSCZYFYOJ-UHFFFAOYSA-N 2 1 331.273 3.670 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ncccc1Cl ZINC000530219894 1025491289 /nfs/dbraw/zinc/49/12/89/1025491289.db2.gz RZBBLHZCUMGHKO-YLJYHZDGSA-N 2 1 343.902 3.907 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ncccc1Cl ZINC000530219894 1025491302 /nfs/dbraw/zinc/49/13/02/1025491302.db2.gz RZBBLHZCUMGHKO-YLJYHZDGSA-N 2 1 343.902 3.907 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000530224695 1025500342 /nfs/dbraw/zinc/50/03/42/1025500342.db2.gz WOTOOMJGQBMEDH-SPLOXXLWSA-N 2 1 339.458 3.706 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C(C)C ZINC000436253467 1025510392 /nfs/dbraw/zinc/51/03/92/1025510392.db2.gz PKQDDFWGBQBBIE-UHFFFAOYSA-N 2 1 346.494 3.669 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442829644 1025522388 /nfs/dbraw/zinc/52/23/88/1025522388.db2.gz VVROABYHWCONHG-SJORKVTESA-N 2 1 325.500 3.593 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000436288772 1025552171 /nfs/dbraw/zinc/55/21/71/1025552171.db2.gz KXLJGSKRWKNKGD-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436289995 1025553275 /nfs/dbraw/zinc/55/32/75/1025553275.db2.gz YFRZZIYUCFUGFT-NRFANRHFSA-N 2 1 343.559 3.707 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000436293296 1025556977 /nfs/dbraw/zinc/55/69/77/1025556977.db2.gz DMUOJEMLKPHLED-RYLXDESZSA-N 2 1 348.506 3.798 20 0 EHADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCCC(C)C ZINC000442918249 1025583683 /nfs/dbraw/zinc/58/36/83/1025583683.db2.gz CFRNZGNGVQHTLS-KRWDZBQOSA-N 2 1 334.504 3.681 20 0 EHADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443079097 1025707177 /nfs/dbraw/zinc/70/71/77/1025707177.db2.gz YQPHSPKNQZCRLB-QWHCGFSZSA-N 2 1 334.851 3.512 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443078641 1025707715 /nfs/dbraw/zinc/70/77/15/1025707715.db2.gz XFKUPJYTLUFQAV-IAGOWNOFSA-N 2 1 331.504 3.506 20 0 EHADMP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530424976 1025798222 /nfs/dbraw/zinc/79/82/22/1025798222.db2.gz QTZMAWQDXYLIHY-SXLOBPIMSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121856370 1025917489 /nfs/dbraw/zinc/91/74/89/1025917489.db2.gz KIMRBLFHPKFDMV-RCOXNQKVSA-N 2 1 340.511 3.759 20 0 EHADMP CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000647249217 1025960644 /nfs/dbraw/zinc/96/06/44/1025960644.db2.gz KFYQRQFRUCJRCW-MOPGFXCFSA-N 2 1 342.458 3.659 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000530623591 1026146541 /nfs/dbraw/zinc/14/65/41/1026146541.db2.gz YUVPISSOUJGONR-QGZVFWFLSA-N 2 1 336.907 3.773 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530623591 1026146549 /nfs/dbraw/zinc/14/65/49/1026146549.db2.gz YUVPISSOUJGONR-QGZVFWFLSA-N 2 1 336.907 3.773 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530623591 1026146552 /nfs/dbraw/zinc/14/65/52/1026146552.db2.gz YUVPISSOUJGONR-QGZVFWFLSA-N 2 1 336.907 3.773 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057902 1026313872 /nfs/dbraw/zinc/31/38/72/1026313872.db2.gz OIAHJWQGQIFRED-MXNKGDRCSA-N 2 1 343.559 3.843 20 0 EHADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057902 1026313883 /nfs/dbraw/zinc/31/38/83/1026313883.db2.gz OIAHJWQGQIFRED-MXNKGDRCSA-N 2 1 343.559 3.843 20 0 EHADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057902 1026313898 /nfs/dbraw/zinc/31/38/98/1026313898.db2.gz OIAHJWQGQIFRED-MXNKGDRCSA-N 2 1 343.559 3.843 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000159104711 1026489317 /nfs/dbraw/zinc/48/93/17/1026489317.db2.gz DVVNUECMWXHJMN-AWEZNQCLSA-N 2 1 340.508 3.699 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000531139965 1026620380 /nfs/dbraw/zinc/62/03/80/1026620380.db2.gz MFAYZWQJSGSFKP-MSOLQXFVSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000531139965 1026620386 /nfs/dbraw/zinc/62/03/86/1026620386.db2.gz MFAYZWQJSGSFKP-MSOLQXFVSA-N 2 1 334.504 3.659 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000531139965 1026620393 /nfs/dbraw/zinc/62/03/93/1026620393.db2.gz MFAYZWQJSGSFKP-MSOLQXFVSA-N 2 1 334.504 3.659 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065153 1026631794 /nfs/dbraw/zinc/63/17/94/1026631794.db2.gz UDHGRSLLIRLVFV-UKBAYJJMSA-N 2 1 348.531 3.957 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065153 1026631804 /nfs/dbraw/zinc/63/18/04/1026631804.db2.gz UDHGRSLLIRLVFV-UKBAYJJMSA-N 2 1 348.531 3.957 20 0 EHADMP CC(C)[N@H+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168066491 1026900370 /nfs/dbraw/zinc/90/03/70/1026900370.db2.gz OZAUSNSUCDJXFP-UFYCRDLUSA-N 2 1 343.559 3.843 20 0 EHADMP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301700499 1026907644 /nfs/dbraw/zinc/90/76/44/1026907644.db2.gz FLAUFASUWATRAD-VQTJNVASSA-N 2 1 336.483 3.584 20 0 EHADMP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301700499 1026907651 /nfs/dbraw/zinc/90/76/51/1026907651.db2.gz FLAUFASUWATRAD-VQTJNVASSA-N 2 1 336.483 3.584 20 0 EHADMP CCOc1cc2[nH+]ccc(NC[C@@H]3CCC[N@@H+](C)C3)c2cc1OCC ZINC000301994097 1027017669 /nfs/dbraw/zinc/01/76/69/1027017669.db2.gz RODGFJSMZJEHAV-HNNXBMFYSA-N 2 1 343.471 3.786 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000125869625 1027134299 /nfs/dbraw/zinc/13/42/99/1027134299.db2.gz GCFFINKIFWJEED-ROUUACIJSA-N 2 1 343.515 3.584 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000125869625 1027134308 /nfs/dbraw/zinc/13/43/08/1027134308.db2.gz GCFFINKIFWJEED-ROUUACIJSA-N 2 1 343.515 3.584 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000272826613 1027136020 /nfs/dbraw/zinc/13/60/20/1027136020.db2.gz DNFRDTYNXAMNPH-PXAZEXFGSA-N 2 1 345.314 3.878 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000475681819 1027181147 /nfs/dbraw/zinc/18/11/47/1027181147.db2.gz MCOCOJKKEUCPOP-WVVQBRDUSA-N 2 1 344.543 3.959 20 0 EHADMP COCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000582730525 1027198142 /nfs/dbraw/zinc/19/81/42/1027198142.db2.gz ZBHHNJOWKSNCEB-TZIWHRDSSA-N 2 1 342.458 3.897 20 0 EHADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000582730525 1027198147 /nfs/dbraw/zinc/19/81/47/1027198147.db2.gz ZBHHNJOWKSNCEB-TZIWHRDSSA-N 2 1 342.458 3.897 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000513712661 1027215839 /nfs/dbraw/zinc/21/58/39/1027215839.db2.gz DZLOYSQYAZKEBW-VNQPRFMTSA-N 2 1 327.299 3.998 20 0 EHADMP Cn1c[nH+]cc1CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000459279262 1027218110 /nfs/dbraw/zinc/21/81/10/1027218110.db2.gz LNHZUYKHGIIWLR-QGZVFWFLSA-N 2 1 329.494 3.733 20 0 EHADMP Cn1c[nH+]cc1CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000459279262 1027218122 /nfs/dbraw/zinc/21/81/22/1027218122.db2.gz LNHZUYKHGIIWLR-QGZVFWFLSA-N 2 1 329.494 3.733 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(OC3CCCCC3)nc2)[C@H](C)C1 ZINC000531708695 1027232890 /nfs/dbraw/zinc/23/28/90/1027232890.db2.gz LFTJCTCFAJHVKC-APWZRJJASA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@H](C)C1 ZINC000531708695 1027232927 /nfs/dbraw/zinc/23/29/27/1027232927.db2.gz LFTJCTCFAJHVKC-APWZRJJASA-N 2 1 331.504 3.613 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453072443 1027287393 /nfs/dbraw/zinc/28/73/93/1027287393.db2.gz YAIRACACVPHROH-YPAWHYETSA-N 2 1 335.495 3.923 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657563816 1027312419 /nfs/dbraw/zinc/31/24/19/1027312419.db2.gz WFYXHXALCFHYNT-HXUWFJFHSA-N 2 1 348.506 3.627 20 0 EHADMP Clc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304911 1027454350 /nfs/dbraw/zinc/45/43/50/1027454350.db2.gz OXQNKVZLHMBTBC-GUYCJALGSA-N 2 1 343.298 3.756 20 0 EHADMP Clc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420304911 1027454361 /nfs/dbraw/zinc/45/43/61/1027454361.db2.gz OXQNKVZLHMBTBC-GUYCJALGSA-N 2 1 343.298 3.756 20 0 EHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420311139 1027455323 /nfs/dbraw/zinc/45/53/23/1027455323.db2.gz NGPCWDGYVBEHFW-OAHLLOKOSA-N 2 1 344.455 3.574 20 0 EHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420311139 1027455338 /nfs/dbraw/zinc/45/53/38/1027455338.db2.gz NGPCWDGYVBEHFW-OAHLLOKOSA-N 2 1 344.455 3.574 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309545 1027456589 /nfs/dbraw/zinc/45/65/89/1027456589.db2.gz OOSYORJRZAQXIL-LUQKVYGDSA-N 2 1 347.462 3.761 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420309545 1027456597 /nfs/dbraw/zinc/45/65/97/1027456597.db2.gz OOSYORJRZAQXIL-LUQKVYGDSA-N 2 1 347.462 3.761 20 0 EHADMP Cc1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000420316118 1027462683 /nfs/dbraw/zinc/46/26/83/1027462683.db2.gz MLMVERUAPPBVDK-HNNXBMFYSA-N 2 1 344.421 3.676 20 0 EHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420318405 1027466700 /nfs/dbraw/zinc/46/67/00/1027466700.db2.gz NZTXRLNHJJRVAJ-ZJOUEHCJSA-N 2 1 329.532 3.534 20 0 EHADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000420321155 1027469480 /nfs/dbraw/zinc/46/94/80/1027469480.db2.gz QVIGOVHZYXULRH-AWEZNQCLSA-N 2 1 325.294 3.659 20 0 EHADMP c1sc(Cc2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332578 1027482777 /nfs/dbraw/zinc/48/27/77/1027482777.db2.gz GOMIDHIDCOFISR-IBGZPJMESA-N 2 1 341.524 3.698 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000129192404 1027532473 /nfs/dbraw/zinc/53/24/73/1027532473.db2.gz VBMYBBGWTNBWMS-MRXNPFEDSA-N 2 1 331.485 3.771 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000129192404 1027532478 /nfs/dbraw/zinc/53/24/78/1027532478.db2.gz VBMYBBGWTNBWMS-MRXNPFEDSA-N 2 1 331.485 3.771 20 0 EHADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccn1 ZINC000342864147 1027722163 /nfs/dbraw/zinc/72/21/63/1027722163.db2.gz LERZNZKSQCIFHS-KRWDZBQOSA-N 2 1 331.504 3.567 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000414660470 1027739995 /nfs/dbraw/zinc/73/99/95/1027739995.db2.gz OGIRSOGAKJESCE-DLBZAZTESA-N 2 1 340.515 3.729 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628162422 1027796906 /nfs/dbraw/zinc/79/69/06/1027796906.db2.gz PVLQZJDXTOUZRL-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000414672389 1027801697 /nfs/dbraw/zinc/80/16/97/1027801697.db2.gz PAZUGHCYDLPDJS-JBACZVJFSA-N 2 1 336.479 3.921 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414673495 1027816178 /nfs/dbraw/zinc/81/61/78/1027816178.db2.gz OQEFNIWHJMOLPU-NRFANRHFSA-N 2 1 338.495 3.740 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414673495 1027816202 /nfs/dbraw/zinc/81/62/02/1027816202.db2.gz OQEFNIWHJMOLPU-NRFANRHFSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898762 1027839203 /nfs/dbraw/zinc/83/92/03/1027839203.db2.gz DMRIKWNNFHLEJE-INIZCTEOSA-N 2 1 330.497 3.773 20 0 EHADMP C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898762 1027839227 /nfs/dbraw/zinc/83/92/27/1027839227.db2.gz DMRIKWNNFHLEJE-INIZCTEOSA-N 2 1 330.497 3.773 20 0 EHADMP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1Cl ZINC000422765129 1027945847 /nfs/dbraw/zinc/94/58/47/1027945847.db2.gz QGLXULRKAJMOLF-CEXWTWQISA-N 2 1 329.875 3.677 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825129 1027968918 /nfs/dbraw/zinc/96/89/18/1027968918.db2.gz JAPNEPXHVLXADT-KJJMTIBFSA-N 2 1 341.543 3.642 20 0 EHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414697396 1027977972 /nfs/dbraw/zinc/97/79/72/1027977972.db2.gz WKZAQLGVLYXRCD-ANTGDGSKSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839611 1027981999 /nfs/dbraw/zinc/98/19/99/1027981999.db2.gz QVNKNLZSRNDOCU-QRVBRYPASA-N 2 1 349.588 3.861 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422839611 1027982009 /nfs/dbraw/zinc/98/20/09/1027982009.db2.gz QVNKNLZSRNDOCU-QRVBRYPASA-N 2 1 349.588 3.861 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnccc1N ZINC000422858744 1027992642 /nfs/dbraw/zinc/99/26/42/1027992642.db2.gz JCRQCIPQTFWMHA-IRXDYDNUSA-N 2 1 338.499 3.719 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422867377 1028004144 /nfs/dbraw/zinc/00/41/44/1028004144.db2.gz SBHLEXWLCFMJRZ-DOPJRALCSA-N 2 1 326.440 3.808 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422915198 1028050233 /nfs/dbraw/zinc/05/02/33/1028050233.db2.gz XOGYKEFLDSGDKP-GCJKJVERSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422915198 1028050251 /nfs/dbraw/zinc/05/02/51/1028050251.db2.gz XOGYKEFLDSGDKP-GCJKJVERSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422915198 1028050268 /nfs/dbraw/zinc/05/02/68/1028050268.db2.gz XOGYKEFLDSGDKP-GCJKJVERSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422915198 1028050285 /nfs/dbraw/zinc/05/02/85/1028050285.db2.gz XOGYKEFLDSGDKP-GCJKJVERSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422915198 1028050303 /nfs/dbraw/zinc/05/03/03/1028050303.db2.gz XOGYKEFLDSGDKP-GCJKJVERSA-N 2 1 339.527 3.575 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(C)nn(C)c1C ZINC000133675991 1028055436 /nfs/dbraw/zinc/05/54/36/1028055436.db2.gz FYOSULSIXSOWOZ-IBGZPJMESA-N 2 1 332.536 3.875 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000414498450 1028074592 /nfs/dbraw/zinc/07/45/92/1028074592.db2.gz WGPHBTQVMYHJRE-INIZCTEOSA-N 2 1 344.528 3.526 20 0 EHADMP c1coc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967034 1028079461 /nfs/dbraw/zinc/07/94/61/1028079461.db2.gz SBSWIJYZFNSXAQ-WCIQWLHISA-N 2 1 345.531 3.707 20 0 EHADMP C[C@H]([NH2+][C@H](c1cccs1)c1ccc2c(c1)CCCC2)C1C[NH2+]C1 ZINC000422966151 1028080276 /nfs/dbraw/zinc/08/02/76/1028080276.db2.gz QTVJYAUISMWLAM-XOBRGWDASA-N 2 1 326.509 3.914 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422959748 1028098462 /nfs/dbraw/zinc/09/84/62/1028098462.db2.gz UGSKPUMQFGWFIA-HZPDHXFCSA-N 2 1 336.357 3.819 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422997523 1028113717 /nfs/dbraw/zinc/11/37/17/1028113717.db2.gz ODQLPCVBHOBYSC-NJDAHSKKSA-N 2 1 329.532 3.580 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)OC(C)C ZINC000423048387 1028132812 /nfs/dbraw/zinc/13/28/12/1028132812.db2.gz HUCCGRHVHMMMDH-SBHAEUEKSA-N 2 1 340.467 3.896 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423102338 1028183746 /nfs/dbraw/zinc/18/37/46/1028183746.db2.gz JXPFJIXCKTZWIW-FFZOFVMBSA-N 2 1 345.506 3.826 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000161605365 1028205444 /nfs/dbraw/zinc/20/54/44/1028205444.db2.gz ZNPHUQYVBZGXHW-CJNGLKHVSA-N 2 1 326.406 3.809 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134506 1028220897 /nfs/dbraw/zinc/22/08/97/1028220897.db2.gz MHRFYVPGBRDVOR-FASAQXTFSA-N 2 1 336.414 3.807 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143054 1028228651 /nfs/dbraw/zinc/22/86/51/1028228651.db2.gz WFYJESNLFMYGAF-NJDAHSKKSA-N 2 1 329.532 3.538 20 0 EHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423143717 1028228848 /nfs/dbraw/zinc/22/88/48/1028228848.db2.gz DVZHIEWSDSPKKE-BMGDILEWSA-N 2 1 344.890 3.536 20 0 EHADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1Br ZINC000423168038 1028239179 /nfs/dbraw/zinc/23/91/79/1028239179.db2.gz UBVHRXMZGVUCTQ-IRXDYDNUSA-N 2 1 331.257 3.992 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423181429 1028251467 /nfs/dbraw/zinc/25/14/67/1028251467.db2.gz CSGKLDLBRZURNQ-SFHVURJKSA-N 2 1 345.874 3.718 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(-c2ccncc2)cc1 ZINC000423191775 1028261199 /nfs/dbraw/zinc/26/11/99/1028261199.db2.gz TXTUIEHWEYYCLK-GOSISDBHSA-N 2 1 346.478 3.974 20 0 EHADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191292 1028261914 /nfs/dbraw/zinc/26/19/14/1028261914.db2.gz SROHXLXJWOZDNR-MGPUTAFESA-N 2 1 327.447 3.614 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000423193662 1028261971 /nfs/dbraw/zinc/26/19/71/1028261971.db2.gz XSJDHMGFEHADGK-AWEZNQCLSA-N 2 1 337.389 3.931 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423265765 1028301152 /nfs/dbraw/zinc/30/11/52/1028301152.db2.gz CZIMTXSCOGQQHH-CHWSQXEVSA-N 2 1 329.307 3.559 20 0 EHADMP CC(C)[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000423244226 1028306286 /nfs/dbraw/zinc/30/62/86/1028306286.db2.gz NMBGEUIUABIFSM-YJBOKZPZSA-N 2 1 325.412 3.520 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421378772 1028337248 /nfs/dbraw/zinc/33/72/48/1028337248.db2.gz TUHWQOQFYXAKPN-PCCBWWKXSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@H](C[NH3+])CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423306876 1028344748 /nfs/dbraw/zinc/34/47/48/1028344748.db2.gz MGLMNARTARGTOO-XLIONFOSSA-N 2 1 335.511 3.563 20 0 EHADMP Cc1ccc(C(=O)CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000161919973 1028361447 /nfs/dbraw/zinc/36/14/47/1028361447.db2.gz ISLHGJSHPMLAJZ-PKOBYXMFSA-N 2 1 328.500 3.810 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000423330147 1028367259 /nfs/dbraw/zinc/36/72/59/1028367259.db2.gz LZICQBLTMRYFDR-RLNQZENFSA-N 2 1 338.442 3.554 20 0 EHADMP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc(F)cc2)cc1 ZINC000423353267 1028382717 /nfs/dbraw/zinc/38/27/17/1028382717.db2.gz BICVTYXSSMOTHH-UYAOXDASSA-N 2 1 328.431 3.655 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc2cc(Br)ccc2o1 ZINC000423367287 1028394332 /nfs/dbraw/zinc/39/43/32/1028394332.db2.gz RDZUXTQAEINVAB-BXUZGUMPSA-N 2 1 337.261 3.988 20 0 EHADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000068353192 1028394819 /nfs/dbraw/zinc/39/48/19/1028394819.db2.gz PZGIAPMXPJUGOB-KRWDZBQOSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000504088975 1028413480 /nfs/dbraw/zinc/41/34/80/1028413480.db2.gz UAMMRURNBSXRBG-QZTJIDSGSA-N 2 1 340.515 3.843 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423441209 1028429936 /nfs/dbraw/zinc/42/99/36/1028429936.db2.gz BAQWHOHLQSLVPE-WPRPVWTQSA-N 2 1 339.199 3.856 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2sc(Br)cc21)C1CCCC1 ZINC000423499980 1028467477 /nfs/dbraw/zinc/46/74/77/1028467477.db2.gz JYIRFZOHNIGVDB-NEPJUHHUSA-N 2 1 329.307 3.605 20 0 EHADMP Clc1ccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423501760 1028467675 /nfs/dbraw/zinc/46/76/75/1028467675.db2.gz DPHUURQPVUMCHH-WOJBJXKFSA-N 2 1 344.886 3.592 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccccc1 ZINC000423505616 1028470278 /nfs/dbraw/zinc/47/02/78/1028470278.db2.gz OOVPTUUMBUHDSV-JXFKEZNVSA-N 2 1 349.482 3.707 20 0 EHADMP c1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423509623 1028473264 /nfs/dbraw/zinc/47/32/64/1028473264.db2.gz LOZZVISTZVBQAO-XABBQPORSA-N 2 1 341.543 3.519 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423494829 1028479496 /nfs/dbraw/zinc/47/94/96/1028479496.db2.gz BBWQQZREWAKRBY-MEDUHNTESA-N 2 1 343.284 3.626 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423494947 1028480465 /nfs/dbraw/zinc/48/04/65/1028480465.db2.gz SXGRLKUWKSWNJF-CJNGLKHVSA-N 2 1 331.287 3.659 20 0 EHADMP CC[NH+]1CCC(NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)CC1 ZINC000714221551 1028483912 /nfs/dbraw/zinc/48/39/12/1028483912.db2.gz XNNMSCHIMLWXLP-UHFFFAOYSA-N 2 1 343.559 3.895 20 0 EHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccccc2s1 ZINC000423510332 1028486768 /nfs/dbraw/zinc/48/67/68/1028486768.db2.gz NOSPFFLXCSYEFF-FAEJEUNOSA-N 2 1 343.540 3.768 20 0 EHADMP CC(C)C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccn1 ZINC000423517324 1028492498 /nfs/dbraw/zinc/49/24/98/1028492498.db2.gz BNQKBEDJNJBRSA-SGRZJPDBSA-N 2 1 327.516 3.912 20 0 EHADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001167647769 1028530170 /nfs/dbraw/zinc/53/01/70/1028530170.db2.gz OWZCLXRIOIPMCW-ACRUOGEOSA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001167647769 1028530176 /nfs/dbraw/zinc/53/01/76/1028530176.db2.gz OWZCLXRIOIPMCW-ACRUOGEOSA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001167647769 1028530189 /nfs/dbraw/zinc/53/01/89/1028530189.db2.gz OWZCLXRIOIPMCW-ACRUOGEOSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000523853821 1028662380 /nfs/dbraw/zinc/66/23/80/1028662380.db2.gz VKNFGWIHIHHLBG-CZUORRHYSA-N 2 1 339.911 3.623 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000246954978 1028719064 /nfs/dbraw/zinc/71/90/64/1028719064.db2.gz IGOJEYPXQZQSDN-DLBZAZTESA-N 2 1 331.504 3.808 20 0 EHADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC000414773991 1028795785 /nfs/dbraw/zinc/79/57/85/1028795785.db2.gz FAYFIDQPLHFQKU-ZIAGYGMSSA-N 2 1 330.369 3.666 20 0 EHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(F)c1 ZINC000424128271 1028825781 /nfs/dbraw/zinc/82/57/81/1028825781.db2.gz FDOKBGMOPVIWHE-UHFFFAOYSA-N 2 1 334.410 3.503 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000245565617 1028853868 /nfs/dbraw/zinc/85/38/68/1028853868.db2.gz RVQHLXJKDARAMH-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000245565617 1028853882 /nfs/dbraw/zinc/85/38/82/1028853882.db2.gz RVQHLXJKDARAMH-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000245565617 1028853900 /nfs/dbraw/zinc/85/39/00/1028853900.db2.gz RVQHLXJKDARAMH-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000245565617 1028853915 /nfs/dbraw/zinc/85/39/15/1028853915.db2.gz RVQHLXJKDARAMH-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502918620 1028863006 /nfs/dbraw/zinc/86/30/06/1028863006.db2.gz ISDHETLAACMFGN-KRWDZBQOSA-N 2 1 342.487 3.711 20 0 EHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502918620 1028863019 /nfs/dbraw/zinc/86/30/19/1028863019.db2.gz ISDHETLAACMFGN-KRWDZBQOSA-N 2 1 342.487 3.711 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414777118 1028869811 /nfs/dbraw/zinc/86/98/11/1028869811.db2.gz XQLQIFSEQAUNED-HFIMWGCJSA-N 2 1 348.490 3.963 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414777118 1028869832 /nfs/dbraw/zinc/86/98/32/1028869832.db2.gz XQLQIFSEQAUNED-HFIMWGCJSA-N 2 1 348.490 3.963 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778884 1028899184 /nfs/dbraw/zinc/89/91/84/1028899184.db2.gz JMRMJXJHOHNNHX-UONOGXRCSA-N 2 1 330.369 3.666 20 0 EHADMP c1ccc(COCCC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000248648546 1028933645 /nfs/dbraw/zinc/93/36/45/1028933645.db2.gz UTSVXGINEDJIGI-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000424298311 1028938258 /nfs/dbraw/zinc/93/82/58/1028938258.db2.gz UJTVSFQLVAAMGO-CQSZACIVSA-N 2 1 345.874 3.959 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424296217 1028938854 /nfs/dbraw/zinc/93/88/54/1028938854.db2.gz FNFINAGDMMCDAN-FKOZLKKJSA-N 2 1 342.527 3.690 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424296217 1028938866 /nfs/dbraw/zinc/93/88/66/1028938866.db2.gz FNFINAGDMMCDAN-FKOZLKKJSA-N 2 1 342.527 3.690 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424281359 1028952788 /nfs/dbraw/zinc/95/27/88/1028952788.db2.gz NFBSLTLDPIEIEF-CFPUCVPGSA-N 2 1 342.527 3.690 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248829488 1028955944 /nfs/dbraw/zinc/95/59/44/1028955944.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248829488 1028955958 /nfs/dbraw/zinc/95/59/58/1028955958.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248829488 1028955977 /nfs/dbraw/zinc/95/59/77/1028955977.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248829488 1028955992 /nfs/dbraw/zinc/95/59/92/1028955992.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248829488 1028956008 /nfs/dbraw/zinc/95/60/08/1028956008.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248829488 1028956021 /nfs/dbraw/zinc/95/60/21/1028956021.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248829488 1028956036 /nfs/dbraw/zinc/95/60/36/1028956036.db2.gz HBLDTYRIFIBLOA-AMZGXZFVSA-N 2 1 341.543 3.776 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1Oc1cccnc1)CC[NH2+]CC2 ZINC000424283787 1028958044 /nfs/dbraw/zinc/95/80/44/1028958044.db2.gz CBTNPYBKPYQOJS-QGZVFWFLSA-N 2 1 337.467 3.838 20 0 EHADMP Oc1ccccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249045410 1028978234 /nfs/dbraw/zinc/97/82/34/1028978234.db2.gz VYHMMXKQRRVCGK-WKCHPHFGSA-N 2 1 336.479 3.720 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249032813 1028978932 /nfs/dbraw/zinc/97/89/32/1028978932.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 3 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249032813 1028978951 /nfs/dbraw/zinc/97/89/51/1028978951.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 3 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249032813 1028978971 /nfs/dbraw/zinc/97/89/71/1028978971.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 3 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249032813 1028978991 /nfs/dbraw/zinc/97/89/91/1028978991.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249032813 1028979003 /nfs/dbraw/zinc/97/90/03/1028979003.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249032813 1028979021 /nfs/dbraw/zinc/97/90/21/1028979021.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249032813 1028979032 /nfs/dbraw/zinc/97/90/32/1028979032.db2.gz RNKHURANOPTJFW-IRFPFTSISA-N 2 1 341.543 3.633 20 0 EHADMP Cc1csc(C2([NH2+]C[C@@H](C[NH3+])c3ccc(F)cc3)CCCC2)n1 ZINC000424303842 1028986400 /nfs/dbraw/zinc/98/64/00/1028986400.db2.gz PJQAFHHHTHSTNG-OAHLLOKOSA-N 2 1 333.476 3.692 20 0 EHADMP OC1(C2(C[NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526314 1029049541 /nfs/dbraw/zinc/04/95/41/1029049541.db2.gz ZLTLZIBEVUPHHS-AZUAARDMSA-N 2 1 340.511 3.639 20 0 EHADMP OC1(C2(C[NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526314 1029049558 /nfs/dbraw/zinc/04/95/58/1029049558.db2.gz ZLTLZIBEVUPHHS-AZUAARDMSA-N 2 1 340.511 3.639 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414786073 1029052527 /nfs/dbraw/zinc/05/25/27/1029052527.db2.gz TYZSKDXECXOXKW-OALUTQOASA-N 2 1 346.515 3.696 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000897527958 1029099589 /nfs/dbraw/zinc/09/95/89/1029099589.db2.gz UZOBHJHLWOBFID-HNNXBMFYSA-N 2 1 325.456 3.527 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000271958415 1029246679 /nfs/dbraw/zinc/24/66/79/1029246679.db2.gz YXXJGWOWBCQPCZ-UHFFFAOYSA-N 2 1 330.369 3.951 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245764496 1029262998 /nfs/dbraw/zinc/26/29/98/1029262998.db2.gz WDQOSJPMAQCBPU-FRYIKTPZSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272157949 1029337633 /nfs/dbraw/zinc/33/76/33/1029337633.db2.gz FLHMKILSTKYUNG-UZLBHIALSA-N 2 1 334.467 3.563 20 0 EHADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000583241859 1029380346 /nfs/dbraw/zinc/38/03/46/1029380346.db2.gz PMEZSNJYWJESHE-UHFFFAOYSA-N 2 1 337.895 3.523 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000272293184 1029402073 /nfs/dbraw/zinc/40/20/73/1029402073.db2.gz HKVSWCFSXGMMTR-UHFFFAOYSA-N 2 1 338.495 3.523 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481382 1029477072 /nfs/dbraw/zinc/47/70/72/1029477072.db2.gz MFDSYRJABNTQES-VLCRHTCISA-N 2 1 338.495 3.529 20 0 EHADMP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261699453 1029485256 /nfs/dbraw/zinc/48/52/56/1029485256.db2.gz CIEFCUIFWKNHMI-INIZCTEOSA-N 2 1 325.294 3.659 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272504193 1029487392 /nfs/dbraw/zinc/48/73/92/1029487392.db2.gz ODWRIFOHFDUVDT-MAUKXSAKSA-N 2 1 327.472 3.546 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272504193 1029487402 /nfs/dbraw/zinc/48/74/02/1029487402.db2.gz ODWRIFOHFDUVDT-MAUKXSAKSA-N 2 1 327.472 3.546 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000261899197 1029525298 /nfs/dbraw/zinc/52/52/98/1029525298.db2.gz WGXMXEWDACTHNJ-IBGZPJMESA-N 2 1 332.394 3.928 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000261899197 1029525305 /nfs/dbraw/zinc/52/53/05/1029525305.db2.gz WGXMXEWDACTHNJ-IBGZPJMESA-N 2 1 332.394 3.928 20 0 EHADMP C[NH2+]CCC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000262018549 1029550367 /nfs/dbraw/zinc/55/03/67/1029550367.db2.gz WYGKIWGBTXOFBE-UHFFFAOYSA-N 2 1 343.540 3.750 20 0 EHADMP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262075273 1029558338 /nfs/dbraw/zinc/55/83/38/1029558338.db2.gz SMKFGHHJRAHRQN-IBGZPJMESA-N 2 1 332.394 3.627 20 0 EHADMP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262075273 1029558340 /nfs/dbraw/zinc/55/83/40/1029558340.db2.gz SMKFGHHJRAHRQN-IBGZPJMESA-N 2 1 332.394 3.627 20 0 EHADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)cc1 ZINC000394446029 1029569945 /nfs/dbraw/zinc/56/99/45/1029569945.db2.gz VOOHDUJGAFLYTL-OYRHEFFESA-N 2 1 336.479 3.697 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125943424 1029637712 /nfs/dbraw/zinc/63/77/12/1029637712.db2.gz NPUOCHZIFPOIDT-HKUYNNGSSA-N 2 1 326.488 3.743 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125943424 1029637719 /nfs/dbraw/zinc/63/77/19/1029637719.db2.gz NPUOCHZIFPOIDT-HKUYNNGSSA-N 2 1 326.488 3.743 20 0 EHADMP C[C@H]([NH2+]CCCc1ccc(O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709528 1029771442 /nfs/dbraw/zinc/77/14/42/1029771442.db2.gz HQHYEIFKMPWZIF-RXVVDRJESA-N 2 1 338.495 3.825 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836114 1029815900 /nfs/dbraw/zinc/81/59/00/1029815900.db2.gz RXLALQURCZYUMY-LEWJYISDSA-N 2 1 342.458 3.503 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836114 1029815907 /nfs/dbraw/zinc/81/59/07/1029815907.db2.gz RXLALQURCZYUMY-LEWJYISDSA-N 2 1 342.458 3.503 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721435 1029831436 /nfs/dbraw/zinc/83/14/36/1029831436.db2.gz URCZTLBTJHDUDV-NRSPTQNISA-N 2 1 332.532 3.674 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCC2CCOCC2)C3)cc1 ZINC000453226209 1029943239 /nfs/dbraw/zinc/94/32/39/1029943239.db2.gz FKUNDRBNJAPCEP-DKUWSORSSA-N 2 1 342.527 3.978 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000650707822 1030004455 /nfs/dbraw/zinc/00/44/55/1030004455.db2.gz NOVDXIFMMYUONH-WAOWUJCRSA-N 2 1 340.467 3.665 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000650707174 1030013965 /nfs/dbraw/zinc/01/39/65/1030013965.db2.gz ZZQOCJIHVOEHJU-YSVLISHTSA-N 2 1 343.298 3.712 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4=CCOCC4)[C@H]3C2)cc1 ZINC000453279108 1030020038 /nfs/dbraw/zinc/02/00/38/1030020038.db2.gz DWRPKCVKLQNULS-FDFHNCONSA-N 2 1 340.511 3.614 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769350 1030070214 /nfs/dbraw/zinc/07/02/14/1030070214.db2.gz ZRPAMJHYANCRDP-RTWAWAEBSA-N 2 1 342.527 3.978 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769350 1030070225 /nfs/dbraw/zinc/07/02/25/1030070225.db2.gz ZRPAMJHYANCRDP-RTWAWAEBSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1ncsc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453307190 1030076603 /nfs/dbraw/zinc/07/66/03/1030076603.db2.gz MFBYAHBDHXKDLU-REPLKXPHSA-N 2 1 341.524 3.779 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(Br)cc2Cl)[C@@H](C)C1 ZINC000531954754 1030129215 /nfs/dbraw/zinc/12/92/15/1030129215.db2.gz ZHDTUEVLQZMDAY-NHYWBVRUSA-N 2 1 345.712 3.922 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CC2)[C@@H](C)C1 ZINC000481934512 1030129963 /nfs/dbraw/zinc/12/99/63/1030129963.db2.gz UQBXEIUJAPDLPG-PZJWPPBQSA-N 2 1 344.543 3.753 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000657771651 1030141142 /nfs/dbraw/zinc/14/11/42/1030141142.db2.gz DWPOKAJWIAWJOY-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)cc1 ZINC000090654632 1030154810 /nfs/dbraw/zinc/15/48/10/1030154810.db2.gz QYLBZYIHKJBJCL-DRSNIGMVSA-N 2 1 349.478 3.823 20 0 EHADMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000453386253 1030168977 /nfs/dbraw/zinc/16/89/77/1030168977.db2.gz ALEJSUXUWCIAMN-UHFFFAOYSA-N 2 1 349.950 3.768 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3ccccc3s2)C1 ZINC000650723985 1030216782 /nfs/dbraw/zinc/21/67/82/1030216782.db2.gz WMVJTXURBITSHU-KBAYOESNSA-N 2 1 330.497 3.762 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453406858 1030217707 /nfs/dbraw/zinc/21/77/07/1030217707.db2.gz FYRQWAOSHKGUEB-MISYRCLQSA-N 2 1 330.516 3.692 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453413755 1030226658 /nfs/dbraw/zinc/22/66/58/1030226658.db2.gz JEYOBUSBIBGQRA-MXEMCNAFSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000157070111 1030239210 /nfs/dbraw/zinc/23/92/10/1030239210.db2.gz ROPZGWKVXHPWGA-WBVHZDCISA-N 2 1 344.421 3.550 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000157070111 1030239217 /nfs/dbraw/zinc/23/92/17/1030239217.db2.gz ROPZGWKVXHPWGA-WBVHZDCISA-N 2 1 344.421 3.550 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157070111 1030239230 /nfs/dbraw/zinc/23/92/30/1030239230.db2.gz ROPZGWKVXHPWGA-WBVHZDCISA-N 2 1 344.421 3.550 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157070111 1030239241 /nfs/dbraw/zinc/23/92/41/1030239241.db2.gz ROPZGWKVXHPWGA-WBVHZDCISA-N 2 1 344.421 3.550 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)C3CC3)CC2)nc(C)[nH+]1 ZINC000091368025 1030258733 /nfs/dbraw/zinc/25/87/33/1030258733.db2.gz YHYLQMIMTMHIBO-NRFANRHFSA-N 2 1 336.483 3.803 20 0 EHADMP COC(=O)C(C)(C)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000525977830 1030264402 /nfs/dbraw/zinc/26/44/02/1030264402.db2.gz RAFDEAROXGSZME-KRWDZBQOSA-N 2 1 338.536 3.552 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000537636612 1030266837 /nfs/dbraw/zinc/26/68/37/1030266837.db2.gz TYFQQCFEICAXAW-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000537636612 1030266849 /nfs/dbraw/zinc/26/68/49/1030266849.db2.gz TYFQQCFEICAXAW-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000537636612 1030266867 /nfs/dbraw/zinc/26/68/67/1030266867.db2.gz TYFQQCFEICAXAW-UHFFFAOYSA-N 2 1 348.494 3.907 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000447557438 1030299086 /nfs/dbraw/zinc/29/90/86/1030299086.db2.gz LULMWFACBJIHAL-XMSQKQJNSA-N 2 1 349.522 3.961 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447589488 1030327262 /nfs/dbraw/zinc/32/72/62/1030327262.db2.gz XWOXHPSFBDSHQF-LJDSDSDDSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]([N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1(C)CC1 ZINC000091900657 1030330349 /nfs/dbraw/zinc/33/03/49/1030330349.db2.gz PCMPYSHDORUFFY-KRWDZBQOSA-N 2 1 329.532 3.837 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000482346969 1030345567 /nfs/dbraw/zinc/34/55/67/1030345567.db2.gz BXFOAISSNRFWBY-CVEARBPZSA-N 2 1 343.515 3.687 20 0 EHADMP COc1ccc(C[NH+]2CCC(CNc3cccc(C)[nH+]3)CC2)cc1 ZINC000157286484 1030425163 /nfs/dbraw/zinc/42/51/63/1030425163.db2.gz DHJXFHUIGSUTIC-UHFFFAOYSA-N 2 1 325.456 3.723 20 0 EHADMP CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](CC)CC)cc1 ZINC000550847943 1030529534 /nfs/dbraw/zinc/52/95/34/1030529534.db2.gz QVBWLIINHLDRMU-WMQCIHAUSA-N 2 1 331.548 3.562 20 0 EHADMP C(C1CCCC1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000151116831 1030537895 /nfs/dbraw/zinc/53/78/95/1030537895.db2.gz DMBAXCBXGAZZPI-HXUWFJFHSA-N 2 1 333.564 3.638 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1F ZINC000583727523 1030569146 /nfs/dbraw/zinc/56/91/46/1030569146.db2.gz CILZLIVSWZLYRG-UHFFFAOYSA-N 2 1 343.446 3.901 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000482629348 1030592936 /nfs/dbraw/zinc/59/29/36/1030592936.db2.gz MMYCLLPLEPVUQS-KAGYGMCKSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482629348 1030592948 /nfs/dbraw/zinc/59/29/48/1030592948.db2.gz MMYCLLPLEPVUQS-KAGYGMCKSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000482629348 1030592955 /nfs/dbraw/zinc/59/29/55/1030592955.db2.gz MMYCLLPLEPVUQS-KAGYGMCKSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)cc1 ZINC000650751662 1030678708 /nfs/dbraw/zinc/67/87/08/1030678708.db2.gz YOWZCJBCKMRFIQ-DNVCBOLYSA-N 2 1 332.451 3.868 20 0 EHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883241 1030761306 /nfs/dbraw/zinc/76/13/06/1030761306.db2.gz WVMVBJRYKLFAID-HKBOAZHASA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000448163020 1030766028 /nfs/dbraw/zinc/76/60/28/1030766028.db2.gz DKMQANQVUCTUMT-MRXNPFEDSA-N 2 1 344.528 3.663 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000448163020 1030766041 /nfs/dbraw/zinc/76/60/41/1030766041.db2.gz DKMQANQVUCTUMT-MRXNPFEDSA-N 2 1 344.528 3.663 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000650757833 1030801148 /nfs/dbraw/zinc/80/11/48/1030801148.db2.gz BVATYLAUPJZAJR-INIZCTEOSA-N 3 1 334.467 3.751 20 0 EHADMP C[C@@H]1C[C@H](N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000482959505 1030851050 /nfs/dbraw/zinc/85/10/50/1030851050.db2.gz LZTVSXARTAPSEB-DUXKGJEZSA-N 2 1 343.559 3.532 20 0 EHADMP C[C@@H]1C[C@H](N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000482959505 1030851073 /nfs/dbraw/zinc/85/10/73/1030851073.db2.gz LZTVSXARTAPSEB-DUXKGJEZSA-N 2 1 343.559 3.532 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CN2CCc3ccccc3C2)C(C)(C)C)CCN1C ZINC000482959505 1030851122 /nfs/dbraw/zinc/85/11/22/1030851122.db2.gz LZTVSXARTAPSEB-DUXKGJEZSA-N 2 1 343.559 3.532 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000551008707 1030883759 /nfs/dbraw/zinc/88/37/59/1030883759.db2.gz ZAHZKDJDIHUIOC-HJNYFJLDSA-N 2 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008707 1030883776 /nfs/dbraw/zinc/88/37/76/1030883776.db2.gz ZAHZKDJDIHUIOC-HJNYFJLDSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008707 1030883796 /nfs/dbraw/zinc/88/37/96/1030883796.db2.gz ZAHZKDJDIHUIOC-HJNYFJLDSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008707 1030883817 /nfs/dbraw/zinc/88/38/17/1030883817.db2.gz ZAHZKDJDIHUIOC-HJNYFJLDSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008707 1030883835 /nfs/dbraw/zinc/88/38/35/1030883835.db2.gz ZAHZKDJDIHUIOC-HJNYFJLDSA-N 3 1 343.559 3.924 20 0 EHADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000157992525 1030998725 /nfs/dbraw/zinc/99/87/25/1030998725.db2.gz WJGAUXFEOPMQRZ-SFHVURJKSA-N 2 1 333.435 3.870 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116397108 1031111895 /nfs/dbraw/zinc/11/18/95/1031111895.db2.gz MGUBNUAQHDYMPL-ZWKOTPCHSA-N 2 1 347.547 3.895 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509664 1031198667 /nfs/dbraw/zinc/19/86/67/1031198667.db2.gz YEQRIIFAEHJAKY-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509664 1031198674 /nfs/dbraw/zinc/19/86/74/1031198674.db2.gz YEQRIIFAEHJAKY-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509664 1031198684 /nfs/dbraw/zinc/19/86/84/1031198684.db2.gz YEQRIIFAEHJAKY-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509664 1031198696 /nfs/dbraw/zinc/19/86/96/1031198696.db2.gz YEQRIIFAEHJAKY-BBRMVZONSA-N 2 1 343.298 3.788 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527861747 1031340788 /nfs/dbraw/zinc/34/07/88/1031340788.db2.gz ZGEILSPYPVZGPK-GOSISDBHSA-N 2 1 340.870 3.557 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483926835 1031395836 /nfs/dbraw/zinc/39/58/36/1031395836.db2.gz PPJCLWDMLPQHPQ-AWEZNQCLSA-N 2 1 328.859 3.522 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000483926835 1031395853 /nfs/dbraw/zinc/39/58/53/1031395853.db2.gz PPJCLWDMLPQHPQ-AWEZNQCLSA-N 2 1 328.859 3.522 20 0 EHADMP Clc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC000666993774 1031402659 /nfs/dbraw/zinc/40/26/59/1031402659.db2.gz INZHQNNOQWBUCD-GFCCVEGCSA-N 2 1 343.696 3.867 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484140955 1031466987 /nfs/dbraw/zinc/46/69/87/1031466987.db2.gz GTLBMIBMAJTNFN-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484140955 1031466999 /nfs/dbraw/zinc/46/69/99/1031466999.db2.gz GTLBMIBMAJTNFN-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484140961 1031467396 /nfs/dbraw/zinc/46/73/96/1031467396.db2.gz GTLBMIBMAJTNFN-XMSQKQJNSA-N 2 1 338.495 3.537 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484140961 1031467405 /nfs/dbraw/zinc/46/74/05/1031467405.db2.gz GTLBMIBMAJTNFN-XMSQKQJNSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161638 1031479764 /nfs/dbraw/zinc/47/97/64/1031479764.db2.gz NJUVGGDJBKVNNW-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161638 1031479773 /nfs/dbraw/zinc/47/97/73/1031479773.db2.gz NJUVGGDJBKVNNW-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(C(F)(F)F)c1 ZINC000484281290 1031508302 /nfs/dbraw/zinc/50/83/02/1031508302.db2.gz JXFAAQLDLDSJPB-CWRNSKLLSA-N 2 1 344.421 3.935 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000177486872 1031546143 /nfs/dbraw/zinc/54/61/43/1031546143.db2.gz VTUQTQGVLIDJDO-NRFANRHFSA-N 2 1 330.516 3.933 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343592972 1031551143 /nfs/dbraw/zinc/55/11/43/1031551143.db2.gz AHGWPPMOCVTAMQ-HKUYNNGSSA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343592972 1031551156 /nfs/dbraw/zinc/55/11/56/1031551156.db2.gz AHGWPPMOCVTAMQ-HKUYNNGSSA-N 2 1 344.890 3.551 20 0 EHADMP CC(C)n1ccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158832982 1031671468 /nfs/dbraw/zinc/67/14/68/1031671468.db2.gz JEWXMPPJOCERDS-GOSISDBHSA-N 2 1 332.536 3.941 20 0 EHADMP CC(C)n1ccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158832982 1031671474 /nfs/dbraw/zinc/67/14/74/1031671474.db2.gz JEWXMPPJOCERDS-GOSISDBHSA-N 2 1 332.536 3.941 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000178697887 1031714251 /nfs/dbraw/zinc/71/42/51/1031714251.db2.gz LVQVWMGDZDNTBK-SUMWQHHRSA-N 2 1 333.863 3.985 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2cccc(Br)c2)C1 ZINC000551898417 1031749255 /nfs/dbraw/zinc/74/92/55/1031749255.db2.gz UURNZAQZUXWGTF-LSDHHAIUSA-N 2 1 339.321 3.873 20 0 EHADMP CN(CC[N@@H+](C)Cc1ccc(C(C)(C)C)s1)C1CC[NH+](C)CC1 ZINC000584164809 1031843111 /nfs/dbraw/zinc/84/31/11/1031843111.db2.gz CRYDGEUQIIYJJU-UHFFFAOYSA-N 2 1 337.577 3.503 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449013348 1032022289 /nfs/dbraw/zinc/02/22/89/1032022289.db2.gz CASBPZAIUFNSIO-UHFFFAOYSA-N 2 1 332.488 3.544 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449013348 1032022303 /nfs/dbraw/zinc/02/23/03/1032022303.db2.gz CASBPZAIUFNSIO-UHFFFAOYSA-N 2 1 332.488 3.544 20 0 EHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939902 1032026500 /nfs/dbraw/zinc/02/65/00/1032026500.db2.gz KWIZOYWLMKHRPU-TZIWHRDSSA-N 3 1 343.559 3.609 20 0 EHADMP CCC1(C[NH2+][C@@H]2CCN(C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537939902 1032026517 /nfs/dbraw/zinc/02/65/17/1032026517.db2.gz KWIZOYWLMKHRPU-TZIWHRDSSA-N 2 1 343.559 3.609 20 0 EHADMP CC(C)(C)n1cc(C[NH2+]CC2([NH3+])CC2)c(-c2ccccc2Cl)n1 ZINC000904442588 1032052013 /nfs/dbraw/zinc/05/20/13/1032052013.db2.gz FNCGOPXPVFYAEI-UHFFFAOYSA-N 2 1 332.879 3.539 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000574670966 1033330247 /nfs/dbraw/zinc/33/02/47/1033330247.db2.gz KEJHTTPSHYUNKU-LSDHHAIUSA-N 2 1 339.911 3.762 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000574670966 1033330264 /nfs/dbraw/zinc/33/02/64/1033330264.db2.gz KEJHTTPSHYUNKU-LSDHHAIUSA-N 2 1 339.911 3.762 20 0 EHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457293 1033346922 /nfs/dbraw/zinc/34/69/22/1033346922.db2.gz AAWVAYXABXNYAT-FPOVZHCZSA-N 2 1 335.580 3.859 20 0 EHADMP COc1ccc(CC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000120170618 1033409665 /nfs/dbraw/zinc/40/96/65/1033409665.db2.gz IGWYYGIFEDMBHQ-UHFFFAOYSA-N 2 1 341.499 3.935 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)cc1 ZINC000191614176 1033457040 /nfs/dbraw/zinc/45/70/40/1033457040.db2.gz SRKJXXNXPAHTHB-UWJYYQICSA-N 2 1 349.478 3.743 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOc1ccccc1 ZINC000460353793 1033546471 /nfs/dbraw/zinc/54/64/71/1033546471.db2.gz RFJVIQJTQCMTMA-NGRWLJPCSA-N 2 1 338.495 3.812 20 0 EHADMP Cc1nc(C)c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000685566083 1033568825 /nfs/dbraw/zinc/56/88/25/1033568825.db2.gz VJVXIJHHWZARCN-NRFANRHFSA-N 2 1 339.483 3.780 20 0 EHADMP Clc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655765164 1033641270 /nfs/dbraw/zinc/64/12/70/1033641270.db2.gz ZQVWXMMBAGZEHS-VDGAXYAQSA-N 2 1 348.918 3.819 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 ZINC000595071248 1033646025 /nfs/dbraw/zinc/64/60/25/1033646025.db2.gz QATMGGLVKNFRTO-ZIIKPNHKSA-N 2 1 345.512 3.521 20 0 EHADMP COC(=O)CC1CCC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000599031992 1033661474 /nfs/dbraw/zinc/66/14/74/1033661474.db2.gz SVEVRARVMXINIB-ZJRDLVKKSA-N 2 1 346.515 3.609 20 0 EHADMP CC(C)[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289589530 1033703170 /nfs/dbraw/zinc/70/31/70/1033703170.db2.gz AVQNCZNPTWZBLM-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289589530 1033703185 /nfs/dbraw/zinc/70/31/85/1033703185.db2.gz AVQNCZNPTWZBLM-NRFANRHFSA-N 3 1 343.559 3.751 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289589530 1033703197 /nfs/dbraw/zinc/70/31/97/1033703197.db2.gz AVQNCZNPTWZBLM-NRFANRHFSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988643 1033751209 /nfs/dbraw/zinc/75/12/09/1033751209.db2.gz JCGGTVCIDQQQLL-HKUYNNGSSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988643 1033751227 /nfs/dbraw/zinc/75/12/27/1033751227.db2.gz JCGGTVCIDQQQLL-HKUYNNGSSA-N 2 1 330.516 3.570 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550621922 1033751831 /nfs/dbraw/zinc/75/18/31/1033751831.db2.gz PQPWFURVKFNDQP-NWSQWKLXSA-N 2 1 349.522 3.938 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550621922 1033751847 /nfs/dbraw/zinc/75/18/47/1033751847.db2.gz PQPWFURVKFNDQP-NWSQWKLXSA-N 2 1 349.522 3.938 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550628573 1033759471 /nfs/dbraw/zinc/75/94/71/1033759471.db2.gz JGKQRQUOXIQFFN-RTWAWAEBSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989727 1033814504 /nfs/dbraw/zinc/81/45/04/1033814504.db2.gz LSZDSTQAEFAHJH-WBVHZDCISA-N 2 1 340.458 3.547 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989727 1033814520 /nfs/dbraw/zinc/81/45/20/1033814520.db2.gz LSZDSTQAEFAHJH-WBVHZDCISA-N 2 1 340.458 3.547 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CO1 ZINC000658061811 1033876677 /nfs/dbraw/zinc/87/66/77/1033876677.db2.gz VPEWTVQNXZQFCV-MTQWCTHYSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658097175 1033929784 /nfs/dbraw/zinc/92/97/84/1033929784.db2.gz VNYQFXZOOZTGBW-GHTZIAJQSA-N 2 1 343.559 3.544 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230306 1034089697 /nfs/dbraw/zinc/08/96/97/1034089697.db2.gz XTHHVCFAVSTNKG-IAGOWNOFSA-N 2 1 340.515 3.881 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230306 1034089713 /nfs/dbraw/zinc/08/97/13/1034089713.db2.gz XTHHVCFAVSTNKG-IAGOWNOFSA-N 2 1 340.515 3.881 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000120786652 1034105691 /nfs/dbraw/zinc/10/56/91/1034105691.db2.gz DKXZHZXHKWIMLT-QGZVFWFLSA-N 2 1 341.503 3.573 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCOC1 ZINC000658319835 1034196758 /nfs/dbraw/zinc/19/67/58/1034196758.db2.gz JMIVQDZMNYJVIV-HKBOAZHASA-N 2 1 342.527 3.693 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450468486 1034382158 /nfs/dbraw/zinc/38/21/58/1034382158.db2.gz OGQJVRPQCJQFSN-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000450468486 1034382178 /nfs/dbraw/zinc/38/21/78/1034382178.db2.gz OGQJVRPQCJQFSN-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468486 1034382190 /nfs/dbraw/zinc/38/21/90/1034382190.db2.gz OGQJVRPQCJQFSN-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468486 1034382199 /nfs/dbraw/zinc/38/21/99/1034382199.db2.gz OGQJVRPQCJQFSN-CJNGLKHVSA-N 2 1 325.294 3.672 20 0 EHADMP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000534349797 1034424047 /nfs/dbraw/zinc/42/40/47/1034424047.db2.gz DIMSSWMAZICKPJ-OAQYLSRUSA-N 2 1 330.516 3.777 20 0 EHADMP COCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000534349797 1034424063 /nfs/dbraw/zinc/42/40/63/1034424063.db2.gz DIMSSWMAZICKPJ-OAQYLSRUSA-N 2 1 330.516 3.777 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000534339259 1034435220 /nfs/dbraw/zinc/43/52/20/1034435220.db2.gz CEOAFZIGUNOGMJ-UHFFFAOYSA-N 2 1 333.520 3.811 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000340185877 1034443220 /nfs/dbraw/zinc/44/32/20/1034443220.db2.gz QECJZTWZAVKVBQ-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000340185877 1034443223 /nfs/dbraw/zinc/44/32/23/1034443223.db2.gz QECJZTWZAVKVBQ-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340224496 1034476154 /nfs/dbraw/zinc/47/61/54/1034476154.db2.gz AMQLCWSAMYUHOK-PMACEKPBSA-N 2 1 338.499 3.699 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340224496 1034476165 /nfs/dbraw/zinc/47/61/65/1034476165.db2.gz AMQLCWSAMYUHOK-PMACEKPBSA-N 2 1 338.499 3.699 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257375 1034481258 /nfs/dbraw/zinc/48/12/58/1034481258.db2.gz WFDSRICLLYINMB-SLFFLAALSA-N 2 1 340.515 3.913 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257375 1034481268 /nfs/dbraw/zinc/48/12/68/1034481268.db2.gz WFDSRICLLYINMB-SLFFLAALSA-N 2 1 340.515 3.913 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340315595 1034483580 /nfs/dbraw/zinc/48/35/80/1034483580.db2.gz HWGLFBZCMYRNQE-YZGWKJHDSA-N 2 1 330.516 3.600 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340315595 1034483585 /nfs/dbraw/zinc/48/35/85/1034483585.db2.gz HWGLFBZCMYRNQE-YZGWKJHDSA-N 2 1 330.516 3.600 20 0 EHADMP CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](CC)CC ZINC000605425229 1034724830 /nfs/dbraw/zinc/72/48/30/1034724830.db2.gz CWFZACYVUIBWIX-YLJYHZDGSA-N 2 1 345.531 3.977 20 0 EHADMP CCc1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000450767583 1034761661 /nfs/dbraw/zinc/76/16/61/1034761661.db2.gz VIBASBJFYGGSJL-UWJYYQICSA-N 2 1 341.499 3.670 20 0 EHADMP CCc1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000450767583 1034761678 /nfs/dbraw/zinc/76/16/78/1034761678.db2.gz VIBASBJFYGGSJL-UWJYYQICSA-N 2 1 341.499 3.670 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000390553552 1034763034 /nfs/dbraw/zinc/76/30/34/1034763034.db2.gz KSTFFUORTGOHDR-LPNMDPTFSA-N 2 1 328.500 3.728 20 0 EHADMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC000450939196 1034961197 /nfs/dbraw/zinc/96/11/97/1034961197.db2.gz PXAOSCRTTXINJZ-KRWDZBQOSA-N 2 1 331.529 3.930 20 0 EHADMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC000450939196 1034961212 /nfs/dbraw/zinc/96/12/12/1034961212.db2.gz PXAOSCRTTXINJZ-KRWDZBQOSA-N 2 1 331.529 3.930 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343824450 1034971751 /nfs/dbraw/zinc/97/17/51/1034971751.db2.gz YOCMESQSNYMBOU-NXEZZACHSA-N 2 1 332.395 3.654 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063308 1035425356 /nfs/dbraw/zinc/42/53/56/1035425356.db2.gz MFNIZRGTRIMGBA-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063308 1035425358 /nfs/dbraw/zinc/42/53/58/1035425358.db2.gz MFNIZRGTRIMGBA-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414085925 1035467452 /nfs/dbraw/zinc/46/74/52/1035467452.db2.gz YZBSFOAEHIZHAK-KZNAEPCWSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000282278415 1035592916 /nfs/dbraw/zinc/59/29/16/1035592916.db2.gz RONUYJNMFLYJBQ-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000282278415 1035592928 /nfs/dbraw/zinc/59/29/28/1035592928.db2.gz RONUYJNMFLYJBQ-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP Fc1ccc(CC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1F ZINC000414125267 1035635816 /nfs/dbraw/zinc/63/58/16/1035635816.db2.gz CQMYOTPVJCNZHV-UHFFFAOYSA-N 2 1 334.454 3.846 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000282486018 1035825698 /nfs/dbraw/zinc/82/56/98/1035825698.db2.gz MDRLBRNANXAEQY-LEWJYISDSA-N 2 1 338.495 3.610 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000282486018 1035825717 /nfs/dbraw/zinc/82/57/17/1035825717.db2.gz MDRLBRNANXAEQY-LEWJYISDSA-N 2 1 338.495 3.610 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064328 1035947878 /nfs/dbraw/zinc/94/78/78/1035947878.db2.gz NHNGCZIPKUUNFW-OAHLLOKOSA-N 2 1 341.902 3.547 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000414188614 1035957901 /nfs/dbraw/zinc/95/79/01/1035957901.db2.gz QMKAWWLABJREFT-MBOZVWFJSA-N 2 1 334.479 3.615 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157119 1035993310 /nfs/dbraw/zinc/99/33/10/1035993310.db2.gz DRZITPFKAWRJQL-HXUWFJFHSA-N 2 1 341.543 3.648 20 0 EHADMP C[N@H+](CCCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157119 1035993331 /nfs/dbraw/zinc/99/33/31/1035993331.db2.gz DRZITPFKAWRJQL-HXUWFJFHSA-N 3 1 341.543 3.648 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157119 1035993348 /nfs/dbraw/zinc/99/33/48/1035993348.db2.gz DRZITPFKAWRJQL-HXUWFJFHSA-N 3 1 341.543 3.648 20 0 EHADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157119 1035993361 /nfs/dbraw/zinc/99/33/61/1035993361.db2.gz DRZITPFKAWRJQL-HXUWFJFHSA-N 3 1 341.543 3.648 20 0 EHADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157119 1035993380 /nfs/dbraw/zinc/99/33/80/1035993380.db2.gz DRZITPFKAWRJQL-HXUWFJFHSA-N 3 1 341.543 3.648 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000541246177 1036116142 /nfs/dbraw/zinc/11/61/42/1036116142.db2.gz IAEQDMBFJQHECN-UHFFFAOYSA-N 2 1 328.504 3.897 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000414233387 1036197132 /nfs/dbraw/zinc/19/71/32/1036197132.db2.gz IMDDPAKGJPHAOL-PZBISTMVSA-N 2 1 330.516 3.833 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000414233387 1036197141 /nfs/dbraw/zinc/19/71/41/1036197141.db2.gz IMDDPAKGJPHAOL-PZBISTMVSA-N 2 1 330.516 3.833 20 0 EHADMP CCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(C)n1 ZINC000892570796 1036197958 /nfs/dbraw/zinc/19/79/58/1036197958.db2.gz OSGGDAQZLPAPDD-KRWDZBQOSA-N 2 1 340.515 3.876 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1CCCO1 ZINC000541545552 1036423899 /nfs/dbraw/zinc/42/38/99/1036423899.db2.gz IMIICFHEBBHFEU-BMQTXXJKSA-N 2 1 330.516 3.822 20 0 EHADMP CCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000892595986 1036439171 /nfs/dbraw/zinc/43/91/71/1036439171.db2.gz CQZCTGRSNJLBFY-MIGBEJBISA-N 2 1 332.488 3.760 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)CC3 ZINC000572743123 1036478956 /nfs/dbraw/zinc/47/89/56/1036478956.db2.gz KDAXBDLWLHWHFZ-FHTPNYMGSA-N 2 1 337.511 3.796 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000398112342 1036522073 /nfs/dbraw/zinc/52/20/73/1036522073.db2.gz OEJSGUPOMTYXCM-ZIBCJSCZSA-N 2 1 342.527 3.834 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000398112342 1036522091 /nfs/dbraw/zinc/52/20/91/1036522091.db2.gz OEJSGUPOMTYXCM-ZIBCJSCZSA-N 2 1 342.527 3.834 20 0 EHADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000535508709 1036571153 /nfs/dbraw/zinc/57/11/53/1036571153.db2.gz RVJKSYVRNWASJZ-CQSZACIVSA-N 2 1 331.685 3.631 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000192831242 1036556529 /nfs/dbraw/zinc/55/65/29/1036556529.db2.gz DSLWFKIPDJVSRV-FRIKZZABSA-N 3 1 341.543 3.633 20 0 EHADMP CC1CC[NH+](Cc2cccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CC1 ZINC000192831242 1036556545 /nfs/dbraw/zinc/55/65/45/1036556545.db2.gz DSLWFKIPDJVSRV-FRIKZZABSA-N 2 1 341.543 3.633 20 0 EHADMP CC1CC[NH+](Cc2cccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000192831242 1036556561 /nfs/dbraw/zinc/55/65/61/1036556561.db2.gz DSLWFKIPDJVSRV-FRIKZZABSA-N 2 1 341.543 3.633 20 0 EHADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCC2)o1 ZINC000541733000 1036600677 /nfs/dbraw/zinc/60/06/77/1036600677.db2.gz AMMGKBPOGMSZSR-JXFKEZNVSA-N 2 1 332.488 3.520 20 0 EHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000653279644 1036601299 /nfs/dbraw/zinc/60/12/99/1036601299.db2.gz XYXKYJROEVMDER-DNVCBOLYSA-N 2 1 328.431 3.716 20 0 EHADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999492 1036693665 /nfs/dbraw/zinc/69/36/65/1036693665.db2.gz LWHQTGUJKYLEQO-UHFFFAOYSA-N 2 1 326.484 3.821 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414337362 1036738159 /nfs/dbraw/zinc/73/81/59/1036738159.db2.gz XJPGATMNFVAHOW-LBPRGKRZSA-N 2 1 325.378 3.945 20 0 EHADMP CSC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000590053604 1036739692 /nfs/dbraw/zinc/73/96/92/1036739692.db2.gz SZPONBDHCDAVRJ-LJQANCHMSA-N 2 1 348.556 3.736 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647536666 1036992867 /nfs/dbraw/zinc/99/28/67/1036992867.db2.gz SRYMAPCRFVHNRC-HXUWFJFHSA-N 2 1 328.431 3.575 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000590786448 1037057182 /nfs/dbraw/zinc/05/71/82/1037057182.db2.gz XTFLVEBHJDRDML-UHFFFAOYSA-N 2 1 326.431 3.840 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544228 1037097738 /nfs/dbraw/zinc/09/77/38/1037097738.db2.gz YJNJFYAZWKFXDP-RTBURBONSA-N 2 1 338.499 3.597 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000542150678 1037115503 /nfs/dbraw/zinc/11/55/03/1037115503.db2.gz DSCWGLKNSOWUPO-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000539850242 1037279199 /nfs/dbraw/zinc/27/91/99/1037279199.db2.gz IKICCERGMZMODR-KRWDZBQOSA-N 2 1 332.513 3.834 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000532463005 1037372965 /nfs/dbraw/zinc/37/29/65/1037372965.db2.gz GXEONJGKXUHEIG-JKIFEVAISA-N 2 1 328.422 3.956 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796783 1037411941 /nfs/dbraw/zinc/41/19/41/1037411941.db2.gz WTVFLIOGCHJRBE-GOSISDBHSA-N 2 1 346.515 3.806 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796783 1037411950 /nfs/dbraw/zinc/41/19/50/1037411950.db2.gz WTVFLIOGCHJRBE-GOSISDBHSA-N 2 1 346.515 3.806 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796783 1037411954 /nfs/dbraw/zinc/41/19/54/1037411954.db2.gz WTVFLIOGCHJRBE-GOSISDBHSA-N 2 1 346.515 3.806 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462796783 1037411966 /nfs/dbraw/zinc/41/19/66/1037411966.db2.gz WTVFLIOGCHJRBE-GOSISDBHSA-N 2 1 346.515 3.806 20 0 EHADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000462811335 1037416669 /nfs/dbraw/zinc/41/66/69/1037416669.db2.gz MAVVIBDNCYPWGU-VQTJNVASSA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491359175 1037420870 /nfs/dbraw/zinc/42/08/70/1037420870.db2.gz JPHIKKJKNRDRTB-UHFFFAOYSA-N 2 1 330.516 3.544 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168432847 1037460220 /nfs/dbraw/zinc/46/02/20/1037460220.db2.gz ZAQDSYYKTGCFDF-IBGZPJMESA-N 2 1 339.458 3.625 20 0 EHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423503138 1037516117 /nfs/dbraw/zinc/51/61/17/1037516117.db2.gz MPKFKDOCPLQDCT-NNWRFLSQSA-N 2 1 337.511 3.674 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccn1 ZINC000532508864 1037535680 /nfs/dbraw/zinc/53/56/80/1037535680.db2.gz PATQVCXXTJTSKR-VXIBKDFQSA-N 2 1 333.520 3.713 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccn1 ZINC000532508864 1037535691 /nfs/dbraw/zinc/53/56/91/1037535691.db2.gz PATQVCXXTJTSKR-VXIBKDFQSA-N 2 1 333.520 3.713 20 0 EHADMP CC1CCC(Oc2cc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000532511301 1037553968 /nfs/dbraw/zinc/55/39/68/1037553968.db2.gz ROUVWLYGQMLKKX-FKVWROMMSA-N 2 1 345.531 3.857 20 0 EHADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000532511301 1037553978 /nfs/dbraw/zinc/55/39/78/1037553978.db2.gz ROUVWLYGQMLKKX-FKVWROMMSA-N 2 1 345.531 3.857 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303576561 1037573133 /nfs/dbraw/zinc/57/31/33/1037573133.db2.gz JTZACVSEWDOAOT-HKUYNNGSSA-N 2 1 345.531 3.793 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303576561 1037573144 /nfs/dbraw/zinc/57/31/44/1037573144.db2.gz JTZACVSEWDOAOT-HKUYNNGSSA-N 2 1 345.531 3.793 20 0 EHADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OCc1ccccc1 ZINC000491600116 1037577974 /nfs/dbraw/zinc/57/79/74/1037577974.db2.gz YVFBUCGTXOESMV-QGZVFWFLSA-N 2 1 342.483 3.562 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000540172823 1037641424 /nfs/dbraw/zinc/64/14/24/1037641424.db2.gz XOEKSLONDMHJSC-JQVVWYNYSA-N 2 1 344.543 3.795 20 0 EHADMP C[C@@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929800 1037726266 /nfs/dbraw/zinc/72/62/66/1037726266.db2.gz ZTEQVOAYWZPPSH-FYZZASKESA-N 2 1 342.527 3.834 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000573741407 1037740611 /nfs/dbraw/zinc/74/06/11/1037740611.db2.gz PDPKMKVNOUVMSD-UHFFFAOYSA-N 2 1 348.288 3.784 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124963 1037776638 /nfs/dbraw/zinc/77/66/38/1037776638.db2.gz VJRNMQLQEJWIKZ-NQIIRXRSSA-N 2 1 337.511 3.895 20 0 EHADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCC1 ZINC000463131601 1037793536 /nfs/dbraw/zinc/79/35/36/1037793536.db2.gz KTMGIZDSKRZSPY-BVSLBCMMSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](NCC[NH+]2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463140170 1037804489 /nfs/dbraw/zinc/80/44/89/1037804489.db2.gz VFBWHSBTMAHHDZ-TZIWHRDSSA-N 2 1 329.532 3.505 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245064 1037929990 /nfs/dbraw/zinc/92/99/90/1037929990.db2.gz AQNLNVYMKXYFJW-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245064 1037930009 /nfs/dbraw/zinc/93/00/09/1037930009.db2.gz AQNLNVYMKXYFJW-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000463245064 1037930027 /nfs/dbraw/zinc/93/00/27/1037930027.db2.gz AQNLNVYMKXYFJW-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463245064 1037930062 /nfs/dbraw/zinc/93/00/62/1037930062.db2.gz AQNLNVYMKXYFJW-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000463245064 1037930077 /nfs/dbraw/zinc/93/00/77/1037930077.db2.gz AQNLNVYMKXYFJW-SYYKKAFVSA-N 2 1 341.543 3.646 20 0 EHADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000378180711 1038149209 /nfs/dbraw/zinc/14/92/09/1038149209.db2.gz ADPRGPYYSQPLHM-APWZRJJASA-N 2 1 349.482 3.914 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168258053 1038335448 /nfs/dbraw/zinc/33/54/48/1038335448.db2.gz XCSTUFOLZTUMMQ-IHPCNDPISA-N 2 1 328.500 3.677 20 0 EHADMP CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C(C)C ZINC000163965299 1038473622 /nfs/dbraw/zinc/47/36/22/1038473622.db2.gz DHIPWHUTNPJRFT-OAQYLSRUSA-N 2 1 348.531 3.700 20 0 EHADMP c1ccc(OCC2CC2)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538799619 1038536692 /nfs/dbraw/zinc/53/66/92/1038536692.db2.gz OTNDYDZARTWPQZ-NQIIRXRSSA-N 2 1 340.511 3.924 20 0 EHADMP CCc1onc(C)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226459 1038587923 /nfs/dbraw/zinc/58/79/23/1038587923.db2.gz RJZQZJLRGJYYCR-QFBILLFUSA-N 2 1 341.499 3.936 20 0 EHADMP COC[C@H](CC(C)C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539039476 1038648469 /nfs/dbraw/zinc/64/84/69/1038648469.db2.gz CHLYDAQMCFTYLJ-GIVPXCGWSA-N 2 1 332.532 3.938 20 0 EHADMP CCn1cc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000539042047 1038649456 /nfs/dbraw/zinc/64/94/56/1038649456.db2.gz BVPGONAFUHEOKC-CMKODMSKSA-N 2 1 340.515 3.854 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323173 1038697399 /nfs/dbraw/zinc/69/73/99/1038697399.db2.gz GGFLRGHLNFUQBV-WFASDCNBSA-N 2 1 331.287 3.582 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCCC3)nc2)CC1 ZINC000924688079 1038737431 /nfs/dbraw/zinc/73/74/31/1038737431.db2.gz LGOZXJLUUXUPTQ-UHFFFAOYSA-N 2 1 344.547 3.672 20 0 EHADMP COc1ccnc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000924830574 1038911998 /nfs/dbraw/zinc/91/19/98/1038911998.db2.gz ZECGVJUAAGUEBS-INIZCTEOSA-N 2 1 327.472 3.781 20 0 EHADMP CCC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074002 1038924901 /nfs/dbraw/zinc/92/49/01/1038924901.db2.gz LMGNVBZOEPSUGC-REPLKXPHSA-N 2 1 342.531 3.820 20 0 EHADMP CCC[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074002 1038924911 /nfs/dbraw/zinc/92/49/11/1038924911.db2.gz LMGNVBZOEPSUGC-REPLKXPHSA-N 2 1 342.531 3.820 20 0 EHADMP Cc1ccc(-c2cccc(C[N@H+](CCO)C3CCN(C)CC3)c2)cc1 ZINC000155496412 1038962771 /nfs/dbraw/zinc/96/27/71/1038962771.db2.gz AIXONLUSHRRQJE-UHFFFAOYSA-N 2 1 338.495 3.551 20 0 EHADMP COCCSCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000488208004 1038964812 /nfs/dbraw/zinc/96/48/12/1038964812.db2.gz ZYZZALYHHXHIBR-SFHVURJKSA-N 2 1 342.593 3.733 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000479999394 1039018447 /nfs/dbraw/zinc/01/84/47/1039018447.db2.gz PRFAJYFKUGVXSS-UHFFFAOYSA-N 2 1 332.488 3.604 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000185323098 1039077492 /nfs/dbraw/zinc/07/74/92/1039077492.db2.gz DHIPSQZQGRCSRR-CYBMUJFWSA-N 2 1 325.840 3.602 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000552249595 1039093770 /nfs/dbraw/zinc/09/37/70/1039093770.db2.gz DTWDQZPLFBFVHU-SLFFLAALSA-N 2 1 343.515 3.756 20 0 EHADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000643527271 1039128879 /nfs/dbraw/zinc/12/88/79/1039128879.db2.gz KVAYXMXMXBHBOZ-PELKAZGASA-N 2 1 339.199 3.856 20 0 EHADMP C[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480091184 1039140691 /nfs/dbraw/zinc/14/06/91/1039140691.db2.gz KKQYFGHXFUEHQC-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CS1 ZINC000488420101 1039157989 /nfs/dbraw/zinc/15/79/89/1039157989.db2.gz ICGZYVQTMQKMAK-PMACEKPBSA-N 2 1 332.557 3.813 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000480097395 1039172188 /nfs/dbraw/zinc/17/21/88/1039172188.db2.gz SNHSNBGORFPXPZ-LPHOPBHVSA-N 2 1 338.923 3.609 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCSc1ccc(F)cc1F ZINC000660115928 1039186392 /nfs/dbraw/zinc/18/63/92/1039186392.db2.gz DBUHMILEEXULGE-UHFFFAOYSA-N 2 1 325.428 3.584 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCSc1ccc(F)cc1F ZINC000660115928 1039186407 /nfs/dbraw/zinc/18/64/07/1039186407.db2.gz DBUHMILEEXULGE-UHFFFAOYSA-N 2 1 325.428 3.584 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4COC5(CCC5)C4)C[C@@H]3C2)cc1 ZINC000898517850 1039187663 /nfs/dbraw/zinc/18/76/63/1039187663.db2.gz UVKABILRNFDJIS-BQJUDKOJSA-N 2 1 340.511 3.588 20 0 EHADMP CSC1(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898519010 1039188932 /nfs/dbraw/zinc/18/89/32/1039188932.db2.gz MKHLEODRCMVNTL-QYZOEREBSA-N 2 1 330.541 3.772 20 0 EHADMP COc1cccc(SCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000660113676 1039197537 /nfs/dbraw/zinc/19/75/37/1039197537.db2.gz COCVVIASBRGNLQ-OXQOHEQNSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113676 1039197545 /nfs/dbraw/zinc/19/75/45/1039197545.db2.gz COCVVIASBRGNLQ-OXQOHEQNSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113676 1039197561 /nfs/dbraw/zinc/19/75/61/1039197561.db2.gz COCVVIASBRGNLQ-OXQOHEQNSA-N 2 1 346.540 3.736 20 0 EHADMP COC1CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898523045 1039199734 /nfs/dbraw/zinc/19/97/34/1039199734.db2.gz XOVOUSIVULTYDZ-YSJRPZDFSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)ccc1F ZINC000237353323 1039347774 /nfs/dbraw/zinc/34/77/74/1039347774.db2.gz XXWWSFUABBRDSH-NSHDSACASA-N 2 1 340.240 3.519 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186400306 1039357872 /nfs/dbraw/zinc/35/78/72/1039357872.db2.gz OBDHDUJNHAFARW-SFHVURJKSA-N 2 1 346.515 3.789 20 0 EHADMP Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000488736665 1039363401 /nfs/dbraw/zinc/36/34/01/1039363401.db2.gz VMDKYABNAVMDFX-AWEZNQCLSA-N 2 1 327.447 3.993 20 0 EHADMP CCN(C)c1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000480277303 1039385297 /nfs/dbraw/zinc/38/52/97/1039385297.db2.gz KOVUHEYFZPGYFZ-UHFFFAOYSA-N 2 1 332.536 3.672 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485703113 1039450213 /nfs/dbraw/zinc/45/02/13/1039450213.db2.gz FJZRBTKXCGBUGH-KDOFPFPSSA-N 2 1 342.886 3.706 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485703113 1039450222 /nfs/dbraw/zinc/45/02/22/1039450222.db2.gz FJZRBTKXCGBUGH-KDOFPFPSSA-N 2 1 342.886 3.706 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193621 1039474679 /nfs/dbraw/zinc/47/46/79/1039474679.db2.gz QQOPBKYOAWXYGZ-UZLBHIALSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193621 1039474690 /nfs/dbraw/zinc/47/46/90/1039474690.db2.gz QQOPBKYOAWXYGZ-UZLBHIALSA-N 2 1 327.447 3.784 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000667681259 1039600197 /nfs/dbraw/zinc/60/01/97/1039600197.db2.gz DWOJQWUVJXENJF-KRWDZBQOSA-N 2 1 329.513 3.892 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000667681259 1039600207 /nfs/dbraw/zinc/60/02/07/1039600207.db2.gz DWOJQWUVJXENJF-KRWDZBQOSA-N 2 1 329.513 3.892 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000667681259 1039600217 /nfs/dbraw/zinc/60/02/17/1039600217.db2.gz DWOJQWUVJXENJF-KRWDZBQOSA-N 2 1 329.513 3.892 20 0 EHADMP Fc1c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1OC1CC1 ZINC000667708710 1039769996 /nfs/dbraw/zinc/76/99/96/1039769996.db2.gz KEUVEHGIKGMEFK-DNVCBOLYSA-N 2 1 344.474 3.816 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1 ZINC000554874123 1039872605 /nfs/dbraw/zinc/87/26/05/1039872605.db2.gz BJNQSLBLZRPSED-UZLBHIALSA-N 2 1 344.499 3.606 20 0 EHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000480698199 1039921773 /nfs/dbraw/zinc/92/17/73/1039921773.db2.gz LYWSFRCAIIJMHA-FVJLSDCUSA-N 2 1 330.516 3.679 20 0 EHADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480746550 1039984889 /nfs/dbraw/zinc/98/48/89/1039984889.db2.gz ROQYZJJJJUJVGP-GCJKJVERSA-N 2 1 338.495 3.738 20 0 EHADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480746550 1039984901 /nfs/dbraw/zinc/98/49/01/1039984901.db2.gz ROQYZJJJJUJVGP-GCJKJVERSA-N 2 1 338.495 3.738 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087017 1040056174 /nfs/dbraw/zinc/05/61/74/1040056174.db2.gz RHTFYYFWCIDQBG-IBGZPJMESA-N 2 1 340.515 3.571 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087017 1040056186 /nfs/dbraw/zinc/05/61/86/1040056186.db2.gz RHTFYYFWCIDQBG-IBGZPJMESA-N 2 1 340.515 3.571 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087017 1040056202 /nfs/dbraw/zinc/05/62/02/1040056202.db2.gz RHTFYYFWCIDQBG-IBGZPJMESA-N 2 1 340.515 3.571 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000894087017 1040056217 /nfs/dbraw/zinc/05/62/17/1040056217.db2.gz RHTFYYFWCIDQBG-IBGZPJMESA-N 2 1 340.515 3.571 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562781 1040088891 /nfs/dbraw/zinc/08/88/91/1040088891.db2.gz VZRRYJPDUZFHER-OXJNMPFZSA-N 2 1 328.500 3.711 20 0 EHADMP C[NH+](Cc1cccc(C[N@H+](C)[C@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000245874129 1040204511 /nfs/dbraw/zinc/20/45/11/1040204511.db2.gz MJSLMTACQWABNQ-ROUUACIJSA-N 2 1 336.570 3.561 20 0 EHADMP C[N@@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000489875848 1040232091 /nfs/dbraw/zinc/23/20/91/1040232091.db2.gz AWTNUSNDVLVQDQ-IBGZPJMESA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1ccc(F)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489875848 1040232104 /nfs/dbraw/zinc/23/21/04/1040232104.db2.gz AWTNUSNDVLVQDQ-IBGZPJMESA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1ccc(F)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000489875848 1040232119 /nfs/dbraw/zinc/23/21/19/1040232119.db2.gz AWTNUSNDVLVQDQ-IBGZPJMESA-N 2 1 344.449 3.961 20 0 EHADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000486646192 1040306145 /nfs/dbraw/zinc/30/61/45/1040306145.db2.gz RNPIWVFZUNBUSR-UGSOOPFHSA-N 2 1 347.409 3.675 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCCC4)[C@H]3C2)cc1 ZINC000512624148 1040331051 /nfs/dbraw/zinc/33/10/51/1040331051.db2.gz HXKRBRMLVGVBPK-BVSLBCMMSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCCC4)[C@@H]3C2)cc1 ZINC000512624151 1040331271 /nfs/dbraw/zinc/33/12/71/1040331271.db2.gz HXKRBRMLVGVBPK-KSEOMHKRSA-N 2 1 342.527 3.836 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166539933 1040332353 /nfs/dbraw/zinc/33/23/53/1040332353.db2.gz NFVBGEWIRUNUIL-ZDUSSCGKSA-N 2 1 348.288 3.558 20 0 EHADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000490070569 1040332529 /nfs/dbraw/zinc/33/25/29/1040332529.db2.gz XHAIINGWQQXFLV-SFHVURJKSA-N 2 1 335.879 3.945 20 0 EHADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000490070569 1040332548 /nfs/dbraw/zinc/33/25/48/1040332548.db2.gz XHAIINGWQQXFLV-SFHVURJKSA-N 2 1 335.879 3.945 20 0 EHADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166538318 1040333063 /nfs/dbraw/zinc/33/30/63/1040333063.db2.gz RWHBNPLGMKSMNU-CQSZACIVSA-N 2 1 348.288 3.701 20 0 EHADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166538318 1040333082 /nfs/dbraw/zinc/33/30/82/1040333082.db2.gz RWHBNPLGMKSMNU-CQSZACIVSA-N 2 1 348.288 3.701 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512654646 1040416285 /nfs/dbraw/zinc/41/62/85/1040416285.db2.gz NSIIJZFRCSDUSA-BHIFYINESA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654646 1040416292 /nfs/dbraw/zinc/41/62/92/1040416292.db2.gz NSIIJZFRCSDUSA-BHIFYINESA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654646 1040416297 /nfs/dbraw/zinc/41/62/97/1040416297.db2.gz NSIIJZFRCSDUSA-BHIFYINESA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512654646 1040416301 /nfs/dbraw/zinc/41/63/01/1040416301.db2.gz NSIIJZFRCSDUSA-BHIFYINESA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512654646 1040416309 /nfs/dbraw/zinc/41/63/09/1040416309.db2.gz NSIIJZFRCSDUSA-BHIFYINESA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654646 1040416313 /nfs/dbraw/zinc/41/63/13/1040416313.db2.gz NSIIJZFRCSDUSA-BHIFYINESA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654646 1040416323 /nfs/dbraw/zinc/41/63/23/1040416323.db2.gz NSIIJZFRCSDUSA-BHIFYINESA-N 3 1 343.559 3.607 20 0 EHADMP CCOC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411275573 1040642427 /nfs/dbraw/zinc/64/24/27/1040642427.db2.gz GADMXBXJTTUPEY-OAQYLSRUSA-N 2 1 330.516 3.921 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C2CC2)[NH+](C)C)cc1F ZINC000481304474 1040644887 /nfs/dbraw/zinc/64/48/87/1040644887.db2.gz IWODTXSMYOWCHI-QXAKKESOSA-N 2 1 334.479 3.790 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000411287945 1040676834 /nfs/dbraw/zinc/67/68/34/1040676834.db2.gz ZTFSJPMKDYFPAY-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000411287945 1040676850 /nfs/dbraw/zinc/67/68/50/1040676850.db2.gz ZTFSJPMKDYFPAY-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000549881778 1040894914 /nfs/dbraw/zinc/89/49/14/1040894914.db2.gz AGZJSGWNEMZLHD-FQEVSTJZSA-N 2 1 342.527 3.838 20 0 EHADMP Fc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491061118 1040898220 /nfs/dbraw/zinc/89/82/20/1040898220.db2.gz ZAQHXEGPXKLMHU-GOSISDBHSA-N 2 1 334.479 3.793 20 0 EHADMP Fc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491061118 1040898227 /nfs/dbraw/zinc/89/82/27/1040898227.db2.gz ZAQHXEGPXKLMHU-GOSISDBHSA-N 2 1 334.479 3.793 20 0 EHADMP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000487553966 1040939333 /nfs/dbraw/zinc/93/93/33/1040939333.db2.gz QMEKPKOVDIRIGN-WBVHZDCISA-N 2 1 334.479 3.967 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001212145235 1041148552 /nfs/dbraw/zinc/14/85/52/1041148552.db2.gz PELLYTCIPSMRMN-HNNXBMFYSA-N 2 1 345.491 3.597 20 0 EHADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000629582550 1041228779 /nfs/dbraw/zinc/22/87/79/1041228779.db2.gz UKOWHYMQGQSECN-YCPHGPKFSA-N 2 1 337.305 3.627 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000571329240 1041267673 /nfs/dbraw/zinc/26/76/73/1041267673.db2.gz ZGELMMGXAGPSSI-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1Br ZINC000571329240 1041267689 /nfs/dbraw/zinc/26/76/89/1041267689.db2.gz ZGELMMGXAGPSSI-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Br ZINC000571329240 1041267703 /nfs/dbraw/zinc/26/77/03/1041267703.db2.gz ZGELMMGXAGPSSI-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Br ZINC000571329240 1041267711 /nfs/dbraw/zinc/26/77/11/1041267711.db2.gz ZGELMMGXAGPSSI-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1)C1CC1 ZINC000571402437 1041286666 /nfs/dbraw/zinc/28/66/66/1041286666.db2.gz UITHKWANNMSXTO-UHFFFAOYSA-N 2 1 349.478 3.569 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000500423648 1041433216 /nfs/dbraw/zinc/43/32/16/1041433216.db2.gz BJKVKPWNIMFMKA-UHFFFAOYSA-N 2 1 342.433 3.948 20 0 EHADMP CC(C)[N@@H+](CCc1nccs1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093764112 1041445000 /nfs/dbraw/zinc/44/50/00/1041445000.db2.gz XJWFPVSTPWGSEP-UHFFFAOYSA-N 2 1 347.528 3.537 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000301961639 1041652698 /nfs/dbraw/zinc/65/26/98/1041652698.db2.gz UXZJOPVQPVMWPC-FQEVSTJZSA-N 2 1 328.500 3.732 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000301961641 1041652957 /nfs/dbraw/zinc/65/29/57/1041652957.db2.gz UXZJOPVQPVMWPC-HXUWFJFHSA-N 2 1 328.500 3.732 20 0 EHADMP c1cnn(-c2ccc(C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)cc2)c1 ZINC000660674630 1041767841 /nfs/dbraw/zinc/76/78/41/1041767841.db2.gz SQBDJPYNYXLJEX-UHFFFAOYSA-N 2 1 346.478 3.627 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@H]([NH+]3CCCC3)C2)c2ccccn21 ZINC000651620656 1041800685 /nfs/dbraw/zinc/80/06/85/1041800685.db2.gz MCRARJMKFBEDOA-KRWDZBQOSA-N 2 1 326.488 3.518 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccccn21 ZINC000651643499 1041828150 /nfs/dbraw/zinc/82/81/50/1041828150.db2.gz CLZDLRNIAWKKSY-GOSISDBHSA-N 2 1 340.515 3.908 20 0 EHADMP C[C@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786344 1042032672 /nfs/dbraw/zinc/03/26/72/1042032672.db2.gz SZGMTJWFCQMKPN-BBRMVZONSA-N 2 1 340.870 3.557 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2C)[C@H](C)C1 ZINC000652239697 1042285483 /nfs/dbraw/zinc/28/54/83/1042285483.db2.gz ABTJVNCNLAPTDO-BVOGOJNSSA-N 2 1 330.516 3.578 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000388575981 1042524291 /nfs/dbraw/zinc/52/42/91/1042524291.db2.gz IBQAPIWXXQRGON-ZIAGYGMSSA-N 2 1 327.310 3.698 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000388575981 1042524296 /nfs/dbraw/zinc/52/42/96/1042524296.db2.gz IBQAPIWXXQRGON-ZIAGYGMSSA-N 2 1 327.310 3.698 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662150786 1042546155 /nfs/dbraw/zinc/54/61/55/1042546155.db2.gz BBZLSCOQUSOREG-JXFKEZNVSA-N 2 1 330.516 3.576 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662150786 1042546160 /nfs/dbraw/zinc/54/61/60/1042546160.db2.gz BBZLSCOQUSOREG-JXFKEZNVSA-N 2 1 330.516 3.576 20 0 EHADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nsc2c1 ZINC000662273814 1042650300 /nfs/dbraw/zinc/65/03/00/1042650300.db2.gz PRBKDPLMLDOLQV-JKSUJKDBSA-N 2 1 329.513 3.550 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000662287116 1042659452 /nfs/dbraw/zinc/65/94/52/1042659452.db2.gz WFNBDMQIPZZRJJ-MIUGBVLSSA-N 2 1 342.527 3.789 20 0 EHADMP Clc1cnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293792 1042663347 /nfs/dbraw/zinc/66/33/47/1042663347.db2.gz NVDUKGHSGXVMEQ-CYBMUJFWSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293792 1042663351 /nfs/dbraw/zinc/66/33/51/1042663351.db2.gz NVDUKGHSGXVMEQ-CYBMUJFWSA-N 2 1 328.287 3.600 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(-c2ccncc2)c1 ZINC000278863454 1042667550 /nfs/dbraw/zinc/66/75/50/1042667550.db2.gz BEBGWCRGECWINA-IAGOWNOFSA-N 2 1 332.451 3.858 20 0 EHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327511 1042690583 /nfs/dbraw/zinc/69/05/83/1042690583.db2.gz PYARDRKOODLFKU-VQIMIIECSA-N 2 1 344.547 3.882 20 0 EHADMP Fc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1OC(F)F ZINC000663343671 1042727463 /nfs/dbraw/zinc/72/74/63/1042727463.db2.gz AUECQFGNJSUGKJ-AWEZNQCLSA-N 2 1 342.405 3.639 20 0 EHADMP Fc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1OC(F)F ZINC000663343671 1042727467 /nfs/dbraw/zinc/72/74/67/1042727467.db2.gz AUECQFGNJSUGKJ-AWEZNQCLSA-N 2 1 342.405 3.639 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000644843033 1042856454 /nfs/dbraw/zinc/85/64/54/1042856454.db2.gz BBMSNZBBSNKMGM-QFIPXVFZSA-N 2 1 335.495 3.982 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000644843033 1042856455 /nfs/dbraw/zinc/85/64/55/1042856455.db2.gz BBMSNZBBSNKMGM-QFIPXVFZSA-N 2 1 335.495 3.982 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000644843033 1042856457 /nfs/dbraw/zinc/85/64/57/1042856457.db2.gz BBMSNZBBSNKMGM-QFIPXVFZSA-N 2 1 335.495 3.982 20 0 EHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470236 1042898549 /nfs/dbraw/zinc/89/85/49/1042898549.db2.gz UCDCZEOOPNRARD-QUCCMNQESA-N 2 1 328.500 3.920 20 0 EHADMP CC1(C)C[C@]1(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000663477466 1042910968 /nfs/dbraw/zinc/91/09/68/1042910968.db2.gz ROKKZWNXNFXCEJ-UNMCSNQZSA-N 2 1 342.527 3.587 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](CNc3[nH+]ccc4[nH]ccc43)C2)c1 ZINC000663483717 1042927511 /nfs/dbraw/zinc/92/75/11/1042927511.db2.gz RRAKXKPNLWBNSF-AWEZNQCLSA-N 2 1 326.469 3.949 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000512046141 1043038347 /nfs/dbraw/zinc/03/83/47/1043038347.db2.gz QRSHQUIJQZDBNK-KRWDZBQOSA-N 2 1 326.484 3.953 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001167838437 1043044455 /nfs/dbraw/zinc/04/44/55/1043044455.db2.gz UODYXRJLMMLAIM-IBGZPJMESA-N 2 1 349.538 3.844 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167838688 1043044955 /nfs/dbraw/zinc/04/49/55/1043044955.db2.gz VZSWWYBSDYENPP-IFMALSPDSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167838688 1043044962 /nfs/dbraw/zinc/04/49/62/1043044962.db2.gz VZSWWYBSDYENPP-IFMALSPDSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167838688 1043044970 /nfs/dbraw/zinc/04/49/70/1043044970.db2.gz VZSWWYBSDYENPP-IFMALSPDSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167838688 1043044977 /nfs/dbraw/zinc/04/49/77/1043044977.db2.gz VZSWWYBSDYENPP-IFMALSPDSA-N 2 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167838688 1043044988 /nfs/dbraw/zinc/04/49/88/1043044988.db2.gz VZSWWYBSDYENPP-IFMALSPDSA-N 2 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001167837924 1043047960 /nfs/dbraw/zinc/04/79/60/1043047960.db2.gz NYJKNXIPTQAPCC-GOSISDBHSA-N 2 1 340.515 3.741 20 0 EHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Cl)s1 ZINC000343984140 1043056618 /nfs/dbraw/zinc/05/66/18/1043056618.db2.gz LYSZBIHNLHVADJ-GFCCVEGCSA-N 2 1 339.892 3.588 20 0 EHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3cccc(Cl)c3)C2)CCCO1 ZINC000432411303 1043122751 /nfs/dbraw/zinc/12/27/51/1043122751.db2.gz XEITZMQLXCELAO-DMKPSLHHSA-N 2 1 336.907 3.677 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3cccc(Cl)c3)C2)CCCO1 ZINC000432411303 1043122755 /nfs/dbraw/zinc/12/27/55/1043122755.db2.gz XEITZMQLXCELAO-DMKPSLHHSA-N 2 1 336.907 3.677 20 0 EHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(C)ccc1OC ZINC000432414178 1043132276 /nfs/dbraw/zinc/13/22/76/1043132276.db2.gz QURALRYLOPKTPL-MJGOQNOKSA-N 2 1 334.504 3.545 20 0 EHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(C)ccc1OC ZINC000432414178 1043132279 /nfs/dbraw/zinc/13/22/79/1043132279.db2.gz QURALRYLOPKTPL-MJGOQNOKSA-N 2 1 334.504 3.545 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccccc1)[C@@H](C)CC(=O)OC ZINC001167841990 1043141945 /nfs/dbraw/zinc/14/19/45/1043141945.db2.gz VLFQYHASTPFIPI-OALUTQOASA-N 2 1 348.531 3.951 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1(C)C ZINC000344052222 1043163698 /nfs/dbraw/zinc/16/36/98/1043163698.db2.gz JUQNHJDEBDBJQZ-ROUUACIJSA-N 2 1 331.435 3.613 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000279015507 1043193443 /nfs/dbraw/zinc/19/34/43/1043193443.db2.gz UDVOMPAWYRFZBP-HOTGVXAUSA-N 2 1 327.472 3.974 20 0 EHADMP C[C@H](O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000658359553 1043231709 /nfs/dbraw/zinc/23/17/09/1043231709.db2.gz DPQJYXNAHBWUHC-USNOLKROSA-N 2 1 330.516 3.741 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638721116 1043306516 /nfs/dbraw/zinc/30/65/16/1043306516.db2.gz XMODGLCMZMLISZ-QUCCMNQESA-N 2 1 328.500 3.761 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638721116 1043306532 /nfs/dbraw/zinc/30/65/32/1043306532.db2.gz XMODGLCMZMLISZ-QUCCMNQESA-N 2 1 328.500 3.761 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000643294925 1043350321 /nfs/dbraw/zinc/35/03/21/1043350321.db2.gz RWIAEHRYDPRUAP-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000344289879 1043600873 /nfs/dbraw/zinc/60/08/73/1043600873.db2.gz LLZCLSGNZCCNSF-FQEVSTJZSA-N 2 1 326.484 3.631 20 0 EHADMP CCOc1ccc([C@@H](CC)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000163299692 1043925842 /nfs/dbraw/zinc/92/58/42/1043925842.db2.gz VIVJVXCLVYIYSZ-SJLPKXTDSA-N 2 1 334.504 3.867 20 0 EHADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573301 1044477787 /nfs/dbraw/zinc/47/77/87/1044477787.db2.gz MEPBSLVXIBAJDC-FBRLZHCOSA-N 2 1 335.495 3.631 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512290753 1044559205 /nfs/dbraw/zinc/55/92/05/1044559205.db2.gz AIWKLJJTICXQAQ-OAQYLSRUSA-N 2 1 343.559 3.705 20 0 EHADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000261622201 1044718915 /nfs/dbraw/zinc/71/89/15/1044718915.db2.gz GFUJRPVINKORDM-NJDAHSKKSA-N 2 1 329.532 3.539 20 0 EHADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282575283 1044762189 /nfs/dbraw/zinc/76/21/89/1044762189.db2.gz ZEHCBNUFMNOMCP-OAQYLSRUSA-N 2 1 343.559 3.750 20 0 EHADMP FC(F)(F)COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000620757961 1125695584 /nfs/dbraw/zinc/69/55/84/1125695584.db2.gz ICMPNUJBJHZXMV-UHFFFAOYSA-N 2 1 342.405 3.734 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185308419 1126861746 /nfs/dbraw/zinc/86/17/46/1126861746.db2.gz GLELMWOKXOMPAK-OAHLLOKOSA-N 2 1 339.867 3.706 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185308419 1126861751 /nfs/dbraw/zinc/86/17/51/1126861751.db2.gz GLELMWOKXOMPAK-OAHLLOKOSA-N 2 1 339.867 3.706 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000623336978 1126918679 /nfs/dbraw/zinc/91/86/79/1126918679.db2.gz QFTOOCOCLIPKBU-IUODEOHRSA-N 2 1 325.294 3.973 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccccc2OCC(F)(F)F)CC1(C)C ZINC000623370939 1126932879 /nfs/dbraw/zinc/93/28/79/1126932879.db2.gz FTBQXOVDBDMDRI-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC1(C)C ZINC000623370939 1126932880 /nfs/dbraw/zinc/93/28/80/1126932880.db2.gz FTBQXOVDBDMDRI-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC1(C)C ZINC000623370939 1126932883 /nfs/dbraw/zinc/93/28/83/1126932883.db2.gz FTBQXOVDBDMDRI-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623372095 1126937336 /nfs/dbraw/zinc/93/73/36/1126937336.db2.gz DAVWFAYVHWUQSW-QGZVFWFLSA-N 2 1 330.516 3.969 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623441150 1126956114 /nfs/dbraw/zinc/95/61/14/1126956114.db2.gz FRMFHIKVUBFFHT-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441150 1126956116 /nfs/dbraw/zinc/95/61/16/1126956116.db2.gz FRMFHIKVUBFFHT-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000623441150 1126956119 /nfs/dbraw/zinc/95/61/19/1126956119.db2.gz FRMFHIKVUBFFHT-HOJAQTOUSA-N 2 1 329.532 3.502 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1(C)C ZINC000623470626 1126962944 /nfs/dbraw/zinc/96/29/44/1126962944.db2.gz TXSJZHWFUVPOCC-MRXNPFEDSA-N 2 1 344.421 3.728 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476238 1126963788 /nfs/dbraw/zinc/96/37/88/1126963788.db2.gz UHUPUELOWPFPCW-SQNIBIBYSA-N 2 1 335.923 3.548 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623502857 1126972095 /nfs/dbraw/zinc/97/20/95/1126972095.db2.gz BGEXUCGODAAKMD-HNNXBMFYSA-N 2 1 325.294 3.720 20 0 EHADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623525546 1126975107 /nfs/dbraw/zinc/97/51/07/1126975107.db2.gz RCNAMLBKVTYYHL-ICSRJNTNSA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525546 1126975115 /nfs/dbraw/zinc/97/51/15/1126975115.db2.gz RCNAMLBKVTYYHL-ICSRJNTNSA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525546 1126975119 /nfs/dbraw/zinc/97/51/19/1126975119.db2.gz RCNAMLBKVTYYHL-ICSRJNTNSA-N 2 1 347.547 3.539 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537876 1126979803 /nfs/dbraw/zinc/97/98/03/1126979803.db2.gz MBIZJVBFCCKMHE-CVEARBPZSA-N 2 1 344.421 3.591 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537876 1126979806 /nfs/dbraw/zinc/97/98/06/1126979806.db2.gz MBIZJVBFCCKMHE-CVEARBPZSA-N 2 1 344.421 3.591 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657603 1127006685 /nfs/dbraw/zinc/00/66/85/1127006685.db2.gz VIWYOYXMBXMSCC-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657603 1127006689 /nfs/dbraw/zinc/00/66/89/1127006689.db2.gz VIWYOYXMBXMSCC-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP COc1ccccc1C[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178707016 1127025482 /nfs/dbraw/zinc/02/54/82/1127025482.db2.gz MMUAAZMXEUUWMV-VQIMIIECSA-N 2 1 329.488 3.693 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123238 1127256524 /nfs/dbraw/zinc/25/65/24/1127256524.db2.gz IJGWCANKZXAZJZ-GDBMZVCRSA-N 2 1 328.422 3.958 20 0 EHADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120638 1127255474 /nfs/dbraw/zinc/25/54/74/1127255474.db2.gz DAUSHINFHNETMY-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1sccc1Br ZINC000624120638 1127255477 /nfs/dbraw/zinc/25/54/77/1127255477.db2.gz DAUSHINFHNETMY-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120638 1127255479 /nfs/dbraw/zinc/25/54/79/1127255479.db2.gz DAUSHINFHNETMY-RYUDHWBXSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[C@H](C)O1 ZINC000369214303 1127421471 /nfs/dbraw/zinc/42/14/71/1127421471.db2.gz KMYWPVOGDYJHHM-HNJRGHQBSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@H](C)O1 ZINC000369214303 1127421472 /nfs/dbraw/zinc/42/14/72/1127421472.db2.gz KMYWPVOGDYJHHM-HNJRGHQBSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1cnn(CCCCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185762391 1127431213 /nfs/dbraw/zinc/43/12/13/1127431213.db2.gz AVDUKIWJQYGMNH-MOPGFXCFSA-N 2 1 332.536 3.604 20 0 EHADMP COc1ccc(OCCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758827 1127431637 /nfs/dbraw/zinc/43/16/37/1127431637.db2.gz FUVOFRWECQSSPN-QZTJIDSGSA-N 2 1 346.515 3.707 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382410709 1127508757 /nfs/dbraw/zinc/50/87/57/1127508757.db2.gz FXQSKSDUYDCVGH-QXAKKESOSA-N 2 1 330.516 3.833 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000765358990 1127601248 /nfs/dbraw/zinc/60/12/48/1127601248.db2.gz JMYRWUOMQKYMSY-QKLQHJQFSA-N 2 1 336.495 3.656 20 0 EHADMP CCc1[nH]nc(Cl)c1CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000921527255 1127669164 /nfs/dbraw/zinc/66/91/64/1127669164.db2.gz KILXPKPWFFAOIW-UHFFFAOYSA-N 2 1 334.895 3.756 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000921527255 1127669166 /nfs/dbraw/zinc/66/91/66/1127669166.db2.gz KILXPKPWFFAOIW-UHFFFAOYSA-N 2 1 334.895 3.756 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000921527255 1127669167 /nfs/dbraw/zinc/66/91/67/1127669167.db2.gz KILXPKPWFFAOIW-UHFFFAOYSA-N 2 1 334.895 3.756 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1F ZINC000921589743 1127758259 /nfs/dbraw/zinc/75/82/59/1127758259.db2.gz OGJHCDLKZFUQDJ-OKZBNKHCSA-N 2 1 343.446 3.615 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@@H]1CCCCO1 ZINC000347537943 1128055237 /nfs/dbraw/zinc/05/52/37/1128055237.db2.gz ITLOFKMQHSDMCT-FQEVSTJZSA-N 2 1 331.504 3.579 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000069754358 1128291569 /nfs/dbraw/zinc/29/15/69/1128291569.db2.gz ZYTNVIJCBAQSKP-UHFFFAOYSA-N 2 1 330.432 3.634 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@@H](CCC[NH3+])C3)CCO2)cc1 ZINC001168628804 1128487282 /nfs/dbraw/zinc/48/72/82/1128487282.db2.gz GHSBPOPEALPCMQ-CUWPLCDZSA-N 2 1 346.515 3.756 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000155777680 1128495313 /nfs/dbraw/zinc/49/53/13/1128495313.db2.gz WAEICLQEQXRYHG-OALUTQOASA-N 3 1 343.559 3.738 20 0 EHADMP CCSc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461049 1128517515 /nfs/dbraw/zinc/51/75/15/1128517515.db2.gz NVDXSJSORPKQFJ-RYQLBKOJSA-N 2 1 334.529 3.517 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000921776183 1128751564 /nfs/dbraw/zinc/75/15/64/1128751564.db2.gz MQETZCABGUZKME-HGJKNBTDSA-N 2 1 348.556 3.926 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000921776183 1128751566 /nfs/dbraw/zinc/75/15/66/1128751566.db2.gz MQETZCABGUZKME-HGJKNBTDSA-N 2 1 348.556 3.926 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)[C@@H]1c1cccs1 ZINC000921775131 1128753231 /nfs/dbraw/zinc/75/32/31/1128753231.db2.gz BMGVTASFHGZZDA-HNAYVOBHSA-N 2 1 344.528 3.842 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)[C@@H]1c1cccs1 ZINC000921775131 1128753235 /nfs/dbraw/zinc/75/32/35/1128753235.db2.gz BMGVTASFHGZZDA-HNAYVOBHSA-N 2 1 344.528 3.842 20 0 EHADMP C[C@H](CCNCc1ccnn1C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000921809666 1128782976 /nfs/dbraw/zinc/78/29/76/1128782976.db2.gz GIJPIONNBPUMKQ-QGZVFWFLSA-N 2 1 326.488 3.608 20 0 EHADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC000656198478 1128808291 /nfs/dbraw/zinc/80/82/91/1128808291.db2.gz XDGMYROTJIRFGA-KBPBESRZSA-N 2 1 327.453 3.916 20 0 EHADMP COc1cc(C)c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c(C)n1 ZINC001649005123 1120349276 /nfs/dbraw/zinc/34/92/76/1120349276.db2.gz MQOLQILESZLBJX-UHFFFAOYSA-N 2 1 345.531 3.841 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnn1-c1ccccc1 ZINC000467354334 1120519668 /nfs/dbraw/zinc/51/96/68/1120519668.db2.gz CLJJVRBHFFOIJY-KRWDZBQOSA-N 2 1 326.488 3.645 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000192765357 1120748066 /nfs/dbraw/zinc/74/80/66/1120748066.db2.gz CYKHUMKGVJZQNF-QFIPXVFZSA-N 2 1 341.543 3.554 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccnn1-c1ccccc1 ZINC000467390341 1120751211 /nfs/dbraw/zinc/75/12/11/1120751211.db2.gz OEKHBYJVQGCQTQ-ZWKOTPCHSA-N 2 1 326.488 3.645 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000236902801 1121468506 /nfs/dbraw/zinc/46/85/06/1121468506.db2.gz ZIKMBDTZDSWKOM-LEWJYISDSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000762926389 1121525650 /nfs/dbraw/zinc/52/56/50/1121525650.db2.gz QFMYFZGTMQJPBL-RTWAWAEBSA-N 2 1 341.499 3.950 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000762926389 1121525659 /nfs/dbraw/zinc/52/56/59/1121525659.db2.gz QFMYFZGTMQJPBL-RTWAWAEBSA-N 2 1 341.499 3.950 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000125743322 1122332348 /nfs/dbraw/zinc/33/23/48/1122332348.db2.gz IFEUZSPWSXEJRE-CZUORRHYSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000125743322 1122332352 /nfs/dbraw/zinc/33/23/52/1122332352.db2.gz IFEUZSPWSXEJRE-CZUORRHYSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000125743322 1122332357 /nfs/dbraw/zinc/33/23/57/1122332357.db2.gz IFEUZSPWSXEJRE-CZUORRHYSA-N 2 1 325.294 3.611 20 0 EHADMP C[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000556094025 1122809562 /nfs/dbraw/zinc/80/95/62/1122809562.db2.gz ONFCPBFQSAKMEZ-AQNXPRMDSA-N 2 1 331.548 3.778 20 0 EHADMP CN1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000556094025 1122809566 /nfs/dbraw/zinc/80/95/66/1122809566.db2.gz ONFCPBFQSAKMEZ-AQNXPRMDSA-N 2 1 331.548 3.778 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000556105015 1122815474 /nfs/dbraw/zinc/81/54/74/1122815474.db2.gz PQOCJVOTJKCYKN-MJGOQNOKSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000556105015 1122815481 /nfs/dbraw/zinc/81/54/81/1122815481.db2.gz PQOCJVOTJKCYKN-MJGOQNOKSA-N 2 1 346.421 3.769 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)[C@H](C)C1 ZINC000130487408 1122954785 /nfs/dbraw/zinc/95/47/85/1122954785.db2.gz HKIDPOJMWFAOGP-RDTXWAMCSA-N 2 1 346.906 3.892 20 0 EHADMP Cc1nccn1CCC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000130937805 1123023774 /nfs/dbraw/zinc/02/37/74/1123023774.db2.gz VLFQORCPSVWPSP-UHFFFAOYSA-N 2 1 341.377 3.611 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000130937805 1123023780 /nfs/dbraw/zinc/02/37/80/1123023780.db2.gz VLFQORCPSVWPSP-UHFFFAOYSA-N 2 1 341.377 3.611 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000130937805 1123023783 /nfs/dbraw/zinc/02/37/83/1123023783.db2.gz VLFQORCPSVWPSP-UHFFFAOYSA-N 2 1 341.377 3.611 20 0 EHADMP CCc1cnc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000556622934 1123064350 /nfs/dbraw/zinc/06/43/50/1123064350.db2.gz RVMIAAFNHDGUJR-UHFFFAOYSA-N 2 1 339.483 3.725 20 0 EHADMP CCc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000556622934 1123064355 /nfs/dbraw/zinc/06/43/55/1123064355.db2.gz RVMIAAFNHDGUJR-UHFFFAOYSA-N 2 1 339.483 3.725 20 0 EHADMP CCc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000556622934 1123064361 /nfs/dbraw/zinc/06/43/61/1123064361.db2.gz RVMIAAFNHDGUJR-UHFFFAOYSA-N 2 1 339.483 3.725 20 0 EHADMP COCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556858884 1123155489 /nfs/dbraw/zinc/15/54/89/1123155489.db2.gz OWOYYAINHHHATQ-PCCBWWKXSA-N 2 1 330.516 3.693 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556887089 1123168386 /nfs/dbraw/zinc/16/83/86/1123168386.db2.gz YLNVZEWPAHTCMV-WCHWRFHJSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCO)C(C)(C)C)CC1 ZINC000556891944 1123177025 /nfs/dbraw/zinc/17/70/25/1123177025.db2.gz INBJXTNMLKOVDM-SOAGJPPSSA-N 2 1 332.532 3.816 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000556926065 1123208628 /nfs/dbraw/zinc/20/86/28/1123208628.db2.gz VTAIWAGPXBMXPR-INIZCTEOSA-N 2 1 342.405 3.893 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000556926065 1123208630 /nfs/dbraw/zinc/20/86/30/1123208630.db2.gz VTAIWAGPXBMXPR-INIZCTEOSA-N 2 1 342.405 3.893 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@H](C)C1 ZINC000132316930 1123218208 /nfs/dbraw/zinc/21/82/08/1123218208.db2.gz CUNZJRDAIGIIGR-APWZRJJASA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@H](C)C1 ZINC000132316930 1123218213 /nfs/dbraw/zinc/21/82/13/1123218213.db2.gz CUNZJRDAIGIIGR-APWZRJJASA-N 2 1 331.504 3.613 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132432377 1123228768 /nfs/dbraw/zinc/22/87/68/1123228768.db2.gz ICJKYAVDVBGPFX-QGZVFWFLSA-N 2 1 341.421 3.942 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nc1 ZINC000134358747 1123518580 /nfs/dbraw/zinc/51/85/80/1123518580.db2.gz DRBGNTXUGMKDHE-UHFFFAOYSA-N 2 1 335.451 3.905 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000237667746 1123531782 /nfs/dbraw/zinc/53/17/82/1123531782.db2.gz MOOMJDGCBIYDHZ-OKILXGFUSA-N 2 1 345.314 3.972 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000077249055 1123541914 /nfs/dbraw/zinc/54/19/14/1123541914.db2.gz SILPHTLNLBBMHQ-UHFFFAOYSA-N 2 1 339.483 3.577 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000077249055 1123541918 /nfs/dbraw/zinc/54/19/18/1123541918.db2.gz SILPHTLNLBBMHQ-UHFFFAOYSA-N 2 1 339.483 3.577 20 0 EHADMP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)sn1 ZINC000638567946 1123570537 /nfs/dbraw/zinc/57/05/37/1123570537.db2.gz TVDQDCIFTKHBPS-UHFFFAOYSA-N 2 1 345.512 3.673 20 0 EHADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000137073820 1123748866 /nfs/dbraw/zinc/74/88/66/1123748866.db2.gz QWQBNAIIMYSKJH-GFCCVEGCSA-N 2 1 343.696 3.676 20 0 EHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000237846653 1123888532 /nfs/dbraw/zinc/88/85/32/1123888532.db2.gz ZAPASHCTRHHKRY-UHFFFAOYSA-N 2 1 340.515 3.888 20 0 EHADMP CCCCOc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000245686985 1123922978 /nfs/dbraw/zinc/92/29/78/1123922978.db2.gz ASWRHFBISRSVRY-WMZOPIPTSA-N 2 1 334.504 3.789 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000245686985 1123922979 /nfs/dbraw/zinc/92/29/79/1123922979.db2.gz ASWRHFBISRSVRY-WMZOPIPTSA-N 2 1 334.504 3.789 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098427 1129155057 /nfs/dbraw/zinc/15/50/57/1129155057.db2.gz XUFDBHJGYSTUQX-KBAYOESNSA-N 2 1 334.529 3.507 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000453098427 1129155061 /nfs/dbraw/zinc/15/50/61/1129155061.db2.gz XUFDBHJGYSTUQX-KBAYOESNSA-N 2 1 334.529 3.507 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C12CCC2 ZINC000453121126 1129155541 /nfs/dbraw/zinc/15/55/41/1129155541.db2.gz LBGBDACEQRLBBH-SPUZQDLCSA-N 2 1 334.529 3.678 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C12CCC2 ZINC000453121126 1129155543 /nfs/dbraw/zinc/15/55/43/1129155543.db2.gz LBGBDACEQRLBBH-SPUZQDLCSA-N 2 1 334.529 3.678 20 0 EHADMP COC[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000246089464 1124017243 /nfs/dbraw/zinc/01/72/43/1124017243.db2.gz WLOQRTORWMNDOL-RDTXWAMCSA-N 2 1 326.431 3.506 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000246368286 1124097171 /nfs/dbraw/zinc/09/71/71/1124097171.db2.gz JAKGFNIYPIHIBT-DGQTTZFYSA-N 2 1 330.516 3.789 20 0 EHADMP CSc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246457255 1124471520 /nfs/dbraw/zinc/47/15/20/1124471520.db2.gz FGPFAARRTFSYAL-OXJNMPFZSA-N 2 1 346.540 3.736 20 0 EHADMP CSc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246457255 1124471523 /nfs/dbraw/zinc/47/15/23/1124471523.db2.gz FGPFAARRTFSYAL-OXJNMPFZSA-N 2 1 346.540 3.736 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246859204 1124559482 /nfs/dbraw/zinc/55/94/82/1124559482.db2.gz CLGAURDOBMIKQI-ZVXZJYCBSA-N 2 1 330.516 3.781 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000246920337 1124565861 /nfs/dbraw/zinc/56/58/61/1124565861.db2.gz GRYSJHVKSFOPRG-HNAYVOBHSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000246920337 1124565874 /nfs/dbraw/zinc/56/58/74/1124565874.db2.gz GRYSJHVKSFOPRG-HNAYVOBHSA-N 2 1 343.446 3.833 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1F ZINC000247217123 1124595949 /nfs/dbraw/zinc/59/59/49/1124595949.db2.gz XJDAPQPAATXTTP-IAGOWNOFSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000248008027 1124634547 /nfs/dbraw/zinc/63/45/47/1124634547.db2.gz KZPYSVKFAYJWIJ-HIFRSBDPSA-N 2 1 345.314 3.881 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248406669 1124658512 /nfs/dbraw/zinc/65/85/12/1124658512.db2.gz SSRQCSLNXUQMHK-KSEOMHKRSA-N 2 1 335.495 3.780 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248406669 1124658515 /nfs/dbraw/zinc/65/85/15/1124658515.db2.gz SSRQCSLNXUQMHK-KSEOMHKRSA-N 2 1 335.495 3.780 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248411042 1124659258 /nfs/dbraw/zinc/65/92/58/1124659258.db2.gz HVPAIMYUZUGIKR-MTFMMBMASA-N 2 1 330.516 3.690 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2OC)[C@H](C)C1 ZINC000248638242 1124683687 /nfs/dbraw/zinc/68/36/87/1124683687.db2.gz MCMNYLJSLOAADD-OAGGEKHMSA-N 2 1 340.533 3.544 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2OC)[C@H](C)C1 ZINC000248638242 1124683691 /nfs/dbraw/zinc/68/36/91/1124683691.db2.gz MCMNYLJSLOAADD-OAGGEKHMSA-N 2 1 340.533 3.544 20 0 EHADMP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248881415 1124711909 /nfs/dbraw/zinc/71/19/09/1124711909.db2.gz OVXROCKBDLRLSX-PWRODBHTSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC[C@H]3C)cc2)C1 ZINC000249153586 1124741645 /nfs/dbraw/zinc/74/16/45/1124741645.db2.gz VRJDMJLHCASJNV-IIMDRIAPSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000251349175 1124906846 /nfs/dbraw/zinc/90/68/46/1124906846.db2.gz GCRYCSFPMJWEAG-UBHSHLNASA-N 2 1 341.268 3.866 20 0 EHADMP COc1ccc(OC)c([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000090586268 1124923463 /nfs/dbraw/zinc/92/34/63/1124923463.db2.gz NAEQJHVHRZQJRR-IRXDYDNUSA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000090586268 1124923469 /nfs/dbraw/zinc/92/34/69/1124923469.db2.gz NAEQJHVHRZQJRR-IRXDYDNUSA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000090586268 1124923472 /nfs/dbraw/zinc/92/34/72/1124923472.db2.gz NAEQJHVHRZQJRR-IRXDYDNUSA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000090585602 1124923615 /nfs/dbraw/zinc/92/36/15/1124923615.db2.gz SJHZZXLJVJMSHJ-DLBZAZTESA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000090585602 1124923618 /nfs/dbraw/zinc/92/36/18/1124923618.db2.gz SJHZZXLJVJMSHJ-DLBZAZTESA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000090585602 1124923623 /nfs/dbraw/zinc/92/36/23/1124923623.db2.gz SJHZZXLJVJMSHJ-DLBZAZTESA-N 2 1 334.504 3.722 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043445 1125020708 /nfs/dbraw/zinc/02/07/08/1125020708.db2.gz FUOVXQCDCSMERT-NHCUHLMSSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043445 1125020717 /nfs/dbraw/zinc/02/07/17/1125020717.db2.gz FUOVXQCDCSMERT-NHCUHLMSSA-N 2 1 343.559 3.561 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043445 1125020722 /nfs/dbraw/zinc/02/07/22/1125020722.db2.gz FUOVXQCDCSMERT-NHCUHLMSSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2occc2Br)C1 ZINC000735320769 1131331996 /nfs/dbraw/zinc/33/19/96/1131331996.db2.gz MDFQQDJQHJBSKL-CYBMUJFWSA-N 2 1 329.282 3.644 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)oc1C ZINC000282150173 1125118286 /nfs/dbraw/zinc/11/82/86/1125118286.db2.gz LCWJSMJABXHJJY-IAGOWNOFSA-N 2 1 342.483 3.968 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)oc1C ZINC000282150173 1125118291 /nfs/dbraw/zinc/11/82/91/1125118291.db2.gz LCWJSMJABXHJJY-IAGOWNOFSA-N 2 1 342.483 3.968 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]21 ZINC000261884055 1125388788 /nfs/dbraw/zinc/38/87/88/1125388788.db2.gz MXWFQGLCGGUPDH-RRQGHBQHSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]21 ZINC000261884055 1125388790 /nfs/dbraw/zinc/38/87/90/1125388790.db2.gz MXWFQGLCGGUPDH-RRQGHBQHSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707968 1129273330 /nfs/dbraw/zinc/27/33/30/1129273330.db2.gz MIMJZNLVXRFSGZ-QGZVFWFLSA-N 2 1 344.861 3.896 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000466470659 1129474822 /nfs/dbraw/zinc/47/48/22/1129474822.db2.gz AHUYNTDHUCTITB-RBBKRZOGSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817676 1129680411 /nfs/dbraw/zinc/68/04/11/1129680411.db2.gz VQGFOHFIBPWOLP-WOJBJXKFSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817676 1129680412 /nfs/dbraw/zinc/68/04/12/1129680412.db2.gz VQGFOHFIBPWOLP-WOJBJXKFSA-N 2 1 328.500 3.732 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](CC/C=C\c3ccc(Br)cc3)C2)C1 ZINC000428996049 1129681254 /nfs/dbraw/zinc/68/12/54/1129681254.db2.gz AQMZBSCVNQPJQH-VEXQSBSHSA-N 2 1 349.316 3.880 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](CC/C=C\c3ccc(Br)cc3)C2)C1 ZINC000428996049 1129681256 /nfs/dbraw/zinc/68/12/56/1129681256.db2.gz AQMZBSCVNQPJQH-VEXQSBSHSA-N 2 1 349.316 3.880 20 0 EHADMP CCO[C@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000625324964 1129832667 /nfs/dbraw/zinc/83/26/67/1129832667.db2.gz DITLOFIAXLVHCB-OVQGTLEDSA-N 2 1 330.516 3.548 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625652161 1129969029 /nfs/dbraw/zinc/96/90/29/1129969029.db2.gz BSNLJOFEKVBOJR-ZQDZILKHSA-N 2 1 338.433 3.823 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625652161 1129969032 /nfs/dbraw/zinc/96/90/32/1129969032.db2.gz BSNLJOFEKVBOJR-ZQDZILKHSA-N 2 1 338.433 3.823 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000675739287 1130460243 /nfs/dbraw/zinc/46/02/43/1130460243.db2.gz XCMKWAAHTFIPKO-DDHJBXDOSA-N 2 1 346.359 3.968 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000675739287 1130460247 /nfs/dbraw/zinc/46/02/47/1130460247.db2.gz XCMKWAAHTFIPKO-DDHJBXDOSA-N 2 1 346.359 3.968 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000675882595 1130500981 /nfs/dbraw/zinc/50/09/81/1130500981.db2.gz SJAZKLCTKBGUAF-YLJYHZDGSA-N 2 1 328.500 3.642 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000536836666 1130594316 /nfs/dbraw/zinc/59/43/16/1130594316.db2.gz BHTCINWHMLPZIS-WTNAPCKOSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000536836666 1130594321 /nfs/dbraw/zinc/59/43/21/1130594321.db2.gz BHTCINWHMLPZIS-WTNAPCKOSA-N 2 1 341.543 3.806 20 0 EHADMP CC[C@@H](CC(C)C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001172393518 1131729939 /nfs/dbraw/zinc/72/99/39/1131729939.db2.gz YVGVGIIWJKHPOA-KRWDZBQOSA-N 2 1 343.556 3.637 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000180625996 1131790337 /nfs/dbraw/zinc/79/03/37/1131790337.db2.gz VYAMKGHNUPFAHO-OAHLLOKOSA-N 2 1 338.455 3.794 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172751711 1131830655 /nfs/dbraw/zinc/83/06/55/1131830655.db2.gz KNRXYVIDKLMMSI-ULQDDVLXSA-N 2 1 326.525 3.725 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172760037 1131837364 /nfs/dbraw/zinc/83/73/64/1131837364.db2.gz VKYZGTZKDZBTIC-GOSISDBHSA-N 2 1 346.515 3.703 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172760037 1131837373 /nfs/dbraw/zinc/83/73/73/1131837373.db2.gz VKYZGTZKDZBTIC-GOSISDBHSA-N 2 1 346.515 3.703 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001172938073 1131911732 /nfs/dbraw/zinc/91/17/32/1131911732.db2.gz JMVNGCLXZKWACK-NHCUHLMSSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172955171 1131931123 /nfs/dbraw/zinc/93/11/23/1131931123.db2.gz PLWRJRPRJOXDHG-BRWVUGGUSA-N 2 1 341.540 3.612 20 0 EHADMP [NH3+]C1(c2ccccc2F)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173044406 1131940739 /nfs/dbraw/zinc/94/07/39/1131940739.db2.gz BDFJVSHTMCNIFS-UHFFFAOYSA-N 2 1 346.490 3.815 20 0 EHADMP CCCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173090923 1131950759 /nfs/dbraw/zinc/95/07/59/1131950759.db2.gz KCYKXRCMHLUKLK-MWXLCCTBSA-N 2 1 330.516 3.836 20 0 EHADMP CCCOC1CCC([NH+]2CCC([NH3+])(c3ccccc3OC)CC2)CC1 ZINC001173094389 1131951847 /nfs/dbraw/zinc/95/18/47/1131951847.db2.gz WWFYLCGGKBCQBJ-UHFFFAOYSA-N 2 1 346.515 3.683 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173082656 1131961429 /nfs/dbraw/zinc/96/14/29/1131961429.db2.gz NXDBWSMOJCIZHD-GDBMZVCRSA-N 2 1 344.421 3.838 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(c3ncccc3C)CC2)CC1 ZINC001173112302 1131970540 /nfs/dbraw/zinc/97/05/40/1131970540.db2.gz UCUYEMDWEAFPSC-UHFFFAOYSA-N 2 1 344.547 3.555 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001173112300 1131970936 /nfs/dbraw/zinc/97/09/36/1131970936.db2.gz UBAFPCLAHLUKDJ-UHFFFAOYSA-N 2 1 346.515 3.715 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001173113536 1131971839 /nfs/dbraw/zinc/97/18/39/1131971839.db2.gz STZQAGXYYKUGTE-AOCRQIFASA-N 2 1 338.536 3.693 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173131754 1131976615 /nfs/dbraw/zinc/97/66/15/1131976615.db2.gz NBJPFJOIDPLGOS-BRWVUGGUSA-N 2 1 333.545 3.763 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173136136 1131977608 /nfs/dbraw/zinc/97/76/08/1131977608.db2.gz PGMWDPUIIPRZCD-NJAFHUGGSA-N 2 1 341.524 3.501 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173136136 1131977615 /nfs/dbraw/zinc/97/76/15/1131977615.db2.gz PGMWDPUIIPRZCD-NJAFHUGGSA-N 2 1 341.524 3.501 20 0 EHADMP Cc1ccc(OCC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000743873650 1131998376 /nfs/dbraw/zinc/99/83/76/1131998376.db2.gz POVFZXCORMEGNN-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccc(OCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000743873650 1131998388 /nfs/dbraw/zinc/99/83/88/1131998388.db2.gz POVFZXCORMEGNN-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccc(OCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000743873650 1131998396 /nfs/dbraw/zinc/99/83/96/1131998396.db2.gz POVFZXCORMEGNN-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001173258193 1132022083 /nfs/dbraw/zinc/02/20/83/1132022083.db2.gz PJXFBZLOYJZDQL-ZACQAIPSSA-N 2 1 341.540 3.518 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)C1 ZINC001173284640 1132042980 /nfs/dbraw/zinc/04/29/80/1132042980.db2.gz RGRWUOFWSVERCT-UZLBHIALSA-N 2 1 344.499 3.606 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000379657971 1132436841 /nfs/dbraw/zinc/43/68/41/1132436841.db2.gz VALUDZOOVZSNBS-QMMLZNLJSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000379657971 1132436846 /nfs/dbraw/zinc/43/68/46/1132436846.db2.gz VALUDZOOVZSNBS-QMMLZNLJSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379635008 1132437018 /nfs/dbraw/zinc/43/70/18/1132437018.db2.gz VWCMMYLDNCGIFU-WBVHZDCISA-N 2 1 344.421 3.598 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379635008 1132437025 /nfs/dbraw/zinc/43/70/25/1132437025.db2.gz VWCMMYLDNCGIFU-WBVHZDCISA-N 2 1 344.421 3.598 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000381173757 1132474985 /nfs/dbraw/zinc/47/49/85/1132474985.db2.gz YHXFGRHIOQMYAB-PZJWPPBQSA-N 2 1 335.495 3.961 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000381173757 1132474989 /nfs/dbraw/zinc/47/49/89/1132474989.db2.gz YHXFGRHIOQMYAB-PZJWPPBQSA-N 2 1 335.495 3.961 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000385815590 1132503151 /nfs/dbraw/zinc/50/31/51/1132503151.db2.gz NYZBRFPNILFGQH-BURNTYAHSA-N 2 1 342.527 3.692 20 0 EHADMP CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(C[NH+](C)C)cc1 ZINC001175062383 1132538766 /nfs/dbraw/zinc/53/87/66/1132538766.db2.gz ODYWLEOXKMLWHF-UHFFFAOYSA-N 2 1 338.495 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001169098576 1132654255 /nfs/dbraw/zinc/65/42/55/1132654255.db2.gz IPQKPFUVHZOTMN-WKCHPHFGSA-N 2 1 336.479 3.980 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101104 1132655599 /nfs/dbraw/zinc/65/55/99/1132655599.db2.gz OKYDBJLRPUMBAQ-YSTOQKLRSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1)C2 ZINC001169082091 1132657822 /nfs/dbraw/zinc/65/78/22/1132657822.db2.gz XORBSVYBQNACMJ-YMQHIKHWSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1OC2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160803 1132683493 /nfs/dbraw/zinc/68/34/93/1132683493.db2.gz LKJYLVCRYDSWFH-WNRNVDISSA-N 2 1 326.484 3.694 20 0 EHADMP c1ccc(C[N@@H+]2CC=C(Nc3c[nH+]ccc3N3CCCC3)CC2)cc1 ZINC001175504844 1132692062 /nfs/dbraw/zinc/69/20/62/1132692062.db2.gz GPPGQUNUIFHHDD-UHFFFAOYSA-N 2 1 334.467 3.884 20 0 EHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)c2cccc(Br)c2)CC1 ZINC001169264906 1132705711 /nfs/dbraw/zinc/70/57/11/1132705711.db2.gz SXEZOAQVQLIESO-CYBMUJFWSA-N 2 1 325.294 3.926 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)c2cccc(Br)c2)CC1 ZINC001169264906 1132705715 /nfs/dbraw/zinc/70/57/15/1132705715.db2.gz SXEZOAQVQLIESO-CYBMUJFWSA-N 2 1 325.294 3.926 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](c2cncc(C(F)(F)F)c2)C2CC2)CC1 ZINC001169241630 1132707999 /nfs/dbraw/zinc/70/79/99/1132707999.db2.gz XFCOTMVKCRNOON-MRXNPFEDSA-N 2 1 327.394 3.625 20 0 EHADMP C[C@H]1C[N@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011845 1132757598 /nfs/dbraw/zinc/75/75/98/1132757598.db2.gz GTLHBVSMIZEHMY-VHSXEESVSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@H]1C[N@@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011845 1132757599 /nfs/dbraw/zinc/75/75/99/1132757599.db2.gz GTLHBVSMIZEHMY-VHSXEESVSA-N 2 1 336.694 3.849 20 0 EHADMP CCCOc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001175770399 1132761527 /nfs/dbraw/zinc/76/15/27/1132761527.db2.gz ZDEMCVSOCIIYIK-QGZVFWFLSA-N 2 1 325.456 3.581 20 0 EHADMP C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012320 1132773994 /nfs/dbraw/zinc/77/39/94/1132773994.db2.gz KMSVBIYUTCQJOH-WDEREUQCSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012320 1132774000 /nfs/dbraw/zinc/77/40/00/1132774000.db2.gz KMSVBIYUTCQJOH-WDEREUQCSA-N 2 1 335.801 3.561 20 0 EHADMP CCCCC(=O)[C@H](C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169546481 1132790296 /nfs/dbraw/zinc/79/02/96/1132790296.db2.gz CLDYUMPDLPVFLR-DOTOQJQBSA-N 2 1 342.487 3.911 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(C)c1Br ZINC001206014825 1132809032 /nfs/dbraw/zinc/80/90/32/1132809032.db2.gz YFQQTMUTESYECU-ZBFHGGJFSA-N 2 1 339.321 3.873 20 0 EHADMP CC(C)[C@H](CO)[NH2+]C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001177038913 1133025183 /nfs/dbraw/zinc/02/51/83/1133025183.db2.gz LEERAHVHROTAQR-YADHBBJMSA-N 2 1 340.511 3.509 20 0 EHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001177267759 1133050474 /nfs/dbraw/zinc/05/04/74/1133050474.db2.gz NRRMODNJOYRFKI-DENIHFKCSA-N 2 1 341.543 3.516 20 0 EHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001177267762 1133050699 /nfs/dbraw/zinc/05/06/99/1133050699.db2.gz NRRMODNJOYRFKI-UGKGYDQZSA-N 2 1 341.543 3.516 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001206311848 1133119223 /nfs/dbraw/zinc/11/92/23/1133119223.db2.gz VWHJNOPAJGDXGF-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001206311848 1133119227 /nfs/dbraw/zinc/11/92/27/1133119227.db2.gz VWHJNOPAJGDXGF-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(F)cc(F)cc2Br)CC1 ZINC001206325758 1133156638 /nfs/dbraw/zinc/15/66/38/1133156638.db2.gz JHKVFBAUMIMMGR-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cc(F)cc2Br)CC1 ZINC001206325758 1133156640 /nfs/dbraw/zinc/15/66/40/1133156640.db2.gz JHKVFBAUMIMMGR-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCCC(C)C ZINC001178916651 1133212162 /nfs/dbraw/zinc/21/21/62/1133212162.db2.gz LDZCONTXQIGVLB-SFHVURJKSA-N 2 1 348.531 3.942 20 0 EHADMP CC[N@H+](CCC[NH2+]Cc1ccc2nccnc2c1)C1CCCCC1 ZINC001179090991 1133227720 /nfs/dbraw/zinc/22/77/20/1133227720.db2.gz MWBVEGCXGYXZMZ-UHFFFAOYSA-N 2 1 326.488 3.764 20 0 EHADMP CC[N@@H+](CCC[NH2+]Cc1ccc2nccnc2c1)C1CCCCC1 ZINC001179090991 1133227722 /nfs/dbraw/zinc/22/77/22/1133227722.db2.gz MWBVEGCXGYXZMZ-UHFFFAOYSA-N 2 1 326.488 3.764 20 0 EHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC001179123027 1133230546 /nfs/dbraw/zinc/23/05/46/1133230546.db2.gz KZORGWQUMNCRIR-QHAWAJNXSA-N 2 1 330.516 3.558 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001179160193 1133233428 /nfs/dbraw/zinc/23/34/28/1133233428.db2.gz VADLOWXMLBSEBZ-LJQANCHMSA-N 2 1 340.515 3.619 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC001179160193 1133233432 /nfs/dbraw/zinc/23/34/32/1133233432.db2.gz VADLOWXMLBSEBZ-LJQANCHMSA-N 2 1 340.515 3.619 20 0 EHADMP CC1(C)CC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC(C)(C)N1O ZINC001170002308 1133242455 /nfs/dbraw/zinc/24/24/55/1133242455.db2.gz ADDSLKXKWODCSX-KRWDZBQOSA-N 2 1 337.552 3.738 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000769485272 1133288531 /nfs/dbraw/zinc/28/85/31/1133288531.db2.gz ZYKJZYFKIXMPIB-NRFANRHFSA-N 2 1 326.484 3.612 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919404 1133306606 /nfs/dbraw/zinc/30/66/06/1133306606.db2.gz LMJNURZABIUFAK-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919404 1133306608 /nfs/dbraw/zinc/30/66/08/1133306608.db2.gz LMJNURZABIUFAK-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919404 1133306611 /nfs/dbraw/zinc/30/66/11/1133306611.db2.gz LMJNURZABIUFAK-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919404 1133306615 /nfs/dbraw/zinc/30/66/15/1133306615.db2.gz LMJNURZABIUFAK-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919404 1133306619 /nfs/dbraw/zinc/30/66/19/1133306619.db2.gz LMJNURZABIUFAK-IRXDYDNUSA-N 2 1 326.406 3.708 20 0 EHADMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)o1 ZINC000769523559 1133308362 /nfs/dbraw/zinc/30/83/62/1133308362.db2.gz BAUXBOOYTNRDCY-UHFFFAOYSA-N 2 1 347.547 3.525 20 0 EHADMP C[C@H](C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769682543 1133323949 /nfs/dbraw/zinc/32/39/49/1133323949.db2.gz SZJTXOWUOBUMRP-JKSUJKDBSA-N 2 1 341.540 3.532 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Oc2ccccn2)c1 ZINC001181233953 1133472582 /nfs/dbraw/zinc/47/25/82/1133472582.db2.gz FQUAMASLTQWQBH-UHFFFAOYSA-N 2 1 325.456 3.792 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Oc2ccccn2)c1 ZINC001181233953 1133472586 /nfs/dbraw/zinc/47/25/86/1133472586.db2.gz FQUAMASLTQWQBH-UHFFFAOYSA-N 2 1 325.456 3.792 20 0 EHADMP C[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001181505424 1133494807 /nfs/dbraw/zinc/49/48/07/1133494807.db2.gz GRIARWNCUKFVIJ-KAGYGMCKSA-N 2 1 344.543 3.628 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC001183094852 1133768267 /nfs/dbraw/zinc/76/82/67/1133768267.db2.gz LYKQDAZYOAAYBQ-HSALFYBXSA-N 2 1 334.548 3.826 20 0 EHADMP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288991 1133886614 /nfs/dbraw/zinc/88/66/14/1133886614.db2.gz QXLXCIZSQXNXIQ-INIZCTEOSA-N 2 1 325.294 3.715 20 0 EHADMP CCc1cc(Br)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288991 1133886619 /nfs/dbraw/zinc/88/66/19/1133886619.db2.gz QXLXCIZSQXNXIQ-INIZCTEOSA-N 2 1 325.294 3.715 20 0 EHADMP C[C@H]1CCCC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001184364457 1133928293 /nfs/dbraw/zinc/92/82/93/1133928293.db2.gz SUOMNCJQTLJOOK-LPHOPBHVSA-N 2 1 338.499 3.977 20 0 EHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnc3cc(Br)ccc3c2)CC1 ZINC001205296885 1133940718 /nfs/dbraw/zinc/94/07/18/1133940718.db2.gz VXYXKYGCVXPNLM-QGZVFWFLSA-N 2 1 348.288 3.701 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000746672089 1133990639 /nfs/dbraw/zinc/99/06/39/1133990639.db2.gz LUFCZMFQTRKTJS-GHTZIAJQSA-N 2 1 348.506 3.756 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000746672089 1133990644 /nfs/dbraw/zinc/99/06/44/1133990644.db2.gz LUFCZMFQTRKTJS-GHTZIAJQSA-N 2 1 348.506 3.756 20 0 EHADMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205317112 1133997153 /nfs/dbraw/zinc/99/71/53/1133997153.db2.gz MGMKZXBGCWSUHR-CZUORRHYSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205317112 1133997158 /nfs/dbraw/zinc/99/71/58/1133997158.db2.gz MGMKZXBGCWSUHR-CZUORRHYSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316722 1133999384 /nfs/dbraw/zinc/99/93/84/1133999384.db2.gz KSPKMQVKUXXXHM-CZUORRHYSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316722 1133999391 /nfs/dbraw/zinc/99/93/91/1133999391.db2.gz KSPKMQVKUXXXHM-CZUORRHYSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)CCC[C@@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001170079909 1134057061 /nfs/dbraw/zinc/05/70/61/1134057061.db2.gz GJKQBAAFSKYLCH-GOSISDBHSA-N 2 1 332.536 3.552 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881071 1134097917 /nfs/dbraw/zinc/09/79/17/1134097917.db2.gz OSSDZCRPJVSWMV-SFTDATJTSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881071 1134097922 /nfs/dbraw/zinc/09/79/22/1134097922.db2.gz OSSDZCRPJVSWMV-SFTDATJTSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881071 1134097928 /nfs/dbraw/zinc/09/79/28/1134097928.db2.gz OSSDZCRPJVSWMV-SFTDATJTSA-N 2 1 326.484 3.667 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](Nc3nc(C)nc4c3CCCC4)C2)cc1 ZINC001187391290 1134334468 /nfs/dbraw/zinc/33/44/68/1134334468.db2.gz MJTQPQNWNXFLJV-SFHVURJKSA-N 2 1 336.483 3.659 20 0 EHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CC[C@H](C)C4)CC3)C2)cc1 ZINC001170145865 1134480512 /nfs/dbraw/zinc/48/05/12/1134480512.db2.gz WNTZYCGHXHULCI-PZJWPPBQSA-N 2 1 342.527 3.850 20 0 EHADMP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000775383094 1134694394 /nfs/dbraw/zinc/69/43/94/1134694394.db2.gz ULPCHERWVXMOGF-QZTJIDSGSA-N 3 1 347.547 3.672 20 0 EHADMP CC[C@H]1C[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170189985 1134703156 /nfs/dbraw/zinc/70/31/56/1134703156.db2.gz CQPYFHBHQSSIKQ-WTGUMLROSA-N 2 1 346.515 3.725 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@@H+]2CCC[C@@H]2C)ccc1OC ZINC000775392844 1134710778 /nfs/dbraw/zinc/71/07/78/1134710778.db2.gz KNLFDZKWMHKSPI-ZWKOTPCHSA-N 2 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@H+]2CCC[C@@H]2C)ccc1OC ZINC000775392844 1134710784 /nfs/dbraw/zinc/71/07/84/1134710784.db2.gz KNLFDZKWMHKSPI-ZWKOTPCHSA-N 2 1 347.547 3.672 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241403 1134719529 /nfs/dbraw/zinc/71/95/29/1134719529.db2.gz WHXIKROKTUULSK-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241403 1134719533 /nfs/dbraw/zinc/71/95/33/1134719533.db2.gz WHXIKROKTUULSK-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n(C)n1 ZINC000793522907 1134946120 /nfs/dbraw/zinc/94/61/20/1134946120.db2.gz GSVCBTNMGLPLST-SJLPKXTDSA-N 2 1 340.515 3.811 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC001192744690 1135048852 /nfs/dbraw/zinc/04/88/52/1135048852.db2.gz HOBHUHOOOGPGMP-LEWJYISDSA-N 2 1 330.516 3.655 20 0 EHADMP COc1c(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205617962 1135081746 /nfs/dbraw/zinc/08/17/46/1135081746.db2.gz QAKGRAOBQSBRKZ-AAEUAGOBSA-N 2 1 331.287 3.809 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCOCC4CCC4)C3)CC2)cc1 ZINC001194702275 1135301663 /nfs/dbraw/zinc/30/16/63/1135301663.db2.gz PSVGCBCFGYANTJ-UHFFFAOYSA-N 2 1 342.527 3.791 20 0 EHADMP C[C@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CCN1c1cc[nH+]cc1 ZINC001197377157 1135687716 /nfs/dbraw/zinc/68/77/16/1135687716.db2.gz KINMUEAOQDHJKK-YPQKKHBXSA-N 2 1 327.859 3.959 20 0 EHADMP COc1ccccc1CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001197582066 1135710331 /nfs/dbraw/zinc/71/03/31/1135710331.db2.gz FTZRBZOSEXXKSK-UHFFFAOYSA-N 2 1 330.516 3.968 20 0 EHADMP OC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCCCC1 ZINC000747531213 1135743535 /nfs/dbraw/zinc/74/35/35/1135743535.db2.gz GBWZJRTXBPULAE-NRFANRHFSA-N 2 1 342.527 3.670 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000809738743 1135883287 /nfs/dbraw/zinc/88/32/87/1135883287.db2.gz HNDAXAXTKJONIG-UHFFFAOYSA-N 2 1 334.467 3.770 20 0 EHADMP CCn1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC001199321521 1135897709 /nfs/dbraw/zinc/89/77/09/1135897709.db2.gz ZWWKPXJMIZHMOF-QZTJIDSGSA-N 2 1 340.515 3.671 20 0 EHADMP Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001199403007 1135903792 /nfs/dbraw/zinc/90/37/92/1135903792.db2.gz CJYCFLOVEJXOHJ-GFCCVEGCSA-N 2 1 343.284 3.718 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC001199414231 1135904722 /nfs/dbraw/zinc/90/47/22/1135904722.db2.gz VQUZVORRZBVDMB-INIZCTEOSA-N 2 1 346.515 3.837 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001199639910 1135916874 /nfs/dbraw/zinc/91/68/74/1135916874.db2.gz NIIGYEJYEJLSJA-WKDRNLAYSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201486772 1136027519 /nfs/dbraw/zinc/02/75/19/1136027519.db2.gz MEHKYEHQOPZBPS-LJQANCHMSA-N 2 1 344.547 3.720 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001201572409 1136042243 /nfs/dbraw/zinc/04/22/43/1136042243.db2.gz KDXGWFNYAUQNRQ-ROUUACIJSA-N 2 1 338.536 3.552 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202159969 1136103330 /nfs/dbraw/zinc/10/33/30/1136103330.db2.gz FRHJQZWZDAYOIY-SFHVURJKSA-N 2 1 332.488 3.525 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001202368514 1136135002 /nfs/dbraw/zinc/13/50/02/1136135002.db2.gz OEBVQBUBYURWJD-DLBZAZTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001202368514 1136135004 /nfs/dbraw/zinc/13/50/04/1136135004.db2.gz OEBVQBUBYURWJD-DLBZAZTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001202368514 1136135010 /nfs/dbraw/zinc/13/50/10/1136135010.db2.gz OEBVQBUBYURWJD-DLBZAZTESA-N 2 1 326.406 3.783 20 0 EHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(-c2ccnn2C)c1 ZINC000338920002 1136170490 /nfs/dbraw/zinc/17/04/90/1136170490.db2.gz JYCODEMTZHZNBO-UHFFFAOYSA-N 2 1 340.515 3.700 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3COC4(CCC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000850523677 1136277667 /nfs/dbraw/zinc/27/76/67/1136277667.db2.gz NFBNLYXCFXNEPT-TUFLPTIASA-N 2 1 340.511 3.731 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789024 1136362541 /nfs/dbraw/zinc/36/25/41/1136362541.db2.gz GRNKLOFTNOWMLJ-HHXCZETCSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880537 1136372330 /nfs/dbraw/zinc/37/23/30/1136372330.db2.gz GPPDXCRPGLUVOK-ZMWHVPEISA-N 2 1 328.500 3.587 20 0 EHADMP Fc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000851881988 1136415708 /nfs/dbraw/zinc/41/57/08/1136415708.db2.gz RLRUIVXJZWTKOR-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP Brc1c2ccccc2oc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746857 1136483006 /nfs/dbraw/zinc/48/30/06/1136483006.db2.gz SBAXKAJUXLYMMZ-UHFFFAOYSA-N 2 1 349.272 3.771 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240615 1136521288 /nfs/dbraw/zinc/52/12/88/1136521288.db2.gz PHZZKTPRPMNDNT-UGKGYDQZSA-N 2 1 342.527 3.866 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(C)c3Cl)cc2)CC1 ZINC000815112807 1136550047 /nfs/dbraw/zinc/55/00/47/1136550047.db2.gz CSPAHLMFDCFGHF-UHFFFAOYSA-N 2 1 346.906 3.595 20 0 EHADMP CCC(CC)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559098 1136794740 /nfs/dbraw/zinc/79/47/40/1136794740.db2.gz MKILLQMTWJDBRA-HXUWFJFHSA-N 2 1 333.520 3.811 20 0 EHADMP CCC(CC)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559098 1136794743 /nfs/dbraw/zinc/79/47/43/1136794743.db2.gz MKILLQMTWJDBRA-HXUWFJFHSA-N 2 1 333.520 3.811 20 0 EHADMP CCC(CC)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559098 1136794746 /nfs/dbraw/zinc/79/47/46/1136794746.db2.gz MKILLQMTWJDBRA-HXUWFJFHSA-N 2 1 333.520 3.811 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3C=CCCCCC3)C2)ccn1 ZINC000856584049 1136797339 /nfs/dbraw/zinc/79/73/39/1136797339.db2.gz CPIOEYXPYXDYAS-PZJWPPBQSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)ccn1 ZINC000856584049 1136797342 /nfs/dbraw/zinc/79/73/42/1136797342.db2.gz CPIOEYXPYXDYAS-PZJWPPBQSA-N 2 1 343.515 3.875 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)ccn1 ZINC000856584049 1136797345 /nfs/dbraw/zinc/79/73/45/1136797345.db2.gz CPIOEYXPYXDYAS-PZJWPPBQSA-N 2 1 343.515 3.875 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(C)(C)C)C2)ccn1 ZINC000856583844 1136797719 /nfs/dbraw/zinc/79/77/19/1136797719.db2.gz ASBLNPVQYQUHLB-IBGZPJMESA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856583844 1136797720 /nfs/dbraw/zinc/79/77/20/1136797720.db2.gz ASBLNPVQYQUHLB-IBGZPJMESA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856583844 1136797724 /nfs/dbraw/zinc/79/77/24/1136797724.db2.gz ASBLNPVQYQUHLB-IBGZPJMESA-N 2 1 333.520 3.813 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3CCCC3)C2)ccn1 ZINC000856600043 1136798223 /nfs/dbraw/zinc/79/82/23/1136798223.db2.gz PYICGJZTGVEFIK-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CCCC3)C2)ccn1 ZINC000856600043 1136798226 /nfs/dbraw/zinc/79/82/26/1136798226.db2.gz PYICGJZTGVEFIK-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3CCCC3)C2)ccn1 ZINC000856600043 1136798229 /nfs/dbraw/zinc/79/82/29/1136798229.db2.gz PYICGJZTGVEFIK-OAQYLSRUSA-N 2 1 345.531 3.955 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000817896986 1136843874 /nfs/dbraw/zinc/84/38/74/1136843874.db2.gz AWJHFQMJXCDSSC-PWRODBHTSA-N 3 1 333.564 3.541 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000819078929 1136911244 /nfs/dbraw/zinc/91/12/44/1136911244.db2.gz OFVGTFDFFWSYHN-GCJKJVERSA-N 2 1 338.495 3.844 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000862280051 1137137308 /nfs/dbraw/zinc/13/73/08/1137137308.db2.gz FLLHSCPCNVRCBO-RDJZCZTQSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000862280051 1137137309 /nfs/dbraw/zinc/13/73/09/1137137309.db2.gz FLLHSCPCNVRCBO-RDJZCZTQSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862290611 1137137325 /nfs/dbraw/zinc/13/73/25/1137137325.db2.gz APCWVDBCPBMIGX-LPHOPBHVSA-N 2 1 341.474 3.919 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824988571 1137161173 /nfs/dbraw/zinc/16/11/73/1137161173.db2.gz NUFXMVOKQCOLQM-FCLXEUQJSA-N 2 1 337.305 3.595 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089162 1137177682 /nfs/dbraw/zinc/17/76/82/1137177682.db2.gz YQRCQOIMKHMXKM-CRAIPNDOSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089162 1137177683 /nfs/dbraw/zinc/17/76/83/1137177683.db2.gz YQRCQOIMKHMXKM-CRAIPNDOSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089162 1137177684 /nfs/dbraw/zinc/17/76/84/1137177684.db2.gz YQRCQOIMKHMXKM-CRAIPNDOSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089167 1137177693 /nfs/dbraw/zinc/17/76/93/1137177693.db2.gz YQRCQOIMKHMXKM-MAUKXSAKSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089167 1137177694 /nfs/dbraw/zinc/17/76/94/1137177694.db2.gz YQRCQOIMKHMXKM-MAUKXSAKSA-N 2 1 339.310 3.878 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001171089167 1137177695 /nfs/dbraw/zinc/17/76/95/1137177695.db2.gz YQRCQOIMKHMXKM-MAUKXSAKSA-N 2 1 339.310 3.878 20 0 EHADMP CCOc1c(F)cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1F ZINC001144026823 1137230293 /nfs/dbraw/zinc/23/02/93/1137230293.db2.gz QMOKAUFVFVQNFS-UHFFFAOYSA-N 2 1 340.458 3.916 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)oc3C)CC2)cs1 ZINC000120264379 1137249294 /nfs/dbraw/zinc/24/92/94/1137249294.db2.gz QTOSTRAEHCXARK-UHFFFAOYSA-N 2 1 347.528 3.917 20 0 EHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1 ZINC000865417542 1137281663 /nfs/dbraw/zinc/28/16/63/1137281663.db2.gz ONFDPBLPUFLICB-UHFFFAOYSA-N 2 1 347.528 3.671 20 0 EHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001171171334 1137282041 /nfs/dbraw/zinc/28/20/41/1137282041.db2.gz FTJHDBZILISGDD-RVKKMQEKSA-N 2 1 339.310 3.734 20 0 EHADMP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000865462538 1137286025 /nfs/dbraw/zinc/28/60/25/1137286025.db2.gz NWPLWJHGRWSVIO-FQEVSTJZSA-N 2 1 346.515 3.597 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510018 1137290060 /nfs/dbraw/zinc/29/00/60/1137290060.db2.gz RCIQZYSRWAMDSE-PKOBYXMFSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)Cc1[nH+]cn2ccccc12 ZINC001144623396 1137319544 /nfs/dbraw/zinc/31/95/44/1137319544.db2.gz UTMWIINGIIAXQU-PGRDOPGGSA-N 2 1 348.494 3.677 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)Cc1[nH+]cn2ccccc12 ZINC001144623396 1137319546 /nfs/dbraw/zinc/31/95/46/1137319546.db2.gz UTMWIINGIIAXQU-PGRDOPGGSA-N 2 1 348.494 3.677 20 0 EHADMP C[C@]1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@]1(F)Cl ZINC000846037874 1137328567 /nfs/dbraw/zinc/32/85/67/1137328567.db2.gz MYNHUEPDLAFLGZ-OALUTQOASA-N 2 1 338.898 3.988 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257059 1137339874 /nfs/dbraw/zinc/33/98/74/1137339874.db2.gz FBOODCIYLCSUMZ-UNMCSNQZSA-N 2 1 337.511 3.933 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000866257059 1137339876 /nfs/dbraw/zinc/33/98/76/1137339876.db2.gz FBOODCIYLCSUMZ-UNMCSNQZSA-N 2 1 337.511 3.933 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866528350 1137361240 /nfs/dbraw/zinc/36/12/40/1137361240.db2.gz XKXLCXTWLFCZNF-HLAWJBBLSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866529970 1137361621 /nfs/dbraw/zinc/36/16/21/1137361621.db2.gz UVZXLZIGSMYCCV-SESVDKBCSA-N 2 1 342.527 3.693 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000846899442 1137374642 /nfs/dbraw/zinc/37/46/42/1137374642.db2.gz QEGIVAXFDKKPOT-JOCHJYFZSA-N 2 1 349.478 3.589 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000846899442 1137374644 /nfs/dbraw/zinc/37/46/44/1137374644.db2.gz QEGIVAXFDKKPOT-JOCHJYFZSA-N 2 1 349.478 3.589 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000866707556 1137374937 /nfs/dbraw/zinc/37/49/37/1137374937.db2.gz IJZWVLNSUAEJOF-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000866707556 1137374939 /nfs/dbraw/zinc/37/49/39/1137374939.db2.gz IJZWVLNSUAEJOF-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP Fc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000121713803 1137382702 /nfs/dbraw/zinc/38/27/02/1137382702.db2.gz HDSVTSCXWGMWLU-UHFFFAOYSA-N 2 1 326.459 3.665 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000348176966 1137450851 /nfs/dbraw/zinc/45/08/51/1137450851.db2.gz WYXSFOXZQYVDMQ-ACJLOTCBSA-N 2 1 327.453 3.626 20 0 EHADMP Cc1ncc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000773080784 1137463717 /nfs/dbraw/zinc/46/37/17/1137463717.db2.gz GUVKCLGBMBJNTM-CYBMUJFWSA-N 2 1 326.469 3.839 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171404852 1137472636 /nfs/dbraw/zinc/47/26/36/1137472636.db2.gz NEXLBTGKFCOBNX-GOSISDBHSA-N 2 1 339.458 3.645 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]CC3C[C@H]4CC[C@@H](C3)S4)CC2)cc1 ZINC000716021387 1137479047 /nfs/dbraw/zinc/47/90/47/1137479047.db2.gz XDKRZSYFWNSLCE-CTXDPNEZSA-N 2 1 330.541 3.915 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171427147 1137480196 /nfs/dbraw/zinc/48/01/96/1137480196.db2.gz WMLFNKIMWGATKN-QGZVFWFLSA-N 2 1 339.458 3.625 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716629429 1137487863 /nfs/dbraw/zinc/48/78/63/1137487863.db2.gz YVRBGRONFXWPFN-ZGQFRPCXSA-N 3 1 341.543 3.502 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171472761 1137493029 /nfs/dbraw/zinc/49/30/29/1137493029.db2.gz QUNYRKCPEOQTAK-KZNAEPCWSA-N 2 1 334.454 3.804 20 0 EHADMP CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000123202698 1137501054 /nfs/dbraw/zinc/50/10/54/1137501054.db2.gz DFTPHFJEAQKIIO-FQEVSTJZSA-N 2 1 344.499 3.556 20 0 EHADMP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000123202698 1137501056 /nfs/dbraw/zinc/50/10/56/1137501056.db2.gz DFTPHFJEAQKIIO-FQEVSTJZSA-N 2 1 344.499 3.556 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637470 1137504199 /nfs/dbraw/zinc/50/41/99/1137504199.db2.gz OQEJWZGJHQFAGA-HNNXBMFYSA-N 2 1 338.536 3.692 20 0 EHADMP CC[C@@H]1[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]12CCC(=O)N2C ZINC001171636247 1137504311 /nfs/dbraw/zinc/50/43/11/1137504311.db2.gz CGSYQWSGMHMQSG-UWJYYQICSA-N 2 1 349.563 3.503 20 0 EHADMP C[N@H+](CCCC(=O)c1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639791 1137504534 /nfs/dbraw/zinc/50/45/34/1137504534.db2.gz UEWLILFJVAMESQ-UHFFFAOYSA-N 2 1 331.504 3.628 20 0 EHADMP C[N@@H+](CCCC(=O)c1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639791 1137504535 /nfs/dbraw/zinc/50/45/35/1137504535.db2.gz UEWLILFJVAMESQ-UHFFFAOYSA-N 2 1 331.504 3.628 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1(C)C ZINC001171638485 1137504566 /nfs/dbraw/zinc/50/45/66/1137504566.db2.gz ZEPAVHBUULVLME-IBGZPJMESA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171743574 1137508242 /nfs/dbraw/zinc/50/82/42/1137508242.db2.gz CAFZABARCNPKSU-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171743574 1137508244 /nfs/dbraw/zinc/50/82/44/1137508244.db2.gz CAFZABARCNPKSU-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)C[C@@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743574 1137508245 /nfs/dbraw/zinc/50/82/45/1137508245.db2.gz CAFZABARCNPKSU-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743574 1137508247 /nfs/dbraw/zinc/50/82/47/1137508247.db2.gz CAFZABARCNPKSU-UEVCKROQSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CCC([NH3+])(c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738439 1137510836 /nfs/dbraw/zinc/51/08/36/1137510836.db2.gz IZTVBHUWFVTNJO-KNQAVFIVSA-N 2 1 349.522 3.599 20 0 EHADMP Fc1cccc2c1C[C@@H](N1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001171797691 1137513069 /nfs/dbraw/zinc/51/30/69/1137513069.db2.gz XPOLYCKLLQWFJW-SFHVURJKSA-N 2 1 328.475 3.633 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001171797691 1137513070 /nfs/dbraw/zinc/51/30/70/1137513070.db2.gz XPOLYCKLLQWFJW-SFHVURJKSA-N 2 1 328.475 3.633 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001171797691 1137513071 /nfs/dbraw/zinc/51/30/71/1137513071.db2.gz XPOLYCKLLQWFJW-SFHVURJKSA-N 2 1 328.475 3.633 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171967226 1137520658 /nfs/dbraw/zinc/52/06/58/1137520658.db2.gz YJDDRDVDSMRCAO-LEWJYISDSA-N 2 1 338.495 3.753 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171971860 1137523639 /nfs/dbraw/zinc/52/36/39/1137523639.db2.gz KSRDIHJXYIWJOB-RTBURBONSA-N 2 1 330.516 3.977 20 0 EHADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970894 1137523742 /nfs/dbraw/zinc/52/37/42/1137523742.db2.gz GAXZPUKWUICZEW-LJQANCHMSA-N 2 1 346.515 3.753 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171975099 1137524379 /nfs/dbraw/zinc/52/43/79/1137524379.db2.gz KVPKGUUQADARHV-NRFANRHFSA-N 3 1 337.511 3.678 20 0 EHADMP CC1(C)C[C@@H](NCc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171975099 1137524381 /nfs/dbraw/zinc/52/43/81/1137524381.db2.gz KVPKGUUQADARHV-NRFANRHFSA-N 2 1 337.511 3.678 20 0 EHADMP CC1(C)C[C@@H](NCc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171975099 1137524383 /nfs/dbraw/zinc/52/43/83/1137524383.db2.gz KVPKGUUQADARHV-NRFANRHFSA-N 2 1 337.511 3.678 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH3+])CCN1Cc1ccccc1 ZINC001171975099 1137524385 /nfs/dbraw/zinc/52/43/85/1137524385.db2.gz KVPKGUUQADARHV-NRFANRHFSA-N 2 1 337.511 3.678 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974983 1137524608 /nfs/dbraw/zinc/52/46/08/1137524608.db2.gz BMMVIVKXXGJWNI-IHPCNDPISA-N 2 1 330.516 3.570 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976139 1137524998 /nfs/dbraw/zinc/52/49/98/1137524998.db2.gz PVQKFOQNYWUAQO-NJDAHSKKSA-N 2 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976139 1137525001 /nfs/dbraw/zinc/52/50/01/1137525001.db2.gz PVQKFOQNYWUAQO-NJDAHSKKSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976139 1137525003 /nfs/dbraw/zinc/52/50/03/1137525003.db2.gz PVQKFOQNYWUAQO-NJDAHSKKSA-N 3 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977106 1137525134 /nfs/dbraw/zinc/52/51/34/1137525134.db2.gz XHNOSNDBOXGJPD-VQTJNVASSA-N 2 1 346.515 3.562 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979670 1137526231 /nfs/dbraw/zinc/52/62/31/1137526231.db2.gz FIBGMOTZHODRJM-AABGKKOBSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979670 1137526232 /nfs/dbraw/zinc/52/62/32/1137526232.db2.gz FIBGMOTZHODRJM-AABGKKOBSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979670 1137526233 /nfs/dbraw/zinc/52/62/33/1137526233.db2.gz FIBGMOTZHODRJM-AABGKKOBSA-N 2 1 328.500 3.540 20 0 EHADMP CC(C)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171978706 1137526285 /nfs/dbraw/zinc/52/62/85/1137526285.db2.gz BCWCYNDQUZGPLN-OAQYLSRUSA-N 2 1 343.559 3.703 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987722 1137527761 /nfs/dbraw/zinc/52/77/61/1137527761.db2.gz IFHBDAFUGYBVJO-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987722 1137527762 /nfs/dbraw/zinc/52/77/62/1137527762.db2.gz IFHBDAFUGYBVJO-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987722 1137527764 /nfs/dbraw/zinc/52/77/64/1137527764.db2.gz IFHBDAFUGYBVJO-TZIWHRDSSA-N 2 1 328.500 3.685 20 0 EHADMP C[C@@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172070386 1137529947 /nfs/dbraw/zinc/52/99/47/1137529947.db2.gz NVXHHFVYIDPHSA-WOZUAGRISA-N 2 1 328.500 3.588 20 0 EHADMP C[NH+](C)[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074278 1137530107 /nfs/dbraw/zinc/53/01/07/1137530107.db2.gz GXGRJBZLPOROFR-LNRXMEIDSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C)C[C@@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073863 1137530188 /nfs/dbraw/zinc/53/01/88/1137530188.db2.gz DNCWWXVWXHSEPF-LRSLUSHPSA-N 2 1 341.543 3.598 20 0 EHADMP O[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076415 1137530655 /nfs/dbraw/zinc/53/06/55/1137530655.db2.gz JBUSEOGNVKWVKI-CSEOROSGSA-N 2 1 342.527 3.713 20 0 EHADMP [NH3+]CCCc1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080100 1137530807 /nfs/dbraw/zinc/53/08/07/1137530807.db2.gz SVTOXMUQQDLUAG-PMOLBWCYSA-N 2 1 338.499 3.533 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082121 1137531752 /nfs/dbraw/zinc/53/17/52/1137531752.db2.gz JMBWWRBEDOEJCS-VNXMGFANSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082121 1137531753 /nfs/dbraw/zinc/53/17/53/1137531753.db2.gz JMBWWRBEDOEJCS-VNXMGFANSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082121 1137531754 /nfs/dbraw/zinc/53/17/54/1137531754.db2.gz JMBWWRBEDOEJCS-VNXMGFANSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@H]4OCC[C@H]4C2)C3)cc1 ZINC001172082121 1137531755 /nfs/dbraw/zinc/53/17/55/1137531755.db2.gz JMBWWRBEDOEJCS-VNXMGFANSA-N 2 1 340.511 3.683 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062698 1137533237 /nfs/dbraw/zinc/53/32/37/1137533237.db2.gz QSNOQJLDWVWZGN-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062698 1137533238 /nfs/dbraw/zinc/53/32/38/1137533238.db2.gz QSNOQJLDWVWZGN-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062698 1137533239 /nfs/dbraw/zinc/53/32/39/1137533239.db2.gz QSNOQJLDWVWZGN-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062698 1137533240 /nfs/dbraw/zinc/53/32/40/1137533240.db2.gz QSNOQJLDWVWZGN-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062698 1137533241 /nfs/dbraw/zinc/53/32/41/1137533241.db2.gz QSNOQJLDWVWZGN-YUMYIRISSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068811 1137534314 /nfs/dbraw/zinc/53/43/14/1137534314.db2.gz LCCJKCABWNWATI-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068811 1137534315 /nfs/dbraw/zinc/53/43/15/1137534315.db2.gz LCCJKCABWNWATI-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068811 1137534316 /nfs/dbraw/zinc/53/43/16/1137534316.db2.gz LCCJKCABWNWATI-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@]1(C)O ZINC001172068811 1137534317 /nfs/dbraw/zinc/53/43/17/1137534317.db2.gz LCCJKCABWNWATI-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128024 1137534973 /nfs/dbraw/zinc/53/49/73/1137534973.db2.gz NPPJPQIDLBKFHS-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172128024 1137534975 /nfs/dbraw/zinc/53/49/75/1137534975.db2.gz NPPJPQIDLBKFHS-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172128024 1137534977 /nfs/dbraw/zinc/53/49/77/1137534977.db2.gz NPPJPQIDLBKFHS-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172128024 1137534979 /nfs/dbraw/zinc/53/49/79/1137534979.db2.gz NPPJPQIDLBKFHS-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128530 1137535380 /nfs/dbraw/zinc/53/53/80/1137535380.db2.gz SBQWDSOAQWZUAY-ZSHCYNCHSA-N 2 1 349.906 3.594 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128530 1137535381 /nfs/dbraw/zinc/53/53/81/1137535381.db2.gz SBQWDSOAQWZUAY-ZSHCYNCHSA-N 2 1 349.906 3.594 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001172102761 1137536575 /nfs/dbraw/zinc/53/65/75/1137536575.db2.gz OUENQPVJTNUGDO-QKDCVEJESA-N 2 1 328.378 3.690 20 0 EHADMP COc1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172120245 1137538350 /nfs/dbraw/zinc/53/83/50/1137538350.db2.gz BPAVMVZZJOGMKW-BCDXTJNWSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172120245 1137538352 /nfs/dbraw/zinc/53/83/52/1137538352.db2.gz BPAVMVZZJOGMKW-BCDXTJNWSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172122475 1137538695 /nfs/dbraw/zinc/53/86/95/1137538695.db2.gz QXINOSNMVHLXAR-PMOLBWCYSA-N 2 1 328.500 3.890 20 0 EHADMP COc1ccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172122475 1137538696 /nfs/dbraw/zinc/53/86/96/1137538696.db2.gz QXINOSNMVHLXAR-PMOLBWCYSA-N 2 1 328.500 3.890 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nc(C3CC[NH2+]CC3)c3ccccc31)C2 ZINC001172123545 1137538792 /nfs/dbraw/zinc/53/87/92/1137538792.db2.gz DXRDDEFABUUOSO-PIIMJCKOSA-N 2 1 338.499 3.691 20 0 EHADMP CC[C@H](CCC(F)(F)F)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000872042099 1137567203 /nfs/dbraw/zinc/56/72/03/1137567203.db2.gz MWXNIAIBPUSUKO-CQSZACIVSA-N 2 1 344.425 3.773 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@@H]2CCC[C@H]21 ZINC000872115658 1137572157 /nfs/dbraw/zinc/57/21/57/1137572157.db2.gz GAOOKRSHGAJECO-MELADBBJSA-N 2 1 347.812 3.716 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)[C@@H]2CCC[C@H]21 ZINC000872115658 1137572158 /nfs/dbraw/zinc/57/21/58/1137572158.db2.gz GAOOKRSHGAJECO-MELADBBJSA-N 2 1 347.812 3.716 20 0 EHADMP Cc1cc(-c2noc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])n2)ccc1F ZINC000872155848 1137574025 /nfs/dbraw/zinc/57/40/25/1137574025.db2.gz YHQUPNIKCZPXEA-CQSZACIVSA-N 2 1 334.439 3.696 20 0 EHADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CCCCCC[NH3+] ZINC000872155102 1137574085 /nfs/dbraw/zinc/57/40/85/1137574085.db2.gz LJJTVICOPKPUCR-INIZCTEOSA-N 2 1 327.472 3.618 20 0 EHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137060155 1137580962 /nfs/dbraw/zinc/58/09/62/1137580962.db2.gz KSPXVNVCJYOEEG-OAHLLOKOSA-N 2 1 325.387 3.664 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1C(F)(F)F ZINC000873227701 1137594438 /nfs/dbraw/zinc/59/44/38/1137594438.db2.gz MRRHGXCBMSRVMJ-GOEBONIOSA-N 2 1 340.414 3.984 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1C(F)(F)F ZINC000873227701 1137594439 /nfs/dbraw/zinc/59/44/39/1137594439.db2.gz MRRHGXCBMSRVMJ-GOEBONIOSA-N 2 1 340.414 3.984 20 0 EHADMP CO[C@@](C)(CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000876866185 1137664245 /nfs/dbraw/zinc/66/42/45/1137664245.db2.gz QMLQJDMSMLHSDM-NRFANRHFSA-N 2 1 345.531 3.692 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876946793 1137666036 /nfs/dbraw/zinc/66/60/36/1137666036.db2.gz RKSAVJYCPXHSDG-UHFFFAOYSA-N 2 1 344.459 3.718 20 0 EHADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988425 1137667032 /nfs/dbraw/zinc/66/70/32/1137667032.db2.gz FYQYHTPBQCHIFY-QWHCGFSZSA-N 2 1 333.328 3.744 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000877049109 1137668731 /nfs/dbraw/zinc/66/87/31/1137668731.db2.gz QLGIEGRQVQVYMX-YSIASYRMSA-N 2 1 342.508 3.739 20 0 EHADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000877049109 1137668732 /nfs/dbraw/zinc/66/87/32/1137668732.db2.gz QLGIEGRQVQVYMX-YSIASYRMSA-N 2 1 342.508 3.739 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(ccnc4Cl)o3)C2)CC1 ZINC000877528759 1137679791 /nfs/dbraw/zinc/67/97/91/1137679791.db2.gz JTLQIFAJGBIEKO-CQSZACIVSA-N 2 1 333.863 3.645 20 0 EHADMP Clc1ccc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000878125006 1137703461 /nfs/dbraw/zinc/70/34/61/1137703461.db2.gz LINQLDMIVFJOKY-HNNXBMFYSA-N 2 1 329.875 3.806 20 0 EHADMP Clc1ccc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000878125006 1137703462 /nfs/dbraw/zinc/70/34/62/1137703462.db2.gz LINQLDMIVFJOKY-HNNXBMFYSA-N 2 1 329.875 3.806 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549004 1137719856 /nfs/dbraw/zinc/71/98/56/1137719856.db2.gz BEFRVLWFMRKJNL-UHFFFAOYSA-N 2 1 339.483 3.958 20 0 EHADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249981 1137742602 /nfs/dbraw/zinc/74/26/02/1137742602.db2.gz IMWMCSOXENDBGA-UHFFFAOYSA-N 2 1 344.478 3.503 20 0 EHADMP Cc1cccc2c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)[nH]nc21 ZINC001137146331 1137757350 /nfs/dbraw/zinc/75/73/50/1137757350.db2.gz HEBGGCBYLXSVOZ-QGZVFWFLSA-N 2 1 326.488 3.712 20 0 EHADMP Cc1cccc2c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)[nH]nc21 ZINC001137146331 1137757351 /nfs/dbraw/zinc/75/73/51/1137757351.db2.gz HEBGGCBYLXSVOZ-QGZVFWFLSA-N 2 1 326.488 3.712 20 0 EHADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949983 1137763084 /nfs/dbraw/zinc/76/30/84/1137763084.db2.gz BBIMQBNTVKUINO-UHFFFAOYSA-N 2 1 343.515 3.664 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1sccc1Cl ZINC000883188612 1137847799 /nfs/dbraw/zinc/84/77/99/1137847799.db2.gz NEWSXABDVFLWAG-HIFRSBDPSA-N 2 1 330.925 3.679 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)O2)cc1 ZINC000883430627 1137860510 /nfs/dbraw/zinc/86/05/10/1137860510.db2.gz YXLZSFSVWDFKBG-WOZUAGRISA-N 2 1 328.500 3.761 20 0 EHADMP C[C@@H]1C[N@@H+](C/C(Br)=C/c2ccccc2)CCC[C@H]1C[NH3+] ZINC001205980825 1137959234 /nfs/dbraw/zinc/95/92/34/1137959234.db2.gz AIOHTWWYQITEOW-JZSRGSOXSA-N 2 1 337.305 3.729 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000885920807 1138024956 /nfs/dbraw/zinc/02/49/56/1138024956.db2.gz HRQMAAHPZHBSEH-TZIWHRDSSA-N 2 1 330.516 3.631 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cn1 ZINC000885930011 1138025980 /nfs/dbraw/zinc/02/59/80/1138025980.db2.gz XZJHCYYIADXIQA-SFHVURJKSA-N 2 1 340.471 3.547 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000886138711 1138051252 /nfs/dbraw/zinc/05/12/52/1138051252.db2.gz RKNHVQTXHDHIIG-UHFFFAOYSA-N 2 1 340.515 3.762 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886507814 1138085868 /nfs/dbraw/zinc/08/58/68/1138085868.db2.gz ZOLGJSXBTWWXQP-GOSISDBHSA-N 2 1 326.419 3.869 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886507253 1138086042 /nfs/dbraw/zinc/08/60/42/1138086042.db2.gz CHXQKTDBJPTIFA-OTWHNJEPSA-N 2 1 341.886 3.878 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000886534523 1138092226 /nfs/dbraw/zinc/09/22/26/1138092226.db2.gz KASZEMIQQBUUPN-QESAQDPVSA-N 2 1 342.527 3.834 20 0 EHADMP COCCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886540913 1138093607 /nfs/dbraw/zinc/09/36/07/1138093607.db2.gz MQJDOXZZMDWCIS-HBMCJLEFSA-N 2 1 342.527 3.836 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886626464 1138103525 /nfs/dbraw/zinc/10/35/25/1138103525.db2.gz BXJSILMZDGPPQO-LEAZDLGRSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)[nH+]c1C ZINC000886664726 1138111088 /nfs/dbraw/zinc/11/10/88/1138111088.db2.gz VWRFBWDMKHNOLX-UHFFFAOYSA-N 2 1 335.455 3.592 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)[C@H](C)C1 ZINC000090716046 1138213191 /nfs/dbraw/zinc/21/31/91/1138213191.db2.gz FRTQAYILTMADHP-PBHICJAKSA-N 2 1 344.421 3.585 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000092587716 1138229936 /nfs/dbraw/zinc/22/99/36/1138229936.db2.gz CUEPARWYCCXNAG-HXUWFJFHSA-N 2 1 343.515 3.589 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000092587716 1138229938 /nfs/dbraw/zinc/22/99/38/1138229938.db2.gz CUEPARWYCCXNAG-HXUWFJFHSA-N 2 1 343.515 3.589 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CCN1C ZINC000093645053 1138239148 /nfs/dbraw/zinc/23/91/48/1138239148.db2.gz ADFJKPBBWCCMCQ-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645053 1138239149 /nfs/dbraw/zinc/23/91/49/1138239149.db2.gz ADFJKPBBWCCMCQ-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645053 1138239150 /nfs/dbraw/zinc/23/91/50/1138239150.db2.gz ADFJKPBBWCCMCQ-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645053 1138239153 /nfs/dbraw/zinc/23/91/53/1138239153.db2.gz ADFJKPBBWCCMCQ-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645053 1138239154 /nfs/dbraw/zinc/23/91/54/1138239154.db2.gz ADFJKPBBWCCMCQ-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645053 1138239156 /nfs/dbraw/zinc/23/91/56/1138239156.db2.gz ADFJKPBBWCCMCQ-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645053 1138239157 /nfs/dbraw/zinc/23/91/57/1138239157.db2.gz ADFJKPBBWCCMCQ-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093693108 1138239793 /nfs/dbraw/zinc/23/97/93/1138239793.db2.gz ALNPNRZQAHEOCW-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093693108 1138239795 /nfs/dbraw/zinc/23/97/95/1138239795.db2.gz ALNPNRZQAHEOCW-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CCN1C ZINC000123642727 1138272618 /nfs/dbraw/zinc/27/26/18/1138272618.db2.gz PSLBTIMUJUZDKD-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123642727 1138272621 /nfs/dbraw/zinc/27/26/21/1138272621.db2.gz PSLBTIMUJUZDKD-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000123642727 1138272623 /nfs/dbraw/zinc/27/26/23/1138272623.db2.gz PSLBTIMUJUZDKD-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP Cc1n[nH]c(C)c1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000124059728 1138278366 /nfs/dbraw/zinc/27/83/66/1138278366.db2.gz PQLHHDTUUVNOSR-DNVCBOLYSA-N 2 1 326.488 3.511 20 0 EHADMP Cc1n[nH]c(C)c1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000124059728 1138278368 /nfs/dbraw/zinc/27/83/68/1138278368.db2.gz PQLHHDTUUVNOSR-DNVCBOLYSA-N 2 1 326.488 3.511 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000124964941 1138298149 /nfs/dbraw/zinc/29/81/49/1138298149.db2.gz OQAJUZWFOZOJAA-NDSDBLNTSA-N 2 1 325.456 3.789 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000125829060 1138317321 /nfs/dbraw/zinc/31/73/21/1138317321.db2.gz UBBAWDNEQQTCKN-IRXDYDNUSA-N 2 1 332.488 3.619 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000128288840 1138385629 /nfs/dbraw/zinc/38/56/29/1138385629.db2.gz KYDFNGAVYVSOSM-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP Fc1ccc(CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1F ZINC000337452907 1138573058 /nfs/dbraw/zinc/57/30/58/1138573058.db2.gz UUIGGYNNGIBJAO-INIZCTEOSA-N 2 1 345.437 3.920 20 0 EHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000337992942 1138718366 /nfs/dbraw/zinc/71/83/66/1138718366.db2.gz GZYIVYJPYLRNEG-PXNSSMCTSA-N 2 1 334.479 3.527 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@H]1C ZINC000338308707 1138827388 /nfs/dbraw/zinc/82/73/88/1138827388.db2.gz RYWKAOJOPKSLEC-NVXWUHKLSA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@H]1C ZINC000338308707 1138827395 /nfs/dbraw/zinc/82/73/95/1138827395.db2.gz RYWKAOJOPKSLEC-NVXWUHKLSA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@H]1C ZINC000338308707 1138827400 /nfs/dbraw/zinc/82/74/00/1138827400.db2.gz RYWKAOJOPKSLEC-NVXWUHKLSA-N 2 1 327.472 3.553 20 0 EHADMP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000137691309 1138869698 /nfs/dbraw/zinc/86/96/98/1138869698.db2.gz SFKAWJWACKMHCF-LJQANCHMSA-N 2 1 345.531 3.828 20 0 EHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000137691309 1138869713 /nfs/dbraw/zinc/86/97/13/1138869713.db2.gz SFKAWJWACKMHCF-LJQANCHMSA-N 2 1 345.531 3.828 20 0 EHADMP Cc1cccc(C)c1NC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000137691309 1138869726 /nfs/dbraw/zinc/86/97/26/1138869726.db2.gz SFKAWJWACKMHCF-LJQANCHMSA-N 2 1 345.531 3.828 20 0 EHADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150785845 1138982454 /nfs/dbraw/zinc/98/24/54/1138982454.db2.gz QQMYYAHVGOXFGT-INIZCTEOSA-N 2 1 342.405 3.545 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150785845 1138982460 /nfs/dbraw/zinc/98/24/60/1138982460.db2.gz QQMYYAHVGOXFGT-INIZCTEOSA-N 2 1 342.405 3.545 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000177213002 1139604716 /nfs/dbraw/zinc/60/47/16/1139604716.db2.gz VDWLPEVWSHOVCR-IBGZPJMESA-N 2 1 339.527 3.908 20 0 EHADMP Clc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000178954990 1139726514 /nfs/dbraw/zinc/72/65/14/1139726514.db2.gz GJUGQRNOIWFZKF-RBUKOAKNSA-N 2 1 348.918 3.605 20 0 EHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccc1F ZINC000180724152 1139859525 /nfs/dbraw/zinc/85/95/25/1139859525.db2.gz GYAXRNFZOPHAIS-IBGZPJMESA-N 2 1 342.462 3.942 20 0 EHADMP Brc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182271720 1139962398 /nfs/dbraw/zinc/96/23/98/1139962398.db2.gz HFHVABOELNWGQT-JKSUJKDBSA-N 2 1 335.289 3.655 20 0 EHADMP Brc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182271720 1139962405 /nfs/dbraw/zinc/96/24/05/1139962405.db2.gz HFHVABOELNWGQT-JKSUJKDBSA-N 2 1 335.289 3.655 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)c1 ZINC000182833212 1139996183 /nfs/dbraw/zinc/99/61/83/1139996183.db2.gz MKRVKEJBNKEFHE-FQEVSTJZSA-N 2 1 348.437 3.894 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000183250472 1140024641 /nfs/dbraw/zinc/02/46/41/1140024641.db2.gz QJDNYJRLUGSUAV-LJQANCHMSA-N 2 1 326.488 3.503 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC3(C[NH3+])CCCCC3)c2C1 ZINC000184230571 1140089037 /nfs/dbraw/zinc/08/90/37/1140089037.db2.gz MQFQWCUVCCWQCP-UHFFFAOYSA-N 2 1 329.488 3.650 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)CC3(C[NH3+])CCCCC3)c2C1 ZINC000184230571 1140089043 /nfs/dbraw/zinc/08/90/43/1140089043.db2.gz MQFQWCUVCCWQCP-UHFFFAOYSA-N 2 1 329.488 3.650 20 0 EHADMP c1ccc(COCCC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000186369850 1140199961 /nfs/dbraw/zinc/19/99/61/1140199961.db2.gz UTSVXGINEDJIGI-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000191507790 1140468464 /nfs/dbraw/zinc/46/84/64/1140468464.db2.gz MSEAFIGBJZBHPD-QGZVFWFLSA-N 2 1 335.879 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000191507790 1140468468 /nfs/dbraw/zinc/46/84/68/1140468468.db2.gz MSEAFIGBJZBHPD-QGZVFWFLSA-N 2 1 335.879 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000191507790 1140468469 /nfs/dbraw/zinc/46/84/69/1140468469.db2.gz MSEAFIGBJZBHPD-QGZVFWFLSA-N 2 1 335.879 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000191520199 1140469221 /nfs/dbraw/zinc/46/92/21/1140469221.db2.gz NXMFIXUYSPWNJK-OAHLLOKOSA-N 2 1 347.459 3.607 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000191520199 1140469225 /nfs/dbraw/zinc/46/92/25/1140469225.db2.gz NXMFIXUYSPWNJK-OAHLLOKOSA-N 2 1 347.459 3.607 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCO[C@H](C4CC4)C2)C3)cc1 ZINC000193291798 1140569444 /nfs/dbraw/zinc/56/94/44/1140569444.db2.gz DSTATJRUUSKUHK-FAEIBLRNSA-N 2 1 340.511 3.729 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837874 1141004584 /nfs/dbraw/zinc/00/45/84/1141004584.db2.gz QBNQHLKPEUHCAZ-QUCCMNQESA-N 2 1 348.494 3.537 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837874 1141004592 /nfs/dbraw/zinc/00/45/92/1141004592.db2.gz QBNQHLKPEUHCAZ-QUCCMNQESA-N 2 1 348.494 3.537 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCC(F)(F)F)CC2)cc1 ZINC000268978640 1141038801 /nfs/dbraw/zinc/03/88/01/1141038801.db2.gz OBLJRTJDFPASMT-UHFFFAOYSA-N 2 1 332.385 3.765 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000269271583 1141086979 /nfs/dbraw/zinc/08/69/79/1141086979.db2.gz GQIPHZMNSBSBAP-LJQANCHMSA-N 2 1 325.456 3.574 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000271488554 1141379125 /nfs/dbraw/zinc/37/91/25/1141379125.db2.gz KBPZKNSRKVEHFL-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000271488554 1141379132 /nfs/dbraw/zinc/37/91/32/1141379132.db2.gz KBPZKNSRKVEHFL-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1sccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339196070 1141525368 /nfs/dbraw/zinc/52/53/68/1141525368.db2.gz RUNAHOFHUAXXSW-IYBDPMFKSA-N 2 1 344.524 3.956 20 0 EHADMP CCc1nocc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000339237035 1141537508 /nfs/dbraw/zinc/53/75/08/1141537508.db2.gz LGJPPZOIATXXBB-UHFFFAOYSA-N 2 1 327.472 3.759 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000349145949 1141645156 /nfs/dbraw/zinc/64/51/56/1141645156.db2.gz GBLBDGFLBROEAG-UHFFFAOYSA-N 2 1 328.435 3.978 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000349145949 1141645159 /nfs/dbraw/zinc/64/51/59/1141645159.db2.gz GBLBDGFLBROEAG-UHFFFAOYSA-N 2 1 328.435 3.978 20 0 EHADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2cc(Br)ccc2o1 ZINC000019959019 212090842 /nfs/dbraw/zinc/09/08/42/212090842.db2.gz KDGMXCMJQUKTRW-NSHDSACASA-N 2 1 325.250 3.798 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000037644589 521717706 /nfs/dbraw/zinc/71/77/06/521717706.db2.gz JTSKNFQXFNVEED-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000017313849 523777123 /nfs/dbraw/zinc/77/71/23/523777123.db2.gz HITREDSRYZWHEG-UHFFFAOYSA-N 2 1 346.478 3.723 20 0 EHADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164449151 718991521 /nfs/dbraw/zinc/99/15/21/718991521.db2.gz LVNUXCVIRSJJHP-IBGZPJMESA-N 2 1 339.487 3.544 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164449151 718991527 /nfs/dbraw/zinc/99/15/27/718991527.db2.gz LVNUXCVIRSJJHP-IBGZPJMESA-N 2 1 339.487 3.544 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC001165037938 721898502 /nfs/dbraw/zinc/89/85/02/721898502.db2.gz OKHBIQSYINYEOC-RBUKOAKNSA-N 2 1 330.520 3.549 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000394063456 1020181350 /nfs/dbraw/zinc/18/13/50/1020181350.db2.gz DEOIFDCLIDRNKU-GFCCVEGCSA-N 2 1 331.323 3.819 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccs1 ZINC000182264862 1032084146 /nfs/dbraw/zinc/08/41/46/1032084146.db2.gz BHMMVJQSMYQGTA-ZWKOTPCHSA-N 2 1 330.497 3.556 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000579778667 1014469141 /nfs/dbraw/zinc/46/91/41/1014469141.db2.gz VFJHUBALXCYZMO-YADHBBJMSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000579778667 1014469145 /nfs/dbraw/zinc/46/91/45/1014469145.db2.gz VFJHUBALXCYZMO-YADHBBJMSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000579778667 1014469150 /nfs/dbraw/zinc/46/91/50/1014469150.db2.gz VFJHUBALXCYZMO-YADHBBJMSA-N 2 1 342.527 3.647 20 0 EHADMP c1cc2cccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)c2o1 ZINC000449062348 1032107394 /nfs/dbraw/zinc/10/73/94/1032107394.db2.gz LLBWCYDJWWZBGU-UHFFFAOYSA-N 2 1 336.435 3.555 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(c3ccccc3Cl)C2)s1 ZINC000339586993 1015083412 /nfs/dbraw/zinc/08/34/12/1015083412.db2.gz BXIXUFSJNJGVLH-UHFFFAOYSA-N 2 1 335.904 3.894 20 0 EHADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274876132 1015563317 /nfs/dbraw/zinc/56/33/17/1015563317.db2.gz GQSDEMAEXAQMKU-AMGDKJTDSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274876132 1015563323 /nfs/dbraw/zinc/56/33/23/1015563323.db2.gz GQSDEMAEXAQMKU-AMGDKJTDSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876132 1015563333 /nfs/dbraw/zinc/56/33/33/1015563333.db2.gz GQSDEMAEXAQMKU-AMGDKJTDSA-N 2 1 341.543 3.502 20 0 EHADMP CC[NH+](CC)CCN(Cc1cccs1)Cc1cc(OC)cc(C)[nH+]1 ZINC000339825681 1015709624 /nfs/dbraw/zinc/70/96/24/1015709624.db2.gz WTWKBBBPZIQJSK-UHFFFAOYSA-N 2 1 347.528 3.804 20 0 EHADMP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459451713 1032138197 /nfs/dbraw/zinc/13/81/97/1032138197.db2.gz QQLUPZUNACJNIR-LEWJYISDSA-N 2 1 328.500 3.901 20 0 EHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000538116447 1032142740 /nfs/dbraw/zinc/14/27/40/1032142740.db2.gz KMMHIJOWRBWMCB-YESZJQIVSA-N 2 1 338.923 3.750 20 0 EHADMP COCC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000361317686 1016498208 /nfs/dbraw/zinc/49/82/08/1016498208.db2.gz BLLBQVINIFRPMW-RTWAWAEBSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317686 1016498220 /nfs/dbraw/zinc/49/82/20/1016498220.db2.gz BLLBQVINIFRPMW-RTWAWAEBSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317686 1016498229 /nfs/dbraw/zinc/49/82/29/1016498229.db2.gz BLLBQVINIFRPMW-RTWAWAEBSA-N 2 1 342.527 3.790 20 0 EHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[NH+](CC1(O)CCCCC1)C2 ZINC000705934973 1016667684 /nfs/dbraw/zinc/66/76/84/1016667684.db2.gz QVVGJNGNBZLHMG-SFTDATJTSA-N 2 1 342.527 3.526 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000275517630 1016956168 /nfs/dbraw/zinc/95/61/68/1016956168.db2.gz YQGBGINIRMDXMO-VQTJNVASSA-N 2 1 334.479 3.854 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449072683 1032159397 /nfs/dbraw/zinc/15/93/97/1032159397.db2.gz GFZQRYKLZCAQCZ-OLZOCXBDSA-N 2 1 343.298 3.835 20 0 EHADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c(C)n1 ZINC000459478346 1032171828 /nfs/dbraw/zinc/17/18/28/1032171828.db2.gz IAVCESFHEGUXJG-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000536707213 1032185145 /nfs/dbraw/zinc/18/51/45/1032185145.db2.gz FUAPVPGUPGNRFJ-OAQYLSRUSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000536707213 1032185149 /nfs/dbraw/zinc/18/51/49/1032185149.db2.gz FUAPVPGUPGNRFJ-OAQYLSRUSA-N 2 1 344.543 3.893 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000536707213 1032185155 /nfs/dbraw/zinc/18/51/55/1032185155.db2.gz FUAPVPGUPGNRFJ-OAQYLSRUSA-N 2 1 344.543 3.893 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449108975 1032190610 /nfs/dbraw/zinc/19/06/10/1032190610.db2.gz WLAOOLLHZLDJLN-LJQANCHMSA-N 2 1 348.918 3.976 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCCn2cccn2)cc1 ZINC000183682595 1032193380 /nfs/dbraw/zinc/19/33/80/1032193380.db2.gz MJPXJEUJEQQHMV-QGZVFWFLSA-N 2 1 337.471 3.898 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634030 1032208963 /nfs/dbraw/zinc/20/89/63/1032208963.db2.gz PCXXSSCCFFGKEG-LQWHRVPQSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634030 1032208976 /nfs/dbraw/zinc/20/89/76/1032208976.db2.gz PCXXSSCCFFGKEG-LQWHRVPQSA-N 2 1 338.495 3.966 20 0 EHADMP c1sc(CC[NH2+]C2CC[NH+](C3CC3)CC2)nc1C1CCCCC1 ZINC000459489263 1032211289 /nfs/dbraw/zinc/21/12/89/1032211289.db2.gz XNSMYARLCWIWAX-UHFFFAOYSA-N 2 1 333.545 3.950 20 0 EHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000459529125 1032249544 /nfs/dbraw/zinc/24/95/44/1032249544.db2.gz RHPVTFOQJQPRIY-UHFFFAOYSA-N 2 1 346.544 3.793 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000449220095 1032338897 /nfs/dbraw/zinc/33/88/97/1032338897.db2.gz PCSMPBDMFCRGJQ-UHFFFAOYSA-N 2 1 337.439 3.664 20 0 EHADMP Cc1cccc(C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000536860069 1032359516 /nfs/dbraw/zinc/35/95/16/1032359516.db2.gz YOTZSRRMPRUFEA-XQBPLPMBSA-N 2 1 344.543 3.795 20 0 EHADMP Cc1cccc(CC[NH+]2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000449265198 1032413748 /nfs/dbraw/zinc/41/37/48/1032413748.db2.gz PCPHWHGHGXUKPD-QFIPXVFZSA-N 2 1 337.511 3.919 20 0 EHADMP Cc1cccc(CC[NH+]2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)c1 ZINC000449265198 1032413756 /nfs/dbraw/zinc/41/37/56/1032413756.db2.gz PCPHWHGHGXUKPD-QFIPXVFZSA-N 2 1 337.511 3.919 20 0 EHADMP Cc1cccc(CC[N@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000449265198 1032413761 /nfs/dbraw/zinc/41/37/61/1032413761.db2.gz PCPHWHGHGXUKPD-QFIPXVFZSA-N 2 1 337.511 3.919 20 0 EHADMP Cc1cccc(CC[N@@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000449265198 1032413768 /nfs/dbraw/zinc/41/37/68/1032413768.db2.gz PCPHWHGHGXUKPD-QFIPXVFZSA-N 2 1 337.511 3.919 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459723605 1032430814 /nfs/dbraw/zinc/43/08/14/1032430814.db2.gz AGRHZZGNEQRNQW-ZACQAIPSSA-N 2 1 334.504 3.517 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329569 1032442128 /nfs/dbraw/zinc/44/21/28/1032442128.db2.gz ISTCWVIVZJVYLQ-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329569 1032442132 /nfs/dbraw/zinc/44/21/32/1032442132.db2.gz ISTCWVIVZJVYLQ-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329569 1032442139 /nfs/dbraw/zinc/44/21/39/1032442139.db2.gz ISTCWVIVZJVYLQ-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449329569 1032442143 /nfs/dbraw/zinc/44/21/43/1032442143.db2.gz ISTCWVIVZJVYLQ-RDTXWAMCSA-N 2 1 345.487 3.865 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024587 1032489363 /nfs/dbraw/zinc/48/93/63/1032489363.db2.gz QUJVQKOMLFZVEN-XLIONFOSSA-N 2 1 339.483 3.796 20 0 EHADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000090113636 1032574480 /nfs/dbraw/zinc/57/44/80/1032574480.db2.gz RDSVVHQVOWBXGP-HKUYNNGSSA-N 2 1 348.556 3.541 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246038915 1032621285 /nfs/dbraw/zinc/62/12/85/1032621285.db2.gz WWYNJPKWLNKFDG-ASKKUZCQSA-N 2 1 326.488 3.525 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nc1 ZINC000892748878 1017310585 /nfs/dbraw/zinc/31/05/85/1017310585.db2.gz HSOZJGMROMPIPK-UHFFFAOYSA-N 2 1 339.483 3.756 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000634685133 1017333042 /nfs/dbraw/zinc/33/30/42/1017333042.db2.gz HWQULGBLTRQDRZ-VQTJNVASSA-N 2 1 342.527 3.836 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655720474 1017456565 /nfs/dbraw/zinc/45/65/65/1017456565.db2.gz XSYYHHYXFLQWJJ-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655720474 1017456572 /nfs/dbraw/zinc/45/65/72/1017456572.db2.gz XSYYHHYXFLQWJJ-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OCC ZINC000415053135 1017462497 /nfs/dbraw/zinc/46/24/97/1017462497.db2.gz ODUUHKRXRXSEGW-MOPGFXCFSA-N 2 1 346.515 3.838 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CCCO1 ZINC000415105020 1017548150 /nfs/dbraw/zinc/54/81/50/1017548150.db2.gz FPEIGYNDHBNWGP-HNNXBMFYSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CCCO1 ZINC000415105020 1017548153 /nfs/dbraw/zinc/54/81/53/1017548153.db2.gz FPEIGYNDHBNWGP-HNNXBMFYSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000415109095 1017563998 /nfs/dbraw/zinc/56/39/98/1017563998.db2.gz NOPRHVLEWSQZEF-SJORKVTESA-N 2 1 343.298 3.712 20 0 EHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C1 ZINC000415118513 1017574531 /nfs/dbraw/zinc/57/45/31/1017574531.db2.gz DHVFYCMFBWXAMM-GUYCJALGSA-N 2 1 343.298 3.712 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(C)C ZINC000340419994 1017706757 /nfs/dbraw/zinc/70/67/57/1017706757.db2.gz ZLRISNZBDWVKEC-RTBURBONSA-N 2 1 346.515 3.837 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(C)C ZINC000340419994 1017706771 /nfs/dbraw/zinc/70/67/71/1017706771.db2.gz ZLRISNZBDWVKEC-RTBURBONSA-N 2 1 346.515 3.837 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000580302089 1017733344 /nfs/dbraw/zinc/73/33/44/1017733344.db2.gz LRLVTCMIXLECQF-LEWJYISDSA-N 2 1 342.527 3.846 20 0 EHADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000655838684 1017737669 /nfs/dbraw/zinc/73/76/69/1017737669.db2.gz HKFPMQQBTDRDKH-MXVIHJGJSA-N 2 1 348.506 3.768 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000655848846 1017775871 /nfs/dbraw/zinc/77/58/71/1017775871.db2.gz KKXAMJWMGBDXSS-NRDMVMEKSA-N 2 1 330.516 3.977 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000655848846 1017775878 /nfs/dbraw/zinc/77/58/78/1017775878.db2.gz KKXAMJWMGBDXSS-NRDMVMEKSA-N 2 1 330.516 3.977 20 0 EHADMP OC[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000564958724 1017794315 /nfs/dbraw/zinc/79/43/15/1017794315.db2.gz JSSVZOWDZKAIBO-LEWJYISDSA-N 2 1 336.479 3.507 20 0 EHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OCC(F)(F)F)cc1 ZINC000579974662 1017925421 /nfs/dbraw/zinc/92/54/21/1017925421.db2.gz SACYVZQTVBWFMM-ZDUSSCGKSA-N 2 1 341.377 3.645 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000655942170 1017969926 /nfs/dbraw/zinc/96/99/26/1017969926.db2.gz KECRHJOYUDMIMF-QKNQBKEWSA-N 2 1 346.515 3.679 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCCc4c(O)cccc43)CC2)[nH+]c1 ZINC000340479710 1018034442 /nfs/dbraw/zinc/03/44/42/1018034442.db2.gz MVUIZYBDLHCVOI-LJQANCHMSA-N 2 1 337.467 3.732 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn3ccnc3s2)[C@@H]1c1cccs1 ZINC000893021635 1018187442 /nfs/dbraw/zinc/18/74/42/1018187442.db2.gz VQFJEZQDRJJRBK-XJKSGUPXSA-N 2 1 346.525 3.630 20 0 EHADMP C[N@@H+](CCN1CC[NH+](CCC2=CCCCC2)CC1)Cc1ccccc1 ZINC001167337370 1018271878 /nfs/dbraw/zinc/27/18/78/1018271878.db2.gz OPCMNLFQKFJDPK-UHFFFAOYSA-N 2 1 341.543 3.627 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472853869 1018313839 /nfs/dbraw/zinc/31/38/39/1018313839.db2.gz UEPZYDUOJXEUHX-MSOLQXFVSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472853869 1018313853 /nfs/dbraw/zinc/31/38/53/1018313853.db2.gz UEPZYDUOJXEUHX-MSOLQXFVSA-N 2 1 349.950 3.893 20 0 EHADMP Cc1cc(F)ncc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000893098110 1018461033 /nfs/dbraw/zinc/46/10/33/1018461033.db2.gz GFNGDUYHSWODPG-LPHOPBHVSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000893098110 1018461046 /nfs/dbraw/zinc/46/10/46/1018461046.db2.gz GFNGDUYHSWODPG-LPHOPBHVSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000893098110 1018461053 /nfs/dbraw/zinc/46/10/53/1018461053.db2.gz GFNGDUYHSWODPG-LPHOPBHVSA-N 2 1 327.447 3.672 20 0 EHADMP C/C(=C/c1ccccc1)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000255290297 1018887210 /nfs/dbraw/zinc/88/72/10/1018887210.db2.gz HQUPWONHKIUPQH-RRICMXKVSA-N 2 1 341.543 3.580 20 0 EHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000261755416 1018927195 /nfs/dbraw/zinc/92/71/95/1018927195.db2.gz CLRXNFVITCTYEQ-HNNXBMFYSA-N 2 1 345.284 3.897 20 0 EHADMP COC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615538 1018996447 /nfs/dbraw/zinc/99/64/47/1018996447.db2.gz AVCPKAYWPBWVNL-NQIIRXRSSA-N 2 1 326.484 3.874 20 0 EHADMP COC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000379615538 1018996460 /nfs/dbraw/zinc/99/64/60/1018996460.db2.gz AVCPKAYWPBWVNL-NQIIRXRSSA-N 2 1 326.484 3.874 20 0 EHADMP Fc1ccc2c(cc[nH+]c2NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000664152179 1019012795 /nfs/dbraw/zinc/01/27/95/1019012795.db2.gz KONZNJSPMCCREI-UHFFFAOYSA-N 2 1 343.446 3.677 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000122742895 1019368298 /nfs/dbraw/zinc/36/82/98/1019368298.db2.gz KWAOOFLGZLOTCX-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000122742895 1019368312 /nfs/dbraw/zinc/36/83/12/1019368312.db2.gz KWAOOFLGZLOTCX-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000122742895 1019368326 /nfs/dbraw/zinc/36/83/26/1019368326.db2.gz KWAOOFLGZLOTCX-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000122742895 1019368337 /nfs/dbraw/zinc/36/83/37/1019368337.db2.gz KWAOOFLGZLOTCX-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CC(C)(C)[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406807 1019435809 /nfs/dbraw/zinc/43/58/09/1019435809.db2.gz WTWGFEWUVLCRNZ-UNMCSNQZSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406807 1019435814 /nfs/dbraw/zinc/43/58/14/1019435814.db2.gz WTWGFEWUVLCRNZ-UNMCSNQZSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001167406807 1019435819 /nfs/dbraw/zinc/43/58/19/1019435819.db2.gz WTWGFEWUVLCRNZ-UNMCSNQZSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001167406807 1019435825 /nfs/dbraw/zinc/43/58/25/1019435825.db2.gz WTWGFEWUVLCRNZ-UNMCSNQZSA-N 2 1 344.543 3.772 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513656463 1019911260 /nfs/dbraw/zinc/91/12/60/1019911260.db2.gz TUGSRZNPCJQPQK-XDNAFOTISA-N 2 1 348.556 3.886 20 0 EHADMP C(=C\C[N@@H+](Cc1ccccn1)C1CC1)\C[NH+](Cc1ccccn1)C1CC1 ZINC000263634269 1019947386 /nfs/dbraw/zinc/94/73/86/1019947386.db2.gz FRUJVZSLRBIQKX-WAYWQWQTSA-N 2 1 348.494 3.662 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975407 /nfs/dbraw/zinc/97/54/07/1019975407.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975414 /nfs/dbraw/zinc/97/54/14/1019975414.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975421 /nfs/dbraw/zinc/97/54/21/1019975421.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CC[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975432 /nfs/dbraw/zinc/97/54/32/1019975432.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975440 /nfs/dbraw/zinc/97/54/40/1019975440.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CC[NH+]1CC[C@H](NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975460 /nfs/dbraw/zinc/97/54/60/1019975460.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CC[NH+]1CC[C@H](NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975476 /nfs/dbraw/zinc/97/54/76/1019975476.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975485 /nfs/dbraw/zinc/97/54/85/1019975485.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000469122029 1019975499 /nfs/dbraw/zinc/97/54/99/1019975499.db2.gz XYWDBVHIJFSYJD-KNKQGSTJSA-N 2 1 343.559 3.881 20 0 EHADMP CC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345188280 1020041678 /nfs/dbraw/zinc/04/16/78/1020041678.db2.gz JXYHIKOUIJTFNW-HNNXBMFYSA-N 2 1 330.394 3.548 20 0 EHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cncc(Br)c1 ZINC000580963445 1020308950 /nfs/dbraw/zinc/30/89/50/1020308950.db2.gz OIUKGOMZWPLTDQ-LLVKDONJSA-N 2 1 340.309 3.804 20 0 EHADMP Cc1cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C(C)C ZINC000606901333 1032892124 /nfs/dbraw/zinc/89/21/24/1032892124.db2.gz CFCKGHZXRABMNP-IBGZPJMESA-N 2 1 330.516 3.915 20 0 EHADMP Cc1cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C(C)C ZINC000606901333 1032892140 /nfs/dbraw/zinc/89/21/40/1032892140.db2.gz CFCKGHZXRABMNP-IBGZPJMESA-N 2 1 330.516 3.915 20 0 EHADMP CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000548156422 1020563704 /nfs/dbraw/zinc/56/37/04/1020563704.db2.gz HSSASRSGHTXLOB-NNWRFLSQSA-N 2 1 343.559 3.607 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510375722 1020625785 /nfs/dbraw/zinc/62/57/85/1020625785.db2.gz JJAZBUDPHUQNIC-UYAOXDASSA-N 2 1 334.479 3.636 20 0 EHADMP CC(C)[NH+](CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(C)C ZINC000156254770 1021049199 /nfs/dbraw/zinc/04/91/99/1021049199.db2.gz HLTVINPQMOIODI-UHFFFAOYSA-N 2 1 343.515 3.528 20 0 EHADMP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC[NH+](C)CC1 ZINC000153857984 1021078901 /nfs/dbraw/zinc/07/89/01/1021078901.db2.gz RZXKGYRSHUCBRH-MOPGFXCFSA-N 3 1 343.559 3.970 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168248 1021094288 /nfs/dbraw/zinc/09/42/88/1021094288.db2.gz ASLYFGCZZGAHEL-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCc3ccccn3)CC[N@@H+]2C2CC2)cc1 ZINC000638785384 1021210405 /nfs/dbraw/zinc/21/04/05/1021210405.db2.gz AYJOSBGSBBODCY-IRLDBZIGSA-N 2 1 335.495 3.972 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCc3ccccn3)CC[N@H+]2C2CC2)cc1 ZINC000638785384 1021210412 /nfs/dbraw/zinc/21/04/12/1021210412.db2.gz AYJOSBGSBBODCY-IRLDBZIGSA-N 2 1 335.495 3.972 20 0 EHADMP CCC[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000581635195 1021214549 /nfs/dbraw/zinc/21/45/49/1021214549.db2.gz VUMSMSVSZYBTAY-HXUWFJFHSA-N 2 1 331.548 3.528 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507402470 1021252677 /nfs/dbraw/zinc/25/26/77/1021252677.db2.gz MLYIWAMAPRMHOP-FVQBIDKESA-N 2 1 326.406 3.853 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507498156 1021295796 /nfs/dbraw/zinc/29/57/96/1021295796.db2.gz UNSXVJDQEFCUSN-MBDNFAEBSA-N 2 1 344.543 3.674 20 0 EHADMP Cc1noc2ncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc3ccccc3)cc12 ZINC000894322750 1021326493 /nfs/dbraw/zinc/32/64/93/1021326493.db2.gz DBNNIWPUSOIHLN-OAHLLOKOSA-N 2 1 338.455 3.531 20 0 EHADMP Cc1noc2ncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc3ccccc3)cc12 ZINC000894322750 1021326507 /nfs/dbraw/zinc/32/65/07/1021326507.db2.gz DBNNIWPUSOIHLN-OAHLLOKOSA-N 2 1 338.455 3.531 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)cc1O ZINC000426366009 1021393763 /nfs/dbraw/zinc/39/37/63/1021393763.db2.gz NYZFFAUNENAFDL-MJGOQNOKSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)cc1O ZINC000426366009 1021393783 /nfs/dbraw/zinc/39/37/83/1021393783.db2.gz NYZFFAUNENAFDL-MJGOQNOKSA-N 2 1 348.531 3.822 20 0 EHADMP COCC(C)(C)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426401388 1021481054 /nfs/dbraw/zinc/48/10/54/1021481054.db2.gz PACMTMWRRPBREP-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP COCC(C)(C)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426401388 1021481059 /nfs/dbraw/zinc/48/10/59/1021481059.db2.gz PACMTMWRRPBREP-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP [NH3+]Cc1nc2ccc(Cl)cc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964892 1021630604 /nfs/dbraw/zinc/63/06/04/1021630604.db2.gz ZSPWVQZMPWFZMH-XYPWUTKMSA-N 2 1 344.890 3.726 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518977193 1021736114 /nfs/dbraw/zinc/73/61/14/1021736114.db2.gz CGEIACUFAXCSCZ-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518977193 1021736126 /nfs/dbraw/zinc/73/61/26/1021736126.db2.gz CGEIACUFAXCSCZ-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP CC[C@H](c1ccccc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368386 1021868833 /nfs/dbraw/zinc/86/88/33/1021868833.db2.gz MSUZAHPWLSELFV-LVCYWYKZSA-N 2 1 330.516 3.959 20 0 EHADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999512 1021926329 /nfs/dbraw/zinc/92/63/29/1021926329.db2.gz QSFBGORQUOJXFL-FCEUIQTBSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999512 1021926340 /nfs/dbraw/zinc/92/63/40/1021926340.db2.gz QSFBGORQUOJXFL-FCEUIQTBSA-N 2 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999512 1021926348 /nfs/dbraw/zinc/92/63/48/1021926348.db2.gz QSFBGORQUOJXFL-FCEUIQTBSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999512 1021926356 /nfs/dbraw/zinc/92/63/56/1021926356.db2.gz QSFBGORQUOJXFL-FCEUIQTBSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999512 1021926365 /nfs/dbraw/zinc/92/63/65/1021926365.db2.gz QSFBGORQUOJXFL-FCEUIQTBSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999512 1021926378 /nfs/dbraw/zinc/92/63/78/1021926378.db2.gz QSFBGORQUOJXFL-FCEUIQTBSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000516999512 1021926385 /nfs/dbraw/zinc/92/63/85/1021926385.db2.gz QSFBGORQUOJXFL-FCEUIQTBSA-N 3 1 343.559 3.609 20 0 EHADMP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000276662068 1022062263 /nfs/dbraw/zinc/06/22/63/1022062263.db2.gz QZAVOAMEAVQPDY-AFVILVPDSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000276662068 1022062275 /nfs/dbraw/zinc/06/22/75/1022062275.db2.gz QZAVOAMEAVQPDY-AFVILVPDSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000440338808 1022112481 /nfs/dbraw/zinc/11/24/81/1022112481.db2.gz LKPNTQYIGRLWMN-INIZCTEOSA-N 2 1 344.528 3.807 20 0 EHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000517240459 1022162106 /nfs/dbraw/zinc/16/21/06/1022162106.db2.gz FTLROINNANLJPW-AWEZNQCLSA-N 2 1 329.513 3.853 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053412 1022171057 /nfs/dbraw/zinc/17/10/57/1022171057.db2.gz OMBHYEJTLBUGKD-WMZOPIPTSA-N 2 1 327.497 3.774 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C3CC3)cc2F)[C@@H](C)C1 ZINC000425914815 1022193984 /nfs/dbraw/zinc/19/39/84/1022193984.db2.gz CISUMMOBPWGQEK-HRAATJIYSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@@H](C)C1 ZINC000425914815 1022193991 /nfs/dbraw/zinc/19/39/91/1022193991.db2.gz CISUMMOBPWGQEK-HRAATJIYSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@@H](C)C1 ZINC000425914815 1022193996 /nfs/dbraw/zinc/19/39/96/1022193996.db2.gz CISUMMOBPWGQEK-HRAATJIYSA-N 2 1 348.506 3.930 20 0 EHADMP CSC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000425919142 1022216788 /nfs/dbraw/zinc/21/67/88/1022216788.db2.gz FTZLUJRZLYZOHJ-IUODEOHRSA-N 2 1 334.451 3.897 20 0 EHADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406692 1022235320 /nfs/dbraw/zinc/23/53/20/1022235320.db2.gz YVVWTMONFVIFAD-ICSRJNTNSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406692 1022235336 /nfs/dbraw/zinc/23/53/36/1022235336.db2.gz YVVWTMONFVIFAD-ICSRJNTNSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441406692 1022235347 /nfs/dbraw/zinc/23/53/47/1022235347.db2.gz YVVWTMONFVIFAD-ICSRJNTNSA-N 2 1 328.500 3.631 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)C[NH+](C)C ZINC000425936306 1022268716 /nfs/dbraw/zinc/26/87/16/1022268716.db2.gz MENBLFQDZGFTLV-FZMZJTMJSA-N 2 1 331.287 3.994 20 0 EHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000517388140 1022298419 /nfs/dbraw/zinc/29/84/19/1022298419.db2.gz XNLRFHJURYYLMB-XLIONFOSSA-N 2 1 346.478 3.851 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)C1 ZINC000438078486 1022359486 /nfs/dbraw/zinc/35/94/86/1022359486.db2.gz IDZPDPFOLNNRPZ-LVCYWYKZSA-N 2 1 330.516 3.681 20 0 EHADMP c1ccc(CO[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995506 1022442879 /nfs/dbraw/zinc/44/28/79/1022442879.db2.gz IABHMENOUNGGDC-IUPYZPJSSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(CO[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167995506 1022442888 /nfs/dbraw/zinc/44/28/88/1022442888.db2.gz IABHMENOUNGGDC-IUPYZPJSSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(CO[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995506 1022442898 /nfs/dbraw/zinc/44/28/98/1022442898.db2.gz IABHMENOUNGGDC-IUPYZPJSSA-N 2 1 340.511 3.683 20 0 EHADMP Clc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647978637 1022468496 /nfs/dbraw/zinc/46/84/96/1022468496.db2.gz WGNLRIBEEBAVBH-OLZOCXBDSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647978637 1022468507 /nfs/dbraw/zinc/46/85/07/1022468507.db2.gz WGNLRIBEEBAVBH-OLZOCXBDSA-N 2 1 328.287 3.600 20 0 EHADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969781 1022510744 /nfs/dbraw/zinc/51/07/44/1022510744.db2.gz XPZGXHXPINPATG-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425969781 1022510754 /nfs/dbraw/zinc/51/07/54/1022510754.db2.gz XPZGXHXPINPATG-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@@H](C)[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425969781 1022510765 /nfs/dbraw/zinc/51/07/65/1022510765.db2.gz XPZGXHXPINPATG-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1cccc([C@@H](C)[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425969781 1022510778 /nfs/dbraw/zinc/51/07/78/1022510778.db2.gz XPZGXHXPINPATG-DENIHFKCSA-N 2 1 338.495 3.625 20 0 EHADMP Oc1cccc2c1C[C@@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562727 1022554082 /nfs/dbraw/zinc/55/40/82/1022554082.db2.gz YDKITRUJSZKQSU-VMXMFDLUSA-N 2 1 348.490 3.502 20 0 EHADMP CC1CCN(C(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000341623074 1022589771 /nfs/dbraw/zinc/58/97/71/1022589771.db2.gz DLJKPZWTXGIMDX-SFHVURJKSA-N 2 1 342.531 3.817 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Br)s3)C2)CC1 ZINC000550200616 1022719023 /nfs/dbraw/zinc/71/90/23/1022719023.db2.gz PTPUHMUJXGSSTH-CYBMUJFWSA-N 2 1 343.334 3.674 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167979270 1022745331 /nfs/dbraw/zinc/74/53/31/1022745331.db2.gz ZECVOEYXGXTGGD-SMLSOGCJSA-N 2 1 325.500 3.836 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)nc1 ZINC001167979270 1022745343 /nfs/dbraw/zinc/74/53/43/1022745343.db2.gz ZECVOEYXGXTGGD-SMLSOGCJSA-N 2 1 325.500 3.836 20 0 EHADMP [NH3+]Cc1ccc(-c2cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cn2)cc1 ZINC001167981771 1022785304 /nfs/dbraw/zinc/78/53/04/1022785304.db2.gz JGFTUUZGSHOVOI-YOFSQIOKSA-N 2 1 336.483 3.587 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414934885 1022796551 /nfs/dbraw/zinc/79/65/51/1022796551.db2.gz VMZOBNUZJAZTCS-VQIMIIECSA-N 2 1 345.531 3.895 20 0 EHADMP COc1c(F)cccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982065 1022804221 /nfs/dbraw/zinc/80/42/21/1022804221.db2.gz UZVFLLKGZBRNBN-LNRIEFBSSA-N 2 1 332.463 3.890 20 0 EHADMP COc1c(F)cccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982065 1022804238 /nfs/dbraw/zinc/80/42/38/1022804238.db2.gz UZVFLLKGZBRNBN-LNRIEFBSSA-N 2 1 332.463 3.890 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000550239176 1022827538 /nfs/dbraw/zinc/82/75/38/1022827538.db2.gz RLMXVOJWTNZQBQ-KRWDZBQOSA-N 2 1 327.299 3.954 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH2+]1 ZINC000414946800 1022977979 /nfs/dbraw/zinc/97/79/79/1022977979.db2.gz KCZFYPWXCUTWIN-KSSFIOAISA-N 2 1 345.874 3.544 20 0 EHADMP c1[nH]nc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc12 ZINC000520467142 1023007138 /nfs/dbraw/zinc/00/71/38/1023007138.db2.gz DBZUJYQUTHFWRL-NHCUHLMSSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc12 ZINC000520467142 1023007144 /nfs/dbraw/zinc/00/71/44/1023007144.db2.gz DBZUJYQUTHFWRL-NHCUHLMSSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc12 ZINC000520467142 1023007152 /nfs/dbraw/zinc/00/71/52/1023007152.db2.gz DBZUJYQUTHFWRL-NHCUHLMSSA-N 2 1 346.478 3.517 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176311 1023043123 /nfs/dbraw/zinc/04/31/23/1023043123.db2.gz ZDBWKGBBMMFWPM-SJLPKXTDSA-N 2 1 334.504 3.576 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176311 1023043132 /nfs/dbraw/zinc/04/31/32/1023043132.db2.gz ZDBWKGBBMMFWPM-SJLPKXTDSA-N 2 1 334.504 3.576 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000414959183 1023066776 /nfs/dbraw/zinc/06/67/76/1023066776.db2.gz RXRVWJAEACQFAG-RZFNWQHOSA-N 2 1 349.522 3.516 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000165338648 1023071775 /nfs/dbraw/zinc/07/17/75/1023071775.db2.gz XCDUZQPTWZXXLW-CVEARBPZSA-N 2 1 344.478 3.702 20 0 EHADMP c1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1OCC2 ZINC000441487280 1023187529 /nfs/dbraw/zinc/18/75/29/1023187529.db2.gz GJEDIFOYHBDQJR-FQEVSTJZSA-N 2 1 342.527 3.752 20 0 EHADMP C[C@H](c1ccccc1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCC1 ZINC000431061698 1023190560 /nfs/dbraw/zinc/19/05/60/1023190560.db2.gz LZDKATVZYFHFOY-CQSZACIVSA-N 2 1 328.460 3.627 20 0 EHADMP C[C@H](c1ccccc1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCC1 ZINC000431061698 1023190567 /nfs/dbraw/zinc/19/05/67/1023190567.db2.gz LZDKATVZYFHFOY-CQSZACIVSA-N 2 1 328.460 3.627 20 0 EHADMP COCc1ccccc1/C=C(\C)CN[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000510809564 1023199924 /nfs/dbraw/zinc/19/99/24/1023199924.db2.gz HKGUWRVYOCXMON-NXNYUAIASA-N 2 1 328.500 3.843 20 0 EHADMP CCC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000431084358 1023229521 /nfs/dbraw/zinc/22/95/21/1023229521.db2.gz GMNHIBKKAJNWNJ-UHFFFAOYSA-N 2 1 333.863 3.959 20 0 EHADMP CCC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000431084358 1023229531 /nfs/dbraw/zinc/22/95/31/1023229531.db2.gz GMNHIBKKAJNWNJ-UHFFFAOYSA-N 2 1 333.863 3.959 20 0 EHADMP CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000431099271 1023253569 /nfs/dbraw/zinc/25/35/69/1023253569.db2.gz IRJKQESMGJODJF-UHFFFAOYSA-N 2 1 330.394 3.548 20 0 EHADMP Cc1ncsc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000093006866 1023442694 /nfs/dbraw/zinc/44/26/94/1023442694.db2.gz PQYNOVURMOYLAP-UHFFFAOYSA-N 2 1 329.513 3.796 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000449737352 1033136673 /nfs/dbraw/zinc/13/66/73/1033136673.db2.gz ZDIQLBQCRSGQKI-KSEOMHKRSA-N 2 1 335.495 3.699 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000535668295 1023552833 /nfs/dbraw/zinc/55/28/33/1023552833.db2.gz UNGVYHNRJWIMLE-UHFFFAOYSA-N 2 1 327.472 3.632 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449760751 1033152562 /nfs/dbraw/zinc/15/25/62/1033152562.db2.gz RCFUAXAIRNBTHJ-MJUUVYJYSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000535811537 1023652981 /nfs/dbraw/zinc/65/29/81/1023652981.db2.gz YWLRJHJVKVCZJJ-UHFFFAOYSA-N 2 1 334.895 3.540 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C2 ZINC000474064662 1023980103 /nfs/dbraw/zinc/98/01/03/1023980103.db2.gz JRMAGGLUBMZXRG-BHIFYINESA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C2 ZINC000474064662 1023980119 /nfs/dbraw/zinc/98/01/19/1023980119.db2.gz JRMAGGLUBMZXRG-BHIFYINESA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C2 ZINC000474064663 1023980167 /nfs/dbraw/zinc/98/01/67/1023980167.db2.gz JRMAGGLUBMZXRG-FDFHNCONSA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C2 ZINC000474064663 1023980178 /nfs/dbraw/zinc/98/01/78/1023980178.db2.gz JRMAGGLUBMZXRG-FDFHNCONSA-N 2 1 342.527 3.620 20 0 EHADMP C[C@H]1C[C@H](N(C)CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000093644556 1023984846 /nfs/dbraw/zinc/98/48/46/1023984846.db2.gz IVGXVWSQHJTHGQ-AZUAARDMSA-N 2 1 331.548 3.559 20 0 EHADMP C[C@H]1C[C@H](N(C)CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644556 1023984859 /nfs/dbraw/zinc/98/48/59/1023984859.db2.gz IVGXVWSQHJTHGQ-AZUAARDMSA-N 2 1 331.548 3.559 20 0 EHADMP C[C@H]1C[C@H](N(C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000093644556 1023984870 /nfs/dbraw/zinc/98/48/70/1023984870.db2.gz IVGXVWSQHJTHGQ-AZUAARDMSA-N 2 1 331.548 3.559 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000475036774 1024180840 /nfs/dbraw/zinc/18/08/40/1024180840.db2.gz ZUPIKZHDAGTQQJ-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475036774 1024180844 /nfs/dbraw/zinc/18/08/44/1024180844.db2.gz ZUPIKZHDAGTQQJ-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475036774 1024180848 /nfs/dbraw/zinc/18/08/48/1024180848.db2.gz ZUPIKZHDAGTQQJ-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036774 1024180856 /nfs/dbraw/zinc/18/08/56/1024180856.db2.gz ZUPIKZHDAGTQQJ-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036774 1024180862 /nfs/dbraw/zinc/18/08/62/1024180862.db2.gz ZUPIKZHDAGTQQJ-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC([NH2+]CC(C)(C)C[NH+](C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023773 1024290002 /nfs/dbraw/zinc/29/00/02/1024290002.db2.gz XVTUSDXJSRPXOP-QZTJIDSGSA-N 3 1 331.548 3.605 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000346180921 1024496848 /nfs/dbraw/zinc/49/68/48/1024496848.db2.gz QXBRFCFJVFUTCD-OAQYLSRUSA-N 2 1 332.451 3.783 20 0 EHADMP CCOC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168028838 1024518909 /nfs/dbraw/zinc/51/89/09/1024518909.db2.gz QNMVWPDBVMBWLU-IZZQQSIFSA-N 2 1 346.515 3.607 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000346284010 1024601492 /nfs/dbraw/zinc/60/14/92/1024601492.db2.gz YACJPNKSRAUOAF-UHFFFAOYSA-N 2 1 334.261 3.623 20 0 EHADMP Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)cc21 ZINC000657292940 1024647776 /nfs/dbraw/zinc/64/77/76/1024647776.db2.gz GIIGMVKLRKEVOO-UHFFFAOYSA-N 2 1 349.478 3.598 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC[C@@H]2CCCO2)CC3)cc1 ZINC000346442618 1024737408 /nfs/dbraw/zinc/73/74/08/1024737408.db2.gz GBCCATBTYSHQFZ-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427695808 1024738809 /nfs/dbraw/zinc/73/88/09/1024738809.db2.gz NRDGQIVGBDDJOV-CPUCHLNUSA-N 2 1 341.421 3.940 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@@H+]1C ZINC000157181407 1024786959 /nfs/dbraw/zinc/78/69/59/1024786959.db2.gz SIMUFWMKXMGITR-IEBWSBKVSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[N@H+]1C ZINC000157181407 1024786973 /nfs/dbraw/zinc/78/69/73/1024786973.db2.gz SIMUFWMKXMGITR-IEBWSBKVSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181407 1024786981 /nfs/dbraw/zinc/78/69/81/1024786981.db2.gz SIMUFWMKXMGITR-IEBWSBKVSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC[NH+]1C ZINC000157181407 1024786983 /nfs/dbraw/zinc/78/69/83/1024786983.db2.gz SIMUFWMKXMGITR-IEBWSBKVSA-N 2 1 348.494 3.916 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376388 1024841847 /nfs/dbraw/zinc/84/18/47/1024841847.db2.gz ZKUDEPBLOUBWHZ-CHWSQXEVSA-N 2 1 327.453 3.725 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376388 1024841861 /nfs/dbraw/zinc/84/18/61/1024841861.db2.gz ZKUDEPBLOUBWHZ-CHWSQXEVSA-N 2 1 327.453 3.725 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(F)c1F ZINC000647344709 1033240914 /nfs/dbraw/zinc/24/09/14/1033240914.db2.gz XQXIJVJHAVIDMJ-KYJSFNMBSA-N 2 1 330.422 3.961 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(F)c1F ZINC000647344709 1033240927 /nfs/dbraw/zinc/24/09/27/1033240927.db2.gz XQXIJVJHAVIDMJ-KYJSFNMBSA-N 2 1 330.422 3.961 20 0 EHADMP C[N@H+](Cc1ccc(-c2nc3ccccc3s2)o1)C1CC[NH2+]CC1 ZINC000435382524 1024866031 /nfs/dbraw/zinc/86/60/31/1024866031.db2.gz DOAOPRZGHFGSSX-UHFFFAOYSA-N 2 1 327.453 3.740 20 0 EHADMP C[N@@H+](Cc1ccc(-c2nc3ccccc3s2)o1)C1CC[NH2+]CC1 ZINC000435382524 1024866040 /nfs/dbraw/zinc/86/60/40/1024866040.db2.gz DOAOPRZGHFGSSX-UHFFFAOYSA-N 2 1 327.453 3.740 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393817 1024879407 /nfs/dbraw/zinc/87/94/07/1024879407.db2.gz KYFOMTTWVGKWOK-CQSZACIVSA-N 2 1 348.384 3.731 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657307652 1024898579 /nfs/dbraw/zinc/89/85/79/1024898579.db2.gz SJFJPCMQMQKMHZ-INIZCTEOSA-N 2 1 327.497 3.692 20 0 EHADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435428073 1024916024 /nfs/dbraw/zinc/91/60/24/1024916024.db2.gz PYBQUHRIQMHIPI-QXAKKESOSA-N 2 1 348.556 3.897 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000105442655 1024941691 /nfs/dbraw/zinc/94/16/91/1024941691.db2.gz LXFQKSMLVKTXET-GFCCVEGCSA-N 2 1 332.498 3.802 20 0 EHADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000665252477 1024948981 /nfs/dbraw/zinc/94/89/81/1024948981.db2.gz QNQKIMULYYVRFY-BDKRGJGYSA-N 2 1 335.495 3.843 20 0 EHADMP C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000895932008 1024985864 /nfs/dbraw/zinc/98/58/64/1024985864.db2.gz INPFZMKELILFSW-GDBMZVCRSA-N 2 1 329.326 3.500 20 0 EHADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011593 1024997323 /nfs/dbraw/zinc/99/73/23/1024997323.db2.gz PUYLFZVWKBWEFF-HATOLVCRSA-N 2 1 343.559 3.890 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000474471848 1025020263 /nfs/dbraw/zinc/02/02/63/1025020263.db2.gz HFDLYXGOZBSMHY-PGYGNJIDSA-N 2 1 338.536 3.743 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000474472876 1025021394 /nfs/dbraw/zinc/02/13/94/1025021394.db2.gz PBHWMQKVQNDAQN-KRWDZBQOSA-N 2 1 346.515 3.597 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000474476818 1025027520 /nfs/dbraw/zinc/02/75/20/1025027520.db2.gz QJJWNVQCWGKLHA-IBGZPJMESA-N 2 1 340.515 3.925 20 0 EHADMP CC[NH2+]Cc1ccccc1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414872492 1025067792 /nfs/dbraw/zinc/06/77/92/1025067792.db2.gz VRRJMJJFKXOYET-UHFFFAOYSA-N 2 1 344.528 3.631 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC[NH2+]1 ZINC000582050221 1025089663 /nfs/dbraw/zinc/08/96/63/1025089663.db2.gz YTNWVLDYALBPIR-OAGGEKHMSA-N 2 1 329.513 3.864 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000443987333 1025160558 /nfs/dbraw/zinc/16/05/58/1025160558.db2.gz MMFHBPDVZMHYKB-UHFFFAOYSA-N 2 1 344.886 3.770 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037369 1025174561 /nfs/dbraw/zinc/17/45/61/1025174561.db2.gz XUUQCDLMHIQPSK-MUWAIZJESA-N 3 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168037369 1025174568 /nfs/dbraw/zinc/17/45/68/1025174568.db2.gz XUUQCDLMHIQPSK-MUWAIZJESA-N 2 1 343.559 3.890 20 0 EHADMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190964418 1025195619 /nfs/dbraw/zinc/19/56/19/1025195619.db2.gz DOMDBDIVRRKTHZ-MSOLQXFVSA-N 2 1 331.504 3.964 20 0 EHADMP CC(C)Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC001168284898 1033270532 /nfs/dbraw/zinc/27/05/32/1033270532.db2.gz PHKYOJYHNOKJJN-PCCBWWKXSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014100 1025362359 /nfs/dbraw/zinc/36/23/59/1025362359.db2.gz JVBIDXXIPLWFKP-UJZAFDIWSA-N 2 1 330.516 3.569 20 0 EHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000474727072 1025376503 /nfs/dbraw/zinc/37/65/03/1025376503.db2.gz QXIZLQGECXPLFU-HOTGVXAUSA-N 2 1 334.504 3.660 20 0 EHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000474727072 1025376516 /nfs/dbraw/zinc/37/65/16/1025376516.db2.gz QXIZLQGECXPLFU-HOTGVXAUSA-N 2 1 334.504 3.660 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000521431677 1025386175 /nfs/dbraw/zinc/38/61/75/1025386175.db2.gz HXTKHIVVHAMGFR-AWEZNQCLSA-N 2 1 348.516 3.913 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754591 1025466850 /nfs/dbraw/zinc/46/68/50/1025466850.db2.gz BFMZQKLGGBMOLQ-HIFRSBDPSA-N 2 1 332.394 3.926 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754591 1025466858 /nfs/dbraw/zinc/46/68/58/1025466858.db2.gz BFMZQKLGGBMOLQ-HIFRSBDPSA-N 2 1 332.394 3.926 20 0 EHADMP COc1ccncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000347064799 1025477833 /nfs/dbraw/zinc/47/78/33/1025477833.db2.gz XPZRKCBBHJBGDW-KRWDZBQOSA-N 2 1 331.504 3.567 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442861133 1025531890 /nfs/dbraw/zinc/53/18/90/1025531890.db2.gz MJPSYWOHEDOFGH-MOPGFXCFSA-N 2 1 345.490 3.747 20 0 EHADMP Clc1ccc(Cl)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243684 1025531977 /nfs/dbraw/zinc/53/19/77/1025531977.db2.gz XIIFBYROVZMARD-INIZCTEOSA-N 2 1 343.298 3.584 20 0 EHADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665299038 1025537753 /nfs/dbraw/zinc/53/77/53/1025537753.db2.gz FGUAASPWUFCWHL-NUEKZKHPSA-N 2 1 327.394 3.501 20 0 EHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442875602 1025548345 /nfs/dbraw/zinc/54/83/45/1025548345.db2.gz PFZIRUXCSXQUCH-GOSISDBHSA-N 2 1 331.548 3.562 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1(C)C ZINC000442879409 1025559353 /nfs/dbraw/zinc/55/93/53/1025559353.db2.gz VSLUTQHOHBBBDX-FQEVSTJZSA-N 2 1 329.532 3.534 20 0 EHADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@H](C)C[NH2+]C)nc1 ZINC000665298612 1025561116 /nfs/dbraw/zinc/56/11/16/1025561116.db2.gz ZCJCATFUIVETHU-FOIQADDNSA-N 2 1 345.918 3.649 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425517077 1025605826 /nfs/dbraw/zinc/60/58/26/1025605826.db2.gz SZVVGBUIFOAZPN-UHFFFAOYSA-N 2 1 344.528 3.797 20 0 EHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Oc1cccnc1 ZINC000262075440 1025656885 /nfs/dbraw/zinc/65/68/85/1025656885.db2.gz SOFNLUMHXPOBNE-UHFFFAOYSA-N 2 1 337.467 3.758 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000657374116 1025668371 /nfs/dbraw/zinc/66/83/71/1025668371.db2.gz FAUZPDRSQGAULA-RTBURBONSA-N 2 1 328.456 3.569 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443078643 1025705188 /nfs/dbraw/zinc/70/51/88/1025705188.db2.gz XFKUPJYTLUFQAV-IRXDYDNUSA-N 2 1 331.504 3.506 20 0 EHADMP C[C@@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000657385113 1025746600 /nfs/dbraw/zinc/74/66/00/1025746600.db2.gz YAGGPBNHYXRNPA-KRWDZBQOSA-N 2 1 340.515 3.688 20 0 EHADMP C[C@@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000657385113 1025746618 /nfs/dbraw/zinc/74/66/18/1025746618.db2.gz YAGGPBNHYXRNPA-KRWDZBQOSA-N 2 1 340.515 3.688 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000121793717 1025776815 /nfs/dbraw/zinc/77/68/15/1025776815.db2.gz IYQNKRCNTSLUBH-UHFFFAOYSA-N 2 1 339.483 3.664 20 0 EHADMP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000530411874 1025784784 /nfs/dbraw/zinc/78/47/84/1025784784.db2.gz YYIKINDOQVGNOK-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530411874 1025784801 /nfs/dbraw/zinc/78/48/01/1025784801.db2.gz YYIKINDOQVGNOK-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530411874 1025784817 /nfs/dbraw/zinc/78/48/17/1025784817.db2.gz YYIKINDOQVGNOK-LEWJYISDSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000281982719 1025848827 /nfs/dbraw/zinc/84/88/27/1025848827.db2.gz CBBFTLZNVFQTFF-HXUWFJFHSA-N 2 1 330.516 3.966 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000522036240 1025902509 /nfs/dbraw/zinc/90/25/09/1025902509.db2.gz PBRQGPHWQCEUOJ-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000522036240 1025902524 /nfs/dbraw/zinc/90/25/24/1025902524.db2.gz PBRQGPHWQCEUOJ-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000522036240 1025902541 /nfs/dbraw/zinc/90/25/41/1025902541.db2.gz PBRQGPHWQCEUOJ-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000522036240 1025902550 /nfs/dbraw/zinc/90/25/50/1025902550.db2.gz PBRQGPHWQCEUOJ-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000152487846 1026215315 /nfs/dbraw/zinc/21/53/15/1026215315.db2.gz HLFCARWILGOSNV-DYVFJYSZSA-N 2 1 337.305 3.974 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000152487846 1026215324 /nfs/dbraw/zinc/21/53/24/1026215324.db2.gz HLFCARWILGOSNV-DYVFJYSZSA-N 2 1 337.305 3.974 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000342548756 1026249314 /nfs/dbraw/zinc/24/93/14/1026249314.db2.gz LJQSNMNVIDCYDP-UHFFFAOYSA-N 2 1 334.261 3.619 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000342548756 1026249323 /nfs/dbraw/zinc/24/93/23/1026249323.db2.gz LJQSNMNVIDCYDP-UHFFFAOYSA-N 2 1 334.261 3.619 20 0 EHADMP Cc1cc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC000339023995 1026346245 /nfs/dbraw/zinc/34/62/45/1026346245.db2.gz PFGBYAAGJBWTCC-HOTGVXAUSA-N 2 1 338.499 3.605 20 0 EHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3CCCCC3)CC2)CC1 ZINC000530952842 1026441580 /nfs/dbraw/zinc/44/15/80/1026441580.db2.gz BYKQAPSIHYHBBT-UHFFFAOYSA-N 2 1 335.580 3.695 20 0 EHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCCCC1 ZINC000530952842 1026441587 /nfs/dbraw/zinc/44/15/87/1026441587.db2.gz BYKQAPSIHYHBBT-UHFFFAOYSA-N 3 1 335.580 3.695 20 0 EHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCCCC1 ZINC000530952842 1026441593 /nfs/dbraw/zinc/44/15/93/1026441593.db2.gz BYKQAPSIHYHBBT-UHFFFAOYSA-N 3 1 335.580 3.695 20 0 EHADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918408 1026639614 /nfs/dbraw/zinc/63/96/14/1026639614.db2.gz PWVCVCZDFSJBPA-QUCCMNQESA-N 2 1 338.495 3.738 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000342693706 1026735642 /nfs/dbraw/zinc/73/56/42/1026735642.db2.gz BMXQKZNFVKKHNW-AWEZNQCLSA-N 2 1 327.900 3.903 20 0 EHADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000684956138 1026848585 /nfs/dbraw/zinc/84/85/85/1026848585.db2.gz ZPPVBQFXYWVBGK-CTNGQTDRSA-N 2 1 335.495 3.613 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000684956138 1026848595 /nfs/dbraw/zinc/84/85/95/1026848595.db2.gz ZPPVBQFXYWVBGK-CTNGQTDRSA-N 2 1 335.495 3.613 20 0 EHADMP C[C@@H]1C[N@H+](CCCCNc2cc[nH+]c3cc(F)ccc23)C[C@H](C)O1 ZINC000301707300 1026909958 /nfs/dbraw/zinc/90/99/58/1026909958.db2.gz GTZMOQGKKSCTLV-GASCZTMLSA-N 2 1 331.435 3.675 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193066983 1026949139 /nfs/dbraw/zinc/94/91/39/1026949139.db2.gz CYOKFQZRFXJGAT-AZUAARDMSA-N 2 1 338.536 3.506 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139039 1026951255 /nfs/dbraw/zinc/95/12/55/1026951255.db2.gz CJYLRHOBOUTJKO-BEFAXECRSA-N 2 1 336.907 3.804 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168139039 1026951260 /nfs/dbraw/zinc/95/12/60/1026951260.db2.gz CJYLRHOBOUTJKO-BEFAXECRSA-N 2 1 336.907 3.804 20 0 EHADMP CCc1c(C)[nH+]c2ccccc2c1NC1CC[NH+](CCN(C)C)CC1 ZINC000302013659 1027023778 /nfs/dbraw/zinc/02/37/78/1027023778.db2.gz BHBXPNRFYKZKHQ-UHFFFAOYSA-N 2 1 340.515 3.544 20 0 EHADMP CC(C)(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccccc2o1 ZINC000305861491 1027033662 /nfs/dbraw/zinc/03/36/62/1027033662.db2.gz YDDUDVJFNIGAMK-FQEVSTJZSA-N 2 1 344.499 3.956 20 0 EHADMP CN(c1ccccc1CNc1ccc2[nH]c[nH+]c2c1)C1CC[NH+](C)CC1 ZINC000419727227 1027142110 /nfs/dbraw/zinc/14/21/10/1027142110.db2.gz KVTJFPLOXQKKKR-UHFFFAOYSA-N 2 1 349.482 3.705 20 0 EHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1C(F)(F)F ZINC000414431292 1027218086 /nfs/dbraw/zinc/21/80/86/1027218086.db2.gz HHRRQDOAFDMFFK-OAHLLOKOSA-N 2 1 344.421 3.604 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453054914 1027298951 /nfs/dbraw/zinc/29/89/51/1027298951.db2.gz BXVZHWQOEWJVPG-NJYVYQBISA-N 2 1 330.516 3.836 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000453062389 1027314773 /nfs/dbraw/zinc/31/47/73/1027314773.db2.gz MKIDIBQYSBLGSG-LCLWPZTBSA-N 2 1 348.918 3.647 20 0 EHADMP C[NH+]1CCC(CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000302836976 1027317115 /nfs/dbraw/zinc/31/71/15/1027317115.db2.gz XANPOTYLRKOAJT-UHFFFAOYSA-N 2 1 334.261 3.751 20 0 EHADMP Clc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000453064330 1027317498 /nfs/dbraw/zinc/31/74/98/1027317498.db2.gz GQXTXURCSZSNIT-UXHICEINSA-N 2 1 348.918 3.647 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000453101955 1027364239 /nfs/dbraw/zinc/36/42/39/1027364239.db2.gz ZTWKDNQOGYRYSV-RYGJVYDSSA-N 2 1 348.918 3.504 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453104234 1027367651 /nfs/dbraw/zinc/36/76/51/1027367651.db2.gz FFOUEUCMNNOTSP-CVEARBPZSA-N 2 1 337.471 3.579 20 0 EHADMP CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000453130745 1027432463 /nfs/dbraw/zinc/43/24/63/1027432463.db2.gz SOHBMDPALVAYDB-SLFFLAALSA-N 2 1 344.524 3.672 20 0 EHADMP CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000453130745 1027432467 /nfs/dbraw/zinc/43/24/67/1027432467.db2.gz SOHBMDPALVAYDB-SLFFLAALSA-N 2 1 344.524 3.672 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)[C@@H](C)C1 ZINC000453132614 1027437503 /nfs/dbraw/zinc/43/75/03/1027437503.db2.gz WLSGDYVJVJNKIS-PGRDOPGGSA-N 2 1 344.543 3.661 20 0 EHADMP Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313726 1027461461 /nfs/dbraw/zinc/46/14/61/1027461461.db2.gz JIJSMHGAXRQLEB-KXBFYZLASA-N 2 1 342.462 3.742 20 0 EHADMP [NH3+]C[C@H]([NH2+]CCOc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420352700 1027485276 /nfs/dbraw/zinc/48/52/76/1027485276.db2.gz ATKSSWDGFGPNOK-HNNXBMFYSA-N 2 1 331.287 3.869 20 0 EHADMP CC(C)c1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000303201614 1027495278 /nfs/dbraw/zinc/49/52/78/1027495278.db2.gz OKNBWIONRYWUMP-UHFFFAOYSA-N 2 1 343.515 3.556 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000501773268 1027521084 /nfs/dbraw/zinc/52/10/84/1027521084.db2.gz IBUBMBQACHTBQL-QGZVFWFLSA-N 2 1 336.495 3.957 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414654824 1027713588 /nfs/dbraw/zinc/71/35/88/1027713588.db2.gz CPIAPRKVCZGRNL-SJORKVTESA-N 2 1 340.515 3.647 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)cc1 ZINC000422564979 1027790854 /nfs/dbraw/zinc/79/08/54/1027790854.db2.gz XGKXMRCRZOPPJA-LZWOXQAQSA-N 2 1 345.512 3.624 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)cc1 ZINC000422564979 1027790871 /nfs/dbraw/zinc/79/08/71/1027790871.db2.gz XGKXMRCRZOPPJA-LZWOXQAQSA-N 2 1 345.512 3.624 20 0 EHADMP Cc1ccc(COc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)cc1 ZINC000422565115 1027791106 /nfs/dbraw/zinc/79/11/06/1027791106.db2.gz XMUSYDMUYYYLBQ-UHFFFAOYSA-N 2 1 336.479 3.902 20 0 EHADMP c1ccc(C(OCC[NH+]2CCC3(CC[NH2+]3)CC2)c2ccccc2)cc1 ZINC000422636704 1027833785 /nfs/dbraw/zinc/83/37/85/1027833785.db2.gz NPLQGXHIXBQTSV-UHFFFAOYSA-N 2 1 336.479 3.621 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000414683261 1027857862 /nfs/dbraw/zinc/85/78/62/1027857862.db2.gz ZTSXSCDTDLLQHL-KEYYUXOJSA-N 2 1 337.305 3.974 20 0 EHADMP CC(C)OC1CC([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355128 1027883606 /nfs/dbraw/zinc/88/36/06/1027883606.db2.gz AYILBRVONLZGAB-XBCQCDMNSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000459355128 1027883631 /nfs/dbraw/zinc/88/36/31/1027883631.db2.gz AYILBRVONLZGAB-XBCQCDMNSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000459355128 1027883652 /nfs/dbraw/zinc/88/36/52/1027883652.db2.gz AYILBRVONLZGAB-XBCQCDMNSA-N 2 1 342.527 3.929 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000459355128 1027883674 /nfs/dbraw/zinc/88/36/74/1027883674.db2.gz AYILBRVONLZGAB-XBCQCDMNSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@@H]([NH2+]CC1(c2ccccc2Br)CC1)c1c[nH+]ccc1N ZINC000422781080 1027935063 /nfs/dbraw/zinc/93/50/63/1027935063.db2.gz KHLDWXJIJMHZIG-GFCCVEGCSA-N 2 1 346.272 3.639 20 0 EHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc21 ZINC000422782178 1027936367 /nfs/dbraw/zinc/93/63/67/1027936367.db2.gz FXMLQIJCBVYNCJ-VXKWHMMOSA-N 3 1 335.495 3.907 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000420982885 1027942289 /nfs/dbraw/zinc/94/22/89/1027942289.db2.gz PRLDMQMILANQQO-VQTJNVASSA-N 2 1 335.580 3.695 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)c2ccccc21 ZINC000422794175 1027965207 /nfs/dbraw/zinc/96/52/07/1027965207.db2.gz YRYITMFIRTYYHG-HUUCEWRRSA-N 2 1 337.254 3.535 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)s2)cs1 ZINC000422792317 1027966093 /nfs/dbraw/zinc/96/60/93/1027966093.db2.gz DIPHFAPLXIXXJB-NSHDSACASA-N 2 1 344.509 3.881 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422863665 1028000145 /nfs/dbraw/zinc/00/01/45/1028000145.db2.gz PINKNYJAPFFWBJ-XPQZIERPSA-N 3 1 329.532 3.668 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459368657 1028017405 /nfs/dbraw/zinc/01/74/05/1028017405.db2.gz PTTQCYSDCMZVKF-INIZCTEOSA-N 2 1 338.927 3.513 20 0 EHADMP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(O[C@H]2CCOC2)c1 ZINC000422870457 1028028930 /nfs/dbraw/zinc/02/89/30/1028028930.db2.gz BSUSWHBNEJOIMC-RLLQIKCJSA-N 2 1 346.515 3.563 20 0 EHADMP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000422898428 1028034636 /nfs/dbraw/zinc/03/46/36/1028034636.db2.gz FEXQHIUERKFZPV-YIONKMFJSA-N 2 1 342.405 3.865 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000422897781 1028034749 /nfs/dbraw/zinc/03/47/49/1028034749.db2.gz CUFHYKOLSNZFQO-RTBURBONSA-N 2 1 336.414 3.554 20 0 EHADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000502286323 1028064194 /nfs/dbraw/zinc/06/41/94/1028064194.db2.gz LFZHLMJNRRIKGZ-UXHICEINSA-N 2 1 334.548 3.970 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc2ccccc21 ZINC000422935199 1028064027 /nfs/dbraw/zinc/06/40/27/1028064027.db2.gz DIVBKZCOGITARZ-LAUBAEHRSA-N 2 1 334.463 3.767 20 0 EHADMP FC(F)Oc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422938964 1028066997 /nfs/dbraw/zinc/06/69/97/1028066997.db2.gz FGYQVEOZTLAODE-WMZOPIPTSA-N 2 1 332.394 3.871 20 0 EHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422971974 1028102261 /nfs/dbraw/zinc/10/22/61/1028102261.db2.gz ZGRFJIVTWGAFQE-ZXDFIECXSA-N 2 1 343.559 3.578 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006343 1028119032 /nfs/dbraw/zinc/11/90/32/1028119032.db2.gz VGEJGGPUFSKUOD-HZEGPAAWSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCCC[C@@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006343 1028119043 /nfs/dbraw/zinc/11/90/43/1028119043.db2.gz VGEJGGPUFSKUOD-HZEGPAAWSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCCC[C@@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006343 1028119049 /nfs/dbraw/zinc/11/90/49/1028119049.db2.gz VGEJGGPUFSKUOD-HZEGPAAWSA-N 2 1 329.532 3.537 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423084950 1028171034 /nfs/dbraw/zinc/17/10/34/1028171034.db2.gz JEGDQCWWRHYWQK-RKDVLTNBSA-N 2 1 346.515 3.673 20 0 EHADMP C[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414717989 1028192124 /nfs/dbraw/zinc/19/21/24/1028192124.db2.gz QMJHBNSSSLDKEA-SIKLNZKXSA-N 2 1 337.511 3.905 20 0 EHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423112448 1028203838 /nfs/dbraw/zinc/20/38/38/1028203838.db2.gz XSCCLMIGMDEGCL-KAYQNVEMSA-N 3 1 349.950 3.969 20 0 EHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146220 1028207602 /nfs/dbraw/zinc/20/76/02/1028207602.db2.gz OQAPGOWKSOKFSD-WTGUMLROSA-N 2 1 347.572 3.522 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000423185717 1028232513 /nfs/dbraw/zinc/23/25/13/1028232513.db2.gz VXFXLSRZGHFRIT-NJYVYQBISA-N 2 1 341.543 3.681 20 0 EHADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423171485 1028239418 /nfs/dbraw/zinc/23/94/18/1028239418.db2.gz OQJNMJURHALIKN-GWCFXTLKSA-N 2 1 331.685 3.580 20 0 EHADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000423182128 1028250409 /nfs/dbraw/zinc/25/04/09/1028250409.db2.gz PWDZGMVWKXLQDS-NJDAHSKKSA-N 2 1 341.543 3.538 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000423181448 1028251127 /nfs/dbraw/zinc/25/11/27/1028251127.db2.gz CVUCALWMAVETSZ-AWEZNQCLSA-N 2 1 337.389 3.931 20 0 EHADMP FC(F)Oc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423209260 1028253359 /nfs/dbraw/zinc/25/33/59/1028253359.db2.gz IRURUFLNIOYUCC-DNVCBOLYSA-N 2 1 346.421 3.967 20 0 EHADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423265512 1028302248 /nfs/dbraw/zinc/30/22/48/1028302248.db2.gz BCAZRCZUVDRWGA-DOTOQJQBSA-N 2 1 327.497 3.823 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423258317 1028317201 /nfs/dbraw/zinc/31/72/01/1028317201.db2.gz BHMWUBDYKUCANC-HNAYVOBHSA-N 2 1 346.519 3.775 20 0 EHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423258816 1028319708 /nfs/dbraw/zinc/31/97/08/1028319708.db2.gz CNCHNVQBSKGDHT-LIRRHRJNSA-N 2 1 344.503 3.529 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423261331 1028320258 /nfs/dbraw/zinc/32/02/58/1028320258.db2.gz JRWFXYMJCQDOPI-RKVPGOIHSA-N 2 1 334.504 3.693 20 0 EHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423258815 1028320585 /nfs/dbraw/zinc/32/05/85/1028320585.db2.gz CNCHNVQBSKGDHT-KUHUBIRLSA-N 2 1 344.503 3.529 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000423283445 1028321685 /nfs/dbraw/zinc/32/16/85/1028321685.db2.gz WEGXHMVYMRZPNT-HZPDHXFCSA-N 2 1 348.288 3.635 20 0 EHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000523442156 1028336735 /nfs/dbraw/zinc/33/67/35/1028336735.db2.gz NQLOHZXKDFKQMA-QGZVFWFLSA-N 2 1 346.515 3.561 20 0 EHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000523442156 1028336752 /nfs/dbraw/zinc/33/67/52/1028336752.db2.gz NQLOHZXKDFKQMA-QGZVFWFLSA-N 2 1 346.515 3.561 20 0 EHADMP CSC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423356355 1028384991 /nfs/dbraw/zinc/38/49/91/1028384991.db2.gz GPHVTRVMGWSMSZ-HUUCEWRRSA-N 2 1 332.435 3.841 20 0 EHADMP CN(C)Cc1cnc(C[N@H+]2CC[C@H](c3ccccc3)C2(C)C)s1 ZINC000421404920 1028390843 /nfs/dbraw/zinc/39/08/43/1028390843.db2.gz ZPVHFYIWEZYVHN-QGZVFWFLSA-N 2 1 329.513 3.973 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423406874 1028422966 /nfs/dbraw/zinc/42/29/66/1028422966.db2.gz VFOLURCHUOQRNL-LERXQTSPSA-N 2 1 329.271 3.795 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423408101 1028425382 /nfs/dbraw/zinc/42/53/82/1028425382.db2.gz WXLHBVGZRZWHHD-MDASCCDHSA-N 2 1 346.421 3.965 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SC2CCCC2)cc1 ZINC000423524138 1028498158 /nfs/dbraw/zinc/49/81/58/1028498158.db2.gz SLOLNQIJUHAVER-NVXWUHKLSA-N 2 1 334.529 3.750 20 0 EHADMP CN(C)[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000237131888 1028642420 /nfs/dbraw/zinc/64/24/20/1028642420.db2.gz XSMQGHJJKPNKEC-IBGZPJMESA-N 2 1 343.515 3.630 20 0 EHADMP CN(C)[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000237131888 1028642430 /nfs/dbraw/zinc/64/24/30/1028642430.db2.gz XSMQGHJJKPNKEC-IBGZPJMESA-N 2 1 343.515 3.630 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)CCO1 ZINC000247087212 1028740615 /nfs/dbraw/zinc/74/06/15/1028740615.db2.gz PDNNLUWVRVRVJB-JTSKRJEESA-N 2 1 336.479 3.684 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)CCO1 ZINC000247087212 1028740628 /nfs/dbraw/zinc/74/06/28/1028740628.db2.gz PDNNLUWVRVRVJB-JTSKRJEESA-N 2 1 336.479 3.684 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000247234694 1028763292 /nfs/dbraw/zinc/76/32/92/1028763292.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000247234694 1028763298 /nfs/dbraw/zinc/76/32/98/1028763298.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000247234694 1028763303 /nfs/dbraw/zinc/76/33/03/1028763303.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000247234694 1028763307 /nfs/dbraw/zinc/76/33/07/1028763307.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000247234694 1028763309 /nfs/dbraw/zinc/76/33/09/1028763309.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000247234694 1028763322 /nfs/dbraw/zinc/76/33/22/1028763322.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000247234694 1028763333 /nfs/dbraw/zinc/76/33/33/1028763333.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000247234694 1028763350 /nfs/dbraw/zinc/76/33/50/1028763350.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000247234694 1028763363 /nfs/dbraw/zinc/76/33/63/1028763363.db2.gz YNYHUOOONMCMCH-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771632 1028764097 /nfs/dbraw/zinc/76/40/97/1028764097.db2.gz ABTLGFYYRYZTRV-IAGOWNOFSA-N 2 1 327.497 3.632 20 0 EHADMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC000414773986 1028796905 /nfs/dbraw/zinc/79/69/05/1028796905.db2.gz FAYFIDQPLHFQKU-KBPBESRZSA-N 2 1 330.369 3.666 20 0 EHADMP COC1([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000421819838 1028805597 /nfs/dbraw/zinc/80/55/97/1028805597.db2.gz JHJGWLVZFBUWDT-GOSISDBHSA-N 2 1 330.516 3.631 20 0 EHADMP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCCC1 ZINC000421824809 1028811092 /nfs/dbraw/zinc/81/10/92/1028811092.db2.gz KKNBWVGSURURCH-AWEZNQCLSA-N 2 1 331.435 3.757 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC000421852476 1028842054 /nfs/dbraw/zinc/84/20/54/1028842054.db2.gz HMABZMYXYNTLKX-UHFFFAOYSA-N 2 1 330.516 3.714 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777357 1028863865 /nfs/dbraw/zinc/86/38/65/1028863865.db2.gz IDCZAKKYXFVEQS-OALUTQOASA-N 2 1 339.458 3.709 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248427617 1028901651 /nfs/dbraw/zinc/90/16/51/1028901651.db2.gz OVSRVQNOBWPRKD-LDLYASANSA-N 2 1 325.456 3.577 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248427617 1028901667 /nfs/dbraw/zinc/90/16/67/1028901667.db2.gz OVSRVQNOBWPRKD-LDLYASANSA-N 2 1 325.456 3.577 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248449280 1028906272 /nfs/dbraw/zinc/90/62/72/1028906272.db2.gz OLPDQBYWUNLKKQ-QAPCUYQASA-N 2 1 330.497 3.556 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C ZINC000248460390 1028914017 /nfs/dbraw/zinc/91/40/17/1028914017.db2.gz WJWVJAYHAFZPOW-WIYYLYMNSA-N 2 1 338.495 3.721 20 0 EHADMP C[N@H+]1CCC[C@@H](CNCc2cc(O)cc(F)c2)[C@H]1c1cccs1 ZINC000248629434 1028927690 /nfs/dbraw/zinc/92/76/90/1028927690.db2.gz GOXIDKOZBUFZLF-KSSFIOAISA-N 2 1 334.460 3.766 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424290464 1028932059 /nfs/dbraw/zinc/93/20/59/1028932059.db2.gz MQOCZGURENGRRT-KRWDZBQOSA-N 2 1 343.515 3.521 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)o1 ZINC000424294406 1028936830 /nfs/dbraw/zinc/93/68/30/1028936830.db2.gz QDULRNXQVOGESC-CYBMUJFWSA-N 2 1 331.485 3.676 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424298064 1028938161 /nfs/dbraw/zinc/93/81/61/1028938161.db2.gz TVRJLILQZJQWKO-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC000424296359 1028939813 /nfs/dbraw/zinc/93/98/13/1028939813.db2.gz FSMMZXFQJODKFA-AYZHRIAMSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245637048 1028954418 /nfs/dbraw/zinc/95/44/18/1028954418.db2.gz AAEBSVMFULMGRK-GEALJGNFSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245637048 1028954428 /nfs/dbraw/zinc/95/44/28/1028954428.db2.gz AAEBSVMFULMGRK-GEALJGNFSA-N 2 1 338.499 3.575 20 0 EHADMP Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780269 1028957776 /nfs/dbraw/zinc/95/77/76/1028957776.db2.gz LFJMXVACGWTAPZ-QWHCGFSZSA-N 2 1 330.369 3.666 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000514694270 1028964414 /nfs/dbraw/zinc/96/44/14/1028964414.db2.gz GIWVGQDJHQHZFH-UHFFFAOYSA-N 2 1 333.451 3.878 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](Cc1ccncc1)c1cccs1)C1CC1 ZINC000424334754 1028981115 /nfs/dbraw/zinc/98/11/15/1028981115.db2.gz OFKYEWSSFNYYQT-GOSISDBHSA-N 2 1 329.513 3.891 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000245660141 1028983352 /nfs/dbraw/zinc/98/33/52/1028983352.db2.gz FJTWNIKHKOQWCL-WHZJULEDSA-N 2 1 328.500 3.729 20 0 EHADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1OCC ZINC000414785542 1029031687 /nfs/dbraw/zinc/03/16/87/1029031687.db2.gz STERKIHXKHLURC-ROUUACIJSA-N 2 1 346.515 3.696 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000245698725 1029032441 /nfs/dbraw/zinc/03/24/41/1029032441.db2.gz CSMYPBBLQQORAX-BBRMVZONSA-N 2 1 340.895 3.519 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000245698725 1029032459 /nfs/dbraw/zinc/03/24/59/1029032459.db2.gz CSMYPBBLQQORAX-BBRMVZONSA-N 2 1 340.895 3.519 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000245698725 1029032508 /nfs/dbraw/zinc/03/25/08/1029032508.db2.gz CSMYPBBLQQORAX-BBRMVZONSA-N 2 1 340.895 3.519 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)s2)o1 ZINC000414787690 1029064022 /nfs/dbraw/zinc/06/40/22/1029064022.db2.gz VVYOTWTVPNDGPY-HUUCEWRRSA-N 2 1 331.485 3.533 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000271712484 1029132916 /nfs/dbraw/zinc/13/29/16/1029132916.db2.gz MUEZDSIJBURUSQ-LPHOPBHVSA-N 2 1 328.456 3.569 20 0 EHADMP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cs2)cc1 ZINC000414800010 1029178360 /nfs/dbraw/zinc/17/83/60/1029178360.db2.gz KLUUXZWEJZSKHM-CRAIPNDOSA-N 2 1 345.512 3.638 20 0 EHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(SCC(F)F)cc1 ZINC000271848700 1029197941 /nfs/dbraw/zinc/19/79/41/1029197941.db2.gz IIPHCUPDTZVMJQ-CYBMUJFWSA-N 2 1 326.456 3.956 20 0 EHADMP COCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000245772485 1029274195 /nfs/dbraw/zinc/27/41/95/1029274195.db2.gz XMCUEFDSPQPVQV-WKCHPHFGSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245833202 1029350402 /nfs/dbraw/zinc/35/04/02/1029350402.db2.gz CBRDHKGZPTYYLM-NJDAHSKKSA-N 2 1 342.527 3.753 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]2CCCO[C@H]21 ZINC000245836521 1029359360 /nfs/dbraw/zinc/35/93/60/1029359360.db2.gz CRMCPSVFMRHIRN-JCHJZTRSSA-N 2 1 348.556 3.753 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]2CCCO[C@H]21 ZINC000245836521 1029359368 /nfs/dbraw/zinc/35/93/68/1029359368.db2.gz CRMCPSVFMRHIRN-JCHJZTRSSA-N 2 1 348.556 3.753 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000052209854 1029376308 /nfs/dbraw/zinc/37/63/08/1029376308.db2.gz MYBDRZLWKCDXKO-LJQANCHMSA-N 2 1 338.923 3.817 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552012 1029450102 /nfs/dbraw/zinc/45/01/02/1029450102.db2.gz LDKAKTWCIGUDKV-DXBBTUNJSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261552012 1029450108 /nfs/dbraw/zinc/45/01/08/1029450108.db2.gz LDKAKTWCIGUDKV-DXBBTUNJSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CCO1 ZINC001168087199 1029462622 /nfs/dbraw/zinc/46/26/22/1029462622.db2.gz KECZDZJMTRYDMR-TVLUASMKSA-N 2 1 328.500 3.682 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000272494649 1029482468 /nfs/dbraw/zinc/48/24/68/1029482468.db2.gz KRCXGXHUZKAERI-KRWDZBQOSA-N 2 1 336.479 3.583 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261982264 1029546490 /nfs/dbraw/zinc/54/64/90/1029546490.db2.gz RLBJAMNDBIUBSV-QRVBRYPASA-N 2 1 344.547 3.673 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414844192 1029562741 /nfs/dbraw/zinc/56/27/41/1029562741.db2.gz CNIPNDBHPHQRPJ-WDEREUQCSA-N 2 1 331.685 3.580 20 0 EHADMP C[C@H]1C[NH+](CCCCCC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000729815049 1029568086 /nfs/dbraw/zinc/56/80/86/1029568086.db2.gz MMUKRCCQFQSXHO-ROUUACIJSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@]1(CO)CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000428445639 1029666369 /nfs/dbraw/zinc/66/63/69/1029666369.db2.gz HDDGPRBTLHPHJZ-OAQYLSRUSA-N 2 1 332.532 3.629 20 0 EHADMP CC[C@@]1(CO)CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000428445639 1029666376 /nfs/dbraw/zinc/66/63/76/1029666376.db2.gz HDDGPRBTLHPHJZ-OAQYLSRUSA-N 2 1 332.532 3.629 20 0 EHADMP CC[C@@]1(CO)CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000428445639 1029666379 /nfs/dbraw/zinc/66/63/79/1029666379.db2.gz HDDGPRBTLHPHJZ-OAQYLSRUSA-N 2 1 332.532 3.629 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693161 1029738067 /nfs/dbraw/zinc/73/80/67/1029738067.db2.gz CIGXWQQSWXOBPN-HOJAQTOUSA-N 2 1 332.532 3.530 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693162 1029738908 /nfs/dbraw/zinc/73/89/08/1029738908.db2.gz CIGXWQQSWXOBPN-IHPCNDPISA-N 2 1 332.532 3.530 20 0 EHADMP CCC(CC)[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508711872 1029787667 /nfs/dbraw/zinc/78/76/67/1029787667.db2.gz BNLIYNKOKFCHFW-NYVOZVTQSA-N 2 1 345.575 3.853 20 0 EHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000446839050 1029806889 /nfs/dbraw/zinc/80/68/89/1029806889.db2.gz OSLLFDSEJIJHGF-LEWJYISDSA-N 2 1 332.532 3.938 20 0 EHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000536020083 1029822275 /nfs/dbraw/zinc/82/22/75/1029822275.db2.gz IOYFBYAENBQOTJ-UHFFFAOYSA-N 2 1 339.483 3.958 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721454 1029831762 /nfs/dbraw/zinc/83/17/62/1029831762.db2.gz UUEBQVWWPOMORJ-PDGJWGCVSA-N 2 1 344.543 3.938 20 0 EHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)cc1 ZINC000278261936 1029856956 /nfs/dbraw/zinc/85/69/56/1029856956.db2.gz NUWMYHXTKHQNJU-OAHLLOKOSA-N 2 1 344.455 3.759 20 0 EHADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453217466 1029925900 /nfs/dbraw/zinc/92/59/00/1029925900.db2.gz KMLMUHLDQMHYHD-LUYSREMJSA-N 2 1 328.500 3.587 20 0 EHADMP COc1ccc(C)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628025 1029979002 /nfs/dbraw/zinc/97/90/02/1029979002.db2.gz AKJJTPNESKEQHR-HXUWFJFHSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628025 1029979019 /nfs/dbraw/zinc/97/90/19/1029979019.db2.gz AKJJTPNESKEQHR-HXUWFJFHSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628025 1029979032 /nfs/dbraw/zinc/97/90/32/1029979032.db2.gz AKJJTPNESKEQHR-HXUWFJFHSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628025 1029979045 /nfs/dbraw/zinc/97/90/45/1029979045.db2.gz AKJJTPNESKEQHR-HXUWFJFHSA-N 2 1 338.495 3.958 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)ccc1Br ZINC000583527242 1030038650 /nfs/dbraw/zinc/03/86/50/1030038650.db2.gz SKHUMHHKYFZKGT-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1Br ZINC000583527242 1030038668 /nfs/dbraw/zinc/03/86/68/1030038668.db2.gz SKHUMHHKYFZKGT-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000583527242 1030038686 /nfs/dbraw/zinc/03/86/86/1030038686.db2.gz SKHUMHHKYFZKGT-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453275402 1030059297 /nfs/dbraw/zinc/05/92/97/1030059297.db2.gz LTKMFSJQQKAJES-PWRODBHTSA-N 2 1 344.543 3.675 20 0 EHADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531932491 1030087419 /nfs/dbraw/zinc/08/74/19/1030087419.db2.gz PTEDCDZVBGDFSQ-OALUTQOASA-N 2 1 343.540 3.778 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000157795596 1030087637 /nfs/dbraw/zinc/08/76/37/1030087637.db2.gz DJSLGFBJMYZYMC-DUFSDNGMSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000157795596 1030087656 /nfs/dbraw/zinc/08/76/56/1030087656.db2.gz DJSLGFBJMYZYMC-DUFSDNGMSA-N 2 1 337.305 3.767 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482023289 1030166259 /nfs/dbraw/zinc/16/62/59/1030166259.db2.gz ZJRSUINIBBUPGW-LJQANCHMSA-N 2 1 343.515 3.717 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722747 1030195338 /nfs/dbraw/zinc/19/53/38/1030195338.db2.gz ALXGDEJBUDRWEH-QRQLOZEOSA-N 2 1 336.907 3.818 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723424 1030209769 /nfs/dbraw/zinc/20/97/69/1030209769.db2.gz NOAXLUJTHCYLPJ-UPJWGTAASA-N 2 1 349.327 3.916 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723424 1030209789 /nfs/dbraw/zinc/20/97/89/1030209789.db2.gz NOAXLUJTHCYLPJ-UPJWGTAASA-N 2 1 349.327 3.916 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1)C1CC1 ZINC000453407698 1030218705 /nfs/dbraw/zinc/21/87/05/1030218705.db2.gz SGCVWNGXUUTYCU-HXUWFJFHSA-N 2 1 327.447 3.774 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000508603516 1030285469 /nfs/dbraw/zinc/28/54/69/1030285469.db2.gz DEKFDMSPGGKECI-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000278349239 1030303322 /nfs/dbraw/zinc/30/33/22/1030303322.db2.gz YSEVCYYZGBGIAC-HNNXBMFYSA-N 2 1 342.439 3.513 20 0 EHADMP CC(C)[N@@H+](C)CC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000728572314 1030320544 /nfs/dbraw/zinc/32/05/44/1030320544.db2.gz XPNMHQROIKGCIO-UHFFFAOYSA-N 2 1 330.303 3.941 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000728572314 1030320556 /nfs/dbraw/zinc/32/05/56/1030320556.db2.gz XPNMHQROIKGCIO-UHFFFAOYSA-N 2 1 330.303 3.941 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000728572314 1030320570 /nfs/dbraw/zinc/32/05/70/1030320570.db2.gz XPNMHQROIKGCIO-UHFFFAOYSA-N 2 1 330.303 3.941 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453449235 1030322784 /nfs/dbraw/zinc/32/27/84/1030322784.db2.gz ZSTPYCBSJAYCHI-MISYRCLQSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000453449235 1030322806 /nfs/dbraw/zinc/32/28/06/1030322806.db2.gz ZSTPYCBSJAYCHI-MISYRCLQSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447575714 1030336015 /nfs/dbraw/zinc/33/60/15/1030336015.db2.gz URXVQLIVAQYMND-CTXDPNEZSA-N 2 1 338.499 3.711 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447575714 1030336023 /nfs/dbraw/zinc/33/60/23/1030336023.db2.gz URXVQLIVAQYMND-CTXDPNEZSA-N 2 1 338.499 3.711 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043450 1030363702 /nfs/dbraw/zinc/36/37/02/1030363702.db2.gz RWEOXLCJNQSQOA-HIFRSBDPSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043450 1030363720 /nfs/dbraw/zinc/36/37/20/1030363720.db2.gz RWEOXLCJNQSQOA-HIFRSBDPSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043450 1030363740 /nfs/dbraw/zinc/36/37/40/1030363740.db2.gz RWEOXLCJNQSQOA-HIFRSBDPSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)CC[C@@H]21 ZINC000092043450 1030363759 /nfs/dbraw/zinc/36/37/59/1030363759.db2.gz RWEOXLCJNQSQOA-HIFRSBDPSA-N 2 1 333.526 3.788 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157340635 1030467985 /nfs/dbraw/zinc/46/79/85/1030467985.db2.gz WXPOAOGIXGMDSY-LJQANCHMSA-N 2 1 327.447 3.824 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157340635 1030467996 /nfs/dbraw/zinc/46/79/96/1030467996.db2.gz WXPOAOGIXGMDSY-LJQANCHMSA-N 2 1 327.447 3.824 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000537649690 1030790597 /nfs/dbraw/zinc/79/05/97/1030790597.db2.gz VZMNBBSCMJYKOY-KRWDZBQOSA-N 2 1 332.513 3.834 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000551029887 1030940634 /nfs/dbraw/zinc/94/06/34/1030940634.db2.gz CEUZFSKVQCNSAI-ICSRJNTNSA-N 2 1 342.458 3.802 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000551029887 1030940649 /nfs/dbraw/zinc/94/06/49/1030940649.db2.gz CEUZFSKVQCNSAI-ICSRJNTNSA-N 2 1 342.458 3.802 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000551029888 1030942592 /nfs/dbraw/zinc/94/25/92/1030942592.db2.gz CEUZFSKVQCNSAI-QUCCMNQESA-N 2 1 342.458 3.802 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000551029888 1030942609 /nfs/dbraw/zinc/94/26/09/1030942609.db2.gz CEUZFSKVQCNSAI-QUCCMNQESA-N 2 1 342.458 3.802 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000157935030 1030960830 /nfs/dbraw/zinc/96/08/30/1030960830.db2.gz ZVIOQHIDXAIPCR-SAHWJRBASA-N 2 1 336.545 3.587 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000157930422 1030971846 /nfs/dbraw/zinc/97/18/46/1030971846.db2.gz ZJALRKGWARXTJY-IRXDYDNUSA-N 2 1 332.488 3.621 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)oc2cc1C ZINC000537692668 1030976873 /nfs/dbraw/zinc/97/68/73/1030976873.db2.gz KZFGTQIBWYLZJF-YFVAEKQCSA-N 2 1 342.483 3.733 20 0 EHADMP Cc1cc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)oc2cc1C ZINC000537692668 1030976881 /nfs/dbraw/zinc/97/68/81/1030976881.db2.gz KZFGTQIBWYLZJF-YFVAEKQCSA-N 2 1 342.483 3.733 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000483130561 1030991677 /nfs/dbraw/zinc/99/16/77/1030991677.db2.gz XMBCGLJCTOPNKF-QUCCMNQESA-N 2 1 348.531 3.571 20 0 EHADMP c1ccc([C@@H]2CC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000131471917 1031061585 /nfs/dbraw/zinc/06/15/85/1031061585.db2.gz BYIOPHDLDXGBBA-RTWAWAEBSA-N 2 1 342.527 3.947 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000278489063 1031068571 /nfs/dbraw/zinc/06/85/71/1031068571.db2.gz BGYUUZVKYSGCAD-GJZGRUSLSA-N 2 1 331.485 3.740 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289461 1031091142 /nfs/dbraw/zinc/09/11/42/1031091142.db2.gz NCTKFASBSRBZIL-AWEZNQCLSA-N 2 1 334.410 3.998 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289461 1031091164 /nfs/dbraw/zinc/09/11/64/1031091164.db2.gz NCTKFASBSRBZIL-AWEZNQCLSA-N 2 1 334.410 3.998 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289461 1031091184 /nfs/dbraw/zinc/09/11/84/1031091184.db2.gz NCTKFASBSRBZIL-AWEZNQCLSA-N 2 1 334.410 3.998 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483289461 1031091200 /nfs/dbraw/zinc/09/12/00/1031091200.db2.gz NCTKFASBSRBZIL-AWEZNQCLSA-N 2 1 334.410 3.998 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186529 1031092267 /nfs/dbraw/zinc/09/22/67/1031092267.db2.gz MHTOAQBPKLGYGV-BLLLJJGKSA-N 2 1 335.904 3.893 20 0 EHADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186529 1031092280 /nfs/dbraw/zinc/09/22/80/1031092280.db2.gz MHTOAQBPKLGYGV-BLLLJJGKSA-N 2 1 335.904 3.893 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657806717 1031114023 /nfs/dbraw/zinc/11/40/23/1031114023.db2.gz KMSXOGMNGAKFLO-QFIPXVFZSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657806717 1031114035 /nfs/dbraw/zinc/11/40/35/1031114035.db2.gz KMSXOGMNGAKFLO-QFIPXVFZSA-N 2 1 341.543 3.648 20 0 EHADMP c1csc(CN2CCC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)c1 ZINC000583917268 1031133047 /nfs/dbraw/zinc/13/30/47/1031133047.db2.gz MMEOHDXHVSMMTL-MRXNPFEDSA-N 2 1 341.524 3.634 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)c1 ZINC000583917268 1031133058 /nfs/dbraw/zinc/13/30/58/1031133058.db2.gz MMEOHDXHVSMMTL-MRXNPFEDSA-N 2 1 341.524 3.634 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)c1 ZINC000583917268 1031133063 /nfs/dbraw/zinc/13/30/63/1031133063.db2.gz MMEOHDXHVSMMTL-MRXNPFEDSA-N 2 1 341.524 3.634 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000343498645 1031143147 /nfs/dbraw/zinc/14/31/47/1031143147.db2.gz SOKXGHDTPLMURD-VAMGGRTRSA-N 2 1 345.531 3.507 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000343498645 1031143158 /nfs/dbraw/zinc/14/31/58/1031143158.db2.gz SOKXGHDTPLMURD-VAMGGRTRSA-N 2 1 345.531 3.507 20 0 EHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476979305 1031146388 /nfs/dbraw/zinc/14/63/88/1031146388.db2.gz DRMALCUHQUQLBS-SJORKVTESA-N 2 1 338.536 3.693 20 0 EHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476979305 1031146400 /nfs/dbraw/zinc/14/64/00/1031146400.db2.gz DRMALCUHQUQLBS-SJORKVTESA-N 2 1 338.536 3.693 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000483730218 1031305515 /nfs/dbraw/zinc/30/55/15/1031305515.db2.gz OEUJWGBKAFHAKL-WMEZAQDKSA-N 2 1 334.479 3.933 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000483730218 1031305528 /nfs/dbraw/zinc/30/55/28/1031305528.db2.gz OEUJWGBKAFHAKL-WMEZAQDKSA-N 2 1 334.479 3.933 20 0 EHADMP CC[C@H](C)c1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000527860807 1031338788 /nfs/dbraw/zinc/33/87/88/1031338788.db2.gz YEMXCWDLTSGNQD-OALUTQOASA-N 2 1 331.548 3.878 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997131 1031457012 /nfs/dbraw/zinc/45/70/12/1031457012.db2.gz YJPJJAKJLWSXIS-QGZVFWFLSA-N 2 1 344.890 3.598 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2CCC)cc1 ZINC000343579282 1031471588 /nfs/dbraw/zinc/47/15/88/1031471588.db2.gz VICVOGQXWOYPGQ-FQEVSTJZSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC000343579282 1031471592 /nfs/dbraw/zinc/47/15/92/1031471592.db2.gz VICVOGQXWOYPGQ-FQEVSTJZSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC)cc1 ZINC000343579282 1031471598 /nfs/dbraw/zinc/47/15/98/1031471598.db2.gz VICVOGQXWOYPGQ-FQEVSTJZSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484137697 1031476641 /nfs/dbraw/zinc/47/66/41/1031476641.db2.gz DWZNAKRKYZQFEN-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484137697 1031476652 /nfs/dbraw/zinc/47/66/52/1031476652.db2.gz DWZNAKRKYZQFEN-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998179 1031482369 /nfs/dbraw/zinc/48/23/69/1031482369.db2.gz GUKKRBBSFYEMBD-CYBMUJFWSA-N 2 1 330.806 3.706 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3cn(C)nc3c2)CC1 ZINC000527961262 1031528151 /nfs/dbraw/zinc/52/81/51/1031528151.db2.gz HYLRDWQELXLEMB-IIBYNOLFSA-N 2 1 340.515 3.706 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343592978 1031551713 /nfs/dbraw/zinc/55/17/13/1031551713.db2.gz AHGWPPMOCVTAMQ-PKOBYXMFSA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343592978 1031551725 /nfs/dbraw/zinc/55/17/25/1031551725.db2.gz AHGWPPMOCVTAMQ-PKOBYXMFSA-N 2 1 344.890 3.551 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000551699534 1031574785 /nfs/dbraw/zinc/57/47/85/1031574785.db2.gz FZVAEDDUFKLAEX-UHFFFAOYSA-N 2 1 329.410 3.653 20 0 EHADMP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000657823070 1031587523 /nfs/dbraw/zinc/58/75/23/1031587523.db2.gz HYQMQDLXWQLKOY-QGZVFWFLSA-N 2 1 339.321 3.700 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000528012862 1031594195 /nfs/dbraw/zinc/59/41/95/1031594195.db2.gz QOJSTSWEHLKSPI-IERDGZPVSA-N 2 1 338.499 3.848 20 0 EHADMP CCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178033960 1031608161 /nfs/dbraw/zinc/60/81/61/1031608161.db2.gz BVEIKHQTOHRLOO-QLFBSQMISA-N 2 1 339.549 3.554 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278615779 1031644605 /nfs/dbraw/zinc/64/46/05/1031644605.db2.gz FYPBSSOTMMVVBY-LELZANKISA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015414 1032028372 /nfs/dbraw/zinc/02/83/72/1032028372.db2.gz BUCNZRMHVSRPNK-IRXDYDNUSA-N 2 1 327.472 3.914 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015414 1032028387 /nfs/dbraw/zinc/02/83/87/1032028387.db2.gz BUCNZRMHVSRPNK-IRXDYDNUSA-N 2 1 327.472 3.914 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449015414 1032028402 /nfs/dbraw/zinc/02/84/02/1032028402.db2.gz BUCNZRMHVSRPNK-IRXDYDNUSA-N 2 1 327.472 3.914 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449015414 1032028417 /nfs/dbraw/zinc/02/84/17/1032028417.db2.gz BUCNZRMHVSRPNK-IRXDYDNUSA-N 2 1 327.472 3.914 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)C1 ZINC000657837593 1032032095 /nfs/dbraw/zinc/03/20/95/1032032095.db2.gz URBFLPDBIOYRIB-PXNSSMCTSA-N 2 1 338.499 3.740 20 0 EHADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195134778 1032048551 /nfs/dbraw/zinc/04/85/51/1032048551.db2.gz KDLFUKDSNDMTGC-KDOFPFPSSA-N 2 1 329.513 3.933 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459392463 1032051929 /nfs/dbraw/zinc/05/19/29/1032051929.db2.gz UIFUITPVCDKXKE-IJXRJRJASA-N 2 1 348.556 3.646 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2cc1OC ZINC000657890310 1033340430 /nfs/dbraw/zinc/34/04/30/1033340430.db2.gz PIJPAUBYTKEVMI-YZVOILCLSA-N 2 1 342.483 3.990 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2cc1OC ZINC000657890310 1033340431 /nfs/dbraw/zinc/34/04/31/1033340431.db2.gz PIJPAUBYTKEVMI-YZVOILCLSA-N 2 1 342.483 3.990 20 0 EHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1F ZINC000271867043 1033391017 /nfs/dbraw/zinc/39/10/17/1033391017.db2.gz LUOOZBVPDGHABH-NSHDSACASA-N 2 1 327.241 3.501 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@@H]1c1cccs1 ZINC000608059983 1033453203 /nfs/dbraw/zinc/45/32/03/1033453203.db2.gz UHTLKYYYMXFJTF-AUUYWEPGSA-N 2 1 340.496 3.797 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@@H]1c1cccs1 ZINC000608059983 1033453207 /nfs/dbraw/zinc/45/32/07/1033453207.db2.gz UHTLKYYYMXFJTF-AUUYWEPGSA-N 2 1 340.496 3.797 20 0 EHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657937131 1033699452 /nfs/dbraw/zinc/69/94/52/1033699452.db2.gz IXIKELDKKYZDAD-KRWDZBQOSA-N 2 1 326.406 3.878 20 0 EHADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655769716 1033788700 /nfs/dbraw/zinc/78/87/00/1033788700.db2.gz MXBYMQGMQMNMHN-HXUWFJFHSA-N 2 1 344.543 3.814 20 0 EHADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000669690522 1033791207 /nfs/dbraw/zinc/79/12/07/1033791207.db2.gz ACZAUUFLYVILLF-JOCHJYFZSA-N 2 1 343.559 3.658 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564030 1033796411 /nfs/dbraw/zinc/79/64/11/1033796411.db2.gz JOMPHJUZFIKPIZ-HXUWFJFHSA-N 2 1 328.500 3.926 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564030 1033796426 /nfs/dbraw/zinc/79/64/26/1033796426.db2.gz JOMPHJUZFIKPIZ-HXUWFJFHSA-N 2 1 328.500 3.926 20 0 EHADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000550645584 1033807758 /nfs/dbraw/zinc/80/77/58/1033807758.db2.gz YVRNEYOYWFSBNU-CQSZACIVSA-N 2 1 342.830 3.718 20 0 EHADMP Cn1ccnc1[C@@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000550645584 1033807776 /nfs/dbraw/zinc/80/77/76/1033807776.db2.gz YVRNEYOYWFSBNU-CQSZACIVSA-N 2 1 342.830 3.718 20 0 EHADMP c1cn(Cc2ccccc2)c(CCNc2cc[nH+]c3ccccc23)[nH+]1 ZINC000599453582 1033937490 /nfs/dbraw/zinc/93/74/90/1033937490.db2.gz YKTKPIPKBRVMDW-UHFFFAOYSA-N 2 1 328.419 3.556 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658142737 1033988231 /nfs/dbraw/zinc/98/82/31/1033988231.db2.gz WGMZKFJGNXITHE-QAPCUYQASA-N 2 1 344.524 3.728 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658138624 1034002923 /nfs/dbraw/zinc/00/29/23/1034002923.db2.gz JOFNXWHAEREJON-HTAPYJJXSA-N 2 1 338.495 3.666 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000548861079 1034042233 /nfs/dbraw/zinc/04/22/33/1034042233.db2.gz BTZLLXYFKIUICD-FXAWDEMLSA-N 2 1 328.500 3.761 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324066 1034133998 /nfs/dbraw/zinc/13/39/98/1034133998.db2.gz MGDGDTZPKRWNDG-SFTDATJTSA-N 2 1 335.580 3.693 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537324 1034166559 /nfs/dbraw/zinc/16/65/59/1034166559.db2.gz DHYTYMGNXDZDRI-KGLIPLIRSA-N 2 1 328.472 3.984 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537324 1034166565 /nfs/dbraw/zinc/16/65/65/1034166565.db2.gz DHYTYMGNXDZDRI-KGLIPLIRSA-N 2 1 328.472 3.984 20 0 EHADMP COc1ccccc1S[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329205 1034204693 /nfs/dbraw/zinc/20/46/93/1034204693.db2.gz PVPQMRVGLQWRTC-OFLPRAFFSA-N 2 1 334.529 3.734 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000450403969 1034281675 /nfs/dbraw/zinc/28/16/75/1034281675.db2.gz NIUTYSDDFHIJHV-HNNXBMFYSA-N 2 1 336.439 3.749 20 0 EHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)ccc21 ZINC000456283380 1034303813 /nfs/dbraw/zinc/30/38/13/1034303813.db2.gz SRETXPXIIUPPNH-PMACEKPBSA-N 2 1 341.499 3.581 20 0 EHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)ccc21 ZINC000456283383 1034303933 /nfs/dbraw/zinc/30/39/33/1034303933.db2.gz SRETXPXIIUPPNH-VQTJNVASSA-N 2 1 341.499 3.581 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000294776491 1034980862 /nfs/dbraw/zinc/98/08/62/1034980862.db2.gz NLZWUNKHUULWJL-ZDUSSCGKSA-N 2 1 343.334 3.960 20 0 EHADMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1 ZINC000065976674 1035047408 /nfs/dbraw/zinc/04/74/08/1035047408.db2.gz JOFONVULZJDYIK-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP CC(C)c1nc(CNC[C@H]2CCCC[N@H+]2C2CC2)c2ccccn21 ZINC000570098314 1035049870 /nfs/dbraw/zinc/04/98/70/1035049870.db2.gz AKEUFAVLSGIXJV-QGZVFWFLSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1nc(C[NH2+]C[C@H]2CCCCN2C2CC2)c2ccccn21 ZINC000570098314 1035049880 /nfs/dbraw/zinc/04/98/80/1035049880.db2.gz AKEUFAVLSGIXJV-QGZVFWFLSA-N 2 1 326.488 3.564 20 0 EHADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000289722341 1035149607 /nfs/dbraw/zinc/14/96/07/1035149607.db2.gz GBFPFCCXCSWXLR-GOSISDBHSA-N 2 1 329.513 3.843 20 0 EHADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000289722341 1035149613 /nfs/dbraw/zinc/14/96/13/1035149613.db2.gz GBFPFCCXCSWXLR-GOSISDBHSA-N 2 1 329.513 3.843 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC[C@H]1[NH3+] ZINC000647496515 1035304052 /nfs/dbraw/zinc/30/40/52/1035304052.db2.gz PWSRACGOFYKULD-FOIQADDNSA-N 2 1 328.431 3.574 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccn(C)n1 ZINC000414061768 1035426952 /nfs/dbraw/zinc/42/69/52/1035426952.db2.gz AZZUMBJNFOMSQD-QGZVFWFLSA-N 2 1 326.488 3.647 20 0 EHADMP COc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)sc2c1 ZINC000186673361 1035685215 /nfs/dbraw/zinc/68/52/15/1035685215.db2.gz KYVOVBJIWCQRQB-UHFFFAOYSA-N 2 1 345.512 3.613 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000397291180 1035708166 /nfs/dbraw/zinc/70/81/66/1035708166.db2.gz AFNGXIHKCFQTKE-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000397291180 1035708183 /nfs/dbraw/zinc/70/81/83/1035708183.db2.gz AFNGXIHKCFQTKE-UMVBOHGHSA-N 2 1 333.863 3.800 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000659876543 1035719087 /nfs/dbraw/zinc/71/90/87/1035719087.db2.gz JLLBIQJWFJDACW-UHFFFAOYSA-N 2 1 344.421 3.979 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000659876543 1035719107 /nfs/dbraw/zinc/71/91/07/1035719107.db2.gz JLLBIQJWFJDACW-UHFFFAOYSA-N 2 1 344.421 3.979 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCSCC2)cc1F ZINC000187059404 1035746787 /nfs/dbraw/zinc/74/67/87/1035746787.db2.gz BLFOYSAADYMCIP-CYBMUJFWSA-N 2 1 333.476 3.941 20 0 EHADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000414178551 1035900124 /nfs/dbraw/zinc/90/01/24/1035900124.db2.gz KMKTVLYNSKQQOT-RHSMWYFYSA-N 2 1 344.421 3.714 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414182499 1035926040 /nfs/dbraw/zinc/92/60/40/1035926040.db2.gz NIKIROOXOOXQOS-HUUCEWRRSA-N 2 1 326.431 3.979 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000414188488 1035956665 /nfs/dbraw/zinc/95/66/65/1035956665.db2.gz QHWVUHGYPLQKQD-MAUKXSAKSA-N 2 1 334.529 3.944 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000535082922 1035974856 /nfs/dbraw/zinc/97/48/56/1035974856.db2.gz FKJZYCNDJNZBJN-UHFFFAOYSA-N 2 1 347.522 3.978 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194675 1035994454 /nfs/dbraw/zinc/99/44/54/1035994454.db2.gz UONANMLIYUWZHM-KBPBESRZSA-N 2 1 334.895 3.609 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572285011 1036072254 /nfs/dbraw/zinc/07/22/54/1036072254.db2.gz QLILCTDMGGZNLH-LJQANCHMSA-N 2 1 339.483 3.621 20 0 EHADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572285011 1036072271 /nfs/dbraw/zinc/07/22/71/1036072271.db2.gz QLILCTDMGGZNLH-LJQANCHMSA-N 2 1 339.483 3.621 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)[C@H](C)O1 ZINC000414249400 1036274509 /nfs/dbraw/zinc/27/45/09/1036274509.db2.gz FGTGWCOSHSJDQO-RRBDIMIKSA-N 2 1 342.527 3.833 20 0 EHADMP c1ccc(CO[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168387995 1036290587 /nfs/dbraw/zinc/29/05/87/1036290587.db2.gz ZGBBDEDJCRGNIK-NRFANRHFSA-N 2 1 328.500 3.542 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000190765153 1036292088 /nfs/dbraw/zinc/29/20/88/1036292088.db2.gz AQAKHMBGHUUDPO-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000574956607 1036315528 /nfs/dbraw/zinc/31/55/28/1036315528.db2.gz UKVHNKGTPHNBCO-MSOLQXFVSA-N 2 1 332.536 3.691 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1CCCO1 ZINC000541545557 1036423682 /nfs/dbraw/zinc/42/36/82/1036423682.db2.gz IMIICFHEBBHFEU-TWFHAPMSSA-N 2 1 330.516 3.822 20 0 EHADMP CC(C)c1nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccn21 ZINC000572651293 1036445269 /nfs/dbraw/zinc/44/52/69/1036445269.db2.gz UJIXXJRQRALPPW-GOSISDBHSA-N 2 1 340.515 3.621 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000398113321 1036521124 /nfs/dbraw/zinc/52/11/24/1036521124.db2.gz OOADNKZCLYMUJR-BTHPGYMESA-N 2 1 330.516 3.690 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000398113321 1036521136 /nfs/dbraw/zinc/52/11/36/1036521136.db2.gz OOADNKZCLYMUJR-BTHPGYMESA-N 2 1 330.516 3.690 20 0 EHADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000192920022 1036553217 /nfs/dbraw/zinc/55/32/17/1036553217.db2.gz OUACQMXRKPXDTQ-FQEVSTJZSA-N 2 1 340.515 3.522 20 0 EHADMP C[C@@H]([NH2+]C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000192885392 1036560756 /nfs/dbraw/zinc/56/07/56/1036560756.db2.gz UXCHCHMCVRWQIS-LBFURVHYSA-N 2 1 341.543 3.865 20 0 EHADMP Fc1cc2cccnc2c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192929170 1036566255 /nfs/dbraw/zinc/56/62/55/1036566255.db2.gz FBFUAXZGIMIWFL-GOSISDBHSA-N 2 1 349.453 3.986 20 0 EHADMP COC1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000892606971 1036576403 /nfs/dbraw/zinc/57/64/03/1036576403.db2.gz NDBPJFXJBVGRBV-UHFFFAOYSA-N 2 1 330.516 3.754 20 0 EHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000414326078 1036683360 /nfs/dbraw/zinc/68/33/60/1036683360.db2.gz AGLGOOAZWHSIBO-YHINDDMVSA-N 2 1 342.527 3.570 20 0 EHADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472587488 1036695128 /nfs/dbraw/zinc/69/51/28/1036695128.db2.gz XQBAEKMNDZWUHM-FPOVZHCZSA-N 2 1 331.548 3.703 20 0 EHADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472587481 1036695227 /nfs/dbraw/zinc/69/52/27/1036695227.db2.gz XQBAEKMNDZWUHM-CTNGQTDRSA-N 2 1 331.548 3.703 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344640 1036803818 /nfs/dbraw/zinc/80/38/18/1036803818.db2.gz ZNFXEIWJRDFUHO-WIYYLYMNSA-N 2 1 337.511 3.859 20 0 EHADMP CC1([NH3+])CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000647531138 1036896550 /nfs/dbraw/zinc/89/65/50/1036896550.db2.gz DBSLFCBVFCTJOF-UHFFFAOYSA-N 2 1 328.431 3.718 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000311074229 1036953041 /nfs/dbraw/zinc/95/30/41/1036953041.db2.gz ZTLFZXGQXIZWFQ-SFTDATJTSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000311074229 1036953057 /nfs/dbraw/zinc/95/30/57/1036953057.db2.gz ZTLFZXGQXIZWFQ-SFTDATJTSA-N 2 1 336.479 3.982 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000302988285 1036962125 /nfs/dbraw/zinc/96/21/25/1036962125.db2.gz FJUZTXCELZXOAK-IBGZPJMESA-N 2 1 346.515 3.518 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000302988285 1036962142 /nfs/dbraw/zinc/96/21/42/1036962142.db2.gz FJUZTXCELZXOAK-IBGZPJMESA-N 2 1 346.515 3.518 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166593239 1036975562 /nfs/dbraw/zinc/97/55/62/1036975562.db2.gz CFMKCRLBKOPELD-FGZHOGPDSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166593239 1036975580 /nfs/dbraw/zinc/97/55/80/1036975580.db2.gz CFMKCRLBKOPELD-FGZHOGPDSA-N 2 1 341.543 3.779 20 0 EHADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166593239 1036975594 /nfs/dbraw/zinc/97/55/94/1036975594.db2.gz CFMKCRLBKOPELD-FGZHOGPDSA-N 2 1 341.543 3.779 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000590787301 1037052323 /nfs/dbraw/zinc/05/23/23/1037052323.db2.gz ZBRMTOIPAZINTB-UHFFFAOYSA-N 2 1 338.879 3.621 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000590786991 1037054670 /nfs/dbraw/zinc/05/46/70/1037054670.db2.gz TYSRMJMPYJEZRL-UHFFFAOYSA-N 2 1 327.472 3.894 20 0 EHADMP Brc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543611 1037093852 /nfs/dbraw/zinc/09/38/52/1037093852.db2.gz QHLBLRNNXGZTGB-UONOGXRCSA-N 2 1 343.334 3.722 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046205 1037170165 /nfs/dbraw/zinc/17/01/65/1037170165.db2.gz VAQNJNFWYMZZLR-LSDHHAIUSA-N 2 1 328.422 3.956 20 0 EHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000542280604 1037241019 /nfs/dbraw/zinc/24/10/19/1037241019.db2.gz ZOIDTKORPOMZDR-SIKLNZKXSA-N 2 1 343.559 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1F ZINC000532441703 1037293955 /nfs/dbraw/zinc/29/39/55/1037293955.db2.gz BDFNMVXFFNAWCT-YJBOKZPZSA-N 2 1 347.503 3.527 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000044533489 1037358101 /nfs/dbraw/zinc/35/81/01/1037358101.db2.gz GEFCFLFNPCNYHL-KTAKPFMOSA-N 2 1 337.305 3.627 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461543 1037364489 /nfs/dbraw/zinc/36/44/89/1037364489.db2.gz TXLWQDWGNFEPKW-FFZOFVMBSA-N 2 1 349.950 3.797 20 0 EHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000542467717 1037402610 /nfs/dbraw/zinc/40/26/10/1037402610.db2.gz QUMZTQOXSWMMTN-MHTWAQMVSA-N 2 1 335.580 3.693 20 0 EHADMP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000462809824 1037413580 /nfs/dbraw/zinc/41/35/80/1037413580.db2.gz SRCYSOIOTJIXQO-RXVVDRJESA-N 2 1 330.516 3.599 20 0 EHADMP CC[N@@H+](CCC1CCN(CC[NH+]2CCC(C)CC2)CC1)CC1CC1 ZINC000540049788 1037498709 /nfs/dbraw/zinc/49/87/09/1037498709.db2.gz INTBAELKBUGCID-UHFFFAOYSA-N 2 1 335.580 3.552 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CCN2CCC(C)CC2)CC1)CC1CC1 ZINC000540049788 1037498714 /nfs/dbraw/zinc/49/87/14/1037498714.db2.gz INTBAELKBUGCID-UHFFFAOYSA-N 2 1 335.580 3.552 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCN2CCC(C)CC2)CC1)CC1CC1 ZINC000540049788 1037498723 /nfs/dbraw/zinc/49/87/23/1037498723.db2.gz INTBAELKBUGCID-UHFFFAOYSA-N 2 1 335.580 3.552 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000423521322 1037522417 /nfs/dbraw/zinc/52/24/17/1037522417.db2.gz SPVCPCZFKOLCDW-BDTNDASRSA-N 3 1 337.511 3.892 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000423521322 1037522425 /nfs/dbraw/zinc/52/24/25/1037522425.db2.gz SPVCPCZFKOLCDW-BDTNDASRSA-N 3 1 337.511 3.892 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532496678 1037542282 /nfs/dbraw/zinc/54/22/82/1037542282.db2.gz BMELRSMALDXFFK-MJGOQNOKSA-N 2 1 343.540 3.696 20 0 EHADMP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000532496979 1037542538 /nfs/dbraw/zinc/54/25/38/1037542538.db2.gz LVPKMDNVJSQSKU-OALUTQOASA-N 2 1 343.540 3.778 20 0 EHADMP c1cc2[nH+]ccc(NC3CC[NH+](CCc4ccccc4)CC3)c2s1 ZINC000462924602 1037550059 /nfs/dbraw/zinc/55/00/59/1037550059.db2.gz DZOAZZVWKWKALM-UHFFFAOYSA-N 2 1 337.492 3.837 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000532538234 1037566319 /nfs/dbraw/zinc/56/63/19/1037566319.db2.gz FDNWPBFRGYTOTM-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000532538234 1037566332 /nfs/dbraw/zinc/56/63/32/1037566332.db2.gz FDNWPBFRGYTOTM-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000532538234 1037566342 /nfs/dbraw/zinc/56/63/42/1037566342.db2.gz FDNWPBFRGYTOTM-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000462957219 1037582554 /nfs/dbraw/zinc/58/25/54/1037582554.db2.gz LNBFFXMRMRBTAW-VQIMIIECSA-N 2 1 331.504 3.509 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000462957219 1037582568 /nfs/dbraw/zinc/58/25/68/1037582568.db2.gz LNBFFXMRMRBTAW-VQIMIIECSA-N 2 1 331.504 3.509 20 0 EHADMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C)CO1 ZINC000573498407 1037589529 /nfs/dbraw/zinc/58/95/29/1037589529.db2.gz DIXHVOBARVUYQL-VGSWGCGISA-N 2 1 336.479 3.603 20 0 EHADMP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089551358 1037615762 /nfs/dbraw/zinc/61/57/62/1037615762.db2.gz OWLKTNPNPLQUDI-AHIWAGSCSA-N 2 1 335.289 3.653 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C[C@H](C)O1 ZINC000540168594 1037637256 /nfs/dbraw/zinc/63/72/56/1037637256.db2.gz COSDIYXIGVFYAS-YUVXSKOASA-N 2 1 344.543 3.877 20 0 EHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415952698 1037721516 /nfs/dbraw/zinc/72/15/16/1037721516.db2.gz KBNVDBVOORKXDB-GOSISDBHSA-N 2 1 346.519 3.572 20 0 EHADMP CCCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463110106 1037763678 /nfs/dbraw/zinc/76/36/78/1037763678.db2.gz MARBMGXJMXEBKN-KRWDZBQOSA-N 2 1 349.485 3.647 20 0 EHADMP CCCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463110106 1037763688 /nfs/dbraw/zinc/76/36/88/1037763688.db2.gz MARBMGXJMXEBKN-KRWDZBQOSA-N 2 1 349.485 3.647 20 0 EHADMP C[NH+](C)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000463140597 1037788612 /nfs/dbraw/zinc/78/86/12/1037788612.db2.gz LSTSTLWJAWYJOT-NRFANRHFSA-N 2 1 329.532 3.756 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cccc(F)c3)CC2)cc1 ZINC000463137648 1037799741 /nfs/dbraw/zinc/79/97/41/1037799741.db2.gz LQFGPSBPRSDSJY-UHFFFAOYSA-N 2 1 344.449 3.804 20 0 EHADMP CCCc1csc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000494069284 1037819218 /nfs/dbraw/zinc/81/92/18/1037819218.db2.gz NWEBQHMCAOJROE-UHFFFAOYSA-N 2 1 330.501 3.558 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H]3Cc3ccccc3)CC2)cc1 ZINC000463206944 1037877722 /nfs/dbraw/zinc/87/77/22/1037877722.db2.gz RFKQPLQVJWNNEB-GGAORHGYSA-N 2 1 334.507 3.914 20 0 EHADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119951825 1037916889 /nfs/dbraw/zinc/91/68/89/1037916889.db2.gz VLKCVVHHCVNIOP-GOSISDBHSA-N 2 1 338.495 3.968 20 0 EHADMP CC(C)CSCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463290751 1038003525 /nfs/dbraw/zinc/00/35/25/1038003525.db2.gz UKWREKVLHBIVOZ-UHFFFAOYSA-N 2 1 338.536 3.811 20 0 EHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000106432420 1038077853 /nfs/dbraw/zinc/07/78/53/1038077853.db2.gz MWQXDPKLWZKWFK-QFBILLFUSA-N 2 1 331.504 3.586 20 0 EHADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000925525019 1038261798 /nfs/dbraw/zinc/26/17/98/1038261798.db2.gz DELSLVBDEYLWRL-XNDJQWLSSA-N 2 1 332.332 3.626 20 0 EHADMP CC[C@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125047625 1038270796 /nfs/dbraw/zinc/27/07/96/1038270796.db2.gz ADHIJMNAQPISCO-UZLBHIALSA-N 2 1 326.488 3.686 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125047625 1038270817 /nfs/dbraw/zinc/27/08/17/1038270817.db2.gz ADHIJMNAQPISCO-UZLBHIALSA-N 2 1 326.488 3.686 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168258054 1038334898 /nfs/dbraw/zinc/33/48/98/1038334898.db2.gz XCSTUFOLZTUMMQ-MISYRCLQSA-N 2 1 328.500 3.677 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000538796599 1038531769 /nfs/dbraw/zinc/53/17/69/1038531769.db2.gz MNEYUCDAHPYAPR-NZSAHSFTSA-N 2 1 336.907 3.640 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000538796599 1038531779 /nfs/dbraw/zinc/53/17/79/1038531779.db2.gz MNEYUCDAHPYAPR-NZSAHSFTSA-N 2 1 336.907 3.640 20 0 EHADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538797861 1038536883 /nfs/dbraw/zinc/53/68/83/1038536883.db2.gz BUOQPVUNILOVBP-WIYYLYMNSA-N 2 1 328.500 3.923 20 0 EHADMP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538797861 1038536888 /nfs/dbraw/zinc/53/68/88/1038536888.db2.gz BUOQPVUNILOVBP-WIYYLYMNSA-N 2 1 328.500 3.923 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000539053044 1038656550 /nfs/dbraw/zinc/65/65/50/1038656550.db2.gz OLVPSGKIPIIKMX-HOCLYGCPSA-N 2 1 346.462 3.925 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000539053044 1038656554 /nfs/dbraw/zinc/65/65/54/1038656554.db2.gz OLVPSGKIPIIKMX-HOCLYGCPSA-N 2 1 346.462 3.925 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000539086712 1038667501 /nfs/dbraw/zinc/66/75/01/1038667501.db2.gz PHXTZGOGWLXGSM-YWZLYKJASA-N 2 1 327.472 3.773 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000539073755 1038671566 /nfs/dbraw/zinc/67/15/66/1038671566.db2.gz YJOVMAMEECYBQA-IZZBFERCSA-N 2 1 330.516 3.802 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073552 1038857815 /nfs/dbraw/zinc/85/78/15/1038857815.db2.gz MTKJZOKXGFDABB-IRLDBZIGSA-N 2 1 338.495 3.528 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073552 1038857834 /nfs/dbraw/zinc/85/78/34/1038857834.db2.gz MTKJZOKXGFDABB-IRLDBZIGSA-N 2 1 338.495 3.528 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000479911053 1038886787 /nfs/dbraw/zinc/88/67/87/1038886787.db2.gz KJYOGAVWRJCTRL-RBUKOAKNSA-N 2 1 338.495 3.801 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000552047264 1038913186 /nfs/dbraw/zinc/91/31/86/1038913186.db2.gz GBMYULWLFDCRQY-RLLQIKCJSA-N 2 1 342.527 3.969 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048493 1038916894 /nfs/dbraw/zinc/91/68/94/1038916894.db2.gz UYUSEIAYYGPZEB-JYAXOCDNSA-N 3 1 343.559 3.892 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898388889 1038939030 /nfs/dbraw/zinc/93/90/30/1038939030.db2.gz WKHINWXRDQNWPE-PVSGBFIBSA-N 2 1 348.490 3.602 20 0 EHADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000898388889 1038939049 /nfs/dbraw/zinc/93/90/49/1038939049.db2.gz WKHINWXRDQNWPE-PVSGBFIBSA-N 2 1 348.490 3.602 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000552097670 1038980568 /nfs/dbraw/zinc/98/05/68/1038980568.db2.gz JYLRSJFUJFENDZ-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000552097670 1038980581 /nfs/dbraw/zinc/98/05/81/1038980581.db2.gz JYLRSJFUJFENDZ-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000552097670 1038980594 /nfs/dbraw/zinc/98/05/94/1038980594.db2.gz JYLRSJFUJFENDZ-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc3ccccc32)[C@H](C)C1 ZINC000429817886 1039020755 /nfs/dbraw/zinc/02/07/55/1039020755.db2.gz OLYAYVFPYHZALW-XLIONFOSSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc3ccccc32)[C@H](C)C1 ZINC000429817886 1039020772 /nfs/dbraw/zinc/02/07/72/1039020772.db2.gz OLYAYVFPYHZALW-XLIONFOSSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc3ccccc32)[C@H](C)C1 ZINC000429817886 1039020791 /nfs/dbraw/zinc/02/07/91/1039020791.db2.gz OLYAYVFPYHZALW-XLIONFOSSA-N 2 1 326.484 3.881 20 0 EHADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000552246485 1039109288 /nfs/dbraw/zinc/10/92/88/1039109288.db2.gz WDUBAJAHCPGKNF-NJDAHSKKSA-N 2 1 330.516 3.726 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924696838 1039133512 /nfs/dbraw/zinc/13/35/12/1039133512.db2.gz GSAAOLSYFQWXAR-MDMXATFFSA-N 2 1 328.500 3.507 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000509533472 1039143500 /nfs/dbraw/zinc/14/35/00/1039143500.db2.gz RFMVBTYRRMNWOP-IYBDPMFKSA-N 2 1 346.544 3.606 20 0 EHADMP FC(F)C1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898517974 1039186258 /nfs/dbraw/zinc/18/62/58/1039186258.db2.gz FHGWVSCCUGJXPK-QASGIJCMSA-N 2 1 334.454 3.920 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCCOC1 ZINC000898517660 1039187619 /nfs/dbraw/zinc/18/76/19/1039187619.db2.gz BDPVQVPVWHDINM-KVEDYDLGSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522022 1039198427 /nfs/dbraw/zinc/19/84/27/1039198427.db2.gz IQVZFZKUBODWJD-BHIFYINESA-N 2 1 335.495 3.780 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000480175260 1039264231 /nfs/dbraw/zinc/26/42/31/1039264231.db2.gz BDVNKYCFITVIMA-QGZVFWFLSA-N 2 1 348.535 3.941 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000480175260 1039264248 /nfs/dbraw/zinc/26/42/48/1039264248.db2.gz BDVNKYCFITVIMA-QGZVFWFLSA-N 2 1 348.535 3.941 20 0 EHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000480176502 1039266508 /nfs/dbraw/zinc/26/65/08/1039266508.db2.gz FETYNZBSCNOMDB-CVYSASLGSA-N 2 1 330.516 3.546 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488738380 1039365490 /nfs/dbraw/zinc/36/54/90/1039365490.db2.gz YWWKALNVPNGUDQ-BIENJYKASA-N 2 1 343.446 3.549 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000480641071 1039800038 /nfs/dbraw/zinc/80/00/38/1039800038.db2.gz YKFSHWGLBBOZHT-OKILXGFUSA-N 2 1 343.309 3.890 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554881847 1039899809 /nfs/dbraw/zinc/89/98/09/1039899809.db2.gz FOLHEZQXQWLUOX-MSOLQXFVSA-N 2 1 345.531 3.847 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000480705916 1039911094 /nfs/dbraw/zinc/91/10/94/1039911094.db2.gz DZKZJPDQUQBTFJ-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](CCF)C1)C1CC[NH+](C)CC1 ZINC000668591990 1039931535 /nfs/dbraw/zinc/93/15/35/1039931535.db2.gz GUEZWRPZYFWWOD-SFHVURJKSA-N 2 1 347.522 3.789 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480752597 1039974527 /nfs/dbraw/zinc/97/45/27/1039974527.db2.gz AFEMIPGWUXFYLK-MRXNPFEDSA-N 2 1 341.268 3.723 20 0 EHADMP CC(C)C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924751285 1040105489 /nfs/dbraw/zinc/10/54/89/1040105489.db2.gz AIDURJUQTVHZKV-ASJDWODUSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000480904730 1040138055 /nfs/dbraw/zinc/13/80/55/1040138055.db2.gz CBOIFTOGBOEXFH-RBUKOAKNSA-N 2 1 340.515 3.704 20 0 EHADMP CC[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555085462 1040142619 /nfs/dbraw/zinc/14/26/19/1040142619.db2.gz JTWVJNJEJIGBLJ-FWCIAMDOSA-N 2 1 336.907 3.614 20 0 EHADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000899234733 1040222255 /nfs/dbraw/zinc/22/22/55/1040222255.db2.gz PPGPJZTWEQYPEW-UHFFFAOYSA-N 2 1 340.471 3.631 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512614581 1040277055 /nfs/dbraw/zinc/27/70/55/1040277055.db2.gz WMQSQOATJHCDHG-GVDBMIGSSA-N 2 1 326.406 3.829 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000479469186 1040292894 /nfs/dbraw/zinc/29/28/94/1040292894.db2.gz GISDUSICZRCXAU-DQLDELGASA-N 2 1 348.506 3.930 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)C2CCN(CC3CC3)CC2)CC1 ZINC001168365483 1040380535 /nfs/dbraw/zinc/38/05/35/1040380535.db2.gz SHBXYBAHJGJIEO-KESTWPANSA-N 2 1 333.564 3.765 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365483 1040380553 /nfs/dbraw/zinc/38/05/53/1040380553.db2.gz SHBXYBAHJGJIEO-KESTWPANSA-N 3 1 333.564 3.765 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365483 1040380562 /nfs/dbraw/zinc/38/05/62/1040380562.db2.gz SHBXYBAHJGJIEO-KESTWPANSA-N 3 1 333.564 3.765 20 0 EHADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000512649849 1040395450 /nfs/dbraw/zinc/39/54/50/1040395450.db2.gz UZUJAKOFUSKIDH-NJDAHSKKSA-N 2 1 342.527 3.693 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1C1CCC1)C1CC[NH+](C)CC1 ZINC000512652584 1040403489 /nfs/dbraw/zinc/40/34/89/1040403489.db2.gz PPLNHTNXEXEROU-QFIPXVFZSA-N 2 1 341.543 3.982 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661736 1040447682 /nfs/dbraw/zinc/44/76/82/1040447682.db2.gz TYCYPLALVGYTEI-XPWALMASSA-N 2 1 349.522 3.823 20 0 EHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H](CO)c1ccccc1 ZINC000411221660 1040581033 /nfs/dbraw/zinc/58/10/33/1040581033.db2.gz HOSVYDYQZMPNIK-JOCHJYFZSA-N 2 1 338.495 3.838 20 0 EHADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1cccs1 ZINC000364258229 1040596432 /nfs/dbraw/zinc/59/64/32/1040596432.db2.gz HIVQXESURCIDED-RHSMWYFYSA-N 2 1 328.485 3.767 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486978813 1040615607 /nfs/dbraw/zinc/61/56/07/1040615607.db2.gz HSKKMZBCOQXGTE-GJZGRUSLSA-N 2 1 333.501 3.861 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667872446 1040782540 /nfs/dbraw/zinc/78/25/40/1040782540.db2.gz AEGMZEGPKDDTEY-CTNGQTDRSA-N 2 1 340.467 3.569 20 0 EHADMP COCCC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925664402 1040823741 /nfs/dbraw/zinc/82/37/41/1040823741.db2.gz DIFRLPMRGIMBGY-SJLPKXTDSA-N 2 1 336.907 3.724 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]C/C=C\c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487554353 1040939448 /nfs/dbraw/zinc/93/94/48/1040939448.db2.gz SJEBRHYDPXRHKI-AJMSFUPOSA-N 2 1 335.495 3.985 20 0 EHADMP COc1cccc(Cl)c1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000512827251 1041047688 /nfs/dbraw/zinc/04/76/88/1041047688.db2.gz JECATOFWBXTSNW-OAHLLOKOSA-N 2 1 345.874 3.986 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)CC[N@H+]1C ZINC000481583386 1041114769 /nfs/dbraw/zinc/11/47/69/1041114769.db2.gz QRFOFLXLJKUYHK-WMZOPIPTSA-N 2 1 344.499 3.690 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000646048336 1041245215 /nfs/dbraw/zinc/24/52/15/1041245215.db2.gz CUARFXRONXZIOB-OAQYLSRUSA-N 2 1 340.515 3.567 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000646048336 1041245239 /nfs/dbraw/zinc/24/52/39/1041245239.db2.gz CUARFXRONXZIOB-OAQYLSRUSA-N 2 1 340.515 3.567 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000433336855 1041311677 /nfs/dbraw/zinc/31/16/77/1041311677.db2.gz QZIBTLDDQBLSJY-LBPRGKRZSA-N 2 1 335.439 3.764 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433336339 1041312295 /nfs/dbraw/zinc/31/22/95/1041312295.db2.gz PDTGPZIJOZGAFI-GFCCVEGCSA-N 2 1 335.439 3.906 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433336339 1041312309 /nfs/dbraw/zinc/31/23/09/1041312309.db2.gz PDTGPZIJOZGAFI-GFCCVEGCSA-N 2 1 335.439 3.906 20 0 EHADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000512980390 1041337034 /nfs/dbraw/zinc/33/70/34/1041337034.db2.gz HXXHWPSTVIPMRR-FUHWJXTLSA-N 2 1 343.540 3.891 20 0 EHADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000512980391 1041337152 /nfs/dbraw/zinc/33/71/52/1041337152.db2.gz HXXHWPSTVIPMRR-SJLPKXTDSA-N 2 1 343.540 3.891 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000292980232 1041603411 /nfs/dbraw/zinc/60/34/11/1041603411.db2.gz QXGLLFIEKNWRBW-CQSZACIVSA-N 2 1 347.459 3.607 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000292980232 1041603412 /nfs/dbraw/zinc/60/34/12/1041603412.db2.gz QXGLLFIEKNWRBW-CQSZACIVSA-N 2 1 347.459 3.607 20 0 EHADMP c1cn([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000662751231 1042013411 /nfs/dbraw/zinc/01/34/11/1042013411.db2.gz VXFVEGAZDIRPLY-NRFANRHFSA-N 2 1 338.499 3.706 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000651928482 1042201787 /nfs/dbraw/zinc/20/17/87/1042201787.db2.gz IIYNYVKIRNVRIT-YHYVQYDKSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000651928482 1042201790 /nfs/dbraw/zinc/20/17/90/1042201790.db2.gz IIYNYVKIRNVRIT-YHYVQYDKSA-N 2 1 342.527 3.834 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)C1 ZINC000652349673 1042408829 /nfs/dbraw/zinc/40/88/29/1042408829.db2.gz YOLNWDLOQNMRAM-YVHKJVDXSA-N 2 1 348.490 3.975 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000188347167 1042595440 /nfs/dbraw/zinc/59/54/40/1042595440.db2.gz BPMBEOZHXIJHMP-HXUWFJFHSA-N 2 1 339.483 3.770 20 0 EHADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254283 1042638572 /nfs/dbraw/zinc/63/85/72/1042638572.db2.gz GVOPMWKEQUMEBW-BBRMVZONSA-N 2 1 342.405 3.609 20 0 EHADMP c1ccc2c(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nsc2c1 ZINC000662273813 1042649927 /nfs/dbraw/zinc/64/99/27/1042649927.db2.gz PRBKDPLMLDOLQV-HZPDHXFCSA-N 2 1 329.513 3.550 20 0 EHADMP COc1ccc2oc([C@@H](C)[NH2+]CCCn3cc[nH+]c3C)c(C)c2c1 ZINC000165634297 1042865659 /nfs/dbraw/zinc/86/56/59/1042865659.db2.gz KFTCQFDFLHZEPK-CQSZACIVSA-N 2 1 327.428 3.996 20 0 EHADMP c1c[nH]c([C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466648 1042890100 /nfs/dbraw/zinc/89/01/00/1042890100.db2.gz WUYITQCKYSQNTB-MJGOQNOKSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466648 1042890103 /nfs/dbraw/zinc/89/01/03/1042890103.db2.gz WUYITQCKYSQNTB-MJGOQNOKSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466648 1042890106 /nfs/dbraw/zinc/89/01/06/1042890106.db2.gz WUYITQCKYSQNTB-MJGOQNOKSA-N 2 1 330.520 3.743 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643475782 1042947161 /nfs/dbraw/zinc/94/71/61/1042947161.db2.gz LMFVWLNNOLCZHA-HXJFWZBSSA-N 2 1 346.515 3.814 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001167827828 1042974258 /nfs/dbraw/zinc/97/42/58/1042974258.db2.gz XZLKZAZANOFXAV-SFHVURJKSA-N 2 1 340.515 3.741 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432350377 1042986383 /nfs/dbraw/zinc/98/63/83/1042986383.db2.gz YRUZAZMZCPGNSX-OAHLLOKOSA-N 2 1 344.421 3.604 20 0 EHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414699 1043130756 /nfs/dbraw/zinc/13/07/56/1043130756.db2.gz ALCYYBZBWWOOPW-GJZGRUSLSA-N 2 1 344.952 3.813 20 0 EHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414699 1043130759 /nfs/dbraw/zinc/13/07/59/1043130759.db2.gz ALCYYBZBWWOOPW-GJZGRUSLSA-N 2 1 344.952 3.813 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001167841829 1043132138 /nfs/dbraw/zinc/13/21/38/1043132138.db2.gz RWJZCRYNGLIBRS-KRWDZBQOSA-N 2 1 343.556 3.734 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C12CCC2 ZINC000344033741 1043134235 /nfs/dbraw/zinc/13/42/35/1043134235.db2.gz MFPBRMPVZOPBBP-UXHICEINSA-N 2 1 330.516 3.964 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001167841866 1043134515 /nfs/dbraw/zinc/13/45/15/1043134515.db2.gz SRCSETYDKOCBEA-IUODEOHRSA-N 2 1 332.414 3.853 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)(F)F ZINC000279011244 1043189016 /nfs/dbraw/zinc/18/90/16/1043189016.db2.gz SXGOKSYQTVDABQ-OLZOCXBDSA-N 2 1 339.361 3.695 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450489 1043292236 /nfs/dbraw/zinc/29/22/36/1043292236.db2.gz XGGBZOOIJHQAMJ-DLBZAZTESA-N 2 1 336.545 3.950 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450489 1043292247 /nfs/dbraw/zinc/29/22/47/1043292247.db2.gz XGGBZOOIJHQAMJ-DLBZAZTESA-N 2 1 336.545 3.950 20 0 EHADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000365629126 1043753079 /nfs/dbraw/zinc/75/30/79/1043753079.db2.gz MNHOMJGVSUNIJA-LLVKDONJSA-N 2 1 340.290 3.624 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3[C@@H](C)CCC[C@@H]3C)CC2)oc1C ZINC000162762010 1043784054 /nfs/dbraw/zinc/78/40/54/1043784054.db2.gz KXIKUQLDRJQALA-GJZGRUSLSA-N 2 1 333.520 3.918 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3[C@H](C)CCC[C@H]3C)CC2)oc1C ZINC000162762124 1043785060 /nfs/dbraw/zinc/78/50/60/1043785060.db2.gz KXIKUQLDRJQALA-HUUCEWRRSA-N 2 1 333.520 3.918 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000162871221 1043810627 /nfs/dbraw/zinc/81/06/27/1043810627.db2.gz GHZYUNLLQTTZPU-UHFFFAOYSA-N 2 1 349.425 3.793 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344444444 1044003732 /nfs/dbraw/zinc/00/37/32/1044003732.db2.gz GVAYVQIAZQHYHG-NQIIRXRSSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444444 1044003743 /nfs/dbraw/zinc/00/37/43/1044003743.db2.gz GVAYVQIAZQHYHG-NQIIRXRSSA-N 2 1 341.543 3.504 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000344574246 1044135286 /nfs/dbraw/zinc/13/52/86/1044135286.db2.gz CGXDLPDGIDTHDF-JZXOWHBKSA-N 2 1 331.504 3.544 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000344574246 1044135292 /nfs/dbraw/zinc/13/52/92/1044135292.db2.gz CGXDLPDGIDTHDF-JZXOWHBKSA-N 2 1 331.504 3.544 20 0 EHADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000261551968 1044455228 /nfs/dbraw/zinc/45/52/28/1044455228.db2.gz FYEMEGRPPATHDB-YPAWHYETSA-N 2 1 341.543 3.551 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163219275 1125662455 /nfs/dbraw/zinc/66/24/55/1125662455.db2.gz QHZOLQBAZUKGEY-HOCLYGCPSA-N 2 1 346.906 3.827 20 0 EHADMP CCc1oc2ccccc2c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000620756867 1125697910 /nfs/dbraw/zinc/69/79/10/1125697910.db2.gz BSWUYEGDOMKJMZ-CALCHBBNSA-N 2 1 344.499 3.974 20 0 EHADMP CC[N@H+]1CCC[C@H](CNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623385036 1126939471 /nfs/dbraw/zinc/93/94/71/1126939471.db2.gz ZCGNHTOEMRENFT-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623385036 1126939474 /nfs/dbraw/zinc/93/94/74/1126939474.db2.gz ZCGNHTOEMRENFT-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623385036 1126939476 /nfs/dbraw/zinc/93/94/76/1126939476.db2.gz ZCGNHTOEMRENFT-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC1CCCC1 ZINC000623400465 1126945447 /nfs/dbraw/zinc/94/54/47/1126945447.db2.gz VJVGTHRBQGBYEQ-KRWDZBQOSA-N 2 1 346.515 3.979 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC1CCCC1 ZINC000623400465 1126945449 /nfs/dbraw/zinc/94/54/49/1126945449.db2.gz VJVGTHRBQGBYEQ-KRWDZBQOSA-N 2 1 346.515 3.979 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486696 1126965598 /nfs/dbraw/zinc/96/55/98/1126965598.db2.gz DCVOMNDATLJTNU-ZIAGYGMSSA-N 2 1 339.886 3.520 20 0 EHADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccc(Cl)cc21 ZINC000623502380 1126971581 /nfs/dbraw/zinc/97/15/81/1126971581.db2.gz HBTHQQQXJRCZPA-INIZCTEOSA-N 2 1 333.907 3.837 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccncc2OCCC(C)(C)C)CC1(C)C ZINC000623525929 1126975683 /nfs/dbraw/zinc/97/56/83/1126975683.db2.gz COHHEBMSYWKGBW-QGZVFWFLSA-N 2 1 333.520 3.859 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH+](C)C(C)(C)C2)CCC1 ZINC000623538553 1126979572 /nfs/dbraw/zinc/97/95/72/1126979572.db2.gz JHXQZPHPVWWTMT-LJQANCHMSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623538553 1126979573 /nfs/dbraw/zinc/97/95/73/1126979573.db2.gz JHXQZPHPVWWTMT-LJQANCHMSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623538553 1126979576 /nfs/dbraw/zinc/97/95/76/1126979576.db2.gz JHXQZPHPVWWTMT-LJQANCHMSA-N 2 1 329.532 3.504 20 0 EHADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623538553 1126979579 /nfs/dbraw/zinc/97/95/79/1126979579.db2.gz JHXQZPHPVWWTMT-LJQANCHMSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCCCO1 ZINC000623898696 1127209706 /nfs/dbraw/zinc/20/97/06/1127209706.db2.gz OQAYLEFVDIKWHO-UTKZUKDTSA-N 2 1 342.483 3.959 20 0 EHADMP C[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)CC1(C)C ZINC000623941343 1127219633 /nfs/dbraw/zinc/21/96/33/1127219633.db2.gz PACVSDUCVFLIAR-GOSISDBHSA-N 2 1 333.545 3.520 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1Br ZINC000624119780 1127255247 /nfs/dbraw/zinc/25/52/47/1127255247.db2.gz JNGUMACGDHFMRC-UONOGXRCSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1Br ZINC000624119780 1127255249 /nfs/dbraw/zinc/25/52/49/1127255249.db2.gz JNGUMACGDHFMRC-UONOGXRCSA-N 2 1 325.294 3.832 20 0 EHADMP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000181481015 1127278801 /nfs/dbraw/zinc/27/88/01/1127278801.db2.gz YVBQIZMBBGJOFQ-GJZGRUSLSA-N 2 1 328.456 3.966 20 0 EHADMP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000181481015 1127278803 /nfs/dbraw/zinc/27/88/03/1127278803.db2.gz YVBQIZMBBGJOFQ-GJZGRUSLSA-N 2 1 328.456 3.966 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181975267 1127305638 /nfs/dbraw/zinc/30/56/38/1127305638.db2.gz JQTADRFMDPXFNP-HXUWFJFHSA-N 2 1 343.471 3.730 20 0 EHADMP C[C@H](CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)[NH+]1CCCCC1 ZINC000184496831 1127406664 /nfs/dbraw/zinc/40/66/64/1127406664.db2.gz XOAWLTDEBSJLJR-QZTJIDSGSA-N 2 1 343.515 3.729 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370671896 1127428999 /nfs/dbraw/zinc/42/89/99/1127428999.db2.gz ZPWPZALEODUELR-DJIMGWMZSA-N 2 1 338.442 3.826 20 0 EHADMP CCOc1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185701349 1127430042 /nfs/dbraw/zinc/43/00/42/1127430042.db2.gz SRFAGOIGECRNRS-MSOLQXFVSA-N 2 1 346.515 3.707 20 0 EHADMP COc1cccc2c1CCC[C@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194872479 1127469111 /nfs/dbraw/zinc/46/91/11/1127469111.db2.gz VVNOENXGKQLILK-FUHIMQAGSA-N 2 1 346.515 3.552 20 0 EHADMP C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382410715 1127508746 /nfs/dbraw/zinc/50/87/46/1127508746.db2.gz FXQSKSDUYDCVGH-WDSOQIARSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000765760078 1127907413 /nfs/dbraw/zinc/90/74/13/1127907413.db2.gz ZJKKPUUZFKKEDQ-HZPDHXFCSA-N 2 1 337.471 3.673 20 0 EHADMP Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000282237345 1128118804 /nfs/dbraw/zinc/11/88/04/1128118804.db2.gz ZRLIEPQRKTXECI-UNMCSNQZSA-N 2 1 343.559 3.589 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671750000 1128202631 /nfs/dbraw/zinc/20/26/31/1128202631.db2.gz FJPUUFMODLSJBJ-ZDUSSCGKSA-N 2 1 329.444 3.591 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000067121216 1128234852 /nfs/dbraw/zinc/23/48/52/1128234852.db2.gz GGDZFMQECPRAJI-ZDUSSCGKSA-N 2 1 332.822 3.761 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000067121216 1128234854 /nfs/dbraw/zinc/23/48/54/1128234854.db2.gz GGDZFMQECPRAJI-ZDUSSCGKSA-N 2 1 332.822 3.761 20 0 EHADMP CC(C[NH+]1CCC[C@@H]1c1ccc[nH]1)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000074350413 1128339588 /nfs/dbraw/zinc/33/95/88/1128339588.db2.gz IWJLGXYDRPGCHE-WOJBJXKFSA-N 2 1 326.488 3.953 20 0 EHADMP CC(C[NH+]1CCC[C@@H]1c1ccc[nH]1)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000074350413 1128339593 /nfs/dbraw/zinc/33/95/93/1128339593.db2.gz IWJLGXYDRPGCHE-WOJBJXKFSA-N 2 1 326.488 3.953 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000542671971 1128463260 /nfs/dbraw/zinc/46/32/60/1128463260.db2.gz ZEMSHRGNQAGUKF-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000542671971 1128463262 /nfs/dbraw/zinc/46/32/62/1128463262.db2.gz ZEMSHRGNQAGUKF-XLIONFOSSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655834940 1128491921 /nfs/dbraw/zinc/49/19/21/1128491921.db2.gz HSQFJGMLJMTLMO-CIQXWFTPSA-N 2 1 335.495 3.798 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000655835339 1128492165 /nfs/dbraw/zinc/49/21/65/1128492165.db2.gz NQHYGTVVLFCWRR-WENLIBGGSA-N 2 1 349.522 3.903 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000655845429 1128499009 /nfs/dbraw/zinc/49/90/09/1128499009.db2.gz FWNDEOLOUTVNNE-LSDHHAIUSA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000655845429 1128499012 /nfs/dbraw/zinc/49/90/12/1128499012.db2.gz FWNDEOLOUTVNNE-LSDHHAIUSA-N 2 1 340.389 3.791 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921686439 1128519706 /nfs/dbraw/zinc/51/97/06/1128519706.db2.gz SKTZZMSOQKVHRV-INIZCTEOSA-N 2 1 336.439 3.805 20 0 EHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000338685974 1128527978 /nfs/dbraw/zinc/52/79/78/1128527978.db2.gz AJHKQKPEYLEVHI-UHFFFAOYSA-N 2 1 328.500 3.577 20 0 EHADMP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000108428859 1128634778 /nfs/dbraw/zinc/63/47/78/1128634778.db2.gz XRDKXVAADJTYLC-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000542845716 1128685939 /nfs/dbraw/zinc/68/59/39/1128685939.db2.gz HLNICVMIGVYMJS-QMMLZNLJSA-N 2 1 330.516 3.702 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC000156309637 1128734705 /nfs/dbraw/zinc/73/47/05/1128734705.db2.gz AGVNIIKIMXJZPX-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227770310 1120181399 /nfs/dbraw/zinc/18/13/99/1120181399.db2.gz GFKLVCJKGBACOT-UHFFFAOYSA-N 2 1 339.730 3.986 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000186931733 1120481009 /nfs/dbraw/zinc/48/10/09/1120481009.db2.gz VMFAAACXQLANNB-HXUWFJFHSA-N 2 1 330.516 3.788 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494499585 1120573197 /nfs/dbraw/zinc/57/31/97/1120573197.db2.gz ZUKBMMDCGCNGKO-ZTFGCOKTSA-N 2 1 340.870 3.773 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2csc3ccccc23)CC1 ZINC000191437849 1120673472 /nfs/dbraw/zinc/67/34/72/1120673472.db2.gz FIXJEZYDCNIKFV-UHFFFAOYSA-N 2 1 345.556 3.749 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000494901451 1120898267 /nfs/dbraw/zinc/89/82/67/1120898267.db2.gz MTEZZPCIACMVBT-OAQYLSRUSA-N 2 1 330.516 3.663 20 0 EHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495071842 1120944642 /nfs/dbraw/zinc/94/46/42/1120944642.db2.gz YOMMOUKDWUMKFX-ABHNRTSZSA-N 2 1 334.508 3.648 20 0 EHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495071842 1120944646 /nfs/dbraw/zinc/94/46/46/1120944646.db2.gz YOMMOUKDWUMKFX-ABHNRTSZSA-N 2 1 334.508 3.648 20 0 EHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477509 1120956015 /nfs/dbraw/zinc/95/60/15/1120956015.db2.gz CHURJECVDQWPCG-GHTZIAJQSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477509 1120956020 /nfs/dbraw/zinc/95/60/20/1120956020.db2.gz CHURJECVDQWPCG-GHTZIAJQSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477509 1120956025 /nfs/dbraw/zinc/95/60/25/1120956025.db2.gz CHURJECVDQWPCG-GHTZIAJQSA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477509 1120956029 /nfs/dbraw/zinc/95/60/29/1120956029.db2.gz CHURJECVDQWPCG-GHTZIAJQSA-N 2 1 348.506 3.580 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000495432609 1121196120 /nfs/dbraw/zinc/19/61/20/1121196120.db2.gz JRFNNPUVECAKRJ-MCNSAMFCSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237625244 1121489640 /nfs/dbraw/zinc/48/96/40/1121489640.db2.gz PXOWYCIKEOCXPK-UHFFFAOYSA-N 2 1 340.486 3.973 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000397319164 1121705752 /nfs/dbraw/zinc/70/57/52/1121705752.db2.gz MLKQTZNRSMXYRP-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000397319164 1121705758 /nfs/dbraw/zinc/70/57/58/1121705758.db2.gz MLKQTZNRSMXYRP-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842360 1121796966 /nfs/dbraw/zinc/79/69/66/1121796966.db2.gz OLUIIPIJACKWMB-CYBMUJFWSA-N 2 1 325.294 3.614 20 0 EHADMP N[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612376 1121826900 /nfs/dbraw/zinc/82/69/00/1121826900.db2.gz RYGDRQJVOILLMI-FGZHOGPDSA-N 2 1 335.495 3.633 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763414315 1122232341 /nfs/dbraw/zinc/23/23/41/1122232341.db2.gz IRWAMBMBFCCGLU-UMGGQSCQSA-N 2 1 342.483 3.734 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763414315 1122232343 /nfs/dbraw/zinc/23/23/43/1122232343.db2.gz IRWAMBMBFCCGLU-UMGGQSCQSA-N 2 1 342.483 3.734 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231216 1122893141 /nfs/dbraw/zinc/89/31/41/1122893141.db2.gz DIEZGOUBCZPBRY-NHCUHLMSSA-N 2 1 342.527 3.693 20 0 EHADMP CCc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215064 1123097208 /nfs/dbraw/zinc/09/72/08/1123097208.db2.gz HEPPCAOQSHEHGK-JKSUJKDBSA-N 2 1 325.294 3.713 20 0 EHADMP CCc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215064 1123097213 /nfs/dbraw/zinc/09/72/13/1123097213.db2.gz HEPPCAOQSHEHGK-JKSUJKDBSA-N 2 1 325.294 3.713 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H]3C(C)C)CC2)cs1 ZINC000556872902 1123163270 /nfs/dbraw/zinc/16/32/70/1123163270.db2.gz SEKSORXAWYGORL-ROUUACIJSA-N 2 1 335.561 3.942 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858960 1123169698 /nfs/dbraw/zinc/16/96/98/1123169698.db2.gz FIBHMROWVUNIQH-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858960 1123169700 /nfs/dbraw/zinc/16/97/00/1123169700.db2.gz FIBHMROWVUNIQH-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858960 1123169703 /nfs/dbraw/zinc/16/97/03/1123169703.db2.gz FIBHMROWVUNIQH-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000072858960 1123169706 /nfs/dbraw/zinc/16/97/06/1123169706.db2.gz FIBHMROWVUNIQH-KBPBESRZSA-N 2 1 330.394 3.920 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000556892370 1123177036 /nfs/dbraw/zinc/17/70/36/1123177036.db2.gz KOFMCYRBOMAYJO-IRFCIJBXSA-N 2 1 327.516 3.639 20 0 EHADMP CC[N@H+](Cc1ccncc1Cl)CC1CCN(c2ccccn2)CC1 ZINC000076108794 1123468738 /nfs/dbraw/zinc/46/87/38/1123468738.db2.gz GLENEFAZRUKFDP-UHFFFAOYSA-N 2 1 344.890 3.869 20 0 EHADMP Clc1ccccc1OCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887392 1123560962 /nfs/dbraw/zinc/56/09/62/1123560962.db2.gz DYQKKGXPYPDGQO-QAPCUYQASA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887392 1123560965 /nfs/dbraw/zinc/56/09/65/1123560965.db2.gz DYQKKGXPYPDGQO-QAPCUYQASA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887392 1123560966 /nfs/dbraw/zinc/56/09/66/1123560966.db2.gz DYQKKGXPYPDGQO-QAPCUYQASA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887392 1123560968 /nfs/dbraw/zinc/56/09/68/1123560968.db2.gz DYQKKGXPYPDGQO-QAPCUYQASA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887392 1123560976 /nfs/dbraw/zinc/56/09/76/1123560976.db2.gz DYQKKGXPYPDGQO-QAPCUYQASA-N 2 1 334.891 3.668 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134935173 1123567053 /nfs/dbraw/zinc/56/70/53/1123567053.db2.gz WTGJYWIXLUIMGK-QAPCUYQASA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134935173 1123567056 /nfs/dbraw/zinc/56/70/56/1123567056.db2.gz WTGJYWIXLUIMGK-QAPCUYQASA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134935173 1123567062 /nfs/dbraw/zinc/56/70/62/1123567062.db2.gz WTGJYWIXLUIMGK-QAPCUYQASA-N 2 1 336.426 3.737 20 0 EHADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000246018535 1124001291 /nfs/dbraw/zinc/00/12/91/1124001291.db2.gz JKBORWIMKAFGGI-HNAYVOBHSA-N 2 1 340.458 3.754 20 0 EHADMP Clc1ccccc1OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246452790 1124470420 /nfs/dbraw/zinc/47/04/20/1124470420.db2.gz DYQKKGXPYPDGQO-MAUKXSAKSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246452790 1124470424 /nfs/dbraw/zinc/47/04/24/1124470424.db2.gz DYQKKGXPYPDGQO-MAUKXSAKSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246452790 1124470427 /nfs/dbraw/zinc/47/04/27/1124470427.db2.gz DYQKKGXPYPDGQO-MAUKXSAKSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246452790 1124470432 /nfs/dbraw/zinc/47/04/32/1124470432.db2.gz DYQKKGXPYPDGQO-MAUKXSAKSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246452790 1124470435 /nfs/dbraw/zinc/47/04/35/1124470435.db2.gz DYQKKGXPYPDGQO-MAUKXSAKSA-N 2 1 334.891 3.668 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000379843517 1124562731 /nfs/dbraw/zinc/56/27/31/1124562731.db2.gz HKGBRLJONACEGG-PWRODBHTSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246981926 1124576228 /nfs/dbraw/zinc/57/62/28/1124576228.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246981926 1124576235 /nfs/dbraw/zinc/57/62/35/1124576235.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246981926 1124576240 /nfs/dbraw/zinc/57/62/40/1124576240.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246981926 1124576247 /nfs/dbraw/zinc/57/62/47/1124576247.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246981926 1124576252 /nfs/dbraw/zinc/57/62/52/1124576252.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246981926 1124576256 /nfs/dbraw/zinc/57/62/56/1124576256.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246981926 1124576262 /nfs/dbraw/zinc/57/62/62/1124576262.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246981926 1124576270 /nfs/dbraw/zinc/57/62/70/1124576270.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246981926 1124576273 /nfs/dbraw/zinc/57/62/73/1124576273.db2.gz JSXUJULSBLVCDA-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2C2CCCCC2)[C@@H](C)C1 ZINC000248446516 1124664301 /nfs/dbraw/zinc/66/43/01/1124664301.db2.gz CPGQEICIWLTVTQ-QFBILLFUSA-N 2 1 332.536 3.630 20 0 EHADMP COc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248518503 1124670677 /nfs/dbraw/zinc/67/06/77/1124670677.db2.gz AROIPRCOEKZGNB-AZUAARDMSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248518503 1124670680 /nfs/dbraw/zinc/67/06/80/1124670680.db2.gz AROIPRCOEKZGNB-AZUAARDMSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248518503 1124670682 /nfs/dbraw/zinc/67/06/82/1124670682.db2.gz AROIPRCOEKZGNB-AZUAARDMSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248518503 1124670684 /nfs/dbraw/zinc/67/06/84/1124670684.db2.gz AROIPRCOEKZGNB-AZUAARDMSA-N 2 1 328.500 3.577 20 0 EHADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000249178439 1124743908 /nfs/dbraw/zinc/74/39/08/1124743908.db2.gz GRAFUDFCBUWCBZ-QFBILLFUSA-N 2 1 344.478 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000249178439 1124743916 /nfs/dbraw/zinc/74/39/16/1124743916.db2.gz GRAFUDFCBUWCBZ-QFBILLFUSA-N 2 1 344.478 3.740 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000353621289 1124982084 /nfs/dbraw/zinc/98/20/84/1124982084.db2.gz LQAAYCCJGTZWBW-POAQFYNOSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3[nH]ncc32)C[N@@H+]1Cc1ccccc1 ZINC000353621289 1124982087 /nfs/dbraw/zinc/98/20/87/1124982087.db2.gz LQAAYCCJGTZWBW-POAQFYNOSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3[nH]ncc32)C[N@H+]1Cc1ccccc1 ZINC000353621289 1124982090 /nfs/dbraw/zinc/98/20/90/1124982090.db2.gz LQAAYCCJGTZWBW-POAQFYNOSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1occc1Br ZINC000735321033 1131331590 /nfs/dbraw/zinc/33/15/90/1131331590.db2.gz VEPVPKNFPJCSKE-ZDUSSCGKSA-N 2 1 329.282 3.786 20 0 EHADMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000765973128 1129223862 /nfs/dbraw/zinc/22/38/62/1129223862.db2.gz CXFCZNVVBIDMFA-AZUAARDMSA-N 2 1 330.516 3.906 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC[N@H+]1C ZINC000499708469 1129387168 /nfs/dbraw/zinc/38/71/68/1129387168.db2.gz UJTMQIYKJAEXPT-UZLBHIALSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000358925922 1129428278 /nfs/dbraw/zinc/42/82/78/1129428278.db2.gz FKIBVBCIFJBHFI-FCEWJHQRSA-N 2 1 346.515 3.649 20 0 EHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000359142936 1129442721 /nfs/dbraw/zinc/44/27/21/1129442721.db2.gz MBAOMKDKHPEVDO-UHFFFAOYSA-N 2 1 346.441 3.580 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)CC1 ZINC000093133199 1129577570 /nfs/dbraw/zinc/57/75/70/1129577570.db2.gz ALDQWQJRMPPOOR-QHCPKHFHSA-N 2 1 349.522 3.565 20 0 EHADMP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000675492886 1130412832 /nfs/dbraw/zinc/41/28/32/1130412832.db2.gz JAGIXWVANYLZOM-QUCCMNQESA-N 2 1 341.543 3.776 20 0 EHADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881810 1130501096 /nfs/dbraw/zinc/50/10/96/1130501096.db2.gz NPQAGNVCJQCRMR-SFTDATJTSA-N 2 1 348.506 3.626 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000536838554 1130594197 /nfs/dbraw/zinc/59/41/97/1130594197.db2.gz HWGGKCNKIMAWJL-RZFNWQHOSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000536838554 1130594201 /nfs/dbraw/zinc/59/42/01/1130594201.db2.gz HWGGKCNKIMAWJL-RZFNWQHOSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838554 1130594203 /nfs/dbraw/zinc/59/42/03/1130594203.db2.gz HWGGKCNKIMAWJL-RZFNWQHOSA-N 2 1 349.522 3.816 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000536838554 1130594206 /nfs/dbraw/zinc/59/42/06/1130594206.db2.gz HWGGKCNKIMAWJL-RZFNWQHOSA-N 2 1 349.522 3.816 20 0 EHADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172429914 1131724856 /nfs/dbraw/zinc/72/48/56/1131724856.db2.gz DSONBEYGCHUNQB-CEWLAPEOSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172429914 1131724860 /nfs/dbraw/zinc/72/48/60/1131724860.db2.gz DSONBEYGCHUNQB-CEWLAPEOSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172429914 1131724868 /nfs/dbraw/zinc/72/48/68/1131724868.db2.gz DSONBEYGCHUNQB-CEWLAPEOSA-N 2 1 330.516 3.646 20 0 EHADMP CC(C)OCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172432562 1131726128 /nfs/dbraw/zinc/72/61/28/1131726128.db2.gz ALTLECBNYCCUCJ-WJMWBRGCSA-N 2 1 330.516 3.975 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172826931 1131853047 /nfs/dbraw/zinc/85/30/47/1131853047.db2.gz YDJJWKCPUFNNEN-NFBKMPQASA-N 2 1 334.507 3.964 20 0 EHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172944380 1131915615 /nfs/dbraw/zinc/91/56/15/1131915615.db2.gz UGWAUOJJKCSSAL-INIZCTEOSA-N 2 1 341.540 3.615 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001173084983 1131962172 /nfs/dbraw/zinc/96/21/72/1131962172.db2.gz FVKNLHJFEJGSRU-UKRRQHHQSA-N 2 1 330.394 3.590 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncsc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001173126274 1131974800 /nfs/dbraw/zinc/97/48/00/1131974800.db2.gz MUQMIZAYERJUEV-BPQIPLTHSA-N 2 1 341.524 3.643 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncsc3C2)CC[N@H+]1Cc1ccccc1 ZINC001173126274 1131974805 /nfs/dbraw/zinc/97/48/05/1131974805.db2.gz MUQMIZAYERJUEV-BPQIPLTHSA-N 2 1 341.524 3.643 20 0 EHADMP CCc1ccc(C[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])cc1 ZINC001173237227 1132025888 /nfs/dbraw/zinc/02/58/88/1132025888.db2.gz AALGQPDHMFOXQE-QGZVFWFLSA-N 3 1 333.564 3.655 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001173283132 1132043515 /nfs/dbraw/zinc/04/35/15/1132043515.db2.gz SPZPEZATKRDPGL-MSOLQXFVSA-N 2 1 348.556 3.994 20 0 EHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632409 1132109940 /nfs/dbraw/zinc/10/99/40/1132109940.db2.gz LZTYPPOKLINFRB-PSBWJHGTSA-N 2 1 336.520 3.623 20 0 EHADMP CCC[N@@H+](CCC[NH3+])C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173781822 1132146236 /nfs/dbraw/zinc/14/62/36/1132146236.db2.gz SZKUQHIDKKXOMO-UHFFFAOYSA-N 2 1 332.488 3.699 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+]CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001173783505 1132147395 /nfs/dbraw/zinc/14/73/95/1132147395.db2.gz ALGZFQRUQGGIRD-UUKMXZOPSA-N 2 1 344.499 3.712 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCOc4ccccc43)C2)cc1 ZINC000385723675 1132503517 /nfs/dbraw/zinc/50/35/17/1132503517.db2.gz JNAUVNSOCCKFGU-PMACEKPBSA-N 2 1 336.479 3.664 20 0 EHADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798002454 1132550534 /nfs/dbraw/zinc/55/05/34/1132550534.db2.gz HXWWVEMOFJURCR-BRSBDYLESA-N 2 1 340.602 3.753 20 0 EHADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002454 1132550540 /nfs/dbraw/zinc/55/05/40/1132550540.db2.gz HXWWVEMOFJURCR-BRSBDYLESA-N 2 1 340.602 3.753 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766536169 1132600548 /nfs/dbraw/zinc/60/05/48/1132600548.db2.gz ILFVUVBSSALMLK-OXJNMPFZSA-N 2 1 341.499 3.867 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766536169 1132600552 /nfs/dbraw/zinc/60/05/52/1132600552.db2.gz ILFVUVBSSALMLK-OXJNMPFZSA-N 2 1 341.499 3.867 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101240 1132655448 /nfs/dbraw/zinc/65/54/48/1132655448.db2.gz PSIXHDWWSGSBNW-IYWMVGAKSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146121 1132675322 /nfs/dbraw/zinc/67/53/22/1132675322.db2.gz OVXLWMBRZNDFOW-FAJBIJEISA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146121 1132675329 /nfs/dbraw/zinc/67/53/29/1132675329.db2.gz OVXLWMBRZNDFOW-FAJBIJEISA-N 2 1 334.891 3.808 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C2 ZINC001169146121 1132675336 /nfs/dbraw/zinc/67/53/36/1132675336.db2.gz OVXLWMBRZNDFOW-FAJBIJEISA-N 2 1 334.891 3.808 20 0 EHADMP CC1(C)C[C@@H](Nc2cc(N)cc(C(F)(F)F)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169143751 1132675640 /nfs/dbraw/zinc/67/56/40/1132675640.db2.gz QOEGZQSUHQEDCB-IAQYHMDHSA-N 2 1 330.398 3.638 20 0 EHADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)C ZINC001175492662 1132682575 /nfs/dbraw/zinc/68/25/75/1132682575.db2.gz ONNQIWUKHIMPFE-UHFFFAOYSA-N 2 1 331.504 3.589 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001169258189 1132711289 /nfs/dbraw/zinc/71/12/89/1132711289.db2.gz FMMXNVJKYBGUAF-HNNXBMFYSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001169258189 1132711291 /nfs/dbraw/zinc/71/12/91/1132711291.db2.gz FMMXNVJKYBGUAF-HNNXBMFYSA-N 2 1 326.406 3.979 20 0 EHADMP CC[NH+]1CCN(c2ccc(Nc3cccn4c(C)c(C)[nH+]c34)cc2)CC1 ZINC001175780723 1132763996 /nfs/dbraw/zinc/76/39/96/1132763996.db2.gz AFOVPQCWEIYAAV-UHFFFAOYSA-N 2 1 349.482 3.837 20 0 EHADMP CCCC1CCC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC001177266157 1133050743 /nfs/dbraw/zinc/05/07/43/1133050743.db2.gz BIGYWPBVIKXADL-UHFFFAOYSA-N 2 1 343.559 3.883 20 0 EHADMP CC(C)C[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169986970 1133102363 /nfs/dbraw/zinc/10/23/63/1133102363.db2.gz DMRYLZABAOATHM-WKILWMFISA-N 2 1 325.541 3.625 20 0 EHADMP COc1cccc2cc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)oc21 ZINC000768926706 1133205239 /nfs/dbraw/zinc/20/52/39/1133205239.db2.gz MDGCSVHCNWPCAD-UHFFFAOYSA-N 2 1 330.472 3.994 20 0 EHADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+](CC)C2CCCCC2)cn1 ZINC001179092024 1133227549 /nfs/dbraw/zinc/22/75/49/1133227549.db2.gz ZSIKCQYHDFICJB-UHFFFAOYSA-N 2 1 332.536 3.672 20 0 EHADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+](CC)C2CCCCC2)cn1 ZINC001179092024 1133227555 /nfs/dbraw/zinc/22/75/55/1133227555.db2.gz ZSIKCQYHDFICJB-UHFFFAOYSA-N 2 1 332.536 3.672 20 0 EHADMP COc1ccsc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001179338934 1133246174 /nfs/dbraw/zinc/24/61/74/1133246174.db2.gz OYPDFRURWALONQ-NVXWUHKLSA-N 2 1 330.497 3.614 20 0 EHADMP COc1ccsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001179338934 1133246179 /nfs/dbraw/zinc/24/61/79/1133246179.db2.gz OYPDFRURWALONQ-NVXWUHKLSA-N 2 1 330.497 3.614 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sc2nc(C)nc(C)c12 ZINC000769472154 1133297641 /nfs/dbraw/zinc/29/76/41/1133297641.db2.gz FIYGWLXTFPLZKX-INIZCTEOSA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sc2nc(C)nc(C)c12 ZINC000769472154 1133297645 /nfs/dbraw/zinc/29/76/45/1133297645.db2.gz FIYGWLXTFPLZKX-INIZCTEOSA-N 2 1 344.528 3.534 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000769516985 1133306852 /nfs/dbraw/zinc/30/68/52/1133306852.db2.gz XQOHOBFGISGUON-CQSZACIVSA-N 2 1 344.471 3.899 20 0 EHADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1Br ZINC001179997463 1133311249 /nfs/dbraw/zinc/31/12/49/1133311249.db2.gz NHUSTJUPYSWLHA-OAHLLOKOSA-N 2 1 339.321 3.840 20 0 EHADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1Br ZINC001179997463 1133311253 /nfs/dbraw/zinc/31/12/53/1133311253.db2.gz NHUSTJUPYSWLHA-OAHLLOKOSA-N 2 1 339.321 3.840 20 0 EHADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1Br ZINC001179997463 1133311257 /nfs/dbraw/zinc/31/12/57/1133311257.db2.gz NHUSTJUPYSWLHA-OAHLLOKOSA-N 2 1 339.321 3.840 20 0 EHADMP C[C@@H]1CC[C@@H](NCC[NH+]2CCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC001182310332 1133626606 /nfs/dbraw/zinc/62/66/06/1133626606.db2.gz XNZXMNSCAGXRQL-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[C@@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001182310332 1133626608 /nfs/dbraw/zinc/62/66/08/1133626608.db2.gz XNZXMNSCAGXRQL-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[C@@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310332 1133626612 /nfs/dbraw/zinc/62/66/12/1133626612.db2.gz XNZXMNSCAGXRQL-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[C@@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1Cc1ccccc1 ZINC001182310332 1133626613 /nfs/dbraw/zinc/62/66/13/1133626613.db2.gz XNZXMNSCAGXRQL-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000774264455 1133649413 /nfs/dbraw/zinc/64/94/13/1133649413.db2.gz DHTLDPLRRDGKGV-FDKRGKGCSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000774264455 1133649416 /nfs/dbraw/zinc/64/94/16/1133649416.db2.gz DHTLDPLRRDGKGV-FDKRGKGCSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000774264455 1133649419 /nfs/dbraw/zinc/64/94/19/1133649419.db2.gz DHTLDPLRRDGKGV-FDKRGKGCSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@@H+]1Cc1ccccc1 ZINC000774264455 1133649421 /nfs/dbraw/zinc/64/94/21/1133649421.db2.gz DHTLDPLRRDGKGV-FDKRGKGCSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@H+]1Cc1ccccc1 ZINC000774264455 1133649423 /nfs/dbraw/zinc/64/94/23/1133649423.db2.gz DHTLDPLRRDGKGV-FDKRGKGCSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001183095263 1133768641 /nfs/dbraw/zinc/76/86/41/1133768641.db2.gz NVJMBSWSGNUPDS-GBESFXJTSA-N 2 1 334.548 3.824 20 0 EHADMP CC(C)[C@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC001183362958 1133795295 /nfs/dbraw/zinc/79/52/95/1133795295.db2.gz PIQHEBPRSHONKY-HXUWFJFHSA-N 2 1 345.531 3.976 20 0 EHADMP COc1ccc(SCC[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC001183511113 1133821047 /nfs/dbraw/zinc/82/10/47/1133821047.db2.gz JPYVBEWTELPDAC-UHFFFAOYSA-N 2 1 336.545 3.985 20 0 EHADMP C[C@@H]1COCC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001183930999 1133874390 /nfs/dbraw/zinc/87/43/90/1133874390.db2.gz YUWLRVIGDGOXKF-SIKLNZKXSA-N 2 1 344.543 3.893 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184387975 1133933906 /nfs/dbraw/zinc/93/39/06/1133933906.db2.gz ODICGIKABZTESN-JJAZEVLHSA-N 2 1 326.406 3.566 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000788815431 1134183884 /nfs/dbraw/zinc/18/38/84/1134183884.db2.gz OEKBXSYVPRAXOS-LAUBAEHRSA-N 2 1 339.483 3.653 20 0 EHADMP C[N@@H+](CCC(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000791131311 1134513267 /nfs/dbraw/zinc/51/32/67/1134513267.db2.gz FAOJJLKMTXJRSE-UHFFFAOYSA-N 2 1 349.563 3.554 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC(C)(C)[NH+](C)C)ccc1OC ZINC000775360915 1134664461 /nfs/dbraw/zinc/66/44/61/1134664461.db2.gz BIYKRSWXFBBASX-INIZCTEOSA-N 2 1 335.536 3.528 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)cn1 ZINC000775377268 1134691569 /nfs/dbraw/zinc/69/15/69/1134691569.db2.gz WNURMVDBVHNCFZ-BTYIYWSLSA-N 2 1 332.451 3.989 20 0 EHADMP C[C@H](Cc1ccccc1Cl)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001170261841 1134726665 /nfs/dbraw/zinc/72/66/65/1134726665.db2.gz SBOVBYNPSVIEBX-OAHLLOKOSA-N 3 1 339.955 3.746 20 0 EHADMP c1cc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2[nH]1 ZINC001170330031 1134749475 /nfs/dbraw/zinc/74/94/75/1134749475.db2.gz FSTVKEQMYNKSRC-NNZMDNLPSA-N 2 1 333.439 3.517 20 0 EHADMP c1cc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2[nH]1 ZINC001170330031 1134749479 /nfs/dbraw/zinc/74/94/79/1134749479.db2.gz FSTVKEQMYNKSRC-NNZMDNLPSA-N 2 1 333.439 3.517 20 0 EHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001191134501 1134809409 /nfs/dbraw/zinc/80/94/09/1134809409.db2.gz YUPJPJAYONPDRE-WIYYLYMNSA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134501 1134809416 /nfs/dbraw/zinc/80/94/16/1134809416.db2.gz YUPJPJAYONPDRE-WIYYLYMNSA-N 2 1 330.516 3.919 20 0 EHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191134501 1134809423 /nfs/dbraw/zinc/80/94/23/1134809423.db2.gz YUPJPJAYONPDRE-WIYYLYMNSA-N 2 1 330.516 3.919 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445280 1134868903 /nfs/dbraw/zinc/86/89/03/1134868903.db2.gz SIRIGODJWFUQMT-WOJBJXKFSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445280 1134868909 /nfs/dbraw/zinc/86/89/09/1134868909.db2.gz SIRIGODJWFUQMT-WOJBJXKFSA-N 2 1 334.548 3.922 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC001191445280 1134868916 /nfs/dbraw/zinc/86/89/16/1134868916.db2.gz SIRIGODJWFUQMT-WOJBJXKFSA-N 2 1 334.548 3.922 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC001205616223 1135071619 /nfs/dbraw/zinc/07/16/19/1135071619.db2.gz DPOCAVGEVSXNDV-NEPJUHHUSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)cc1Br ZINC001205627186 1135120633 /nfs/dbraw/zinc/12/06/33/1135120633.db2.gz NRTXWEOPRVUCDD-DGCLKSJQSA-N 2 1 343.284 3.703 20 0 EHADMP CC(C)Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000806182349 1135407316 /nfs/dbraw/zinc/40/73/16/1135407316.db2.gz TYNJIYHCVIZKKL-LQCXBHPOSA-N 2 1 343.559 3.703 20 0 EHADMP CC(C)Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000806182349 1135407320 /nfs/dbraw/zinc/40/73/20/1135407320.db2.gz TYNJIYHCVIZKKL-LQCXBHPOSA-N 2 1 343.559 3.703 20 0 EHADMP CC(C)Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000806182349 1135407325 /nfs/dbraw/zinc/40/73/25/1135407325.db2.gz TYNJIYHCVIZKKL-LQCXBHPOSA-N 2 1 343.559 3.703 20 0 EHADMP Cc1cccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC001170573768 1135805036 /nfs/dbraw/zinc/80/50/36/1135805036.db2.gz UEHRAHDPICTMEX-UHFFFAOYSA-N 2 1 338.495 3.768 20 0 EHADMP Cc1cccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC001170573768 1135805041 /nfs/dbraw/zinc/80/50/41/1135805041.db2.gz UEHRAHDPICTMEX-UHFFFAOYSA-N 2 1 338.495 3.768 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001198968445 1135870297 /nfs/dbraw/zinc/87/02/97/1135870297.db2.gz IKFMYQBZQFANJE-CEXWTWQISA-N 2 1 349.588 3.985 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(Br)cn2)cc1 ZINC000809738159 1135882954 /nfs/dbraw/zinc/88/29/54/1135882954.db2.gz RPXOEIIRCXQEII-UHFFFAOYSA-N 2 1 348.288 3.538 20 0 EHADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737973 1135883183 /nfs/dbraw/zinc/88/31/83/1135883183.db2.gz NZIUDXNZVWXUEU-UHFFFAOYSA-N 2 1 342.531 3.949 20 0 EHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000810180583 1135935175 /nfs/dbraw/zinc/93/51/75/1135935175.db2.gz CFCZFVGPDVCRRN-GTPINHCMSA-N 2 1 341.540 3.532 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000810180583 1135935176 /nfs/dbraw/zinc/93/51/76/1135935176.db2.gz CFCZFVGPDVCRRN-GTPINHCMSA-N 2 1 341.540 3.532 20 0 EHADMP CC(=O)Nc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001201474250 1136032370 /nfs/dbraw/zinc/03/23/70/1136032370.db2.gz CSHATIFGQLBXJN-UXHICEINSA-N 2 1 348.450 3.773 20 0 EHADMP CC(=O)Nc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001201474250 1136032374 /nfs/dbraw/zinc/03/23/74/1136032374.db2.gz CSHATIFGQLBXJN-UXHICEINSA-N 2 1 348.450 3.773 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201558258 1136039769 /nfs/dbraw/zinc/03/97/69/1136039769.db2.gz AHXQKGMMGJAIAV-TYPHKJRUSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201558258 1136039773 /nfs/dbraw/zinc/03/97/73/1136039773.db2.gz AHXQKGMMGJAIAV-TYPHKJRUSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201558258 1136039776 /nfs/dbraw/zinc/03/97/76/1136039776.db2.gz AHXQKGMMGJAIAV-TYPHKJRUSA-N 2 1 336.564 3.883 20 0 EHADMP CCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201731924 1136061732 /nfs/dbraw/zinc/06/17/32/1136061732.db2.gz YIJPBMPHOCNHAI-KRWDZBQOSA-N 2 1 336.545 3.994 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCOC1 ZINC000813881652 1136372004 /nfs/dbraw/zinc/37/20/04/1136372004.db2.gz RKKWOUNRAUSCSN-PAMCTJKJSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000813881855 1136372161 /nfs/dbraw/zinc/37/21/61/1136372161.db2.gz WLARBZXTQVEBBY-CBANROCLSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881855 1136372165 /nfs/dbraw/zinc/37/21/65/1136372165.db2.gz WLARBZXTQVEBBY-CBANROCLSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881855 1136372169 /nfs/dbraw/zinc/37/21/69/1136372169.db2.gz WLARBZXTQVEBBY-CBANROCLSA-N 2 1 341.543 3.644 20 0 EHADMP OCCCCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814639907 1136487854 /nfs/dbraw/zinc/48/78/54/1136487854.db2.gz JWVQCXAKLPNJPA-UHFFFAOYSA-N 2 1 344.543 3.917 20 0 EHADMP C[C@H]1[C@@H](OC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468820 1136719964 /nfs/dbraw/zinc/71/99/64/1136719964.db2.gz NJUBEIZDQTWOFX-JXFKEZNVSA-N 2 1 349.434 3.544 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816519315 1136730042 /nfs/dbraw/zinc/73/00/42/1136730042.db2.gz GHZJKXIRAMVKGD-OAHLLOKOSA-N 2 1 338.927 3.550 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816519315 1136730044 /nfs/dbraw/zinc/73/00/44/1136730044.db2.gz GHZJKXIRAMVKGD-OAHLLOKOSA-N 2 1 338.927 3.550 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000816643266 1136743629 /nfs/dbraw/zinc/74/36/29/1136743629.db2.gz ZRDAYZAMWTULIZ-NRFANRHFSA-N 2 1 327.516 3.595 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000816643266 1136743631 /nfs/dbraw/zinc/74/36/31/1136743631.db2.gz ZRDAYZAMWTULIZ-NRFANRHFSA-N 2 1 327.516 3.595 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC000816643266 1136743633 /nfs/dbraw/zinc/74/36/33/1136743633.db2.gz ZRDAYZAMWTULIZ-NRFANRHFSA-N 2 1 327.516 3.595 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(C)(C)C3CC3)C2)ccn1 ZINC000856583956 1136797678 /nfs/dbraw/zinc/79/76/78/1136797678.db2.gz VFZKQXADBKHWCI-FQEVSTJZSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(C)(C)C3CC3)C2)ccn1 ZINC000856583956 1136797681 /nfs/dbraw/zinc/79/76/81/1136797681.db2.gz VFZKQXADBKHWCI-FQEVSTJZSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(C)(C)C3CC3)C2)ccn1 ZINC000856583956 1136797684 /nfs/dbraw/zinc/79/76/84/1136797684.db2.gz VFZKQXADBKHWCI-FQEVSTJZSA-N 2 1 345.531 3.813 20 0 EHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856777154 1136810131 /nfs/dbraw/zinc/81/01/31/1136810131.db2.gz QQPDNQQTCYMKHJ-SNVBAGLBSA-N 2 1 346.784 3.771 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2nc(Br)cs2)cc1 ZINC000817964201 1136852042 /nfs/dbraw/zinc/85/20/42/1136852042.db2.gz ZIOMIQFGVHZCJO-UWVGGRQHSA-N 2 1 340.290 3.776 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817969313 1136853640 /nfs/dbraw/zinc/85/36/40/1136853640.db2.gz UMIRRZVGCZBLIM-ZEXAPNKDSA-N 2 1 330.516 3.528 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccnc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000858152848 1136944411 /nfs/dbraw/zinc/94/44/11/1136944411.db2.gz BNKJDDZIULWMOD-LPHOPBHVSA-N 2 1 327.447 3.611 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000858490502 1136972493 /nfs/dbraw/zinc/97/24/93/1136972493.db2.gz IXSQMDCKDDADJL-AEFFLSMTSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000858490502 1136972494 /nfs/dbraw/zinc/97/24/94/1136972494.db2.gz IXSQMDCKDDADJL-AEFFLSMTSA-N 2 1 326.488 3.563 20 0 EHADMP CCc1ccc(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)nc1 ZINC000339012696 1136985011 /nfs/dbraw/zinc/98/50/11/1136985011.db2.gz VDXLNIBEOQFZHU-UHFFFAOYSA-N 2 1 338.499 3.778 20 0 EHADMP COC1(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012911 1136986943 /nfs/dbraw/zinc/98/69/43/1136986943.db2.gz JSVJINKIVHKFRO-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012911 1136986945 /nfs/dbraw/zinc/98/69/45/1136986945.db2.gz JSVJINKIVHKFRO-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012911 1136986949 /nfs/dbraw/zinc/98/69/49/1136986949.db2.gz JSVJINKIVHKFRO-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000339012911 1136986951 /nfs/dbraw/zinc/98/69/51/1136986951.db2.gz JSVJINKIVHKFRO-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP CC[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997710 1137040237 /nfs/dbraw/zinc/04/02/37/1137040237.db2.gz PWQBUZGBXNNKPP-NRFANRHFSA-N 2 1 326.484 3.694 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@@H+]1C ZINC000266025267 1137097487 /nfs/dbraw/zinc/09/74/87/1137097487.db2.gz YEZCNZWPUZPJTF-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@H+]1C ZINC000266025267 1137097489 /nfs/dbraw/zinc/09/74/89/1137097489.db2.gz YEZCNZWPUZPJTF-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025267 1137097491 /nfs/dbraw/zinc/09/74/91/1137097491.db2.gz YEZCNZWPUZPJTF-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025267 1137097493 /nfs/dbraw/zinc/09/74/93/1137097493.db2.gz YEZCNZWPUZPJTF-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP Fc1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccnc1Cl ZINC000823602452 1137106226 /nfs/dbraw/zinc/10/62/26/1137106226.db2.gz NDHJTAQPYWGXFI-UHFFFAOYSA-N 2 1 333.838 3.760 20 0 EHADMP Cc1nc(C)c(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000862261587 1137136167 /nfs/dbraw/zinc/13/61/67/1137136167.db2.gz AKWUEHUMZRZCQW-UHFFFAOYSA-N 2 1 342.487 3.682 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000863544910 1137191514 /nfs/dbraw/zinc/19/15/14/1137191514.db2.gz DIUCMECGBGBBFQ-QGZBPCDMSA-N 2 1 330.516 3.670 20 0 EHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143879804 1137209004 /nfs/dbraw/zinc/20/90/04/1137209004.db2.gz WYHWLBXLJQKDFH-UHFFFAOYSA-N 2 1 348.409 3.758 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844377152 1137217668 /nfs/dbraw/zinc/21/76/68/1137217668.db2.gz WAOKWTWLGSLFPE-LJQANCHMSA-N 2 1 347.890 3.609 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844377152 1137217669 /nfs/dbraw/zinc/21/76/69/1137217669.db2.gz WAOKWTWLGSLFPE-LJQANCHMSA-N 2 1 347.890 3.609 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844377152 1137217671 /nfs/dbraw/zinc/21/76/71/1137217671.db2.gz WAOKWTWLGSLFPE-LJQANCHMSA-N 2 1 347.890 3.609 20 0 EHADMP FC1(F)C[C@]12CCC[NH+](C/C=C/C[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442383 1137223903 /nfs/dbraw/zinc/22/39/03/1137223903.db2.gz XVTALFXRULUNRL-POHSLCEDSA-N 2 1 346.412 3.785 20 0 EHADMP Cc1c(O)cccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122023 1137241272 /nfs/dbraw/zinc/24/12/72/1137241272.db2.gz SMKGZOJACJMJQP-SFTDATJTSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122023 1137241274 /nfs/dbraw/zinc/24/12/74/1137241274.db2.gz SMKGZOJACJMJQP-SFTDATJTSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122023 1137241275 /nfs/dbraw/zinc/24/12/75/1137241275.db2.gz SMKGZOJACJMJQP-SFTDATJTSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122023 1137241277 /nfs/dbraw/zinc/24/12/77/1137241277.db2.gz SMKGZOJACJMJQP-SFTDATJTSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001144122023 1137241279 /nfs/dbraw/zinc/24/12/79/1137241279.db2.gz SMKGZOJACJMJQP-SFTDATJTSA-N 2 1 336.479 3.655 20 0 EHADMP CCc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001144318928 1137273693 /nfs/dbraw/zinc/27/36/93/1137273693.db2.gz PGYIIAMXZQATIU-NRFANRHFSA-N 2 1 330.516 3.572 20 0 EHADMP CCc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001144318928 1137273695 /nfs/dbraw/zinc/27/36/95/1137273695.db2.gz PGYIIAMXZQATIU-NRFANRHFSA-N 2 1 330.516 3.572 20 0 EHADMP CCc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001144318928 1137273697 /nfs/dbraw/zinc/27/36/97/1137273697.db2.gz PGYIIAMXZQATIU-NRFANRHFSA-N 2 1 330.516 3.572 20 0 EHADMP CCc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001144318928 1137273699 /nfs/dbraw/zinc/27/36/99/1137273699.db2.gz PGYIIAMXZQATIU-NRFANRHFSA-N 2 1 330.516 3.572 20 0 EHADMP Cc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000865523804 1137291345 /nfs/dbraw/zinc/29/13/45/1137291345.db2.gz FPTAZOQCDCOAOL-LJQANCHMSA-N 2 1 344.886 3.505 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000865627715 1137300000 /nfs/dbraw/zinc/30/00/00/1137300000.db2.gz IZFMTCIYXJWWSG-IUODEOHRSA-N 2 1 325.378 3.554 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000865758898 1137309328 /nfs/dbraw/zinc/30/93/28/1137309328.db2.gz FCFNDEKDBZKJOP-XYEHWOGUSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000865758898 1137309329 /nfs/dbraw/zinc/30/93/29/1137309329.db2.gz FCFNDEKDBZKJOP-XYEHWOGUSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@]1(C[NH2+]Cc2cc3cnccc3o2)CC[N@H+](Cc2ccccc2)C1 ZINC000845967961 1137321929 /nfs/dbraw/zinc/32/19/29/1137321929.db2.gz FQKCSHBAMPAEIM-OAQYLSRUSA-N 2 1 335.451 3.830 20 0 EHADMP C[C@]1(C[NH2+]Cc2cc3cnccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000845967961 1137321931 /nfs/dbraw/zinc/32/19/31/1137321931.db2.gz FQKCSHBAMPAEIM-OAQYLSRUSA-N 2 1 335.451 3.830 20 0 EHADMP CC[N@@H+](CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000846024177 1137326834 /nfs/dbraw/zinc/32/68/34/1137326834.db2.gz ZQPJAMACAZDIAL-GOEBONIOSA-N 2 1 336.442 3.731 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@](C)(O)c1ccccc1 ZINC000846036104 1137328581 /nfs/dbraw/zinc/32/85/81/1137328581.db2.gz IYDXYVVCDDKUFD-XMSQKQJNSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866260308 1137340403 /nfs/dbraw/zinc/34/04/03/1137340403.db2.gz UFOIJFWEVCHMNC-IAGOWNOFSA-N 2 1 336.483 3.987 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866337108 1137347013 /nfs/dbraw/zinc/34/70/13/1137347013.db2.gz ORJGCSAZKHJSQI-WOIUINJBSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000866353137 1137348700 /nfs/dbraw/zinc/34/87/00/1137348700.db2.gz PBFPHLPTCAKKRR-SIKLNZKXSA-N 2 1 337.511 3.905 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537427 1137362583 /nfs/dbraw/zinc/36/25/83/1137362583.db2.gz OIGCLYNNOHGDRV-MNAPGUCWSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537427 1137362584 /nfs/dbraw/zinc/36/25/84/1137362584.db2.gz OIGCLYNNOHGDRV-MNAPGUCWSA-N 2 1 342.527 3.549 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000866705409 1137374566 /nfs/dbraw/zinc/37/45/66/1137374566.db2.gz ZIIWXMFJDMBAGL-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000866705409 1137374567 /nfs/dbraw/zinc/37/45/67/1137374567.db2.gz ZIIWXMFJDMBAGL-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000866705795 1137375066 /nfs/dbraw/zinc/37/50/66/1137375066.db2.gz BKGLXKLHXRSATR-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000866705795 1137375068 /nfs/dbraw/zinc/37/50/68/1137375068.db2.gz BKGLXKLHXRSATR-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121714328 1137382635 /nfs/dbraw/zinc/38/26/35/1137382635.db2.gz DLAPAYULIRKGFT-FQEVSTJZSA-N 2 1 343.559 3.548 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348096481 1137440008 /nfs/dbraw/zinc/44/00/08/1137440008.db2.gz MHYCLWYLDRXJSG-XLIONFOSSA-N 2 1 348.494 3.606 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000716619393 1137487608 /nfs/dbraw/zinc/48/76/08/1137487608.db2.gz CTMUZJGJDNRXSQ-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619393 1137487609 /nfs/dbraw/zinc/48/76/09/1137487609.db2.gz CTMUZJGJDNRXSQ-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619393 1137487610 /nfs/dbraw/zinc/48/76/10/1137487610.db2.gz CTMUZJGJDNRXSQ-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619393 1137487611 /nfs/dbraw/zinc/48/76/11/1137487611.db2.gz CTMUZJGJDNRXSQ-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619393 1137487612 /nfs/dbraw/zinc/48/76/12/1137487612.db2.gz CTMUZJGJDNRXSQ-WOZUAGRISA-N 2 1 341.543 3.502 20 0 EHADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716635331 1137487949 /nfs/dbraw/zinc/48/79/49/1137487949.db2.gz FHQMEITZNRZDQH-VYJAJWGXSA-N 2 1 330.541 3.913 20 0 EHADMP Cc1csc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716703006 1137488551 /nfs/dbraw/zinc/48/85/51/1137488551.db2.gz WCRBUWJERMNQAI-FHWLQOOXSA-N 2 1 341.524 3.637 20 0 EHADMP Fc1cc2c(cc1F)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC001171467169 1137492298 /nfs/dbraw/zinc/49/22/98/1137492298.db2.gz QFIKHOXTLNKSCW-MSOLQXFVSA-N 2 1 334.454 3.676 20 0 EHADMP Fc1cc2c(cc1F)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC001171467169 1137492300 /nfs/dbraw/zinc/49/23/00/1137492300.db2.gz QFIKHOXTLNKSCW-MSOLQXFVSA-N 2 1 334.454 3.676 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137053968 1137499226 /nfs/dbraw/zinc/49/92/26/1137499226.db2.gz LKVRDGFBVYZZPT-UHFFFAOYSA-N 2 1 338.430 3.749 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](NC3CC(C)(C)[NH+](C)C(C)(C)C3)C2)cc1 ZINC001171627190 1137501630 /nfs/dbraw/zinc/50/16/30/1137501630.db2.gz NCBCMMIBPPISNT-IBGZPJMESA-N 2 1 343.559 3.810 20 0 EHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)cc1 ZINC001171627190 1137501632 /nfs/dbraw/zinc/50/16/32/1137501632.db2.gz NCBCMMIBPPISNT-IBGZPJMESA-N 2 1 343.559 3.810 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641892 1137504513 /nfs/dbraw/zinc/50/45/13/1137504513.db2.gz UYKPSABHGFPWMS-GOSISDBHSA-N 2 1 334.479 3.930 20 0 EHADMP C[C@H]1C[C@H](N2C(C)(C)CC([NH3+])CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001171725436 1137506544 /nfs/dbraw/zinc/50/65/44/1137506544.db2.gz LXKOCEIEJUSKHZ-LPHOPBHVSA-N 2 1 329.532 3.630 20 0 EHADMP COc1ccc2c(C[NH3+])cn([C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001171732966 1137507030 /nfs/dbraw/zinc/50/70/30/1137507030.db2.gz NHTOQBNNRMPBKJ-LPHOPBHVSA-N 2 1 349.478 3.944 20 0 EHADMP CCCC[NH+]1CCC(N(C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171768239 1137509286 /nfs/dbraw/zinc/50/92/86/1137509286.db2.gz SVPRUMNZENCMRB-DENIHFKCSA-N 2 1 343.559 3.846 20 0 EHADMP C[C@H]1C[C@@H](N2CCC(C)([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171768838 1137509740 /nfs/dbraw/zinc/50/97/40/1137509740.db2.gz XHHJHJWMVAKEIN-PZJWPPBQSA-N 2 1 341.543 3.600 20 0 EHADMP Fc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171773951 1137509819 /nfs/dbraw/zinc/50/98/19/1137509819.db2.gz RVLXMJNWOHCWGC-AZUAARDMSA-N 2 1 338.470 3.795 20 0 EHADMP C[C@@H]1C[C@@H](n2c(-c3ccccc3)cnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171739361 1137510815 /nfs/dbraw/zinc/51/08/15/1137510815.db2.gz CBOKRAGBVCXQFQ-YLJYHZDGSA-N 2 1 346.478 3.844 20 0 EHADMP CC(C)C[N@@H+]([C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171742542 1137511580 /nfs/dbraw/zinc/51/15/80/1137511580.db2.gz WHVPWHDRYAJDSG-ZHHKINOHSA-N 2 1 343.559 3.877 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962412 1137519689 /nfs/dbraw/zinc/51/96/89/1137519689.db2.gz CTCMSFANUMLUFZ-OAQYLSRUSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962412 1137519691 /nfs/dbraw/zinc/51/96/91/1137519691.db2.gz CTCMSFANUMLUFZ-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171963643 1137520024 /nfs/dbraw/zinc/52/00/24/1137520024.db2.gz IJQFVBWTWBZGJS-HXUWFJFHSA-N 2 1 340.515 3.533 20 0 EHADMP CC1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171965833 1137520373 /nfs/dbraw/zinc/52/03/73/1137520373.db2.gz RTTNMVYLOKNZLA-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171967232 1137520895 /nfs/dbraw/zinc/52/08/95/1137520895.db2.gz YJDDRDVDSMRCAO-SFTDATJTSA-N 2 1 338.495 3.753 20 0 EHADMP CO[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989851 1137522426 /nfs/dbraw/zinc/52/24/26/1137522426.db2.gz HWZVVYGZCAQEIH-YSIASYRMSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989851 1137522427 /nfs/dbraw/zinc/52/24/27/1137522427.db2.gz HWZVVYGZCAQEIH-YSIASYRMSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989851 1137522428 /nfs/dbraw/zinc/52/24/28/1137522428.db2.gz HWZVVYGZCAQEIH-YSIASYRMSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC001171989851 1137522429 /nfs/dbraw/zinc/52/24/29/1137522429.db2.gz HWZVVYGZCAQEIH-YSIASYRMSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989852 1137522618 /nfs/dbraw/zinc/52/26/18/1137522618.db2.gz HWZVVYGZCAQEIH-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989852 1137522619 /nfs/dbraw/zinc/52/26/19/1137522619.db2.gz HWZVVYGZCAQEIH-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989852 1137522620 /nfs/dbraw/zinc/52/26/20/1137522620.db2.gz HWZVVYGZCAQEIH-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989852 1137522621 /nfs/dbraw/zinc/52/26/21/1137522621.db2.gz HWZVVYGZCAQEIH-YZGWKJHDSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171978702 1137525930 /nfs/dbraw/zinc/52/59/30/1137525930.db2.gz BCWCYNDQUZGPLN-NRFANRHFSA-N 2 1 343.559 3.703 20 0 EHADMP OCC[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172073724 1137529650 /nfs/dbraw/zinc/52/96/50/1137529650.db2.gz BXEBZVVNFHKBIB-FNAHDJPLSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172073724 1137529651 /nfs/dbraw/zinc/52/96/51/1137529651.db2.gz BXEBZVVNFHKBIB-FNAHDJPLSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172073724 1137529653 /nfs/dbraw/zinc/52/96/53/1137529653.db2.gz BXEBZVVNFHKBIB-FNAHDJPLSA-N 2 1 342.527 3.667 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CC24CCOCC4)C3)cc1 ZINC001172073450 1137530057 /nfs/dbraw/zinc/53/00/57/1137530057.db2.gz RLLHOKHHXQFCQF-BURNTYAHSA-N 2 1 340.511 3.731 20 0 EHADMP OCC[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172073726 1137530204 /nfs/dbraw/zinc/53/02/04/1137530204.db2.gz BXEBZVVNFHKBIB-KJJMTIBFSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172073726 1137530205 /nfs/dbraw/zinc/53/02/05/1137530205.db2.gz BXEBZVVNFHKBIB-KJJMTIBFSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172073726 1137530206 /nfs/dbraw/zinc/53/02/06/1137530206.db2.gz BXEBZVVNFHKBIB-KJJMTIBFSA-N 2 1 342.527 3.667 20 0 EHADMP Fc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC001172077647 1137530879 /nfs/dbraw/zinc/53/08/79/1137530879.db2.gz UVNDHVLGFPLTOJ-ACDBMABISA-N 2 1 339.458 3.896 20 0 EHADMP Fc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC001172077647 1137530881 /nfs/dbraw/zinc/53/08/81/1137530881.db2.gz UVNDHVLGFPLTOJ-ACDBMABISA-N 2 1 339.458 3.896 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082114 1137531558 /nfs/dbraw/zinc/53/15/58/1137531558.db2.gz JMBWWRBEDOEJCS-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082114 1137531560 /nfs/dbraw/zinc/53/15/60/1137531560.db2.gz JMBWWRBEDOEJCS-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082114 1137531562 /nfs/dbraw/zinc/53/15/62/1137531562.db2.gz JMBWWRBEDOEJCS-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082114 1137531563 /nfs/dbraw/zinc/53/15/63/1137531563.db2.gz JMBWWRBEDOEJCS-AANPDWTMSA-N 2 1 340.511 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001172098424 1137532689 /nfs/dbraw/zinc/53/26/89/1137532689.db2.gz DVVJTMCTNLOKCS-LDLYASANSA-N 2 1 344.499 3.747 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001172098395 1137532711 /nfs/dbraw/zinc/53/27/11/1137532711.db2.gz CWXJXXZCBZQMEU-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001172098395 1137532712 /nfs/dbraw/zinc/53/27/12/1137532712.db2.gz CWXJXXZCBZQMEU-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001172099345 1137532725 /nfs/dbraw/zinc/53/27/25/1137532725.db2.gz JMEZCUUNCGFRQT-BTTYYORXSA-N 2 1 341.268 3.693 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1CO ZINC001172067505 1137533687 /nfs/dbraw/zinc/53/36/87/1137533687.db2.gz CPQXIHRBLROCOA-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1CO ZINC001172067505 1137533689 /nfs/dbraw/zinc/53/36/89/1137533689.db2.gz CPQXIHRBLROCOA-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1CO ZINC001172067505 1137533691 /nfs/dbraw/zinc/53/36/91/1137533691.db2.gz CPQXIHRBLROCOA-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1CO ZINC001172067505 1137533693 /nfs/dbraw/zinc/53/36/93/1137533693.db2.gz CPQXIHRBLROCOA-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP CC(C)(O)C(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067470 1137533782 /nfs/dbraw/zinc/53/37/82/1137533782.db2.gz FMKZUNDVTAXZSE-REPLKXPHSA-N 2 1 330.516 3.711 20 0 EHADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068428 1137534275 /nfs/dbraw/zinc/53/42/75/1137534275.db2.gz ICMKTMVIZSTYEJ-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068428 1137534276 /nfs/dbraw/zinc/53/42/76/1137534276.db2.gz ICMKTMVIZSTYEJ-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068428 1137534277 /nfs/dbraw/zinc/53/42/77/1137534277.db2.gz ICMKTMVIZSTYEJ-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@]1(C)O ZINC001172068428 1137534278 /nfs/dbraw/zinc/53/42/78/1137534278.db2.gz ICMKTMVIZSTYEJ-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP COC[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068792 1137534443 /nfs/dbraw/zinc/53/44/43/1137534443.db2.gz KRXPXKVZCACTCD-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068792 1137534445 /nfs/dbraw/zinc/53/44/45/1137534445.db2.gz KRXPXKVZCACTCD-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068792 1137534447 /nfs/dbraw/zinc/53/44/47/1137534447.db2.gz KRXPXKVZCACTCD-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068792 1137534448 /nfs/dbraw/zinc/53/44/48/1137534448.db2.gz KRXPXKVZCACTCD-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172130091 1137535643 /nfs/dbraw/zinc/53/56/43/1137535643.db2.gz HKLMUZIDYLBSLC-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130091 1137535645 /nfs/dbraw/zinc/53/56/45/1137535645.db2.gz HKLMUZIDYLBSLC-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130091 1137535646 /nfs/dbraw/zinc/53/56/46/1137535646.db2.gz HKLMUZIDYLBSLC-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172130091 1137535648 /nfs/dbraw/zinc/53/56/48/1137535648.db2.gz HKLMUZIDYLBSLC-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172130091 1137535650 /nfs/dbraw/zinc/53/56/50/1137535650.db2.gz HKLMUZIDYLBSLC-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129442 1137535687 /nfs/dbraw/zinc/53/56/87/1137535687.db2.gz ZSGKJXBNIJGEFC-RSPOEFSDSA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129442 1137535689 /nfs/dbraw/zinc/53/56/89/1137535689.db2.gz ZSGKJXBNIJGEFC-RSPOEFSDSA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129442 1137535690 /nfs/dbraw/zinc/53/56/90/1137535690.db2.gz ZSGKJXBNIJGEFC-RSPOEFSDSA-N 2 1 346.515 3.547 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101948 1137536351 /nfs/dbraw/zinc/53/63/51/1137536351.db2.gz IKUXZLZCGFUVTP-FJIDUMEYSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101948 1137536352 /nfs/dbraw/zinc/53/63/52/1137536352.db2.gz IKUXZLZCGFUVTP-FJIDUMEYSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCCC3)c1)C2 ZINC001172102410 1137536435 /nfs/dbraw/zinc/53/64/35/1137536435.db2.gz MOYMWVLUOXSUEO-OWZKRDHZSA-N 2 1 327.516 3.782 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3)CCOCC1)C2 ZINC001172112114 1137537620 /nfs/dbraw/zinc/53/76/20/1137537620.db2.gz RQKKRHXKIOZFPP-WKCHPHFGSA-N 2 1 342.527 3.631 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C[C@H]1C ZINC001172375806 1137549588 /nfs/dbraw/zinc/54/95/88/1137549588.db2.gz RHZHECJSXQFHKD-QWFCFKBJSA-N 2 1 346.515 3.771 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C[C@H]1C ZINC001172375806 1137549590 /nfs/dbraw/zinc/54/95/90/1137549590.db2.gz RHZHECJSXQFHKD-QWFCFKBJSA-N 2 1 346.515 3.771 20 0 EHADMP CC1(C)CO[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000872106177 1137571356 /nfs/dbraw/zinc/57/13/56/1137571356.db2.gz OJQSHRCKKANSCS-YRPNKDGESA-N 2 1 328.500 3.587 20 0 EHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCC2SCCS2)C1)C1CCCC1 ZINC000872157531 1137574221 /nfs/dbraw/zinc/57/42/21/1137574221.db2.gz PKLJNIGBLHBEEA-GDBMZVCRSA-N 2 1 328.591 3.802 20 0 EHADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000872157321 1137574345 /nfs/dbraw/zinc/57/43/45/1137574345.db2.gz KADOYSCETJZRIK-WMZOPIPTSA-N 2 1 334.529 3.565 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872259887 1137576601 /nfs/dbraw/zinc/57/66/01/1137576601.db2.gz COHGOYNWCAPNMZ-OAQYLSRUSA-N 2 1 346.515 3.551 20 0 EHADMP CCOP(=O)(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)OCC ZINC000876563062 1137655524 /nfs/dbraw/zinc/65/55/24/1137655524.db2.gz XCDYSZSZLZAKCO-UHFFFAOYSA-N 2 1 346.452 3.593 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)CC1 ZINC000876914459 1137665210 /nfs/dbraw/zinc/66/52/10/1137665210.db2.gz ZLSJPSNIQXKRQQ-UHFFFAOYSA-N 2 1 344.890 3.652 20 0 EHADMP COc1c(C)cnc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1C ZINC000876981755 1137666822 /nfs/dbraw/zinc/66/68/22/1137666822.db2.gz SCKQDCRCEGBPBF-UHFFFAOYSA-N 2 1 341.499 3.837 20 0 EHADMP CC1(O)CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877075881 1137669633 /nfs/dbraw/zinc/66/96/33/1137669633.db2.gz QZQXTWSZVURQTA-YWDUDDICSA-N 2 1 328.500 3.638 20 0 EHADMP CC1(O)CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877075881 1137669634 /nfs/dbraw/zinc/66/96/34/1137669634.db2.gz QZQXTWSZVURQTA-YWDUDDICSA-N 2 1 328.500 3.638 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)cn1 ZINC000126486146 1137675024 /nfs/dbraw/zinc/67/50/24/1137675024.db2.gz ABALTBPRMXKWHP-OAQYLSRUSA-N 2 1 346.478 3.995 20 0 EHADMP O[C@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000878252561 1137708617 /nfs/dbraw/zinc/70/86/17/1137708617.db2.gz ORLOXEANSJUISC-IUODEOHRSA-N 2 1 340.254 3.630 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)OC1 ZINC000878529448 1137718908 /nfs/dbraw/zinc/71/89/08/1137718908.db2.gz YCALDSRRZODSRW-SFHVURJKSA-N 2 1 331.504 3.604 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)CC1 ZINC000878549754 1137719834 /nfs/dbraw/zinc/71/98/34/1137719834.db2.gz PIYNAXKSCCXKBV-PMACEKPBSA-N 2 1 328.500 3.715 20 0 EHADMP COc1ccc([C@@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)cc1F ZINC000626126088 1137750464 /nfs/dbraw/zinc/75/04/64/1137750464.db2.gz GQSVXERLGGRKSB-QGZVFWFLSA-N 2 1 331.435 3.609 20 0 EHADMP COc1ccc([C@@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)cc1F ZINC000626126088 1137750465 /nfs/dbraw/zinc/75/04/65/1137750465.db2.gz GQSVXERLGGRKSB-QGZVFWFLSA-N 2 1 331.435 3.609 20 0 EHADMP Cc1cccc(NC(=O)C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1C ZINC000879702331 1137755750 /nfs/dbraw/zinc/75/57/50/1137755750.db2.gz KOYMVGAQGARUNO-UHFFFAOYSA-N 2 1 345.531 3.542 20 0 EHADMP C[C@]1(C(F)(F)F)CC[NH+](CCC[N@H+]2CC[C@](C)(C(F)(F)F)C2)C1 ZINC000880002233 1137764502 /nfs/dbraw/zinc/76/45/02/1137764502.db2.gz HVMLCAZDHNSKFK-STQMWFEESA-N 2 1 346.359 3.925 20 0 EHADMP C[C@]1(C(F)(F)F)CC[NH+](CCC[N@@H+]2CC[C@](C)(C(F)(F)F)C2)C1 ZINC000880002233 1137764503 /nfs/dbraw/zinc/76/45/03/1137764503.db2.gz HVMLCAZDHNSKFK-STQMWFEESA-N 2 1 346.359 3.925 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880142857 1137769270 /nfs/dbraw/zinc/76/92/70/1137769270.db2.gz VFPBKJSLKZQNQX-LEWJYISDSA-N 2 1 340.515 3.684 20 0 EHADMP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880205576 1137771051 /nfs/dbraw/zinc/77/10/51/1137771051.db2.gz SOHNXPLLTBJBLN-VMBOVVBDSA-N 2 1 348.453 3.588 20 0 EHADMP FC(F)(F)C1CCC(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880205576 1137771052 /nfs/dbraw/zinc/77/10/52/1137771052.db2.gz SOHNXPLLTBJBLN-VMBOVVBDSA-N 2 1 348.453 3.588 20 0 EHADMP CCn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2ccccc2)n1 ZINC000882904916 1137837420 /nfs/dbraw/zinc/83/74/20/1137837420.db2.gz OPSWEPOHPDZHKZ-UHFFFAOYSA-N 2 1 340.515 3.923 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202597805 1137882591 /nfs/dbraw/zinc/88/25/91/1137882591.db2.gz GBHUBFTWVDZIIX-UHFFFAOYSA-N 2 1 336.907 3.663 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202597805 1137882592 /nfs/dbraw/zinc/88/25/92/1137882592.db2.gz GBHUBFTWVDZIIX-UHFFFAOYSA-N 2 1 336.907 3.663 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000282901919 1137923945 /nfs/dbraw/zinc/92/39/45/1137923945.db2.gz FNBSZKAKQDYRPH-UHFFFAOYSA-N 2 1 332.879 3.625 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886534132 1138091615 /nfs/dbraw/zinc/09/16/15/1138091615.db2.gz BJFDGBGYJFBYAY-CMOCDZPBSA-N 2 1 344.543 3.674 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc1 ZINC000886561579 1138097127 /nfs/dbraw/zinc/09/71/27/1138097127.db2.gz BUUKQTZKCXFRIB-VDGAXYAQSA-N 2 1 341.886 3.878 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1 ZINC000886561579 1138097129 /nfs/dbraw/zinc/09/71/29/1138097129.db2.gz BUUKQTZKCXFRIB-VDGAXYAQSA-N 2 1 341.886 3.878 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876119 1138163166 /nfs/dbraw/zinc/16/31/66/1138163166.db2.gz JNBPNKMBHPWKLI-HKBOAZHASA-N 2 1 328.500 3.762 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)ccc1Br ZINC000090184989 1138209890 /nfs/dbraw/zinc/20/98/90/1138209890.db2.gz JCVLIPZARJZXLV-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000090585877 1138212181 /nfs/dbraw/zinc/21/21/81/1138212181.db2.gz MVXQWDNEEKFPMM-FUHWJXTLSA-N 2 1 331.504 3.664 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000090585877 1138212182 /nfs/dbraw/zinc/21/21/82/1138212182.db2.gz MVXQWDNEEKFPMM-FUHWJXTLSA-N 2 1 331.504 3.664 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000093644289 1138238904 /nfs/dbraw/zinc/23/89/04/1138238904.db2.gz XORWLQJFSQCOLL-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644289 1138238906 /nfs/dbraw/zinc/23/89/06/1138238906.db2.gz XORWLQJFSQCOLL-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCc2ccccn2)CCN1C ZINC000093644289 1138238907 /nfs/dbraw/zinc/23/89/07/1138238907.db2.gz XORWLQJFSQCOLL-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683658 1138239941 /nfs/dbraw/zinc/23/99/41/1138239941.db2.gz VEVKMZHHGFFMJE-INIZCTEOSA-N 2 1 342.462 3.524 20 0 EHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683658 1138239944 /nfs/dbraw/zinc/23/99/44/1138239944.db2.gz VEVKMZHHGFFMJE-INIZCTEOSA-N 2 1 342.462 3.524 20 0 EHADMP CSC[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093761222 1138241096 /nfs/dbraw/zinc/24/10/96/1138241096.db2.gz LETKRAYFTRBQPX-LJQANCHMSA-N 2 1 347.572 3.544 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000126359482 1138329515 /nfs/dbraw/zinc/32/95/15/1138329515.db2.gz NITXQQHJGNFTCU-SWLSCSKDSA-N 2 1 343.284 3.593 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000128289072 1138385452 /nfs/dbraw/zinc/38/54/52/1138385452.db2.gz KYDFNGAVYVSOSM-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615632 1138465391 /nfs/dbraw/zinc/46/53/91/1138465391.db2.gz RFKVQGLAMPIKPV-SPYBWZPUSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615632 1138465394 /nfs/dbraw/zinc/46/53/94/1138465394.db2.gz RFKVQGLAMPIKPV-SPYBWZPUSA-N 2 1 343.446 3.831 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000130803509 1138477781 /nfs/dbraw/zinc/47/77/81/1138477781.db2.gz GIOUFTLOYFOYBR-INIZCTEOSA-N 2 1 342.487 3.664 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000130803509 1138477783 /nfs/dbraw/zinc/47/77/83/1138477783.db2.gz GIOUFTLOYFOYBR-INIZCTEOSA-N 2 1 342.487 3.664 20 0 EHADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)CC2CC2)c(OC)c1 ZINC000337428525 1138566362 /nfs/dbraw/zinc/56/63/62/1138566362.db2.gz FCBPVCSSMURVGF-UHFFFAOYSA-N 2 1 343.471 3.511 20 0 EHADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)CC2CC2)c(OC)c1 ZINC000337428525 1138566363 /nfs/dbraw/zinc/56/63/63/1138566363.db2.gz FCBPVCSSMURVGF-UHFFFAOYSA-N 2 1 343.471 3.511 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000264822354 1138649208 /nfs/dbraw/zinc/64/92/08/1138649208.db2.gz DRMFFKMMIINSJB-UHFFFAOYSA-N 2 1 336.439 3.867 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)oc1C ZINC000337999956 1138720001 /nfs/dbraw/zinc/72/00/01/1138720001.db2.gz PKIJNGUGOWNQFC-RBUKOAKNSA-N 2 1 331.504 3.672 20 0 EHADMP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000338236182 1138797343 /nfs/dbraw/zinc/79/73/43/1138797343.db2.gz JWWALLJSAYGOBS-CYBMUJFWSA-N 2 1 348.491 3.679 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCO[C@@H]2CCCCO2)cc1 ZINC000338279840 1138814146 /nfs/dbraw/zinc/81/41/46/1138814146.db2.gz GRWIOBHVMWJAHI-OXQOHEQNSA-N 2 1 343.471 3.765 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)[C@H](C)C1 ZINC000153077892 1139121942 /nfs/dbraw/zinc/12/19/42/1139121942.db2.gz MHCPXMJNCNQLSN-GFOJFJKKSA-N 2 1 330.516 3.783 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174275222 1139410777 /nfs/dbraw/zinc/41/07/77/1139410777.db2.gz XOHQPRMXMPTCDI-IRXDYDNUSA-N 2 1 342.483 3.540 20 0 EHADMP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178256368 1139682003 /nfs/dbraw/zinc/68/20/03/1139682003.db2.gz CCMRSPOPUQJAJJ-LJQANCHMSA-N 2 1 326.484 3.897 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632840 1139708167 /nfs/dbraw/zinc/70/81/67/1139708167.db2.gz GRYPPUSFOOIPLP-WMZOPIPTSA-N 2 1 327.497 3.726 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632840 1139708171 /nfs/dbraw/zinc/70/81/71/1139708171.db2.gz GRYPPUSFOOIPLP-WMZOPIPTSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632840 1139708175 /nfs/dbraw/zinc/70/81/75/1139708175.db2.gz GRYPPUSFOOIPLP-WMZOPIPTSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000178632840 1139708179 /nfs/dbraw/zinc/70/81/79/1139708179.db2.gz GRYPPUSFOOIPLP-WMZOPIPTSA-N 2 1 327.497 3.726 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nccn1C ZINC000182243709 1139960408 /nfs/dbraw/zinc/96/04/08/1139960408.db2.gz KQVYZQWKKQIZOL-IBGZPJMESA-N 2 1 326.488 3.647 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(F)c1F ZINC000183246846 1140024136 /nfs/dbraw/zinc/02/41/36/1140024136.db2.gz UMSKSIWJYIIALD-AWEZNQCLSA-N 2 1 334.410 3.756 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183553759 1140046515 /nfs/dbraw/zinc/04/65/15/1140046515.db2.gz WGXYAXXXKYHEJR-YWZLYKJASA-N 2 1 338.430 3.741 20 0 EHADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183819996 1140059527 /nfs/dbraw/zinc/05/95/27/1140059527.db2.gz MUCFCMGNIVYQFT-QGZVFWFLSA-N 2 1 348.490 3.847 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1NC(C)=O ZINC000184510343 1140106307 /nfs/dbraw/zinc/10/63/07/1140106307.db2.gz AWHIUZIFKAEOFU-HZPDHXFCSA-N 2 1 347.503 3.569 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710636 1140165722 /nfs/dbraw/zinc/16/57/22/1140165722.db2.gz ILRRMYCMXDMONU-GJZGRUSLSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710636 1140165726 /nfs/dbraw/zinc/16/57/26/1140165726.db2.gz ILRRMYCMXDMONU-GJZGRUSLSA-N 2 1 349.906 3.521 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064705 1140236254 /nfs/dbraw/zinc/23/62/54/1140236254.db2.gz KUUFGIDUPPXVFT-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064705 1140236256 /nfs/dbraw/zinc/23/62/56/1140236256.db2.gz KUUFGIDUPPXVFT-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064705 1140236261 /nfs/dbraw/zinc/23/62/61/1140236261.db2.gz KUUFGIDUPPXVFT-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064705 1140236265 /nfs/dbraw/zinc/23/62/65/1140236265.db2.gz KUUFGIDUPPXVFT-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000191471070 1140465018 /nfs/dbraw/zinc/46/50/18/1140465018.db2.gz JJIXGPMXSRZXGI-UHFFFAOYSA-N 2 1 337.471 3.543 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000191471070 1140465021 /nfs/dbraw/zinc/46/50/21/1140465021.db2.gz JJIXGPMXSRZXGI-UHFFFAOYSA-N 2 1 337.471 3.543 20 0 EHADMP Cc1cc(N2CCC(Nc3cc[nH+]c4ccccc34)CC2)nc(C)[nH+]1 ZINC000267322110 1140777993 /nfs/dbraw/zinc/77/79/93/1140777993.db2.gz AEZHMCOCVSVDOH-UHFFFAOYSA-N 2 1 333.439 3.723 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC000717588571 1140808015 /nfs/dbraw/zinc/80/80/15/1140808015.db2.gz LDTQKKAUAYXUSO-UHFFFAOYSA-N 2 1 343.559 3.895 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000268732469 1140978521 /nfs/dbraw/zinc/97/85/21/1140978521.db2.gz ALBAHDBGEBOHDR-UYAOXDASSA-N 2 1 348.494 3.520 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000268732469 1140978527 /nfs/dbraw/zinc/97/85/27/1140978527.db2.gz ALBAHDBGEBOHDR-UYAOXDASSA-N 2 1 348.494 3.520 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268782231 1140990177 /nfs/dbraw/zinc/99/01/77/1140990177.db2.gz YLIFSPLZIMNELL-ZDUSSCGKSA-N 2 1 326.406 3.853 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000268816166 1140998352 /nfs/dbraw/zinc/99/83/52/1140998352.db2.gz NOJVDEPIPDNHMQ-INIZCTEOSA-N 2 1 337.471 3.653 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-c2ccccc2)c1 ZINC000268821769 1140999903 /nfs/dbraw/zinc/99/99/03/1140999903.db2.gz HTKHCDMMKYAXEG-GOSISDBHSA-N 2 1 338.495 3.851 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268883347 1141016654 /nfs/dbraw/zinc/01/66/54/1141016654.db2.gz FPBAZPSZRRTTFM-SIKLNZKXSA-N 2 1 343.559 3.894 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000268982037 1141039652 /nfs/dbraw/zinc/03/96/52/1141039652.db2.gz DCNZKVJIQGSQAW-KXBFYZLASA-N 2 1 343.540 3.945 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000268982037 1141039658 /nfs/dbraw/zinc/03/96/58/1141039658.db2.gz DCNZKVJIQGSQAW-KXBFYZLASA-N 2 1 343.540 3.945 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413418 1141220767 /nfs/dbraw/zinc/22/07/67/1141220767.db2.gz DVOOMCNKFFKERY-RBUKOAKNSA-N 2 1 336.907 3.570 20 0 EHADMP COc1ccc(OC)c(C[N@H+](CCn2cc[nH+]c2C)C(C)(C)C)c1 ZINC000270846915 1141276078 /nfs/dbraw/zinc/27/60/78/1141276078.db2.gz HCRNKNBMUCJORQ-UHFFFAOYSA-N 2 1 331.460 3.509 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](CCn2cc[nH+]c2C)C(C)(C)C)c1 ZINC000270846915 1141276082 /nfs/dbraw/zinc/27/60/82/1141276082.db2.gz HCRNKNBMUCJORQ-UHFFFAOYSA-N 2 1 331.460 3.509 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000271432391 1141366096 /nfs/dbraw/zinc/36/60/96/1141366096.db2.gz CFCKWWABXOVORF-BZPMIXESSA-N 2 1 337.920 3.811 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000271510138 1141384184 /nfs/dbraw/zinc/38/41/84/1141384184.db2.gz NOFTXOQBDMWJEU-YUXAGFNASA-N 2 1 338.495 3.529 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)ncn3C)c1 ZINC000271687436 1141418754 /nfs/dbraw/zinc/41/87/54/1141418754.db2.gz QCWCIGZPLZCNGL-UHFFFAOYSA-N 2 1 336.483 3.703 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000339185216 1141522434 /nfs/dbraw/zinc/52/24/34/1141522434.db2.gz XHBJVJMSOWQYCG-MRXNPFEDSA-N 2 1 327.472 3.901 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000339185216 1141522437 /nfs/dbraw/zinc/52/24/37/1141522437.db2.gz XHBJVJMSOWQYCG-MRXNPFEDSA-N 2 1 327.472 3.901 20 0 EHADMP CCc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000339194733 1141524009 /nfs/dbraw/zinc/52/40/09/1141524009.db2.gz YACIXQQIEVAFDW-JOCHJYFZSA-N 2 1 335.495 3.742 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000283267863 1141581617 /nfs/dbraw/zinc/58/16/17/1141581617.db2.gz LALKYIRRGHCRRU-WIYYLYMNSA-N 2 1 347.522 3.625 20 0 EHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCC23CC[NH2+]CC3)nc1 ZINC001164421022 718912230 /nfs/dbraw/zinc/91/22/30/718912230.db2.gz NVXZCUGLZKTCEG-IBGZPJMESA-N 2 1 342.531 3.741 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C(C)(C)O1 ZINC000153253950 1125461357 /nfs/dbraw/zinc/46/13/57/1125461357.db2.gz OZDQPBPCLUMHRN-LJQANCHMSA-N 2 1 330.516 3.629 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459419472 1032068127 /nfs/dbraw/zinc/06/81/27/1032068127.db2.gz USGHTGNOYFDZFW-BVOGOJNSSA-N 2 1 330.516 3.517 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970495 1032070906 /nfs/dbraw/zinc/07/09/06/1032070906.db2.gz XGOAMVVMTATUDT-JPYJTQIMSA-N 2 1 334.507 3.902 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970495 1032070910 /nfs/dbraw/zinc/07/09/10/1032070910.db2.gz XGOAMVVMTATUDT-JPYJTQIMSA-N 2 1 334.507 3.902 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000537973581 1032075093 /nfs/dbraw/zinc/07/50/93/1032075093.db2.gz QYNZLEOKYQFTAH-GHTZIAJQSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000537973581 1032075103 /nfs/dbraw/zinc/07/51/03/1032075103.db2.gz QYNZLEOKYQFTAH-GHTZIAJQSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000657838673 1032081152 /nfs/dbraw/zinc/08/11/52/1032081152.db2.gz XFPYHRYGKPVWCY-PXNSSMCTSA-N 2 1 338.499 3.882 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439321 1014471402 /nfs/dbraw/zinc/47/14/02/1014471402.db2.gz ONIMDPWZNZKDIQ-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439321 1014471411 /nfs/dbraw/zinc/47/14/11/1014471411.db2.gz ONIMDPWZNZKDIQ-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439321 1014471418 /nfs/dbraw/zinc/47/14/18/1014471418.db2.gz ONIMDPWZNZKDIQ-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439321 1014471426 /nfs/dbraw/zinc/47/14/26/1014471426.db2.gz ONIMDPWZNZKDIQ-MRXNPFEDSA-N 2 1 328.378 3.503 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1OC(F)F ZINC000643546006 1014477247 /nfs/dbraw/zinc/47/72/47/1014477247.db2.gz GZWJSWXBMHOUPM-WCQYABFASA-N 2 1 328.378 3.752 20 0 EHADMP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904526394 1032099215 /nfs/dbraw/zinc/09/92/15/1032099215.db2.gz AWTPHJGEEXTDNT-YOEHRIQHSA-N 2 1 328.460 3.768 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179495817 1015404719 /nfs/dbraw/zinc/40/47/19/1015404719.db2.gz OBWGCXOBKLRUQE-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179495817 1015404725 /nfs/dbraw/zinc/40/47/25/1015404725.db2.gz OBWGCXOBKLRUQE-AWEZNQCLSA-N 2 1 348.878 3.502 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@H]1c1cccs1 ZINC000459430412 1032115788 /nfs/dbraw/zinc/11/57/88/1032115788.db2.gz LBEMUVFCKYTTJJ-AEFFLSMTSA-N 2 1 342.512 3.588 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@H]1c1cccs1 ZINC000459430412 1032115792 /nfs/dbraw/zinc/11/57/92/1032115792.db2.gz LBEMUVFCKYTTJJ-AEFFLSMTSA-N 2 1 342.512 3.588 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000154470461 1015470386 /nfs/dbraw/zinc/47/03/86/1015470386.db2.gz JFBYRYHVVDQJRT-SFHVURJKSA-N 2 1 343.515 3.810 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123608402 1015479196 /nfs/dbraw/zinc/47/91/96/1015479196.db2.gz KGXPXKNBPYJMGE-UHFFFAOYSA-N 2 1 345.531 3.802 20 0 EHADMP CCc1nc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274882436 1015566336 /nfs/dbraw/zinc/56/63/36/1015566336.db2.gz HVEYJGBEAVPTNF-WMZOPIPTSA-N 2 1 343.540 3.748 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc1 ZINC000154653919 1015708501 /nfs/dbraw/zinc/70/85/01/1015708501.db2.gz CWLBONANVXCWLC-WMZOPIPTSA-N 2 1 329.488 3.876 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000154687785 1015768506 /nfs/dbraw/zinc/76/85/06/1015768506.db2.gz AQDNZPAKASEEAU-CLCXKQKWSA-N 2 1 343.446 3.831 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000180206877 1015882054 /nfs/dbraw/zinc/88/20/54/1015882054.db2.gz LIBZLKDQRHBIFF-IAGOWNOFSA-N 2 1 325.500 3.655 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000377559450 1016461247 /nfs/dbraw/zinc/46/12/47/1016461247.db2.gz CZNLJIZPLILBHU-YFVAEKQCSA-N 2 1 336.479 3.663 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119331 1016467326 /nfs/dbraw/zinc/46/73/26/1016467326.db2.gz AABQQRJNIJYOPD-LSDHHAIUSA-N 2 1 326.431 3.979 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119331 1016467333 /nfs/dbraw/zinc/46/73/33/1016467333.db2.gz AABQQRJNIJYOPD-LSDHHAIUSA-N 2 1 326.431 3.979 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695742 1032155228 /nfs/dbraw/zinc/15/52/28/1032155228.db2.gz NFRHZJJSZOXPTD-QGZVFWFLSA-N 2 1 328.500 3.564 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695742 1032155233 /nfs/dbraw/zinc/15/52/33/1032155233.db2.gz NFRHZJJSZOXPTD-QGZVFWFLSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695742 1032155241 /nfs/dbraw/zinc/15/52/41/1032155241.db2.gz NFRHZJJSZOXPTD-QGZVFWFLSA-N 2 1 328.500 3.564 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000536695742 1032155249 /nfs/dbraw/zinc/15/52/49/1032155249.db2.gz NFRHZJJSZOXPTD-QGZVFWFLSA-N 2 1 328.500 3.564 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H]1SC ZINC000459460422 1032162566 /nfs/dbraw/zinc/16/25/66/1032162566.db2.gz HWCOBPMRNBQIBT-QRVBRYPASA-N 2 1 336.545 3.525 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840733 1032185231 /nfs/dbraw/zinc/18/52/31/1032185231.db2.gz IJGGRYJYHVWIST-CVEARBPZSA-N 2 1 342.483 3.849 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449105912 1032186102 /nfs/dbraw/zinc/18/61/02/1032186102.db2.gz FTNFXGTZGCCTAX-UHFFFAOYSA-N 2 1 342.668 3.706 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449090616 1032197588 /nfs/dbraw/zinc/19/75/88/1032197588.db2.gz HJVOZPOGWVPCRC-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449090616 1032197591 /nfs/dbraw/zinc/19/75/91/1032197591.db2.gz HJVOZPOGWVPCRC-AWEZNQCLSA-N 2 1 333.476 3.771 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631061 1032209167 /nfs/dbraw/zinc/20/91/67/1032209167.db2.gz QWVKYJRFUCVQQP-OHLDOZIISA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379631061 1032209182 /nfs/dbraw/zinc/20/91/82/1032209182.db2.gz QWVKYJRFUCVQQP-OHLDOZIISA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379631061 1032209190 /nfs/dbraw/zinc/20/91/90/1032209190.db2.gz QWVKYJRFUCVQQP-OHLDOZIISA-N 3 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631061 1032209205 /nfs/dbraw/zinc/20/92/05/1032209205.db2.gz QWVKYJRFUCVQQP-OHLDOZIISA-N 3 1 341.543 3.550 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC34CCC4)CC2)oc1C ZINC000449124882 1032217829 /nfs/dbraw/zinc/21/78/29/1032217829.db2.gz PXWLGAXDCPCTIU-GOSISDBHSA-N 2 1 331.504 3.816 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400876 1032231004 /nfs/dbraw/zinc/23/10/04/1032231004.db2.gz RUAPAVAGRKJATD-INIZCTEOSA-N 2 1 347.528 3.537 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400876 1032231018 /nfs/dbraw/zinc/23/10/18/1032231018.db2.gz RUAPAVAGRKJATD-INIZCTEOSA-N 2 1 347.528 3.537 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccncc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379656028 1032250933 /nfs/dbraw/zinc/25/09/33/1032250933.db2.gz NUBCXYRPYRJWDS-QAPCUYQASA-N 2 1 329.875 3.878 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000379655706 1032252512 /nfs/dbraw/zinc/25/25/12/1032252512.db2.gz MRHFQBZVYPSLHJ-APWZRJJASA-N 2 1 338.451 3.558 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC[N@@H+]1C ZINC000449167639 1032260136 /nfs/dbraw/zinc/26/01/36/1032260136.db2.gz AWGUXMNBFVGNEJ-HFAKWTLXSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC[N@H+]1C ZINC000449167639 1032260152 /nfs/dbraw/zinc/26/01/52/1032260152.db2.gz AWGUXMNBFVGNEJ-HFAKWTLXSA-N 2 1 341.268 3.648 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449177965 1032275556 /nfs/dbraw/zinc/27/55/56/1032275556.db2.gz WTIYGJALCNZYMA-KGLIPLIRSA-N 2 1 333.476 3.912 20 0 EHADMP CCC[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000538304840 1032284578 /nfs/dbraw/zinc/28/45/78/1032284578.db2.gz MHQQEZVWJGZULD-XRXFAXGQSA-N 2 1 330.516 3.754 20 0 EHADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536865204 1032364531 /nfs/dbraw/zinc/36/45/31/1032364531.db2.gz WITCKSCCEVHTJH-FGTMMUONSA-N 2 1 334.504 3.544 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000459731197 1032435413 /nfs/dbraw/zinc/43/54/13/1032435413.db2.gz KVQDTQOMHJSGNE-AWEZNQCLSA-N 2 1 332.879 3.552 20 0 EHADMP CCCCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459732040 1032436042 /nfs/dbraw/zinc/43/60/42/1032436042.db2.gz LXVWDUDAZNFNQW-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000449338003 1032476101 /nfs/dbraw/zinc/47/61/01/1032476101.db2.gz QYZPFAORRJNBFX-MRXNPFEDSA-N 2 1 332.536 3.536 20 0 EHADMP CC[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000414639138 1017089981 /nfs/dbraw/zinc/08/99/81/1017089981.db2.gz DZTNHMXYSGCMAY-SFHVURJKSA-N 2 1 336.439 3.778 20 0 EHADMP CC[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000414639138 1017089988 /nfs/dbraw/zinc/08/99/88/1017089988.db2.gz DZTNHMXYSGCMAY-SFHVURJKSA-N 2 1 336.439 3.778 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000449400508 1032522223 /nfs/dbraw/zinc/52/22/23/1032522223.db2.gz JAZAMYDAPKURTM-WMZOPIPTSA-N 2 1 329.513 3.878 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000090524632 1032583907 /nfs/dbraw/zinc/58/39/07/1032583907.db2.gz MNVYQZUFJKXKNF-SNRMKQJTSA-N 2 1 342.483 3.851 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449477435 1032601183 /nfs/dbraw/zinc/60/11/83/1032601183.db2.gz IFBVVELJTKQGLX-JBACZVJFSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655685875 1017386795 /nfs/dbraw/zinc/38/67/95/1017386795.db2.gz RRKKHTYWDIJQED-OAQYLSRUSA-N 2 1 342.527 3.731 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2)C1 ZINC000655689348 1017390609 /nfs/dbraw/zinc/39/06/09/1017390609.db2.gz ARAVNMAMBRFACO-XLIONFOSSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2)C1 ZINC000655689348 1017390621 /nfs/dbraw/zinc/39/06/21/1017390621.db2.gz ARAVNMAMBRFACO-XLIONFOSSA-N 2 1 338.499 3.740 20 0 EHADMP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415036137 1017425776 /nfs/dbraw/zinc/42/57/76/1017425776.db2.gz FHZBWJYFRRQBFB-DZGCQCFKSA-N 2 1 344.833 3.905 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415036137 1017425788 /nfs/dbraw/zinc/42/57/88/1017425788.db2.gz FHZBWJYFRRQBFB-DZGCQCFKSA-N 2 1 344.833 3.905 20 0 EHADMP FC(F)(F)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415035590 1017440319 /nfs/dbraw/zinc/44/03/19/1017440319.db2.gz DTRTTXVINBUVHG-NVXWUHKLSA-N 2 1 342.405 3.592 20 0 EHADMP Clc1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)c1 ZINC000415040440 1017442000 /nfs/dbraw/zinc/44/20/00/1017442000.db2.gz OHYXEVVSTNNBNL-OAHLLOKOSA-N 2 1 336.888 3.537 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000655720846 1017460842 /nfs/dbraw/zinc/46/08/42/1017460842.db2.gz HKERWOANBWYWIT-MRXNPFEDSA-N 2 1 346.906 3.654 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000655720846 1017460852 /nfs/dbraw/zinc/46/08/52/1017460852.db2.gz HKERWOANBWYWIT-MRXNPFEDSA-N 2 1 346.906 3.654 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000655720846 1017460860 /nfs/dbraw/zinc/46/08/60/1017460860.db2.gz HKERWOANBWYWIT-MRXNPFEDSA-N 2 1 346.906 3.654 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](CO)C(C)C ZINC000449512559 1032701218 /nfs/dbraw/zinc/70/12/18/1032701218.db2.gz PSNKACXXKOBIST-FCHUYYIVSA-N 2 1 346.559 3.572 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415054595 1017479575 /nfs/dbraw/zinc/47/95/75/1017479575.db2.gz QAECEUWRTYKJDS-ZBFHGGJFSA-N 2 1 328.378 3.549 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071562 1017513964 /nfs/dbraw/zinc/51/39/64/1017513964.db2.gz WOLFRCAHEHJBJF-BEFAXECRSA-N 2 1 331.504 3.634 20 0 EHADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083321 1017525270 /nfs/dbraw/zinc/52/52/70/1017525270.db2.gz NJUGGWKWUBTMJU-YSTOQKLRSA-N 2 1 330.516 3.911 20 0 EHADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083313 1017525670 /nfs/dbraw/zinc/52/56/70/1017525670.db2.gz NJUGGWKWUBTMJU-FUMNGEBKSA-N 2 1 330.516 3.911 20 0 EHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000415109093 1017564059 /nfs/dbraw/zinc/56/40/59/1017564059.db2.gz NOPRHVLEWSQZEF-IAGOWNOFSA-N 2 1 343.298 3.712 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000121637158 1017681378 /nfs/dbraw/zinc/68/13/78/1017681378.db2.gz RNHSLRMTCNYPKD-LJQANCHMSA-N 2 1 338.470 3.762 20 0 EHADMP CCOc1ccc(F)c(F)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143494059 1017713958 /nfs/dbraw/zinc/71/39/58/1017713958.db2.gz STYUTSDVYQYCJM-UHFFFAOYSA-N 2 1 340.458 3.916 20 0 EHADMP CCOc1ccc(F)c(F)c1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143494059 1017713970 /nfs/dbraw/zinc/71/39/70/1017713970.db2.gz STYUTSDVYQYCJM-UHFFFAOYSA-N 2 1 340.458 3.916 20 0 EHADMP CC(C)[N@H+]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001167310583 1017817755 /nfs/dbraw/zinc/81/77/55/1017817755.db2.gz XAXCFMGQTPCWAN-UHFFFAOYSA-N 2 1 329.532 3.589 20 0 EHADMP COC1(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000340443157 1017841257 /nfs/dbraw/zinc/84/12/57/1017841257.db2.gz FCVRGHKQDXSFES-UHFFFAOYSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@]1(C)CCCO1 ZINC000340484744 1018058055 /nfs/dbraw/zinc/05/80/55/1018058055.db2.gz DTEFINCOEFKYTK-UTKZUKDTSA-N 2 1 342.483 3.959 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893018291 1018174256 /nfs/dbraw/zinc/17/42/56/1018174256.db2.gz DWUVHXIFQWMKSE-KSSFIOAISA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893018291 1018174263 /nfs/dbraw/zinc/17/42/63/1018174263.db2.gz DWUVHXIFQWMKSE-KSSFIOAISA-N 2 1 333.476 3.763 20 0 EHADMP Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C2CC2)n1 ZINC000893019767 1018180686 /nfs/dbraw/zinc/18/06/86/1018180686.db2.gz MURMRURDGYQJEX-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C2CC2)n1 ZINC000893019767 1018180692 /nfs/dbraw/zinc/18/06/92/1018180692.db2.gz MURMRURDGYQJEX-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C2CC2)n1 ZINC000893019767 1018180701 /nfs/dbraw/zinc/18/07/01/1018180701.db2.gz MURMRURDGYQJEX-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP CCO[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399660 1018189874 /nfs/dbraw/zinc/18/98/74/1018189874.db2.gz BLRLGEKQCVHZTF-PMACEKPBSA-N 2 1 330.516 3.692 20 0 EHADMP CCO[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399660 1018189881 /nfs/dbraw/zinc/18/98/81/1018189881.db2.gz BLRLGEKQCVHZTF-PMACEKPBSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000340533516 1018263486 /nfs/dbraw/zinc/26/34/86/1018263486.db2.gz YIKMHSLILLYJJF-PPXMBRMGSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)C1CCC(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000377723732 1018268527 /nfs/dbraw/zinc/26/85/27/1018268527.db2.gz XDYCZYZHPASDTO-QMIIDVESSA-N 2 1 347.591 3.692 20 0 EHADMP COc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000562901777 1032760939 /nfs/dbraw/zinc/76/09/39/1032760939.db2.gz QNRFLWPBMPBGTG-RXVVDRJESA-N 2 1 338.495 3.738 20 0 EHADMP Cc1ncncc1[C@H](C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000584540050 1018442482 /nfs/dbraw/zinc/44/24/82/1018442482.db2.gz MIXWQOXQIHSZMQ-DHSIGJKJSA-N 2 1 330.501 3.580 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000584540050 1018442496 /nfs/dbraw/zinc/44/24/96/1018442496.db2.gz MIXWQOXQIHSZMQ-DHSIGJKJSA-N 2 1 330.501 3.580 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000584540050 1018442501 /nfs/dbraw/zinc/44/25/01/1018442501.db2.gz MIXWQOXQIHSZMQ-DHSIGJKJSA-N 2 1 330.501 3.580 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560049 1032807437 /nfs/dbraw/zinc/80/74/37/1032807437.db2.gz FISOWOGMEGCXTA-FAXKSRBJSA-N 2 1 343.515 3.742 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398014090 1019174646 /nfs/dbraw/zinc/17/46/46/1019174646.db2.gz FHDTWFAZNZWVHB-SIKLNZKXSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000580446600 1019380222 /nfs/dbraw/zinc/38/02/22/1019380222.db2.gz QGGWDSXDFWCMQF-KRWDZBQOSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@H]1CC[NH+](CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000580446600 1019380239 /nfs/dbraw/zinc/38/02/39/1019380239.db2.gz QGGWDSXDFWCMQF-KRWDZBQOSA-N 2 1 343.515 3.731 20 0 EHADMP C[C@H]1CC[NH+](CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000580446600 1019380249 /nfs/dbraw/zinc/38/02/49/1019380249.db2.gz QGGWDSXDFWCMQF-KRWDZBQOSA-N 2 1 343.515 3.731 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000894225120 1019631822 /nfs/dbraw/zinc/63/18/22/1019631822.db2.gz ABBSTIHYXGDZAV-HXUWFJFHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000894225120 1019631831 /nfs/dbraw/zinc/63/18/31/1019631831.db2.gz ABBSTIHYXGDZAV-HXUWFJFHSA-N 2 1 327.447 3.531 20 0 EHADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047969588 1019745101 /nfs/dbraw/zinc/74/51/01/1019745101.db2.gz MZUCRYZWRQKGJL-UHFFFAOYSA-N 2 1 343.515 3.556 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275963386 1019973921 /nfs/dbraw/zinc/97/39/21/1019973921.db2.gz WCHSUANEIHUNDP-HNNXBMFYSA-N 2 1 341.318 3.813 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000280098078 1020079934 /nfs/dbraw/zinc/07/99/34/1020079934.db2.gz ZTUYWRGBOFQUGQ-MRXNPFEDSA-N 2 1 332.517 3.527 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000280098078 1020079948 /nfs/dbraw/zinc/07/99/48/1020079948.db2.gz ZTUYWRGBOFQUGQ-MRXNPFEDSA-N 2 1 332.517 3.527 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345284452 1020112657 /nfs/dbraw/zinc/11/26/57/1020112657.db2.gz RFYGPYJTPQABBY-IBGZPJMESA-N 2 1 336.907 3.618 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581011101 1020352677 /nfs/dbraw/zinc/35/26/77/1020352677.db2.gz CEYSJPXYMSRACI-OAQYLSRUSA-N 2 1 338.499 3.571 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581011101 1020352687 /nfs/dbraw/zinc/35/26/87/1020352687.db2.gz CEYSJPXYMSRACI-OAQYLSRUSA-N 2 1 338.499 3.571 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548156367 1020578978 /nfs/dbraw/zinc/57/89/78/1020578978.db2.gz OSHJCWJJQIUDJH-UGKGYDQZSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548156367 1020578986 /nfs/dbraw/zinc/57/89/86/1020578986.db2.gz OSHJCWJJQIUDJH-UGKGYDQZSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430542671 1020584372 /nfs/dbraw/zinc/58/43/72/1020584372.db2.gz CPOZLSWLBABGTD-APWZRJJASA-N 2 1 342.458 3.964 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC000501145997 1020721694 /nfs/dbraw/zinc/72/16/94/1020721694.db2.gz ZXPBRZLQZJTEPT-UHFFFAOYSA-N 2 1 345.575 3.951 20 0 EHADMP C[C@@](C[NH3+])([NH2+]CCCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000430575504 1020770182 /nfs/dbraw/zinc/77/01/82/1020770182.db2.gz VBHJQVDONHNMII-INIZCTEOSA-N 2 1 330.394 3.581 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501308 1021057464 /nfs/dbraw/zinc/05/74/64/1021057464.db2.gz FERCRZYEJGFCJV-PMACEKPBSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CCC2(CN(C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501308 1021057469 /nfs/dbraw/zinc/05/74/69/1021057469.db2.gz FERCRZYEJGFCJV-PMACEKPBSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CCC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501308 1021057472 /nfs/dbraw/zinc/05/74/72/1021057472.db2.gz FERCRZYEJGFCJV-PMACEKPBSA-N 2 1 335.580 3.552 20 0 EHADMP C[C@H](C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000342402257 1021277852 /nfs/dbraw/zinc/27/78/52/1021277852.db2.gz CVYAJXWCRVRMRQ-IXDOHACOSA-N 2 1 343.515 3.523 20 0 EHADMP C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000342402257 1021277863 /nfs/dbraw/zinc/27/78/63/1021277863.db2.gz CVYAJXWCRVRMRQ-IXDOHACOSA-N 2 1 343.515 3.523 20 0 EHADMP C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000342402257 1021277872 /nfs/dbraw/zinc/27/78/72/1021277872.db2.gz CVYAJXWCRVRMRQ-IXDOHACOSA-N 2 1 343.515 3.523 20 0 EHADMP c1coc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000656785555 1021338365 /nfs/dbraw/zinc/33/83/65/1021338365.db2.gz LYFLRDJOQPCIIZ-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000684369982 1021369545 /nfs/dbraw/zinc/36/95/45/1021369545.db2.gz HCUGWCXSBWKYNF-JRGCBEDISA-N 2 1 330.516 3.966 20 0 EHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414999241 1021470042 /nfs/dbraw/zinc/47/00/42/1021470042.db2.gz JWHJSHMZKABKFO-FVQBIDKESA-N 2 1 328.834 3.811 20 0 EHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cs1 ZINC000894383583 1021517971 /nfs/dbraw/zinc/51/79/71/1021517971.db2.gz FYOCQQJQGYGMRI-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5cnccc5c4)C[C@@H]3C2)cc1 ZINC000684413038 1021672695 /nfs/dbraw/zinc/67/26/95/1021672695.db2.gz MCELGEIJYRGLDR-ZRZAMGCNSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5cnccc5c4)C[C@@H]3C2)cc1 ZINC000684413038 1021672701 /nfs/dbraw/zinc/67/27/01/1021672701.db2.gz MCELGEIJYRGLDR-ZRZAMGCNSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5cnccc5c4)C[C@@H]3C2)cc1 ZINC000684413038 1021672706 /nfs/dbraw/zinc/67/27/06/1021672706.db2.gz MCELGEIJYRGLDR-ZRZAMGCNSA-N 2 1 343.474 3.799 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000517011963 1021936616 /nfs/dbraw/zinc/93/66/16/1021936616.db2.gz NTMYQAAOOQZLMB-ZLNRFVROSA-N 2 1 349.522 3.965 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166563 1022085538 /nfs/dbraw/zinc/08/55/38/1022085538.db2.gz JDWLUBGHTIPIMQ-LSDHHAIUSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166563 1022085552 /nfs/dbraw/zinc/08/55/52/1022085552.db2.gz JDWLUBGHTIPIMQ-LSDHHAIUSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070455 1022095090 /nfs/dbraw/zinc/09/50/90/1022095090.db2.gz LJCGKRAAZGZYPD-GFCCVEGCSA-N 2 1 331.287 3.884 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccnn2CC(C)C)cc1 ZINC000647190840 1022127541 /nfs/dbraw/zinc/12/75/41/1022127541.db2.gz RAZOMLGEASNTQW-INIZCTEOSA-N 2 1 337.471 3.884 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385155 1022203660 /nfs/dbraw/zinc/20/36/60/1022203660.db2.gz CLMGIAWALICSJD-QUCCMNQESA-N 2 1 342.527 3.750 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385155 1022203671 /nfs/dbraw/zinc/20/36/71/1022203671.db2.gz CLMGIAWALICSJD-QUCCMNQESA-N 2 1 342.527 3.750 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000441385155 1022203682 /nfs/dbraw/zinc/20/36/82/1022203682.db2.gz CLMGIAWALICSJD-QUCCMNQESA-N 2 1 342.527 3.750 20 0 EHADMP COCC[NH+]1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000574320324 1033039208 /nfs/dbraw/zinc/03/92/08/1033039208.db2.gz NUTHVDIDBAIYJE-UHFFFAOYSA-N 2 1 330.516 3.661 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)C1 ZINC000187818704 1022251986 /nfs/dbraw/zinc/25/19/86/1022251986.db2.gz JVVYHNSPDZIONZ-MAUKXSAKSA-N 2 1 334.529 3.944 20 0 EHADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517387476 1022297965 /nfs/dbraw/zinc/29/79/65/1022297965.db2.gz HHWWDHOWNFQIOU-WIYYLYMNSA-N 2 1 340.515 3.510 20 0 EHADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517387476 1022297968 /nfs/dbraw/zinc/29/79/68/1022297968.db2.gz HHWWDHOWNFQIOU-WIYYLYMNSA-N 2 1 340.515 3.510 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000519536690 1022313930 /nfs/dbraw/zinc/31/39/30/1022313930.db2.gz JGGNWJXPYGHLKO-KRWDZBQOSA-N 2 1 344.543 3.872 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199726 1022321542 /nfs/dbraw/zinc/32/15/42/1022321542.db2.gz OECLSCCCTBJPPC-AZUAARDMSA-N 2 1 340.515 3.539 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199726 1022321555 /nfs/dbraw/zinc/32/15/55/1022321555.db2.gz OECLSCCCTBJPPC-AZUAARDMSA-N 2 1 340.515 3.539 20 0 EHADMP Cc1cccn2c([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cnc12 ZINC001167972747 1022462332 /nfs/dbraw/zinc/46/23/32/1022462332.db2.gz AQVKQJNLOHDHOS-UXDRXVOSSA-N 2 1 338.499 3.699 20 0 EHADMP Fc1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)ccn1 ZINC001167975086 1022568732 /nfs/dbraw/zinc/56/87/32/1022568732.db2.gz GTXLZIHXONUUMY-AQDPXUSMSA-N 2 1 329.463 3.667 20 0 EHADMP CCc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)c2ccccc2[nH+]1 ZINC000124766383 1022576324 /nfs/dbraw/zinc/57/63/24/1022576324.db2.gz DXKHFWGHCZWCKU-UHFFFAOYSA-N 2 1 334.467 3.990 20 0 EHADMP Fc1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)c1 ZINC001167975599 1022642028 /nfs/dbraw/zinc/64/20/28/1022642028.db2.gz SEPFLZOCHICPJW-RAFMOHDBSA-N 2 1 329.463 3.667 20 0 EHADMP Fc1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)c1 ZINC001167975599 1022642037 /nfs/dbraw/zinc/64/20/37/1022642037.db2.gz SEPFLZOCHICPJW-RAFMOHDBSA-N 2 1 329.463 3.667 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000925079096 1022836644 /nfs/dbraw/zinc/83/66/44/1022836644.db2.gz DUUREJGURWRBNB-UUBYJMPYSA-N 2 1 328.500 3.759 20 0 EHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1cccs1 ZINC000414943015 1022929965 /nfs/dbraw/zinc/92/99/65/1022929965.db2.gz FBLZPAOGDPHJIR-HOCLYGCPSA-N 2 1 346.496 3.566 20 0 EHADMP COc1cc(Cl)c(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000506885918 1022975324 /nfs/dbraw/zinc/97/53/24/1022975324.db2.gz SFZUTZRZIMTGBA-UHFFFAOYSA-N 2 1 331.287 3.776 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)C1 ZINC000430963639 1022981932 /nfs/dbraw/zinc/98/19/32/1022981932.db2.gz AKOOPRAOWPBHOM-HNNXBMFYSA-N 2 1 329.513 3.975 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C(C)C)cc3)s2)C1 ZINC000430963639 1022981943 /nfs/dbraw/zinc/98/19/43/1022981943.db2.gz AKOOPRAOWPBHOM-HNNXBMFYSA-N 2 1 329.513 3.975 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414951682 1022993361 /nfs/dbraw/zinc/99/33/61/1022993361.db2.gz PYKQURLIZWULQG-RNCFNFMXSA-N 2 1 340.311 3.954 20 0 EHADMP CC(C)[C@@](C)(O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925039308 1023046626 /nfs/dbraw/zinc/04/66/26/1023046626.db2.gz DWDRKYNIMPUPMU-VTHDOGFWSA-N 2 1 330.516 3.569 20 0 EHADMP Cc1cccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167984754 1023190048 /nfs/dbraw/zinc/19/00/48/1023190048.db2.gz QTTDCQUUFNBIHJ-CBQGHPETSA-N 2 1 339.527 3.522 20 0 EHADMP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167984754 1023190052 /nfs/dbraw/zinc/19/00/52/1023190052.db2.gz QTTDCQUUFNBIHJ-CBQGHPETSA-N 2 1 339.527 3.522 20 0 EHADMP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167984754 1023190059 /nfs/dbraw/zinc/19/00/59/1023190059.db2.gz QTTDCQUUFNBIHJ-CBQGHPETSA-N 2 1 339.527 3.522 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)n1 ZINC000431078921 1023232553 /nfs/dbraw/zinc/23/25/53/1023232553.db2.gz HRNBPQOQYRLHAR-QGZVFWFLSA-N 2 1 336.439 3.754 20 0 EHADMP COCCSc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000341752854 1023251627 /nfs/dbraw/zinc/25/16/27/1023251627.db2.gz YRILYMCVIOYDIW-OAHLLOKOSA-N 2 1 333.501 3.671 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000090252169 1023256637 /nfs/dbraw/zinc/25/66/37/1023256637.db2.gz TWXDNZYJGBBEOF-NSHDSACASA-N 2 1 331.685 3.663 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)s1 ZINC000276951160 1023455481 /nfs/dbraw/zinc/45/54/81/1023455481.db2.gz ORHYJUCWZFFDIG-WDEREUQCSA-N 2 1 340.290 3.620 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000535684903 1023563848 /nfs/dbraw/zinc/56/38/48/1023563848.db2.gz CCGUQUMUCXFRMR-HKUYNNGSSA-N 2 1 336.907 3.544 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000535806997 1023660369 /nfs/dbraw/zinc/66/03/69/1023660369.db2.gz PZYRZZQBRJCEFX-PWRODBHTSA-N 2 1 330.516 3.569 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C(C)(C)C(F)F)CCCC2)CC1 ZINC000657881421 1033174323 /nfs/dbraw/zinc/17/43/23/1033174323.db2.gz OJJVXJCUYMGHGM-AWEZNQCLSA-N 2 1 332.479 3.679 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192466622 1024027522 /nfs/dbraw/zinc/02/75/22/1024027522.db2.gz JROPVUBLOCKNBU-UHFFFAOYSA-N 2 1 343.446 3.706 20 0 EHADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2c(Br)cccc12 ZINC000522624214 1024124863 /nfs/dbraw/zinc/12/48/63/1024124863.db2.gz HVANODWYWVQLNO-UHFFFAOYSA-N 2 1 336.277 3.997 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000280833088 1024321460 /nfs/dbraw/zinc/32/14/60/1024321460.db2.gz LGMUKPZJAFBTOV-UONOGXRCSA-N 2 1 337.389 3.685 20 0 EHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853116 1024404686 /nfs/dbraw/zinc/40/46/86/1024404686.db2.gz RVJGNNAHMWPGNG-SUMWQHHRSA-N 2 1 337.895 3.554 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000346145301 1024446290 /nfs/dbraw/zinc/44/62/90/1024446290.db2.gz DAWFOLYYLZSOTP-HXUWFJFHSA-N 2 1 335.455 3.641 20 0 EHADMP Cc1n[nH]cc1CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280997758 1024508413 /nfs/dbraw/zinc/50/84/13/1024508413.db2.gz MIEFRBBAFPPAMO-UHFFFAOYSA-N 2 1 340.515 3.684 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000346232852 1024545520 /nfs/dbraw/zinc/54/55/20/1024545520.db2.gz YXEHHZVPZHYVMA-NRFANRHFSA-N 2 1 332.451 3.739 20 0 EHADMP C[C@@H]1CCCCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000548584328 1024549370 /nfs/dbraw/zinc/54/93/70/1024549370.db2.gz GUVVDYSVSRKVRC-GOSISDBHSA-N 2 1 329.532 3.982 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000342273631 1024681651 /nfs/dbraw/zinc/68/16/51/1024681651.db2.gz GQCXFTQCXWZLDK-DGCLKSJQSA-N 2 1 335.439 3.663 20 0 EHADMP Fc1ccc(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000469811084 1024781657 /nfs/dbraw/zinc/78/16/57/1024781657.db2.gz UEWIKTJXWAZUSD-QZTJIDSGSA-N 2 1 334.454 3.846 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCCO1 ZINC000346562642 1024866064 /nfs/dbraw/zinc/86/60/64/1024866064.db2.gz QQVKCXCATXHMQK-UZLBHIALSA-N 2 1 328.456 3.569 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000657887208 1033241907 /nfs/dbraw/zinc/24/19/07/1033241907.db2.gz FVLJLAFLUQNDIN-IAOVAPTHSA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000657887208 1033241920 /nfs/dbraw/zinc/24/19/20/1033241920.db2.gz FVLJLAFLUQNDIN-IAOVAPTHSA-N 2 1 339.321 3.843 20 0 EHADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167958973 1024904725 /nfs/dbraw/zinc/90/47/25/1024904725.db2.gz LKRQKMMTEFTZEX-PHHCVGHBSA-N 2 1 342.483 3.529 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@]23CCCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034197 1024906973 /nfs/dbraw/zinc/90/69/73/1024906973.db2.gz OMTLCYZPAFIVKQ-CXUGJCBMSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000435421864 1024908905 /nfs/dbraw/zinc/90/89/05/1024908905.db2.gz LDWGPFDLTYRGLV-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000435421864 1024908912 /nfs/dbraw/zinc/90/89/12/1024908912.db2.gz LDWGPFDLTYRGLV-SFHVURJKSA-N 2 1 341.524 3.904 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000281335465 1024910051 /nfs/dbraw/zinc/91/00/51/1024910051.db2.gz UFQWEJPUZKHMHN-HIFRSBDPSA-N 2 1 326.406 3.710 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1ccc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC000435430246 1024918052 /nfs/dbraw/zinc/91/80/52/1024918052.db2.gz ZNIXBWFLRGJTMS-KRWDZBQOSA-N 2 1 329.513 3.680 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1ccc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC000435430246 1024918060 /nfs/dbraw/zinc/91/80/60/1024918060.db2.gz ZNIXBWFLRGJTMS-KRWDZBQOSA-N 2 1 329.513 3.680 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCC(F)(F)F)cc1 ZINC000665255165 1024958288 /nfs/dbraw/zinc/95/82/88/1024958288.db2.gz KMNACXKTOQYUJH-JQFCIGGWSA-N 2 1 344.421 3.851 20 0 EHADMP CCc1nc(C)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000428222860 1025057720 /nfs/dbraw/zinc/05/77/20/1025057720.db2.gz AAGADQYQIXZRCI-UHFFFAOYSA-N 2 1 341.499 3.889 20 0 EHADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000665267344 1025099709 /nfs/dbraw/zinc/09/97/09/1025099709.db2.gz VBURFPBRBCPZOD-IACUBPJLSA-N 2 1 343.334 3.829 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000056524335 1025116372 /nfs/dbraw/zinc/11/63/72/1025116372.db2.gz KCKYLJWPWMHEGK-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)CCC(C)C)C2)s1 ZINC000521052425 1025182705 /nfs/dbraw/zinc/18/27/05/1025182705.db2.gz WAHVWSBPSKJFGS-MSOLQXFVSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CCC(C)C)C2)s1 ZINC000521052425 1025182711 /nfs/dbraw/zinc/18/27/11/1025182711.db2.gz WAHVWSBPSKJFGS-MSOLQXFVSA-N 2 1 338.561 3.607 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CCC(C)C)C2)s1 ZINC000521052425 1025182720 /nfs/dbraw/zinc/18/27/20/1025182720.db2.gz WAHVWSBPSKJFGS-MSOLQXFVSA-N 2 1 338.561 3.607 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346838885 1025229106 /nfs/dbraw/zinc/22/91/06/1025229106.db2.gz RTPBERPEQQNCCF-VDGAXYAQSA-N 2 1 338.499 3.555 20 0 EHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Oc1cccnc1 ZINC000346854828 1025243102 /nfs/dbraw/zinc/24/31/02/1025243102.db2.gz UOBFYLXDGDHCNO-SXLOBPIMSA-N 2 1 337.467 3.742 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267927 1025307167 /nfs/dbraw/zinc/30/71/67/1025307167.db2.gz NSJONCCSTBLENS-BHIFYINESA-N 2 1 338.495 3.669 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267927 1025307171 /nfs/dbraw/zinc/30/71/71/1025307171.db2.gz NSJONCCSTBLENS-BHIFYINESA-N 2 1 338.495 3.669 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281709668 1025377117 /nfs/dbraw/zinc/37/71/17/1025377117.db2.gz TYQXRGJNZAXOOR-RBUKOAKNSA-N 2 1 326.488 3.991 20 0 EHADMP C[N@@H+](CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442635217 1025393034 /nfs/dbraw/zinc/39/30/34/1025393034.db2.gz IURLQLJQALCLOD-GOSISDBHSA-N 2 1 333.479 3.747 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347035953 1025420806 /nfs/dbraw/zinc/42/08/06/1025420806.db2.gz DRWJXSJAIWCOAO-KRWDZBQOSA-N 2 1 328.431 3.575 20 0 EHADMP CCCCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347031894 1025437017 /nfs/dbraw/zinc/43/70/17/1025437017.db2.gz AVCHIDNRLBTLHU-JWTNVVGKSA-N 2 1 332.488 3.589 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347031894 1025437022 /nfs/dbraw/zinc/43/70/22/1025437022.db2.gz AVCHIDNRLBTLHU-JWTNVVGKSA-N 2 1 332.488 3.589 20 0 EHADMP CCC[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1CC[NH2+]CC1 ZINC000347031223 1025437662 /nfs/dbraw/zinc/43/76/62/1025437662.db2.gz YOJPCDQJLXODEK-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192637816 1025481252 /nfs/dbraw/zinc/48/12/52/1025481252.db2.gz OZXPSLYPYZQSPD-YLJYHZDGSA-N 2 1 342.527 3.797 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000347113246 1025518412 /nfs/dbraw/zinc/51/84/12/1025518412.db2.gz RGHHDPCUXPZVOQ-GOSISDBHSA-N 2 1 325.456 3.614 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000347113246 1025518433 /nfs/dbraw/zinc/51/84/33/1025518433.db2.gz RGHHDPCUXPZVOQ-GOSISDBHSA-N 2 1 325.456 3.614 20 0 EHADMP C(CC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1)C[NH+]1CCCC1 ZINC000121593491 1025521015 /nfs/dbraw/zinc/52/10/15/1025521015.db2.gz HYUDLWXHTZWLGV-UHFFFAOYSA-N 2 1 346.519 3.815 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442829643 1025522881 /nfs/dbraw/zinc/52/28/81/1025522881.db2.gz VVROABYHWCONHG-IRXDYDNUSA-N 2 1 325.500 3.593 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000521632820 1025535138 /nfs/dbraw/zinc/53/51/38/1025535138.db2.gz WWGIZKSNCVPORF-HUUCEWRRSA-N 2 1 331.485 3.533 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1(C)C ZINC000442876939 1025555920 /nfs/dbraw/zinc/55/59/20/1025555920.db2.gz SRMUCFHITWHQRV-LJQANCHMSA-N 2 1 331.548 3.780 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000347139466 1025563557 /nfs/dbraw/zinc/56/35/57/1025563557.db2.gz YRBNODUQBLQHGT-UHFFFAOYSA-N 2 1 345.462 3.792 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000347139466 1025563566 /nfs/dbraw/zinc/56/35/66/1025563566.db2.gz YRBNODUQBLQHGT-UHFFFAOYSA-N 2 1 345.462 3.792 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1Oc1cccnc1 ZINC000442929063 1025594404 /nfs/dbraw/zinc/59/44/04/1025594404.db2.gz QSYPBMBSUXTNGC-QGZVFWFLSA-N 2 1 325.456 3.743 20 0 EHADMP CCCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000442963595 1025626967 /nfs/dbraw/zinc/62/69/67/1025626967.db2.gz GMYGRPYFCCMENN-QGZVFWFLSA-N 2 1 328.460 3.913 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443078646 1025705738 /nfs/dbraw/zinc/70/57/38/1025705738.db2.gz XFKUPJYTLUFQAV-SJORKVTESA-N 2 1 331.504 3.506 20 0 EHADMP Cc1nc(C(C)C)oc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000428305376 1025752838 /nfs/dbraw/zinc/75/28/38/1025752838.db2.gz KGEYVCKBJUFRLK-UHFFFAOYSA-N 2 1 342.487 3.850 20 0 EHADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407240 1025778227 /nfs/dbraw/zinc/77/82/27/1025778227.db2.gz GZDKQPYZSJVNSX-VQTJNVASSA-N 2 1 327.472 3.676 20 0 EHADMP C[N@H+]1CCC[C@@H]1CCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451299044 1025785929 /nfs/dbraw/zinc/78/59/29/1025785929.db2.gz YRCFDLGCPGMYIL-CYBMUJFWSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451299044 1025785943 /nfs/dbraw/zinc/78/59/43/1025785943.db2.gz YRCFDLGCPGMYIL-CYBMUJFWSA-N 2 1 347.450 3.826 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451299044 1025785959 /nfs/dbraw/zinc/78/59/59/1025785959.db2.gz YRCFDLGCPGMYIL-CYBMUJFWSA-N 2 1 347.450 3.826 20 0 EHADMP C[C@@H]1C[C@@H](NCc2cncc(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015910 1025911371 /nfs/dbraw/zinc/91/13/71/1025911371.db2.gz TYENZKVNDIKPOW-CWPLJXCYSA-N 2 1 327.447 3.752 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194027344 1025926045 /nfs/dbraw/zinc/92/60/45/1025926045.db2.gz SDVFECCXPKVTHJ-VAMGGRTRSA-N 2 1 328.500 3.576 20 0 EHADMP CCCO[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168053087 1026010263 /nfs/dbraw/zinc/01/02/63/1026010263.db2.gz MOTGWBDCYPQKRC-DBXWQHBBSA-N 2 1 330.516 3.929 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)Cc1ccccc1 ZINC000474049016 1026064775 /nfs/dbraw/zinc/06/47/75/1026064775.db2.gz ZGYPZMBWFFRFSX-PWRODBHTSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1nc(-c2ccccc2)cs1 ZINC000152469262 1026171663 /nfs/dbraw/zinc/17/16/63/1026171663.db2.gz QOHZWJBZUQPEIH-HUUCEWRRSA-N 2 1 327.497 3.945 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cc2)cc1 ZINC000563350395 1026211268 /nfs/dbraw/zinc/21/12/68/1026211268.db2.gz OCFQKFLCACOZSX-WBVHZDCISA-N 2 1 326.440 3.799 20 0 EHADMP COCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000451698407 1026217843 /nfs/dbraw/zinc/21/78/43/1026217843.db2.gz ZIDNAQFWAFOZOQ-INIZCTEOSA-N 2 1 341.377 3.578 20 0 EHADMP COCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000451698408 1026220480 /nfs/dbraw/zinc/22/04/80/1026220480.db2.gz ZIDNAQFWAFOZOQ-MRXNPFEDSA-N 2 1 341.377 3.578 20 0 EHADMP C[C@@H](CC[NH2+]CC1=Cc2ccccc2OC1)[N@@H+](C)Cc1ccccc1 ZINC000531094446 1026564388 /nfs/dbraw/zinc/56/43/88/1026564388.db2.gz DEPWVFWTTKWSAE-SFHVURJKSA-N 2 1 336.479 3.963 20 0 EHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000102420108 1026667010 /nfs/dbraw/zinc/66/70/10/1026667010.db2.gz TURHPAJQYJNOBB-CYVLTUHYSA-N 2 1 336.479 3.712 20 0 EHADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000564407769 1026718096 /nfs/dbraw/zinc/71/80/96/1026718096.db2.gz LUOVRXMEAWVOQP-IEBWSBKVSA-N 2 1 328.500 3.601 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)C1CC1 ZINC000657488498 1026730454 /nfs/dbraw/zinc/73/04/54/1026730454.db2.gz QJOVEHHNRRMOEH-UHFFFAOYSA-N 2 1 343.446 3.977 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000342716849 1026822053 /nfs/dbraw/zinc/82/20/53/1026822053.db2.gz XZWKJGJKSQLOMA-YSGRDPCXSA-N 2 1 327.472 3.762 20 0 EHADMP CC[N@@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301498316 1026829453 /nfs/dbraw/zinc/82/94/53/1026829453.db2.gz CIFQOMDMMYIDID-UHFFFAOYSA-N 2 1 334.261 3.529 20 0 EHADMP CC[N@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301498316 1026829455 /nfs/dbraw/zinc/82/94/55/1026829455.db2.gz CIFQOMDMMYIDID-UHFFFAOYSA-N 2 1 334.261 3.529 20 0 EHADMP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301528474 1026840413 /nfs/dbraw/zinc/84/04/13/1026840413.db2.gz KBCLNGHWMTVNHV-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301528474 1026840418 /nfs/dbraw/zinc/84/04/18/1026840418.db2.gz KBCLNGHWMTVNHV-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP COc1cccc2c(N(C)C3CC[NH+](C(C)C)CC3)cc(C)[nH+]c12 ZINC000301677857 1026897010 /nfs/dbraw/zinc/89/70/10/1026897010.db2.gz QUITYQLAVSIYNS-UHFFFAOYSA-N 2 1 327.472 3.861 20 0 EHADMP CCOc1cc2[nH+]ccc(NC[C@H]3CCC[N@@H+](C)C3)c2cc1OCC ZINC000301994099 1027017387 /nfs/dbraw/zinc/01/73/87/1027017387.db2.gz RODGFJSMZJEHAV-OAHLLOKOSA-N 2 1 343.471 3.786 20 0 EHADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)C1CC1 ZINC000301998197 1027019163 /nfs/dbraw/zinc/01/91/63/1027019163.db2.gz UOJHMXJYGOHHPE-INIZCTEOSA-N 2 1 334.261 3.749 20 0 EHADMP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4cccc(O)c4)CC3)c2c1 ZINC000302179396 1027081724 /nfs/dbraw/zinc/08/17/24/1027081724.db2.gz YTGOHLXITUJMPG-UHFFFAOYSA-N 2 1 333.435 3.571 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272757832 1027098640 /nfs/dbraw/zinc/09/86/40/1027098640.db2.gz PJPFPWJKEZMKAX-QFBILLFUSA-N 2 1 344.524 3.864 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000531677656 1027201741 /nfs/dbraw/zinc/20/17/41/1027201741.db2.gz FVJVTXDVFBLPQV-PKOBYXMFSA-N 2 1 343.540 3.696 20 0 EHADMP CC[NH+]1CCN(C[C@@H](C)CNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302704648 1027249585 /nfs/dbraw/zinc/24/95/85/1027249585.db2.gz YCCJUQBVPXWXDD-INIZCTEOSA-N 2 1 340.515 3.537 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000513714176 1027260185 /nfs/dbraw/zinc/26/01/85/1027260185.db2.gz ZPZGAJONTOZMCF-ULQDDVLXSA-N 2 1 342.405 3.547 20 0 EHADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)C2)c1 ZINC000501465738 1027293946 /nfs/dbraw/zinc/29/39/46/1027293946.db2.gz GRKNISXKDSQWHV-GIVPXCGWSA-N 2 1 327.516 3.962 20 0 EHADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)C2)c1 ZINC000501465738 1027293953 /nfs/dbraw/zinc/29/39/53/1027293953.db2.gz GRKNISXKDSQWHV-GIVPXCGWSA-N 2 1 327.516 3.962 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncn1 ZINC000453061668 1027315191 /nfs/dbraw/zinc/31/51/91/1027315191.db2.gz LHMPGGUKTJERSR-FGTMMUONSA-N 2 1 338.499 3.805 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncn1 ZINC000453061668 1027315208 /nfs/dbraw/zinc/31/52/08/1027315208.db2.gz LHMPGGUKTJERSR-FGTMMUONSA-N 2 1 338.499 3.805 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453088777 1027349663 /nfs/dbraw/zinc/34/96/63/1027349663.db2.gz OEBDKCRAKOZGBO-KRWDZBQOSA-N 2 1 348.288 3.565 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453142362 1027450116 /nfs/dbraw/zinc/45/01/16/1027450116.db2.gz DDERFAOHEUNDHC-KCLUMXDGSA-N 2 1 344.543 3.816 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](c1ccccc1)C2 ZINC000420299182 1027450316 /nfs/dbraw/zinc/45/03/16/1027450316.db2.gz IFLSAKZWIDDYIQ-HTAPYJJXSA-N 2 1 336.479 3.794 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000420304183 1027454304 /nfs/dbraw/zinc/45/43/04/1027454304.db2.gz LERVJVHTPDNFNX-KRWDZBQOSA-N 2 1 328.431 3.541 20 0 EHADMP COc1ccc(CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC(C)C)cc1OC ZINC000420309985 1027456436 /nfs/dbraw/zinc/45/64/36/1027456436.db2.gz UPYALHPSIZFPHN-LJQANCHMSA-N 2 1 348.531 3.594 20 0 EHADMP c1csc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCCC2)c1 ZINC000655728862 1027460049 /nfs/dbraw/zinc/46/00/49/1027460049.db2.gz ZGHWCIBTHQBROW-GOSISDBHSA-N 2 1 348.556 3.793 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2nc(C)cs2)cc1 ZINC000420316223 1027463123 /nfs/dbraw/zinc/46/31/23/1027463123.db2.gz LUBNAJWDDSAYRL-SJLPKXTDSA-N 2 1 345.512 3.730 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2nc(C)cs2)cc1 ZINC000420316223 1027463132 /nfs/dbraw/zinc/46/31/32/1027463132.db2.gz LUBNAJWDDSAYRL-SJLPKXTDSA-N 2 1 345.512 3.730 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000420324984 1027479891 /nfs/dbraw/zinc/47/98/91/1027479891.db2.gz VWWCGQOWTKRGMJ-GHTZIAJQSA-N 2 1 340.467 3.583 20 0 EHADMP C[C@H]([NH2+]CCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000420392405 1027507039 /nfs/dbraw/zinc/50/70/39/1027507039.db2.gz BJYSUJZAGBEPRT-JTQLQIEISA-N 2 1 340.290 3.572 20 0 EHADMP Clc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420403421 1027522913 /nfs/dbraw/zinc/52/29/13/1027522913.db2.gz RJPMZOJKVQWMIO-KXBFYZLASA-N 2 1 345.874 3.959 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420403421 1027522928 /nfs/dbraw/zinc/52/29/28/1027522928.db2.gz RJPMZOJKVQWMIO-KXBFYZLASA-N 2 1 345.874 3.959 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2c(F)cccc2Cl)cc1 ZINC000420412739 1027528378 /nfs/dbraw/zinc/52/83/78/1027528378.db2.gz SPCVUQRXGFVCKX-TZMCWYRMSA-N 2 1 336.838 3.881 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000501774028 1027528594 /nfs/dbraw/zinc/52/85/94/1027528594.db2.gz ILJUKNHSBKKGHT-NRFANRHFSA-N 2 1 348.506 3.883 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657595799 1027572390 /nfs/dbraw/zinc/57/23/90/1027572390.db2.gz KBWLGHWKVCMQFI-LJQANCHMSA-N 2 1 344.886 3.505 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cnn(-c3ccc(Cl)cc3)c2)[C@H](C)C1 ZINC000130477531 1027672324 /nfs/dbraw/zinc/67/23/24/1027672324.db2.gz CKGHLYQHSBUMPS-BEFAXECRSA-N 2 1 346.906 3.688 20 0 EHADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000130633373 1027689737 /nfs/dbraw/zinc/68/97/37/1027689737.db2.gz MWQXDPKLWZKWFK-LPHOPBHVSA-N 2 1 331.504 3.586 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc3nccn32)CC1)CC1CC1 ZINC000342860433 1027694661 /nfs/dbraw/zinc/69/46/61/1027694661.db2.gz JNGNQFPUSXRAAL-UHFFFAOYSA-N 2 1 340.515 3.668 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459338924 1027729411 /nfs/dbraw/zinc/72/94/11/1027729411.db2.gz BRLZSGARNASVBD-QGZVFWFLSA-N 2 1 342.531 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000414664103 1027757532 /nfs/dbraw/zinc/75/75/32/1027757532.db2.gz TUCSKBXMIFLBOI-QRWLVFNGSA-N 2 1 328.431 3.574 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)cc1 ZINC000422564977 1027791869 /nfs/dbraw/zinc/79/18/69/1027791869.db2.gz XGKXMRCRZOPPJA-DZKIICNBSA-N 2 1 345.512 3.624 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)cc1 ZINC000422564977 1027791883 /nfs/dbraw/zinc/79/18/83/1027791883.db2.gz XGKXMRCRZOPPJA-DZKIICNBSA-N 2 1 345.512 3.624 20 0 EHADMP C[C@@H]1CSCC[NH+](CCCCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000249140435 1027839870 /nfs/dbraw/zinc/83/98/70/1027839870.db2.gz ZIQINFVOOULARJ-IRXDYDNUSA-N 2 1 330.607 3.527 20 0 EHADMP C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261831699 1027865746 /nfs/dbraw/zinc/86/57/46/1027865746.db2.gz JEMIQNRNSUURSM-VBKZILBWSA-N 2 1 330.422 3.766 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C)c1 ZINC000414682213 1027871290 /nfs/dbraw/zinc/87/12/90/1027871290.db2.gz YCYRQQJOHIHWID-JKSUJKDBSA-N 2 1 334.504 3.692 20 0 EHADMP Fc1cccc(Oc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)c1 ZINC000339065918 1027890700 /nfs/dbraw/zinc/89/07/00/1027890700.db2.gz DUBSWLKNRRECCW-MSOLQXFVSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)c1 ZINC000339065918 1027890714 /nfs/dbraw/zinc/89/07/14/1027890714.db2.gz DUBSWLKNRRECCW-MSOLQXFVSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)c1 ZINC000339065918 1027890730 /nfs/dbraw/zinc/89/07/30/1027890730.db2.gz DUBSWLKNRRECCW-MSOLQXFVSA-N 2 1 341.430 3.729 20 0 EHADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000339065356 1027891363 /nfs/dbraw/zinc/89/13/63/1027891363.db2.gz AGMGJSRWNCEAKF-VXKWHMMOSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000339065356 1027891390 /nfs/dbraw/zinc/89/13/90/1027891390.db2.gz AGMGJSRWNCEAKF-VXKWHMMOSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCCC2)c1 ZINC000339065356 1027891408 /nfs/dbraw/zinc/89/14/08/1027891408.db2.gz AGMGJSRWNCEAKF-VXKWHMMOSA-N 2 1 341.543 3.779 20 0 EHADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736316 1027903729 /nfs/dbraw/zinc/90/37/29/1027903729.db2.gz VXBORDVOVFSWCB-IJXRJRJASA-N 2 1 329.532 3.626 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000422744888 1027909768 /nfs/dbraw/zinc/90/97/68/1027909768.db2.gz WSIKXWVOEDSSNQ-HNNXBMFYSA-N 2 1 325.456 3.665 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422784562 1027939177 /nfs/dbraw/zinc/93/91/77/1027939177.db2.gz IUCIMEIVQHPBCH-BHIFYINESA-N 2 1 341.543 3.683 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422876076 1028007746 /nfs/dbraw/zinc/00/77/46/1028007746.db2.gz FYOLFNCULIFIMT-OPYAIIAOSA-N 3 1 329.532 3.539 20 0 EHADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1c[nH+]ccc1N ZINC000422883547 1028021172 /nfs/dbraw/zinc/02/11/72/1028021172.db2.gz QSAOQVPSSFRYKQ-SJORKVTESA-N 2 1 338.499 3.719 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422914645 1028050353 /nfs/dbraw/zinc/05/03/53/1028050353.db2.gz VHXDHOCKNIPJKX-BHIFYINESA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422914645 1028050366 /nfs/dbraw/zinc/05/03/66/1028050366.db2.gz VHXDHOCKNIPJKX-BHIFYINESA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422914645 1028050382 /nfs/dbraw/zinc/05/03/82/1028050382.db2.gz VHXDHOCKNIPJKX-BHIFYINESA-N 2 1 343.559 3.927 20 0 EHADMP CC1CC[NH+](C2CCC([NH2+]Cc3ccc4nc[nH]c4c3)CC2)CC1 ZINC000533563454 1028087682 /nfs/dbraw/zinc/08/76/82/1028087682.db2.gz PGBWZVXJOVVALM-UHFFFAOYSA-N 2 1 326.488 3.696 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004396 1028119112 /nfs/dbraw/zinc/11/91/12/1028119112.db2.gz OWLOFJUNKRSGSL-HZPDHXFCSA-N 2 1 330.394 3.515 20 0 EHADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000423046002 1028152202 /nfs/dbraw/zinc/15/22/02/1028152202.db2.gz DSLLLLWNSJBDIO-LZWOXQAQSA-N 2 1 329.513 3.631 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423064597 1028159272 /nfs/dbraw/zinc/15/92/72/1028159272.db2.gz RZEAHLDPMNMMJU-YPAWHYETSA-N 2 1 335.495 3.631 20 0 EHADMP CC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000414714007 1028165362 /nfs/dbraw/zinc/16/53/62/1028165362.db2.gz LEKQQIJPCGSSBC-ZDUSSCGKSA-N 2 1 332.822 3.905 20 0 EHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104314 1028195417 /nfs/dbraw/zinc/19/54/17/1028195417.db2.gz YGGGFYGOUDMWEI-SFNSOECISA-N 2 1 330.422 3.759 20 0 EHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCNCc1cccnc1 ZINC000423184856 1028230578 /nfs/dbraw/zinc/23/05/78/1028230578.db2.gz ITBMNGCSAQCMFR-OAHLLOKOSA-N 2 1 347.890 3.964 20 0 EHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184856 1028230594 /nfs/dbraw/zinc/23/05/94/1028230594.db2.gz ITBMNGCSAQCMFR-OAHLLOKOSA-N 2 1 347.890 3.964 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1F ZINC000423184064 1028230703 /nfs/dbraw/zinc/23/07/03/1028230703.db2.gz HQQVXENMJLPLPE-AWEZNQCLSA-N 2 1 333.476 3.773 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423194184 1028263680 /nfs/dbraw/zinc/26/36/80/1028263680.db2.gz YIGMQDOGEDWDOT-WOJBJXKFSA-N 2 1 338.499 3.581 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161772610 1028277346 /nfs/dbraw/zinc/27/73/46/1028277346.db2.gz JIRKOGMUZQCLKS-OAHLLOKOSA-N 2 1 341.455 3.517 20 0 EHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423282615 1028323694 /nfs/dbraw/zinc/32/36/94/1028323694.db2.gz CYAKMCNABGAQQX-NSHDSACASA-N 2 1 329.282 3.626 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459372988 1028333599 /nfs/dbraw/zinc/33/35/99/1028333599.db2.gz LWYWCWRWPCWKDY-UHFFFAOYSA-N 2 1 346.506 3.882 20 0 EHADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423318142 1028350383 /nfs/dbraw/zinc/35/03/83/1028350383.db2.gz CEAJIGGYASXKIZ-XHDPSFHLSA-N 2 1 329.257 3.629 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423304780 1028359102 /nfs/dbraw/zinc/35/91/02/1028359102.db2.gz ZLJMAGVLFDGMJV-BXUZGUMPSA-N 2 1 331.273 3.626 20 0 EHADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423321901 1028360073 /nfs/dbraw/zinc/36/00/73/1028360073.db2.gz IBEUTUUILCIKHN-LJQANCHMSA-N 2 1 328.431 3.589 20 0 EHADMP Cc1ccc(C(=O)CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000161920190 1028360406 /nfs/dbraw/zinc/36/04/06/1028360406.db2.gz ISLHGJSHPMLAJZ-HKUYNNGSSA-N 2 1 328.500 3.810 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161970431 1028383398 /nfs/dbraw/zinc/38/33/98/1028383398.db2.gz XGQARUXWWMEGSB-NSHDSACASA-N 2 1 329.341 3.775 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC[NH2+]1 ZINC000423368756 1028395088 /nfs/dbraw/zinc/39/50/88/1028395088.db2.gz FMPBYGFIZWVNIF-UHIISALHSA-N 2 1 329.271 3.937 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC[NH2+]1 ZINC000423368753 1028395537 /nfs/dbraw/zinc/39/55/37/1028395537.db2.gz FMPBYGFIZWVNIF-GYSYKLTISA-N 2 1 329.271 3.937 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466280 1028452933 /nfs/dbraw/zinc/45/29/33/1028452933.db2.gz NFYAFYFEPFGDBV-ZFWWWQNUSA-N 2 1 331.485 3.523 20 0 EHADMP CC1(C)CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000423508914 1028471707 /nfs/dbraw/zinc/47/17/07/1028471707.db2.gz LQISFYZBLVSNJH-NGICGMGXSA-N 2 1 341.543 3.605 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cnn1-c1cc(C)ccc1C ZINC000423529961 1028485860 /nfs/dbraw/zinc/48/58/60/1028485860.db2.gz QTEGUYAYLVASBZ-MRXNPFEDSA-N 2 1 326.488 3.590 20 0 EHADMP CSC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423546485 1028510526 /nfs/dbraw/zinc/51/05/26/1028510526.db2.gz FINSKJGWZZXDST-HNNXBMFYSA-N 2 1 332.435 3.841 20 0 EHADMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCCC(C)C ZINC000414750558 1028514173 /nfs/dbraw/zinc/51/41/73/1028514173.db2.gz LWURNIYSVIJZJG-SFHVURJKSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135650 1028583510 /nfs/dbraw/zinc/58/35/10/1028583510.db2.gz PPXOYGNRAPVVOA-DOTOQJQBSA-N 2 1 329.875 3.908 20 0 EHADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000414761091 1028606937 /nfs/dbraw/zinc/60/69/37/1028606937.db2.gz RZYSMTUDXDUFFI-RCCFBDPRSA-N 2 1 331.504 3.504 20 0 EHADMP Cc1nccn1CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246624973 1028669586 /nfs/dbraw/zinc/66/95/86/1028669586.db2.gz QVXSMOMHAFGAEW-UYAOXDASSA-N 3 1 332.536 3.558 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624973 1028669594 /nfs/dbraw/zinc/66/95/94/1028669594.db2.gz QVXSMOMHAFGAEW-UYAOXDASSA-N 3 1 332.536 3.558 20 0 EHADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624973 1028669603 /nfs/dbraw/zinc/66/96/03/1028669603.db2.gz QVXSMOMHAFGAEW-UYAOXDASSA-N 3 1 332.536 3.558 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624973 1028669639 /nfs/dbraw/zinc/66/96/39/1028669639.db2.gz QVXSMOMHAFGAEW-UYAOXDASSA-N 3 1 332.536 3.558 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246624973 1028669644 /nfs/dbraw/zinc/66/96/44/1028669644.db2.gz QVXSMOMHAFGAEW-UYAOXDASSA-N 3 1 332.536 3.558 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414763623 1028669793 /nfs/dbraw/zinc/66/97/93/1028669793.db2.gz CVJJITJTQUNACA-LRPZFHPXSA-N 2 1 348.490 3.820 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414763623 1028669800 /nfs/dbraw/zinc/66/98/00/1028669800.db2.gz CVJJITJTQUNACA-LRPZFHPXSA-N 2 1 348.490 3.820 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771629 1028764698 /nfs/dbraw/zinc/76/46/98/1028764698.db2.gz ABTLGFYYRYZTRV-DLBZAZTESA-N 2 1 327.497 3.632 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771636 1028765133 /nfs/dbraw/zinc/76/51/33/1028765133.db2.gz ABTLGFYYRYZTRV-SJORKVTESA-N 2 1 327.497 3.632 20 0 EHADMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC000414773988 1028797051 /nfs/dbraw/zinc/79/70/51/1028797051.db2.gz FAYFIDQPLHFQKU-KGLIPLIRSA-N 2 1 330.369 3.666 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826339 1028815716 /nfs/dbraw/zinc/81/57/16/1028815716.db2.gz RXMWDNRSGOASCL-MGPUTAFESA-N 2 1 334.479 3.995 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)c(F)c1 ZINC000421826339 1028815730 /nfs/dbraw/zinc/81/57/30/1028815730.db2.gz RXMWDNRSGOASCL-MGPUTAFESA-N 2 1 334.479 3.995 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccncc1Cl ZINC000421827420 1028815963 /nfs/dbraw/zinc/81/59/63/1028815963.db2.gz XOVDOHYGUNAORW-AWEZNQCLSA-N 2 1 333.863 3.526 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000421858507 1028852670 /nfs/dbraw/zinc/85/26/70/1028852670.db2.gz RFLKNIGOAPPSDD-LSDHHAIUSA-N 2 1 342.886 3.501 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000421858507 1028852686 /nfs/dbraw/zinc/85/26/86/1028852686.db2.gz RFLKNIGOAPPSDD-LSDHHAIUSA-N 2 1 342.886 3.501 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245566315 1028854876 /nfs/dbraw/zinc/85/48/76/1028854876.db2.gz QKQHWURJQSVHRV-JKSUJKDBSA-N 2 1 347.528 3.523 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000248439692 1028905128 /nfs/dbraw/zinc/90/51/28/1028905128.db2.gz IVHJOJQASVCDLJ-HNAYVOBHSA-N 2 1 344.524 3.782 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248449283 1028907062 /nfs/dbraw/zinc/90/70/62/1028907062.db2.gz OLPDQBYWUNLKKQ-YJBOKZPZSA-N 2 1 330.497 3.556 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccsc3)n1)CC[NH2+]CC2 ZINC000424295905 1028938900 /nfs/dbraw/zinc/93/89/00/1028938900.db2.gz RPQZGHJDWCKDLT-ZDUSSCGKSA-N 2 1 333.526 3.836 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000502980588 1028941531 /nfs/dbraw/zinc/94/15/31/1028941531.db2.gz LMRWNNQEKIDLQH-DVOMOZLQSA-N 2 1 325.294 3.625 20 0 EHADMP CCc1csc([C@@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275978 1028947961 /nfs/dbraw/zinc/94/79/61/1028947961.db2.gz BKGFOQUGHRPXDQ-CVEARBPZSA-N 2 1 347.503 3.767 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000249161569 1028993765 /nfs/dbraw/zinc/99/37/65/1028993765.db2.gz ZXXFLIBFFUEHGT-PYCJISIWSA-N 2 1 342.527 3.692 20 0 EHADMP CCOc1ccc([C@H](CC)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000271823927 1029188444 /nfs/dbraw/zinc/18/84/44/1029188444.db2.gz CUBUTUUHXVNIDJ-SFHVURJKSA-N 2 1 332.488 3.787 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897534555 1029414116 /nfs/dbraw/zinc/41/41/16/1029414116.db2.gz XJAASMRELHPDJW-XMGTWHOFSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897534555 1029414127 /nfs/dbraw/zinc/41/41/27/1029414127.db2.gz XJAASMRELHPDJW-XMGTWHOFSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897534553 1029414806 /nfs/dbraw/zinc/41/48/06/1029414806.db2.gz XJAASMRELHPDJW-NPDDRXJXSA-N 2 1 342.527 3.885 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897534553 1029414814 /nfs/dbraw/zinc/41/48/14/1029414814.db2.gz XJAASMRELHPDJW-NPDDRXJXSA-N 2 1 342.527 3.885 20 0 EHADMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459385005 1029440619 /nfs/dbraw/zinc/44/06/19/1029440619.db2.gz FAPUGCDGZTZATC-SFHVURJKSA-N 2 1 336.426 3.882 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000272494650 1029482727 /nfs/dbraw/zinc/48/27/27/1029482727.db2.gz KRCXGXHUZKAERI-QGZVFWFLSA-N 2 1 336.479 3.583 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272608613 1029532575 /nfs/dbraw/zinc/53/25/75/1029532575.db2.gz ZPKJLHKBBFBVFU-DOTOQJQBSA-N 2 1 329.875 3.735 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608613 1029532584 /nfs/dbraw/zinc/53/25/84/1029532584.db2.gz ZPKJLHKBBFBVFU-DOTOQJQBSA-N 2 1 329.875 3.735 20 0 EHADMP Cc1cc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000261942935 1029533941 /nfs/dbraw/zinc/53/39/41/1029533941.db2.gz DXJHNPBCAXKUJD-QGZVFWFLSA-N 2 1 344.421 3.676 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCC[C@H](C)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261982260 1029545987 /nfs/dbraw/zinc/54/59/87/1029545987.db2.gz RLBJAMNDBIUBSV-IPMKNSEASA-N 2 1 344.547 3.673 20 0 EHADMP Brc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)s1 ZINC000262005248 1029550740 /nfs/dbraw/zinc/55/07/40/1029550740.db2.gz UNZAZMAOIOPZRC-GFCCVEGCSA-N 2 1 329.307 3.647 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663497 1029556831 /nfs/dbraw/zinc/55/68/31/1029556831.db2.gz ILTXTJAVTSJBOU-KGVIQGDOSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663497 1029556838 /nfs/dbraw/zinc/55/68/38/1029556838.db2.gz ILTXTJAVTSJBOU-KGVIQGDOSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@@H]([NH2+]CC1(CCO)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272679898 1029563505 /nfs/dbraw/zinc/56/35/05/1029563505.db2.gz SAKHWFTUOMCHMK-TZIWHRDSSA-N 2 1 344.543 3.820 20 0 EHADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272724598 1029580418 /nfs/dbraw/zinc/58/04/18/1029580418.db2.gz YIIQZTILJHCOMJ-GUXCAODWSA-N 2 1 328.500 3.925 20 0 EHADMP Fc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000655764207 1029671171 /nfs/dbraw/zinc/67/11/71/1029671171.db2.gz DYSWMOWRVQBAGX-UIFIKXQLSA-N 2 1 346.490 3.695 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)s2)o1 ZINC000343195011 1029707068 /nfs/dbraw/zinc/70/70/68/1029707068.db2.gz ZJTVDPBKRUDXIC-GFCCVEGCSA-N 2 1 330.457 3.642 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693164 1029738290 /nfs/dbraw/zinc/73/82/90/1029738290.db2.gz CIGXWQQSWXOBPN-RLLQIKCJSA-N 2 1 332.532 3.530 20 0 EHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710649 1029780512 /nfs/dbraw/zinc/78/05/12/1029780512.db2.gz NBVXWHDOAVIUJJ-SESVDKBCSA-N 3 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710649 1029780514 /nfs/dbraw/zinc/78/05/14/1029780514.db2.gz NBVXWHDOAVIUJJ-SESVDKBCSA-N 2 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710649 1029780515 /nfs/dbraw/zinc/78/05/15/1029780515.db2.gz NBVXWHDOAVIUJJ-SESVDKBCSA-N 2 1 345.575 3.853 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717343 1029797215 /nfs/dbraw/zinc/79/72/15/1029797215.db2.gz LOLOIOANCQULQB-AZUAARDMSA-N 2 1 332.532 3.818 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000274311490 1029839708 /nfs/dbraw/zinc/83/97/08/1029839708.db2.gz VIAZZXNNYIBKGW-RZXSNQJFSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000274311490 1029839716 /nfs/dbraw/zinc/83/97/16/1029839716.db2.gz VIAZZXNNYIBKGW-RZXSNQJFSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000481735934 1029895630 /nfs/dbraw/zinc/89/56/30/1029895630.db2.gz BEFBKUXQDAQRGB-DZGCQCFKSA-N 2 1 325.294 3.638 20 0 EHADMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000481735936 1029896380 /nfs/dbraw/zinc/89/63/80/1029896380.db2.gz BEFBKUXQDAQRGB-UKRRQHHQSA-N 2 1 325.294 3.638 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000650708077 1030008088 /nfs/dbraw/zinc/00/80/88/1030008088.db2.gz STJIAODREHJTCY-PMUMKWKESA-N 2 1 348.874 3.805 20 0 EHADMP CCSc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707908 1030008305 /nfs/dbraw/zinc/00/83/05/1030008305.db2.gz PYOBAHBIAYJACR-JENIJYKNSA-N 2 1 334.529 3.517 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708425 1030027629 /nfs/dbraw/zinc/02/76/29/1030027629.db2.gz ZJZGWUDYCQNYTR-TXPKVOOTSA-N 2 1 336.907 3.621 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000453328489 1030060556 /nfs/dbraw/zinc/06/05/56/1030060556.db2.gz UAIBEOBSXYPKQK-RKWALKOESA-N 2 1 337.305 3.781 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928145 1030127289 /nfs/dbraw/zinc/12/72/89/1030127289.db2.gz QXJXDYPRQNTUQI-HUUCEWRRSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000361324406 1030137707 /nfs/dbraw/zinc/13/77/07/1030137707.db2.gz NLMNDVNENHKVRV-IBGZPJMESA-N 2 1 342.531 3.789 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000361324406 1030137719 /nfs/dbraw/zinc/13/77/19/1030137719.db2.gz NLMNDVNENHKVRV-IBGZPJMESA-N 2 1 342.531 3.789 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000361324406 1030137734 /nfs/dbraw/zinc/13/77/34/1030137734.db2.gz NLMNDVNENHKVRV-IBGZPJMESA-N 2 1 342.531 3.789 20 0 EHADMP CCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000453361479 1030138392 /nfs/dbraw/zinc/13/83/92/1030138392.db2.gz KCRLFIKNLBQPIA-PCCBWWKXSA-N 2 1 342.527 3.693 20 0 EHADMP COCC(C)(C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772129 1030188132 /nfs/dbraw/zinc/18/81/32/1030188132.db2.gz KAKQVPOXNYTEBO-IBGZPJMESA-N 2 1 330.516 3.551 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482119141 1030220477 /nfs/dbraw/zinc/22/04/77/1030220477.db2.gz HZHZKMXSQVKKCD-NEPJUHHUSA-N 2 1 342.270 3.944 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453430725 1030285769 /nfs/dbraw/zinc/28/57/69/1030285769.db2.gz RFVQLYNPOMBHFN-IHPCNDPISA-N 2 1 330.516 3.692 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Br)cc1F)C1CC1 ZINC000453598750 1030359730 /nfs/dbraw/zinc/35/97/30/1030359730.db2.gz QEZJMZRPJYEEPR-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000453576572 1030368317 /nfs/dbraw/zinc/36/83/17/1030368317.db2.gz VXJPDKYBSBGJAU-YHWZYXNKSA-N 2 1 343.334 3.924 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000453576572 1030368327 /nfs/dbraw/zinc/36/83/27/1030368327.db2.gz VXJPDKYBSBGJAU-YHWZYXNKSA-N 2 1 343.334 3.924 20 0 EHADMP C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482621684 1030585462 /nfs/dbraw/zinc/58/54/62/1030585462.db2.gz SVENCORCLVQFLI-FHWLQOOXSA-N 2 1 347.547 3.541 20 0 EHADMP C[N@H+]1Cc2ccccc2[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000360055260 1030722910 /nfs/dbraw/zinc/72/29/10/1030722910.db2.gz GVRDXZKAWACIEZ-OAQYLSRUSA-N 2 1 327.516 3.560 20 0 EHADMP C[N@@H+]1Cc2ccccc2[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000360055260 1030722929 /nfs/dbraw/zinc/72/29/29/1030722929.db2.gz GVRDXZKAWACIEZ-OAQYLSRUSA-N 2 1 327.516 3.560 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000550895984 1030776884 /nfs/dbraw/zinc/77/68/84/1030776884.db2.gz SLEDLWOKHBHXJP-COPCDDAFSA-N 2 1 344.543 3.675 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508788331 1030849048 /nfs/dbraw/zinc/84/90/48/1030849048.db2.gz FHEUFHVEJGHTFT-BIRYMOPTSA-N 2 1 330.516 3.900 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508788331 1030849059 /nfs/dbraw/zinc/84/90/59/1030849059.db2.gz FHEUFHVEJGHTFT-BIRYMOPTSA-N 2 1 330.516 3.900 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000123044902 1030877345 /nfs/dbraw/zinc/87/73/45/1030877345.db2.gz UCVWJOUXBVYQDU-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000123044902 1030877348 /nfs/dbraw/zinc/87/73/48/1030877348.db2.gz UCVWJOUXBVYQDU-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044902 1030877366 /nfs/dbraw/zinc/87/73/66/1030877366.db2.gz UCVWJOUXBVYQDU-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044902 1030877387 /nfs/dbraw/zinc/87/73/87/1030877387.db2.gz UCVWJOUXBVYQDU-JSGCOSHPSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000551009952 1030909581 /nfs/dbraw/zinc/90/95/81/1030909581.db2.gz XRMMPOQCOOJLPU-RMVXJAJNSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000551009952 1030909600 /nfs/dbraw/zinc/90/96/00/1030909600.db2.gz XRMMPOQCOOJLPU-RMVXJAJNSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000551009952 1030909616 /nfs/dbraw/zinc/90/96/16/1030909616.db2.gz XRMMPOQCOOJLPU-RMVXJAJNSA-N 2 1 329.532 3.532 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000483260933 1031072970 /nfs/dbraw/zinc/07/29/70/1031072970.db2.gz QPKWAEMXOZNUEO-UHFFFAOYSA-N 2 1 344.952 3.972 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@H](C)C1 ZINC000527662439 1031088298 /nfs/dbraw/zinc/08/82/98/1031088298.db2.gz QKQRFTCGYJSHII-HZPDHXFCSA-N 2 1 334.495 3.785 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527655216 1031115188 /nfs/dbraw/zinc/11/51/88/1031115188.db2.gz ZZODMRFOQDRMEZ-YADHBBJMSA-N 2 1 343.559 3.720 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483481625 1031189472 /nfs/dbraw/zinc/18/94/72/1031189472.db2.gz PVKLCOKUKUWHGC-KEYYUXOJSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483481625 1031189477 /nfs/dbraw/zinc/18/94/77/1031189477.db2.gz PVKLCOKUKUWHGC-KEYYUXOJSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483481625 1031189482 /nfs/dbraw/zinc/18/94/82/1031189482.db2.gz PVKLCOKUKUWHGC-KEYYUXOJSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483481625 1031189488 /nfs/dbraw/zinc/18/94/88/1031189488.db2.gz PVKLCOKUKUWHGC-KEYYUXOJSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515527 1031199638 /nfs/dbraw/zinc/19/96/38/1031199638.db2.gz QETNXAXLKGZROJ-MBSDFSHPSA-N 2 1 349.522 3.772 20 0 EHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001279642264 1031225787 /nfs/dbraw/zinc/22/57/87/1031225787.db2.gz GWDAIZHUWJWPBG-SFHVURJKSA-N 2 1 336.564 3.904 20 0 EHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001279642264 1031225799 /nfs/dbraw/zinc/22/57/99/1031225799.db2.gz GWDAIZHUWJWPBG-SFHVURJKSA-N 2 1 336.564 3.904 20 0 EHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc(Cl)c(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279643264 1031267689 /nfs/dbraw/zinc/26/76/89/1031267689.db2.gz PCTCPGUBYNXKGA-BETUJISGSA-N 2 1 347.812 3.527 20 0 EHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(Cl)c(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279643264 1031267696 /nfs/dbraw/zinc/26/76/96/1031267696.db2.gz PCTCPGUBYNXKGA-BETUJISGSA-N 2 1 347.812 3.527 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(Cl)c(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279643264 1031267701 /nfs/dbraw/zinc/26/77/01/1031267701.db2.gz PCTCPGUBYNXKGA-BETUJISGSA-N 2 1 347.812 3.527 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(Cl)c(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279643264 1031267711 /nfs/dbraw/zinc/26/77/11/1031267711.db2.gz PCTCPGUBYNXKGA-BETUJISGSA-N 2 1 347.812 3.527 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000565697225 1031345893 /nfs/dbraw/zinc/34/58/93/1031345893.db2.gz GHYZGSXNLMPIGM-LXGFNABISA-N 2 1 330.516 3.964 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000484125350 1031458977 /nfs/dbraw/zinc/45/89/77/1031458977.db2.gz BNQCRYYFGJVTEJ-NLWGTHIKSA-N 2 1 331.548 3.826 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528014413 1031568534 /nfs/dbraw/zinc/56/85/34/1031568534.db2.gz VGDSNHFEYTZCOF-DUXKGJEZSA-N 2 1 333.564 3.636 20 0 EHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178035017 1031608101 /nfs/dbraw/zinc/60/81/01/1031608101.db2.gz FVTXVNZYOXRCJF-NSHGMRRFSA-N 2 1 346.515 3.688 20 0 EHADMP C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000528034913 1031612649 /nfs/dbraw/zinc/61/26/49/1031612649.db2.gz BUXMEYUGOVKISA-GJZGRUSLSA-N 2 1 331.435 3.573 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000584081091 1031673673 /nfs/dbraw/zinc/67/36/73/1031673673.db2.gz HSNDLRNOPSYCPM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(Br)c1 ZINC000584081091 1031673675 /nfs/dbraw/zinc/67/36/75/1031673675.db2.gz HSNDLRNOPSYCPM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000584081091 1031673676 /nfs/dbraw/zinc/67/36/76/1031673676.db2.gz HSNDLRNOPSYCPM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000584081091 1031673679 /nfs/dbraw/zinc/67/36/79/1031673679.db2.gz HSNDLRNOPSYCPM-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313773 1031939572 /nfs/dbraw/zinc/93/95/72/1031939572.db2.gz JWSWSCRVAZPXHQ-FQEVSTJZSA-N 2 1 327.472 3.596 20 0 EHADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000904338149 1031942103 /nfs/dbraw/zinc/94/21/03/1031942103.db2.gz NJUIYHFXLNAYAL-SUHUHFCYSA-N 2 1 341.318 3.655 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)c1 ZINC000182062632 1032056971 /nfs/dbraw/zinc/05/69/71/1032056971.db2.gz XTXIEPSODGOIEV-MRXNPFEDSA-N 2 1 339.483 3.948 20 0 EHADMP Cc1cccc2c1ccnc2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000574568351 1033301071 /nfs/dbraw/zinc/30/10/71/1033301071.db2.gz JWWGMNGJJZCLLB-LJQANCHMSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1cccc2c1cc[nH+]c2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000574568351 1033301085 /nfs/dbraw/zinc/30/10/85/1033301085.db2.gz JWWGMNGJJZCLLB-LJQANCHMSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1cccc2c1cc[nH+]c2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000574568351 1033301100 /nfs/dbraw/zinc/30/11/00/1033301100.db2.gz JWWGMNGJJZCLLB-LJQANCHMSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458060 1033348335 /nfs/dbraw/zinc/34/83/35/1033348335.db2.gz ZPPDTLGCDNMYGF-LJQANCHMSA-N 2 1 349.950 3.557 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000044532844 1033508488 /nfs/dbraw/zinc/50/84/88/1033508488.db2.gz UIUXHUNHOMSXHM-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(=O)OC(C)(C)C ZINC000595001773 1033628821 /nfs/dbraw/zinc/62/88/21/1033628821.db2.gz YNEKZSMLUGVOHV-BZSNNMDCSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000595038256 1033658157 /nfs/dbraw/zinc/65/81/57/1033658157.db2.gz IBZDLHYEQMKJKC-AEFFLSMTSA-N 2 1 338.536 3.968 20 0 EHADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000595038256 1033658165 /nfs/dbraw/zinc/65/81/65/1033658165.db2.gz IBZDLHYEQMKJKC-AEFFLSMTSA-N 2 1 338.536 3.968 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657933718 1033684317 /nfs/dbraw/zinc/68/43/17/1033684317.db2.gz UPSPTOBKOUHCQP-SJLPKXTDSA-N 2 1 336.470 3.965 20 0 EHADMP CC(C[NH+]1CCS[C@@H](C(C)C)C1)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000608577869 1033774068 /nfs/dbraw/zinc/77/40/68/1033774068.db2.gz YTVHXIIDQVKUJB-QZTJIDSGSA-N 2 1 344.634 3.769 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191694281 1033777077 /nfs/dbraw/zinc/77/70/77/1033777077.db2.gz NALKDKIAAJLRQI-SECBINFHSA-N 2 1 337.714 3.595 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191694281 1033777088 /nfs/dbraw/zinc/77/70/88/1033777088.db2.gz NALKDKIAAJLRQI-SECBINFHSA-N 2 1 337.714 3.595 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1Cl ZINC000658143255 1033989160 /nfs/dbraw/zinc/98/91/60/1033989160.db2.gz GUBYRJYYFHUZFW-CRAIPNDOSA-N 2 1 344.886 3.757 20 0 EHADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000119103165 1034084639 /nfs/dbraw/zinc/08/46/39/1034084639.db2.gz OSQWAHOSEMGGSJ-CYBMUJFWSA-N 2 1 346.441 3.589 20 0 EHADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000658315589 1034191183 /nfs/dbraw/zinc/19/11/83/1034191183.db2.gz NMXCTTOVMAGFOW-JRGCBEDISA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000658317001 1034192121 /nfs/dbraw/zinc/19/21/21/1034192121.db2.gz UONUWFLVWXHVBC-KJJMTIBFSA-N 2 1 342.527 3.977 20 0 EHADMP Cc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846823 1034305208 /nfs/dbraw/zinc/30/52/08/1034305208.db2.gz GSHSIVZMBWZUSJ-VXGBXAGGSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846823 1034305222 /nfs/dbraw/zinc/30/52/22/1034305222.db2.gz GSHSIVZMBWZUSJ-VXGBXAGGSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1sc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846823 1034305204 /nfs/dbraw/zinc/30/52/04/1034305204.db2.gz GSHSIVZMBWZUSJ-VXGBXAGGSA-N 2 1 329.307 3.535 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@H](C)C1 ZINC000450763604 1034757309 /nfs/dbraw/zinc/75/73/09/1034757309.db2.gz UGXADPFBIMAVJK-VHQYGCCJSA-N 2 1 330.516 3.817 20 0 EHADMP CCc1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000450767574 1034762310 /nfs/dbraw/zinc/76/23/10/1034762310.db2.gz VIBASBJFYGGSJL-UTKZUKDTSA-N 2 1 341.499 3.670 20 0 EHADMP CCc1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000450767574 1034762322 /nfs/dbraw/zinc/76/23/22/1034762322.db2.gz VIBASBJFYGGSJL-UTKZUKDTSA-N 2 1 341.499 3.670 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000343823113 1034908345 /nfs/dbraw/zinc/90/83/45/1034908345.db2.gz WZZOFSPZYNAJJQ-UHFFFAOYSA-N 2 1 336.483 3.773 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3nccn3C3CC3)cc2)CC1 ZINC000892507094 1035100638 /nfs/dbraw/zinc/10/06/38/1035100638.db2.gz QXPFKAVLXAYPOY-UHFFFAOYSA-N 2 1 338.499 3.740 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414079520 1035455156 /nfs/dbraw/zinc/45/51/56/1035455156.db2.gz RWQFITYTPFTJIM-INIZCTEOSA-N 2 1 326.488 3.520 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414079520 1035455160 /nfs/dbraw/zinc/45/51/60/1035455160.db2.gz RWQFITYTPFTJIM-INIZCTEOSA-N 2 1 326.488 3.520 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414079520 1035455163 /nfs/dbraw/zinc/45/51/63/1035455163.db2.gz RWQFITYTPFTJIM-INIZCTEOSA-N 2 1 326.488 3.520 20 0 EHADMP Clc1cccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)c1Cl ZINC000571738667 1035635158 /nfs/dbraw/zinc/63/51/58/1035635158.db2.gz BRGLHLZTUUWYAK-UHFFFAOYSA-N 2 1 329.271 3.589 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414126532 1035651268 /nfs/dbraw/zinc/65/12/68/1035651268.db2.gz RLNFLIQDTPKOBV-UYAOXDASSA-N 2 1 349.950 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000414169204 1035865523 /nfs/dbraw/zinc/86/55/23/1035865523.db2.gz AUNHRKCNJKMHIH-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000414176469 1035904294 /nfs/dbraw/zinc/90/42/94/1035904294.db2.gz JAYAGPRVBOIICZ-NVXWUHKLSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000414176473 1035906138 /nfs/dbraw/zinc/90/61/38/1035906138.db2.gz JAYAGPRVBOIICZ-WBVHZDCISA-N 2 1 344.478 3.702 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000414177599 1035912996 /nfs/dbraw/zinc/91/29/96/1035912996.db2.gz JXBWTOLJRVTSCU-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000414186901 1035966963 /nfs/dbraw/zinc/96/69/63/1035966963.db2.gz PQLBSCMVKCALEP-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP COc1cc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000535082962 1035975693 /nfs/dbraw/zinc/97/56/93/1035975693.db2.gz IEJGBYLYKFGBMX-UHFFFAOYSA-N 2 1 334.504 3.564 20 0 EHADMP Brc1ccccc1CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000541283199 1036164946 /nfs/dbraw/zinc/16/49/46/1036164946.db2.gz ZTNHWMHHYVQSIL-HNNXBMFYSA-N 2 1 348.288 3.984 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892585204 1036332064 /nfs/dbraw/zinc/33/20/64/1036332064.db2.gz RGBYQOVFTBZHDS-CYBMUJFWSA-N 2 1 349.466 3.992 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191430494 1036382226 /nfs/dbraw/zinc/38/22/26/1036382226.db2.gz GMGMAMZVUDUTRU-KRWDZBQOSA-N 2 1 347.551 3.510 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000398112340 1036520556 /nfs/dbraw/zinc/52/05/56/1036520556.db2.gz OEJSGUPOMTYXCM-BVOGOJNSSA-N 2 1 342.527 3.834 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000398112340 1036520565 /nfs/dbraw/zinc/52/05/65/1036520565.db2.gz OEJSGUPOMTYXCM-BVOGOJNSSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193138928 1036588974 /nfs/dbraw/zinc/58/89/74/1036588974.db2.gz FDQBFVHTQINBQB-UHFFFAOYSA-N 2 1 347.890 3.609 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)c1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414323333 1036677910 /nfs/dbraw/zinc/67/79/10/1036677910.db2.gz AFVHJFNHIORCMQ-ICSRJNTNSA-N 2 1 337.511 3.859 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916916 1036737985 /nfs/dbraw/zinc/73/79/85/1036737985.db2.gz HEBIZTYQFOJNMT-IAQYHMDHSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916916 1036738005 /nfs/dbraw/zinc/73/80/05/1036738005.db2.gz HEBIZTYQFOJNMT-IAQYHMDHSA-N 2 1 344.286 3.524 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000178255696 1037013823 /nfs/dbraw/zinc/01/38/23/1037013823.db2.gz SKHZPGHFDYTHCD-IBGZPJMESA-N 2 1 336.907 3.806 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000590787064 1037053270 /nfs/dbraw/zinc/05/32/70/1037053270.db2.gz RFWWXEVLIBJKPU-MRXNPFEDSA-N 2 1 342.487 3.850 20 0 EHADMP Cc1ccccc1-c1noc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000590786830 1037057660 /nfs/dbraw/zinc/05/76/60/1037057660.db2.gz OBZXLBYJLWFIIW-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP Cc1ccccc1-c1noc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000590786830 1037057676 /nfs/dbraw/zinc/05/76/76/1037057676.db2.gz OBZXLBYJLWFIIW-UHFFFAOYSA-N 2 1 342.487 3.597 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1)C(C)C ZINC000590810610 1037070320 /nfs/dbraw/zinc/07/03/20/1037070320.db2.gz DGLICNXLRACRGN-HXUWFJFHSA-N 2 1 345.531 3.520 20 0 EHADMP Fc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)sc2c1 ZINC000647543859 1037097862 /nfs/dbraw/zinc/09/78/62/1037097862.db2.gz SZAZVZPOWNDYNB-UONOGXRCSA-N 2 1 333.476 3.647 20 0 EHADMP CC(C)C1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000462657461 1037227097 /nfs/dbraw/zinc/22/70/97/1037227097.db2.gz BFUQKQSPEAPWRV-UHFFFAOYSA-N 2 1 330.516 3.823 20 0 EHADMP Cc1ccsc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000539824047 1037227611 /nfs/dbraw/zinc/22/76/11/1037227611.db2.gz SNPHFOPZLMRWQW-UHFFFAOYSA-N 3 1 349.588 3.685 20 0 EHADMP Cc1ccsc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000539824047 1037227622 /nfs/dbraw/zinc/22/76/22/1037227622.db2.gz SNPHFOPZLMRWQW-UHFFFAOYSA-N 3 1 349.588 3.685 20 0 EHADMP Cc1ccsc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000539824047 1037227635 /nfs/dbraw/zinc/22/76/35/1037227635.db2.gz SNPHFOPZLMRWQW-UHFFFAOYSA-N 3 1 349.588 3.685 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000375643390 1037229242 /nfs/dbraw/zinc/22/92/42/1037229242.db2.gz VGUSWYPTOIKSLX-PCCBWWKXSA-N 2 1 330.516 3.692 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000105876478 1037255403 /nfs/dbraw/zinc/25/54/03/1037255403.db2.gz SFTLUIXMPWPPHA-UHFFFAOYSA-N 2 1 338.430 3.562 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423392435 1037337931 /nfs/dbraw/zinc/33/79/31/1037337931.db2.gz QDEJUKVLBZWOJF-VYDXJSESSA-N 2 1 349.272 3.991 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789262 1037401151 /nfs/dbraw/zinc/40/11/51/1037401151.db2.gz FJBAUOHEWMNVQP-MSOLQXFVSA-N 2 1 332.488 3.604 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000532510033 1037534875 /nfs/dbraw/zinc/53/48/75/1037534875.db2.gz JLURSVOHZHKJIO-IEZWGBDMSA-N 2 1 334.479 3.792 20 0 EHADMP CC(C)(C)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532538691 1037570118 /nfs/dbraw/zinc/57/01/18/1037570118.db2.gz VMGOLUHDJXVZTK-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532538691 1037570130 /nfs/dbraw/zinc/57/01/30/1037570130.db2.gz VMGOLUHDJXVZTK-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532538691 1037570147 /nfs/dbraw/zinc/57/01/47/1037570147.db2.gz VMGOLUHDJXVZTK-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303576568 1037574351 /nfs/dbraw/zinc/57/43/51/1037574351.db2.gz JTZACVSEWDOAOT-PKOBYXMFSA-N 2 1 345.531 3.793 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303576568 1037574360 /nfs/dbraw/zinc/57/43/60/1037574360.db2.gz JTZACVSEWDOAOT-PKOBYXMFSA-N 2 1 345.531 3.793 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000540160941 1037618343 /nfs/dbraw/zinc/61/83/43/1037618343.db2.gz RZSFZRJDGVQCDJ-GBAJDQEWSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000540160941 1037618350 /nfs/dbraw/zinc/61/83/50/1037618350.db2.gz RZSFZRJDGVQCDJ-GBAJDQEWSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cnn1-c1ccccc1 ZINC000760896767 1037691646 /nfs/dbraw/zinc/69/16/46/1037691646.db2.gz JJCKFVXXWMSJEN-QGZVFWFLSA-N 2 1 340.515 3.953 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493884503 1037697473 /nfs/dbraw/zinc/69/74/73/1037697473.db2.gz YGDFDBSWTQHJOD-PELRDEGISA-N 2 1 330.516 3.978 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC000526057654 1037763474 /nfs/dbraw/zinc/76/34/74/1037763474.db2.gz MQNUDOGFHCYQHU-DXIQSLLYSA-N 2 1 344.543 3.518 20 0 EHADMP COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000179437167 1037795691 /nfs/dbraw/zinc/79/56/91/1037795691.db2.gz AFQUFIOXQYUQQM-QAPCUYQASA-N 2 1 334.891 3.797 20 0 EHADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463137863 1037801799 /nfs/dbraw/zinc/80/17/99/1037801799.db2.gz UIKXHXKOFMFLCX-TZIWHRDSSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463274137 1037981429 /nfs/dbraw/zinc/98/14/29/1037981429.db2.gz DBLYZDRHUWKINI-SJBKTWHCSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2COc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000463291979 1038003142 /nfs/dbraw/zinc/00/31/42/1038003142.db2.gz YSLOCICUXDLMSM-MOXGXCLJSA-N 2 1 340.442 3.902 20 0 EHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000123590939 1038041393 /nfs/dbraw/zinc/04/13/93/1038041393.db2.gz HOSWOUKTLYRCSW-INIZCTEOSA-N 2 1 336.439 3.530 20 0 EHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000123590939 1038041412 /nfs/dbraw/zinc/04/14/12/1038041412.db2.gz HOSWOUKTLYRCSW-INIZCTEOSA-N 2 1 336.439 3.530 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2cnc(F)cc2C)c(C)c1 ZINC000893183780 1038305498 /nfs/dbraw/zinc/30/54/98/1038305498.db2.gz PQPJDMYXRICYIP-LJQANCHMSA-N 2 1 338.430 3.874 20 0 EHADMP COc1ccc([C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1OC ZINC000125432710 1038327503 /nfs/dbraw/zinc/32/75/03/1038327503.db2.gz LRIANFHRRNJFKD-GOSISDBHSA-N 2 1 343.471 3.826 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)cc1OC ZINC000125432710 1038327514 /nfs/dbraw/zinc/32/75/14/1038327514.db2.gz LRIANFHRRNJFKD-GOSISDBHSA-N 2 1 343.471 3.826 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000125503222 1038336817 /nfs/dbraw/zinc/33/68/17/1038336817.db2.gz OBDWKGFHKQCVRZ-HXUWFJFHSA-N 2 1 332.536 3.560 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000125503222 1038336830 /nfs/dbraw/zinc/33/68/30/1038336830.db2.gz OBDWKGFHKQCVRZ-HXUWFJFHSA-N 3 1 332.536 3.560 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000125503222 1038336845 /nfs/dbraw/zinc/33/68/45/1038336845.db2.gz OBDWKGFHKQCVRZ-HXUWFJFHSA-N 3 1 332.536 3.560 20 0 EHADMP COc1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538796639 1038531850 /nfs/dbraw/zinc/53/18/50/1038531850.db2.gz OEGULMABQMNXPH-LRDDRELGSA-N 2 1 343.298 3.918 20 0 EHADMP CCc1onc(C)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226455 1038587187 /nfs/dbraw/zinc/58/71/87/1038587187.db2.gz RJZQZJLRGJYYCR-APWZRJJASA-N 2 1 341.499 3.936 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C[C@H](C)O1 ZINC000539071455 1038670191 /nfs/dbraw/zinc/67/01/91/1038670191.db2.gz IIJOBEVJGLQCJY-HRQSHJORSA-N 2 1 348.506 3.941 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000539081455 1038674876 /nfs/dbraw/zinc/67/48/76/1038674876.db2.gz LBHZLYNINDCCFY-FXAWDEMLSA-N 2 1 344.499 3.702 20 0 EHADMP C[C@H]([NH2+]CCCc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378561790 1038721513 /nfs/dbraw/zinc/72/15/13/1038721513.db2.gz PHNGQFPCEUFJFX-FUHWJXTLSA-N 2 1 329.513 3.576 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC[N@@H+]1C ZINC000539217843 1038736483 /nfs/dbraw/zinc/73/64/83/1038736483.db2.gz MTLSWWVIDITVLY-OAUYIBNBSA-N 2 1 337.305 3.973 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC[N@H+]1C ZINC000539217843 1038736486 /nfs/dbraw/zinc/73/64/86/1038736486.db2.gz MTLSWWVIDITVLY-OAUYIBNBSA-N 2 1 337.305 3.973 20 0 EHADMP C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000582053898 1038754720 /nfs/dbraw/zinc/75/47/20/1038754720.db2.gz UEGMAOGJWHQVIR-BDKRGJGYSA-N 2 1 344.543 3.675 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554071446 1038856397 /nfs/dbraw/zinc/85/63/97/1038856397.db2.gz KGPDOMLIWAIASK-ILXRZTDVSA-N 2 1 336.442 3.587 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554071446 1038856420 /nfs/dbraw/zinc/85/64/20/1038856420.db2.gz KGPDOMLIWAIASK-ILXRZTDVSA-N 2 1 336.442 3.587 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000924830245 1038877400 /nfs/dbraw/zinc/87/74/00/1038877400.db2.gz WATUOMGUVUOMBX-RTWAWAEBSA-N 2 1 330.516 3.822 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000093089075 1039007856 /nfs/dbraw/zinc/00/78/56/1039007856.db2.gz VIMDOXSZVKDMAJ-UHFFFAOYSA-N 2 1 339.483 3.956 20 0 EHADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC001207479520 1039072071 /nfs/dbraw/zinc/07/20/71/1039072071.db2.gz JVWYGGZEYZWGRD-UHFFFAOYSA-N 2 1 325.294 3.613 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000480049053 1039078176 /nfs/dbraw/zinc/07/81/76/1039078176.db2.gz UJJDKLUUKGFJLO-UHFFFAOYSA-N 2 1 346.515 3.996 20 0 EHADMP CC(C)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000552246487 1039111742 /nfs/dbraw/zinc/11/17/42/1039111742.db2.gz WDUBAJAHCPGKNF-PWRODBHTSA-N 2 1 330.516 3.726 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000552265141 1039120506 /nfs/dbraw/zinc/12/05/06/1039120506.db2.gz LFVHUGMFPNNJHK-NMLBUPMWSA-N 2 1 330.541 3.772 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518013 1039185590 /nfs/dbraw/zinc/18/55/90/1039185590.db2.gz FZGXCCXAOFUDBP-RZUBCFFCSA-N 2 1 335.495 3.780 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CC1(F)F ZINC000898520007 1039192909 /nfs/dbraw/zinc/19/29/09/1039192909.db2.gz SFKTUTBTRDTZAY-YCVVXREPSA-N 2 1 334.454 3.920 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000924699047 1039258461 /nfs/dbraw/zinc/25/84/61/1039258461.db2.gz SDEYSPAXLHDPSA-QFIPXVFZSA-N 2 1 342.527 3.754 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478230211 1039304250 /nfs/dbraw/zinc/30/42/50/1039304250.db2.gz NGJZHZMJFCFOLY-MSOLQXFVSA-N 2 1 332.488 3.604 20 0 EHADMP Clc1ccc2cccnc2c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584593854 1039350431 /nfs/dbraw/zinc/35/04/31/1039350431.db2.gz OFGYNGJGNQZPPN-HZPDHXFCSA-N 2 1 329.875 3.710 20 0 EHADMP CCn1cc(C[NH2+]CCCCn2cc[nH+]c2C)c(-c2ccccc2)n1 ZINC000641728522 1039415635 /nfs/dbraw/zinc/41/56/35/1039415635.db2.gz BVXFBSMNBATNBK-UHFFFAOYSA-N 2 1 337.471 3.645 20 0 EHADMP C[N@@H+](CCCCOc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000478546182 1039515835 /nfs/dbraw/zinc/51/58/35/1039515835.db2.gz DAIVBGJRRFJSSJ-OAHLLOKOSA-N 2 1 344.421 3.938 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(OCC2CCC2)c1 ZINC001168363035 1039582589 /nfs/dbraw/zinc/58/25/89/1039582589.db2.gz QXLXFSLHTNLVAJ-UHFFFAOYSA-N 2 1 328.500 3.830 20 0 EHADMP CCn1nc(C)c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1C ZINC000345063101 1039590496 /nfs/dbraw/zinc/59/04/96/1039590496.db2.gz UBHZGTMNEFJYOL-HNNXBMFYSA-N 2 1 341.503 3.543 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417303275 1039642283 /nfs/dbraw/zinc/64/22/83/1039642283.db2.gz ADCOCHDUCLYNSI-MDMSPXHWSA-N 2 1 336.545 3.719 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1O ZINC000668587017 1039888621 /nfs/dbraw/zinc/88/86/21/1039888621.db2.gz INUBTPUUINDZAL-AEFFLSMTSA-N 2 1 346.515 3.719 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1O ZINC000668587017 1039888643 /nfs/dbraw/zinc/88/86/43/1039888643.db2.gz INUBTPUUINDZAL-AEFFLSMTSA-N 2 1 346.515 3.719 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310420760 1039959175 /nfs/dbraw/zinc/95/91/75/1039959175.db2.gz YWTZCOKEKTZHRJ-YLJYHZDGSA-N 2 1 326.459 3.868 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1)CC1CC1 ZINC000667757488 1040053877 /nfs/dbraw/zinc/05/38/77/1040053877.db2.gz BBBFOKLMOCFECZ-UHFFFAOYSA-N 2 1 344.547 3.632 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087475 1040064567 /nfs/dbraw/zinc/06/45/67/1040064567.db2.gz ZYENHWNHAORIKM-HNNXBMFYSA-N 2 1 330.497 3.771 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087475 1040064577 /nfs/dbraw/zinc/06/45/77/1040064577.db2.gz ZYENHWNHAORIKM-HNNXBMFYSA-N 2 1 330.497 3.771 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087475 1040064590 /nfs/dbraw/zinc/06/45/90/1040064590.db2.gz ZYENHWNHAORIKM-HNNXBMFYSA-N 2 1 330.497 3.771 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087475 1040064604 /nfs/dbraw/zinc/06/46/04/1040064604.db2.gz ZYENHWNHAORIKM-HNNXBMFYSA-N 2 1 330.497 3.771 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000319064370 1040091714 /nfs/dbraw/zinc/09/17/14/1040091714.db2.gz PISMXNDOLFGVHU-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000319064370 1040091728 /nfs/dbraw/zinc/09/17/28/1040091728.db2.gz PISMXNDOLFGVHU-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000319064368 1040092173 /nfs/dbraw/zinc/09/21/73/1040092173.db2.gz PISMXNDOLFGVHU-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000319064368 1040092190 /nfs/dbraw/zinc/09/21/90/1040092190.db2.gz PISMXNDOLFGVHU-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1cncc(Br)c1)C1CCCCC1 ZINC000166875462 1040335003 /nfs/dbraw/zinc/33/50/03/1040335003.db2.gz VOGNBOAYTULYKZ-UHFFFAOYSA-N 2 1 340.309 3.588 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1cncc(Br)c1)C1CCCCC1 ZINC000166875462 1040334992 /nfs/dbraw/zinc/33/49/92/1040334992.db2.gz VOGNBOAYTULYKZ-UHFFFAOYSA-N 2 1 340.309 3.588 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCS4)[C@H]3C2)cc1 ZINC000512632393 1040338970 /nfs/dbraw/zinc/33/89/70/1040338970.db2.gz ZZDKXCGERIURMG-MUGJNUQGSA-N 2 1 330.541 3.772 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000479519908 1040339869 /nfs/dbraw/zinc/33/98/69/1040339869.db2.gz XGUZZMYUDQEQAU-DOIPELPJSA-N 2 1 344.543 3.674 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168186 1040379981 /nfs/dbraw/zinc/37/99/81/1040379981.db2.gz SFMSUHQCEJQQHF-HRAATJIYSA-N 2 1 342.458 3.855 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168186 1040380003 /nfs/dbraw/zinc/38/00/03/1040380003.db2.gz SFMSUHQCEJQQHF-HRAATJIYSA-N 2 1 342.458 3.855 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000490227233 1040408304 /nfs/dbraw/zinc/40/83/04/1040408304.db2.gz MYOXDWVGPKCKGA-GBESFXJTSA-N 2 1 345.531 3.859 20 0 EHADMP CC(C)COc1cc(Br)cc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167916118 1040426249 /nfs/dbraw/zinc/42/62/49/1040426249.db2.gz OGANQDKIRJSZON-UHFFFAOYSA-N 2 1 346.294 3.522 20 0 EHADMP Fc1cccc(C[C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667533229 1040504664 /nfs/dbraw/zinc/50/46/64/1040504664.db2.gz KNYAHJSOLIJORI-LJQANCHMSA-N 2 1 336.414 3.614 20 0 EHADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000500115357 1040536642 /nfs/dbraw/zinc/53/66/42/1040536642.db2.gz LHJISLOJYZROFL-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118213 1040552817 /nfs/dbraw/zinc/55/28/17/1040552817.db2.gz SXUJKYCBOLFNKZ-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118213 1040552831 /nfs/dbraw/zinc/55/28/31/1040552831.db2.gz SXUJKYCBOLFNKZ-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118213 1040552849 /nfs/dbraw/zinc/55/28/49/1040552849.db2.gz SXUJKYCBOLFNKZ-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC[C@H]21 ZINC000500118213 1040552875 /nfs/dbraw/zinc/55/28/75/1040552875.db2.gz SXUJKYCBOLFNKZ-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP CCOC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411286478 1040675649 /nfs/dbraw/zinc/67/56/49/1040675649.db2.gz XJPZXSWPIHLXNZ-NRFANRHFSA-N 2 1 330.516 3.921 20 0 EHADMP Clc1ccc2[nH+]ccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000664009852 1040778182 /nfs/dbraw/zinc/77/81/82/1040778182.db2.gz OWVJGJKDHJRHRQ-UHFFFAOYSA-N 2 1 345.874 3.579 20 0 EHADMP Clc1ccc2[nH+]ccc(N3CCC([N@H+]4CCCOCC4)CC3)c2c1 ZINC000664009852 1040778198 /nfs/dbraw/zinc/77/81/98/1040778198.db2.gz OWVJGJKDHJRHRQ-UHFFFAOYSA-N 2 1 345.874 3.579 20 0 EHADMP CCCC[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491024072 1040867777 /nfs/dbraw/zinc/86/77/77/1040867777.db2.gz WJANDGHHQQDLFG-HXUWFJFHSA-N 2 1 346.515 3.562 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025989 1040871293 /nfs/dbraw/zinc/87/12/93/1040871293.db2.gz XEYGHLDYINRVQC-QUCCMNQESA-N 2 1 341.474 3.826 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025989 1040871301 /nfs/dbraw/zinc/87/13/01/1040871301.db2.gz XEYGHLDYINRVQC-QUCCMNQESA-N 2 1 341.474 3.826 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(OCC(F)(F)F)cc[nH+]1 ZINC001167754291 1040874916 /nfs/dbraw/zinc/87/49/16/1040874916.db2.gz RDLXBMVRVUOBKX-CYBMUJFWSA-N 2 1 331.382 3.699 20 0 EHADMP [NH3+][C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000390535753 1040903974 /nfs/dbraw/zinc/90/39/74/1040903974.db2.gz GCXKBYDDQKWJIY-OCUMKHBUSA-N 2 1 347.506 3.916 20 0 EHADMP OC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(F)c1 ZINC000411500743 1040919170 /nfs/dbraw/zinc/91/91/70/1040919170.db2.gz FUCDASOYGIXXLQ-OAQYLSRUSA-N 2 1 342.458 3.635 20 0 EHADMP Cc1cccc([C@@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390560499 1041007851 /nfs/dbraw/zinc/00/78/51/1041007851.db2.gz MLXLYQPEPKEPQI-KNQAVFIVSA-N 2 1 338.495 3.937 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3occc3c2)no1 ZINC001212145024 1041122198 /nfs/dbraw/zinc/12/21/98/1041122198.db2.gz JPVOPCUSRVJOTP-HNNXBMFYSA-N 2 1 328.416 3.651 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000924829549 1041236359 /nfs/dbraw/zinc/23/63/59/1041236359.db2.gz QMMAHAFXJRHXMD-OAQYLSRUSA-N 2 1 330.516 3.822 20 0 EHADMP c1cc(-c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)o2)n[nH]1 ZINC000433316568 1041261005 /nfs/dbraw/zinc/26/10/05/1041261005.db2.gz IVGPTIBCWHTOQU-UHFFFAOYSA-N 2 1 336.439 3.555 20 0 EHADMP Cc1noc(C)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571402871 1041285787 /nfs/dbraw/zinc/28/57/87/1041285787.db2.gz JFDGBUAOGKVHCJ-GOSISDBHSA-N 2 1 325.456 3.578 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000571402871 1041285803 /nfs/dbraw/zinc/28/58/03/1041285803.db2.gz JFDGBUAOGKVHCJ-GOSISDBHSA-N 2 1 325.456 3.578 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CO1 ZINC000660622960 1041729086 /nfs/dbraw/zinc/72/90/86/1041729086.db2.gz JUPKDFCDHAQMOI-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661429136 1042117031 /nfs/dbraw/zinc/11/70/31/1042117031.db2.gz WCOPYKUIZAXTNW-IBGZPJMESA-N 2 1 347.890 3.617 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Br)CCC2)CCN1C ZINC000652218230 1042274332 /nfs/dbraw/zinc/27/43/32/1042274332.db2.gz CFJQZEWTQIOQHE-KBPBESRZSA-N 2 1 337.305 3.901 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000652222382 1042279786 /nfs/dbraw/zinc/27/97/86/1042279786.db2.gz MTTFWKLFYMVRIK-MRXNPFEDSA-N 2 1 346.519 3.599 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661872386 1042380160 /nfs/dbraw/zinc/38/01/60/1042380160.db2.gz AUUPNCILJTVPGB-CTNGQTDRSA-N 2 1 339.483 3.962 20 0 EHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348067 1042406177 /nfs/dbraw/zinc/40/61/77/1042406177.db2.gz TVLAVTZWLLKQQQ-FHIHXZLISA-N 2 1 340.870 3.758 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278860987 1042625125 /nfs/dbraw/zinc/62/51/25/1042625125.db2.gz WILNMTPAPVFKGD-KGWSWXIGSA-N 2 1 342.527 3.975 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662285084 1042655313 /nfs/dbraw/zinc/65/53/13/1042655313.db2.gz WGGOZIOGOITQEJ-MSEOUXRUSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1CCSc1ccc(F)cc1F)CC[NH2+]CC2 ZINC000662283089 1042656890 /nfs/dbraw/zinc/65/68/90/1042656890.db2.gz KMPAOHRDBDVIOI-CYBMUJFWSA-N 2 1 326.456 3.521 20 0 EHADMP c1csc(-c2cnc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)o2)c1 ZINC000662291592 1042662558 /nfs/dbraw/zinc/66/25/58/1042662558.db2.gz ITVWUJZRMNAKFP-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP c1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)onc1-c1ccccc1 ZINC000662295131 1042664095 /nfs/dbraw/zinc/66/40/95/1042664095.db2.gz FKKPFWFVXGSZCR-GOSISDBHSA-N 2 1 325.456 3.553 20 0 EHADMP c1csc(-c2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)no2)c1 ZINC000662291953 1042664922 /nfs/dbraw/zinc/66/49/22/1042664922.db2.gz ZRAGQTRTNSOOLM-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(-c2ccncc2)c1 ZINC000278863453 1042667599 /nfs/dbraw/zinc/66/75/99/1042667599.db2.gz BEBGWCRGECWINA-DLBZAZTESA-N 2 1 332.451 3.858 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324076 1042684685 /nfs/dbraw/zinc/68/46/85/1042684685.db2.gz UKADDWPYZBHKTB-UWJYYQICSA-N 2 1 326.484 3.943 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])on2)cc1 ZINC000662316547 1042685350 /nfs/dbraw/zinc/68/53/50/1042685350.db2.gz WWZNFADHXCEGSU-OXQOHEQNSA-N 2 1 327.472 3.989 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662325394 1042685445 /nfs/dbraw/zinc/68/54/45/1042685445.db2.gz FPLFBCSRMKLELN-HMXCVIKNSA-N 2 1 330.516 3.613 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000221911713 1042703458 /nfs/dbraw/zinc/70/34/58/1042703458.db2.gz IANXITXVQMRSOE-MRXNPFEDSA-N 2 1 325.294 3.756 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347698 1042736769 /nfs/dbraw/zinc/73/67/69/1042736769.db2.gz SRMNWTHMJNGIKF-IBGZPJMESA-N 2 1 346.515 3.696 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246067190 1042795041 /nfs/dbraw/zinc/79/50/41/1042795041.db2.gz ZPNFMZQQGSWZIR-CVEARBPZSA-N 2 1 326.488 3.943 20 0 EHADMP Cc1cc(CO)cc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000663391985 1042803747 /nfs/dbraw/zinc/80/37/47/1042803747.db2.gz QYQXTBBJCZJOFR-MRXNPFEDSA-N 2 1 339.483 3.726 20 0 EHADMP Cc1cc(CO)cc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000663391985 1042803754 /nfs/dbraw/zinc/80/37/54/1042803754.db2.gz QYQXTBBJCZJOFR-MRXNPFEDSA-N 2 1 339.483 3.726 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000663467145 1042890685 /nfs/dbraw/zinc/89/06/85/1042890685.db2.gz ZSCJYNSRLYFCER-AEFFLSMTSA-N 2 1 346.515 3.785 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000278911689 1042920421 /nfs/dbraw/zinc/92/04/21/1042920421.db2.gz GXGCPMRPZAUKII-SWLSCSKDSA-N 2 1 333.888 3.926 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccccc2OC)C1 ZINC001167827536 1042971137 /nfs/dbraw/zinc/97/11/37/1042971137.db2.gz XGHGHRJSQCPZDX-ZWKOTPCHSA-N 2 1 334.504 3.659 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643546447 1042993213 /nfs/dbraw/zinc/99/32/13/1042993213.db2.gz OYRCPPKEGAWDHY-QWHCGFSZSA-N 2 1 338.879 3.683 20 0 EHADMP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548158 1042994476 /nfs/dbraw/zinc/99/44/76/1042994476.db2.gz NEDYGFOTVQEXGK-ZYHUDNBSSA-N 2 1 341.318 3.762 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001167836832 1043043096 /nfs/dbraw/zinc/04/30/96/1043043096.db2.gz HXBDWLVKQUZMSW-IRXDYDNUSA-N 2 1 336.524 3.883 20 0 EHADMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000344002428 1043085368 /nfs/dbraw/zinc/08/53/68/1043085368.db2.gz XPADEEWVMHBZEP-SFHVURJKSA-N 2 1 349.425 3.541 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404098 1043099236 /nfs/dbraw/zinc/09/92/36/1043099236.db2.gz CUDPNONUSMIQQQ-ZWKOTPCHSA-N 2 1 330.516 3.717 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420210 1043149750 /nfs/dbraw/zinc/14/97/50/1043149750.db2.gz JSBZTYHEHOBLBE-MISYRCLQSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420210 1043149753 /nfs/dbraw/zinc/14/97/53/1043149753.db2.gz JSBZTYHEHOBLBE-MISYRCLQSA-N 2 1 330.516 3.659 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432424582 1043164049 /nfs/dbraw/zinc/16/40/49/1043164049.db2.gz PHDUGEXESDKCQR-AZUAARDMSA-N 2 1 346.515 3.608 20 0 EHADMP CCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432424267 1043165969 /nfs/dbraw/zinc/16/59/69/1043165969.db2.gz NRBCPJJFCLNUSF-QZTJIDSGSA-N 2 1 334.504 3.627 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000344058405 1043177335 /nfs/dbraw/zinc/17/73/35/1043177335.db2.gz NFAREVMIEPOFSM-MOPGFXCFSA-N 2 1 343.446 3.757 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@H]3c3cccnc3)CC2)C1 ZINC000344244263 1043508032 /nfs/dbraw/zinc/50/80/32/1043508032.db2.gz JVAOLHPMEYJPBM-RCOXNQKVSA-N 2 1 343.515 3.544 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000163157404 1043911121 /nfs/dbraw/zinc/91/11/21/1043911121.db2.gz PKHQZVODBOAAEB-HXUWFJFHSA-N 2 1 327.472 3.510 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000163157404 1043911127 /nfs/dbraw/zinc/91/11/27/1043911127.db2.gz PKHQZVODBOAAEB-HXUWFJFHSA-N 2 1 327.472 3.510 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000163215775 1043915779 /nfs/dbraw/zinc/91/57/79/1043915779.db2.gz JHWRZJIBPHUNBO-IRXDYDNUSA-N 2 1 346.519 3.553 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000307968369 1125677254 /nfs/dbraw/zinc/67/72/54/1125677254.db2.gz VTPDVWRAMVKBRA-JXFKEZNVSA-N 2 1 340.515 3.520 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000154447815 1125719399 /nfs/dbraw/zinc/71/93/99/1125719399.db2.gz YZEJGJQEYJMHQJ-FQEVSTJZSA-N 2 1 345.575 3.953 20 0 EHADMP Fc1cncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000336731466 1126806665 /nfs/dbraw/zinc/80/66/65/1126806665.db2.gz YWIHMWCROYXUNB-SFHVURJKSA-N 2 1 327.447 3.613 20 0 EHADMP Fc1cncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000336731466 1126806668 /nfs/dbraw/zinc/80/66/68/1126806668.db2.gz YWIHMWCROYXUNB-SFHVURJKSA-N 2 1 327.447 3.613 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356560 1126928743 /nfs/dbraw/zinc/92/87/43/1126928743.db2.gz XAUNNABTDZBSBV-RBUKOAKNSA-N 2 1 349.950 3.939 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358829 1126929767 /nfs/dbraw/zinc/92/97/67/1126929767.db2.gz UEOPHZGMWNCUNN-BBRMVZONSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358830 1126929948 /nfs/dbraw/zinc/92/99/48/1126929948.db2.gz UEOPHZGMWNCUNN-CJNGLKHVSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623422181 1126950895 /nfs/dbraw/zinc/95/08/95/1126950895.db2.gz MLGZIEVFQWVVEE-MRXNPFEDSA-N 2 1 334.467 3.878 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623429542 1126954268 /nfs/dbraw/zinc/95/42/68/1126954268.db2.gz IEXLPQVWYIEMDA-JKSUJKDBSA-N 2 1 335.923 3.771 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)CC1(C)C ZINC000623445171 1126957655 /nfs/dbraw/zinc/95/76/55/1126957655.db2.gz FXYGWPLPEBWFDE-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[NH+]1CCC([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000177234847 1126979509 /nfs/dbraw/zinc/97/95/09/1126979509.db2.gz ZDPIZTYTFVAXHR-BPURVQTLSA-N 2 1 332.491 3.968 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528602 1126976484 /nfs/dbraw/zinc/97/64/84/1126976484.db2.gz VLRFSHYLXTZGJB-PKOBYXMFSA-N 2 1 328.500 3.543 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528601 1126976618 /nfs/dbraw/zinc/97/66/18/1126976618.db2.gz VLRFSHYLXTZGJB-MJGOQNOKSA-N 2 1 328.500 3.543 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000178036927 1127005121 /nfs/dbraw/zinc/00/51/21/1127005121.db2.gz FYJYATXWQPAQSA-MJBXVCDLSA-N 2 1 344.421 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430756 1127154937 /nfs/dbraw/zinc/15/49/37/1127154937.db2.gz LMKPLEKAOMDCJP-CJNGLKHVSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430756 1127154938 /nfs/dbraw/zinc/15/49/38/1127154938.db2.gz LMKPLEKAOMDCJP-CJNGLKHVSA-N 2 1 337.305 3.901 20 0 EHADMP Cc1ccc(C2CC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000180713345 1127182635 /nfs/dbraw/zinc/18/26/35/1127182635.db2.gz JVHFTYAUSUHLPB-UHFFFAOYSA-N 2 1 342.527 3.866 20 0 EHADMP c1nc2c(s1)CCC[C@@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000623886309 1127210219 /nfs/dbraw/zinc/21/02/19/1127210219.db2.gz YMQFRYPKBBDRRD-MSOLQXFVSA-N 2 1 341.524 3.675 20 0 EHADMP c1nc2c(s1)CCC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623974388 1127226362 /nfs/dbraw/zinc/22/63/62/1127226362.db2.gz DEEMAENWEIHYAP-IAGOWNOFSA-N 2 1 327.497 3.632 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123239 1127256804 /nfs/dbraw/zinc/25/68/04/1127256804.db2.gz IJGWCANKZXAZJZ-GOEBONIOSA-N 2 1 328.422 3.958 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000183365991 1127373927 /nfs/dbraw/zinc/37/39/27/1127373927.db2.gz QYHMFYCQNWWYLS-JSGCOSHPSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000183365991 1127373930 /nfs/dbraw/zinc/37/39/30/1127373930.db2.gz QYHMFYCQNWWYLS-JSGCOSHPSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365991 1127373934 /nfs/dbraw/zinc/37/39/34/1127373934.db2.gz QYHMFYCQNWWYLS-JSGCOSHPSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365991 1127373936 /nfs/dbraw/zinc/37/39/36/1127373936.db2.gz QYHMFYCQNWWYLS-JSGCOSHPSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@@H](CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000184509695 1127407300 /nfs/dbraw/zinc/40/73/00/1127407300.db2.gz MOQDHGBQUCWKME-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH2+]CCOc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758568 1127431383 /nfs/dbraw/zinc/43/13/83/1127431383.db2.gz AXWLTOBXJTWAHA-JKSUJKDBSA-N 2 1 336.907 3.961 20 0 EHADMP COCc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355286 1127483358 /nfs/dbraw/zinc/48/33/58/1127483358.db2.gz NJCOHELHXDPCEU-AVRDEDQJSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)C[NH+]1CCCCC1 ZINC000325390554 1127505495 /nfs/dbraw/zinc/50/54/95/1127505495.db2.gz PSCQWBBCKCFMEI-ROUUACIJSA-N 2 1 326.488 3.645 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000765119917 1127575735 /nfs/dbraw/zinc/57/57/35/1127575735.db2.gz UTWKUDKYZCCACK-SJORKVTESA-N 2 1 326.488 3.563 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000765246033 1127587911 /nfs/dbraw/zinc/58/79/11/1127587911.db2.gz RIDQYKCCQCXFSS-RXVVDRJESA-N 2 1 329.532 3.539 20 0 EHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cnn1-c1ccccc1 ZINC000765423181 1127609652 /nfs/dbraw/zinc/60/96/52/1127609652.db2.gz ATVZZDDDWSVIPD-INIZCTEOSA-N 2 1 338.499 3.848 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000386338040 1127664086 /nfs/dbraw/zinc/66/40/86/1127664086.db2.gz NFUCJVPDVCNIOL-HMXCVIKNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386338040 1127664087 /nfs/dbraw/zinc/66/40/87/1127664087.db2.gz NFUCJVPDVCNIOL-HMXCVIKNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000386338040 1127664089 /nfs/dbraw/zinc/66/40/89/1127664089.db2.gz NFUCJVPDVCNIOL-HMXCVIKNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386338040 1127664090 /nfs/dbraw/zinc/66/40/90/1127664090.db2.gz NFUCJVPDVCNIOL-HMXCVIKNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000386338040 1127664092 /nfs/dbraw/zinc/66/40/92/1127664092.db2.gz NFUCJVPDVCNIOL-HMXCVIKNSA-N 2 1 341.543 3.504 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)C1CCCC1 ZINC000166238781 1127671129 /nfs/dbraw/zinc/67/11/29/1127671129.db2.gz RWGCXLQYVLKIHJ-AZUAARDMSA-N 2 1 341.499 3.532 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)C1CCCC1 ZINC000166238781 1127671132 /nfs/dbraw/zinc/67/11/32/1127671132.db2.gz RWGCXLQYVLKIHJ-AZUAARDMSA-N 2 1 341.499 3.532 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1F ZINC000921589739 1127758290 /nfs/dbraw/zinc/75/82/90/1127758290.db2.gz OGJHCDLKZFUQDJ-FGTMMUONSA-N 2 1 343.446 3.615 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n(C2CCC2)n1 ZINC000921619039 1127816053 /nfs/dbraw/zinc/81/60/53/1127816053.db2.gz LDJDWEPNPUWGOK-UHFFFAOYSA-N 2 1 330.520 3.742 20 0 EHADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000671706923 1128037407 /nfs/dbraw/zinc/03/74/07/1128037407.db2.gz WWMUYJPOOWOVAI-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000671706923 1128037411 /nfs/dbraw/zinc/03/74/11/1128037411.db2.gz WWMUYJPOOWOVAI-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000282196181 1128058918 /nfs/dbraw/zinc/05/89/18/1128058918.db2.gz GNRHLEPJXNXYFS-HNNXBMFYSA-N 2 1 331.529 3.578 20 0 EHADMP C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166262519 1128097892 /nfs/dbraw/zinc/09/78/92/1128097892.db2.gz BVKHHGGXEMBQJU-NZSAHSFTSA-N 2 1 330.516 3.968 20 0 EHADMP Cc1cnn(CCCCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000072974914 1128312289 /nfs/dbraw/zinc/31/22/89/1128312289.db2.gz UUQTXHXIFARTMN-LEWJYISDSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1cnn(CCCCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072974914 1128312291 /nfs/dbraw/zinc/31/22/91/1128312291.db2.gz UUQTXHXIFARTMN-LEWJYISDSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072974914 1128312294 /nfs/dbraw/zinc/31/22/94/1128312294.db2.gz UUQTXHXIFARTMN-LEWJYISDSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785521 1128366300 /nfs/dbraw/zinc/36/63/00/1128366300.db2.gz XGRRLBVOYUARCZ-HKUYNNGSSA-N 2 1 340.515 3.952 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785521 1128366303 /nfs/dbraw/zinc/36/63/03/1128366303.db2.gz XGRRLBVOYUARCZ-HKUYNNGSSA-N 2 1 340.515 3.952 20 0 EHADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-c2ccccc2)c1 ZINC000765793220 1128370141 /nfs/dbraw/zinc/37/01/41/1128370141.db2.gz WMSCBPWMSGZTAI-BULFRSBZSA-N 2 1 336.479 3.867 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000655835337 1128492187 /nfs/dbraw/zinc/49/21/87/1128492187.db2.gz NQHYGTVVLFCWRR-VGSGFSFPSA-N 2 1 349.522 3.903 20 0 EHADMP Cc1ncsc1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000172533330 1128502934 /nfs/dbraw/zinc/50/29/34/1128502934.db2.gz GOUUOOTVBZLFFH-UHFFFAOYSA-N 2 1 343.540 3.838 20 0 EHADMP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1OCC(C)C ZINC000061558328 1128782036 /nfs/dbraw/zinc/78/20/36/1128782036.db2.gz HYOJVHKDUBHXBE-UHFFFAOYSA-N 2 1 348.531 3.942 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168251806 1120276365 /nfs/dbraw/zinc/27/63/65/1120276365.db2.gz UMINRZJOKPCACH-CQSZACIVSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000168251806 1120276368 /nfs/dbraw/zinc/27/63/68/1120276368.db2.gz UMINRZJOKPCACH-CQSZACIVSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465182 1120532909 /nfs/dbraw/zinc/53/29/09/1120532909.db2.gz AOCTZTUQJGVYKJ-IRXDYDNUSA-N 2 1 346.437 3.693 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465182 1120532911 /nfs/dbraw/zinc/53/29/11/1120532911.db2.gz AOCTZTUQJGVYKJ-IRXDYDNUSA-N 2 1 346.437 3.693 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(C)c2)[C@H](C)C1 ZINC000190004323 1120621031 /nfs/dbraw/zinc/62/10/31/1120621031.db2.gz GTEKMIWNQMJMTG-CTNGQTDRSA-N 2 1 332.532 3.654 20 0 EHADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000190460157 1120638709 /nfs/dbraw/zinc/63/87/09/1120638709.db2.gz SBBPKSFQEDWDNX-TZMCWYRMSA-N 2 1 341.293 3.593 20 0 EHADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000190460157 1120638711 /nfs/dbraw/zinc/63/87/11/1120638711.db2.gz SBBPKSFQEDWDNX-TZMCWYRMSA-N 2 1 341.293 3.593 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cncc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000494623574 1120704215 /nfs/dbraw/zinc/70/42/15/1120704215.db2.gz XOAQGWVIJSCXIF-WMZOPIPTSA-N 2 1 327.447 3.611 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000192926406 1120753780 /nfs/dbraw/zinc/75/37/80/1120753780.db2.gz UJOXNQJFBHZXLR-LJQANCHMSA-N 2 1 334.463 3.574 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)C(C)C ZINC000195458146 1120785820 /nfs/dbraw/zinc/78/58/20/1120785820.db2.gz QVKJMPMLVOGBKU-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000494890159 1120893036 /nfs/dbraw/zinc/89/30/36/1120893036.db2.gz DRWGJRQSISVQST-LDTOTXGLSA-N 2 1 332.463 3.510 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000250217970 1120958179 /nfs/dbraw/zinc/95/81/79/1120958179.db2.gz PXOXLUPWOSLUJR-BZSNNMDCSA-N 2 1 349.316 3.523 20 0 EHADMP C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369782 1121142124 /nfs/dbraw/zinc/14/21/24/1121142124.db2.gz WNQPLYJIDLWNGG-OVZGMEQFSA-N 2 1 330.516 3.833 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC(C)C ZINC000237109519 1121474165 /nfs/dbraw/zinc/47/41/65/1121474165.db2.gz GAKIJLFYWCKQRI-UHFFFAOYSA-N 2 1 334.504 3.835 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976393 1128988708 /nfs/dbraw/zinc/98/87/08/1128988708.db2.gz DXJJDOJTRDGEKJ-IEBWSBKVSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976393 1128988712 /nfs/dbraw/zinc/98/87/12/1128988712.db2.gz DXJJDOJTRDGEKJ-IEBWSBKVSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763414310 1122231963 /nfs/dbraw/zinc/23/19/63/1122231963.db2.gz IRWAMBMBFCCGLU-BWPNAZKDSA-N 2 1 342.483 3.734 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763414310 1122231968 /nfs/dbraw/zinc/23/19/68/1122231968.db2.gz IRWAMBMBFCCGLU-BWPNAZKDSA-N 2 1 342.483 3.734 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000126537354 1122411695 /nfs/dbraw/zinc/41/16/95/1122411695.db2.gz QICYJCBLBVYYPV-KBXCAEBGSA-N 2 1 334.891 3.936 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccs1 ZINC000126690305 1122419351 /nfs/dbraw/zinc/41/93/51/1122419351.db2.gz JHPABLYDLDCKNQ-LJQANCHMSA-N 2 1 343.540 3.736 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126744261 1122422342 /nfs/dbraw/zinc/42/23/42/1122422342.db2.gz JAUIKTWXXAMGQN-IBGZPJMESA-N 2 1 337.511 3.593 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881501 1122449941 /nfs/dbraw/zinc/44/99/41/1122449941.db2.gz MIGOFUUJJKCHMG-WBVHZDCISA-N 2 1 336.545 3.896 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881501 1122449944 /nfs/dbraw/zinc/44/99/44/1122449944.db2.gz MIGOFUUJJKCHMG-WBVHZDCISA-N 2 1 336.545 3.896 20 0 EHADMP CC[NH+](CC)[C@H](C)CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000127592921 1122496222 /nfs/dbraw/zinc/49/62/22/1122496222.db2.gz UXULOHJDPQUXGZ-MRXNPFEDSA-N 2 1 337.939 3.624 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000556075781 1122802814 /nfs/dbraw/zinc/80/28/14/1122802814.db2.gz FDOHHKGFVBXLSV-WOJBJXKFSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000556075781 1122802815 /nfs/dbraw/zinc/80/28/15/1122802815.db2.gz FDOHHKGFVBXLSV-WOJBJXKFSA-N 2 1 330.422 3.932 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H]1COc2ccccc21 ZINC000556117621 1122825439 /nfs/dbraw/zinc/82/54/39/1122825439.db2.gz FCOUUSXSDMIOJH-RCVZYCBYSA-N 2 1 336.479 3.976 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H]1COc2ccccc21 ZINC000556117621 1122825445 /nfs/dbraw/zinc/82/54/45/1122825445.db2.gz FCOUUSXSDMIOJH-RCVZYCBYSA-N 2 1 336.479 3.976 20 0 EHADMP C[N@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000556178894 1122861685 /nfs/dbraw/zinc/86/16/85/1122861685.db2.gz OQRPYTCDBJWKKQ-VQTJNVASSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233824 1122886813 /nfs/dbraw/zinc/88/68/13/1122886813.db2.gz SIXGWJFQTOXIKM-WIYYLYMNSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000556876284 1123157878 /nfs/dbraw/zinc/15/78/78/1123157878.db2.gz OFZCVFWJMACDDK-SFHVURJKSA-N 2 1 331.548 3.562 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868637 1123159081 /nfs/dbraw/zinc/15/90/81/1123159081.db2.gz URCMZBZAVUCUBA-CJNGLKHVSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000556886392 1123166819 /nfs/dbraw/zinc/16/68/19/1123166819.db2.gz LYZZOCBJGSEHSF-SGCGGLILSA-N 2 1 342.527 3.834 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@H]2CCC[C@H]21 ZINC000556887331 1123168325 /nfs/dbraw/zinc/16/83/25/1123168325.db2.gz URUZAMIVUUHKHL-QHAWAJNXSA-N 2 1 327.516 3.957 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153865 1123253544 /nfs/dbraw/zinc/25/35/44/1123253544.db2.gz BACJHZAOQMQGBK-CIAFKFPVSA-N 2 1 348.490 3.775 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571661 1123848359 /nfs/dbraw/zinc/84/83/59/1123848359.db2.gz ORILXTGRMHGCMT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571661 1123848363 /nfs/dbraw/zinc/84/83/63/1123848363.db2.gz ORILXTGRMHGCMT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571661 1123848365 /nfs/dbraw/zinc/84/83/65/1123848365.db2.gz ORILXTGRMHGCMT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081571661 1123848370 /nfs/dbraw/zinc/84/83/70/1123848370.db2.gz ORILXTGRMHGCMT-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CC(C)C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000245661249 1123914624 /nfs/dbraw/zinc/91/46/24/1123914624.db2.gz FUDHGUXCUGENAZ-CIAFKFPVSA-N 2 1 343.559 3.748 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000245684849 1123921591 /nfs/dbraw/zinc/92/15/91/1123921591.db2.gz ALGCRXDWVMAWIL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Br ZINC000245684849 1123921595 /nfs/dbraw/zinc/92/15/95/1123921595.db2.gz ALGCRXDWVMAWIL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1Br ZINC000245684849 1123921598 /nfs/dbraw/zinc/92/15/98/1123921598.db2.gz ALGCRXDWVMAWIL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1Br ZINC000245684849 1123921603 /nfs/dbraw/zinc/92/16/03/1123921603.db2.gz ALGCRXDWVMAWIL-ZFWWWQNUSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@@H](C[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245689561 1123925911 /nfs/dbraw/zinc/92/59/11/1123925911.db2.gz KDEYKLRZGYXRJJ-UVUJQTEASA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245689547 1123925931 /nfs/dbraw/zinc/92/59/31/1123925931.db2.gz KDEYKLRZGYXRJJ-JKLQHZFJSA-N 2 1 341.543 3.646 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000246903843 1124564817 /nfs/dbraw/zinc/56/48/17/1124564817.db2.gz GACLMRUWKZSBNZ-HUUCEWRRSA-N 2 1 326.431 3.979 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000246903843 1124564826 /nfs/dbraw/zinc/56/48/26/1124564826.db2.gz GACLMRUWKZSBNZ-HUUCEWRRSA-N 2 1 326.431 3.979 20 0 EHADMP CCCCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247064944 1124585503 /nfs/dbraw/zinc/58/55/03/1124585503.db2.gz OAGMEQOHOWTERL-JFIYKMOQSA-N 2 1 334.504 3.692 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000247064944 1124585505 /nfs/dbraw/zinc/58/55/05/1124585505.db2.gz OAGMEQOHOWTERL-JFIYKMOQSA-N 2 1 334.504 3.692 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000247213289 1124595821 /nfs/dbraw/zinc/59/58/21/1124595821.db2.gz XBVCYBGEEJNTEB-NVXWUHKLSA-N 2 1 344.478 3.702 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000247213289 1124595822 /nfs/dbraw/zinc/59/58/22/1124595822.db2.gz XBVCYBGEEJNTEB-NVXWUHKLSA-N 2 1 344.478 3.702 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000247944276 1124630800 /nfs/dbraw/zinc/63/08/00/1124630800.db2.gz DHJDMCXLZBCYNK-CBZIJGRNSA-N 2 1 335.923 3.627 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1Cl ZINC000247936583 1124630990 /nfs/dbraw/zinc/63/09/90/1124630990.db2.gz COGDHCGSJUMJFK-HIFRSBDPSA-N 2 1 345.314 3.881 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccnn1C ZINC000249053847 1124732109 /nfs/dbraw/zinc/73/21/09/1124732109.db2.gz YEQZCYAAISYUTO-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)cn1 ZINC000181540579 1124920693 /nfs/dbraw/zinc/92/06/93/1124920693.db2.gz XMISCGNLPTWLJZ-ROUUACIJSA-N 2 1 342.487 3.505 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206158 1124969411 /nfs/dbraw/zinc/96/94/11/1124969411.db2.gz AALOTFOWRRRFST-WMZOPIPTSA-N 2 1 327.447 3.611 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000649646657 1125334792 /nfs/dbraw/zinc/33/47/92/1125334792.db2.gz LXIXUFFOXPTSOI-UHFFFAOYSA-N 2 1 334.261 3.623 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000358918539 1129427478 /nfs/dbraw/zinc/42/74/78/1129427478.db2.gz WNWVSFZDGSJMDB-LPHOPBHVSA-N 2 1 346.515 3.935 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769347 1129480688 /nfs/dbraw/zinc/48/06/88/1129480688.db2.gz ZRPAMJHYANCRDP-LEWJYISDSA-N 2 1 342.527 3.978 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000657769347 1129480692 /nfs/dbraw/zinc/48/06/92/1129480692.db2.gz ZRPAMJHYANCRDP-LEWJYISDSA-N 2 1 342.527 3.978 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC000922806216 1129677123 /nfs/dbraw/zinc/67/71/23/1129677123.db2.gz UFWFIURATCIOHU-FQEVSTJZSA-N 2 1 328.500 3.732 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000429011132 1129692975 /nfs/dbraw/zinc/69/29/75/1129692975.db2.gz SCPMTZMEHCCUHA-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000429011132 1129692976 /nfs/dbraw/zinc/69/29/76/1129692976.db2.gz SCPMTZMEHCCUHA-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000429011132 1129692978 /nfs/dbraw/zinc/69/29/78/1129692978.db2.gz SCPMTZMEHCCUHA-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP CCO[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000625274868 1129797279 /nfs/dbraw/zinc/79/72/79/1129797279.db2.gz HDLKYTUXZQRBLL-OAQYLSRUSA-N 2 1 342.527 3.790 20 0 EHADMP C[C@H]1CN(Cc2ncc(CN(C)C)s2)CC[C@H]1c1ccccc1 ZINC000347860032 1129937738 /nfs/dbraw/zinc/93/77/38/1129937738.db2.gz RJQYEYYTAPFOGI-MAUKXSAKSA-N 2 1 329.513 3.830 20 0 EHADMP Oc1ccc2c(c1)C[NH+](CCCCC[N@H+]1Cc3ccc(O)cc3C1)C2 ZINC000625727691 1130068593 /nfs/dbraw/zinc/06/85/93/1130068593.db2.gz IGXYVUDMMUFLGU-UHFFFAOYSA-N 2 1 338.451 3.600 20 0 EHADMP Oc1ccc2c(c1)C[NH+](CCCCC[N@@H+]1Cc3ccc(O)cc3C1)C2 ZINC000625727691 1130068596 /nfs/dbraw/zinc/06/85/96/1130068596.db2.gz IGXYVUDMMUFLGU-UHFFFAOYSA-N 2 1 338.451 3.600 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3cccs3)CCCC2)CC1 ZINC000675832362 1130489112 /nfs/dbraw/zinc/48/91/12/1130489112.db2.gz BWAAKZNYQPYYCY-INIZCTEOSA-N 2 1 336.545 3.692 20 0 EHADMP CC(C)c1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000169208671 1130636841 /nfs/dbraw/zinc/63/68/41/1130636841.db2.gz WMWQDKZJSVWFAC-OAHLLOKOSA-N 2 1 331.460 3.589 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733842502 1131083964 /nfs/dbraw/zinc/08/39/64/1131083964.db2.gz XLHQTRCEFKHDBB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733842502 1131083971 /nfs/dbraw/zinc/08/39/71/1131083971.db2.gz XLHQTRCEFKHDBB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733842502 1131083976 /nfs/dbraw/zinc/08/39/76/1131083976.db2.gz XLHQTRCEFKHDBB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733842502 1131083983 /nfs/dbraw/zinc/08/39/83/1131083983.db2.gz XLHQTRCEFKHDBB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000738088252 1131460141 /nfs/dbraw/zinc/46/01/41/1131460141.db2.gz ACEIMSHFOXGGPF-UHFFFAOYSA-N 2 1 332.517 3.621 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000738088252 1131460144 /nfs/dbraw/zinc/46/01/44/1131460144.db2.gz ACEIMSHFOXGGPF-UHFFFAOYSA-N 2 1 332.517 3.621 20 0 EHADMP Cc1cc2ncn(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)c2cc1C ZINC000738090299 1131461405 /nfs/dbraw/zinc/46/14/05/1131461405.db2.gz NRBHJJZNOXBJOT-UHFFFAOYSA-N 2 1 328.504 3.663 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883325 1131553166 /nfs/dbraw/zinc/55/31/66/1131553166.db2.gz NLWKZWQYTAUFQQ-AEFFLSMTSA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883325 1131553171 /nfs/dbraw/zinc/55/31/71/1131553171.db2.gz NLWKZWQYTAUFQQ-AEFFLSMTSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883325 1131553177 /nfs/dbraw/zinc/55/31/77/1131553177.db2.gz NLWKZWQYTAUFQQ-AEFFLSMTSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883325 1131553180 /nfs/dbraw/zinc/55/31/80/1131553180.db2.gz NLWKZWQYTAUFQQ-AEFFLSMTSA-N 2 1 342.483 3.714 20 0 EHADMP CCOCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172429916 1131724793 /nfs/dbraw/zinc/72/47/93/1131724793.db2.gz DSONBEYGCHUNQB-SESVDKBCSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172429916 1131724794 /nfs/dbraw/zinc/72/47/94/1131724794.db2.gz DSONBEYGCHUNQB-SESVDKBCSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172429916 1131724802 /nfs/dbraw/zinc/72/48/02/1131724802.db2.gz DSONBEYGCHUNQB-SESVDKBCSA-N 2 1 330.516 3.646 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172458432 1131750609 /nfs/dbraw/zinc/75/06/09/1131750609.db2.gz YUURBXXWKZUDKP-VXSCBNMQSA-N 2 1 344.543 3.938 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H](C)CCOCC(C)C)C[C@@H]3C2)cc1 ZINC001172466496 1131753051 /nfs/dbraw/zinc/75/30/51/1131753051.db2.gz LXJXLBMDJLFQQL-ILWGZMRPSA-N 2 1 344.543 3.810 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H](C)CCOCC(C)C)C[C@@H]3C2)cc1 ZINC001172466496 1131753055 /nfs/dbraw/zinc/75/30/55/1131753055.db2.gz LXJXLBMDJLFQQL-ILWGZMRPSA-N 2 1 344.543 3.810 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H](C)CCOCC(C)C)C[C@@H]3C2)cc1 ZINC001172466496 1131753062 /nfs/dbraw/zinc/75/30/62/1131753062.db2.gz LXJXLBMDJLFQQL-ILWGZMRPSA-N 2 1 344.543 3.810 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H](C)CCOCC(C)C)C[C@@H]3C2)cc1 ZINC001172466495 1131753436 /nfs/dbraw/zinc/75/34/36/1131753436.db2.gz LXJXLBMDJLFQQL-FCEUIQTBSA-N 2 1 344.543 3.810 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H](C)CCOCC(C)C)C[C@@H]3C2)cc1 ZINC001172466495 1131753442 /nfs/dbraw/zinc/75/34/42/1131753442.db2.gz LXJXLBMDJLFQQL-FCEUIQTBSA-N 2 1 344.543 3.810 20 0 EHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H](C)CCOCC(C)C)C[C@@H]3C2)cc1 ZINC001172466495 1131753446 /nfs/dbraw/zinc/75/34/46/1131753446.db2.gz LXJXLBMDJLFQQL-FCEUIQTBSA-N 2 1 344.543 3.810 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717139 1131818704 /nfs/dbraw/zinc/81/87/04/1131818704.db2.gz QCLNDKNRAFOMFW-LJQANCHMSA-N 2 1 344.861 3.896 20 0 EHADMP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174780 1131823155 /nfs/dbraw/zinc/82/31/55/1131823155.db2.gz PLROGPQXWYLSML-OALUTQOASA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174780 1131823161 /nfs/dbraw/zinc/82/31/61/1131823161.db2.gz PLROGPQXWYLSML-OALUTQOASA-N 2 1 328.431 3.623 20 0 EHADMP c1cncc(CN2C[C@@H]3C[N@@H+](C4CCC5(CCCC5)CC4)C[C@@H]3C2)c1 ZINC001172725613 1131825915 /nfs/dbraw/zinc/82/59/15/1131825915.db2.gz GDQUXCREPUDWAJ-BGYRXZFFSA-N 2 1 339.527 3.948 20 0 EHADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(c3ccccc3F)CC1)CC2 ZINC001172828814 1131854551 /nfs/dbraw/zinc/85/45/51/1131854551.db2.gz QAMNCQIFRVYOGZ-LJQANCHMSA-N 2 1 338.470 3.941 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001172936404 1131911990 /nfs/dbraw/zinc/91/19/90/1131911990.db2.gz XGLGPHZXSWOOOW-GFOJFJKKSA-N 2 1 330.516 3.692 20 0 EHADMP CCc1ccc(C[C@H](C)[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001173244307 1132016829 /nfs/dbraw/zinc/01/68/29/1132016829.db2.gz UGEJQHBVGZWQTN-SFHVURJKSA-N 2 1 344.543 3.755 20 0 EHADMP CCc1ccc(C[C@H](C)[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001173244307 1132016836 /nfs/dbraw/zinc/01/68/36/1132016836.db2.gz UGEJQHBVGZWQTN-SFHVURJKSA-N 2 1 344.543 3.755 20 0 EHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@H]1F ZINC001206200349 1132069933 /nfs/dbraw/zinc/06/99/33/1132069933.db2.gz RESGCMSMNMBOIC-IAGOWNOFSA-N 2 1 333.838 3.663 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@H]1F ZINC001206200349 1132069937 /nfs/dbraw/zinc/06/99/37/1132069937.db2.gz RESGCMSMNMBOIC-IAGOWNOFSA-N 2 1 333.838 3.663 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632408 1132110283 /nfs/dbraw/zinc/11/02/83/1132110283.db2.gz LZTYPPOKLINFRB-PBWTXFEYSA-N 2 1 336.520 3.623 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000379657972 1132436552 /nfs/dbraw/zinc/43/65/52/1132436552.db2.gz VALUDZOOVZSNBS-UIFIKXQLSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000379657972 1132436555 /nfs/dbraw/zinc/43/65/55/1132436555.db2.gz VALUDZOOVZSNBS-UIFIKXQLSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1CC[NH+](CCCCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171515 1132467148 /nfs/dbraw/zinc/46/71/48/1132467148.db2.gz NMWDLSACSKVNMF-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP C[C@@H]1CC[N@H+](CCCCC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171515 1132467154 /nfs/dbraw/zinc/46/71/54/1132467154.db2.gz NMWDLSACSKVNMF-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP C[C@@H]1CC[N@@H+](CCCCC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000192171515 1132467158 /nfs/dbraw/zinc/46/71/58/1132467158.db2.gz NMWDLSACSKVNMF-CALCHBBNSA-N 2 1 330.607 3.812 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766536162 1132600465 /nfs/dbraw/zinc/60/04/65/1132600465.db2.gz ILFVUVBSSALMLK-JXFKEZNVSA-N 2 1 341.499 3.867 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766536162 1132600470 /nfs/dbraw/zinc/60/04/70/1132600470.db2.gz ILFVUVBSSALMLK-JXFKEZNVSA-N 2 1 341.499 3.867 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1ccc(Br)cc1)C2 ZINC001169080997 1132658619 /nfs/dbraw/zinc/65/86/19/1132658619.db2.gz OUFIGSHJGFXTOY-OSYLJGHBSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccc1F)C2 ZINC001169108190 1132670094 /nfs/dbraw/zinc/67/00/94/1132670094.db2.gz PEHGEZAZBALZBZ-QDMKHBRRSA-N 2 1 330.369 3.602 20 0 EHADMP C[N@H+]1CCc2ccc(NC3=CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC001175507631 1132694810 /nfs/dbraw/zinc/69/48/10/1132694810.db2.gz VBADGQVURRNGAS-UHFFFAOYSA-N 2 1 333.479 3.876 20 0 EHADMP C[NH+]1CCc2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2C1 ZINC001175507631 1132694817 /nfs/dbraw/zinc/69/48/17/1132694817.db2.gz VBADGQVURRNGAS-UHFFFAOYSA-N 2 1 333.479 3.876 20 0 EHADMP C[NH+]1CCc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2C1 ZINC001175507631 1132694822 /nfs/dbraw/zinc/69/48/22/1132694822.db2.gz VBADGQVURRNGAS-UHFFFAOYSA-N 2 1 333.479 3.876 20 0 EHADMP CC(C)C[N@@H+](C[C@@H]1CCCC12CCOCC2)CC1CC[NH+](C)CC1 ZINC001175601653 1132708490 /nfs/dbraw/zinc/70/84/90/1132708490.db2.gz QQEWRBDJLPYUNU-FQEVSTJZSA-N 2 1 336.564 3.883 20 0 EHADMP C[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001175775282 1132763037 /nfs/dbraw/zinc/76/30/37/1132763037.db2.gz QDTSRBBTHSZJGK-OAHLLOKOSA-N 2 1 331.410 3.503 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013017 1132789082 /nfs/dbraw/zinc/78/90/82/1132789082.db2.gz OUACHMSYBJVQFW-AAEUAGOBSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1cc(C)[nH+]c(C)c1 ZINC001176051321 1132836505 /nfs/dbraw/zinc/83/65/05/1132836505.db2.gz DNXHBTQGQUNTFM-UHFFFAOYSA-N 2 1 331.217 3.583 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000767416922 1132995605 /nfs/dbraw/zinc/99/56/05/1132995605.db2.gz ZFPWYYJFPGMVIR-LJQANCHMSA-N 2 1 340.515 3.799 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000767416922 1132995610 /nfs/dbraw/zinc/99/56/10/1132995610.db2.gz ZFPWYYJFPGMVIR-LJQANCHMSA-N 2 1 340.515 3.799 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001177294960 1133047005 /nfs/dbraw/zinc/04/70/05/1133047005.db2.gz UORVWTMNLYUCQR-ROUUACIJSA-N 2 1 330.516 3.933 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)CCO1 ZINC001177454642 1133064374 /nfs/dbraw/zinc/06/43/74/1133064374.db2.gz UXFYMLPYLJVNMN-PVABEOQZSA-N 2 1 336.479 3.710 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)CCO1 ZINC001177454642 1133064379 /nfs/dbraw/zinc/06/43/79/1133064379.db2.gz UXFYMLPYLJVNMN-PVABEOQZSA-N 2 1 336.479 3.710 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC001177821659 1133100973 /nfs/dbraw/zinc/10/09/73/1133100973.db2.gz BTQKBOMSFHFSEY-FQEVSTJZSA-N 2 1 342.531 3.945 20 0 EHADMP CO[C@]1(C)C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1(C)C ZINC001177928658 1133115953 /nfs/dbraw/zinc/11/59/53/1133115953.db2.gz NXGAZOKJPJIBDI-WIYYLYMNSA-N 2 1 332.532 3.938 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)n2cccn2)CC1(C)C ZINC001177947800 1133120589 /nfs/dbraw/zinc/12/05/89/1133120589.db2.gz AFFDLCUGXDYSBX-QZTJIDSGSA-N 2 1 346.906 3.588 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148527 1133235155 /nfs/dbraw/zinc/23/51/55/1133235155.db2.gz NCEQGJOXSRVATR-IEBWSBKVSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148527 1133235162 /nfs/dbraw/zinc/23/51/62/1133235162.db2.gz NCEQGJOXSRVATR-IEBWSBKVSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148527 1133235166 /nfs/dbraw/zinc/23/51/66/1133235166.db2.gz NCEQGJOXSRVATR-IEBWSBKVSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148527 1133235172 /nfs/dbraw/zinc/23/51/72/1133235172.db2.gz NCEQGJOXSRVATR-IEBWSBKVSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148528 1133235274 /nfs/dbraw/zinc/23/52/74/1133235274.db2.gz NCEQGJOXSRVATR-MJGOQNOKSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148528 1133235279 /nfs/dbraw/zinc/23/52/79/1133235279.db2.gz NCEQGJOXSRVATR-MJGOQNOKSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148528 1133235284 /nfs/dbraw/zinc/23/52/84/1133235284.db2.gz NCEQGJOXSRVATR-MJGOQNOKSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148528 1133235291 /nfs/dbraw/zinc/23/52/91/1133235291.db2.gz NCEQGJOXSRVATR-MJGOQNOKSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@H]1C[N@@H+](Cc2c(F)cc(F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206028294 1133271363 /nfs/dbraw/zinc/27/13/63/1133271363.db2.gz YAFQVUJUMKRJKS-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP COC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC001179919928 1133306879 /nfs/dbraw/zinc/30/68/79/1133306879.db2.gz QJHBUEYFLJKOPY-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC001179919928 1133306883 /nfs/dbraw/zinc/30/68/83/1133306883.db2.gz QJHBUEYFLJKOPY-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 ZINC000769516984 1133307451 /nfs/dbraw/zinc/30/74/51/1133307451.db2.gz XQOHOBFGISGUON-AWEZNQCLSA-N 2 1 344.471 3.899 20 0 EHADMP Cc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351049 1133419358 /nfs/dbraw/zinc/41/93/58/1133419358.db2.gz IBEGHYBSTKLXFP-HZPDHXFCSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351049 1133419361 /nfs/dbraw/zinc/41/93/61/1133419361.db2.gz IBEGHYBSTKLXFP-HZPDHXFCSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351049 1133419365 /nfs/dbraw/zinc/41/93/65/1133419365.db2.gz IBEGHYBSTKLXFP-HZPDHXFCSA-N 2 1 344.528 3.533 20 0 EHADMP CC[C@@]1(O)CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001181073185 1133453885 /nfs/dbraw/zinc/45/38/85/1133453885.db2.gz NMYXYQUVNDFRTK-FGZHOGPDSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@]1(O)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001181073185 1133453886 /nfs/dbraw/zinc/45/38/86/1133453886.db2.gz NMYXYQUVNDFRTK-FGZHOGPDSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@]1(O)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001181073185 1133453888 /nfs/dbraw/zinc/45/38/88/1133453888.db2.gz NMYXYQUVNDFRTK-FGZHOGPDSA-N 2 1 344.543 3.772 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC001183094873 1133768571 /nfs/dbraw/zinc/76/85/71/1133768571.db2.gz LYKQDAZYOAAYBQ-VAMGGRTRSA-N 2 1 334.548 3.826 20 0 EHADMP CC[C@@H](C)[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698310 1133843110 /nfs/dbraw/zinc/84/31/10/1133843110.db2.gz XWQKACFHFPSSOM-PBASOCQRSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@@H](C)[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698310 1133843111 /nfs/dbraw/zinc/84/31/11/1133843111.db2.gz XWQKACFHFPSSOM-PBASOCQRSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@@H](C)[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698310 1133843115 /nfs/dbraw/zinc/84/31/15/1133843115.db2.gz XWQKACFHFPSSOM-PBASOCQRSA-N 2 1 330.516 3.501 20 0 EHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC001183960091 1133882162 /nfs/dbraw/zinc/88/21/62/1133882162.db2.gz VQOFBLUQBVVURE-JXFKEZNVSA-N 2 1 328.500 3.754 20 0 EHADMP FC(F)(F)Oc1cccc(CC[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC001184197144 1133906022 /nfs/dbraw/zinc/90/60/22/1133906022.db2.gz LRVPJFPXZFZSOG-UHFFFAOYSA-N 2 1 342.405 3.734 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184387467 1133933840 /nfs/dbraw/zinc/93/38/40/1133933840.db2.gz KRXMODMSMREDEZ-ODVANORSSA-N 2 1 326.406 3.566 20 0 EHADMP CC(C)[C@@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccc(F)cc1 ZINC001170066595 1133937871 /nfs/dbraw/zinc/93/78/71/1133937871.db2.gz KMWOSENYKJXOLC-LJQANCHMSA-N 2 1 338.430 3.969 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205303323 1133967830 /nfs/dbraw/zinc/96/78/30/1133967830.db2.gz CPBVPGNMCSKFLN-ZYHUDNBSSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205303323 1133967834 /nfs/dbraw/zinc/96/78/34/1133967834.db2.gz CPBVPGNMCSKFLN-ZYHUDNBSSA-N 2 1 336.785 3.655 20 0 EHADMP CC[N@@H+](Cc1ccc(F)nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787194637 1133973224 /nfs/dbraw/zinc/97/32/24/1133973224.db2.gz CACWDLPECGYZSU-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP CC[N@H+](Cc1ccc(F)nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787194637 1133973230 /nfs/dbraw/zinc/97/32/30/1133973230.db2.gz CACWDLPECGYZSU-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccc(F)nc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000787194637 1133973235 /nfs/dbraw/zinc/97/32/35/1133973235.db2.gz CACWDLPECGYZSU-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccc(F)nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000787194637 1133973236 /nfs/dbraw/zinc/97/32/36/1133973236.db2.gz CACWDLPECGYZSU-LJQANCHMSA-N 2 1 341.474 3.873 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671334 1133989235 /nfs/dbraw/zinc/98/92/35/1133989235.db2.gz INBFHMLIVCXHQW-WIYYLYMNSA-N 2 1 348.506 3.611 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671334 1133989244 /nfs/dbraw/zinc/98/92/44/1133989244.db2.gz INBFHMLIVCXHQW-WIYYLYMNSA-N 2 1 348.506 3.611 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000788257547 1134101874 /nfs/dbraw/zinc/10/18/74/1134101874.db2.gz PNWRRBXAYJOKSO-MRXNPFEDSA-N 2 1 337.439 3.945 20 0 EHADMP COC1(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCCC1 ZINC000790982117 1134495547 /nfs/dbraw/zinc/49/55/47/1134495547.db2.gz QRAWQYDATCOXQN-UHFFFAOYSA-N 2 1 345.531 3.836 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775376410 1134686179 /nfs/dbraw/zinc/68/61/79/1134686179.db2.gz WCEPBSNDMUBCJN-QBPKDAKJSA-N 2 1 328.591 3.610 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775375080 1134687779 /nfs/dbraw/zinc/68/77/79/1134687779.db2.gz IODQMUCZKSKCFS-WKULXVSPSA-N 2 1 342.618 3.714 20 0 EHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170189982 1134703084 /nfs/dbraw/zinc/70/30/84/1134703084.db2.gz CQPYFHBHQSSIKQ-LWYYNNOASA-N 2 1 346.515 3.725 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)ccc1OC ZINC000775393241 1134712343 /nfs/dbraw/zinc/71/23/43/1134712343.db2.gz FAZXRERJKWBTSV-ZWKOTPCHSA-N 2 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)NCC[N@H+]2CC[C@H](C)C2)ccc1OC ZINC000775393241 1134712347 /nfs/dbraw/zinc/71/23/47/1134712347.db2.gz FAZXRERJKWBTSV-ZWKOTPCHSA-N 2 1 347.547 3.529 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001170246416 1134721978 /nfs/dbraw/zinc/72/19/78/1134721978.db2.gz UMIQQIZDSVUBJU-FNAHDJPLSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001170246416 1134721984 /nfs/dbraw/zinc/72/19/84/1134721984.db2.gz UMIQQIZDSVUBJU-FNAHDJPLSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001170246416 1134721992 /nfs/dbraw/zinc/72/19/92/1134721992.db2.gz UMIQQIZDSVUBJU-FNAHDJPLSA-N 2 1 342.527 3.788 20 0 EHADMP Cc1c(C)c(C)c(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c(C)c1C ZINC001170366147 1134757763 /nfs/dbraw/zinc/75/77/63/1134757763.db2.gz VDUVBLDYMVYYNR-UHFFFAOYSA-N 2 1 346.559 3.801 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170423506 1134831374 /nfs/dbraw/zinc/83/13/74/1134831374.db2.gz FNYIXKMVSJGKFJ-KZNAEPCWSA-N 2 1 332.488 3.717 20 0 EHADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC001191871556 1134937289 /nfs/dbraw/zinc/93/72/89/1134937289.db2.gz SACHVEIXCZNXGO-GOSISDBHSA-N 2 1 338.923 3.790 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC001191871556 1134937296 /nfs/dbraw/zinc/93/72/96/1134937296.db2.gz SACHVEIXCZNXGO-GOSISDBHSA-N 2 1 338.923 3.790 20 0 EHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Br ZINC001205579580 1134966895 /nfs/dbraw/zinc/96/68/95/1134966895.db2.gz OBDRLOAQYZHROB-HNNXBMFYSA-N 2 1 347.247 3.550 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775512776 1134983155 /nfs/dbraw/zinc/98/31/55/1134983155.db2.gz MWJJASYGMSKRJB-OXJNMPFZSA-N 2 1 341.499 3.724 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1Br ZINC001205617542 1135085784 /nfs/dbraw/zinc/08/57/84/1135085784.db2.gz KOQNODQQXPDCEJ-DOMZBBRYSA-N 2 1 325.294 3.564 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](CC)Cc2ccc3c(c2)OCO3)CC1 ZINC001170456510 1135114522 /nfs/dbraw/zinc/11/45/22/1135114522.db2.gz SUSLIWSIVFHUOB-GOSISDBHSA-N 2 1 346.515 3.933 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641378 1135295568 /nfs/dbraw/zinc/29/55/68/1135295568.db2.gz XIOOSCUMPTVPST-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641378 1135295572 /nfs/dbraw/zinc/29/55/72/1135295572.db2.gz XIOOSCUMPTVPST-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641378 1135295575 /nfs/dbraw/zinc/29/55/75/1135295575.db2.gz XIOOSCUMPTVPST-JOCHJYFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641378 1135295580 /nfs/dbraw/zinc/29/55/80/1135295580.db2.gz XIOOSCUMPTVPST-JOCHJYFZSA-N 2 1 341.543 3.590 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641378 1135295582 /nfs/dbraw/zinc/29/55/82/1135295582.db2.gz XIOOSCUMPTVPST-JOCHJYFZSA-N 2 1 341.543 3.590 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC3CC3)C2)ccn1 ZINC001196393802 1135554656 /nfs/dbraw/zinc/55/46/56/1135554656.db2.gz RZOBFFBMVFTLBZ-HXUWFJFHSA-N 2 1 331.504 3.565 20 0 EHADMP CCCCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C ZINC000808696031 1135725409 /nfs/dbraw/zinc/72/54/09/1135725409.db2.gz SNSKFNVRBQTHQN-GOSISDBHSA-N 2 1 339.568 3.514 20 0 EHADMP CN(C)c1ccc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000775880143 1135837237 /nfs/dbraw/zinc/83/72/37/1135837237.db2.gz GHQDPGXUBBFVMM-NRFANRHFSA-N 2 1 329.532 3.806 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738778 1135883222 /nfs/dbraw/zinc/88/32/22/1135883222.db2.gz JJDMQLBFYADGPO-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC001199328763 1135898385 /nfs/dbraw/zinc/89/83/85/1135898385.db2.gz IUJVKDJKZHQFTF-OAQYLSRUSA-N 2 1 343.559 3.883 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NCC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001199721094 1135922833 /nfs/dbraw/zinc/92/28/33/1135922833.db2.gz DFQKJGOJBRSWBZ-VQTJNVASSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001199721094 1135922835 /nfs/dbraw/zinc/92/28/35/1135922835.db2.gz DFQKJGOJBRSWBZ-VQTJNVASSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199721094 1135922837 /nfs/dbraw/zinc/92/28/37/1135922837.db2.gz DFQKJGOJBRSWBZ-VQTJNVASSA-N 2 1 345.575 3.855 20 0 EHADMP COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001199823061 1135932936 /nfs/dbraw/zinc/93/29/36/1135932936.db2.gz MNBRUIWXOZXDCQ-UHFFFAOYSA-N 2 1 348.874 3.579 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(C)cc1Br ZINC001205915509 1136004852 /nfs/dbraw/zinc/00/48/52/1136004852.db2.gz PLZUQYAFGNAMKE-ZIAGYGMSSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(C)cc1Br ZINC001205915509 1136004856 /nfs/dbraw/zinc/00/48/56/1136004856.db2.gz PLZUQYAFGNAMKE-ZIAGYGMSSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](CCC(F)(F)F)CC2 ZINC001202320293 1136128881 /nfs/dbraw/zinc/12/88/81/1136128881.db2.gz ZQKBDGVNJSQRPJ-UHFFFAOYSA-N 2 1 345.409 3.674 20 0 EHADMP FC(F)(F)CCC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001202415660 1136138547 /nfs/dbraw/zinc/13/85/47/1136138547.db2.gz OHZKFTNXUCAQRX-UHFFFAOYSA-N 2 1 341.421 3.712 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000509465177 1136158796 /nfs/dbraw/zinc/15/87/96/1136158796.db2.gz QLPOKKORNJYBIM-MRXNPFEDSA-N 2 1 346.544 3.606 20 0 EHADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001170688091 1136258323 /nfs/dbraw/zinc/25/83/23/1136258323.db2.gz RZNBANSWHLAAOL-LPHOPBHVSA-N 2 1 346.478 3.978 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3COC4(CCC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000850523682 1136277552 /nfs/dbraw/zinc/27/75/52/1136277552.db2.gz NFBNLYXCFXNEPT-XSDIEEQYSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850529968 1136279336 /nfs/dbraw/zinc/27/93/36/1136279336.db2.gz VCGQIAKRLJCBRE-ZJMJOCHXSA-N 2 1 336.479 3.665 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850529968 1136279340 /nfs/dbraw/zinc/27/93/40/1136279340.db2.gz VCGQIAKRLJCBRE-ZJMJOCHXSA-N 2 1 336.479 3.665 20 0 EHADMP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880535 1136372259 /nfs/dbraw/zinc/37/22/59/1136372259.db2.gz GPPDXCRPGLUVOK-XCDJFROHSA-N 2 1 328.500 3.587 20 0 EHADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000852746934 1136482751 /nfs/dbraw/zinc/48/27/51/1136482751.db2.gz VCJDUTMWAXJHAL-QFIPXVFZSA-N 2 1 335.495 3.735 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2C)[C@@H](C)C1 ZINC000815580405 1136614074 /nfs/dbraw/zinc/61/40/74/1136614074.db2.gz JSDSAJQRWJGUOO-QKLQHJQFSA-N 2 1 336.495 3.922 20 0 EHADMP c1ccc(C[NH+]2CCC3(CCC[N@H+]([C@@H]4CCCOCC4)C3)CC2)cc1 ZINC001170834949 1136739725 /nfs/dbraw/zinc/73/97/25/1136739725.db2.gz QRFAXXGNLDCPNL-OAQYLSRUSA-N 2 1 342.527 3.934 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCC[C@H](C)C3)C2)ccn1 ZINC000856551308 1136793941 /nfs/dbraw/zinc/79/39/41/1136793941.db2.gz PEEBXFVZBICHGG-BBTUJRGHSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC[C@H](C)C3)C2)ccn1 ZINC000856551308 1136793942 /nfs/dbraw/zinc/79/39/42/1136793942.db2.gz PEEBXFVZBICHGG-BBTUJRGHSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC[C@H](C)C3)C2)ccn1 ZINC000856551308 1136793944 /nfs/dbraw/zinc/79/39/44/1136793944.db2.gz PEEBXFVZBICHGG-BBTUJRGHSA-N 2 1 345.531 3.813 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccsc3)C2)ccn1 ZINC000856560556 1136794771 /nfs/dbraw/zinc/79/47/71/1136794771.db2.gz IJSIQAUFDSUPCU-IBGZPJMESA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccsc3)C2)ccn1 ZINC000856560556 1136794774 /nfs/dbraw/zinc/79/47/74/1136794774.db2.gz IJSIQAUFDSUPCU-IBGZPJMESA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccsc3)C2)ccn1 ZINC000856560556 1136794776 /nfs/dbraw/zinc/79/47/76/1136794776.db2.gz IJSIQAUFDSUPCU-IBGZPJMESA-N 2 1 345.512 3.637 20 0 EHADMP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc3c(c2)CCCO3)cc1 ZINC000817912780 1136845695 /nfs/dbraw/zinc/84/56/95/1136845695.db2.gz XRTPEYYWUOBXCU-FANLQWHUSA-N 2 1 348.490 3.974 20 0 EHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817942577 1136849332 /nfs/dbraw/zinc/84/93/32/1136849332.db2.gz ARUWUEMFEPDSJK-MRXNPFEDSA-N 2 1 345.487 3.736 20 0 EHADMP Cc1cc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cn2cc[nH+]c12 ZINC000857272727 1136858777 /nfs/dbraw/zinc/85/87/77/1136858777.db2.gz PCCWXEOYDHAWCN-GOSISDBHSA-N 2 1 348.450 3.704 20 0 EHADMP Cc1cc(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cn2cc[nH+]c12 ZINC000857272727 1136858781 /nfs/dbraw/zinc/85/87/81/1136858781.db2.gz PCCWXEOYDHAWCN-GOSISDBHSA-N 2 1 348.450 3.704 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000818338818 1136872027 /nfs/dbraw/zinc/87/20/27/1136872027.db2.gz BYBHPQJVZQJQKO-OQEHDIDLSA-N 2 1 342.527 3.692 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000818971458 1136901039 /nfs/dbraw/zinc/90/10/39/1136901039.db2.gz WZWLWPSCKYGHCW-IBGZPJMESA-N 2 1 332.875 3.615 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819078554 1136911357 /nfs/dbraw/zinc/91/13/57/1136911357.db2.gz JQDBCPVDTACUEL-KKSFZXQISA-N 2 1 342.458 3.674 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000819078287 1136912022 /nfs/dbraw/zinc/91/20/22/1136912022.db2.gz IHQPSLQYNXFONT-PGRDOPGGSA-N 2 1 338.495 3.844 20 0 EHADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000857852118 1136913747 /nfs/dbraw/zinc/91/37/47/1136913747.db2.gz VUHHKOGBEUEUJH-FQEVSTJZSA-N 2 1 338.499 3.953 20 0 EHADMP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000857916379 1136922482 /nfs/dbraw/zinc/92/24/82/1136922482.db2.gz OUCOSWIFYXLQDX-SQNIBIBYSA-N 2 1 341.886 3.657 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000857916379 1136922484 /nfs/dbraw/zinc/92/24/84/1136922484.db2.gz OUCOSWIFYXLQDX-SQNIBIBYSA-N 2 1 341.886 3.657 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858169250 1136946191 /nfs/dbraw/zinc/94/61/91/1136946191.db2.gz NYWJMXYDKLGIAP-RDJZCZTQSA-N 2 1 345.487 3.557 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000824142648 1137125890 /nfs/dbraw/zinc/12/58/90/1137125890.db2.gz OVIODKUPYRLQAM-UHFFFAOYSA-N 2 1 325.447 3.694 20 0 EHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC1CC1 ZINC000862352312 1137139560 /nfs/dbraw/zinc/13/95/60/1137139560.db2.gz CYGALBVWZNCDSS-UHFFFAOYSA-N 2 1 344.499 3.544 20 0 EHADMP CC[C@]1([NH2+][C@@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246467729 1137183127 /nfs/dbraw/zinc/18/31/27/1137183127.db2.gz ZSGPLLNACXSMJM-BBRMVZONSA-N 2 1 325.294 3.502 20 0 EHADMP CC(C)O[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000794535120 1137191382 /nfs/dbraw/zinc/19/13/82/1137191382.db2.gz ZJAVCVSMQGRVMX-HXUWFJFHSA-N 2 1 330.516 3.961 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000844167014 1137201198 /nfs/dbraw/zinc/20/11/98/1137201198.db2.gz YPNGTKXTHCXPBX-GOSISDBHSA-N 2 1 329.488 3.517 20 0 EHADMP CC[N@@H+](Cc1ccc(OC)c(OC(F)(F)F)c1)C1CCN(C)CC1 ZINC001143873237 1137207437 /nfs/dbraw/zinc/20/74/37/1137207437.db2.gz MIMKZQSRQDUNFI-UHFFFAOYSA-N 2 1 346.393 3.510 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066014 1137216795 /nfs/dbraw/zinc/21/67/95/1137216795.db2.gz DQGNEXMEGZNHQC-JQHSSLGASA-N 2 1 334.529 3.703 20 0 EHADMP C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246546878 1137249538 /nfs/dbraw/zinc/24/95/38/1137249538.db2.gz AYLBOPOBKUKQIA-CZUORRHYSA-N 2 1 325.294 3.583 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772904823 1137230972 /nfs/dbraw/zinc/23/09/72/1137230972.db2.gz RHCCUYMPHUQRSH-FOIQADDNSA-N 2 1 337.467 3.697 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000339069668 1137233992 /nfs/dbraw/zinc/23/39/92/1137233992.db2.gz KKRIEPRIQCCWLW-LVCYWYKZSA-N 2 1 330.516 3.851 20 0 EHADMP CCc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144321528 1137272052 /nfs/dbraw/zinc/27/20/52/1137272052.db2.gz PCAHUAMLFDLYCN-YADHBBJMSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144321528 1137272054 /nfs/dbraw/zinc/27/20/54/1137272054.db2.gz PCAHUAMLFDLYCN-YADHBBJMSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144321528 1137272056 /nfs/dbraw/zinc/27/20/56/1137272056.db2.gz PCAHUAMLFDLYCN-YADHBBJMSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144321528 1137272057 /nfs/dbraw/zinc/27/20/57/1137272057.db2.gz PCAHUAMLFDLYCN-YADHBBJMSA-N 2 1 335.495 3.598 20 0 EHADMP Fc1cccc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cnc12 ZINC000865484459 1137287745 /nfs/dbraw/zinc/28/77/45/1137287745.db2.gz XCYYXJYFBJWHRP-UHFFFAOYSA-N 2 1 327.447 3.871 20 0 EHADMP C[NH+](C)C1(C)CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000865765299 1137309862 /nfs/dbraw/zinc/30/98/62/1137309862.db2.gz PTPQWZVSKAKELC-UHFFFAOYSA-N 3 1 343.559 3.546 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@](C)(O)c1ccccc1 ZINC000846036096 1137328673 /nfs/dbraw/zinc/32/86/73/1137328673.db2.gz IYDXYVVCDDKUFD-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866250313 1137339205 /nfs/dbraw/zinc/33/92/05/1137339205.db2.gz YINOVCUIFGAJHX-DENIHFKCSA-N 2 1 337.511 3.905 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000846176515 1137339602 /nfs/dbraw/zinc/33/96/02/1137339602.db2.gz FWOMCSFJBPENPQ-KRWDZBQOSA-N 2 1 347.503 3.662 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000846176515 1137339603 /nfs/dbraw/zinc/33/96/03/1137339603.db2.gz FWOMCSFJBPENPQ-KRWDZBQOSA-N 2 1 347.503 3.662 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)oc1C ZINC000282709660 1137440012 /nfs/dbraw/zinc/44/00/12/1137440012.db2.gz LJMWBDGFSSTMGF-OXJNMPFZSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)oc1C ZINC000282709660 1137440013 /nfs/dbraw/zinc/44/00/13/1137440013.db2.gz LJMWBDGFSSTMGF-OXJNMPFZSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000773078117 1137463708 /nfs/dbraw/zinc/46/37/08/1137463708.db2.gz VCZQUHQYONEVNK-CRAIPNDOSA-N 2 1 329.513 3.637 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171404853 1137472633 /nfs/dbraw/zinc/47/26/33/1137472633.db2.gz NEXLBTGKFCOBNX-SFHVURJKSA-N 2 1 339.458 3.645 20 0 EHADMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000715237203 1137476176 /nfs/dbraw/zinc/47/61/76/1137476176.db2.gz VAVWEUNRRTUVBW-UBHSMVFVSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000715237203 1137476177 /nfs/dbraw/zinc/47/61/77/1137476177.db2.gz VAVWEUNRRTUVBW-UBHSMVFVSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000715449244 1137476679 /nfs/dbraw/zinc/47/66/79/1137476679.db2.gz BVUWAHHIXQZLHM-OTNPHJDUSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000715449244 1137476680 /nfs/dbraw/zinc/47/66/80/1137476680.db2.gz BVUWAHHIXQZLHM-OTNPHJDUSA-N 2 1 328.500 3.587 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625764 1137487901 /nfs/dbraw/zinc/48/79/01/1137487901.db2.gz MUYCLMYVALIOES-ITBHCLRTSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716625764 1137487902 /nfs/dbraw/zinc/48/79/02/1137487902.db2.gz MUYCLMYVALIOES-ITBHCLRTSA-N 3 1 341.543 3.502 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716625764 1137487903 /nfs/dbraw/zinc/48/79/03/1137487903.db2.gz MUYCLMYVALIOES-ITBHCLRTSA-N 3 1 341.543 3.502 20 0 EHADMP CCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000716682874 1137488434 /nfs/dbraw/zinc/48/84/34/1137488434.db2.gz QOVPGKBDMUAXBU-ACRUOGEOSA-N 2 1 342.527 3.836 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC001171628687 1137499604 /nfs/dbraw/zinc/49/96/04/1137499604.db2.gz GIULZRXBNQFBGJ-LJQANCHMSA-N 2 1 329.532 3.627 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171743572 1137508285 /nfs/dbraw/zinc/50/82/85/1137508285.db2.gz CAFZABARCNPKSU-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171743572 1137508286 /nfs/dbraw/zinc/50/82/86/1137508286.db2.gz CAFZABARCNPKSU-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743572 1137508287 /nfs/dbraw/zinc/50/82/87/1137508287.db2.gz CAFZABARCNPKSU-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743572 1137508288 /nfs/dbraw/zinc/50/82/88/1137508288.db2.gz CAFZABARCNPKSU-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP COc1cccc2c(C[NH3+])cn([C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171734151 1137510270 /nfs/dbraw/zinc/51/02/70/1137510270.db2.gz MBQUNJLAHSAPIE-LPHOPBHVSA-N 2 1 349.478 3.944 20 0 EHADMP CC(C)C[N@@H+]([C@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171742541 1137511442 /nfs/dbraw/zinc/51/14/42/1137511442.db2.gz WHVPWHDRYAJDSG-QESAQDPVSA-N 2 1 343.559 3.877 20 0 EHADMP Fc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001171781168 1137512122 /nfs/dbraw/zinc/51/21/22/1137512122.db2.gz XPIGVKNMXUSWDI-HXUWFJFHSA-N 2 1 338.470 3.590 20 0 EHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786551 1137512231 /nfs/dbraw/zinc/51/22/31/1137512231.db2.gz BBPUDWPKOLBALH-HNNXBMFYSA-N 2 1 344.861 3.896 20 0 EHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807992 1137513851 /nfs/dbraw/zinc/51/38/51/1137513851.db2.gz WWGAKUYACKNBPZ-UYAOXDASSA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807992 1137513852 /nfs/dbraw/zinc/51/38/52/1137513852.db2.gz WWGAKUYACKNBPZ-UYAOXDASSA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807992 1137513854 /nfs/dbraw/zinc/51/38/54/1137513854.db2.gz WWGAKUYACKNBPZ-UYAOXDASSA-N 2 1 338.470 3.747 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171967805 1137520667 /nfs/dbraw/zinc/52/06/67/1137520667.db2.gz NHPIYAGLWFORML-PMACEKPBSA-N 2 1 330.516 3.978 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171970581 1137523796 /nfs/dbraw/zinc/52/37/96/1137523796.db2.gz DFVFQRDYEVBWCK-UFYCRDLUSA-N 2 1 330.516 3.570 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171973391 1137524211 /nfs/dbraw/zinc/52/42/11/1137524211.db2.gz YCGCVIGMXQDLPO-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171973391 1137524212 /nfs/dbraw/zinc/52/42/12/1137524212.db2.gz YCGCVIGMXQDLPO-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171973391 1137524213 /nfs/dbraw/zinc/52/42/13/1137524213.db2.gz YCGCVIGMXQDLPO-MXEMCNAFSA-N 2 1 341.543 3.644 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171974398 1137524430 /nfs/dbraw/zinc/52/44/30/1137524430.db2.gz FNPSEHXQJALFAF-SFHVURJKSA-N 2 1 327.447 3.754 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001171974398 1137524432 /nfs/dbraw/zinc/52/44/32/1137524432.db2.gz FNPSEHXQJALFAF-SFHVURJKSA-N 2 1 327.447 3.754 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2cccc3ccnn32)CC[N@@H+]1Cc1ccccc1 ZINC001171974993 1137524719 /nfs/dbraw/zinc/52/47/19/1137524719.db2.gz JNOAEQCCIQTOBU-LJQANCHMSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2cccc3ccnn32)CC[N@H+]1Cc1ccccc1 ZINC001171974993 1137524721 /nfs/dbraw/zinc/52/47/21/1137524721.db2.gz JNOAEQCCIQTOBU-LJQANCHMSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171979756 1137525768 /nfs/dbraw/zinc/52/57/68/1137525768.db2.gz QOYFQYNYDLTNRW-HSALFYBXSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)n1cncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979749 1137525916 /nfs/dbraw/zinc/52/59/16/1137525916.db2.gz NNHHGVUANSJRSF-IBGZPJMESA-N 2 1 340.515 3.997 20 0 EHADMP CC(C)n1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979749 1137525917 /nfs/dbraw/zinc/52/59/17/1137525917.db2.gz NNHHGVUANSJRSF-IBGZPJMESA-N 2 1 340.515 3.997 20 0 EHADMP CC(C)(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985912 1137527009 /nfs/dbraw/zinc/52/70/09/1137527009.db2.gz DGLYGTLOGUMVOJ-FQEVSTJZSA-N 2 1 343.559 3.846 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983491 1137527141 /nfs/dbraw/zinc/52/71/41/1137527141.db2.gz XUNCOOJIWYBCTF-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983491 1137527143 /nfs/dbraw/zinc/52/71/43/1137527143.db2.gz XUNCOOJIWYBCTF-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983491 1137527145 /nfs/dbraw/zinc/52/71/45/1137527145.db2.gz XUNCOOJIWYBCTF-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP Cc1ccnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171983538 1137527442 /nfs/dbraw/zinc/52/74/42/1137527442.db2.gz PBCYHSHAMGXFTB-NRFANRHFSA-N 2 1 337.511 3.965 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987881 1137527709 /nfs/dbraw/zinc/52/77/09/1137527709.db2.gz LJVIOLJLCVFQPS-IBGZPJMESA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987881 1137527711 /nfs/dbraw/zinc/52/77/11/1137527711.db2.gz LJVIOLJLCVFQPS-IBGZPJMESA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001171987881 1137527713 /nfs/dbraw/zinc/52/77/13/1137527713.db2.gz LJVIOLJLCVFQPS-IBGZPJMESA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001171987881 1137527715 /nfs/dbraw/zinc/52/77/15/1137527715.db2.gz LJVIOLJLCVFQPS-IBGZPJMESA-N 2 1 330.516 3.931 20 0 EHADMP O=C1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172077439 1137530529 /nfs/dbraw/zinc/53/05/29/1137530529.db2.gz SIJBFFKALRQXBY-LWYYNNOASA-N 2 1 326.484 3.673 20 0 EHADMP O=C1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172077439 1137530531 /nfs/dbraw/zinc/53/05/31/1137530531.db2.gz SIJBFFKALRQXBY-LWYYNNOASA-N 2 1 326.484 3.673 20 0 EHADMP C[C@]1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001172080408 1137530863 /nfs/dbraw/zinc/53/08/63/1137530863.db2.gz VMLBFQLRCNPUFF-WOZUAGRISA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@]1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCOC1 ZINC001172080407 1137530984 /nfs/dbraw/zinc/53/09/84/1137530984.db2.gz VMLBFQLRCNPUFF-PLACYPQZSA-N 2 1 328.500 3.731 20 0 EHADMP CO[C@@H](C)C1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086575 1137532040 /nfs/dbraw/zinc/53/20/40/1137532040.db2.gz HLOVXRBHJWXIDX-VRXWPRPYSA-N 2 1 328.500 3.539 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172101886 1137532614 /nfs/dbraw/zinc/53/26/14/1137532614.db2.gz IBLXMCQETCPONZ-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172101886 1137532616 /nfs/dbraw/zinc/53/26/16/1137532616.db2.gz IBLXMCQETCPONZ-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172101886 1137532618 /nfs/dbraw/zinc/53/26/18/1137532618.db2.gz IBLXMCQETCPONZ-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001172098159 1137532641 /nfs/dbraw/zinc/53/26/41/1137532641.db2.gz AVHYQFQIRFSFGD-PHZGNYQRSA-N 2 1 341.268 3.693 20 0 EHADMP C[NH+](C)CCC(C)(C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063288 1137532989 /nfs/dbraw/zinc/53/29/89/1137532989.db2.gz BQWJAXWFMDNRCY-WKCHPHFGSA-N 2 1 343.559 3.892 20 0 EHADMP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063625 1137533259 /nfs/dbraw/zinc/53/32/59/1137533259.db2.gz AIDURJUQTVHZKV-NCYKPQTJSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H]1COCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068847 1137534616 /nfs/dbraw/zinc/53/46/16/1137534616.db2.gz LMAMPZXVOHELGL-WJMWBRGCSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1COCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068847 1137534617 /nfs/dbraw/zinc/53/46/17/1137534617.db2.gz LMAMPZXVOHELGL-WJMWBRGCSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1COCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068847 1137534618 /nfs/dbraw/zinc/53/46/18/1137534618.db2.gz LMAMPZXVOHELGL-WJMWBRGCSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1COCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068847 1137534619 /nfs/dbraw/zinc/53/46/19/1137534619.db2.gz LMAMPZXVOHELGL-WJMWBRGCSA-N 2 1 328.500 3.540 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C2 ZINC001172102260 1137536493 /nfs/dbraw/zinc/53/64/93/1137536493.db2.gz LMZMYWMLRVCNSY-QDMKHBRRSA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Oc3ccccn3)cc1)C2 ZINC001172112374 1137537482 /nfs/dbraw/zinc/53/74/82/1137537482.db2.gz VXTCOUHNNLAORO-REPLKXPHSA-N 2 1 337.467 3.979 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](Nc1ccc(C[NH3+])cc1C(F)(F)F)C2 ZINC001172113456 1137537896 /nfs/dbraw/zinc/53/78/96/1137537896.db2.gz DECVDAFQFMZFGQ-BTTYYORXSA-N 2 1 327.394 3.591 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172115885 1137538120 /nfs/dbraw/zinc/53/81/20/1137538120.db2.gz VSOJTMBZBFIJNT-WKCHPHFGSA-N 2 1 333.564 3.636 20 0 EHADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172190377 1137539471 /nfs/dbraw/zinc/53/94/71/1137539471.db2.gz KZLMGUMJUHSYGJ-RBUKOAKNSA-N 2 1 326.509 3.986 20 0 EHADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172190379 1137539482 /nfs/dbraw/zinc/53/94/82/1137539482.db2.gz KZLMGUMJUHSYGJ-RTBURBONSA-N 2 1 326.509 3.986 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172293893 1137548586 /nfs/dbraw/zinc/54/85/86/1137548586.db2.gz UGQBGHXRIQMVST-SFHVURJKSA-N 2 1 336.907 3.804 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172293893 1137548587 /nfs/dbraw/zinc/54/85/87/1137548587.db2.gz UGQBGHXRIQMVST-SFHVURJKSA-N 2 1 336.907 3.804 20 0 EHADMP CC[C@@H](CC(C)C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001172404040 1137555590 /nfs/dbraw/zinc/55/55/90/1137555590.db2.gz YBTMASDEOPNZQW-IBGZPJMESA-N 2 1 332.536 3.675 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001172423355 1137556556 /nfs/dbraw/zinc/55/65/56/1137556556.db2.gz HEVVKCPQEDBLLC-OAHLLOKOSA-N 2 1 347.890 3.825 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc(O)ccc1F ZINC000872019521 1137564916 /nfs/dbraw/zinc/56/49/16/1137564916.db2.gz WNYWDDFKMRSOKK-HNNXBMFYSA-N 2 1 328.431 3.978 20 0 EHADMP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000872019106 1137564919 /nfs/dbraw/zinc/56/49/19/1137564919.db2.gz SPBTZMPUCYDWGP-QGZVFWFLSA-N 2 1 344.421 3.730 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872061442 1137568934 /nfs/dbraw/zinc/56/89/34/1137568934.db2.gz YQDWZAQVEKZSPD-PMXSJFBMSA-N 2 1 330.516 3.692 20 0 EHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000872105333 1137571262 /nfs/dbraw/zinc/57/12/62/1137571262.db2.gz AWIISEYPGKFTIH-UHFFFAOYSA-N 2 1 349.316 3.697 20 0 EHADMP Brc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000872107395 1137571541 /nfs/dbraw/zinc/57/15/41/1137571541.db2.gz QBXLTCNGEHEUNK-SJORKVTESA-N 2 1 349.316 3.697 20 0 EHADMP Cc1ccc(-c2noc([C@H](C)[N@@H+](C)CCCCCC[NH3+])n2)cc1F ZINC000872155452 1137574130 /nfs/dbraw/zinc/57/41/30/1137574130.db2.gz SIHGUHCTVKDEEJ-AWEZNQCLSA-N 2 1 334.439 3.696 20 0 EHADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231745 1137594539 /nfs/dbraw/zinc/59/45/39/1137594539.db2.gz CZJRNUXLRBUSFK-XLIONFOSSA-N 2 1 332.536 3.892 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cc(N)cc(F)c2)CC1 ZINC000873289463 1137596689 /nfs/dbraw/zinc/59/66/89/1137596689.db2.gz VLRXQLSVVDLKRF-UHFFFAOYSA-N 2 1 341.474 3.941 20 0 EHADMP Cc1cc(N2CC[NH+](Cc3cnn(C(C)C)c3)CC2)c2ccccc2[nH+]1 ZINC001137072859 1137605886 /nfs/dbraw/zinc/60/58/86/1137605886.db2.gz KTEZJQWMLANSLQ-UHFFFAOYSA-N 2 1 349.482 3.643 20 0 EHADMP Fc1cc(F)cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000124667753 1137606806 /nfs/dbraw/zinc/60/68/06/1137606806.db2.gz CGTNWQOXJGXPGY-UHFFFAOYSA-N 2 1 330.422 3.762 20 0 EHADMP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001137080874 1137616699 /nfs/dbraw/zinc/61/66/99/1137616699.db2.gz XIFJCSFSAYDIDU-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876931519 1137665678 /nfs/dbraw/zinc/66/56/78/1137665678.db2.gz NXTDZECLZNFYQB-HNNXBMFYSA-N 2 1 344.890 3.794 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876931519 1137665679 /nfs/dbraw/zinc/66/56/79/1137665679.db2.gz NXTDZECLZNFYQB-HNNXBMFYSA-N 2 1 344.890 3.794 20 0 EHADMP Clc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn1 ZINC000876991474 1137667151 /nfs/dbraw/zinc/66/71/51/1137667151.db2.gz YQJCZJMNJXYBKR-UHFFFAOYSA-N 2 1 344.890 3.796 20 0 EHADMP CC1(O)CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877075878 1137669636 /nfs/dbraw/zinc/66/96/36/1137669636.db2.gz QZQXTWSZVURQTA-JLMIFGBASA-N 2 1 328.500 3.638 20 0 EHADMP CC1(O)CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877075878 1137669637 /nfs/dbraw/zinc/66/96/37/1137669637.db2.gz QZQXTWSZVURQTA-JLMIFGBASA-N 2 1 328.500 3.638 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000877472061 1137677388 /nfs/dbraw/zinc/67/73/88/1137677388.db2.gz IULSCMVKIYFADX-SXLOBPIMSA-N 2 1 330.516 3.740 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)(C)O ZINC000877472061 1137677389 /nfs/dbraw/zinc/67/73/89/1137677389.db2.gz IULSCMVKIYFADX-SXLOBPIMSA-N 2 1 330.516 3.740 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)O2)cc1 ZINC000878132638 1137703850 /nfs/dbraw/zinc/70/38/50/1137703850.db2.gz ARDHROHIXOEWAJ-NRSPTQNISA-N 2 1 328.500 3.715 20 0 EHADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)n1 ZINC000878252352 1137708675 /nfs/dbraw/zinc/70/86/75/1137708675.db2.gz JLUUEMQIIFUZPF-OTWHNJEPSA-N 2 1 325.456 3.900 20 0 EHADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000879570030 1137751411 /nfs/dbraw/zinc/75/14/11/1137751411.db2.gz DQBSOTZYJPTDKT-KDOFPFPSSA-N 2 1 331.847 3.521 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099083 1137768185 /nfs/dbraw/zinc/76/81/85/1137768185.db2.gz FPYULXXHPSDYBM-GFCCVEGCSA-N 2 1 326.366 3.736 20 0 EHADMP CC(C)c1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000882881298 1137836609 /nfs/dbraw/zinc/83/66/09/1137836609.db2.gz HAFAXFNVBCQHIF-UHFFFAOYSA-N 2 1 326.488 3.809 20 0 EHADMP CC[C@@H](C)c1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130623534 1137840145 /nfs/dbraw/zinc/84/01/45/1137840145.db2.gz NHVBEJDWXDASLM-MRXNPFEDSA-N 2 1 342.487 3.666 20 0 EHADMP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130623534 1137840146 /nfs/dbraw/zinc/84/01/46/1137840146.db2.gz NHVBEJDWXDASLM-MRXNPFEDSA-N 2 1 342.487 3.666 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H]4CC[C@@H](C4)C3)CC2)oc1C ZINC000882993039 1137840776 /nfs/dbraw/zinc/84/07/76/1137840776.db2.gz FBVGPDRNLCOLKX-BWTSREIZSA-N 2 1 331.504 3.672 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(Cl)c1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883083843 1137844087 /nfs/dbraw/zinc/84/40/87/1137844087.db2.gz AGACWIBUYCZLPE-QAPCUYQASA-N 2 1 343.902 3.922 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)cc1 ZINC000883167729 1137846952 /nfs/dbraw/zinc/84/69/52/1137846952.db2.gz FWHKYRUOQNAVAT-FQEVSTJZSA-N 2 1 332.463 3.510 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2sccc2Br)CC1(C)C ZINC000883283254 1137852477 /nfs/dbraw/zinc/85/24/77/1137852477.db2.gz XPBOUPNXBFAYJF-NSHDSACASA-N 2 1 331.323 3.516 20 0 EHADMP CC(C)(C)CC[N@@H+](CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883462337 1137861005 /nfs/dbraw/zinc/86/10/05/1137861005.db2.gz OREHKISLUHDGQG-UHFFFAOYSA-N 2 1 344.503 3.744 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000348257225 1137885383 /nfs/dbraw/zinc/88/53/83/1137885383.db2.gz PGZKAVJAGCGOHW-UHFFFAOYSA-N 2 1 342.270 3.899 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000348257225 1137885384 /nfs/dbraw/zinc/88/53/84/1137885384.db2.gz PGZKAVJAGCGOHW-UHFFFAOYSA-N 2 1 342.270 3.899 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2cccc(F)c2)[C@@H](C)C1 ZINC000885988402 1138030459 /nfs/dbraw/zinc/03/04/59/1138030459.db2.gz IKBNDIWZODCUAC-FFJFPXHCSA-N 2 1 334.479 3.566 20 0 EHADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCC4(CCC4)CO3)CC2)n2c1CCCC2 ZINC000886179580 1138056407 /nfs/dbraw/zinc/05/64/07/1138056407.db2.gz YKDJKBFQHQIYQC-LJQANCHMSA-N 2 1 343.515 3.748 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886286792 1138064551 /nfs/dbraw/zinc/06/45/51/1138064551.db2.gz CSCMRTYVQQWNGH-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886286792 1138064552 /nfs/dbraw/zinc/06/45/52/1138064552.db2.gz CSCMRTYVQQWNGH-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOC2(CCC2)C1 ZINC000886345071 1138069894 /nfs/dbraw/zinc/06/98/94/1138069894.db2.gz RCQYCEZCBJMEKG-NRFANRHFSA-N 2 1 342.527 3.980 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000886506374 1138086163 /nfs/dbraw/zinc/08/61/63/1138086163.db2.gz OKYYCDZUDSNSGU-VCBZYWHSSA-N 2 1 327.447 3.901 20 0 EHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000886534524 1138091849 /nfs/dbraw/zinc/09/18/49/1138091849.db2.gz KASZEMIQQBUUPN-WSWWRLHASA-N 2 1 342.527 3.834 20 0 EHADMP CC1(C)[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1(F)F ZINC000886638478 1138104535 /nfs/dbraw/zinc/10/45/35/1138104535.db2.gz VOFXXYQROOQLCW-XSLAGTTESA-N 2 1 334.454 3.920 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597806 1138238757 /nfs/dbraw/zinc/23/87/57/1138238757.db2.gz FLDUVWHYWAHSOC-OAHLLOKOSA-N 2 1 344.890 3.648 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597806 1138238758 /nfs/dbraw/zinc/23/87/58/1138238758.db2.gz FLDUVWHYWAHSOC-OAHLLOKOSA-N 2 1 344.890 3.648 20 0 EHADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123558031 1138271366 /nfs/dbraw/zinc/27/13/66/1138271366.db2.gz FMGNTHPILZMWKD-UHFFFAOYSA-N 2 1 345.531 3.550 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(F)ccc2F)[C@H](C)C1 ZINC000125077722 1138300507 /nfs/dbraw/zinc/30/05/07/1138300507.db2.gz GTZAYGZPRWYGFY-VCBZYWHSSA-N 2 1 340.458 3.752 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@H](C)C1 ZINC000129315164 1138408927 /nfs/dbraw/zinc/40/89/27/1138408927.db2.gz ZDYSKEMMNDASSR-PBHICJAKSA-N 2 1 344.421 3.585 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@@H]3CCCCO3)CC2)cc1 ZINC000129494531 1138412531 /nfs/dbraw/zinc/41/25/31/1138412531.db2.gz QRDBWKAPCFHDFL-NRFANRHFSA-N 2 1 330.516 3.632 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccc3)CC2)oc1C ZINC000129499231 1138413203 /nfs/dbraw/zinc/41/32/03/1138413203.db2.gz OBKKHJAJBSAAIA-MRXNPFEDSA-N 2 1 327.472 3.854 20 0 EHADMP CCCCc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)cs1 ZINC000337079073 1138462030 /nfs/dbraw/zinc/46/20/30/1138462030.db2.gz TZOFGGNEHPWKPJ-SJLPKXTDSA-N 2 1 329.513 3.660 20 0 EHADMP CCCCc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)cs1 ZINC000337079073 1138462032 /nfs/dbraw/zinc/46/20/32/1138462032.db2.gz TZOFGGNEHPWKPJ-SJLPKXTDSA-N 2 1 329.513 3.660 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000337338271 1138538160 /nfs/dbraw/zinc/53/81/60/1138538160.db2.gz NQYOIXRBVKETFQ-QGZVFWFLSA-N 2 1 330.472 3.815 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000132754992 1138600484 /nfs/dbraw/zinc/60/04/84/1138600484.db2.gz CAVUQPZLXQICED-CYBMUJFWSA-N 2 1 328.847 3.819 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)c2)CCO1 ZINC000337991745 1138718419 /nfs/dbraw/zinc/71/84/19/1138718419.db2.gz WXUCHFWWJJITNS-CZAAIQMYSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)c2)CCO1 ZINC000337991745 1138718421 /nfs/dbraw/zinc/71/84/21/1138718421.db2.gz WXUCHFWWJJITNS-CZAAIQMYSA-N 2 1 328.500 3.576 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000136302163 1138793862 /nfs/dbraw/zinc/79/38/62/1138793862.db2.gz TWECTCGKAWDLBD-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000136302163 1138793865 /nfs/dbraw/zinc/79/38/65/1138793865.db2.gz TWECTCGKAWDLBD-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000152477547 1139092770 /nfs/dbraw/zinc/09/27/70/1139092770.db2.gz IHSHBTWITHBMIP-QWHCGFSZSA-N 2 1 328.378 3.720 20 0 EHADMP C[C@H](CCc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000177325344 1139612858 /nfs/dbraw/zinc/61/28/58/1139612858.db2.gz AXWGLTXEFVAFAC-LJQANCHMSA-N 2 1 330.516 3.632 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000177814052 1139643479 /nfs/dbraw/zinc/64/34/79/1139643479.db2.gz RILGYTPVJFGTKP-WCQYABFASA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814052 1139643481 /nfs/dbraw/zinc/64/34/81/1139643481.db2.gz RILGYTPVJFGTKP-WCQYABFASA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814052 1139643482 /nfs/dbraw/zinc/64/34/82/1139643482.db2.gz RILGYTPVJFGTKP-WCQYABFASA-N 2 1 329.257 3.503 20 0 EHADMP Cc1noc(C)c1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000178439302 1139695419 /nfs/dbraw/zinc/69/54/19/1139695419.db2.gz BVTMDHMHYIMTHS-GJZGRUSLSA-N 2 1 327.472 3.538 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000182226578 1139959145 /nfs/dbraw/zinc/95/91/45/1139959145.db2.gz HUDSQKFMLDGCJW-HRAATJIYSA-N 2 1 342.458 3.633 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000182225415 1139959588 /nfs/dbraw/zinc/95/95/88/1139959588.db2.gz YPAVYKTUTZSCOD-QFBILLFUSA-N 2 1 344.524 3.864 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000186903748 1140227017 /nfs/dbraw/zinc/22/70/17/1140227017.db2.gz XAZVYCAVXKOSKM-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000186903748 1140227020 /nfs/dbraw/zinc/22/70/20/1140227020.db2.gz XAZVYCAVXKOSKM-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000186903748 1140227022 /nfs/dbraw/zinc/22/70/22/1140227022.db2.gz XAZVYCAVXKOSKM-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000186903748 1140227024 /nfs/dbraw/zinc/22/70/24/1140227024.db2.gz XAZVYCAVXKOSKM-KRWDZBQOSA-N 2 1 339.483 3.531 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187777825 1140271041 /nfs/dbraw/zinc/27/10/41/1140271041.db2.gz CSVGBLKVNPYECE-LPHOPBHVSA-N 2 1 344.478 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187777825 1140271045 /nfs/dbraw/zinc/27/10/45/1140271045.db2.gz CSVGBLKVNPYECE-LPHOPBHVSA-N 2 1 344.478 3.882 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000188445907 1140296681 /nfs/dbraw/zinc/29/66/81/1140296681.db2.gz BAFOLVCPHJBEDW-SFTDATJTSA-N 2 1 342.458 3.633 20 0 EHADMP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192492965 1140535620 /nfs/dbraw/zinc/53/56/20/1140535620.db2.gz XAHFMBWVNXQKFW-LAUBAEHRSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccnn1C ZINC000192676136 1140544514 /nfs/dbraw/zinc/54/45/14/1140544514.db2.gz JURCNWVCDCNQTG-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835582 1141004767 /nfs/dbraw/zinc/00/47/67/1141004767.db2.gz RXHASIMEZNGCGP-UONOGXRCSA-N 2 1 342.405 3.763 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000268851658 1141007797 /nfs/dbraw/zinc/00/77/97/1141007797.db2.gz KGQIMOIZLJHCGE-ZIAGYGMSSA-N 2 1 328.485 3.973 20 0 EHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000268896467 1141020008 /nfs/dbraw/zinc/02/00/08/1141020008.db2.gz KGZRIRFTGJEUKY-IAGOWNOFSA-N 2 1 330.472 3.629 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928659 1141028034 /nfs/dbraw/zinc/02/80/34/1141028034.db2.gz YUPLIQGJKKFQLJ-ROUUACIJSA-N 2 1 326.488 3.643 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000268986280 1141039148 /nfs/dbraw/zinc/03/91/48/1141039148.db2.gz LPGKCHOBEVGBLE-KUHUBIRLSA-N 2 1 341.480 3.801 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3nc(-c4ccccc4)cs3)CC[C@H]21 ZINC000271360189 1141350981 /nfs/dbraw/zinc/35/09/81/1141350981.db2.gz QTDVCACFPADKNJ-FUHWJXTLSA-N 2 1 327.497 3.726 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271511750 1141385309 /nfs/dbraw/zinc/38/53/09/1141385309.db2.gz NVZOXWLMXFTEKW-KFKAGJAMSA-N 2 1 342.483 3.770 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000271564788 1141399021 /nfs/dbraw/zinc/39/90/21/1141399021.db2.gz UVADHUDILWPOIT-SFTDATJTSA-N 2 1 344.543 3.877 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000339182411 1141520524 /nfs/dbraw/zinc/52/05/24/1141520524.db2.gz KBBBURLXIIDQLD-UHFFFAOYSA-N 2 1 327.472 3.759 20 0 EHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000348805328 1141582532 /nfs/dbraw/zinc/58/25/32/1141582532.db2.gz RSRFITCYMULMIB-HNNXBMFYSA-N 2 1 338.455 3.687 20 0 EHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCCC[NH2+]3)CC2)nc1 ZINC001164387750 718803764 /nfs/dbraw/zinc/80/37/64/718803764.db2.gz OBZJHASQAJMTLX-IBGZPJMESA-N 2 1 342.531 3.741 20 0 EHADMP c1cc2c[nH+]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2[nH]1 ZINC001164628887 719059950 /nfs/dbraw/zinc/05/99/50/719059950.db2.gz UHFRPPMADIJZQN-QUCCMNQESA-N 2 1 332.451 3.664 20 0 EHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1cc(Br)ccc1Cl)CC2 ZINC001237357251 1125457725 /nfs/dbraw/zinc/45/77/25/1125457725.db2.gz RABQRQCAWBVKGC-CQSZACIVSA-N 2 1 343.696 3.806 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000274763978 1015018312 /nfs/dbraw/zinc/01/83/12/1015018312.db2.gz KSGPBNTVLIXFNK-SOLBZPMBSA-N 2 1 329.513 3.747 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000274763964 1015018885 /nfs/dbraw/zinc/01/88/85/1015018885.db2.gz KSGPBNTVLIXFNK-JFIYKMOQSA-N 2 1 329.513 3.747 20 0 EHADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000683228105 1015161615 /nfs/dbraw/zinc/16/16/15/1015161615.db2.gz UCPHSJPCKBGPAC-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000537946550 1015183653 /nfs/dbraw/zinc/18/36/53/1015183653.db2.gz KHZHCXOKAGCJFO-QZTJIDSGSA-N 2 1 346.515 3.867 20 0 EHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000261421683 1015349172 /nfs/dbraw/zinc/34/91/72/1015349172.db2.gz HGYALDSOJVPSGC-RXVVDRJESA-N 2 1 343.559 3.757 20 0 EHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547732830 1015686041 /nfs/dbraw/zinc/68/60/41/1015686041.db2.gz BGTAJYBHEAFPBE-GGPKGHCWSA-N 2 1 349.563 3.505 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979661 1015691913 /nfs/dbraw/zinc/69/19/13/1015691913.db2.gz ZAGHQAGUMYOXPM-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979661 1015691914 /nfs/dbraw/zinc/69/19/14/1015691914.db2.gz ZAGHQAGUMYOXPM-SJLPKXTDSA-N 2 1 343.902 3.950 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC000339843916 1015744218 /nfs/dbraw/zinc/74/42/18/1015744218.db2.gz XWIMEPIPNWULBA-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644538 1016132686 /nfs/dbraw/zinc/13/26/86/1016132686.db2.gz CALFKPXLIVFULZ-CZUORRHYSA-N 2 1 325.294 3.832 20 0 EHADMP COCC1(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318042 1016499381 /nfs/dbraw/zinc/49/93/81/1016499381.db2.gz GTWNWMQUWMZMOE-UYAOXDASSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318042 1016499390 /nfs/dbraw/zinc/49/93/90/1016499390.db2.gz GTWNWMQUWMZMOE-UYAOXDASSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318042 1016499397 /nfs/dbraw/zinc/49/93/97/1016499397.db2.gz GTWNWMQUWMZMOE-UYAOXDASSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000361318042 1016499407 /nfs/dbraw/zinc/49/94/07/1016499407.db2.gz GTWNWMQUWMZMOE-UYAOXDASSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000340241278 1016764417 /nfs/dbraw/zinc/76/44/17/1016764417.db2.gz NULLUNIRPSWVBZ-HKUYNNGSSA-N 2 1 335.561 3.690 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000340241278 1016764428 /nfs/dbraw/zinc/76/44/28/1016764428.db2.gz NULLUNIRPSWVBZ-HKUYNNGSSA-N 2 1 335.561 3.690 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459459807 1032160021 /nfs/dbraw/zinc/16/00/21/1032160021.db2.gz FMHROSDLUHKWTI-CYBMUJFWSA-N 2 1 342.405 3.689 20 0 EHADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000449074568 1032162597 /nfs/dbraw/zinc/16/25/97/1032162597.db2.gz PSURBBBUXPNOEE-OKZBNKHCSA-N 2 1 342.483 3.610 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000459482681 1032176042 /nfs/dbraw/zinc/17/60/42/1032176042.db2.gz AXBPNWXSFPOEMT-INIZCTEOSA-N 2 1 348.288 3.638 20 0 EHADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1F ZINC000449100772 1032179546 /nfs/dbraw/zinc/17/95/46/1032179546.db2.gz XJXYVULGLMANDJ-KRWDZBQOSA-N 2 1 342.458 3.645 20 0 EHADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1F ZINC000449100772 1032179556 /nfs/dbraw/zinc/17/95/56/1032179556.db2.gz XJXYVULGLMANDJ-KRWDZBQOSA-N 2 1 342.458 3.645 20 0 EHADMP CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183676986 1032193311 /nfs/dbraw/zinc/19/33/11/1032193311.db2.gz IWDKNVREPZDOLL-HZPDHXFCSA-N 2 1 342.487 3.526 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC[N@@H+]1C ZINC000449167640 1032259636 /nfs/dbraw/zinc/25/96/36/1032259636.db2.gz AWGUXMNBFVGNEJ-JRPNMDOOSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC[N@H+]1C ZINC000449167640 1032259650 /nfs/dbraw/zinc/25/96/50/1032259650.db2.gz AWGUXMNBFVGNEJ-JRPNMDOOSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC[N@@H+]1C ZINC000449167642 1032259750 /nfs/dbraw/zinc/25/97/50/1032259750.db2.gz AWGUXMNBFVGNEJ-ZETOZRRWSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC[N@H+]1C ZINC000449167642 1032259768 /nfs/dbraw/zinc/25/97/68/1032259768.db2.gz AWGUXMNBFVGNEJ-ZETOZRRWSA-N 2 1 341.268 3.648 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(CO)ccc2F)CC1)CC1CC1 ZINC000528432183 1032269767 /nfs/dbraw/zinc/26/97/67/1032269767.db2.gz OYAJYEKSCJUIPD-UHFFFAOYSA-N 2 1 348.506 3.652 20 0 EHADMP CC(C)COc1ccccc1CNC1CC[NH+](CCOC(C)C)CC1 ZINC000449192478 1032287067 /nfs/dbraw/zinc/28/70/67/1032287067.db2.gz YKOMPVZNGOHVDZ-UHFFFAOYSA-N 2 1 348.531 3.700 20 0 EHADMP Cc1cc(Br)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Cl ZINC000449246988 1032385526 /nfs/dbraw/zinc/38/55/26/1032385526.db2.gz FEAPWTSIHOBNDV-UHFFFAOYSA-N 2 1 343.696 3.762 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3CCC(C(F)F)CC3)sc2C1 ZINC000459719267 1032428495 /nfs/dbraw/zinc/42/84/95/1032428495.db2.gz VVXWNKBSHMJDGA-UHFFFAOYSA-N 2 1 343.487 3.823 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3CCC(C(F)F)CC3)sc2C1 ZINC000459719267 1032428500 /nfs/dbraw/zinc/42/85/00/1032428500.db2.gz VVXWNKBSHMJDGA-UHFFFAOYSA-N 2 1 343.487 3.823 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000459733052 1032436842 /nfs/dbraw/zinc/43/68/42/1032436842.db2.gz GHVORVBHHSLLFH-GOSISDBHSA-N 3 1 337.596 3.987 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459734987 1032438899 /nfs/dbraw/zinc/43/88/99/1032438899.db2.gz HHUYDUZTTPMJMD-KRWDZBQOSA-N 2 1 339.483 3.579 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000459778716 1032465439 /nfs/dbraw/zinc/46/54/39/1032465439.db2.gz LGVVBMKWQLMQNP-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP CC[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CC)CC1 ZINC000537093964 1032518394 /nfs/dbraw/zinc/51/83/94/1032518394.db2.gz ISMUPHZYUFBTNR-HNNXBMFYSA-N 2 1 339.321 3.844 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)s1 ZINC000449435070 1032551658 /nfs/dbraw/zinc/55/16/58/1032551658.db2.gz UVBPWVKCZSWSBV-AAEUAGOBSA-N 2 1 335.439 3.806 20 0 EHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000090404310 1032565458 /nfs/dbraw/zinc/56/54/58/1032565458.db2.gz PLHHTMDYLWQDPM-NRFANRHFSA-N 2 1 330.516 3.624 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534941 1032567966 /nfs/dbraw/zinc/56/79/66/1032567966.db2.gz WUALARPBEIVFAL-DNVCBOLYSA-N 2 1 346.519 3.728 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449486333 1032642459 /nfs/dbraw/zinc/64/24/59/1032642459.db2.gz UCHDWZDPOMKTTG-MQSCRBSSSA-N 2 1 349.522 3.823 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)o1 ZINC000415035699 1017428041 /nfs/dbraw/zinc/42/80/41/1017428041.db2.gz FDZCCSQUCSLNFE-GDBMZVCRSA-N 2 1 331.485 3.676 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)o1 ZINC000415035699 1017428047 /nfs/dbraw/zinc/42/80/47/1017428047.db2.gz FDZCCSQUCSLNFE-GDBMZVCRSA-N 2 1 331.485 3.676 20 0 EHADMP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OCc1cccs1 ZINC000415052976 1017462920 /nfs/dbraw/zinc/46/29/20/1017462920.db2.gz JMRUKRBDQBKPHT-GOSISDBHSA-N 2 1 348.512 3.799 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056135 1017478326 /nfs/dbraw/zinc/47/83/26/1017478326.db2.gz RNOKJYGWHAJECJ-QAPCUYQASA-N 2 1 329.875 3.852 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070120 1017500685 /nfs/dbraw/zinc/50/06/85/1017500685.db2.gz UNBLMKTWLFZZOD-BZNIZROVSA-N 2 1 343.284 3.626 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655735297 1017501375 /nfs/dbraw/zinc/50/13/75/1017501375.db2.gz GMEIIVKKGXKZAW-HKUYNNGSSA-N 2 1 342.527 3.685 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070122 1017501878 /nfs/dbraw/zinc/50/18/78/1017501878.db2.gz UNBLMKTWLFZZOD-MEDUHNTESA-N 2 1 343.284 3.626 20 0 EHADMP CC(C)(C)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655741041 1017506590 /nfs/dbraw/zinc/50/65/90/1017506590.db2.gz CBQKPBFSCYWBNZ-FQEVSTJZSA-N 2 1 346.515 3.597 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000655742088 1017510488 /nfs/dbraw/zinc/51/04/88/1017510488.db2.gz PAEZLTJHKIETJI-UHFFFAOYSA-N 2 1 337.471 3.564 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000655755147 1017546931 /nfs/dbraw/zinc/54/69/31/1017546931.db2.gz QXBCVGMGSXZTNM-JTSKRJEESA-N 2 1 342.527 3.859 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1Br ZINC000415108818 1017565996 /nfs/dbraw/zinc/56/59/96/1017565996.db2.gz QNKZVKMAGPUZCG-BZUAXINKSA-N 2 1 337.305 3.768 20 0 EHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000415115696 1017571788 /nfs/dbraw/zinc/57/17/88/1017571788.db2.gz XDQPBTXMZPJOBW-TZMCWYRMSA-N 2 1 349.327 3.773 20 0 EHADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(Cc2ccccc2)c1 ZINC000655849648 1017767797 /nfs/dbraw/zinc/76/77/97/1017767797.db2.gz XRBIGSXTCZOPED-YYWHXJBOSA-N 2 1 338.499 3.599 20 0 EHADMP C[C@@H](CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)[NH+](C)C ZINC000340474360 1018001800 /nfs/dbraw/zinc/00/18/00/1018001800.db2.gz HVZQADZCYADROR-GHTZIAJQSA-N 2 1 349.538 3.919 20 0 EHADMP OCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000683693018 1018037989 /nfs/dbraw/zinc/03/79/89/1018037989.db2.gz ZHZYWIQSWVIPEO-MZADTFQBSA-N 2 1 342.527 3.714 20 0 EHADMP CCc1onc(C)c1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893020950 1018178823 /nfs/dbraw/zinc/17/88/23/1018178823.db2.gz RDGXONHJDOLOIG-KDOFPFPSSA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893020950 1018178837 /nfs/dbraw/zinc/17/88/37/1018178837.db2.gz RDGXONHJDOLOIG-KDOFPFPSSA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893020950 1018178844 /nfs/dbraw/zinc/17/88/44/1018178844.db2.gz RDGXONHJDOLOIG-KDOFPFPSSA-N 2 1 333.501 3.780 20 0 EHADMP CCO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399664 1018189821 /nfs/dbraw/zinc/18/98/21/1018189821.db2.gz BLRLGEKQCVHZTF-UXHICEINSA-N 2 1 330.516 3.692 20 0 EHADMP CCO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000625399664 1018189828 /nfs/dbraw/zinc/18/98/28/1018189828.db2.gz BLRLGEKQCVHZTF-UXHICEINSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000275708301 1018208089 /nfs/dbraw/zinc/20/80/89/1018208089.db2.gz RHLQIRGLPVFXLI-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000275708301 1018208100 /nfs/dbraw/zinc/20/81/00/1018208100.db2.gz RHLQIRGLPVFXLI-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708301 1018208109 /nfs/dbraw/zinc/20/81/09/1018208109.db2.gz RHLQIRGLPVFXLI-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708301 1018208119 /nfs/dbraw/zinc/20/81/19/1018208119.db2.gz RHLQIRGLPVFXLI-NQIIRXRSSA-N 2 1 330.516 3.788 20 0 EHADMP COc1ccc(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000472855463 1018322751 /nfs/dbraw/zinc/32/27/51/1018322751.db2.gz UGSLEOVVYFOOMK-HXUWFJFHSA-N 2 1 330.516 3.824 20 0 EHADMP COc1cccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000562901778 1032760466 /nfs/dbraw/zinc/76/04/66/1032760466.db2.gz QNRFLWPBMPBGTG-WIYYLYMNSA-N 2 1 338.495 3.738 20 0 EHADMP C[N@H+](CCOc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513138621 1019081837 /nfs/dbraw/zinc/08/18/37/1019081837.db2.gz JJAFLJOPMKTUER-YIONKMFJSA-N 2 1 343.298 3.929 20 0 EHADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513138621 1019081859 /nfs/dbraw/zinc/08/18/59/1019081859.db2.gz JJAFLJOPMKTUER-YIONKMFJSA-N 2 1 343.298 3.929 20 0 EHADMP C[NH+](CCOc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513138621 1019081875 /nfs/dbraw/zinc/08/18/75/1019081875.db2.gz JJAFLJOPMKTUER-YIONKMFJSA-N 2 1 343.298 3.929 20 0 EHADMP C[NH+](CCOc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513138621 1019081887 /nfs/dbraw/zinc/08/18/87/1019081887.db2.gz JJAFLJOPMKTUER-YIONKMFJSA-N 2 1 343.298 3.929 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560453 1032808121 /nfs/dbraw/zinc/80/81/21/1032808121.db2.gz LJWIRFQWOPKBCS-FENUFBNTSA-N 2 1 336.426 3.906 20 0 EHADMP CC[NH+](CC)CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000052867979 1019293516 /nfs/dbraw/zinc/29/35/16/1019293516.db2.gz CIKMPOYTEOZPOR-UHFFFAOYSA-N 2 1 331.504 3.731 20 0 EHADMP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406805 1019435916 /nfs/dbraw/zinc/43/59/16/1019435916.db2.gz WTWGFEWUVLCRNZ-IRLDBZIGSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001167406805 1019435926 /nfs/dbraw/zinc/43/59/26/1019435926.db2.gz WTWGFEWUVLCRNZ-IRLDBZIGSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001167406805 1019435936 /nfs/dbraw/zinc/43/59/36/1019435936.db2.gz WTWGFEWUVLCRNZ-IRLDBZIGSA-N 2 1 344.543 3.772 20 0 EHADMP CC(C)(C)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001167406805 1019435950 /nfs/dbraw/zinc/43/59/50/1019435950.db2.gz WTWGFEWUVLCRNZ-IRLDBZIGSA-N 2 1 344.543 3.772 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513223545 1019440813 /nfs/dbraw/zinc/44/08/13/1019440813.db2.gz NAQJQAOKYQFDBE-UYAOXDASSA-N 2 1 332.532 3.960 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513223545 1019440819 /nfs/dbraw/zinc/44/08/19/1019440819.db2.gz NAQJQAOKYQFDBE-UYAOXDASSA-N 2 1 332.532 3.960 20 0 EHADMP C[C@@H]1C[C@H](NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513225152 1019441481 /nfs/dbraw/zinc/44/14/81/1019441481.db2.gz ZVCCCLMYGMDBGU-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@H](NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225152 1019441487 /nfs/dbraw/zinc/44/14/87/1019441487.db2.gz ZVCCCLMYGMDBGU-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@H](NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225152 1019441496 /nfs/dbraw/zinc/44/14/96/1019441496.db2.gz ZVCCCLMYGMDBGU-UYAOXDASSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[C@](C)([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000262091240 1019533727 /nfs/dbraw/zinc/53/37/27/1019533727.db2.gz ALFSIYFXDXGTQY-IBGZPJMESA-N 2 1 328.460 3.511 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000729681296 1032847844 /nfs/dbraw/zinc/84/78/44/1032847844.db2.gz OTNRNNAMMIKLJN-LLVKDONJSA-N 2 1 343.500 3.547 20 0 EHADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@H+](C[C@@H]3CCCO3)C2)C1 ZINC001279467556 1019724347 /nfs/dbraw/zinc/72/43/47/1019724347.db2.gz OGTDNNCUFSVXQK-IRXDYDNUSA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC001279467556 1019724317 /nfs/dbraw/zinc/72/43/17/1019724317.db2.gz OGTDNNCUFSVXQK-IRXDYDNUSA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[N@H+]1CCC[C@]2(CCC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC001279467556 1019724334 /nfs/dbraw/zinc/72/43/34/1019724334.db2.gz OGTDNNCUFSVXQK-IRXDYDNUSA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@@H+](C[C@@H]3CCCO3)C2)C1 ZINC001279467556 1019724366 /nfs/dbraw/zinc/72/43/66/1019724366.db2.gz OGTDNNCUFSVXQK-IRXDYDNUSA-N 2 1 348.453 3.686 20 0 EHADMP COCc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487459 1019744949 /nfs/dbraw/zinc/74/49/49/1019744949.db2.gz FDGASMVVTLDWPT-MJGOQNOKSA-N 2 1 342.483 3.816 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000047976781 1019778183 /nfs/dbraw/zinc/77/81/83/1019778183.db2.gz IRRDOUUTLYPLQU-UHFFFAOYSA-N 2 1 345.531 3.802 20 0 EHADMP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160601421 1019883750 /nfs/dbraw/zinc/88/37/50/1019883750.db2.gz NPIPYFUHQBNCTO-INIZCTEOSA-N 2 1 336.545 3.529 20 0 EHADMP CC(C)c1[nH+]c(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccn21 ZINC000656277766 1019894114 /nfs/dbraw/zinc/89/41/14/1019894114.db2.gz NRZQAFCIQQNVJF-WMZOPIPTSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1[nH+]c(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccn21 ZINC000656277766 1019894126 /nfs/dbraw/zinc/89/41/26/1019894126.db2.gz NRZQAFCIQQNVJF-WMZOPIPTSA-N 2 1 326.488 3.564 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@H]2CCC[C@@H]21 ZINC000513673658 1019924031 /nfs/dbraw/zinc/92/40/31/1019924031.db2.gz VNVXXZSRVZLUAR-KBMXLJTQSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@H]2CCC[C@@H]21 ZINC000513673658 1019924042 /nfs/dbraw/zinc/92/40/42/1019924042.db2.gz VNVXXZSRVZLUAR-KBMXLJTQSA-N 2 1 341.268 3.551 20 0 EHADMP CC(C)CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119584 1019942961 /nfs/dbraw/zinc/94/29/61/1019942961.db2.gz MPEUMNOOUCDMSB-RBUKOAKNSA-N 2 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000926119584 1019942966 /nfs/dbraw/zinc/94/29/66/1019942966.db2.gz MPEUMNOOUCDMSB-RBUKOAKNSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119584 1019942978 /nfs/dbraw/zinc/94/29/78/1019942978.db2.gz MPEUMNOOUCDMSB-RBUKOAKNSA-N 3 1 335.580 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000155890721 1020165487 /nfs/dbraw/zinc/16/54/87/1020165487.db2.gz CUEHIDZIPYTBKZ-QGZVFWFLSA-N 2 1 343.515 3.637 20 0 EHADMP CCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000501101519 1020706550 /nfs/dbraw/zinc/70/65/50/1020706550.db2.gz NKLSKXKSPFSIAV-UHFFFAOYSA-N 2 1 349.538 3.844 20 0 EHADMP Brc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000341180143 1021049675 /nfs/dbraw/zinc/04/96/75/1021049675.db2.gz DWTJVLKFPUBSDV-SCLBCKFNSA-N 2 1 349.316 3.900 20 0 EHADMP FC(F)(F)CC1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656686447 1021167481 /nfs/dbraw/zinc/16/74/81/1021167481.db2.gz MPVNIJUWQLSORR-UHFFFAOYSA-N 2 1 342.405 3.545 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCc3ccccn3)CC[N@@H+]2C2CC2)cc1 ZINC000638785386 1021211900 /nfs/dbraw/zinc/21/19/00/1021211900.db2.gz AYJOSBGSBBODCY-UNMCSNQZSA-N 2 1 335.495 3.972 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCc3ccccn3)CC[N@H+]2C2CC2)cc1 ZINC000638785386 1021211909 /nfs/dbraw/zinc/21/19/09/1021211909.db2.gz AYJOSBGSBBODCY-UNMCSNQZSA-N 2 1 335.495 3.972 20 0 EHADMP COc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963867 1021235287 /nfs/dbraw/zinc/23/52/87/1021235287.db2.gz GNWDDRMUUZGWBY-AYHJJNSGSA-N 2 1 334.891 3.844 20 0 EHADMP COc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963867 1021235299 /nfs/dbraw/zinc/23/52/99/1021235299.db2.gz GNWDDRMUUZGWBY-AYHJJNSGSA-N 2 1 334.891 3.844 20 0 EHADMP Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167961293 1021269011 /nfs/dbraw/zinc/26/90/11/1021269011.db2.gz HLWSFDXDFYEBPW-XVLXNVKGSA-N 2 1 326.484 3.814 20 0 EHADMP Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167961293 1021269024 /nfs/dbraw/zinc/26/90/24/1021269024.db2.gz HLWSFDXDFYEBPW-XVLXNVKGSA-N 2 1 326.484 3.814 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558280 1032969882 /nfs/dbraw/zinc/96/98/82/1032969882.db2.gz KMAJYJBGFQVJIX-MJGOQNOKSA-N 2 1 344.499 3.676 20 0 EHADMP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558280 1032969886 /nfs/dbraw/zinc/96/98/86/1032969886.db2.gz KMAJYJBGFQVJIX-MJGOQNOKSA-N 2 1 344.499 3.676 20 0 EHADMP Fc1ccc2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656784068 1021337926 /nfs/dbraw/zinc/33/79/26/1021337926.db2.gz YJDMHOCLLPIIPS-AWEZNQCLSA-N 2 1 333.476 3.647 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1O ZINC000426403108 1021505558 /nfs/dbraw/zinc/50/55/58/1021505558.db2.gz VNNCFTIFKFDEMS-IAGOWNOFSA-N 2 1 334.504 3.576 20 0 EHADMP Cc1[nH+]ccn1CCCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519716486 1021644317 /nfs/dbraw/zinc/64/43/17/1021644317.db2.gz SFTMNVPCXXZRRP-LJQANCHMSA-N 2 1 329.513 3.979 20 0 EHADMP Cc1[nH+]ccn1CCCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519716486 1021644322 /nfs/dbraw/zinc/64/43/22/1021644322.db2.gz SFTMNVPCXXZRRP-LJQANCHMSA-N 2 1 329.513 3.979 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC(n2cccn2)C1 ZINC000638367610 1021704164 /nfs/dbraw/zinc/70/41/64/1021704164.db2.gz PUDWOVKJKGPVMJ-MDMXATFFSA-N 2 1 338.499 3.751 20 0 EHADMP Clc1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414909068 1021960131 /nfs/dbraw/zinc/96/01/31/1021960131.db2.gz SNHNOIJTXXRNPB-GOSISDBHSA-N 2 1 345.874 3.546 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414913355 1022126850 /nfs/dbraw/zinc/12/68/50/1022126850.db2.gz WLRFNTHXPOPWQI-OAHLLOKOSA-N 2 1 343.334 3.650 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000517236296 1022157927 /nfs/dbraw/zinc/15/79/27/1022157927.db2.gz QIMRIGSXLXGZBH-NRFANRHFSA-N 2 1 340.515 3.721 20 0 EHADMP Clc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441392900 1022210581 /nfs/dbraw/zinc/21/05/81/1022210581.db2.gz KNTNMYVTMQAWFP-DNVCBOLYSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441392900 1022210595 /nfs/dbraw/zinc/21/05/95/1022210595.db2.gz KNTNMYVTMQAWFP-DNVCBOLYSA-N 2 1 334.891 3.668 20 0 EHADMP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000471795855 1022245896 /nfs/dbraw/zinc/24/58/96/1022245896.db2.gz BKNSTDXEUBPBMG-NJDAHSKKSA-N 2 1 344.543 3.818 20 0 EHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000415118737 1022311108 /nfs/dbraw/zinc/31/11/08/1022311108.db2.gz DXDVGKZKKNMRMQ-DLBZAZTESA-N 2 1 343.298 3.712 20 0 EHADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321561 1033040478 /nfs/dbraw/zinc/04/04/78/1033040478.db2.gz JLDIEHANNVDNKK-RLLQIKCJSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321561 1033040497 /nfs/dbraw/zinc/04/04/97/1033040497.db2.gz JLDIEHANNVDNKK-RLLQIKCJSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000425953148 1022421107 /nfs/dbraw/zinc/42/11/07/1022421107.db2.gz RHFPBDZANWTWFV-UONOGXRCSA-N 2 1 334.895 3.682 20 0 EHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001167973171 1022485557 /nfs/dbraw/zinc/48/55/57/1022485557.db2.gz IIWOVHNBBCZKOA-FRIKZZABSA-N 2 1 345.575 3.636 20 0 EHADMP C[C@H](O)CCC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836008 1022687574 /nfs/dbraw/zinc/68/75/74/1022687574.db2.gz IEBCIDTVPRIQBQ-RXVVDRJESA-N 2 1 344.543 3.770 20 0 EHADMP COc1cccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167982017 1022788867 /nfs/dbraw/zinc/78/88/67/1022788867.db2.gz TVKOITUXSHTQFJ-MIJOPJBOSA-N 2 1 328.500 3.794 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430927058 1022887983 /nfs/dbraw/zinc/88/79/83/1022887983.db2.gz HVPHXFPQTMDKRE-IAGOWNOFSA-N 2 1 337.467 3.541 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430961517 1022979825 /nfs/dbraw/zinc/97/98/25/1022979825.db2.gz NZNLYRKEOAJLEW-QINHECLXSA-N 2 1 337.467 3.669 20 0 EHADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441463374 1023001770 /nfs/dbraw/zinc/00/17/70/1023001770.db2.gz KKTYYYGJMGZFQQ-FQEVSTJZSA-N 2 1 330.516 3.880 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000506478131 1023249487 /nfs/dbraw/zinc/24/94/87/1023249487.db2.gz FFCQGDDQBVJYCU-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478131 1023249495 /nfs/dbraw/zinc/24/94/95/1023249495.db2.gz FFCQGDDQBVJYCU-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478131 1023249499 /nfs/dbraw/zinc/24/94/99/1023249499.db2.gz FFCQGDDQBVJYCU-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000506478131 1023249508 /nfs/dbraw/zinc/24/95/08/1023249508.db2.gz FFCQGDDQBVJYCU-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000506478131 1023249513 /nfs/dbraw/zinc/24/95/13/1023249513.db2.gz FFCQGDDQBVJYCU-ROUUACIJSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)ccc1F ZINC000211953906 1033128914 /nfs/dbraw/zinc/12/89/14/1033128914.db2.gz CFYKOIIFGLTMMW-NTZNESFSSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449738434 1033138703 /nfs/dbraw/zinc/13/87/03/1033138703.db2.gz BTQNCSNPARXPBY-ICSRJNTNSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449738434 1033138720 /nfs/dbraw/zinc/13/87/20/1033138720.db2.gz BTQNCSNPARXPBY-ICSRJNTNSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCOC1 ZINC000510962038 1023538658 /nfs/dbraw/zinc/53/86/58/1023538658.db2.gz YQMLQCLLOCMJOA-IHPCNDPISA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCOC1 ZINC000510962038 1023538661 /nfs/dbraw/zinc/53/86/61/1023538661.db2.gz YQMLQCLLOCMJOA-IHPCNDPISA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000535811342 1023651340 /nfs/dbraw/zinc/65/13/40/1023651340.db2.gz HXMQPDFVQNYSHR-QGZVFWFLSA-N 2 1 337.533 3.547 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000657182875 1023917539 /nfs/dbraw/zinc/91/75/39/1023917539.db2.gz XIVPBTHQWKVKHR-IAGOWNOFSA-N 2 1 334.504 3.694 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)CC2)oc1C ZINC000657879919 1033174212 /nfs/dbraw/zinc/17/42/12/1033174212.db2.gz VHONHXHYTPAITC-HBFSDRIKSA-N 2 1 345.531 3.918 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000474076760 1024004140 /nfs/dbraw/zinc/00/41/40/1024004140.db2.gz TVPUPWRIKYHRBB-DFQSSKMNSA-N 2 1 346.515 3.545 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000474076760 1024004159 /nfs/dbraw/zinc/00/41/59/1024004159.db2.gz TVPUPWRIKYHRBB-DFQSSKMNSA-N 2 1 346.515 3.545 20 0 EHADMP CO[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000514115726 1024147988 /nfs/dbraw/zinc/14/79/88/1024147988.db2.gz VBEWNWHHZINCNW-LSTHTHJFSA-N 2 1 348.918 3.976 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004944 1024266941 /nfs/dbraw/zinc/26/69/41/1024266941.db2.gz CKVLLUHMAXOSDH-RNEMNMTCSA-N 2 1 330.516 3.711 20 0 EHADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692645 1024301284 /nfs/dbraw/zinc/30/12/84/1024301284.db2.gz YYVKBGQCRBSZCL-FXAWDEMLSA-N 2 1 345.531 3.994 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3CCCO[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048192 1024345636 /nfs/dbraw/zinc/34/56/36/1024345636.db2.gz UMEBHYDLFZKOEE-HVYFLLBWSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048192 1024345652 /nfs/dbraw/zinc/34/56/52/1024345652.db2.gz UMEBHYDLFZKOEE-HVYFLLBWSA-N 2 1 342.527 3.929 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000346189385 1024472784 /nfs/dbraw/zinc/47/27/84/1024472784.db2.gz CWLJYKFYZUAMEK-NRFANRHFSA-N 2 1 332.451 3.565 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000346168217 1024482844 /nfs/dbraw/zinc/48/28/44/1024482844.db2.gz CMJNCXZIFWJEFZ-UHFFFAOYSA-N 2 1 332.451 3.869 20 0 EHADMP Brc1ccccc1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205000762 1024558168 /nfs/dbraw/zinc/55/81/68/1024558168.db2.gz JSPTWGGHXBZGRG-KRWDZBQOSA-N 2 1 337.305 3.976 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCSC(C)(C)CC2)CC1 ZINC000435050035 1024579110 /nfs/dbraw/zinc/57/91/10/1024579110.db2.gz QDGYHGBCOBCGFV-UHFFFAOYSA-N 2 1 347.572 3.546 20 0 EHADMP C[C@H]1CC([NH2+]Cc2cnc3ccccn23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008795 1024625003 /nfs/dbraw/zinc/62/50/03/1024625003.db2.gz YAYUSEMAPFJSCT-ROUUACIJSA-N 2 1 348.494 3.866 20 0 EHADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCCC(C)C ZINC000430132207 1024662204 /nfs/dbraw/zinc/66/22/04/1024662204.db2.gz NMOKWIYCPAPDFY-OAQYLSRUSA-N 2 1 346.515 3.648 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(Cc3c(OC(F)F)ccc4ccccc43)C2)C1 ZINC000430131694 1024662883 /nfs/dbraw/zinc/66/28/83/1024662883.db2.gz WDWHJKZPMXHGRQ-FQEVSTJZSA-N 2 1 346.421 3.969 20 0 EHADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126542 1024670941 /nfs/dbraw/zinc/67/09/41/1024670941.db2.gz QEMXGTOUQNLSQR-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126542 1024670954 /nfs/dbraw/zinc/67/09/54/1024670954.db2.gz QEMXGTOUQNLSQR-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126542 1024670965 /nfs/dbraw/zinc/67/09/65/1024670965.db2.gz QEMXGTOUQNLSQR-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126542 1024670970 /nfs/dbraw/zinc/67/09/70/1024670970.db2.gz QEMXGTOUQNLSQR-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000430126542 1024670975 /nfs/dbraw/zinc/67/09/75/1024670975.db2.gz QEMXGTOUQNLSQR-JOCHJYFZSA-N 2 1 336.479 3.793 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000657294638 1024675427 /nfs/dbraw/zinc/67/54/27/1024675427.db2.gz CBBOJZAZMWLHDD-UHFFFAOYSA-N 2 1 327.497 3.835 20 0 EHADMP c1c2ccncc2sc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000657299167 1024718613 /nfs/dbraw/zinc/71/86/13/1024718613.db2.gz ZDPZOOCRIQMVOU-UHFFFAOYSA-N 2 1 337.492 3.834 20 0 EHADMP c1c2ccncc2sc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000657299167 1024718619 /nfs/dbraw/zinc/71/86/19/1024718619.db2.gz ZDPZOOCRIQMVOU-UHFFFAOYSA-N 2 1 337.492 3.834 20 0 EHADMP C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931063 1033230693 /nfs/dbraw/zinc/23/06/93/1033230693.db2.gz VIUIBPIGVZDUME-UBDQQSCGSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931063 1033230704 /nfs/dbraw/zinc/23/07/04/1033230704.db2.gz VIUIBPIGVZDUME-UBDQQSCGSA-N 2 1 327.497 3.847 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncs1 ZINC000897931063 1033230713 /nfs/dbraw/zinc/23/07/13/1033230713.db2.gz VIUIBPIGVZDUME-UBDQQSCGSA-N 2 1 327.497 3.847 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCC(F)(F)F)CCCC2)CC1 ZINC000346441115 1024735438 /nfs/dbraw/zinc/73/54/38/1024735438.db2.gz RXEYJSZEVKTPDK-AWEZNQCLSA-N 2 1 336.442 3.731 20 0 EHADMP CCOC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000514803368 1024756236 /nfs/dbraw/zinc/75/62/36/1024756236.db2.gz YZXMRPBXBWDSQW-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000346474363 1024760334 /nfs/dbraw/zinc/76/03/34/1024760334.db2.gz CVBCCHCHFSBOLH-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000346474363 1024760337 /nfs/dbraw/zinc/76/03/37/1024760337.db2.gz CVBCCHCHFSBOLH-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCCO4)C3)C2)cc1 ZINC000346474363 1024760341 /nfs/dbraw/zinc/76/03/41/1024760341.db2.gz CVBCCHCHFSBOLH-RTWAWAEBSA-N 2 1 328.500 3.544 20 0 EHADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000425340170 1024799097 /nfs/dbraw/zinc/79/90/97/1024799097.db2.gz DOUAKVVRRJNAGM-RTBURBONSA-N 2 1 330.497 3.895 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375841 1024839966 /nfs/dbraw/zinc/83/99/66/1024839966.db2.gz XCNXZWFURSRKFT-OLZOCXBDSA-N 2 1 327.453 3.725 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375841 1024839984 /nfs/dbraw/zinc/83/99/84/1024839984.db2.gz XCNXZWFURSRKFT-OLZOCXBDSA-N 2 1 327.453 3.725 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cnn1-c1cccc(Cl)c1 ZINC000665248977 1024861719 /nfs/dbraw/zinc/86/17/19/1024861719.db2.gz HCKRZVRAORFNDQ-CYBMUJFWSA-N 2 1 332.879 3.756 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C[C@H]12 ZINC000435386760 1024868412 /nfs/dbraw/zinc/86/84/12/1024868412.db2.gz YFLGXTCBXIDIRC-AEGPPILISA-N 2 1 339.464 3.725 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424311 1024941663 /nfs/dbraw/zinc/94/16/63/1024941663.db2.gz BPKFKKRZMHWMQN-XNRPHZJLSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474424311 1024941668 /nfs/dbraw/zinc/94/16/68/1024941668.db2.gz BPKFKKRZMHWMQN-XNRPHZJLSA-N 2 1 342.314 3.502 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CCOCC1 ZINC000474464464 1025010119 /nfs/dbraw/zinc/01/01/19/1025010119.db2.gz PHAHBIOJZUCPIL-QZTJIDSGSA-N 2 1 330.516 3.823 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000474479156 1025017620 /nfs/dbraw/zinc/01/76/20/1025017620.db2.gz QOVILOJOQZNYIT-ZJRDLVKKSA-N 2 1 338.536 3.600 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000474471849 1025020454 /nfs/dbraw/zinc/02/04/54/1025020454.db2.gz HFDLYXGOZBSMHY-ZJRDLVKKSA-N 2 1 338.536 3.743 20 0 EHADMP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)nc1 ZINC000425396157 1025033595 /nfs/dbraw/zinc/03/35/95/1025033595.db2.gz ANFZFOYGDJQFTG-LJQANCHMSA-N 2 1 336.483 3.594 20 0 EHADMP c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)nc1 ZINC000425396157 1025033602 /nfs/dbraw/zinc/03/36/02/1025033602.db2.gz ANFZFOYGDJQFTG-LJQANCHMSA-N 2 1 336.483 3.594 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000520839463 1025078787 /nfs/dbraw/zinc/07/87/87/1025078787.db2.gz FRBLFPWTMHKTHC-UHFFFAOYSA-N 2 1 348.244 3.880 20 0 EHADMP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000119692708 1025196108 /nfs/dbraw/zinc/19/61/08/1025196108.db2.gz BZVHPRHNILNOOA-UHFFFAOYSA-N 2 1 347.934 3.521 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4c3NCC4)C2)CC1 ZINC000346850162 1025219356 /nfs/dbraw/zinc/21/93/56/1025219356.db2.gz PMAVHWBVKYEXPL-GOSISDBHSA-N 2 1 327.516 3.599 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4c3NCC4)C2)CC1 ZINC000346850162 1025219369 /nfs/dbraw/zinc/21/93/69/1025219369.db2.gz PMAVHWBVKYEXPL-GOSISDBHSA-N 2 1 327.516 3.599 20 0 EHADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000897996348 1033267652 /nfs/dbraw/zinc/26/76/52/1033267652.db2.gz ZZYNIASYORDLOF-ICSRJNTNSA-N 2 1 345.531 3.710 20 0 EHADMP C[C@@H]1CC([N@H+]2C[C@H](CO)CC[C@H]2C)C[C@@H](C)N1Cc1ccccc1 ZINC001168040027 1025254956 /nfs/dbraw/zinc/25/49/56/1025254956.db2.gz JWVWULPJLJERIE-SOAMZJECSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@@H+]2C[C@H](CO)CC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040027 1025254967 /nfs/dbraw/zinc/25/49/67/1025254967.db2.gz JWVWULPJLJERIE-SOAMZJECSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@H+]2C[C@H](CO)CC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040027 1025254972 /nfs/dbraw/zinc/25/49/72/1025254972.db2.gz JWVWULPJLJERIE-SOAMZJECSA-N 2 1 330.516 3.521 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c(F)c1 ZINC000563252082 1025312919 /nfs/dbraw/zinc/31/29/19/1025312919.db2.gz KYUDWOQFQHJXHS-UHFFFAOYSA-N 2 1 330.447 3.964 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CNCc2cccc(F)c2OC(F)F)C1 ZINC000657348565 1025377655 /nfs/dbraw/zinc/37/76/55/1025377655.db2.gz ZSOBKGNXCYISRH-ZDUSSCGKSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657348565 1025377667 /nfs/dbraw/zinc/37/76/67/1025377667.db2.gz ZSOBKGNXCYISRH-ZDUSSCGKSA-N 2 1 330.394 3.637 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657348565 1025377677 /nfs/dbraw/zinc/37/76/77/1025377677.db2.gz ZSOBKGNXCYISRH-ZDUSSCGKSA-N 2 1 330.394 3.637 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1 ZINC000442782038 1025473784 /nfs/dbraw/zinc/47/37/84/1025473784.db2.gz QKYGMERAAMVSJM-GOSISDBHSA-N 2 1 333.479 3.877 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1Cl ZINC000442893801 1025576539 /nfs/dbraw/zinc/57/65/39/1025576539.db2.gz YAADPADBQUWBPQ-CYBMUJFWSA-N 2 1 344.330 3.670 20 0 EHADMP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442918630 1025598425 /nfs/dbraw/zinc/59/84/25/1025598425.db2.gz HQUCIXKXXBSUCL-AWEZNQCLSA-N 2 1 340.895 3.698 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2ccccc2CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015823 1025888913 /nfs/dbraw/zinc/88/89/13/1025888913.db2.gz SLFWZEUDCATXME-QZTJIDSGSA-N 2 1 338.495 3.710 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000522036242 1025901052 /nfs/dbraw/zinc/90/10/52/1025901052.db2.gz PBRQGPHWQCEUOJ-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000522036242 1025901073 /nfs/dbraw/zinc/90/10/73/1025901073.db2.gz PBRQGPHWQCEUOJ-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000522036242 1025901081 /nfs/dbraw/zinc/90/10/81/1025901081.db2.gz PBRQGPHWQCEUOJ-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000522036242 1025901094 /nfs/dbraw/zinc/90/10/94/1025901094.db2.gz PBRQGPHWQCEUOJ-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000121833543 1025901972 /nfs/dbraw/zinc/90/19/72/1025901972.db2.gz MZAVYIOCPVCMGK-WMZOPIPTSA-N 2 1 326.488 3.563 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168016398 1025968203 /nfs/dbraw/zinc/96/82/03/1025968203.db2.gz VRMNFGLXDIYMPA-OPMZPASUSA-N 2 1 338.495 3.710 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639274534 1026005188 /nfs/dbraw/zinc/00/51/88/1026005188.db2.gz DFZSWHOBYSASOU-UYWIDEMCSA-N 2 1 328.500 3.902 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639274534 1026005206 /nfs/dbraw/zinc/00/52/06/1026005206.db2.gz DFZSWHOBYSASOU-UYWIDEMCSA-N 2 1 328.500 3.902 20 0 EHADMP Clc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000192165831 1026111398 /nfs/dbraw/zinc/11/13/98/1026111398.db2.gz YTMDOLBLTDZHIC-GFCCVEGCSA-N 2 1 343.696 3.676 20 0 EHADMP Fc1cccc(Br)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261778056 1026160002 /nfs/dbraw/zinc/16/00/02/1026160002.db2.gz FEVSMQITMHEAJY-INIZCTEOSA-N 2 1 341.268 3.552 20 0 EHADMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000475291926 1026436959 /nfs/dbraw/zinc/43/69/59/1026436959.db2.gz QPLNIWOWUPZSSE-LJQANCHMSA-N 2 1 342.458 3.836 20 0 EHADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000475357232 1026510045 /nfs/dbraw/zinc/51/00/45/1026510045.db2.gz ZEZAGUUGBBDVTP-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475357232 1026510050 /nfs/dbraw/zinc/51/00/50/1026510050.db2.gz ZEZAGUUGBBDVTP-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475357232 1026510056 /nfs/dbraw/zinc/51/00/56/1026510056.db2.gz ZEZAGUUGBBDVTP-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000582554158 1026580607 /nfs/dbraw/zinc/58/06/07/1026580607.db2.gz FAUBRCUBCFSXHS-HNNXBMFYSA-N 2 1 344.528 3.568 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000582554158 1026580612 /nfs/dbraw/zinc/58/06/12/1026580612.db2.gz FAUBRCUBCFSXHS-HNNXBMFYSA-N 2 1 344.528 3.568 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000582633938 1026831668 /nfs/dbraw/zinc/83/16/68/1026831668.db2.gz YJDHSIIRWZAFOI-CQSZACIVSA-N 2 1 348.384 3.587 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000582633938 1026831681 /nfs/dbraw/zinc/83/16/81/1026831681.db2.gz YJDHSIIRWZAFOI-CQSZACIVSA-N 2 1 348.384 3.587 20 0 EHADMP CCOc1cc2[nH+]ccc(N3CCC[N@@H+](CC)CC3)c2cc1OCC ZINC000301518129 1026835317 /nfs/dbraw/zinc/83/53/17/1026835317.db2.gz KIFNHSQRSZHJJD-UHFFFAOYSA-N 2 1 343.471 3.564 20 0 EHADMP Cc1nc(C)c(C)c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000301690757 1026902076 /nfs/dbraw/zinc/90/20/76/1026902076.db2.gz XLMBFEUCTCJIPK-OAHLLOKOSA-N 2 1 330.520 3.883 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657527691 1026980020 /nfs/dbraw/zinc/98/00/20/1026980020.db2.gz XKVCJMBCXATYKL-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527691 1026980028 /nfs/dbraw/zinc/98/00/28/1026980028.db2.gz XKVCJMBCXATYKL-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527691 1026980037 /nfs/dbraw/zinc/98/00/37/1026980037.db2.gz XKVCJMBCXATYKL-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP CCOCCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272894976 1027166951 /nfs/dbraw/zinc/16/69/51/1027166951.db2.gz ZUIZDUPDYAZLSX-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cn2)c1 ZINC000531691890 1027190679 /nfs/dbraw/zinc/19/06/79/1027190679.db2.gz XKKOVRPANQTVOG-PKOBYXMFSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cn2)c1 ZINC000531691890 1027190696 /nfs/dbraw/zinc/19/06/96/1027190696.db2.gz XKKOVRPANQTVOG-PKOBYXMFSA-N 2 1 339.483 3.921 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000273174070 1027295219 /nfs/dbraw/zinc/29/52/19/1027295219.db2.gz CRKZBOIGYZZOMJ-ANTGDGSKSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000273174070 1027295229 /nfs/dbraw/zinc/29/52/29/1027295229.db2.gz CRKZBOIGYZZOMJ-ANTGDGSKSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657563815 1027311513 /nfs/dbraw/zinc/31/15/13/1027311513.db2.gz WFYXHXALCFHYNT-FQEVSTJZSA-N 2 1 348.506 3.627 20 0 EHADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453080158 1027332791 /nfs/dbraw/zinc/33/27/91/1027332791.db2.gz DIAXDUMDTKBBDE-PWRODBHTSA-N 2 1 330.516 3.836 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453082858 1027341843 /nfs/dbraw/zinc/34/18/43/1027341843.db2.gz RJPWVBLPPXOCOZ-TUFLPTIASA-N 2 1 328.500 3.588 20 0 EHADMP CCn1ccnc1C[N@@H+](CCCC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420301046 1027450612 /nfs/dbraw/zinc/45/06/12/1027450612.db2.gz ADTSKUCBFNMPFY-LJQANCHMSA-N 2 1 344.547 3.818 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303845 1027451893 /nfs/dbraw/zinc/45/18/93/1027451893.db2.gz NQYPUNXCZHWGJA-PXNSSMCTSA-N 2 1 340.467 3.583 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307391 1027452836 /nfs/dbraw/zinc/45/28/36/1027452836.db2.gz BQXILOCUPVZCDX-LPHOPBHVSA-N 2 1 326.488 3.754 20 0 EHADMP Cc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000420320429 1027466961 /nfs/dbraw/zinc/46/69/61/1027466961.db2.gz QFJOAPDRSLXZBX-FXAWDEMLSA-N 2 1 338.499 3.912 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453160052 1027473840 /nfs/dbraw/zinc/47/38/40/1027473840.db2.gz MSRZYDKBWDARKM-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420368075 1027495202 /nfs/dbraw/zinc/49/52/02/1027495202.db2.gz KIQURFHNJWENBM-JOCHJYFZSA-N 2 1 346.478 3.577 20 0 EHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420368075 1027495213 /nfs/dbraw/zinc/49/52/13/1027495213.db2.gz KIQURFHNJWENBM-JOCHJYFZSA-N 2 1 346.478 3.577 20 0 EHADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1Br ZINC000342865415 1027740811 /nfs/dbraw/zinc/74/08/11/1027740811.db2.gz VBWFNMDFIGWIBV-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1Br ZINC000342865415 1027740830 /nfs/dbraw/zinc/74/08/30/1027740830.db2.gz VBWFNMDFIGWIBV-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP Cc1cc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000282011697 1027772051 /nfs/dbraw/zinc/77/20/51/1027772051.db2.gz DODAXEXXYGGHOW-AEFFLSMTSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000282011697 1027772069 /nfs/dbraw/zinc/77/20/69/1027772069.db2.gz DODAXEXXYGGHOW-AEFFLSMTSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000282011697 1027772086 /nfs/dbraw/zinc/77/20/86/1027772086.db2.gz DODAXEXXYGGHOW-AEFFLSMTSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000131614977 1027801464 /nfs/dbraw/zinc/80/14/64/1027801464.db2.gz HGIHSMXSMUIMLQ-MRXNPFEDSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000131614977 1027801483 /nfs/dbraw/zinc/80/14/83/1027801483.db2.gz HGIHSMXSMUIMLQ-MRXNPFEDSA-N 2 1 333.863 3.778 20 0 EHADMP CCOC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136461 1027807284 /nfs/dbraw/zinc/80/72/84/1027807284.db2.gz CMVRMKLXNFDZNP-AZUAARDMSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136461 1027807304 /nfs/dbraw/zinc/80/73/04/1027807304.db2.gz CMVRMKLXNFDZNP-AZUAARDMSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136461 1027807322 /nfs/dbraw/zinc/80/73/22/1027807322.db2.gz CMVRMKLXNFDZNP-AZUAARDMSA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246136461 1027807330 /nfs/dbraw/zinc/80/73/30/1027807330.db2.gz CMVRMKLXNFDZNP-AZUAARDMSA-N 2 1 346.515 3.705 20 0 EHADMP C[C@H](c1cccs1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898763 1027838665 /nfs/dbraw/zinc/83/86/65/1027838665.db2.gz DMRIKWNNFHLEJE-MRXNPFEDSA-N 2 1 330.497 3.773 20 0 EHADMP C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898763 1027838684 /nfs/dbraw/zinc/83/86/84/1027838684.db2.gz DMRIKWNNFHLEJE-MRXNPFEDSA-N 2 1 330.497 3.773 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]3C3CC3)sc2C1 ZINC000414479317 1027881039 /nfs/dbraw/zinc/88/10/39/1027881039.db2.gz HHVAPBPGDGHLPM-HZPDHXFCSA-N 2 1 333.545 3.826 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]3C3CC3)sc2C1 ZINC000414479317 1027881060 /nfs/dbraw/zinc/88/10/60/1027881060.db2.gz HHVAPBPGDGHLPM-HZPDHXFCSA-N 2 1 333.545 3.826 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000339072807 1027887152 /nfs/dbraw/zinc/88/71/52/1027887152.db2.gz ZQZYVOPHEBGGFR-ROUUACIJSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000339072807 1027887173 /nfs/dbraw/zinc/88/71/73/1027887173.db2.gz ZQZYVOPHEBGGFR-ROUUACIJSA-N 2 1 341.430 3.729 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422720211 1027888650 /nfs/dbraw/zinc/88/86/50/1027888650.db2.gz SFWGVUXAHNXZLE-QMTHXVAHSA-N 2 1 331.685 3.580 20 0 EHADMP CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913856 1027898585 /nfs/dbraw/zinc/89/85/85/1027898585.db2.gz BLCRGBTWQFDADJ-PMACEKPBSA-N 2 1 348.556 3.673 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339070135 1027900048 /nfs/dbraw/zinc/90/00/48/1027900048.db2.gz WWBOCRMINATABS-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339070135 1027900067 /nfs/dbraw/zinc/90/00/67/1027900067.db2.gz WWBOCRMINATABS-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339070135 1027900087 /nfs/dbraw/zinc/90/00/87/1027900087.db2.gz WWBOCRMINATABS-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339070135 1027900103 /nfs/dbraw/zinc/90/01/03/1027900103.db2.gz WWBOCRMINATABS-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339070135 1027900119 /nfs/dbraw/zinc/90/01/19/1027900119.db2.gz WWBOCRMINATABS-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339070135 1027900134 /nfs/dbraw/zinc/90/01/34/1027900134.db2.gz WWBOCRMINATABS-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339070135 1027900151 /nfs/dbraw/zinc/90/01/51/1027900151.db2.gz WWBOCRMINATABS-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690476 1027933631 /nfs/dbraw/zinc/93/36/31/1027933631.db2.gz ICSWAIMCGQEKLV-IIYDPXPESA-N 2 1 343.298 3.755 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000414690476 1027933646 /nfs/dbraw/zinc/93/36/46/1027933646.db2.gz ICSWAIMCGQEKLV-IIYDPXPESA-N 2 1 343.298 3.755 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cccc(C)c3)CC2)CC1 ZINC000420982547 1027942475 /nfs/dbraw/zinc/94/24/75/1027942475.db2.gz PIDAOSLGYVHHEW-IBGZPJMESA-N 2 1 329.532 3.548 20 0 EHADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1 ZINC001167625400 1027949573 /nfs/dbraw/zinc/94/95/73/1027949573.db2.gz WWHVMKQZLDWNKG-QGZVFWFLSA-N 2 1 330.520 3.723 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CCC(C)(C)CC3)CC2)CC1 ZINC000420977394 1027957372 /nfs/dbraw/zinc/95/73/72/1027957372.db2.gz HZCNDTUIXODSSQ-UHFFFAOYSA-N 2 1 335.580 3.695 20 0 EHADMP [NH3+][C@H]1C[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)c2ccccc21 ZINC000422794176 1027966460 /nfs/dbraw/zinc/96/64/60/1027966460.db2.gz YRYITMFIRTYYHG-LSDHHAIUSA-N 2 1 337.254 3.535 20 0 EHADMP C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000422826642 1027972555 /nfs/dbraw/zinc/97/25/55/1027972555.db2.gz RELVGDNDRHESPT-QHAWAJNXSA-N 3 1 333.564 3.684 20 0 EHADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851445 1027987149 /nfs/dbraw/zinc/98/71/49/1027987149.db2.gz OXDGUWABOPHTLO-AEFFLSMTSA-N 2 1 329.513 3.535 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422880488 1028012412 /nfs/dbraw/zinc/01/24/12/1028012412.db2.gz MFNMMMPLLRUJNH-XPQZIERPSA-N 3 1 329.532 3.526 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000502255782 1028028374 /nfs/dbraw/zinc/02/83/74/1028028374.db2.gz NTCYFPVZKCYAPA-GHTZIAJQSA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255782 1028028397 /nfs/dbraw/zinc/02/83/97/1028028397.db2.gz NTCYFPVZKCYAPA-GHTZIAJQSA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000502255782 1028028415 /nfs/dbraw/zinc/02/84/15/1028028415.db2.gz NTCYFPVZKCYAPA-GHTZIAJQSA-N 2 1 328.500 3.706 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422915199 1028048027 /nfs/dbraw/zinc/04/80/27/1028048027.db2.gz XOGYKEFLDSGDKP-PGRDOPGGSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422915199 1028048042 /nfs/dbraw/zinc/04/80/42/1028048042.db2.gz XOGYKEFLDSGDKP-PGRDOPGGSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422915199 1028048062 /nfs/dbraw/zinc/04/80/62/1028048062.db2.gz XOGYKEFLDSGDKP-PGRDOPGGSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422915199 1028048080 /nfs/dbraw/zinc/04/80/80/1028048080.db2.gz XOGYKEFLDSGDKP-PGRDOPGGSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422915199 1028048095 /nfs/dbraw/zinc/04/80/95/1028048095.db2.gz XOGYKEFLDSGDKP-PGRDOPGGSA-N 2 1 339.527 3.575 20 0 EHADMP COc1cccc(C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]2CCCO2)c1 ZINC000444588004 1028065772 /nfs/dbraw/zinc/06/57/72/1028065772.db2.gz CGCDXFGVBMQKSW-NRFANRHFSA-N 2 1 346.515 3.552 20 0 EHADMP COc1cccc(C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]2CCCO2)c1 ZINC000444588004 1028065791 /nfs/dbraw/zinc/06/57/91/1028065791.db2.gz CGCDXFGVBMQKSW-NRFANRHFSA-N 2 1 346.515 3.552 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[NH2+]2)cc1 ZINC000422920964 1028076262 /nfs/dbraw/zinc/07/62/62/1028076262.db2.gz ODLVMVHVLXMLMV-VQTJNVASSA-N 2 1 328.500 3.809 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515352 1028080432 /nfs/dbraw/zinc/08/04/32/1028080432.db2.gz FBPJABWRLBBJPY-NVXWUHKLSA-N 2 1 343.496 3.742 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515352 1028080452 /nfs/dbraw/zinc/08/04/52/1028080452.db2.gz FBPJABWRLBBJPY-NVXWUHKLSA-N 2 1 343.496 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515352 1028080468 /nfs/dbraw/zinc/08/04/68/1028080468.db2.gz FBPJABWRLBBJPY-NVXWUHKLSA-N 2 1 343.496 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515352 1028080486 /nfs/dbraw/zinc/08/04/86/1028080486.db2.gz FBPJABWRLBBJPY-NVXWUHKLSA-N 2 1 343.496 3.742 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000423085537 1028171009 /nfs/dbraw/zinc/17/10/09/1028171009.db2.gz KTDSJWKYKWQWMK-JTHBVZDNSA-N 2 1 349.522 3.986 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000444702096 1028177692 /nfs/dbraw/zinc/17/76/92/1028177692.db2.gz QULZOFLDKCLRLR-INIZCTEOSA-N 2 1 325.294 3.674 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000444702096 1028177703 /nfs/dbraw/zinc/17/77/03/1028177703.db2.gz QULZOFLDKCLRLR-INIZCTEOSA-N 2 1 325.294 3.674 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000444702096 1028177710 /nfs/dbraw/zinc/17/77/10/1028177710.db2.gz QULZOFLDKCLRLR-INIZCTEOSA-N 2 1 325.294 3.674 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000444702096 1028177719 /nfs/dbraw/zinc/17/77/19/1028177719.db2.gz QULZOFLDKCLRLR-INIZCTEOSA-N 2 1 325.294 3.674 20 0 EHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116307 1028186222 /nfs/dbraw/zinc/18/62/22/1028186222.db2.gz PHSLWUIDWYBHFY-YCRPNKLZSA-N 2 1 339.458 3.788 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423111696 1028205118 /nfs/dbraw/zinc/20/51/18/1028205118.db2.gz JAJGVUCLUQPEOY-OLMNPRSZSA-N 2 1 338.442 3.903 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134504 1028220079 /nfs/dbraw/zinc/22/00/79/1028220079.db2.gz MHRFYVPGBRDVOR-AGRHKRQWSA-N 2 1 336.414 3.807 20 0 EHADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(Br)cc2)s1 ZINC000423183519 1028228491 /nfs/dbraw/zinc/22/84/91/1028228491.db2.gz MLVWWEZBEJSUGD-SNVBAGLBSA-N 2 1 325.275 3.787 20 0 EHADMP [NH3+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423182770 1028229900 /nfs/dbraw/zinc/22/99/00/1028229900.db2.gz HDUDORXZGQAKCO-MRXNPFEDSA-N 2 1 326.337 3.872 20 0 EHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCNCc1cccnc1 ZINC000423184854 1028230789 /nfs/dbraw/zinc/23/07/89/1028230789.db2.gz ITBMNGCSAQCMFR-HNNXBMFYSA-N 2 1 347.890 3.964 20 0 EHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184854 1028230805 /nfs/dbraw/zinc/23/08/05/1028230805.db2.gz ITBMNGCSAQCMFR-HNNXBMFYSA-N 2 1 347.890 3.964 20 0 EHADMP CC[N@@H+](Cc1ccc(OC)c(OCC(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000414720594 1028244386 /nfs/dbraw/zinc/24/43/86/1028244386.db2.gz YVUXWPCMSCUVBS-SFHVURJKSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423204053 1028272825 /nfs/dbraw/zinc/27/28/25/1028272825.db2.gz UBBXFNDJTODELF-HNNXBMFYSA-N 2 1 344.503 3.673 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000421367055 1028321039 /nfs/dbraw/zinc/32/10/39/1028321039.db2.gz DLPLDZHPOGJOKD-HXUWFJFHSA-N 2 1 343.559 3.672 20 0 EHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368397 1028321916 /nfs/dbraw/zinc/32/19/16/1028321916.db2.gz UPJALZJJUNPGHZ-FPOVZHCZSA-N 2 1 342.527 3.572 20 0 EHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368397 1028321936 /nfs/dbraw/zinc/32/19/36/1028321936.db2.gz UPJALZJJUNPGHZ-FPOVZHCZSA-N 2 1 342.527 3.572 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423283124 1028324384 /nfs/dbraw/zinc/32/43/84/1028324384.db2.gz XGHRRMVUPWZGJW-KDOFPFPSSA-N 2 1 334.410 3.823 20 0 EHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421368101 1028325965 /nfs/dbraw/zinc/32/59/65/1028325965.db2.gz FVGCORSYLHXNRY-NLMOZGTASA-N 2 1 343.559 3.544 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423290749 1028327606 /nfs/dbraw/zinc/32/76/06/1028327606.db2.gz FIDSQHQNYKIKMY-NJNPRVFISA-N 3 1 337.511 3.707 20 0 EHADMP C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423290749 1028327621 /nfs/dbraw/zinc/32/76/21/1028327621.db2.gz FIDSQHQNYKIKMY-NJNPRVFISA-N 2 1 337.511 3.707 20 0 EHADMP C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423290749 1028327637 /nfs/dbraw/zinc/32/76/37/1028327637.db2.gz FIDSQHQNYKIKMY-NJNPRVFISA-N 2 1 337.511 3.707 20 0 EHADMP CSc1cccc([C@@H]([NH2+]C[C@H](C)C[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423307369 1028342735 /nfs/dbraw/zinc/34/27/35/1028342735.db2.gz NAWXOEHAKKUXEV-KZULUSFZSA-N 2 1 336.451 3.961 20 0 EHADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423321900 1028360974 /nfs/dbraw/zinc/36/09/74/1028360974.db2.gz IBEUTUUILCIKHN-IBGZPJMESA-N 2 1 328.431 3.589 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc(C)n1 ZINC000421390828 1028363505 /nfs/dbraw/zinc/36/35/05/1028363505.db2.gz VHBJCURCYJHAIP-BHIFYINESA-N 2 1 335.495 3.699 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CCC3)cc1 ZINC000423436033 1028444330 /nfs/dbraw/zinc/44/43/30/1028444330.db2.gz FERLZVTVDOTSGT-LALPHHSUSA-N 2 1 331.485 3.521 20 0 EHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423503558 1028469876 /nfs/dbraw/zinc/46/98/76/1028469876.db2.gz FAMUAMZPAVTMMV-JZFKGDSASA-N 2 1 349.950 3.638 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CC2)CC[N@H+]1C ZINC000162157749 1028477679 /nfs/dbraw/zinc/47/76/79/1028477679.db2.gz PTFVXUOQZPERQC-ZIAGYGMSSA-N 2 1 337.305 3.553 20 0 EHADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423488866 1028477930 /nfs/dbraw/zinc/47/79/30/1028477930.db2.gz FEIJHMHWCCWYOZ-IRXDYDNUSA-N 2 1 344.421 3.761 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423494377 1028479950 /nfs/dbraw/zinc/47/99/50/1028479950.db2.gz RYRZHZUXJAXLQJ-RHSMWYFYSA-N 2 1 346.421 3.661 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423494376 1028480485 /nfs/dbraw/zinc/48/04/85/1028480485.db2.gz RYRZHZUXJAXLQJ-PBHICJAKSA-N 2 1 346.421 3.661 20 0 EHADMP COc1ccccc1COC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000162208881 1028506135 /nfs/dbraw/zinc/50/61/35/1028506135.db2.gz GLTNASSDQRWUPZ-UHFFFAOYSA-N 2 1 346.515 3.552 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3c4ccccc4C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000162257066 1028534304 /nfs/dbraw/zinc/53/43/04/1028534304.db2.gz IGQZOYZCGQUYOT-QKKBWIMNSA-N 2 1 336.483 3.585 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3c4ccccc4C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000162257341 1028539088 /nfs/dbraw/zinc/53/90/88/1028539088.db2.gz IGQZOYZCGQUYOT-SZNDQCEHSA-N 2 1 336.483 3.585 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771667 1028765087 /nfs/dbraw/zinc/76/50/87/1028765087.db2.gz AFKRSTSLVKACBI-QWHCGFSZSA-N 2 1 344.833 3.763 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414773516 1028790182 /nfs/dbraw/zinc/79/01/82/1028790182.db2.gz DLXVAVGAERFKGX-RTBURBONSA-N 2 1 346.515 3.696 20 0 EHADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCC(C)C ZINC000414773690 1028794933 /nfs/dbraw/zinc/79/49/33/1028794933.db2.gz XNANPUPHTTWGPN-KDURUIRLSA-N 2 1 346.515 3.552 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776781 1028861941 /nfs/dbraw/zinc/86/19/41/1028861941.db2.gz HSHDWAKVPUHSGX-HZPDHXFCSA-N 2 1 329.875 3.710 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccnc1Cl ZINC000162500829 1028886808 /nfs/dbraw/zinc/88/68/08/1028886808.db2.gz LKXKFNIIPKGRHX-CQSZACIVSA-N 2 1 333.863 3.526 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778882 1028896800 /nfs/dbraw/zinc/89/68/00/1028896800.db2.gz JMRMJXJHOHNNHX-KGLIPLIRSA-N 2 1 330.369 3.666 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248450432 1028907137 /nfs/dbraw/zinc/90/71/37/1028907137.db2.gz OZNQTHLANASBSC-GCJKJVERSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424289077 1028930519 /nfs/dbraw/zinc/93/05/19/1028930519.db2.gz LJYQYMXABVATIV-AWEZNQCLSA-N 2 1 342.405 3.592 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)cc3cccnc31)CC[NH2+]CC2 ZINC000424290434 1028930714 /nfs/dbraw/zinc/93/07/14/1028930714.db2.gz MOBYWJHZFAKTBY-AWEZNQCLSA-N 2 1 329.875 3.852 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)ccc1F)CC[NH2+]CC2 ZINC000424299901 1028941998 /nfs/dbraw/zinc/94/19/98/1028941998.db2.gz WEFKKERNXGFZKN-GFCCVEGCSA-N 2 1 341.268 3.552 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCC[NH+]2CCCCC2)C3)cc1 ZINC000245663287 1029016828 /nfs/dbraw/zinc/01/68/28/1029016828.db2.gz GFSSPBRCGPLZNL-DKUWSORSSA-N 3 1 341.543 3.648 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424378800 1029035608 /nfs/dbraw/zinc/03/56/08/1029035608.db2.gz NWEFMCNVDUBDIB-CQSZACIVSA-N 2 1 344.890 3.694 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000123873122 1029057113 /nfs/dbraw/zinc/05/71/13/1029057113.db2.gz DVZDYPBKKLXCBI-INIZCTEOSA-N 2 1 339.483 3.948 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000237362731 1029066854 /nfs/dbraw/zinc/06/68/54/1029066854.db2.gz JFCBJTSTVDRWLK-NSHDSACASA-N 2 1 329.416 3.666 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccncc2)CCN1Cc1ccccc1 ZINC000544405066 1029068151 /nfs/dbraw/zinc/06/81/51/1029068151.db2.gz NZSLOADDTVNJOY-SIKLNZKXSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000544405066 1029068169 /nfs/dbraw/zinc/06/81/69/1029068169.db2.gz NZSLOADDTVNJOY-SIKLNZKXSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000544405066 1029068187 /nfs/dbraw/zinc/06/81/87/1029068187.db2.gz NZSLOADDTVNJOY-SIKLNZKXSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405066 1029068204 /nfs/dbraw/zinc/06/82/04/1029068204.db2.gz NZSLOADDTVNJOY-SIKLNZKXSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405066 1029068222 /nfs/dbraw/zinc/06/82/22/1029068222.db2.gz NZSLOADDTVNJOY-SIKLNZKXSA-N 2 1 337.511 3.999 20 0 EHADMP CC[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936725 1029090819 /nfs/dbraw/zinc/09/08/19/1029090819.db2.gz KILFXNOPNAAYNC-CJNGLKHVSA-N 2 1 330.394 3.534 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000261624272 1029119252 /nfs/dbraw/zinc/11/92/52/1029119252.db2.gz CKARQJWFHIUNDH-SZMVWBNQSA-N 2 1 327.497 3.678 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000261624272 1029119265 /nfs/dbraw/zinc/11/92/65/1029119265.db2.gz CKARQJWFHIUNDH-SZMVWBNQSA-N 2 1 327.497 3.678 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000414808972 1029279039 /nfs/dbraw/zinc/27/90/39/1029279039.db2.gz LPNVCNDELXVCNW-UHFFFAOYSA-N 2 1 348.512 3.943 20 0 EHADMP CC[N@@H+](Cc1ccc(-c2nc(-c3ccc(C[NH3+])cc3)no2)cc1)C1CC1 ZINC000261688567 1029482311 /nfs/dbraw/zinc/48/23/11/1029482311.db2.gz AUPBWXHAAOBUIT-UHFFFAOYSA-N 2 1 348.450 3.847 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261784042 1029505141 /nfs/dbraw/zinc/50/51/41/1029505141.db2.gz FRQQNIGSTFNGCB-WMLDXEAASA-N 2 1 330.422 3.766 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000343153118 1029513954 /nfs/dbraw/zinc/51/39/54/1029513954.db2.gz KTEJVQUBONPNBY-DMKPSLHHSA-N 2 1 327.472 3.849 20 0 EHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000261953088 1029538364 /nfs/dbraw/zinc/53/83/64/1029538364.db2.gz OHROVDMKOSQHRQ-HUUCEWRRSA-N 2 1 330.422 3.766 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272649760 1029548891 /nfs/dbraw/zinc/54/88/91/1029548891.db2.gz JZUCMXCNWLUZDH-VWPQPMDRSA-N 3 1 345.575 3.997 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272649760 1029548898 /nfs/dbraw/zinc/54/88/98/1029548898.db2.gz JZUCMXCNWLUZDH-VWPQPMDRSA-N 2 1 345.575 3.997 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262039196 1029554727 /nfs/dbraw/zinc/55/47/27/1029554727.db2.gz YAIDWUQUGLDZGO-HNNXBMFYSA-N 2 1 330.422 3.638 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000520794612 1029557650 /nfs/dbraw/zinc/55/76/50/1029557650.db2.gz BGXLDYKTKWFYCN-SFHVURJKSA-N 2 1 345.531 3.766 20 0 EHADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262169168 1029569609 /nfs/dbraw/zinc/56/96/09/1029569609.db2.gz WQCHIXBVUBCJAE-OAQYLSRUSA-N 2 1 345.531 3.585 20 0 EHADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000533308446 1029593025 /nfs/dbraw/zinc/59/30/25/1029593025.db2.gz VFNYVQBWFUFYCI-LEWJYISDSA-N 2 1 343.559 3.773 20 0 EHADMP CC[N@@H+](CCC(F)(F)F)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092753900 1029721044 /nfs/dbraw/zinc/72/10/44/1029721044.db2.gz COIYWIRNOPUXFT-UHFFFAOYSA-N 2 1 344.421 3.936 20 0 EHADMP COCCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000282071655 1029728469 /nfs/dbraw/zinc/72/84/69/1029728469.db2.gz WWBWVUARYLWURY-HNAYVOBHSA-N 2 1 333.451 3.724 20 0 EHADMP CC(C)[NH+](CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709006 1029776593 /nfs/dbraw/zinc/77/65/93/1029776593.db2.gz FRKBMEPZVSOEPP-RBBKRZOGSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000508709006 1029776600 /nfs/dbraw/zinc/77/66/00/1029776600.db2.gz FRKBMEPZVSOEPP-RBBKRZOGSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709006 1029776606 /nfs/dbraw/zinc/77/66/06/1029776606.db2.gz FRKBMEPZVSOEPP-RBBKRZOGSA-N 3 1 345.575 3.996 20 0 EHADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338213 1029815217 /nfs/dbraw/zinc/81/52/17/1029815217.db2.gz ORJMJZTUWIGRGI-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP CC1(C)CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000193317186 1029820683 /nfs/dbraw/zinc/82/06/83/1029820683.db2.gz GNZQKGLCOROMBY-RAFMOHDBSA-N 2 1 328.500 3.729 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@H](C)C1 ZINC000481737681 1029895948 /nfs/dbraw/zinc/89/59/48/1029895948.db2.gz PEZOOOBTUFKKKM-TZIWHRDSSA-N 2 1 346.559 3.999 20 0 EHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](C)CC2CCOCC2)CC1 ZINC000447072672 1029923255 /nfs/dbraw/zinc/92/32/55/1029923255.db2.gz MSVLIBWMSFNXCP-MRXNPFEDSA-N 2 1 332.488 3.686 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453222505 1029936192 /nfs/dbraw/zinc/93/61/92/1029936192.db2.gz QLTHHANXYCKVOF-MUGJNUQGSA-N 2 1 330.541 3.772 20 0 EHADMP C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453240281 1029966510 /nfs/dbraw/zinc/96/65/10/1029966510.db2.gz VQOSKAFMFNNTAW-JKLQHZFJSA-N 2 1 344.543 3.675 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000650705262 1029970517 /nfs/dbraw/zinc/97/05/17/1029970517.db2.gz APFHBVHAMUGWLW-CKEIUWERSA-N 2 1 343.298 3.712 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000453279103 1030018721 /nfs/dbraw/zinc/01/87/21/1030018721.db2.gz DWRPKCVKLQNULS-BHDDXSALSA-N 2 1 340.511 3.614 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000453302098 1030042358 /nfs/dbraw/zinc/04/23/58/1030042358.db2.gz BEZDZDFIORUJTI-UHFFFAOYSA-N 2 1 348.506 3.786 20 0 EHADMP Cc1ncsc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453307186 1030076410 /nfs/dbraw/zinc/07/64/10/1030076410.db2.gz MFBYAHBDHXKDLU-LDLYASANSA-N 2 1 341.524 3.779 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CCOCC1 ZINC000531950716 1030122309 /nfs/dbraw/zinc/12/23/09/1030122309.db2.gz WLEVBVQMJUUJNO-GOSISDBHSA-N 2 1 331.435 3.615 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000361396900 1030157309 /nfs/dbraw/zinc/15/73/09/1030157309.db2.gz VRIUSYZBGRCLNN-UHFFFAOYSA-N 2 1 340.393 3.772 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000361396900 1030157320 /nfs/dbraw/zinc/15/73/20/1030157320.db2.gz VRIUSYZBGRCLNN-UHFFFAOYSA-N 2 1 340.393 3.772 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000650719261 1030158181 /nfs/dbraw/zinc/15/81/81/1030158181.db2.gz JPCKGTDMJRIWQN-XMSQKQJNSA-N 3 1 337.511 3.549 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000650719261 1030158190 /nfs/dbraw/zinc/15/81/90/1030158190.db2.gz JPCKGTDMJRIWQN-XMSQKQJNSA-N 2 1 337.511 3.549 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000650719287 1030177559 /nfs/dbraw/zinc/17/75/59/1030177559.db2.gz KNOPNQOYHXMJDL-DYESRHJHSA-N 3 1 329.532 3.539 20 0 EHADMP C[NH+]1CCCC(C)(C)[C@H]1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550797202 1030185948 /nfs/dbraw/zinc/18/59/48/1030185948.db2.gz OFYVRCIBELIXIP-XUVXKRRUSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550797202 1030185960 /nfs/dbraw/zinc/18/59/60/1030185960.db2.gz OFYVRCIBELIXIP-XUVXKRRUSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550797202 1030185973 /nfs/dbraw/zinc/18/59/73/1030185973.db2.gz OFYVRCIBELIXIP-XUVXKRRUSA-N 2 1 329.532 3.532 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc3ccccc3s2)C1 ZINC000650723987 1030218593 /nfs/dbraw/zinc/21/85/93/1030218593.db2.gz WMVJTXURBITSHU-NXHRZFHOSA-N 2 1 330.497 3.762 20 0 EHADMP CCc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482155188 1030230897 /nfs/dbraw/zinc/23/08/97/1030230897.db2.gz HOCNJZSEKABONG-RBUKOAKNSA-N 2 1 345.531 3.678 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(CC)cc2)[C@H](C)C1 ZINC000482153735 1030231559 /nfs/dbraw/zinc/23/15/59/1030231559.db2.gz BFSSMMCSTINIIG-NQIIRXRSSA-N 2 1 332.532 3.518 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)ccc1C ZINC000482146314 1030237655 /nfs/dbraw/zinc/23/76/55/1030237655.db2.gz AGFYHQHNVOZJDQ-RBUKOAKNSA-N 2 1 345.531 3.732 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nc2ccc(Cl)cc2n1C ZINC000453395948 1030247116 /nfs/dbraw/zinc/24/71/16/1030247116.db2.gz IHAQNODXJYBPOW-CYBMUJFWSA-N 2 1 334.895 3.752 20 0 EHADMP C[NH+](C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000447508218 1030254369 /nfs/dbraw/zinc/25/43/69/1030254369.db2.gz KAGZAYMTRMFNEN-WKCHPHFGSA-N 2 1 341.543 3.646 20 0 EHADMP FC1(F)CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000453422664 1030274174 /nfs/dbraw/zinc/27/41/74/1030274174.db2.gz MZLAGKJCHFCYPV-GUDVDZBRSA-N 2 1 334.454 3.922 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000482234296 1030277658 /nfs/dbraw/zinc/27/76/58/1030277658.db2.gz LPUJGPJEXUGILT-XJKSGUPXSA-N 2 1 328.422 3.913 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453595397 1030355876 /nfs/dbraw/zinc/35/58/76/1030355876.db2.gz WDFWHZQQLASYIW-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453595397 1030355891 /nfs/dbraw/zinc/35/58/91/1030355891.db2.gz WDFWHZQQLASYIW-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603966 1030358387 /nfs/dbraw/zinc/35/83/87/1030358387.db2.gz YAJAZQVXVRIUHM-IYWMVGAKSA-N 2 1 342.508 3.567 20 0 EHADMP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447603966 1030358408 /nfs/dbraw/zinc/35/84/08/1030358408.db2.gz YAJAZQVXVRIUHM-IYWMVGAKSA-N 2 1 342.508 3.567 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000526083910 1030406489 /nfs/dbraw/zinc/40/64/89/1030406489.db2.gz QEQWKNMMZRICTH-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000526083910 1030406497 /nfs/dbraw/zinc/40/64/97/1030406497.db2.gz QEQWKNMMZRICTH-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000526083910 1030406504 /nfs/dbraw/zinc/40/65/04/1030406504.db2.gz QEQWKNMMZRICTH-RHSMWYFYSA-N 2 1 339.321 3.920 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C[C@H](C)c3ccc(F)cc3)CCCC2)CC1 ZINC000526119447 1030437655 /nfs/dbraw/zinc/43/76/55/1030437655.db2.gz HHGNZCVNSPJGDK-KRWDZBQOSA-N 2 1 348.506 3.942 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188544 1030465803 /nfs/dbraw/zinc/46/58/03/1030465803.db2.gz KGDNAWJFYRYYAI-ROUUACIJSA-N 2 1 335.561 3.761 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000532187890 1030466621 /nfs/dbraw/zinc/46/66/21/1030466621.db2.gz DDWPZDDRJIKBEY-QAPCUYQASA-N 2 1 347.503 3.527 20 0 EHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188542 1030466908 /nfs/dbraw/zinc/46/69/08/1030466908.db2.gz KGDNAWJFYRYYAI-QZTJIDSGSA-N 2 1 335.561 3.761 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244462 1030509869 /nfs/dbraw/zinc/50/98/69/1030509869.db2.gz PULZGNRRIXHTEC-SJORKVTESA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244462 1030509882 /nfs/dbraw/zinc/50/98/82/1030509882.db2.gz PULZGNRRIXHTEC-SJORKVTESA-N 2 1 326.406 3.925 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244462 1030509899 /nfs/dbraw/zinc/50/98/99/1030509899.db2.gz PULZGNRRIXHTEC-SJORKVTESA-N 2 1 326.406 3.925 20 0 EHADMP CCOC(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC000278389501 1030551072 /nfs/dbraw/zinc/55/10/72/1030551072.db2.gz DPHMDFLWTCEVCO-ACDBMABISA-N 2 1 346.515 3.561 20 0 EHADMP CC[NH+](CC)C[C@H](C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228549004 1030557196 /nfs/dbraw/zinc/55/71/96/1030557196.db2.gz ODZBFTWSTLQPIL-ZDUSSCGKSA-N 2 1 343.309 3.620 20 0 EHADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000568051089 1030660237 /nfs/dbraw/zinc/66/02/37/1030660237.db2.gz WRKPRTXPXPAYFC-SFHVURJKSA-N 2 1 341.524 3.861 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000550896207 1030776295 /nfs/dbraw/zinc/77/62/95/1030776295.db2.gz XZKVZJXYYRKTOO-HNNXBMFYSA-N 2 1 344.478 3.925 20 0 EHADMP C([NH+]1CC[C@@H]2CCCC[C@@H]21)C1(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)COC1 ZINC000583809869 1030820009 /nfs/dbraw/zinc/82/00/09/1030820009.db2.gz IVYREQUXCPGQGT-MUGJNUQGSA-N 2 1 332.532 3.532 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172203 1030844354 /nfs/dbraw/zinc/84/43/54/1030844354.db2.gz HQHCUGDTPGGZJO-KSSFIOAISA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172203 1030844367 /nfs/dbraw/zinc/84/43/67/1030844367.db2.gz HQHCUGDTPGGZJO-KSSFIOAISA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000668172203 1030844377 /nfs/dbraw/zinc/84/43/77/1030844377.db2.gz HQHCUGDTPGGZJO-KSSFIOAISA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000668172203 1030844392 /nfs/dbraw/zinc/84/43/92/1030844392.db2.gz HQHCUGDTPGGZJO-KSSFIOAISA-N 2 1 329.513 3.891 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000227908021 1030852575 /nfs/dbraw/zinc/85/25/75/1030852575.db2.gz GVJSTIJHKNWZQX-MRVPVSSYSA-N 2 1 337.714 3.723 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527644969 1031072947 /nfs/dbraw/zinc/07/29/47/1031072947.db2.gz LHCDDDXJVFWDBZ-UXHICEINSA-N 2 1 330.516 3.539 20 0 EHADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000194610269 1031079169 /nfs/dbraw/zinc/07/91/69/1031079169.db2.gz VVWIUAKHVIEJQQ-XMSQKQJNSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186533 1031091836 /nfs/dbraw/zinc/09/18/36/1031091836.db2.gz MHTOAQBPKLGYGV-WBMJQRKESA-N 2 1 335.904 3.893 20 0 EHADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551186533 1031091856 /nfs/dbraw/zinc/09/18/56/1031091856.db2.gz MHTOAQBPKLGYGV-WBMJQRKESA-N 2 1 335.904 3.893 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC ZINC000666968812 1031095277 /nfs/dbraw/zinc/09/52/77/1031095277.db2.gz JKGRTEUWZUZRDU-UHOSZYNNSA-N 2 1 346.515 3.837 20 0 EHADMP c1ccc(CN2CC[C@@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000657806513 1031104718 /nfs/dbraw/zinc/10/47/18/1031104718.db2.gz DDQFDIFEELIDQJ-HSZRJFAPSA-N 2 1 349.522 3.515 20 0 EHADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1OC(F)F ZINC000537698377 1031142285 /nfs/dbraw/zinc/14/22/85/1031142285.db2.gz YMXBXZHFYDNANF-IRXDYDNUSA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698377 1031142289 /nfs/dbraw/zinc/14/22/89/1031142289.db2.gz YMXBXZHFYDNANF-IRXDYDNUSA-N 2 1 338.442 3.821 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1OC(F)F ZINC000537698377 1031142294 /nfs/dbraw/zinc/14/22/94/1031142294.db2.gz YMXBXZHFYDNANF-IRXDYDNUSA-N 2 1 338.442 3.821 20 0 EHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476979304 1031146806 /nfs/dbraw/zinc/14/68/06/1031146806.db2.gz DRMALCUHQUQLBS-IRXDYDNUSA-N 2 1 338.536 3.693 20 0 EHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476979304 1031146814 /nfs/dbraw/zinc/14/68/14/1031146814.db2.gz DRMALCUHQUQLBS-IRXDYDNUSA-N 2 1 338.536 3.693 20 0 EHADMP CCC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OCC ZINC000527747616 1031201675 /nfs/dbraw/zinc/20/16/75/1031201675.db2.gz SSGLNLUKCGJPSJ-HXUWFJFHSA-N 2 1 336.495 3.627 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CC12CC2 ZINC000527847135 1031361257 /nfs/dbraw/zinc/36/12/57/1031361257.db2.gz LRZISWGVGBISHR-YZLZLFLDSA-N 2 1 328.500 3.574 20 0 EHADMP CCCCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000551534860 1031435103 /nfs/dbraw/zinc/43/51/03/1031435103.db2.gz RJRGTVZQJFUUSK-LJQANCHMSA-N 2 1 347.547 3.544 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1OCC(F)(F)F ZINC000666997115 1031456988 /nfs/dbraw/zinc/45/69/88/1031456988.db2.gz XQOXKHACUACWAZ-CYBMUJFWSA-N 2 1 346.368 3.531 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127860 1031461132 /nfs/dbraw/zinc/46/11/32/1031461132.db2.gz KVLXXPRBKXANET-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000484127860 1031461137 /nfs/dbraw/zinc/46/11/37/1031461137.db2.gz KVLXXPRBKXANET-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159926 1031468837 /nfs/dbraw/zinc/46/88/37/1031468837.db2.gz ZXMNNTKFMXBKDB-JTQLQIEISA-N 2 1 327.259 3.821 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000484165501 1031483255 /nfs/dbraw/zinc/48/32/55/1031483255.db2.gz PNCKRQSQCCOHEY-PZJWPPBQSA-N 2 1 332.532 3.573 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000527992503 1031551093 /nfs/dbraw/zinc/55/10/93/1031551093.db2.gz DDYQPEPRADGUMD-POAQFYNOSA-N 2 1 329.463 3.620 20 0 EHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1OC(F)F ZINC000484467695 1031582908 /nfs/dbraw/zinc/58/29/08/1031582908.db2.gz AVFQUDKYWQBLCS-UBHSHLNASA-N 2 1 330.394 3.951 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774191 1031606751 /nfs/dbraw/zinc/60/67/51/1031606751.db2.gz NPYDBVQSNDDXLL-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774191 1031606758 /nfs/dbraw/zinc/60/67/58/1031606758.db2.gz NPYDBVQSNDDXLL-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774191 1031606764 /nfs/dbraw/zinc/60/67/64/1031606764.db2.gz NPYDBVQSNDDXLL-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000158774191 1031606769 /nfs/dbraw/zinc/60/67/69/1031606769.db2.gz NPYDBVQSNDDXLL-YJBOKZPZSA-N 2 1 329.875 3.804 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551806058 1031666680 /nfs/dbraw/zinc/66/66/80/1031666680.db2.gz LZGQGVSSQFWDCX-ZWKOTPCHSA-N 2 1 332.536 3.764 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000551789520 1031667963 /nfs/dbraw/zinc/66/79/63/1031667963.db2.gz PLKVGWUCKPYXDK-KGLIPLIRSA-N 2 1 325.884 3.516 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000551789519 1031668324 /nfs/dbraw/zinc/66/83/24/1031668324.db2.gz PLKVGWUCKPYXDK-KBPBESRZSA-N 2 1 325.884 3.516 20 0 EHADMP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584112754 1031758684 /nfs/dbraw/zinc/75/86/84/1031758684.db2.gz HLAFZRMTURQXCQ-HXUWFJFHSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584112754 1031758699 /nfs/dbraw/zinc/75/86/99/1031758699.db2.gz HLAFZRMTURQXCQ-HXUWFJFHSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1CCC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180108419 1031801941 /nfs/dbraw/zinc/80/19/41/1031801941.db2.gz NZGBZIVJSZWYGJ-BHGTWAMESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180108419 1031801957 /nfs/dbraw/zinc/80/19/57/1031801957.db2.gz NZGBZIVJSZWYGJ-BHGTWAMESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180108419 1031801970 /nfs/dbraw/zinc/80/19/70/1031801970.db2.gz NZGBZIVJSZWYGJ-BHGTWAMESA-N 2 1 341.543 3.504 20 0 EHADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000180140534 1031858796 /nfs/dbraw/zinc/85/87/96/1031858796.db2.gz URGCRQHYNBNVLN-LQCXBHPOSA-N 2 1 336.479 3.505 20 0 EHADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000180140534 1031858811 /nfs/dbraw/zinc/85/88/11/1031858811.db2.gz URGCRQHYNBNVLN-LQCXBHPOSA-N 2 1 336.479 3.505 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]2CCCO[C@@H]21 ZINC000181631809 1032015404 /nfs/dbraw/zinc/01/54/04/1032015404.db2.gz CRMCPSVFMRHIRN-AITUJVMLSA-N 2 1 348.556 3.753 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]2CCCO[C@@H]21 ZINC000181631809 1032015409 /nfs/dbraw/zinc/01/54/09/1032015409.db2.gz CRMCPSVFMRHIRN-AITUJVMLSA-N 2 1 348.556 3.753 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470038 1033367786 /nfs/dbraw/zinc/36/77/86/1033367786.db2.gz JOIUNGUEXJWLGE-HOCLYGCPSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470038 1033367796 /nfs/dbraw/zinc/36/77/96/1033367796.db2.gz JOIUNGUEXJWLGE-HOCLYGCPSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470038 1033367804 /nfs/dbraw/zinc/36/78/04/1033367804.db2.gz JOIUNGUEXJWLGE-HOCLYGCPSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470038 1033367811 /nfs/dbraw/zinc/36/78/11/1033367811.db2.gz JOIUNGUEXJWLGE-HOCLYGCPSA-N 2 1 326.431 3.677 20 0 EHADMP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093315315 1033441787 /nfs/dbraw/zinc/44/17/87/1033441787.db2.gz UFQIAGSVEMRRFF-MRXNPFEDSA-N 2 1 328.456 3.526 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657902033 1033447141 /nfs/dbraw/zinc/44/71/41/1033447141.db2.gz ZQFKMDXQIWTKNH-GHOZHQTGSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657902033 1033447148 /nfs/dbraw/zinc/44/71/48/1033447148.db2.gz ZQFKMDXQIWTKNH-GHOZHQTGSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535697 1033509202 /nfs/dbraw/zinc/50/92/02/1033509202.db2.gz VKPDFEBCUBJSTI-XJKSGUPXSA-N 2 1 325.294 3.832 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000641797793 1033533167 /nfs/dbraw/zinc/53/31/67/1033533167.db2.gz HAICQKDQDPYNGD-ROUUACIJSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000641797793 1033533181 /nfs/dbraw/zinc/53/31/81/1033533181.db2.gz HAICQKDQDPYNGD-ROUUACIJSA-N 2 1 325.456 3.614 20 0 EHADMP C[N@@H+](CCn1ccc2cc(Cl)ccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685584996 1033590338 /nfs/dbraw/zinc/59/03/38/1033590338.db2.gz JXDSEJSVXLPGCT-JWTNVVGKSA-N 2 1 331.891 3.852 20 0 EHADMP C[NH+](CCn1ccc2cc(Cl)ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685584996 1033590346 /nfs/dbraw/zinc/59/03/46/1033590346.db2.gz JXDSEJSVXLPGCT-JWTNVVGKSA-N 2 1 331.891 3.852 20 0 EHADMP C[NH+](CCn1ccc2cc(Cl)ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685584996 1033590361 /nfs/dbraw/zinc/59/03/61/1033590361.db2.gz JXDSEJSVXLPGCT-JWTNVVGKSA-N 2 1 331.891 3.852 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497439 1033724950 /nfs/dbraw/zinc/72/49/50/1033724950.db2.gz SSSXSWWECLSLSQ-QUCCMNQESA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497439 1033724969 /nfs/dbraw/zinc/72/49/69/1033724969.db2.gz SSSXSWWECLSLSQ-QUCCMNQESA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497439 1033724985 /nfs/dbraw/zinc/72/49/85/1033724985.db2.gz SSSXSWWECLSLSQ-QUCCMNQESA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497439 1033724998 /nfs/dbraw/zinc/72/49/98/1033724998.db2.gz SSSXSWWECLSLSQ-QUCCMNQESA-N 2 1 329.532 3.839 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550621503 1033734753 /nfs/dbraw/zinc/73/47/53/1033734753.db2.gz CYDDWXGBPAUEOV-AAEUAGOBSA-N 2 1 343.334 3.819 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550621503 1033734770 /nfs/dbraw/zinc/73/47/70/1033734770.db2.gz CYDDWXGBPAUEOV-AAEUAGOBSA-N 2 1 343.334 3.819 20 0 EHADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000574956609 1033740552 /nfs/dbraw/zinc/74/05/52/1033740552.db2.gz UKVHNKGTPHNBCO-ROUUACIJSA-N 2 1 332.536 3.691 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)[C@@H]1c1cccs1 ZINC000550666165 1033835899 /nfs/dbraw/zinc/83/58/99/1033835899.db2.gz WZVUNAQQVPDYHX-MBOZVWFJSA-N 2 1 342.508 3.724 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)[C@@H]1c1cccs1 ZINC000550666165 1033835914 /nfs/dbraw/zinc/83/59/14/1033835914.db2.gz WZVUNAQQVPDYHX-MBOZVWFJSA-N 2 1 342.508 3.724 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000658004567 1033836226 /nfs/dbraw/zinc/83/62/26/1033836226.db2.gz QPWGNGUJLJURDZ-RTBURBONSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000658004567 1033836236 /nfs/dbraw/zinc/83/62/36/1033836236.db2.gz QPWGNGUJLJURDZ-RTBURBONSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCn2nccc21 ZINC000658004961 1033836661 /nfs/dbraw/zinc/83/66/61/1033836661.db2.gz VFEYFLBRCIPNEU-UYAOXDASSA-N 2 1 338.499 3.608 20 0 EHADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019627 1033846123 /nfs/dbraw/zinc/84/61/23/1033846123.db2.gz SXJJNJMBIRDHNR-UXHICEINSA-N 2 1 338.499 3.610 20 0 EHADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019627 1033846139 /nfs/dbraw/zinc/84/61/39/1033846139.db2.gz SXJJNJMBIRDHNR-UXHICEINSA-N 2 1 338.499 3.610 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000575215723 1033892508 /nfs/dbraw/zinc/89/25/08/1033892508.db2.gz IEMSKHLCDOLNTL-PXNSSMCTSA-N 2 1 343.540 3.696 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658091028 1033918061 /nfs/dbraw/zinc/91/80/61/1033918061.db2.gz KFKOTIAZLLRQCK-NCYKPQTJSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658091028 1033918072 /nfs/dbraw/zinc/91/80/72/1033918072.db2.gz KFKOTIAZLLRQCK-NCYKPQTJSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658091028 1033918088 /nfs/dbraw/zinc/91/80/88/1033918088.db2.gz KFKOTIAZLLRQCK-NCYKPQTJSA-N 2 1 341.543 3.644 20 0 EHADMP CCc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000450231980 1033949365 /nfs/dbraw/zinc/94/93/65/1033949365.db2.gz VJMMLVRJXDALNY-UHFFFAOYSA-N 2 1 332.451 3.514 20 0 EHADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])ccc2o1 ZINC000595911174 1034027602 /nfs/dbraw/zinc/02/76/02/1034027602.db2.gz SGOVBFHZBSHDHX-RHSMWYFYSA-N 2 1 344.455 3.559 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000658178117 1034044554 /nfs/dbraw/zinc/04/45/54/1034044554.db2.gz ZNZPTGUXJUPNAT-FPOVZHCZSA-N 2 1 332.532 3.573 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450342692 1034148135 /nfs/dbraw/zinc/14/81/35/1034148135.db2.gz TXYFULZCTDHKQN-JZXOWHBKSA-N 2 1 344.490 3.633 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537325 1034165852 /nfs/dbraw/zinc/16/58/52/1034165852.db2.gz DHYTYMGNXDZDRI-UONOGXRCSA-N 2 1 328.472 3.984 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC(F)(F)C1 ZINC000529537325 1034165860 /nfs/dbraw/zinc/16/58/60/1034165860.db2.gz DHYTYMGNXDZDRI-UONOGXRCSA-N 2 1 328.472 3.984 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001168120041 1034278398 /nfs/dbraw/zinc/27/83/98/1034278398.db2.gz UTYAJWVENUSVLW-ZHALLVOQSA-N 2 1 332.488 3.524 20 0 EHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)ccc21 ZINC000456283385 1034303494 /nfs/dbraw/zinc/30/34/94/1034303494.db2.gz SRETXPXIIUPPNH-WOJBJXKFSA-N 2 1 341.499 3.581 20 0 EHADMP CCc1cnc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000372353686 1034384371 /nfs/dbraw/zinc/38/43/71/1034384371.db2.gz HGMITDADOLXYKP-AEFFLSMTSA-N 2 1 343.540 3.748 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C)c(C(=O)OC)o2)c1 ZINC000597048538 1034522556 /nfs/dbraw/zinc/52/25/56/1034522556.db2.gz WGVQGOAMXODBBT-UHFFFAOYSA-N 2 1 344.455 3.506 20 0 EHADMP C[N@@H+](CC1CC(F)(F)C1)[C@@H]1CCC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450616028 1034597454 /nfs/dbraw/zinc/59/74/54/1034597454.db2.gz QIRGVRMAAKUKPP-OAHLLOKOSA-N 2 1 336.417 3.863 20 0 EHADMP C[NH+](CC1CC(F)(F)C1)[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC000450616028 1034597457 /nfs/dbraw/zinc/59/74/57/1034597457.db2.gz QIRGVRMAAKUKPP-OAHLLOKOSA-N 2 1 336.417 3.863 20 0 EHADMP C[NH+](CC1CC(F)(F)C1)[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000450616028 1034597460 /nfs/dbraw/zinc/59/74/60/1034597460.db2.gz QIRGVRMAAKUKPP-OAHLLOKOSA-N 2 1 336.417 3.863 20 0 EHADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000597228737 1034609241 /nfs/dbraw/zinc/60/92/41/1034609241.db2.gz GHKURVIJJALVBS-IPMKNSEASA-N 2 1 330.541 3.772 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000390548264 1034759945 /nfs/dbraw/zinc/75/99/45/1034759945.db2.gz JFSXJQJLKBWAQD-KKURMSBHSA-N 2 1 342.527 3.975 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450758621 1034780089 /nfs/dbraw/zinc/78/00/89/1034780089.db2.gz NRQCJCYQMSPEEI-ZACQAIPSSA-N 2 1 332.479 3.539 20 0 EHADMP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918290 1034800476 /nfs/dbraw/zinc/80/04/76/1034800476.db2.gz LAPJVQPKKGRYAZ-MOPGFXCFSA-N 2 1 336.907 3.978 20 0 EHADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918290 1034800488 /nfs/dbraw/zinc/80/04/88/1034800488.db2.gz LAPJVQPKKGRYAZ-MOPGFXCFSA-N 2 1 336.907 3.978 20 0 EHADMP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000065982055 1035062305 /nfs/dbraw/zinc/06/23/05/1035062305.db2.gz KRBFNHKKASYKNC-UHFFFAOYSA-N 2 1 340.511 3.833 20 0 EHADMP Cc1cc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000376057601 1035197342 /nfs/dbraw/zinc/19/73/42/1035197342.db2.gz NKXGVGWGDCIIIE-UHFFFAOYSA-N 2 1 327.472 3.558 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647496757 1035319831 /nfs/dbraw/zinc/31/98/31/1035319831.db2.gz OGSCXVGBMLZMIR-VQIMIIECSA-N 2 1 342.458 3.964 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccn(C)n1 ZINC000414082106 1035460415 /nfs/dbraw/zinc/46/04/15/1035460415.db2.gz FKKIAULYVJDKIS-QGZVFWFLSA-N 2 1 326.488 3.503 20 0 EHADMP COc1ccc(-c2nc(C[NH2+]CCCn3cc[nH+]c3C)cs2)cc1 ZINC000613266569 1035482484 /nfs/dbraw/zinc/48/24/84/1035482484.db2.gz JTKPSRJWHIWEJU-UHFFFAOYSA-N 2 1 342.468 3.504 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc2)c1 ZINC000540606587 1035496872 /nfs/dbraw/zinc/49/68/72/1035496872.db2.gz IXWBTMVGXNHVAN-JOCHJYFZSA-N 2 1 336.479 3.831 20 0 EHADMP Cc1ccncc1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000571488325 1035506115 /nfs/dbraw/zinc/50/61/15/1035506115.db2.gz LJTPOSOODJGSIP-GOTSBHOMSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571488325 1035506124 /nfs/dbraw/zinc/50/61/24/1035506124.db2.gz LJTPOSOODJGSIP-GOTSBHOMSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571488325 1035506130 /nfs/dbraw/zinc/50/61/30/1035506130.db2.gz LJTPOSOODJGSIP-GOTSBHOMSA-N 2 1 349.522 3.777 20 0 EHADMP Fc1cccc(CC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1F ZINC000414136604 1035714397 /nfs/dbraw/zinc/71/43/97/1035714397.db2.gz DFRMLHRBYCLTQQ-UHFFFAOYSA-N 2 1 334.454 3.846 20 0 EHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C/c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000588177541 1035800136 /nfs/dbraw/zinc/80/01/36/1035800136.db2.gz ANJYWMZVERTFDW-ZRGXPQFDSA-N 2 1 349.522 3.668 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000540962320 1035839856 /nfs/dbraw/zinc/83/98/56/1035839856.db2.gz DYBWUDRLFBPQQB-YFVAEKQCSA-N 2 1 336.479 3.929 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000540962320 1035839865 /nfs/dbraw/zinc/83/98/65/1035839865.db2.gz DYBWUDRLFBPQQB-YFVAEKQCSA-N 2 1 336.479 3.929 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171282 1035876440 /nfs/dbraw/zinc/87/64/40/1035876440.db2.gz DBXMHRUHRNVYLF-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414175426 1035900364 /nfs/dbraw/zinc/90/03/64/1035900364.db2.gz IFRWMFDGQSYHHI-DLBZAZTESA-N 2 1 346.519 3.599 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000414177601 1035914426 /nfs/dbraw/zinc/91/44/26/1035914426.db2.gz JXBWTOLJRVTSCU-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000588770584 1036014886 /nfs/dbraw/zinc/01/48/86/1036014886.db2.gz QIHQSHGPVWKSNF-LJQANCHMSA-N 2 1 346.519 3.524 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000572253500 1036031777 /nfs/dbraw/zinc/03/17/77/1036031777.db2.gz XVETYDJSMZRXIK-IEBWSBKVSA-N 2 1 339.483 3.589 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000414207842 1036073682 /nfs/dbraw/zinc/07/36/82/1036073682.db2.gz KKLAXMKVBVVYPZ-WJMWBRGCSA-N 2 1 330.516 3.692 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)o1 ZINC000892569756 1036178110 /nfs/dbraw/zinc/17/81/10/1036178110.db2.gz BXHDBKWPOKNKDZ-MRXNPFEDSA-N 2 1 328.456 3.952 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)o1 ZINC000892569756 1036178119 /nfs/dbraw/zinc/17/81/19/1036178119.db2.gz BXHDBKWPOKNKDZ-MRXNPFEDSA-N 2 1 328.456 3.952 20 0 EHADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2csc(C(F)(F)F)n2)C1 ZINC000892584518 1036303354 /nfs/dbraw/zinc/30/33/54/1036303354.db2.gz LPWGCGPJUXIKJM-LBPRGKRZSA-N 2 1 335.439 3.764 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2csc(C(F)(F)F)n2)C1 ZINC000892584518 1036303368 /nfs/dbraw/zinc/30/33/68/1036303368.db2.gz LPWGCGPJUXIKJM-LBPRGKRZSA-N 2 1 335.439 3.764 20 0 EHADMP c1ccc(COC2CC3(C2)C[NH+](C2CC[NH+](CC4CC4)CC2)C3)cc1 ZINC001168387884 1036308896 /nfs/dbraw/zinc/30/88/96/1036308896.db2.gz XKGBMIQPEPAIPK-UHFFFAOYSA-N 2 1 340.511 3.542 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000191475981 1036388261 /nfs/dbraw/zinc/38/82/61/1036388261.db2.gz XXBYMGVHCBHNMC-JOCHJYFZSA-N 2 1 343.559 3.672 20 0 EHADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191464126 1036388492 /nfs/dbraw/zinc/38/84/92/1036388492.db2.gz AMVXONHDTGCGDL-IBGZPJMESA-N 2 1 339.483 3.664 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000191510479 1036396856 /nfs/dbraw/zinc/39/68/56/1036396856.db2.gz XIODJFKBCFAOSN-UHFFFAOYSA-N 2 1 347.547 3.830 20 0 EHADMP CC[N@H+](CCCc1c[nH+]cn1C)CCc1ccc(C(F)(F)F)cc1 ZINC000572852984 1036536552 /nfs/dbraw/zinc/53/65/52/1036536552.db2.gz UIKFBPYUSAETQL-UHFFFAOYSA-N 2 1 339.405 3.936 20 0 EHADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCc1ccc(C(F)(F)F)cc1 ZINC000572852984 1036536565 /nfs/dbraw/zinc/53/65/65/1036536565.db2.gz UIKFBPYUSAETQL-UHFFFAOYSA-N 2 1 339.405 3.936 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193078360 1036577999 /nfs/dbraw/zinc/57/79/99/1036577999.db2.gz ZEVCNQWDNXYAHE-UHFFFAOYSA-N 2 1 343.515 3.556 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC(C)(C)C[C@@H]3C)CC2)oc1C ZINC000193134227 1036588496 /nfs/dbraw/zinc/58/84/96/1036588496.db2.gz RIQQZTNQMSKLAK-KSSFIOAISA-N 2 1 333.520 3.918 20 0 EHADMP COC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000161628178 1036620993 /nfs/dbraw/zinc/62/09/93/1036620993.db2.gz BCAOXCBZXDCVPQ-BBWFWOEESA-N 2 1 342.405 3.609 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC000295459661 1036635101 /nfs/dbraw/zinc/63/51/01/1036635101.db2.gz FLQATVANHAGZLY-YEJSDXFRSA-N 2 1 329.307 3.786 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC000295459661 1036635109 /nfs/dbraw/zinc/63/51/09/1036635109.db2.gz FLQATVANHAGZLY-YEJSDXFRSA-N 2 1 329.307 3.786 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000472588756 1036715195 /nfs/dbraw/zinc/71/51/95/1036715195.db2.gz GGBMXGSEIRFSMD-WOJBJXKFSA-N 2 1 330.516 3.824 20 0 EHADMP COc1ccc(C[C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC000472588756 1036715212 /nfs/dbraw/zinc/71/52/12/1036715212.db2.gz GGBMXGSEIRFSMD-WOJBJXKFSA-N 2 1 330.516 3.824 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000539506411 1036827444 /nfs/dbraw/zinc/82/74/44/1036827444.db2.gz FEMIHAOMFVCQMV-MLGOLLRUSA-N 2 1 335.289 3.849 20 0 EHADMP C[C@H](CCc1ccccc1)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539530653 1036888764 /nfs/dbraw/zinc/88/87/64/1036888764.db2.gz LJVGWEFCTFQONN-HXUWFJFHSA-N 2 1 344.543 3.880 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000647532543 1036934449 /nfs/dbraw/zinc/93/44/49/1036934449.db2.gz BABSSQSMPMFSCA-CTNGQTDRSA-N 2 1 348.494 3.506 20 0 EHADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786292 1037051990 /nfs/dbraw/zinc/05/19/90/1037051990.db2.gz NFLVSKBRJKUPOV-GOSISDBHSA-N 2 1 345.531 3.683 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000375643387 1037229140 /nfs/dbraw/zinc/22/91/40/1037229140.db2.gz VGUSWYPTOIKSLX-HKBOAZHASA-N 2 1 330.516 3.692 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850099 1037278575 /nfs/dbraw/zinc/27/85/75/1037278575.db2.gz BRQGLRVONKOJNW-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850099 1037278590 /nfs/dbraw/zinc/27/85/90/1037278590.db2.gz BRQGLRVONKOJNW-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850099 1037278605 /nfs/dbraw/zinc/27/86/05/1037278605.db2.gz BRQGLRVONKOJNW-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539850099 1037278619 /nfs/dbraw/zinc/27/86/19/1037278619.db2.gz BRQGLRVONKOJNW-MRXNPFEDSA-N 2 1 342.405 3.749 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1N(C)C ZINC000539854507 1037295739 /nfs/dbraw/zinc/29/57/39/1037295739.db2.gz HDMJHNIWZRZJTF-GOSISDBHSA-N 2 1 337.511 3.852 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1N(C)C ZINC000539854507 1037295752 /nfs/dbraw/zinc/29/57/52/1037295752.db2.gz HDMJHNIWZRZJTF-GOSISDBHSA-N 2 1 337.511 3.852 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539898885 1037337306 /nfs/dbraw/zinc/33/73/06/1037337306.db2.gz JHGYVOCHGPJPSU-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539898885 1037337325 /nfs/dbraw/zinc/33/73/25/1037337325.db2.gz JHGYVOCHGPJPSU-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539898885 1037337345 /nfs/dbraw/zinc/33/73/45/1037337345.db2.gz JHGYVOCHGPJPSU-NQIIRXRSSA-N 2 1 328.500 3.924 20 0 EHADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000463024874 1037656417 /nfs/dbraw/zinc/65/64/17/1037656417.db2.gz QWPAXLHWJKNWNH-PWRODBHTSA-N 2 1 344.543 3.733 20 0 EHADMP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000415935723 1037678744 /nfs/dbraw/zinc/67/87/44/1037678744.db2.gz RYQFYSMJYMEBLD-QGZVFWFLSA-N 2 1 346.519 3.572 20 0 EHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463081803 1037732861 /nfs/dbraw/zinc/73/28/61/1037732861.db2.gz GELLZGMQZXQCEZ-OTWHNJEPSA-N 2 1 329.532 3.611 20 0 EHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463081803 1037732878 /nfs/dbraw/zinc/73/28/78/1037732878.db2.gz GELLZGMQZXQCEZ-OTWHNJEPSA-N 2 1 329.532 3.611 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463074059 1037738288 /nfs/dbraw/zinc/73/82/88/1037738288.db2.gz OIOARVYCOIAIJT-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463074059 1037738309 /nfs/dbraw/zinc/73/83/09/1037738309.db2.gz OIOARVYCOIAIJT-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463074059 1037738333 /nfs/dbraw/zinc/73/83/33/1037738333.db2.gz OIOARVYCOIAIJT-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463250663 1037939480 /nfs/dbraw/zinc/93/94/80/1037939480.db2.gz NITCXCYERHAGFI-JSFXGIFRSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463274136 1037981559 /nfs/dbraw/zinc/98/15/59/1037981559.db2.gz DBLYZDRHUWKINI-RZUBCFFCSA-N 2 1 343.559 3.894 20 0 EHADMP CC(C)COc1cccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000540505004 1038024429 /nfs/dbraw/zinc/02/44/29/1038024429.db2.gz UMCOBVOYRTZUHM-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000540505004 1038024452 /nfs/dbraw/zinc/02/44/52/1038024452.db2.gz UMCOBVOYRTZUHM-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000540505004 1038024472 /nfs/dbraw/zinc/02/44/72/1038024472.db2.gz UMCOBVOYRTZUHM-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000540505004 1038024490 /nfs/dbraw/zinc/02/44/90/1038024490.db2.gz UMCOBVOYRTZUHM-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP CC(C)COc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000540505004 1038024511 /nfs/dbraw/zinc/02/45/11/1038024511.db2.gz UMCOBVOYRTZUHM-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1OC(F)F ZINC000124894079 1038249057 /nfs/dbraw/zinc/24/90/57/1038249057.db2.gz SJKRWWZQRFPSAR-UHFFFAOYSA-N 2 1 342.430 3.604 20 0 EHADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1OC(F)F ZINC000124894079 1038249075 /nfs/dbraw/zinc/24/90/75/1038249075.db2.gz SJKRWWZQRFPSAR-UHFFFAOYSA-N 2 1 342.430 3.604 20 0 EHADMP c1ccc2oc([C@@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)nc2c1 ZINC000124902695 1038251752 /nfs/dbraw/zinc/25/17/52/1038251752.db2.gz QPPOQFUDYVEUQX-QGZVFWFLSA-N 2 1 327.472 3.883 20 0 EHADMP c1ccc2oc([C@@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)nc2c1 ZINC000124902695 1038251768 /nfs/dbraw/zinc/25/17/68/1038251768.db2.gz QPPOQFUDYVEUQX-QGZVFWFLSA-N 2 1 327.472 3.883 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COCc5ccccc54)[C@@H]3C2)cc1 ZINC000388726918 1038464399 /nfs/dbraw/zinc/46/43/99/1038464399.db2.gz JQOHUMLKMMXNND-AWDZXFJFSA-N 2 1 348.490 3.758 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COCc5ccccc54)[C@@H]3C2)cc1 ZINC000388726918 1038464407 /nfs/dbraw/zinc/46/44/07/1038464407.db2.gz JQOHUMLKMMXNND-AWDZXFJFSA-N 2 1 348.490 3.758 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752213 1038516848 /nfs/dbraw/zinc/51/68/48/1038516848.db2.gz QEAOUJBLFHGQKZ-IBGZPJMESA-N 2 1 342.527 3.954 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752213 1038516855 /nfs/dbraw/zinc/51/68/55/1038516855.db2.gz QEAOUJBLFHGQKZ-IBGZPJMESA-N 2 1 342.527 3.954 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752213 1038516863 /nfs/dbraw/zinc/51/68/63/1038516863.db2.gz QEAOUJBLFHGQKZ-IBGZPJMESA-N 2 1 342.527 3.954 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000538752213 1038516871 /nfs/dbraw/zinc/51/68/71/1038516871.db2.gz QEAOUJBLFHGQKZ-IBGZPJMESA-N 2 1 342.527 3.954 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn3ccccc3n2)CC1)CC1CC1 ZINC000538947800 1038609555 /nfs/dbraw/zinc/60/95/55/1038609555.db2.gz CXSZYLMRJPKVFA-UHFFFAOYSA-N 2 1 340.515 3.668 20 0 EHADMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C)n1 ZINC000659993559 1038647379 /nfs/dbraw/zinc/64/73/79/1038647379.db2.gz PIJIRIRCHZZBFL-DYESRHJHSA-N 2 1 338.499 3.578 20 0 EHADMP CN(C)c1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000461886211 1038648479 /nfs/dbraw/zinc/64/84/79/1038648479.db2.gz WETZBCDOADBQFW-UHFFFAOYSA-N 2 1 337.511 3.549 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000539040392 1038649090 /nfs/dbraw/zinc/64/90/90/1038649090.db2.gz AEOWZIMERWGHBJ-IFMALSPDSA-N 2 1 346.559 3.881 20 0 EHADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000539042048 1038649574 /nfs/dbraw/zinc/64/95/74/1038649574.db2.gz BVPGONAFUHEOKC-HBFSDRIKSA-N 2 1 340.515 3.854 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049427 1038653670 /nfs/dbraw/zinc/65/36/70/1038653670.db2.gz IQGXGBJTKOMLSD-IAQYHMDHSA-N 2 1 345.712 3.575 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3N(C)C)CC2)C1 ZINC000539070166 1038670286 /nfs/dbraw/zinc/67/02/86/1038670286.db2.gz HOXINABUHWYVOG-XLIONFOSSA-N 2 1 329.532 3.885 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539094031 1038680171 /nfs/dbraw/zinc/68/01/71/1038680171.db2.gz SLCMGQQQYQWANZ-CTNGQTDRSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539094031 1038680177 /nfs/dbraw/zinc/68/01/77/1038680177.db2.gz SLCMGQQQYQWANZ-CTNGQTDRSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc(C)n1 ZINC000660006379 1038686457 /nfs/dbraw/zinc/68/64/57/1038686457.db2.gz MLJUBIABNJFGNQ-QGZVFWFLSA-N 2 1 330.520 3.570 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924689807 1038754292 /nfs/dbraw/zinc/75/42/92/1038754292.db2.gz ZCFVNUBFYDNFJR-SFHLNBCPSA-N 2 1 329.532 3.895 20 0 EHADMP C[C@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479871664 1038817853 /nfs/dbraw/zinc/81/78/53/1038817853.db2.gz FTOIQFCHUOFBNZ-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000479917251 1038894879 /nfs/dbraw/zinc/89/48/79/1038894879.db2.gz ZNUPWNCJEMVYCH-IRXDYDNUSA-N 2 1 334.504 3.927 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000479918779 1038900264 /nfs/dbraw/zinc/90/02/64/1038900264.db2.gz XMOYYKFZOIMFOZ-URVUXULASA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000479918779 1038900273 /nfs/dbraw/zinc/90/02/73/1038900273.db2.gz XMOYYKFZOIMFOZ-URVUXULASA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000479918779 1038900289 /nfs/dbraw/zinc/90/02/89/1038900289.db2.gz XMOYYKFZOIMFOZ-URVUXULASA-N 2 1 343.559 3.751 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC(F)F)cc1C ZINC000093089266 1039014859 /nfs/dbraw/zinc/01/48/59/1039014859.db2.gz KHVWJYKFXJXXFZ-UHFFFAOYSA-N 2 1 326.431 3.678 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000488268851 1039024558 /nfs/dbraw/zinc/02/45/58/1039024558.db2.gz PNMSGNKUWMJREV-MRXNPFEDSA-N 2 1 349.494 3.515 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@H+](C2CCCC2)CC1 ZINC000480011485 1039031737 /nfs/dbraw/zinc/03/17/37/1039031737.db2.gz IJVMWVXSYUOVHL-UHFFFAOYSA-N 2 1 343.446 3.837 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000552248389 1039089662 /nfs/dbraw/zinc/08/96/62/1039089662.db2.gz FKKROQPWYKHPDK-XIRDDKMYSA-N 2 1 326.406 3.710 20 0 EHADMP COCCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000552322143 1039175506 /nfs/dbraw/zinc/17/55/06/1039175506.db2.gz DWGDZOKYFZACLM-WDYCEAGBSA-N 2 1 338.923 3.780 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000488434766 1039176869 /nfs/dbraw/zinc/17/68/69/1039176869.db2.gz MVWOWPNTVOCUBD-INIZCTEOSA-N 2 1 349.494 3.515 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000236828397 1039262677 /nfs/dbraw/zinc/26/26/77/1039262677.db2.gz LFDIXXCLLNCQBB-UHFFFAOYSA-N 2 1 340.471 3.655 20 0 EHADMP COC[C@H](NCCC[N@@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000480175863 1039265127 /nfs/dbraw/zinc/26/51/27/1039265127.db2.gz CWCNMFAEEAZQRP-INIZCTEOSA-N 2 1 332.410 3.713 20 0 EHADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000567286719 1039319310 /nfs/dbraw/zinc/31/93/10/1039319310.db2.gz TWGYUKJTMQFNST-RBUKOAKNSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000567286719 1039319331 /nfs/dbraw/zinc/31/93/31/1039319331.db2.gz TWGYUKJTMQFNST-RBUKOAKNSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000567286719 1039319345 /nfs/dbraw/zinc/31/93/45/1039319345.db2.gz TWGYUKJTMQFNST-RBUKOAKNSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000567286719 1039319350 /nfs/dbraw/zinc/31/93/50/1039319350.db2.gz TWGYUKJTMQFNST-RBUKOAKNSA-N 2 1 341.524 3.714 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000237342025 1039345226 /nfs/dbraw/zinc/34/52/26/1039345226.db2.gz IYWAKUYJCMJYEZ-QGZVFWFLSA-N 2 1 331.504 3.909 20 0 EHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000237364293 1039350789 /nfs/dbraw/zinc/35/07/89/1039350789.db2.gz OGERHJFDQHLXLF-QAPCUYQASA-N 2 1 328.456 3.633 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000480282357 1039393079 /nfs/dbraw/zinc/39/30/79/1039393079.db2.gz YWSMEDROXNHIQQ-MRXNPFEDSA-N 2 1 338.451 3.514 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000480282357 1039393096 /nfs/dbraw/zinc/39/30/96/1039393096.db2.gz YWSMEDROXNHIQQ-MRXNPFEDSA-N 2 1 338.451 3.514 20 0 EHADMP CCOC1CC(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1 ZINC000567356441 1039462251 /nfs/dbraw/zinc/46/22/51/1039462251.db2.gz LISOJNIBMICDRU-AOCRQIFASA-N 2 1 336.545 3.625 20 0 EHADMP CCOC1CC(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC000567356441 1039462257 /nfs/dbraw/zinc/46/22/57/1039462257.db2.gz LISOJNIBMICDRU-AOCRQIFASA-N 2 1 336.545 3.625 20 0 EHADMP CCOC1CC(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1 ZINC000567356441 1039462262 /nfs/dbraw/zinc/46/22/62/1039462262.db2.gz LISOJNIBMICDRU-AOCRQIFASA-N 2 1 336.545 3.625 20 0 EHADMP C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000478534614 1039522305 /nfs/dbraw/zinc/52/23/05/1039522305.db2.gz KXFQFJSCCXGEAK-HXUWFJFHSA-N 2 1 342.458 3.979 20 0 EHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000552779008 1039522672 /nfs/dbraw/zinc/52/26/72/1039522672.db2.gz BXESHVHGLOVKHX-CRAIPNDOSA-N 2 1 347.503 3.527 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000480692835 1039896008 /nfs/dbraw/zinc/89/60/08/1039896008.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000480692835 1039896027 /nfs/dbraw/zinc/89/60/27/1039896027.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000480692835 1039896048 /nfs/dbraw/zinc/89/60/48/1039896048.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000480692835 1039896073 /nfs/dbraw/zinc/89/60/73/1039896073.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000480692835 1039896095 /nfs/dbraw/zinc/89/60/95/1039896095.db2.gz AOHZJELJHJBZIL-WEMPKCCASA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000480719007 1039944408 /nfs/dbraw/zinc/94/44/08/1039944408.db2.gz WXPNFQMTOAMNIM-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633960 1040113325 /nfs/dbraw/zinc/11/33/25/1040113325.db2.gz SLQZFPRNGAYJRN-YUTCNCBUSA-N 2 1 341.268 3.866 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633960 1040113335 /nfs/dbraw/zinc/11/33/35/1040113335.db2.gz SLQZFPRNGAYJRN-YUTCNCBUSA-N 2 1 341.268 3.866 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000486550799 1040249969 /nfs/dbraw/zinc/24/99/69/1040249969.db2.gz QVVNIBAGLQVEST-FKVLARQCSA-N 2 1 344.543 3.938 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465773 1040264932 /nfs/dbraw/zinc/26/49/32/1040264932.db2.gz PUAGHQDSKBMMAO-HKUYNNGSSA-N 2 1 336.479 3.890 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512614583 1040277178 /nfs/dbraw/zinc/27/71/78/1040277178.db2.gz WMQSQOATJHCDHG-YESZJQIVSA-N 2 1 326.406 3.829 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000481025633 1040286234 /nfs/dbraw/zinc/28/62/34/1040286234.db2.gz QUABVFDDYWWQQB-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000479554525 1040370886 /nfs/dbraw/zinc/37/08/86/1040370886.db2.gz MCOCOJKKEUCPOP-XSDIEEQYSA-N 2 1 344.543 3.959 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000569591490 1040521806 /nfs/dbraw/zinc/52/18/06/1040521806.db2.gz BXSDICMIRUCHCF-CYBMUJFWSA-N 2 1 340.309 3.615 20 0 EHADMP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000433051820 1040567252 /nfs/dbraw/zinc/56/72/52/1040567252.db2.gz IZOKHISGHBIKLJ-YLJYHZDGSA-N 2 1 329.532 3.837 20 0 EHADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713021 1040585699 /nfs/dbraw/zinc/58/56/99/1040585699.db2.gz FWASVUHERPJICQ-QRQLOZEOSA-N 2 1 330.541 3.630 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cn(C)cn1 ZINC000924871544 1040686549 /nfs/dbraw/zinc/68/65/49/1040686549.db2.gz XZGDCCGSEJVSON-QGZVFWFLSA-N 2 1 326.488 3.647 20 0 EHADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165155 1040773656 /nfs/dbraw/zinc/77/36/56/1040773656.db2.gz FZUXHLZKSNKJDS-ROUUACIJSA-N 2 1 332.488 3.532 20 0 EHADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165155 1040773687 /nfs/dbraw/zinc/77/36/87/1040773687.db2.gz FZUXHLZKSNKJDS-ROUUACIJSA-N 2 1 332.488 3.532 20 0 EHADMP C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963867 1040844809 /nfs/dbraw/zinc/84/48/09/1040844809.db2.gz ZUCQNTXVOMCXMQ-UEKLYDJUSA-N 2 1 349.607 3.797 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000481398798 1040846568 /nfs/dbraw/zinc/84/65/68/1040846568.db2.gz FNWUJAWDJRVAAW-FPOVZHCZSA-N 2 1 332.532 3.573 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000481415383 1040875981 /nfs/dbraw/zinc/87/59/81/1040875981.db2.gz NZFOERGMQKOAJW-GOSISDBHSA-N 2 1 344.524 3.979 20 0 EHADMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555615825 1040923762 /nfs/dbraw/zinc/92/37/62/1040923762.db2.gz CXDUPRSUWNKBBV-TZIWHRDSSA-N 2 1 344.543 3.939 20 0 EHADMP Cc1ccc2ccnc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2c1 ZINC000567748778 1041078111 /nfs/dbraw/zinc/07/81/11/1041078111.db2.gz JIZUFMCMGCDILO-FQEVSTJZSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000567748778 1041078130 /nfs/dbraw/zinc/07/81/30/1041078130.db2.gz JIZUFMCMGCDILO-FQEVSTJZSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2c1 ZINC000567748778 1041078148 /nfs/dbraw/zinc/07/81/48/1041078148.db2.gz JIZUFMCMGCDILO-FQEVSTJZSA-N 2 1 347.462 3.722 20 0 EHADMP CC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000390609024 1041119067 /nfs/dbraw/zinc/11/90/67/1041119067.db2.gz WKLMSEDJYMLSNM-QNXAMLQOSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001212145182 1041145402 /nfs/dbraw/zinc/14/54/02/1041145402.db2.gz MZYMUURPKZOJGA-KRWDZBQOSA-N 2 1 346.475 3.692 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759861918 1041222996 /nfs/dbraw/zinc/22/29/96/1041222996.db2.gz IKTIYVJLXOYFRN-GOSISDBHSA-N 2 1 342.886 3.565 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000571292712 1041259309 /nfs/dbraw/zinc/25/93/09/1041259309.db2.gz QYNWENUSGLVBII-SBHAEUEKSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571292712 1041259323 /nfs/dbraw/zinc/25/93/23/1041259323.db2.gz QYNWENUSGLVBII-SBHAEUEKSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571292712 1041259334 /nfs/dbraw/zinc/25/93/34/1041259334.db2.gz QYNWENUSGLVBII-SBHAEUEKSA-N 2 1 331.548 3.750 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccc(N)c3)C2)s1 ZINC000660496699 1041576175 /nfs/dbraw/zinc/57/61/75/1041576175.db2.gz JPRQONRYEHBHBG-KRWDZBQOSA-N 2 1 329.513 3.593 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccc(N)c3)C2)s1 ZINC000660496699 1041576177 /nfs/dbraw/zinc/57/61/77/1041576177.db2.gz JPRQONRYEHBHBG-KRWDZBQOSA-N 2 1 329.513 3.593 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccc(N)c3)C2)s1 ZINC000660496699 1041576180 /nfs/dbraw/zinc/57/61/80/1041576180.db2.gz JPRQONRYEHBHBG-KRWDZBQOSA-N 2 1 329.513 3.593 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC(C)(C)C1 ZINC000511769997 1041587805 /nfs/dbraw/zinc/58/78/05/1041587805.db2.gz NRCYIKARRRAVEN-PXNSSMCTSA-N 2 1 330.516 3.823 20 0 EHADMP C[N@@H+](Cc1cc2cnccc2o1)C1CCN(Cc2ccccc2)CC1 ZINC000651633347 1041816566 /nfs/dbraw/zinc/81/65/66/1041816566.db2.gz NXOHERPPTBOYAR-UHFFFAOYSA-N 2 1 335.451 3.924 20 0 EHADMP CN(Cc1cc2cnccc2o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000651633347 1041816571 /nfs/dbraw/zinc/81/65/71/1041816571.db2.gz NXOHERPPTBOYAR-UHFFFAOYSA-N 2 1 335.451 3.924 20 0 EHADMP c1c2cnccc2oc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000651805538 1042059252 /nfs/dbraw/zinc/05/92/52/1042059252.db2.gz URDVGOUUGRSDSB-JOCHJYFZSA-N 2 1 347.462 3.926 20 0 EHADMP c1c2cnccc2oc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000651805538 1042059259 /nfs/dbraw/zinc/05/92/59/1042059259.db2.gz URDVGOUUGRSDSB-JOCHJYFZSA-N 2 1 347.462 3.926 20 0 EHADMP c1c2cnccc2oc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651805538 1042059265 /nfs/dbraw/zinc/05/92/65/1042059265.db2.gz URDVGOUUGRSDSB-JOCHJYFZSA-N 2 1 347.462 3.926 20 0 EHADMP c1c2cnccc2oc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651805538 1042059272 /nfs/dbraw/zinc/05/92/72/1042059272.db2.gz URDVGOUUGRSDSB-JOCHJYFZSA-N 2 1 347.462 3.926 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000652341387 1042397508 /nfs/dbraw/zinc/39/75/08/1042397508.db2.gz LRLOVJAXRXOVSF-MRXNPFEDSA-N 2 1 326.406 3.743 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248563462 1042527031 /nfs/dbraw/zinc/52/70/31/1042527031.db2.gz KAMXEVIALVBOND-FCEUIQTBSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248563462 1042527036 /nfs/dbraw/zinc/52/70/36/1042527036.db2.gz KAMXEVIALVBOND-FCEUIQTBSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248563462 1042527039 /nfs/dbraw/zinc/52/70/39/1042527039.db2.gz KAMXEVIALVBOND-FCEUIQTBSA-N 2 1 344.543 3.567 20 0 EHADMP CCOC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000248881338 1042529294 /nfs/dbraw/zinc/52/92/94/1042529294.db2.gz KWCQGYYYBXGLHS-MXEMCNAFSA-N 2 1 330.516 3.833 20 0 EHADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000662129901 1042538990 /nfs/dbraw/zinc/53/89/90/1042538990.db2.gz NMOKLXZGNQHFHN-KRIYCRJKSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250632 1042634989 /nfs/dbraw/zinc/63/49/89/1042634989.db2.gz KHTPYVIUTLWATK-DGCLKSJQSA-N 2 1 329.271 3.507 20 0 EHADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662273259 1042650496 /nfs/dbraw/zinc/65/04/96/1042650496.db2.gz KWUSOZCLPXNUBI-ZIAGYGMSSA-N 2 1 342.405 3.639 20 0 EHADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292521 1042663297 /nfs/dbraw/zinc/66/32/97/1042663297.db2.gz FUVXTDKEKWRUIS-OAHLLOKOSA-N 2 1 348.441 3.643 20 0 EHADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662303655 1042671427 /nfs/dbraw/zinc/67/14/27/1042671427.db2.gz AEARKGULEGAMGY-RLAPIPATSA-N 2 1 348.490 3.907 20 0 EHADMP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000161624012 1042674195 /nfs/dbraw/zinc/67/41/95/1042674195.db2.gz FOYROGGEXDHHTG-WOJBJXKFSA-N 2 1 347.934 3.521 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1F ZINC000662307279 1042675027 /nfs/dbraw/zinc/67/50/27/1042675027.db2.gz YQGRJCUOGZXHDD-HXUWFJFHSA-N 2 1 340.442 3.817 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CCO1 ZINC000662319685 1042683845 /nfs/dbraw/zinc/68/38/45/1042683845.db2.gz AHEQMPKYZIPUBA-QGZVFWFLSA-N 2 1 336.479 3.799 20 0 EHADMP Cc1ccc2ccccc2c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321770 1042684793 /nfs/dbraw/zinc/68/47/93/1042684793.db2.gz PIQQTLAZHWWYOB-LJQANCHMSA-N 2 1 326.484 3.691 20 0 EHADMP Brc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663347023 1042732599 /nfs/dbraw/zinc/73/25/99/1042732599.db2.gz FSKSMOOISMZQDS-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663347023 1042732603 /nfs/dbraw/zinc/73/26/03/1042732603.db2.gz FSKSMOOISMZQDS-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663346671 1042733579 /nfs/dbraw/zinc/73/35/79/1042733579.db2.gz CKVQEUGLSMVSHJ-GOSISDBHSA-N 2 1 338.499 3.597 20 0 EHADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165338129 1042779950 /nfs/dbraw/zinc/77/99/50/1042779950.db2.gz HRIIOMSASJDHCS-QUCCMNQESA-N 2 1 340.515 3.679 20 0 EHADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165338129 1042779955 /nfs/dbraw/zinc/77/99/55/1042779955.db2.gz HRIIOMSASJDHCS-QUCCMNQESA-N 2 1 340.515 3.679 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464173 1042885617 /nfs/dbraw/zinc/88/56/17/1042885617.db2.gz DBZOHAMBXAZEBP-AEFFLSMTSA-N 2 1 330.520 3.771 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464173 1042885622 /nfs/dbraw/zinc/88/56/22/1042885622.db2.gz DBZOHAMBXAZEBP-AEFFLSMTSA-N 2 1 330.520 3.771 20 0 EHADMP CC1(C)C[C@@]1(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000663477465 1042910762 /nfs/dbraw/zinc/91/07/62/1042910762.db2.gz ROKKZWNXNFXCEJ-RBBKRZOGSA-N 2 1 342.527 3.587 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001167826122 1042957914 /nfs/dbraw/zinc/95/79/14/1042957914.db2.gz MNSWCESYYFCMSA-UXHICEINSA-N 2 1 331.548 3.703 20 0 EHADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278928255 1042973501 /nfs/dbraw/zinc/97/35/01/1042973501.db2.gz ISXRWBLWKTXATP-ZIAGYGMSSA-N 2 1 325.412 3.551 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001167836211 1043042504 /nfs/dbraw/zinc/04/25/04/1043042504.db2.gz XRJWTFHSZWKMOW-MOPGFXCFSA-N 2 1 333.520 3.744 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001167836214 1043042775 /nfs/dbraw/zinc/04/27/75/1043042775.db2.gz XRJWTFHSZWKMOW-RTBURBONSA-N 2 1 333.520 3.744 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432410813 1043111795 /nfs/dbraw/zinc/11/17/95/1043111795.db2.gz RYEDLSLCPIQQFN-FPOVZHCZSA-N 2 1 332.532 3.653 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432410813 1043111803 /nfs/dbraw/zinc/11/18/03/1043111803.db2.gz RYEDLSLCPIQQFN-FPOVZHCZSA-N 2 1 332.532 3.653 20 0 EHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432417081 1043141599 /nfs/dbraw/zinc/14/15/99/1043141599.db2.gz KGGPORKTMIERIZ-QUCCMNQESA-N 2 1 346.515 3.608 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CCCO1 ZINC000432418653 1043144124 /nfs/dbraw/zinc/14/41/24/1043144124.db2.gz UGPLFOPMXOKCQA-GIVPXCGWSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CCCO1 ZINC000432418653 1043144127 /nfs/dbraw/zinc/14/41/27/1043144127.db2.gz UGPLFOPMXOKCQA-GIVPXCGWSA-N 2 1 330.516 3.587 20 0 EHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418091 1043151481 /nfs/dbraw/zinc/15/14/81/1043151481.db2.gz PWTYTKXMPHOGMQ-JXFKEZNVSA-N 2 1 346.515 3.508 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424491 1043165065 /nfs/dbraw/zinc/16/50/65/1043165065.db2.gz JBHNJEDUFANWRF-DYESRHJHSA-N 2 1 346.490 3.852 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCO1 ZINC000432424491 1043165070 /nfs/dbraw/zinc/16/50/70/1043165070.db2.gz JBHNJEDUFANWRF-DYESRHJHSA-N 2 1 346.490 3.852 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)[C@H](C)c1nc2ccccc2s1 ZINC000279004233 1043180949 /nfs/dbraw/zinc/18/09/49/1043180949.db2.gz RWOPLCNISDZCHX-KKUMJFAQSA-N 2 1 340.496 3.837 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000344065328 1043199056 /nfs/dbraw/zinc/19/90/56/1043199056.db2.gz OVFOWZUMQIVWOC-QGZVFWFLSA-N 2 1 349.482 3.544 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000122843382 1044523890 /nfs/dbraw/zinc/52/38/90/1044523890.db2.gz LOTRXLDMCPFXJQ-GFCCVEGCSA-N 2 1 328.378 3.863 20 0 EHADMP Fc1ccc2c(NCC3([NH+]4CCOCC4)CCCCC3)cc[nH+]c2c1 ZINC000500455558 1044855208 /nfs/dbraw/zinc/85/52/08/1044855208.db2.gz HFMCKMJOERPUBE-UHFFFAOYSA-N 2 1 343.446 3.821 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000414228970 1125621642 /nfs/dbraw/zinc/62/16/42/1125621642.db2.gz YWVWHMOWPCPGEB-NMIHRBCNSA-N 2 1 336.479 3.724 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000414228970 1125621646 /nfs/dbraw/zinc/62/16/46/1125621646.db2.gz YWVWHMOWPCPGEB-NMIHRBCNSA-N 2 1 336.479 3.724 20 0 EHADMP CCCCCCNC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687736 1125691265 /nfs/dbraw/zinc/69/12/65/1125691265.db2.gz NWKNUHZRTLUSQJ-INIZCTEOSA-N 2 1 342.487 3.528 20 0 EHADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000154351589 1125713776 /nfs/dbraw/zinc/71/37/76/1125713776.db2.gz DWDLEBUPNKYZAL-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP COc1ccc(C[C@@H](C)C[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000154380762 1125715622 /nfs/dbraw/zinc/71/56/22/1125715622.db2.gz YJABGUWGRRAYNN-QGZVFWFLSA-N 2 1 329.488 3.791 20 0 EHADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000154380762 1125715625 /nfs/dbraw/zinc/71/56/25/1125715625.db2.gz YJABGUWGRRAYNN-QGZVFWFLSA-N 2 1 329.488 3.791 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCCC(C)C ZINC000622854177 1126798697 /nfs/dbraw/zinc/79/86/97/1126798697.db2.gz VTFXUYVGCBRUNS-RTBURBONSA-N 2 1 346.515 3.837 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCCC(C)C ZINC000622854177 1126798700 /nfs/dbraw/zinc/79/87/00/1126798700.db2.gz VTFXUYVGCBRUNS-RTBURBONSA-N 2 1 346.515 3.837 20 0 EHADMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000192623745 1126924704 /nfs/dbraw/zinc/92/47/04/1126924704.db2.gz INFXXRNFCPHNDH-DLBZAZTESA-N 2 1 346.519 3.528 20 0 EHADMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000192623745 1126924706 /nfs/dbraw/zinc/92/47/06/1126924706.db2.gz INFXXRNFCPHNDH-DLBZAZTESA-N 2 1 346.519 3.528 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357807 1126928955 /nfs/dbraw/zinc/92/89/55/1126928955.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357807 1126928959 /nfs/dbraw/zinc/92/89/59/1126928959.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357807 1126928963 /nfs/dbraw/zinc/92/89/63/1126928963.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357807 1126928967 /nfs/dbraw/zinc/92/89/67/1126928967.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357807 1126928968 /nfs/dbraw/zinc/92/89/68/1126928968.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357807 1126928973 /nfs/dbraw/zinc/92/89/73/1126928973.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357807 1126928976 /nfs/dbraw/zinc/92/89/76/1126928976.db2.gz ATYREWNGGKKTKH-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623436186 1126955555 /nfs/dbraw/zinc/95/55/55/1126955555.db2.gz IFSGNCIBVFVCDS-AQNXPRMDSA-N 2 1 330.516 3.925 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(OCC(F)(F)F)c1 ZINC000623443578 1126957331 /nfs/dbraw/zinc/95/73/31/1126957331.db2.gz FWWOWXYAMRXETO-HNNXBMFYSA-N 2 1 344.421 3.899 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(OCC(F)(F)F)c1 ZINC000623443578 1126957333 /nfs/dbraw/zinc/95/73/33/1126957333.db2.gz FWWOWXYAMRXETO-HNNXBMFYSA-N 2 1 344.421 3.899 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447048 1126958026 /nfs/dbraw/zinc/95/80/26/1126958026.db2.gz BAJMPDJOSGFFSQ-DZGCQCFKSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000623471855 1126963036 /nfs/dbraw/zinc/96/30/36/1126963036.db2.gz WMVSDLXNCGICHX-HMXCVIKNSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471855 1126963041 /nfs/dbraw/zinc/96/30/41/1126963041.db2.gz WMVSDLXNCGICHX-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471855 1126963042 /nfs/dbraw/zinc/96/30/42/1126963042.db2.gz WMVSDLXNCGICHX-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCN(C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471855 1126963046 /nfs/dbraw/zinc/96/30/46/1126963046.db2.gz WMVSDLXNCGICHX-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCN(C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471855 1126963050 /nfs/dbraw/zinc/96/30/50/1126963050.db2.gz WMVSDLXNCGICHX-HMXCVIKNSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000178103244 1127008061 /nfs/dbraw/zinc/00/80/61/1127008061.db2.gz WARKNCKIABRMNE-UHFFFAOYSA-N 2 1 332.488 3.604 20 0 EHADMP Cc1cnc(Cl)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000921501146 1127054435 /nfs/dbraw/zinc/05/44/35/1127054435.db2.gz INEIQVKAULVGGG-UHFFFAOYSA-N 2 1 329.875 3.929 20 0 EHADMP Cc1csc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000623886380 1127210349 /nfs/dbraw/zinc/21/03/49/1127210349.db2.gz ZXZDRSQNFZPRPN-SJLPKXTDSA-N 2 1 329.513 3.667 20 0 EHADMP c1nc2c(s1)CCC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623974390 1127226385 /nfs/dbraw/zinc/22/63/85/1127226385.db2.gz DEEMAENWEIHYAP-SJORKVTESA-N 2 1 327.497 3.632 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000624018886 1127233813 /nfs/dbraw/zinc/23/38/13/1127233813.db2.gz ACSIWCNAABXKSA-HNNXBMFYSA-N 2 1 331.460 3.557 20 0 EHADMP CCOC(=O)C1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000181032828 1127265034 /nfs/dbraw/zinc/26/50/34/1127265034.db2.gz XZSKQZHSZHESFM-UHFFFAOYSA-N 2 1 346.515 3.738 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1nccn1C ZINC000182682186 1127342905 /nfs/dbraw/zinc/34/29/05/1127342905.db2.gz KVSMQIQQSGCVFE-QGZVFWFLSA-N 2 1 326.488 3.647 20 0 EHADMP Clc1ccc(O[C@@H]2CC[N@@H+](CCCn3ccnc3)C2)cc1Cl ZINC000182855708 1127350688 /nfs/dbraw/zinc/35/06/88/1127350688.db2.gz FKMPJYCLRSQNCT-CQSZACIVSA-N 2 1 340.254 3.733 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661532 1127429673 /nfs/dbraw/zinc/42/96/73/1127429673.db2.gz MLJUCXRXTAJLPC-OKZBNKHCSA-N 2 1 343.515 3.565 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661532 1127429675 /nfs/dbraw/zinc/42/96/75/1127429675.db2.gz MLJUCXRXTAJLPC-OKZBNKHCSA-N 2 1 343.515 3.565 20 0 EHADMP C[C@@H]([NH2+]CCCOCCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737065 1127430966 /nfs/dbraw/zinc/43/09/66/1127430966.db2.gz HWGCIUSKWVFQGC-CTNGQTDRSA-N 2 1 344.543 3.878 20 0 EHADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000381792233 1127492809 /nfs/dbraw/zinc/49/28/09/1127492809.db2.gz BBZGOIGWDRRGGK-WJFTUGDTSA-N 2 1 334.454 3.922 20 0 EHADMP C[C@@H]([NH2+]CCOCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381879326 1127495272 /nfs/dbraw/zinc/49/52/72/1127495272.db2.gz OGWSKSBCGTUAGI-KNQAVFIVSA-N 2 1 338.495 3.703 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000671752633 1128210415 /nfs/dbraw/zinc/21/04/15/1128210415.db2.gz WLVRYTJYFSJSKA-CIAFKFPVSA-N 2 1 344.543 3.818 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000066960585 1128230434 /nfs/dbraw/zinc/23/04/34/1128230434.db2.gz PQIFVRUCRUTJPH-OAHLLOKOSA-N 2 1 336.524 3.872 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000066960585 1128230437 /nfs/dbraw/zinc/23/04/37/1128230437.db2.gz PQIFVRUCRUTJPH-OAHLLOKOSA-N 2 1 336.524 3.872 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OCC(C)C ZINC000623654568 1128448486 /nfs/dbraw/zinc/44/84/86/1128448486.db2.gz CQQJDZFKJVMPPM-GOSISDBHSA-N 2 1 334.504 3.552 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000623656880 1128452143 /nfs/dbraw/zinc/45/21/43/1128452143.db2.gz DOEXVYZRMLGNRT-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000338686263 1128529520 /nfs/dbraw/zinc/52/95/20/1128529520.db2.gz DVVNTDNXBVMHCC-QGZVFWFLSA-N 2 1 337.305 3.900 20 0 EHADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc(C(F)(F)F)c3Cl)C[C@@H]2C1 ZINC001205037587 1128718915 /nfs/dbraw/zinc/71/89/15/1128718915.db2.gz UXDXRQLTWBPMBH-YPMHNXCESA-N 2 1 332.797 3.742 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnn1C1CCC1 ZINC000921816899 1128784608 /nfs/dbraw/zinc/78/46/08/1128784608.db2.gz QZNTUKALHLICPJ-UWJYYQICSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816899 1128784611 /nfs/dbraw/zinc/78/46/11/1128784611.db2.gz QZNTUKALHLICPJ-UWJYYQICSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816899 1128784614 /nfs/dbraw/zinc/78/46/14/1128784614.db2.gz QZNTUKALHLICPJ-UWJYYQICSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C1CCC1 ZINC000921816899 1128784617 /nfs/dbraw/zinc/78/46/17/1128784617.db2.gz QZNTUKALHLICPJ-UWJYYQICSA-N 2 1 338.499 3.608 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC000063520412 1128882602 /nfs/dbraw/zinc/88/26/02/1128882602.db2.gz DSIRDZHEDDQYAP-UHFFFAOYSA-N 2 1 332.513 3.781 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000109068313 1120019046 /nfs/dbraw/zinc/01/90/46/1120019046.db2.gz APLRCYVCDFLXBE-MRXNPFEDSA-N 2 1 340.515 3.701 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3CCC(C)(C)CC3)cc2)CC1 ZINC001648799815 1120040277 /nfs/dbraw/zinc/04/02/77/1120040277.db2.gz RYVAYQMEEQUOEA-UHFFFAOYSA-N 2 1 343.559 3.740 20 0 EHADMP CCO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001648826515 1120049796 /nfs/dbraw/zinc/04/97/96/1120049796.db2.gz JAUJQGYMCAEDGJ-LEWJYISDSA-N 2 1 330.516 3.897 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC001648960678 1120281308 /nfs/dbraw/zinc/28/13/08/1120281308.db2.gz SRWUPGXUBLKNCK-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186827100 1120476500 /nfs/dbraw/zinc/47/65/00/1120476500.db2.gz FCLFNTLPAWTBOA-YADHBBJMSA-N 2 1 344.543 3.877 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831276 1120476873 /nfs/dbraw/zinc/47/68/73/1120476873.db2.gz DOPYEIQMBBTBBN-GOSISDBHSA-N 2 1 332.488 3.638 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831276 1120476875 /nfs/dbraw/zinc/47/68/75/1120476875.db2.gz DOPYEIQMBBTBBN-GOSISDBHSA-N 2 1 332.488 3.638 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831276 1120476878 /nfs/dbraw/zinc/47/68/78/1120476878.db2.gz DOPYEIQMBBTBBN-GOSISDBHSA-N 2 1 332.488 3.638 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186831276 1120476880 /nfs/dbraw/zinc/47/68/80/1120476880.db2.gz DOPYEIQMBBTBBN-GOSISDBHSA-N 2 1 332.488 3.638 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000192926421 1120753938 /nfs/dbraw/zinc/75/39/38/1120753938.db2.gz UJOXNQJFBHZXLR-IBGZPJMESA-N 2 1 334.463 3.574 20 0 EHADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226435824 1120807978 /nfs/dbraw/zinc/80/79/78/1120807978.db2.gz XXWMAEWFUSHXGD-HNNXBMFYSA-N 2 1 325.294 3.659 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001168470395 1120841022 /nfs/dbraw/zinc/84/10/22/1120841022.db2.gz XZJXTYHASGIMTM-OAHLLOKOSA-N 2 1 330.422 3.846 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000494886094 1120894983 /nfs/dbraw/zinc/89/49/83/1120894983.db2.gz MCMZAUHZAZITJC-AEFFLSMTSA-N 2 1 333.524 3.670 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168473501 1120897166 /nfs/dbraw/zinc/89/71/66/1120897166.db2.gz NIPCTUFFSSRGSG-NDXORKPFSA-N 2 1 341.474 3.924 20 0 EHADMP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000494976314 1120920234 /nfs/dbraw/zinc/92/02/34/1120920234.db2.gz QDXNVLNXINKBOX-HSZSURFESA-N 2 1 346.490 3.900 20 0 EHADMP Brc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250188297 1120956670 /nfs/dbraw/zinc/95/66/70/1120956670.db2.gz ULNJNTYLLGRTAL-IACUBPJLSA-N 2 1 343.334 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000347441715 1120961668 /nfs/dbraw/zinc/96/16/68/1120961668.db2.gz PUYDATGPRLZYQR-GIVPXCGWSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000347441715 1120961672 /nfs/dbraw/zinc/96/16/72/1120961672.db2.gz PUYDATGPRLZYQR-GIVPXCGWSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441715 1120961676 /nfs/dbraw/zinc/96/16/76/1120961676.db2.gz PUYDATGPRLZYQR-GIVPXCGWSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000347441715 1120961678 /nfs/dbraw/zinc/96/16/78/1120961678.db2.gz PUYDATGPRLZYQR-GIVPXCGWSA-N 2 1 330.516 3.931 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)o1 ZINC000495186364 1120982560 /nfs/dbraw/zinc/98/25/60/1120982560.db2.gz XHIKAYQYFGRJKQ-HNAYVOBHSA-N 2 1 328.431 3.920 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001168480218 1120985041 /nfs/dbraw/zinc/98/50/41/1120985041.db2.gz MLWJBHJCMRLJLA-KBAYOESNSA-N 2 1 344.499 3.882 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000495432607 1121196107 /nfs/dbraw/zinc/19/61/07/1121196107.db2.gz JRFNNPUVECAKRJ-BOFXEDATSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495432601 1121196185 /nfs/dbraw/zinc/19/61/85/1121196185.db2.gz JPKRRWPVPSYQRS-NNWRFLSQSA-N 2 1 349.522 3.766 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000672536099 1129008710 /nfs/dbraw/zinc/00/87/10/1129008710.db2.gz YNJDATIDWBWZPN-UHFFFAOYSA-N 2 1 336.348 3.757 20 0 EHADMP N[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397612372 1121826303 /nfs/dbraw/zinc/82/63/03/1121826303.db2.gz RYGDRQJVOILLMI-FCHUYYIVSA-N 2 1 335.495 3.633 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000037197205 1122173890 /nfs/dbraw/zinc/17/38/90/1122173890.db2.gz WOCKDSLETMSFPC-NSHDSACASA-N 2 1 331.273 3.827 20 0 EHADMP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126672727 1122418455 /nfs/dbraw/zinc/41/84/55/1122418455.db2.gz FBDUBFIYIKABTI-LEWJYISDSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126672727 1122418456 /nfs/dbraw/zinc/41/84/56/1122418456.db2.gz FBDUBFIYIKABTI-LEWJYISDSA-N 2 1 336.479 3.982 20 0 EHADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127071474 1122459732 /nfs/dbraw/zinc/45/97/32/1122459732.db2.gz RXNWMTLEHRUWFG-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000127071474 1122459737 /nfs/dbraw/zinc/45/97/37/1122459737.db2.gz RXNWMTLEHRUWFG-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127071474 1122459739 /nfs/dbraw/zinc/45/97/39/1122459739.db2.gz RXNWMTLEHRUWFG-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000129331974 1122764319 /nfs/dbraw/zinc/76/43/19/1122764319.db2.gz LZVUMZFCNLVJPF-UHFFFAOYSA-N 2 1 335.879 3.510 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000129331974 1122764321 /nfs/dbraw/zinc/76/43/21/1122764321.db2.gz LZVUMZFCNLVJPF-UHFFFAOYSA-N 2 1 335.879 3.510 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498618643 1122994315 /nfs/dbraw/zinc/99/43/15/1122994315.db2.gz RWBRVYYTWSGUQA-AOIWGVFYSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131237116 1123062641 /nfs/dbraw/zinc/06/26/41/1123062641.db2.gz KIPVSMBSHDBYLQ-MRLCAUJQSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131237116 1123062646 /nfs/dbraw/zinc/06/26/46/1123062646.db2.gz KIPVSMBSHDBYLQ-MRLCAUJQSA-N 2 1 338.536 3.597 20 0 EHADMP CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556870130 1123160543 /nfs/dbraw/zinc/16/05/43/1123160543.db2.gz DAPNDGQFYSILFQ-ZHHKINOHSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131956724 1123192518 /nfs/dbraw/zinc/19/25/18/1123192518.db2.gz YAHFFORYKWPFQW-PZJWPPBQSA-N 2 1 330.516 3.802 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000556926066 1123208649 /nfs/dbraw/zinc/20/86/49/1123208649.db2.gz VTAIWAGPXBMXPR-MRXNPFEDSA-N 2 1 342.405 3.893 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000556926066 1123208652 /nfs/dbraw/zinc/20/86/52/1123208652.db2.gz VTAIWAGPXBMXPR-MRXNPFEDSA-N 2 1 342.405 3.893 20 0 EHADMP CC[N@H+](Cc1cccc(F)c1)CC1CCN(c2ccccn2)CC1 ZINC000076108553 1123468807 /nfs/dbraw/zinc/46/88/07/1123468807.db2.gz DNIVPCNMMNBPAD-UHFFFAOYSA-N 2 1 327.447 3.959 20 0 EHADMP C[N@H+](Cc1ccc(Br)cc1Cl)CC1CC[NH+](C)CC1 ZINC000134891280 1123561941 /nfs/dbraw/zinc/56/19/41/1123561941.db2.gz WBPWABPGYFMADX-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP COc1cccc(CCC[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134905912 1123562863 /nfs/dbraw/zinc/56/28/63/1123562863.db2.gz FHVOZMRNKSNQPT-NQIIRXRSSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134905912 1123562866 /nfs/dbraw/zinc/56/28/66/1123562866.db2.gz FHVOZMRNKSNQPT-NQIIRXRSSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134905912 1123562868 /nfs/dbraw/zinc/56/28/68/1123562868.db2.gz FHVOZMRNKSNQPT-NQIIRXRSSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134905912 1123562872 /nfs/dbraw/zinc/56/28/72/1123562872.db2.gz FHVOZMRNKSNQPT-NQIIRXRSSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134905912 1123562875 /nfs/dbraw/zinc/56/28/75/1123562875.db2.gz FHVOZMRNKSNQPT-NQIIRXRSSA-N 2 1 328.500 3.577 20 0 EHADMP COc1cccc([C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000245408621 1123816114 /nfs/dbraw/zinc/81/61/14/1123816114.db2.gz IDNWHPDGAZTZFW-FGTMMUONSA-N 2 1 346.515 3.577 20 0 EHADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1cccc(Br)c1 ZINC000245512747 1123857950 /nfs/dbraw/zinc/85/79/50/1123857950.db2.gz AVARCEQBWVLJLU-CABCVRRESA-N 2 1 339.321 3.826 20 0 EHADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000245512747 1123857953 /nfs/dbraw/zinc/85/79/53/1123857953.db2.gz AVARCEQBWVLJLU-CABCVRRESA-N 2 1 339.321 3.826 20 0 EHADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000245512747 1123857955 /nfs/dbraw/zinc/85/79/55/1123857955.db2.gz AVARCEQBWVLJLU-CABCVRRESA-N 2 1 339.321 3.826 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000172851174 1129167505 /nfs/dbraw/zinc/16/75/05/1129167505.db2.gz ZDRXHFUBNMARQB-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000172851174 1129167506 /nfs/dbraw/zinc/16/75/06/1129167506.db2.gz ZDRXHFUBNMARQB-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851174 1129167509 /nfs/dbraw/zinc/16/75/09/1129167509.db2.gz ZDRXHFUBNMARQB-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851174 1129167511 /nfs/dbraw/zinc/16/75/11/1129167511.db2.gz ZDRXHFUBNMARQB-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246875725 1124562180 /nfs/dbraw/zinc/56/21/80/1124562180.db2.gz DSQGPECHGMGOGR-CKEIUWERSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246875725 1124562191 /nfs/dbraw/zinc/56/21/91/1124562191.db2.gz DSQGPECHGMGOGR-CKEIUWERSA-N 2 1 339.321 3.843 20 0 EHADMP Fc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246952419 1124571391 /nfs/dbraw/zinc/57/13/91/1124571391.db2.gz UQFZPNGRPPNFKR-JXFKEZNVSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246952419 1124571398 /nfs/dbraw/zinc/57/13/98/1124571398.db2.gz UQFZPNGRPPNFKR-JXFKEZNVSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246952419 1124571407 /nfs/dbraw/zinc/57/14/07/1124571407.db2.gz UQFZPNGRPPNFKR-JXFKEZNVSA-N 2 1 332.463 3.543 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000247967013 1124632250 /nfs/dbraw/zinc/63/22/50/1124632250.db2.gz GYSHXRFNSUPJIE-CMKODMSKSA-N 2 1 331.548 3.968 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520552086 1124653668 /nfs/dbraw/zinc/65/36/68/1124653668.db2.gz SHMLQMZNHKQJNI-GIVPXCGWSA-N 2 1 329.532 3.532 20 0 EHADMP C([NH+]1CCC[C@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)COC1 ZINC000248436986 1124663494 /nfs/dbraw/zinc/66/34/94/1124663494.db2.gz SKKXQJYPEVADEB-IYWMVGAKSA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@@H]2CCC[C@H]21)C1(C[N@@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436986 1124663496 /nfs/dbraw/zinc/66/34/96/1124663496.db2.gz SKKXQJYPEVADEB-IYWMVGAKSA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436986 1124663499 /nfs/dbraw/zinc/66/34/99/1124663499.db2.gz SKKXQJYPEVADEB-IYWMVGAKSA-N 2 1 332.532 3.532 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089614280 1124827613 /nfs/dbraw/zinc/82/76/13/1124827613.db2.gz DJERIDGMNUWBRS-APWZRJJASA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089614280 1124827617 /nfs/dbraw/zinc/82/76/17/1124827617.db2.gz DJERIDGMNUWBRS-APWZRJJASA-N 2 1 335.923 3.503 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000091723120 1124997045 /nfs/dbraw/zinc/99/70/45/1124997045.db2.gz PFLZHYDFWDDIHL-MJGOQNOKSA-N 2 1 336.545 3.806 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000657311549 1129256198 /nfs/dbraw/zinc/25/61/98/1129256198.db2.gz NJHGDPQKWYRZPH-SFHVURJKSA-N 2 1 340.515 3.815 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000657311549 1129256199 /nfs/dbraw/zinc/25/61/99/1129256199.db2.gz NJHGDPQKWYRZPH-SFHVURJKSA-N 2 1 340.515 3.815 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C(C)C)cc1 ZINC000765980026 1129430463 /nfs/dbraw/zinc/43/04/63/1129430463.db2.gz YSPUHZTXRHPFKK-FGZHOGPDSA-N 2 1 344.543 3.795 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000499910571 1129568832 /nfs/dbraw/zinc/56/88/32/1129568832.db2.gz CAYUVOLPRLRNDZ-UHFFFAOYSA-N 2 1 348.494 3.919 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000499910571 1129568834 /nfs/dbraw/zinc/56/88/34/1129568834.db2.gz CAYUVOLPRLRNDZ-UHFFFAOYSA-N 2 1 348.494 3.919 20 0 EHADMP Cc1c(Br)cccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922684379 1129625343 /nfs/dbraw/zinc/62/53/43/1129625343.db2.gz IODQSNWWLHTNEJ-JKSUJKDBSA-N 2 1 337.305 3.516 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc2ccccc21 ZINC000282387073 1129679825 /nfs/dbraw/zinc/67/98/25/1129679825.db2.gz QXWIJXSRBQEOIY-KRWDZBQOSA-N 2 1 325.500 3.516 20 0 EHADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000509073168 1129720111 /nfs/dbraw/zinc/72/01/11/1129720111.db2.gz YTYPNCGJGODSRH-YKZIBMJKSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000509073168 1129720113 /nfs/dbraw/zinc/72/01/13/1129720113.db2.gz YTYPNCGJGODSRH-YKZIBMJKSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000509073168 1129720115 /nfs/dbraw/zinc/72/01/15/1129720115.db2.gz YTYPNCGJGODSRH-YKZIBMJKSA-N 2 1 328.500 3.652 20 0 EHADMP CCO[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216296 1129765993 /nfs/dbraw/zinc/76/59/93/1129765993.db2.gz PHKVINURQOPSTD-JRGCBEDISA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216296 1129765997 /nfs/dbraw/zinc/76/59/97/1129765997.db2.gz PHKVINURQOPSTD-JRGCBEDISA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216296 1129766000 /nfs/dbraw/zinc/76/60/00/1129766000.db2.gz PHKVINURQOPSTD-JRGCBEDISA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216296 1129766003 /nfs/dbraw/zinc/76/60/03/1129766003.db2.gz PHKVINURQOPSTD-JRGCBEDISA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625652158 1129968986 /nfs/dbraw/zinc/96/89/86/1129968986.db2.gz BSNLJOFEKVBOJR-NMWPEEMBSA-N 2 1 338.433 3.823 20 0 EHADMP C[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625652158 1129968989 /nfs/dbraw/zinc/96/89/89/1129968989.db2.gz BSNLJOFEKVBOJR-NMWPEEMBSA-N 2 1 338.433 3.823 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067341 1129996713 /nfs/dbraw/zinc/99/67/13/1129996713.db2.gz IJAUTCMTIPLAFV-APWZRJJASA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067341 1129996715 /nfs/dbraw/zinc/99/67/15/1129996715.db2.gz IJAUTCMTIPLAFV-APWZRJJASA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675749961 1130465141 /nfs/dbraw/zinc/46/51/41/1130465141.db2.gz HSHUSBYNGZGCQO-RBUKOAKNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752538 1130465498 /nfs/dbraw/zinc/46/54/98/1130465498.db2.gz YIXNONCEBWVYTI-COXVUDFISA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745802 1130468544 /nfs/dbraw/zinc/46/85/44/1130468544.db2.gz GOVIUBNWKNFBQY-UWVAXJGDSA-N 2 1 339.483 3.794 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745802 1130468549 /nfs/dbraw/zinc/46/85/49/1130468549.db2.gz GOVIUBNWKNFBQY-UWVAXJGDSA-N 2 1 339.483 3.794 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(Cl)c1 ZINC000675880821 1130500358 /nfs/dbraw/zinc/50/03/58/1130500358.db2.gz HHEDEMCMOCELTE-XJKSGUPXSA-N 2 1 340.870 3.773 20 0 EHADMP CC[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000732208119 1130896031 /nfs/dbraw/zinc/89/60/31/1130896031.db2.gz HLIKWJCWHAFIJP-LWYYNNOASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1C[N@H+](CCCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000732208119 1130896033 /nfs/dbraw/zinc/89/60/33/1130896033.db2.gz HLIKWJCWHAFIJP-LWYYNNOASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1C[N@@H+](CCCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000732208119 1130896035 /nfs/dbraw/zinc/89/60/35/1130896035.db2.gz HLIKWJCWHAFIJP-LWYYNNOASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000732208117 1130896358 /nfs/dbraw/zinc/89/63/58/1130896358.db2.gz HLIKWJCWHAFIJP-FGYAAKKASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1C[N@H+](CCCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000732208117 1130896366 /nfs/dbraw/zinc/89/63/66/1130896366.db2.gz HLIKWJCWHAFIJP-FGYAAKKASA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1C[N@@H+](CCCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000732208117 1130896372 /nfs/dbraw/zinc/89/63/72/1130896372.db2.gz HLIKWJCWHAFIJP-FGYAAKKASA-N 2 1 340.552 3.545 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733842501 1131084036 /nfs/dbraw/zinc/08/40/36/1131084036.db2.gz XLHQTRCEFKHDBB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733842501 1131084041 /nfs/dbraw/zinc/08/40/41/1131084041.db2.gz XLHQTRCEFKHDBB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733842501 1131084047 /nfs/dbraw/zinc/08/40/47/1131084047.db2.gz XLHQTRCEFKHDBB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733842501 1131084052 /nfs/dbraw/zinc/08/40/52/1131084052.db2.gz XLHQTRCEFKHDBB-VQTJNVASSA-N 2 1 330.516 3.960 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886384 1131553536 /nfs/dbraw/zinc/55/35/36/1131553536.db2.gz QBUJEDXZZYRMRT-MAUKXSAKSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886384 1131553541 /nfs/dbraw/zinc/55/35/41/1131553541.db2.gz QBUJEDXZZYRMRT-MAUKXSAKSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886384 1131553544 /nfs/dbraw/zinc/55/35/44/1131553544.db2.gz QBUJEDXZZYRMRT-MAUKXSAKSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](CC)[C@@H](C)C3)cc(=O)oc2c1 ZINC000740886384 1131553546 /nfs/dbraw/zinc/55/35/46/1131553546.db2.gz QBUJEDXZZYRMRT-MAUKXSAKSA-N 2 1 342.483 3.660 20 0 EHADMP Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000741788024 1131648918 /nfs/dbraw/zinc/64/89/18/1131648918.db2.gz OAINYIFCVOPKCR-FPOVZHCZSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccccc1[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000741788024 1131648920 /nfs/dbraw/zinc/64/89/20/1131648920.db2.gz OAINYIFCVOPKCR-FPOVZHCZSA-N 2 1 330.516 3.616 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001172427173 1131723791 /nfs/dbraw/zinc/72/37/91/1131723791.db2.gz SPNAGTBRHMXTOG-GOSISDBHSA-N 2 1 345.531 3.573 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001172427174 1131724132 /nfs/dbraw/zinc/72/41/32/1131724132.db2.gz SPNAGTBRHMXTOG-SFHVURJKSA-N 2 1 345.531 3.573 20 0 EHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172543908 1131782317 /nfs/dbraw/zinc/78/23/17/1131782317.db2.gz PJUNOSLFDSWLQS-MOPGFXCFSA-N 2 1 341.499 3.843 20 0 EHADMP CCC(CC)[N@@H+]([C@@H](C)CCC(=O)OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172753665 1131835318 /nfs/dbraw/zinc/83/53/18/1131835318.db2.gz VCAUMGOFBLRLMF-BQFCYCMXSA-N 2 1 326.525 3.867 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)C1 ZINC001172941989 1131912727 /nfs/dbraw/zinc/91/27/27/1131912727.db2.gz MHYROPGDYCIEHK-MOPGFXCFSA-N 2 1 332.488 3.525 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173082254 1131961881 /nfs/dbraw/zinc/96/18/81/1131961881.db2.gz FFHFCNFEENEIKZ-CQSZACIVSA-N 2 1 344.421 3.790 20 0 EHADMP CCOC(=O)C[C@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C[C@@H]1C ZINC001173117473 1131972941 /nfs/dbraw/zinc/97/29/41/1131972941.db2.gz MZXCZTHLDDHACR-FKAKGIQBSA-N 2 1 338.536 3.551 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001173274200 1132025774 /nfs/dbraw/zinc/02/57/74/1132025774.db2.gz DBLZIZMATONCEQ-QYZOEREBSA-N 2 1 346.515 3.914 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634341 1132436824 /nfs/dbraw/zinc/43/68/24/1132436824.db2.gz VAVQZQUXTFQDLC-QUCCMNQESA-N 2 1 330.516 3.572 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379634341 1132436828 /nfs/dbraw/zinc/43/68/28/1132436828.db2.gz VAVQZQUXTFQDLC-QUCCMNQESA-N 2 1 330.516 3.572 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000385815594 1132503859 /nfs/dbraw/zinc/50/38/59/1132503859.db2.gz NYZBRFPNILFGQH-DOIPELPJSA-N 2 1 342.527 3.692 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1)C2 ZINC001169082086 1132658604 /nfs/dbraw/zinc/65/86/04/1132658604.db2.gz XORBSVYBQNACMJ-FDKIHUSFSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Br)c1 ZINC001169116935 1132661652 /nfs/dbraw/zinc/66/16/52/1132661652.db2.gz UGFXAUKYEVMQKI-DEQVHRJGSA-N 2 1 341.268 3.864 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001169116502 1132661855 /nfs/dbraw/zinc/66/18/55/1132661855.db2.gz QSINRGYOUNOZSE-REPLKXPHSA-N 2 1 348.918 3.603 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117317 1132662359 /nfs/dbraw/zinc/66/23/59/1132662359.db2.gz YGVLYXCSRPJGMP-IVSAIRAKSA-N 2 1 339.405 3.766 20 0 EHADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(F)(F)F ZINC001169120192 1132664334 /nfs/dbraw/zinc/66/43/34/1132664334.db2.gz ZGWBUAFIBXBXLS-QKDCVEJESA-N 2 1 342.405 3.819 20 0 EHADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001169120192 1132664339 /nfs/dbraw/zinc/66/43/39/1132664339.db2.gz ZGWBUAFIBXBXLS-QKDCVEJESA-N 2 1 342.405 3.819 20 0 EHADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108580 1132669394 /nfs/dbraw/zinc/66/93/94/1132669394.db2.gz BVRVAPDNSZDNEH-MIGQKNRLSA-N 2 1 337.305 3.595 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)OC(C)(C)c1ccccc13)C2 ZINC001169146627 1132676512 /nfs/dbraw/zinc/67/65/12/1132676512.db2.gz QPGJYPHZWRLPGY-BCDXTJNWSA-N 2 1 340.511 3.868 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2Br)CCC[C@H]1C[NH3+] ZINC001206003416 1132685578 /nfs/dbraw/zinc/68/55/78/1132685578.db2.gz HRILYACFQCRTQG-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC001175506131 1132695128 /nfs/dbraw/zinc/69/51/28/1132695128.db2.gz VMKPOKWUIDEBLP-UHFFFAOYSA-N 2 1 345.450 3.777 20 0 EHADMP C[N@H+]1CCC=C(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)C1 ZINC001175582051 1132715319 /nfs/dbraw/zinc/71/53/19/1132715319.db2.gz CRAMOIFKHJHHDO-NRFANRHFSA-N 2 1 325.500 3.661 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001175821703 1132777979 /nfs/dbraw/zinc/77/79/79/1132777979.db2.gz NZIRCBHWVYNIDJ-INIZCTEOSA-N 2 1 333.426 3.899 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001175821703 1132777984 /nfs/dbraw/zinc/77/79/84/1132777984.db2.gz NZIRCBHWVYNIDJ-INIZCTEOSA-N 2 1 333.426 3.899 20 0 EHADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1C ZINC001177066364 1133027505 /nfs/dbraw/zinc/02/75/05/1133027505.db2.gz VJUYAQMAHZFGBF-UHFFFAOYSA-N 2 1 332.488 3.526 20 0 EHADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001177066364 1133027512 /nfs/dbraw/zinc/02/75/12/1133027512.db2.gz VJUYAQMAHZFGBF-UHFFFAOYSA-N 2 1 332.488 3.526 20 0 EHADMP C[NH+]1CCN([C@@H](C[NH2+]CC2CCCCCC2)c2cccs2)CC1 ZINC001177104401 1133031138 /nfs/dbraw/zinc/03/11/38/1133031138.db2.gz RCFWPVWWCQMIRU-SFHVURJKSA-N 2 1 335.561 3.597 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccccc2OCC2CC2)C1 ZINC001177294959 1133047710 /nfs/dbraw/zinc/04/77/10/1133047710.db2.gz UORVWTMNLYUCQR-QZTJIDSGSA-N 2 1 330.516 3.933 20 0 EHADMP CN(C)c1ccc(F)cc1CNCc1ccc(-n2ccnc2)c(F)c1 ZINC001177469904 1133066064 /nfs/dbraw/zinc/06/60/64/1133066064.db2.gz CLZDODWRLBPXSK-UHFFFAOYSA-N 2 1 342.393 3.506 20 0 EHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483597 1133068785 /nfs/dbraw/zinc/06/87/85/1133068785.db2.gz ZFOSYHZIDGNLEC-SBHAEUEKSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001177483597 1133068790 /nfs/dbraw/zinc/06/87/90/1133068790.db2.gz ZFOSYHZIDGNLEC-SBHAEUEKSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177483597 1133068797 /nfs/dbraw/zinc/06/87/97/1133068797.db2.gz ZFOSYHZIDGNLEC-SBHAEUEKSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177483597 1133068801 /nfs/dbraw/zinc/06/88/01/1133068801.db2.gz ZFOSYHZIDGNLEC-SBHAEUEKSA-N 2 1 343.559 3.922 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC2(CCCC2)C1)C1CC[NH+](C)CC1 ZINC000769403356 1133278851 /nfs/dbraw/zinc/27/88/51/1133278851.db2.gz RCHCARKTBSVOHL-UHFFFAOYSA-N 2 1 341.543 3.983 20 0 EHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001179830843 1133286366 /nfs/dbraw/zinc/28/63/66/1133286366.db2.gz XFBQLVKWBNRVAF-CQSZACIVSA-N 2 1 340.533 3.913 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919402 1133307250 /nfs/dbraw/zinc/30/72/50/1133307250.db2.gz LMJNURZABIUFAK-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919402 1133307253 /nfs/dbraw/zinc/30/72/53/1133307253.db2.gz LMJNURZABIUFAK-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919402 1133307257 /nfs/dbraw/zinc/30/72/57/1133307257.db2.gz LMJNURZABIUFAK-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919402 1133307261 /nfs/dbraw/zinc/30/72/61/1133307261.db2.gz LMJNURZABIUFAK-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919402 1133307265 /nfs/dbraw/zinc/30/72/65/1133307265.db2.gz LMJNURZABIUFAK-DLBZAZTESA-N 2 1 326.406 3.708 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919405 1133307275 /nfs/dbraw/zinc/30/72/75/1133307275.db2.gz LMJNURZABIUFAK-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919405 1133307284 /nfs/dbraw/zinc/30/72/84/1133307284.db2.gz LMJNURZABIUFAK-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919405 1133307287 /nfs/dbraw/zinc/30/72/87/1133307287.db2.gz LMJNURZABIUFAK-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919405 1133307291 /nfs/dbraw/zinc/30/72/91/1133307291.db2.gz LMJNURZABIUFAK-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC001179919405 1133307296 /nfs/dbraw/zinc/30/72/96/1133307296.db2.gz LMJNURZABIUFAK-SJORKVTESA-N 2 1 326.406 3.708 20 0 EHADMP Cc1cnc([C@@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000770617995 1133454367 /nfs/dbraw/zinc/45/43/67/1133454367.db2.gz JEXFCTQYXWWZQW-MRXNPFEDSA-N 2 1 342.487 3.934 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001181222075 1133471538 /nfs/dbraw/zinc/47/15/38/1133471538.db2.gz DNNHTBSDQOHMNU-TUFLPTIASA-N 2 1 344.543 3.816 20 0 EHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001181506986 1133494648 /nfs/dbraw/zinc/49/46/48/1133494648.db2.gz XUWSOZCAPLLNPY-UHFFFAOYSA-N 2 1 335.492 3.807 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001181506986 1133494651 /nfs/dbraw/zinc/49/46/51/1133494651.db2.gz XUWSOZCAPLLNPY-UHFFFAOYSA-N 2 1 335.492 3.807 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534027 1133498467 /nfs/dbraw/zinc/49/84/67/1133498467.db2.gz DXWWFGIHJBDWHP-QUCCMNQESA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534027 1133498470 /nfs/dbraw/zinc/49/84/70/1133498470.db2.gz DXWWFGIHJBDWHP-QUCCMNQESA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(Oc3ccccn3)c2)C1 ZINC001181534027 1133498473 /nfs/dbraw/zinc/49/84/73/1133498473.db2.gz DXWWFGIHJBDWHP-QUCCMNQESA-N 2 1 337.467 3.790 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)O ZINC001181754336 1133521524 /nfs/dbraw/zinc/52/15/24/1133521524.db2.gz ZPXPRKYCSOIYRE-CUWPLCDZSA-N 2 1 332.532 3.674 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCC2(C)OCCO2)cc1 ZINC000774383908 1133668168 /nfs/dbraw/zinc/66/81/68/1133668168.db2.gz MQIQSRHDHCGCNA-INIZCTEOSA-N 2 1 343.471 3.765 20 0 EHADMP CC(C)(C)[C@]1(C[NH2+]C[C@@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182864855 1133740916 /nfs/dbraw/zinc/74/09/16/1133740916.db2.gz NNXWXEVALWFLCT-FPOVZHCZSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC001182852095 1133742770 /nfs/dbraw/zinc/74/27/70/1133742770.db2.gz OZWOXOPRHUWAKX-FQEVSTJZSA-N 2 1 343.515 3.872 20 0 EHADMP CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC001182852095 1133742772 /nfs/dbraw/zinc/74/27/72/1133742772.db2.gz OZWOXOPRHUWAKX-FQEVSTJZSA-N 2 1 343.515 3.872 20 0 EHADMP CC(C)[NH+]1CC[C@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001182852095 1133742777 /nfs/dbraw/zinc/74/27/77/1133742777.db2.gz OZWOXOPRHUWAKX-FQEVSTJZSA-N 2 1 343.515 3.872 20 0 EHADMP CC(C)[NH+]1CC[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001182852095 1133742779 /nfs/dbraw/zinc/74/27/79/1133742779.db2.gz OZWOXOPRHUWAKX-FQEVSTJZSA-N 2 1 343.515 3.872 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137102 1133774445 /nfs/dbraw/zinc/77/44/45/1133774445.db2.gz OJKYAZUPTYQTLL-BHIFYINESA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137102 1133774451 /nfs/dbraw/zinc/77/44/51/1133774451.db2.gz OJKYAZUPTYQTLL-BHIFYINESA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001183137102 1133774453 /nfs/dbraw/zinc/77/44/53/1133774453.db2.gz OJKYAZUPTYQTLL-BHIFYINESA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183137102 1133774459 /nfs/dbraw/zinc/77/44/59/1133774459.db2.gz OJKYAZUPTYQTLL-BHIFYINESA-N 2 1 344.543 3.772 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183788275 1133857768 /nfs/dbraw/zinc/85/77/68/1133857768.db2.gz KXEMPYGQCQGCNP-YSIASYRMSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000746675077 1133991497 /nfs/dbraw/zinc/99/14/97/1133991497.db2.gz ZLJRQSKCZDEOIM-WAOWUJCRSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000746675077 1133991502 /nfs/dbraw/zinc/99/15/02/1133991502.db2.gz ZLJRQSKCZDEOIM-WAOWUJCRSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000746675077 1133991507 /nfs/dbraw/zinc/99/15/07/1133991507.db2.gz ZLJRQSKCZDEOIM-WAOWUJCRSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000746675077 1133991512 /nfs/dbraw/zinc/99/15/12/1133991512.db2.gz ZLJRQSKCZDEOIM-WAOWUJCRSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000746675077 1133991517 /nfs/dbraw/zinc/99/15/17/1133991517.db2.gz ZLJRQSKCZDEOIM-WAOWUJCRSA-N 2 1 348.506 3.754 20 0 EHADMP Cc1cc(Br)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000774913219 1134119294 /nfs/dbraw/zinc/11/92/94/1134119294.db2.gz RFUGWEPDNXVJQI-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000788477722 1134129526 /nfs/dbraw/zinc/12/95/26/1134129526.db2.gz FFFWOSSDQCTXBB-QGZVFWFLSA-N 2 1 337.305 3.928 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000788603582 1134150193 /nfs/dbraw/zinc/15/01/93/1134150193.db2.gz FDPXLTBTFWZMKO-CVEARBPZSA-N 2 1 325.456 3.663 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000788603584 1134150449 /nfs/dbraw/zinc/15/04/49/1134150449.db2.gz FDPXLTBTFWZMKO-HZPDHXFCSA-N 2 1 325.456 3.663 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000774971979 1134170679 /nfs/dbraw/zinc/17/06/79/1134170679.db2.gz AVEQCZLKLZVIPG-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145583 1134474411 /nfs/dbraw/zinc/47/44/11/1134474411.db2.gz UQBUWCHVQFTGQO-KZEVZHLLSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145583 1134474415 /nfs/dbraw/zinc/47/44/15/1134474415.db2.gz UQBUWCHVQFTGQO-KZEVZHLLSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145583 1134474418 /nfs/dbraw/zinc/47/44/18/1134474418.db2.gz UQBUWCHVQFTGQO-KZEVZHLLSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145583 1134474421 /nfs/dbraw/zinc/47/44/21/1134474421.db2.gz UQBUWCHVQFTGQO-KZEVZHLLSA-N 2 1 327.516 3.803 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001170407965 1134771074 /nfs/dbraw/zinc/77/10/74/1134771074.db2.gz PVXAVPNLIIIRKU-SJLPKXTDSA-N 2 1 332.488 3.591 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170429817 1134905840 /nfs/dbraw/zinc/90/58/40/1134905840.db2.gz VRASKHCLLHJENT-FHWLQOOXSA-N 2 1 346.515 3.964 20 0 EHADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001192003857 1134950807 /nfs/dbraw/zinc/95/08/07/1134950807.db2.gz CSIQPTQQRALBGJ-KBWCOIMZSA-N 2 1 330.516 3.538 20 0 EHADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001192003857 1134950814 /nfs/dbraw/zinc/95/08/14/1134950814.db2.gz CSIQPTQQRALBGJ-KBWCOIMZSA-N 2 1 330.516 3.538 20 0 EHADMP CCOC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716692374 1134990068 /nfs/dbraw/zinc/99/00/68/1134990068.db2.gz LKCBSFFIUUGHLG-XSDIEEQYSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Br)CC[C@H]1C[NH3+] ZINC001205626906 1135118213 /nfs/dbraw/zinc/11/82/13/1135118213.db2.gz KNSNKUQPHITUGT-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205628260 1135132594 /nfs/dbraw/zinc/13/25/94/1135132594.db2.gz UEPHOGSDIZKIFD-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205628260 1135132596 /nfs/dbraw/zinc/13/25/96/1135132596.db2.gz UEPHOGSDIZKIFD-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912281 1135490251 /nfs/dbraw/zinc/49/02/51/1135490251.db2.gz YRDTXWPNOKQXKE-RBBKRZOGSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912281 1135490254 /nfs/dbraw/zinc/49/02/54/1135490254.db2.gz YRDTXWPNOKQXKE-RBBKRZOGSA-N 2 1 346.559 3.694 20 0 EHADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001195912281 1135490260 /nfs/dbraw/zinc/49/02/60/1135490260.db2.gz YRDTXWPNOKQXKE-RBBKRZOGSA-N 2 1 346.559 3.694 20 0 EHADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808788320 1135737399 /nfs/dbraw/zinc/73/73/99/1135737399.db2.gz LBOATKJOQSOEOC-BHIFYINESA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808788320 1135737406 /nfs/dbraw/zinc/73/74/06/1135737406.db2.gz LBOATKJOQSOEOC-BHIFYINESA-N 2 1 338.495 3.925 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160466858 1135739218 /nfs/dbraw/zinc/73/92/18/1135739218.db2.gz WAAQZTUVQHMKOW-WIYYLYMNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000160466858 1135739221 /nfs/dbraw/zinc/73/92/21/1135739221.db2.gz WAAQZTUVQHMKOW-WIYYLYMNSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027667 1135767888 /nfs/dbraw/zinc/76/78/88/1135767888.db2.gz RWMHHUFSWQSFEQ-ROUUACIJSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027667 1135767890 /nfs/dbraw/zinc/76/78/90/1135767890.db2.gz RWMHHUFSWQSFEQ-ROUUACIJSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027667 1135767891 /nfs/dbraw/zinc/76/78/91/1135767891.db2.gz RWMHHUFSWQSFEQ-ROUUACIJSA-N 2 1 338.923 3.609 20 0 EHADMP CC1(C)CO[C@@H](C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001198202162 1135784058 /nfs/dbraw/zinc/78/40/58/1135784058.db2.gz KXKUFLIKADZGSN-HXUWFJFHSA-N 2 1 342.527 3.889 20 0 EHADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)c2cccs2)CC1 ZINC001198968877 1135869924 /nfs/dbraw/zinc/86/99/24/1135869924.db2.gz KHAMTGXSLWVCMD-QZTJIDSGSA-N 2 1 349.588 3.843 20 0 EHADMP Cc1c(N)cc[nH+]c1NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170585273 1135873898 /nfs/dbraw/zinc/87/38/98/1135873898.db2.gz KEOXXBJYQZDXQO-OAHLLOKOSA-N 2 1 339.270 3.994 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCCCO3)cc1 ZINC000809738730 1135883254 /nfs/dbraw/zinc/88/32/54/1135883254.db2.gz GXQCFNHLMBCASN-UHFFFAOYSA-N 2 1 340.467 3.542 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc3ccc(Cl)cn23)cc1 ZINC000809738936 1135883617 /nfs/dbraw/zinc/88/36/17/1135883617.db2.gz PWOLCQWJQDTUBE-UHFFFAOYSA-N 2 1 342.874 3.681 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126854 1135924103 /nfs/dbraw/zinc/92/41/03/1135924103.db2.gz NROQFJSMFMLMST-MJGOQNOKSA-N 2 1 343.515 3.729 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126852 1135924216 /nfs/dbraw/zinc/92/42/16/1135924216.db2.gz NROQFJSMFMLMST-HKUYNNGSSA-N 2 1 343.515 3.729 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000105442897 1135948064 /nfs/dbraw/zinc/94/80/64/1135948064.db2.gz BMYXWVCJOWMJOA-ZDUSSCGKSA-N 2 1 341.377 3.559 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(C)cc1Br ZINC001205915504 1136004489 /nfs/dbraw/zinc/00/44/89/1136004489.db2.gz PLZUQYAFGNAMKE-KGLIPLIRSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(C)cc1Br ZINC001205915504 1136004490 /nfs/dbraw/zinc/00/44/90/1136004490.db2.gz PLZUQYAFGNAMKE-KGLIPLIRSA-N 2 1 325.294 3.625 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001201390524 1136015766 /nfs/dbraw/zinc/01/57/66/1136015766.db2.gz XJHJYNPZGGIRBU-LJQANCHMSA-N 2 1 346.515 3.915 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001201411744 1136016409 /nfs/dbraw/zinc/01/64/09/1136016409.db2.gz RUBNFQVMTAKBMR-OALUTQOASA-N 2 1 344.499 3.691 20 0 EHADMP CC[C@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201504008 1136029383 /nfs/dbraw/zinc/02/93/83/1136029383.db2.gz TZXSXRLYELVIJK-IRXDYDNUSA-N 2 1 336.545 3.850 20 0 EHADMP CCC[C@@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201541767 1136033664 /nfs/dbraw/zinc/03/36/64/1136033664.db2.gz GCKRXAQVXKRXAR-MSOLQXFVSA-N 2 1 334.504 3.771 20 0 EHADMP CC(C)CC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201617836 1136047619 /nfs/dbraw/zinc/04/76/19/1136047619.db2.gz PHZLGMVZCITTOZ-QGZVFWFLSA-N 2 1 336.545 3.850 20 0 EHADMP CCCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201746142 1136057722 /nfs/dbraw/zinc/05/77/22/1136057722.db2.gz AIFBCVZUXLXWCS-SFHVURJKSA-N 2 1 334.504 3.915 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000850524390 1136277619 /nfs/dbraw/zinc/27/76/19/1136277619.db2.gz XLHRCOYSCWSCFL-IOJLRTSASA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000813881660 1136371891 /nfs/dbraw/zinc/37/18/91/1136371891.db2.gz RLMJONJRCPVOHM-KXEVLKFVSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728352 1136480797 /nfs/dbraw/zinc/48/07/97/1136480797.db2.gz ASNDOYRGOWSWEB-MSOLQXFVSA-N 2 1 335.879 3.583 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239928 1136521018 /nfs/dbraw/zinc/52/10/18/1136521018.db2.gz KLEMMBYVVLNATF-FXAWDEMLSA-N 2 1 328.500 3.784 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815056057 1136541148 /nfs/dbraw/zinc/54/11/48/1136541148.db2.gz ZQHZVZWKFVKYNY-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815056057 1136541153 /nfs/dbraw/zinc/54/11/53/1136541153.db2.gz ZQHZVZWKFVKYNY-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000815071815 1136546580 /nfs/dbraw/zinc/54/65/80/1136546580.db2.gz WIVKBQZHPZEQIX-HBGVWJBISA-N 2 1 326.484 3.535 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2conc2Cc2ccccc2)cc1 ZINC000816610708 1136741196 /nfs/dbraw/zinc/74/11/96/1136741196.db2.gz VIMYFXHQRGEHKQ-UHFFFAOYSA-N 2 1 349.478 3.959 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2conc2Cc2ccccc2)cc1 ZINC000816610708 1136741198 /nfs/dbraw/zinc/74/11/98/1136741198.db2.gz VIMYFXHQRGEHKQ-UHFFFAOYSA-N 2 1 349.478 3.959 20 0 EHADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604536 1136798057 /nfs/dbraw/zinc/79/80/57/1136798057.db2.gz OWNCTVCXUYEDCL-FXAWDEMLSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604536 1136798059 /nfs/dbraw/zinc/79/80/59/1136798059.db2.gz OWNCTVCXUYEDCL-FXAWDEMLSA-N 2 1 333.520 3.810 20 0 EHADMP CC(C)C[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604536 1136798062 /nfs/dbraw/zinc/79/80/62/1136798062.db2.gz OWNCTVCXUYEDCL-FXAWDEMLSA-N 2 1 333.520 3.810 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856765474 1136808088 /nfs/dbraw/zinc/80/80/88/1136808088.db2.gz DSHPNLFSGOALRE-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856765474 1136808091 /nfs/dbraw/zinc/80/80/91/1136808091.db2.gz DSHPNLFSGOALRE-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2)C1 ZINC000856765978 1136808774 /nfs/dbraw/zinc/80/87/74/1136808774.db2.gz OYIDIIXMDDVNCL-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2)C1 ZINC000856765978 1136808778 /nfs/dbraw/zinc/80/87/78/1136808778.db2.gz OYIDIIXMDDVNCL-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000818339904 1136871919 /nfs/dbraw/zinc/87/19/19/1136871919.db2.gz FXCABCIWUWMLPF-IRXDYDNUSA-N 2 1 343.515 3.603 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818959301 1136895747 /nfs/dbraw/zinc/89/57/47/1136895747.db2.gz HUBKONNIDLNECO-KDOFPFPSSA-N 2 1 342.886 3.757 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818959585 1136895851 /nfs/dbraw/zinc/89/58/51/1136895851.db2.gz OFBJFWHJSYFJGA-RDTXWAMCSA-N 2 1 342.886 3.614 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982891 1136896513 /nfs/dbraw/zinc/89/65/13/1136896513.db2.gz VBSORODYPHUOEE-IFMALSPDSA-N 2 1 338.495 3.530 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818985916 1136896706 /nfs/dbraw/zinc/89/67/06/1136896706.db2.gz ZUNARQNZOGTLQC-SUMWQHHRSA-N 2 1 345.314 3.737 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000819100820 1136908627 /nfs/dbraw/zinc/90/86/27/1136908627.db2.gz IXCOTFOXFXOAEQ-QWFCFKBJSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000819100820 1136908631 /nfs/dbraw/zinc/90/86/31/1136908631.db2.gz IXCOTFOXFXOAEQ-QWFCFKBJSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccc2sc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)nc2c1 ZINC000859292420 1137011017 /nfs/dbraw/zinc/01/10/17/1137011017.db2.gz ZOPYMBPLJQEBKB-UHFFFAOYSA-N 2 1 329.513 3.913 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037376 1137122547 /nfs/dbraw/zinc/12/25/47/1137122547.db2.gz LNQOOPBEALPNKM-RDJZCZTQSA-N 2 1 345.437 3.750 20 0 EHADMP CC[N@@H+](Cc1ccnc(F)c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000862250906 1137135337 /nfs/dbraw/zinc/13/53/37/1137135337.db2.gz WQQMALLQAMVLGB-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP CC[N@H+](Cc1ccnc(F)c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000862250906 1137135338 /nfs/dbraw/zinc/13/53/38/1137135338.db2.gz WQQMALLQAMVLGB-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccnc(F)c1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000862250906 1137135339 /nfs/dbraw/zinc/13/53/39/1137135339.db2.gz WQQMALLQAMVLGB-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccnc(F)c1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000862250906 1137135340 /nfs/dbraw/zinc/13/53/40/1137135340.db2.gz WQQMALLQAMVLGB-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP Cc1c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862299612 1137137798 /nfs/dbraw/zinc/13/77/98/1137137798.db2.gz DRQAKKGBXPKPGQ-APWZRJJASA-N 2 1 327.447 3.529 20 0 EHADMP C[N@H+](Cc1cn2ccccc2n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001136881827 1137138945 /nfs/dbraw/zinc/13/89/45/1137138945.db2.gz JDDJOBKUHORQIF-UHFFFAOYSA-N 2 1 348.494 3.678 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367766 1137140624 /nfs/dbraw/zinc/14/06/24/1137140624.db2.gz UXAGAZNDUUNOOG-BBRMVZONSA-N 2 1 345.314 3.879 20 0 EHADMP Fc1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984437 1137164350 /nfs/dbraw/zinc/16/43/50/1137164350.db2.gz LEQFGUQRKGRFJW-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP Fc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984437 1137164351 /nfs/dbraw/zinc/16/43/51/1137164351.db2.gz LEQFGUQRKGRFJW-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP Fc1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984437 1137164352 /nfs/dbraw/zinc/16/43/52/1137164352.db2.gz LEQFGUQRKGRFJW-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP Fc1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984437 1137164353 /nfs/dbraw/zinc/16/43/53/1137164353.db2.gz LEQFGUQRKGRFJW-KDURUIRLSA-N 2 1 349.453 3.871 20 0 EHADMP Cc1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1C(F)(F)F ZINC001143916523 1137214657 /nfs/dbraw/zinc/21/46/57/1137214657.db2.gz BTQUVEUKFCXARJ-UHFFFAOYSA-N 2 1 335.373 3.731 20 0 EHADMP Cc1c(O)cccc1C[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001144120772 1137240852 /nfs/dbraw/zinc/24/08/52/1137240852.db2.gz SZTSUAXNSZMGFU-UHFFFAOYSA-N 2 1 342.458 3.936 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)Cc1[nH+]cn2ccccc12 ZINC001144625809 1137318125 /nfs/dbraw/zinc/31/81/25/1137318125.db2.gz UTMWIINGIIAXQU-AVRDEDQJSA-N 2 1 348.494 3.677 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)Cc1[nH+]cn2ccccc12 ZINC001144625809 1137318127 /nfs/dbraw/zinc/31/81/27/1137318127.db2.gz UTMWIINGIIAXQU-AVRDEDQJSA-N 2 1 348.494 3.677 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866240410 1137338239 /nfs/dbraw/zinc/33/82/39/1137338239.db2.gz DZQDQVLILRUUTE-ZWKOTPCHSA-N 2 1 325.500 3.877 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866250315 1137339278 /nfs/dbraw/zinc/33/92/78/1137339278.db2.gz YINOVCUIFGAJHX-SIKLNZKXSA-N 2 1 337.511 3.905 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000846218867 1137342262 /nfs/dbraw/zinc/34/22/62/1137342262.db2.gz ZXWNQVJPZCSOCQ-INIZCTEOSA-N 2 1 346.450 3.574 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866281238 1137342409 /nfs/dbraw/zinc/34/24/09/1137342409.db2.gz GDOXNEJAGFCPDG-JQVVWYNYSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866281238 1137342412 /nfs/dbraw/zinc/34/24/12/1137342412.db2.gz GDOXNEJAGFCPDG-JQVVWYNYSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866337109 1137346960 /nfs/dbraw/zinc/34/69/60/1137346960.db2.gz ORJGCSAZKHJSQI-XQBPLPMBSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC000846698548 1137362125 /nfs/dbraw/zinc/36/21/25/1137362125.db2.gz IUGLWILUOVNTOJ-QAPCUYQASA-N 2 1 328.431 3.716 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171359036 1137456883 /nfs/dbraw/zinc/45/68/83/1137456883.db2.gz YGIFFYDWGVQVBP-KZNAEPCWSA-N 2 1 334.454 3.804 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@H](C)C1 ZINC000339095012 1137467485 /nfs/dbraw/zinc/46/74/85/1137467485.db2.gz CTGSYGXWTZCWJT-UTKZUKDTSA-N 2 1 347.547 3.740 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@H](C)C1 ZINC000339095012 1137467486 /nfs/dbraw/zinc/46/74/86/1137467486.db2.gz CTGSYGXWTZCWJT-UTKZUKDTSA-N 2 1 347.547 3.740 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc1 ZINC000773140987 1137468922 /nfs/dbraw/zinc/46/89/22/1137468922.db2.gz WJDNXJRWCWGLCW-CEXWTWQISA-N 2 1 348.581 3.620 20 0 EHADMP CS[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716635324 1137487860 /nfs/dbraw/zinc/48/78/60/1137487860.db2.gz FHQMEITZNRZDQH-LJDSDSDDSA-N 2 1 330.541 3.913 20 0 EHADMP Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716668320 1137488150 /nfs/dbraw/zinc/48/81/50/1137488150.db2.gz IVXPKDJNOLOLIW-DPZWOIPNSA-N 2 1 339.483 3.995 20 0 EHADMP Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716668320 1137488151 /nfs/dbraw/zinc/48/81/51/1137488151.db2.gz IVXPKDJNOLOLIW-DPZWOIPNSA-N 2 1 339.483 3.995 20 0 EHADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171524684 1137496461 /nfs/dbraw/zinc/49/64/61/1137496461.db2.gz NBUGVQMAOZNZEG-KKUMJFAQSA-N 2 1 340.433 3.942 20 0 EHADMP Cc1cccc2c1CC[C@H]([N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558522 1137497852 /nfs/dbraw/zinc/49/78/52/1137497852.db2.gz KZQUXGVICFCNQP-ZJOUEHCJSA-N 2 1 342.527 3.603 20 0 EHADMP C[NH+]1C(C)(C)CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171617264 1137501102 /nfs/dbraw/zinc/50/11/02/1137501102.db2.gz JAFYNOOMTNIHOS-GOSISDBHSA-N 2 1 329.532 3.502 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC001171617264 1137501104 /nfs/dbraw/zinc/50/11/04/1137501104.db2.gz JAFYNOOMTNIHOS-GOSISDBHSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1ccc(CC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])cc1 ZINC001171663811 1137502320 /nfs/dbraw/zinc/50/23/20/1137502320.db2.gz ORXUEPHZWXXYMK-SFHVURJKSA-N 3 1 333.564 3.791 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171909368 1137517793 /nfs/dbraw/zinc/51/77/93/1137517793.db2.gz JTPGIDOTUOAQJU-UHFFFAOYSA-N 2 1 326.525 3.599 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171909368 1137517795 /nfs/dbraw/zinc/51/77/95/1137517795.db2.gz JTPGIDOTUOAQJU-UHFFFAOYSA-N 2 1 326.525 3.599 20 0 EHADMP COc1ccc(C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC001171911453 1137518048 /nfs/dbraw/zinc/51/80/48/1137518048.db2.gz MZBXMCVYGCMWNZ-UHFFFAOYSA-N 2 1 339.483 3.708 20 0 EHADMP COc1ccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC001171911453 1137518050 /nfs/dbraw/zinc/51/80/50/1137518050.db2.gz MZBXMCVYGCMWNZ-UHFFFAOYSA-N 2 1 339.483 3.708 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962052 1137519674 /nfs/dbraw/zinc/51/96/74/1137519674.db2.gz BDGOBROHILLFEP-NRFANRHFSA-N 3 1 343.559 3.895 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001171962052 1137519675 /nfs/dbraw/zinc/51/96/75/1137519675.db2.gz BDGOBROHILLFEP-NRFANRHFSA-N 2 1 343.559 3.895 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001171963923 1137519988 /nfs/dbraw/zinc/51/99/88/1137519988.db2.gz HREROJVPBRHMGG-IAOVAPTHSA-N 2 1 326.406 3.520 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965035 1137520365 /nfs/dbraw/zinc/52/03/65/1137520365.db2.gz NOYYVFDDBWXIDV-LEWJYISDSA-N 2 1 338.495 3.753 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171965035 1137520366 /nfs/dbraw/zinc/52/03/66/1137520366.db2.gz NOYYVFDDBWXIDV-LEWJYISDSA-N 2 1 338.495 3.753 20 0 EHADMP CC1(C)C[C@@H](N2CCC([NH+]3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171991028 1137522914 /nfs/dbraw/zinc/52/29/14/1137522914.db2.gz QKBMPRUQQDQDIJ-NRFANRHFSA-N 2 1 341.543 3.600 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171972069 1137524040 /nfs/dbraw/zinc/52/40/40/1137524040.db2.gz NFTJMUSECUBWQG-IOJLRTSASA-N 2 1 330.516 3.977 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976715 1137525211 /nfs/dbraw/zinc/52/52/11/1137525211.db2.gz MVUIPBVIABDUKV-QFUCXCTJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976715 1137525213 /nfs/dbraw/zinc/52/52/13/1137525213.db2.gz MVUIPBVIABDUKV-QFUCXCTJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976715 1137525215 /nfs/dbraw/zinc/52/52/15/1137525215.db2.gz MVUIPBVIABDUKV-QFUCXCTJSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@](C)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977606 1137525830 /nfs/dbraw/zinc/52/58/30/1137525830.db2.gz RXOQODWXSQOBGB-RBBKRZOGSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977606 1137525832 /nfs/dbraw/zinc/52/58/32/1137525832.db2.gz RXOQODWXSQOBGB-RBBKRZOGSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977606 1137525833 /nfs/dbraw/zinc/52/58/33/1137525833.db2.gz RXOQODWXSQOBGB-RBBKRZOGSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@](O)(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977364 1137526145 /nfs/dbraw/zinc/52/61/45/1137526145.db2.gz QOKGOBMVOZHNBR-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977364 1137526147 /nfs/dbraw/zinc/52/61/47/1137526147.db2.gz QOKGOBMVOZHNBR-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977364 1137526149 /nfs/dbraw/zinc/52/61/49/1137526149.db2.gz QOKGOBMVOZHNBR-TZIWHRDSSA-N 2 1 348.506 3.616 20 0 EHADMP C[N@H+]1CCC[C@](C)(N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980905 1137526725 /nfs/dbraw/zinc/52/67/25/1137526725.db2.gz YEPGNTPDXLHMDZ-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980905 1137526727 /nfs/dbraw/zinc/52/67/27/1137526727.db2.gz YEPGNTPDXLHMDZ-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@](C)(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980905 1137526729 /nfs/dbraw/zinc/52/67/29/1137526729.db2.gz YEPGNTPDXLHMDZ-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980905 1137526730 /nfs/dbraw/zinc/52/67/30/1137526730.db2.gz YEPGNTPDXLHMDZ-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@](C)([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980905 1137526732 /nfs/dbraw/zinc/52/67/32/1137526732.db2.gz YEPGNTPDXLHMDZ-CTNGQTDRSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171983015 1137526903 /nfs/dbraw/zinc/52/69/03/1137526903.db2.gz LXRSSLGXJHQLHR-MOPGFXCFSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC3(C2)CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC001171985778 1137527484 /nfs/dbraw/zinc/52/74/84/1137527484.db2.gz ZQWWILJJDBEIQQ-FQEVSTJZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC3(C2)CCOCC3)CC[NH+]1Cc1ccccc1 ZINC001171985778 1137527486 /nfs/dbraw/zinc/52/74/86/1137527486.db2.gz ZQWWILJJDBEIQQ-FQEVSTJZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC3(C2)CCOCC3)CC[NH+]1Cc1ccccc1 ZINC001171985778 1137527487 /nfs/dbraw/zinc/52/74/87/1137527487.db2.gz ZQWWILJJDBEIQQ-FQEVSTJZSA-N 2 1 342.527 3.932 20 0 EHADMP CC[N@H+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076899 1137530388 /nfs/dbraw/zinc/53/03/88/1137530388.db2.gz AUQVGUYWGIBYTM-ACDBMABISA-N 2 1 330.516 3.665 20 0 EHADMP CC[N@@H+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076899 1137530390 /nfs/dbraw/zinc/53/03/90/1137530390.db2.gz AUQVGUYWGIBYTM-ACDBMABISA-N 2 1 330.516 3.665 20 0 EHADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076899 1137530392 /nfs/dbraw/zinc/53/03/92/1137530392.db2.gz AUQVGUYWGIBYTM-ACDBMABISA-N 2 1 330.516 3.665 20 0 EHADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076899 1137530394 /nfs/dbraw/zinc/53/03/94/1137530394.db2.gz AUQVGUYWGIBYTM-ACDBMABISA-N 2 1 330.516 3.665 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC001172079964 1137530823 /nfs/dbraw/zinc/53/08/23/1137530823.db2.gz RLMJONJRCPVOHM-BWUHRYBWSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCc1cncc(C(F)(F)F)c1)C2 ZINC001172101185 1137532174 /nfs/dbraw/zinc/53/21/74/1137532174.db2.gz XGWYQORFPVSRMM-OSYLJGHBSA-N 2 1 341.421 3.638 20 0 EHADMP C[C@@H](C[NH+]1CCCC1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062706 1137533124 /nfs/dbraw/zinc/53/31/24/1137533124.db2.gz QUULFEXRMZYQMW-UVUJQTEASA-N 2 1 341.543 3.646 20 0 EHADMP Fc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063577 1137533256 /nfs/dbraw/zinc/53/32/56/1137533256.db2.gz BXNLBLZOGQQAIH-MZADTFQBSA-N 2 1 339.458 3.896 20 0 EHADMP Fc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172063577 1137533257 /nfs/dbraw/zinc/53/32/57/1137533257.db2.gz BXNLBLZOGQQAIH-MZADTFQBSA-N 2 1 339.458 3.896 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068810 1137534163 /nfs/dbraw/zinc/53/41/63/1137534163.db2.gz LCCJKCABWNWATI-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068810 1137534164 /nfs/dbraw/zinc/53/41/64/1137534164.db2.gz LCCJKCABWNWATI-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068810 1137534166 /nfs/dbraw/zinc/53/41/66/1137534166.db2.gz LCCJKCABWNWATI-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@]1(C)O ZINC001172068810 1137534168 /nfs/dbraw/zinc/53/41/68/1137534168.db2.gz LCCJKCABWNWATI-ICGSVKGVSA-N 2 1 342.527 3.665 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127523 1137534839 /nfs/dbraw/zinc/53/48/39/1137534839.db2.gz JFULAIVDVWGISK-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172127523 1137534840 /nfs/dbraw/zinc/53/48/40/1137534840.db2.gz JFULAIVDVWGISK-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172127523 1137534841 /nfs/dbraw/zinc/53/48/41/1137534841.db2.gz JFULAIVDVWGISK-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP COc1cccc(C[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172127523 1137534842 /nfs/dbraw/zinc/53/48/42/1137534842.db2.gz JFULAIVDVWGISK-MXEMCNAFSA-N 2 1 342.527 3.965 20 0 EHADMP OC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069912 1137535235 /nfs/dbraw/zinc/53/52/35/1137535235.db2.gz VTPIMUQAQZPGOC-CZYKHXBRSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069912 1137535237 /nfs/dbraw/zinc/53/52/37/1137535237.db2.gz VTPIMUQAQZPGOC-CZYKHXBRSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069912 1137535238 /nfs/dbraw/zinc/53/52/38/1137535238.db2.gz VTPIMUQAQZPGOC-CZYKHXBRSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069912 1137535240 /nfs/dbraw/zinc/53/52/40/1137535240.db2.gz VTPIMUQAQZPGOC-CZYKHXBRSA-N 2 1 342.527 3.667 20 0 EHADMP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108025 1137537135 /nfs/dbraw/zinc/53/71/35/1137537135.db2.gz NXROTIRTSFUTHW-BGTYHANMSA-N 2 1 341.499 3.727 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001172113789 1137537767 /nfs/dbraw/zinc/53/77/67/1137537767.db2.gz MJVCSKKHBJXFOZ-ADHGMGHFSA-N 2 1 349.316 3.910 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001172113789 1137537769 /nfs/dbraw/zinc/53/77/69/1137537769.db2.gz MJVCSKKHBJXFOZ-ADHGMGHFSA-N 2 1 349.316 3.910 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111480 1137537832 /nfs/dbraw/zinc/53/78/32/1137537832.db2.gz RPSXDRTVMCGVFZ-YYIAUSFCSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111480 1137537834 /nfs/dbraw/zinc/53/78/34/1137537834.db2.gz RPSXDRTVMCGVFZ-YYIAUSFCSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113986 1137538448 /nfs/dbraw/zinc/53/84/48/1137538448.db2.gz NHGYZWDZRDNRGH-MUJYYYPQSA-N 2 1 341.421 3.590 20 0 EHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113986 1137538449 /nfs/dbraw/zinc/53/84/49/1137538449.db2.gz NHGYZWDZRDNRGH-MUJYYYPQSA-N 2 1 341.421 3.590 20 0 EHADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113986 1137538450 /nfs/dbraw/zinc/53/84/50/1137538450.db2.gz NHGYZWDZRDNRGH-MUJYYYPQSA-N 2 1 341.421 3.590 20 0 EHADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113986 1137538451 /nfs/dbraw/zinc/53/84/51/1137538451.db2.gz NHGYZWDZRDNRGH-MUJYYYPQSA-N 2 1 341.421 3.590 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001172117950 1137538588 /nfs/dbraw/zinc/53/85/88/1137538588.db2.gz SUFRKTCZBQPLLO-QMFSVNIWSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001172117950 1137538590 /nfs/dbraw/zinc/53/85/90/1137538590.db2.gz SUFRKTCZBQPLLO-QMFSVNIWSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@H]3OCC1CC1)C2 ZINC001172117950 1137538591 /nfs/dbraw/zinc/53/85/91/1137538591.db2.gz SUFRKTCZBQPLLO-QMFSVNIWSA-N 2 1 332.532 3.529 20 0 EHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C)c(C(F)(F)F)c2)CC1 ZINC001172247143 1137544474 /nfs/dbraw/zinc/54/44/74/1137544474.db2.gz GZLZNMULHDFMSG-UHFFFAOYSA-N 2 1 344.421 3.604 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC001172253065 1137544666 /nfs/dbraw/zinc/54/46/66/1137544666.db2.gz AWRZFUXIYHNCFM-UHFFFAOYSA-N 2 1 348.506 3.581 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172330130 1137551029 /nfs/dbraw/zinc/55/10/29/1137551029.db2.gz MAGMDLDSSBWCIA-KIZRIRGWSA-N 2 1 344.543 3.952 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172330130 1137551031 /nfs/dbraw/zinc/55/10/31/1137551031.db2.gz MAGMDLDSSBWCIA-KIZRIRGWSA-N 2 1 344.543 3.952 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001172330130 1137551033 /nfs/dbraw/zinc/55/10/33/1137551033.db2.gz MAGMDLDSSBWCIA-KIZRIRGWSA-N 2 1 344.543 3.952 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCC2 ZINC000872017688 1137564680 /nfs/dbraw/zinc/56/46/80/1137564680.db2.gz DBUNGEFZCSDGQG-IBGZPJMESA-N 2 1 344.499 3.688 20 0 EHADMP COc1ccccc1-c1nc(C[N@@H+](C)CCCCCC[NH3+])cs1 ZINC000872155040 1137574109 /nfs/dbraw/zinc/57/41/09/1137574109.db2.gz AIHCORCWAYAFBG-UHFFFAOYSA-N 2 1 333.501 3.770 20 0 EHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1)C1CCCC1 ZINC000872156721 1137574324 /nfs/dbraw/zinc/57/43/24/1137574324.db2.gz LMAXHVMKRMETLX-IUODEOHRSA-N 2 1 327.925 3.916 20 0 EHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1)C1CCCC1 ZINC000872157208 1137574355 /nfs/dbraw/zinc/57/43/55/1137574355.db2.gz NOIZDPNRYQNGME-DOTOQJQBSA-N 2 1 331.504 3.673 20 0 EHADMP c1c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)sc2c1C[NH2+]CC2 ZINC000873203963 1137593899 /nfs/dbraw/zinc/59/38/99/1137593899.db2.gz VAJOZXAOJGUTMH-GOSISDBHSA-N 2 1 342.508 3.575 20 0 EHADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000873283040 1137596370 /nfs/dbraw/zinc/59/63/70/1137596370.db2.gz MTBWRNMUFJZBKN-HZSPNIEDSA-N 2 1 347.812 3.764 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876893592 1137664628 /nfs/dbraw/zinc/66/46/28/1137664628.db2.gz GIMIDXFEPNZYKW-UYAOXDASSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc4c(F)cccc4c3)C2)CC1 ZINC000877528971 1137679759 /nfs/dbraw/zinc/67/97/59/1137679759.db2.gz OXJABMIPCUENNE-GOSISDBHSA-N 2 1 327.447 3.538 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3COC4(CCC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000877628673 1137683429 /nfs/dbraw/zinc/68/34/29/1137683429.db2.gz LTOZQBOQSGSJDQ-BJLQDIEVSA-N 2 1 326.484 3.656 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3COC4(CCC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000877628673 1137683430 /nfs/dbraw/zinc/68/34/30/1137683430.db2.gz LTOZQBOQSGSJDQ-BJLQDIEVSA-N 2 1 326.484 3.656 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878157390 1137705089 /nfs/dbraw/zinc/70/50/89/1137705089.db2.gz ZVFVWTSHAKPTCO-TYPHKJRUSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878157390 1137705090 /nfs/dbraw/zinc/70/50/90/1137705090.db2.gz ZVFVWTSHAKPTCO-TYPHKJRUSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878157390 1137705091 /nfs/dbraw/zinc/70/50/91/1137705091.db2.gz ZVFVWTSHAKPTCO-TYPHKJRUSA-N 2 1 328.500 3.570 20 0 EHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878522775 1137718855 /nfs/dbraw/zinc/71/88/55/1137718855.db2.gz RSYQMMLRUOBMKA-INIZCTEOSA-N 2 1 332.488 3.827 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(Cl)ccc1Cl)CC2 ZINC000879249980 1137742518 /nfs/dbraw/zinc/74/25/18/1137742518.db2.gz IKHKPLHEXAJCCD-UHFFFAOYSA-N 2 1 328.287 3.696 20 0 EHADMP Cc1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)nc2ccccc12 ZINC000879704050 1137755824 /nfs/dbraw/zinc/75/58/24/1137755824.db2.gz JPMJDTNUEPZNJK-UHFFFAOYSA-N 2 1 340.515 3.738 20 0 EHADMP COc1ccccc1[C@H]1CSCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000880175641 1137769844 /nfs/dbraw/zinc/76/98/44/1137769844.db2.gz BXJSUCKGZCKFRT-GOSISDBHSA-N 2 1 345.512 3.542 20 0 EHADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000880175641 1137769845 /nfs/dbraw/zinc/76/98/45/1137769845.db2.gz BXJSUCKGZCKFRT-GOSISDBHSA-N 2 1 345.512 3.542 20 0 EHADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000880476087 1137779863 /nfs/dbraw/zinc/77/98/63/1137779863.db2.gz NGTASQRYUVWAPL-VQTJNVASSA-N 2 1 328.500 3.857 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1sccc1Cl ZINC000883190451 1137847838 /nfs/dbraw/zinc/84/78/38/1137847838.db2.gz CSFUJSKNUAVLPJ-CJNGLKHVSA-N 2 1 342.936 3.943 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC000883367914 1137857789 /nfs/dbraw/zinc/85/77/89/1137857789.db2.gz APDNMKNGFCSGJV-YSGRDPCXSA-N 2 1 325.456 3.933 20 0 EHADMP c1c(-c2ccccc2)n[nH]c1[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447635 1137860830 /nfs/dbraw/zinc/86/08/30/1137860830.db2.gz HJMNVIRBJRYDOL-LJQANCHMSA-N 2 1 338.499 3.646 20 0 EHADMP c1c(-c2ccccc2)[nH]nc1[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447635 1137860831 /nfs/dbraw/zinc/86/08/31/1137860831.db2.gz HJMNVIRBJRYDOL-LJQANCHMSA-N 2 1 338.499 3.646 20 0 EHADMP c1c(-c2ccccc2)[nH]nc1[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447635 1137860832 /nfs/dbraw/zinc/86/08/32/1137860832.db2.gz HJMNVIRBJRYDOL-LJQANCHMSA-N 2 1 338.499 3.646 20 0 EHADMP C[C@H]1C[C@H](c2ccccc2)CCN1Cc1ncc(CN(C)C)s1 ZINC000348291134 1137903849 /nfs/dbraw/zinc/90/38/49/1137903849.db2.gz STMUCBTWZDLVEU-DOTOQJQBSA-N 2 1 329.513 3.973 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331703524 1137917594 /nfs/dbraw/zinc/91/75/94/1137917594.db2.gz ZEANBFXSAPEORT-CLCXKQKWSA-N 2 1 347.478 3.676 20 0 EHADMP NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000332530337 1137946403 /nfs/dbraw/zinc/94/64/03/1137946403.db2.gz PTEGEEKRKJCRGR-APWZRJJASA-N 2 1 347.478 3.516 20 0 EHADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000348367272 1138052631 /nfs/dbraw/zinc/05/26/31/1138052631.db2.gz CSSKCQIFMNFUTI-ZCNNSNEGSA-N 2 1 330.516 3.558 20 0 EHADMP Cc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc(C)n1 ZINC000886626436 1138103536 /nfs/dbraw/zinc/10/35/36/1138103536.db2.gz BLRUYXVLVVAYBK-FKBYEOEOSA-N 2 1 335.495 3.841 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886628128 1138103618 /nfs/dbraw/zinc/10/36/18/1138103618.db2.gz GUCHTMVWNXAGNN-HGJUEJDCSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1(F)F ZINC000886638476 1138104342 /nfs/dbraw/zinc/10/43/42/1138104342.db2.gz VOFXXYQROOQLCW-MHORFTMASA-N 2 1 334.454 3.920 20 0 EHADMP O[C@@H](CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000886650078 1138106861 /nfs/dbraw/zinc/10/68/61/1138106861.db2.gz PEDKATICLPFQSQ-FKVLARQCSA-N 2 1 342.527 3.570 20 0 EHADMP c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000886818588 1138148842 /nfs/dbraw/zinc/14/88/42/1138148842.db2.gz HGPULTILXJWQDH-RTWAWAEBSA-N 2 1 328.500 3.673 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000089515641 1138200600 /nfs/dbraw/zinc/20/06/00/1138200600.db2.gz WPBFQDUMWKFBGQ-VQHPVUNQSA-N 2 1 336.545 3.742 20 0 EHADMP Cc1sc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1-c1ccccc1 ZINC000090400065 1138210325 /nfs/dbraw/zinc/21/03/25/1138210325.db2.gz QHJIMPZHOBDYAM-MPGHIAIKSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1sc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc1-c1ccccc1 ZINC000090400072 1138210491 /nfs/dbraw/zinc/21/04/91/1138210491.db2.gz QHJIMPZHOBDYAM-DAYGRLMNSA-N 2 1 343.540 3.979 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742189 1138240412 /nfs/dbraw/zinc/24/04/12/1138240412.db2.gz WOGQUGAXEGPSFI-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742189 1138240414 /nfs/dbraw/zinc/24/04/14/1138240414.db2.gz WOGQUGAXEGPSFI-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742189 1138240416 /nfs/dbraw/zinc/24/04/16/1138240416.db2.gz WOGQUGAXEGPSFI-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093742189 1138240418 /nfs/dbraw/zinc/24/04/18/1138240418.db2.gz WOGQUGAXEGPSFI-KRWDZBQOSA-N 2 1 326.488 3.549 20 0 EHADMP COc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)CCCO2 ZINC000125744105 1138315121 /nfs/dbraw/zinc/31/51/21/1138315121.db2.gz IOSFFSNACCEJJL-VQIMIIECSA-N 2 1 332.488 3.619 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000125744105 1138315122 /nfs/dbraw/zinc/31/51/22/1138315122.db2.gz IOSFFSNACCEJJL-VQIMIIECSA-N 2 1 332.488 3.619 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CCCO2 ZINC000125744105 1138315124 /nfs/dbraw/zinc/31/51/24/1138315124.db2.gz IOSFFSNACCEJJL-VQIMIIECSA-N 2 1 332.488 3.619 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cn1 ZINC000126310072 1138328409 /nfs/dbraw/zinc/32/84/09/1138328409.db2.gz VWADVTHVRLFBGE-FQEVSTJZSA-N 2 1 332.451 3.687 20 0 EHADMP c1nc(-c2ccccc2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000263833966 1138376811 /nfs/dbraw/zinc/37/68/11/1138376811.db2.gz ACCSPFPAVRAEIO-UHFFFAOYSA-N 2 1 327.497 3.917 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OCC(F)(F)F)c1 ZINC000337275010 1138516425 /nfs/dbraw/zinc/51/64/25/1138516425.db2.gz QCGHTNGAADQABS-UHFFFAOYSA-N 2 1 330.394 3.545 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OCC(F)(F)F)c1 ZINC000337275010 1138516428 /nfs/dbraw/zinc/51/64/28/1138516428.db2.gz QCGHTNGAADQABS-UHFFFAOYSA-N 2 1 330.394 3.545 20 0 EHADMP Cc1[nH+]ccn1CCCNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000337827397 1138677071 /nfs/dbraw/zinc/67/70/71/1138677071.db2.gz UGGCRNVMSJVZCV-UHFFFAOYSA-N 2 1 346.381 3.574 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cncs1 ZINC000136210930 1138790604 /nfs/dbraw/zinc/79/06/04/1138790604.db2.gz JUORQQGVMQWNNH-UHFFFAOYSA-N 2 1 327.453 3.658 20 0 EHADMP Cc1ccc2c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)ccc(O)c2n1 ZINC000338233705 1138796574 /nfs/dbraw/zinc/79/65/74/1138796574.db2.gz CZSKXJGYKKTOBT-UHFFFAOYSA-N 2 1 327.472 3.553 20 0 EHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151371283 1139027572 /nfs/dbraw/zinc/02/75/72/1139027572.db2.gz MNOWWCZICRCXPG-MRXNPFEDSA-N 2 1 336.545 3.685 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000174531977 1139426834 /nfs/dbraw/zinc/42/68/34/1139426834.db2.gz HTFBITFBHZFSLY-UHFFFAOYSA-N 2 1 343.515 3.731 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC(F)F ZINC000174628353 1139431917 /nfs/dbraw/zinc/43/19/17/1139431917.db2.gz PCZRXNUUQCXVQT-UKRRQHHQSA-N 2 1 342.430 3.507 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC(F)F ZINC000174628353 1139431920 /nfs/dbraw/zinc/43/19/20/1139431920.db2.gz PCZRXNUUQCXVQT-UKRRQHHQSA-N 2 1 342.430 3.507 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1O ZINC000178409641 1139692610 /nfs/dbraw/zinc/69/26/10/1139692610.db2.gz ICHXLHIEEMRPKZ-QAPCUYQASA-N 2 1 332.488 3.534 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000178695638 1139712759 /nfs/dbraw/zinc/71/27/59/1139712759.db2.gz USJHIRMMMZOSRC-CQSZACIVSA-N 2 1 328.435 3.552 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178697213 1139712815 /nfs/dbraw/zinc/71/28/15/1139712815.db2.gz ZXSMCJJJXHMOEZ-DZGCQCFKSA-N 2 1 331.460 3.504 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178697188 1139713025 /nfs/dbraw/zinc/71/30/25/1139713025.db2.gz ZXSMCJJJXHMOEZ-UKRRQHHQSA-N 2 1 331.460 3.504 20 0 EHADMP C[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180136564 1139812457 /nfs/dbraw/zinc/81/24/57/1139812457.db2.gz GGFOOMFZWQEWNR-FRIKZZABSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000180136564 1139812459 /nfs/dbraw/zinc/81/24/59/1139812459.db2.gz GGFOOMFZWQEWNR-FRIKZZABSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180148095 1139814205 /nfs/dbraw/zinc/81/42/05/1139814205.db2.gz HVKDIKVCECYVOY-OHSMVPPVSA-N 2 1 330.516 3.569 20 0 EHADMP Cc1sc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000181307196 1139899297 /nfs/dbraw/zinc/89/92/97/1139899297.db2.gz URJSLNJMPUKUMY-PBHICJAKSA-N 2 1 329.513 3.733 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000183192534 1140020096 /nfs/dbraw/zinc/02/00/96/1140020096.db2.gz CFPBUTCDFNYMJK-JTDSTZFVSA-N 2 1 343.515 3.949 20 0 EHADMP CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000186347849 1140199666 /nfs/dbraw/zinc/19/96/66/1140199666.db2.gz WULBXSUMBFMPTQ-LJQANCHMSA-N 2 1 344.499 3.782 20 0 EHADMP CC1(C)OCc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000186347849 1140199668 /nfs/dbraw/zinc/19/96/68/1140199668.db2.gz WULBXSUMBFMPTQ-LJQANCHMSA-N 2 1 344.499 3.782 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000187770987 1140270807 /nfs/dbraw/zinc/27/08/07/1140270807.db2.gz QCWAHTIRGMCSRZ-FUHWJXTLSA-N 2 1 338.499 3.868 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2ccccc2s1 ZINC000187968162 1140278137 /nfs/dbraw/zinc/27/81/37/1140278137.db2.gz PKDAJJZQZAJNPN-INIZCTEOSA-N 2 1 331.529 3.580 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CCS2 ZINC000191510164 1140468012 /nfs/dbraw/zinc/46/80/12/1140468012.db2.gz IZTNTXNUFUIHEQ-SUMWQHHRSA-N 2 1 331.485 3.663 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771966 1140988265 /nfs/dbraw/zinc/98/82/65/1140988265.db2.gz FIHLTWSQMQWHSJ-BVYCBKJFSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771966 1140988271 /nfs/dbraw/zinc/98/82/71/1140988271.db2.gz FIHLTWSQMQWHSJ-BVYCBKJFSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771973 1140988333 /nfs/dbraw/zinc/98/83/33/1140988333.db2.gz FIHLTWSQMQWHSJ-YUXAGFNASA-N 2 1 338.495 3.671 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771973 1140988338 /nfs/dbraw/zinc/98/83/38/1140988338.db2.gz FIHLTWSQMQWHSJ-YUXAGFNASA-N 2 1 338.495 3.671 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837871 1141004033 /nfs/dbraw/zinc/00/40/33/1141004033.db2.gz QBNQHLKPEUHCAZ-ICSRJNTNSA-N 2 1 348.494 3.537 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837871 1141004036 /nfs/dbraw/zinc/00/40/36/1141004036.db2.gz QBNQHLKPEUHCAZ-ICSRJNTNSA-N 2 1 348.494 3.537 20 0 EHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000268878609 1141016566 /nfs/dbraw/zinc/01/65/66/1141016566.db2.gz AJBSANKAKMCIJB-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1cccc(C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)c1 ZINC000268916241 1141024601 /nfs/dbraw/zinc/02/46/01/1141024601.db2.gz VDQPWDFZLAFZNT-NRFANRHFSA-N 2 1 342.527 3.551 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000269731662 1141139662 /nfs/dbraw/zinc/13/96/62/1141139662.db2.gz YFASNTGBBKFGNJ-IBGZPJMESA-N 2 1 347.890 3.681 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000270414786 1141219900 /nfs/dbraw/zinc/21/99/00/1141219900.db2.gz CXAYYJZFLFENRZ-KRWDZBQOSA-N 2 1 326.484 3.870 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000271440644 1141367484 /nfs/dbraw/zinc/36/74/84/1141367484.db2.gz CICZGEISFQLWED-YJBOKZPZSA-N 2 1 325.456 3.933 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2conc2Cc2ccccc2)c1 ZINC000339179021 1141519492 /nfs/dbraw/zinc/51/94/92/1141519492.db2.gz FPYPGQWJSSLTLM-UHFFFAOYSA-N 2 1 335.451 3.617 20 0 EHADMP CCc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000339194734 1141524590 /nfs/dbraw/zinc/52/45/90/1141524590.db2.gz YACIXQQIEVAFDW-QFIPXVFZSA-N 2 1 335.495 3.742 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)ccn1 ZINC000348686256 1141566523 /nfs/dbraw/zinc/56/65/23/1141566523.db2.gz SCHFMPDCNGUMAF-TXPKVOOTSA-N 2 1 331.504 3.784 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000283267858 1141581229 /nfs/dbraw/zinc/58/12/29/1141581229.db2.gz LALKYIRRGHCRRU-RXVVDRJESA-N 2 1 347.522 3.625 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000020189059 212109860 /nfs/dbraw/zinc/10/98/60/212109860.db2.gz LXIOCOUNMUUYTG-CYBMUJFWSA-N 2 1 325.294 3.973 20 0 EHADMP Brc1cccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000037648914 518220831 /nfs/dbraw/zinc/22/08/31/518220831.db2.gz HHYSUSMCZGHGSC-BZOOQXSSSA-N 2 1 349.316 3.769 20 0 EHADMP c1cc2c(cc[nH+]c2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC001164626441 719057448 /nfs/dbraw/zinc/05/74/48/719057448.db2.gz RBNBMZZDAPVOMW-PXNSSMCTSA-N 2 1 332.451 3.664 20 0 EHADMP C[N@@H+](Cc1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1)C1CC1 ZINC001165050468 721976693 /nfs/dbraw/zinc/97/66/93/721976693.db2.gz YJYPFGQLEHKKLQ-HXUWFJFHSA-N 2 1 342.531 3.521 20 0 EHADMP Cc1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]c1C ZINC001164952919 722016417 /nfs/dbraw/zinc/01/64/17/722016417.db2.gz OVFLOOFZJSXTJK-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904476968 1032073374 /nfs/dbraw/zinc/07/33/74/1032073374.db2.gz VNQQDDWMBKMDQU-MJGOQNOKSA-N 2 1 346.833 3.825 20 0 EHADMP CC[N@@H+](Cc1cc(C)c(Br)s1)[C@H]1CCC[NH2+]CC1 ZINC000414718286 1028199969 /nfs/dbraw/zinc/19/99/69/1028199969.db2.gz REVOCKGESADPBJ-LBPRGKRZSA-N 2 1 331.323 3.783 20 0 EHADMP COc1cc(F)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405640 1014259403 /nfs/dbraw/zinc/25/94/03/1014259403.db2.gz ZJGIKECVOPKBSG-OXQOHEQNSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405640 1014259413 /nfs/dbraw/zinc/25/94/13/1014259413.db2.gz ZJGIKECVOPKBSG-OXQOHEQNSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405640 1014259423 /nfs/dbraw/zinc/25/94/23/1014259423.db2.gz ZJGIKECVOPKBSG-OXQOHEQNSA-N 2 1 342.458 3.977 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000312405640 1014259433 /nfs/dbraw/zinc/25/94/33/1014259433.db2.gz ZJGIKECVOPKBSG-OXQOHEQNSA-N 2 1 342.458 3.977 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430146837 1014400546 /nfs/dbraw/zinc/40/05/46/1014400546.db2.gz MQRQQQFBIGJEHS-ILCZHQDMSA-N 2 1 336.426 3.719 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430146837 1014400552 /nfs/dbraw/zinc/40/05/52/1014400552.db2.gz MQRQQQFBIGJEHS-ILCZHQDMSA-N 2 1 336.426 3.719 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430146837 1014400556 /nfs/dbraw/zinc/40/05/56/1014400556.db2.gz MQRQQQFBIGJEHS-ILCZHQDMSA-N 2 1 336.426 3.719 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cccn2)c(F)c1 ZINC000339428304 1014408051 /nfs/dbraw/zinc/40/80/51/1014408051.db2.gz GBIKGZQCIRQOLG-INIZCTEOSA-N 2 1 330.451 3.538 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000246851988 1014433831 /nfs/dbraw/zinc/43/38/31/1014433831.db2.gz CPBYKLYKOLZNDO-NVXWUHKLSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000246851988 1014433832 /nfs/dbraw/zinc/43/38/32/1014433832.db2.gz CPBYKLYKOLZNDO-NVXWUHKLSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000246851988 1014433839 /nfs/dbraw/zinc/43/38/39/1014433839.db2.gz CPBYKLYKOLZNDO-NVXWUHKLSA-N 2 1 327.497 3.744 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000530460302 1014581498 /nfs/dbraw/zinc/58/14/98/1014581498.db2.gz JILRCBVWKSDFJO-NRFANRHFSA-N 2 1 333.479 3.796 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)sc2C1 ZINC000339514321 1014631093 /nfs/dbraw/zinc/63/10/93/1014631093.db2.gz ZHBUMTUQKXEPQT-SJORKVTESA-N 2 1 341.524 3.803 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)sc2C1 ZINC000339514321 1014631101 /nfs/dbraw/zinc/63/11/01/1014631101.db2.gz ZHBUMTUQKXEPQT-SJORKVTESA-N 2 1 341.524 3.803 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025178 1032099066 /nfs/dbraw/zinc/09/90/66/1032099066.db2.gz AONQHXLMQHNMMU-AEFFLSMTSA-N 2 1 332.488 3.543 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025178 1032099078 /nfs/dbraw/zinc/09/90/78/1032099078.db2.gz AONQHXLMQHNMMU-AEFFLSMTSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025178 1032099093 /nfs/dbraw/zinc/09/90/93/1032099093.db2.gz AONQHXLMQHNMMU-AEFFLSMTSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@H]1C ZINC000449025178 1032099102 /nfs/dbraw/zinc/09/91/02/1032099102.db2.gz AONQHXLMQHNMMU-AEFFLSMTSA-N 2 1 332.488 3.543 20 0 EHADMP COc1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000449058967 1032101747 /nfs/dbraw/zinc/10/17/47/1032101747.db2.gz NIROMRDRTGZMKO-GOSISDBHSA-N 2 1 338.495 3.880 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000339659012 1015476959 /nfs/dbraw/zinc/47/69/59/1015476959.db2.gz VSJPKYAMBWHVBI-GOSISDBHSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000339659012 1015476965 /nfs/dbraw/zinc/47/69/65/1015476965.db2.gz VSJPKYAMBWHVBI-GOSISDBHSA-N 2 1 333.863 3.778 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000339682855 1015510374 /nfs/dbraw/zinc/51/03/74/1015510374.db2.gz MAXOMRLPFMEGKD-WMZOPIPTSA-N 2 1 336.545 3.542 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274954668 1015676330 /nfs/dbraw/zinc/67/63/30/1015676330.db2.gz VSKVOJFHCXJCFF-RZQQEMMASA-N 2 1 341.499 3.723 20 0 EHADMP c1ccc(-c2ncc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000533536377 1016077132 /nfs/dbraw/zinc/07/71/32/1016077132.db2.gz GOJMGWNOSIZTDI-FPOVZHCZSA-N 2 1 348.494 3.592 20 0 EHADMP CCC[N@H+](Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000037538982 1016092575 /nfs/dbraw/zinc/09/25/75/1016092575.db2.gz BKJPAQHCXJARGX-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CCC[N@@H+](Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000037538982 1016092580 /nfs/dbraw/zinc/09/25/80/1016092580.db2.gz BKJPAQHCXJARGX-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904576731 1032142894 /nfs/dbraw/zinc/14/28/94/1032142894.db2.gz KXOLTVKKTGDETC-YOEHRIQHSA-N 2 1 328.460 3.768 20 0 EHADMP CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000588204817 1016458107 /nfs/dbraw/zinc/45/81/07/1016458107.db2.gz ZGQDUYWPIIKTFW-IRXDYDNUSA-N 2 1 338.536 3.599 20 0 EHADMP Brc1ccsc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345307 1042730307 /nfs/dbraw/zinc/73/03/07/1042730307.db2.gz IDTGISUJUKHEIU-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccsc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345307 1042730313 /nfs/dbraw/zinc/73/03/13/1042730313.db2.gz IDTGISUJUKHEIU-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccsc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345307 1042730320 /nfs/dbraw/zinc/73/03/20/1042730320.db2.gz IDTGISUJUKHEIU-ZDUSSCGKSA-N 2 1 343.334 3.722 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311514600 1016800654 /nfs/dbraw/zinc/80/06/54/1016800654.db2.gz HZOSZNQNFNRNQX-PXNSSMCTSA-N 2 1 348.494 3.643 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000449088581 1032195428 /nfs/dbraw/zinc/19/54/28/1032195428.db2.gz ICDNFAKRTIHMHZ-UONOGXRCSA-N 2 1 331.460 3.666 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000449088581 1032195442 /nfs/dbraw/zinc/19/54/42/1032195442.db2.gz ICDNFAKRTIHMHZ-UONOGXRCSA-N 2 1 331.460 3.666 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000461108640 1032259176 /nfs/dbraw/zinc/25/91/76/1032259176.db2.gz NKRHASDSIQSZKW-FUHWJXTLSA-N 2 1 348.531 3.834 20 0 EHADMP C[C@H]1C[C@@H](NCc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449175570 1032267060 /nfs/dbraw/zinc/26/70/60/1032267060.db2.gz KNLOJMVQVLLKCS-LPHOPBHVSA-N 2 1 335.451 3.971 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3cccnc3o2)CCN1Cc1ccccc1 ZINC000449175570 1032267072 /nfs/dbraw/zinc/26/70/72/1032267072.db2.gz KNLOJMVQVLLKCS-LPHOPBHVSA-N 2 1 335.451 3.971 20 0 EHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CCCC2)o1 ZINC000538292709 1032274920 /nfs/dbraw/zinc/27/49/20/1032274920.db2.gz AJYXARBDBGASTK-SFHLNBCPSA-N 2 1 346.515 3.787 20 0 EHADMP COCC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000449163159 1032277837 /nfs/dbraw/zinc/27/78/37/1032277837.db2.gz VCVJHXWHTYKLLK-AFNJWWOFSA-N 2 1 336.545 3.926 20 0 EHADMP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000449163159 1032277848 /nfs/dbraw/zinc/27/78/48/1032277848.db2.gz VCVJHXWHTYKLLK-AFNJWWOFSA-N 2 1 336.545 3.926 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000538398964 1032328671 /nfs/dbraw/zinc/32/86/71/1032328671.db2.gz VIKRIEWYIZQSKR-PMACEKPBSA-N 2 1 330.516 3.753 20 0 EHADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536865206 1032364945 /nfs/dbraw/zinc/36/49/45/1032364945.db2.gz WITCKSCCEVHTJH-KSZLIROESA-N 2 1 334.504 3.544 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000536883415 1032388760 /nfs/dbraw/zinc/38/87/60/1032388760.db2.gz WKKBJWTXIOUFQR-FRQCXROJSA-N 2 1 346.515 3.835 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000536883415 1032388780 /nfs/dbraw/zinc/38/87/80/1032388780.db2.gz WKKBJWTXIOUFQR-FRQCXROJSA-N 2 1 346.515 3.835 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459734990 1032438196 /nfs/dbraw/zinc/43/81/96/1032438196.db2.gz HHUYDUZTTPMJMD-QGZVFWFLSA-N 2 1 339.483 3.579 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459744029 1032457507 /nfs/dbraw/zinc/45/75/07/1032457507.db2.gz XOIVWEGILIOSTM-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797895 1032480808 /nfs/dbraw/zinc/48/08/08/1032480808.db2.gz XCPDBZBTTDEDJY-ZBFHGGJFSA-N 2 1 328.422 3.958 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(Br)cc2)[C@@H](C)C1 ZINC000449461873 1032610873 /nfs/dbraw/zinc/61/08/73/1032610873.db2.gz UCLFLSGULDTBLS-RMLGOWPTSA-N 2 1 337.305 3.782 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188787912 1017279173 /nfs/dbraw/zinc/27/91/73/1017279173.db2.gz SGNFZRYNBZPYMB-CABCVRRESA-N 2 1 336.439 3.996 20 0 EHADMP CCSc1ccccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124395461 1017320341 /nfs/dbraw/zinc/32/03/41/1017320341.db2.gz DOHQBRGBYSSVHC-KRWDZBQOSA-N 2 1 349.588 3.723 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711141 1017430852 /nfs/dbraw/zinc/43/08/52/1017430852.db2.gz HFFPQILRROBPMQ-IRXDYDNUSA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655711141 1017430861 /nfs/dbraw/zinc/43/08/61/1017430861.db2.gz HFFPQILRROBPMQ-IRXDYDNUSA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711141 1017430869 /nfs/dbraw/zinc/43/08/69/1017430869.db2.gz HFFPQILRROBPMQ-IRXDYDNUSA-N 2 1 344.890 3.551 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccncc1 ZINC000163698093 1017461227 /nfs/dbraw/zinc/46/12/27/1017461227.db2.gz UOZIFTHQBBSYSL-NRFANRHFSA-N 2 1 341.474 3.969 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655722009 1017464350 /nfs/dbraw/zinc/46/43/50/1017464350.db2.gz UMYXFHJWBUDDOR-ZMSDIMECSA-N 2 1 348.453 3.588 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1OCC ZINC000340410204 1017495471 /nfs/dbraw/zinc/49/54/71/1017495471.db2.gz URSQRQJXAHWFMV-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OCC ZINC000340410204 1017495475 /nfs/dbraw/zinc/49/54/75/1017495475.db2.gz URSQRQJXAHWFMV-QGZVFWFLSA-N 2 1 334.504 3.838 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078206 1017509060 /nfs/dbraw/zinc/50/90/60/1017509060.db2.gz FZLREPOPZISFSP-VAMGGRTRSA-N 2 1 328.431 3.596 20 0 EHADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000415078596 1017518375 /nfs/dbraw/zinc/51/83/75/1017518375.db2.gz IYQMIHBGCSYLOZ-NRFANRHFSA-N 2 1 326.484 3.866 20 0 EHADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000415086124 1017531401 /nfs/dbraw/zinc/53/14/01/1017531401.db2.gz UFTXSWGCKVOXDT-PBHICJAKSA-N 2 1 329.419 3.633 20 0 EHADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000415088099 1017534424 /nfs/dbraw/zinc/53/44/24/1017534424.db2.gz LOTZRYJJVXMYPR-QLFBSQMISA-N 2 1 338.467 3.804 20 0 EHADMP CC(C)c1nc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000415096032 1017543311 /nfs/dbraw/zinc/54/33/11/1017543311.db2.gz ANXCUOSWJLYGBR-WMZOPIPTSA-N 2 1 329.513 3.892 20 0 EHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000415115694 1017572521 /nfs/dbraw/zinc/57/25/21/1017572521.db2.gz XDQPBTXMZPJOBW-OCCSQVGLSA-N 2 1 349.327 3.773 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275602333 1017573243 /nfs/dbraw/zinc/57/32/43/1017573243.db2.gz QKSWFSLWRYIJPX-GOEBONIOSA-N 2 1 349.425 3.658 20 0 EHADMP Cc1ccc(F)c(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000683721918 1018164655 /nfs/dbraw/zinc/16/46/55/1018164655.db2.gz ZUDUDDVPTMVKBR-UHFFFAOYSA-N 2 1 330.447 3.707 20 0 EHADMP Cn1ncc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C1CC1 ZINC000893020273 1018179545 /nfs/dbraw/zinc/17/95/45/1018179545.db2.gz PFMAVXACABPTAX-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C1CC1 ZINC000893020273 1018179566 /nfs/dbraw/zinc/17/95/66/1018179566.db2.gz PFMAVXACABPTAX-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C1CC1 ZINC000893020273 1018179574 /nfs/dbraw/zinc/17/95/74/1018179574.db2.gz PFMAVXACABPTAX-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn3ccnc3s2)[C@@H]1c1cccs1 ZINC000893021634 1018186883 /nfs/dbraw/zinc/18/68/83/1018186883.db2.gz VQFJEZQDRJJRBK-CZUORRHYSA-N 2 1 346.525 3.630 20 0 EHADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340530383 1018233267 /nfs/dbraw/zinc/23/32/67/1018233267.db2.gz ZLVHFKKFELSECB-ABRVWIGJSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1cc(F)ncc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000893098111 1018460177 /nfs/dbraw/zinc/46/01/77/1018460177.db2.gz GFNGDUYHSWODPG-QFBILLFUSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000893098111 1018460197 /nfs/dbraw/zinc/46/01/97/1018460197.db2.gz GFNGDUYHSWODPG-QFBILLFUSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000893098111 1018460211 /nfs/dbraw/zinc/46/02/11/1018460211.db2.gz GFNGDUYHSWODPG-QFBILLFUSA-N 2 1 327.447 3.672 20 0 EHADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261952332 1018607684 /nfs/dbraw/zinc/60/76/84/1018607684.db2.gz NIGNKJKTHXTVJA-GFCCVEGCSA-N 2 1 344.286 3.525 20 0 EHADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191794 1018770781 /nfs/dbraw/zinc/77/07/81/1018770781.db2.gz ZWRPRIZQZGJZQU-NHCUHLMSSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191794 1018770792 /nfs/dbraw/zinc/77/07/92/1018770792.db2.gz ZWRPRIZQZGJZQU-NHCUHLMSSA-N 2 1 344.543 3.960 20 0 EHADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OCc1cccs1 ZINC000580212207 1018796668 /nfs/dbraw/zinc/79/66/68/1018796668.db2.gz BDNYAOTYYGYDNP-UHFFFAOYSA-N 2 1 346.496 3.521 20 0 EHADMP c1cc2[nH+]ccc(NCC3CC[NH+](C4CCOCC4)CC3)c2s1 ZINC000664150430 1018983509 /nfs/dbraw/zinc/98/35/09/1018983509.db2.gz BYEOSULFTPWYRD-UHFFFAOYSA-N 2 1 331.485 3.599 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561253 1032810197 /nfs/dbraw/zinc/81/01/97/1032810197.db2.gz SYRRXHMMGZJSBE-FCLXEUQJSA-N 2 1 326.406 3.851 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1 ZINC000191595633 1032812490 /nfs/dbraw/zinc/81/24/90/1032812490.db2.gz JZYBKTVHILSQEP-UWJYYQICSA-N 2 1 349.478 3.743 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000513499941 1019758451 /nfs/dbraw/zinc/75/84/51/1019758451.db2.gz JQGHEILSUXCIAG-UYAOXDASSA-N 2 1 348.494 3.725 20 0 EHADMP Fc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000093177945 1032882650 /nfs/dbraw/zinc/88/26/50/1032882650.db2.gz SWHIDNHYEMLXPB-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000280249404 1020244428 /nfs/dbraw/zinc/24/44/28/1020244428.db2.gz IUQQHHFBWDXCOE-ZDUSSCGKSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000280400874 1020363008 /nfs/dbraw/zinc/36/30/08/1020363008.db2.gz XQZDXVXKMYDKCN-KBPBESRZSA-N 2 1 326.406 3.710 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@H]3CC(C)=C[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000581100431 1020425915 /nfs/dbraw/zinc/42/59/15/1020425915.db2.gz MXRBZPXOPNFTJX-KBXCAEBGSA-N 2 1 328.504 3.644 20 0 EHADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1OC ZINC000581213681 1020521180 /nfs/dbraw/zinc/52/11/80/1020521180.db2.gz RORMISPQMSKXHV-CALCHBBNSA-N 2 1 348.531 3.860 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000430557022 1020673673 /nfs/dbraw/zinc/67/36/73/1020673673.db2.gz LYYQKZDXNMZMJX-UHFFFAOYSA-N 2 1 342.487 3.682 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000156177417 1020763587 /nfs/dbraw/zinc/76/35/87/1020763587.db2.gz JKZGOFSWFFSMDY-AWEZNQCLSA-N 2 1 349.931 3.864 20 0 EHADMP CCc1noc(C)c1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000276196059 1020876805 /nfs/dbraw/zinc/87/68/05/1020876805.db2.gz IUWTXYBBYSXIAM-HZPDHXFCSA-N 2 1 341.499 3.792 20 0 EHADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000581564058 1021092309 /nfs/dbraw/zinc/09/23/09/1021092309.db2.gz FPQNVLAQQDIZPU-CSEOROSGSA-N 2 1 342.527 3.570 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090187365 1021117698 /nfs/dbraw/zinc/11/76/98/1021117698.db2.gz TVQWGDKPANOCOV-HXUWFJFHSA-N 2 1 340.515 3.614 20 0 EHADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000518450975 1021188062 /nfs/dbraw/zinc/18/80/62/1021188062.db2.gz KMDWWNJQAJGDAX-RTBURBONSA-N 2 1 330.541 3.726 20 0 EHADMP CSC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000518450975 1021188065 /nfs/dbraw/zinc/18/80/65/1021188065.db2.gz KMDWWNJQAJGDAX-RTBURBONSA-N 2 1 330.541 3.726 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)C1 ZINC000296006692 1021234416 /nfs/dbraw/zinc/23/44/16/1021234416.db2.gz OQTPTDSGFTWNCG-HLIPFELVSA-N 2 1 338.499 3.596 20 0 EHADMP CO[C@@H]([C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289667 1021277238 /nfs/dbraw/zinc/27/72/38/1021277238.db2.gz FDHFGVIGJHQQDB-UXPWSPDFSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]([C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000516289667 1021277252 /nfs/dbraw/zinc/27/72/52/1021277252.db2.gz FDHFGVIGJHQQDB-UXPWSPDFSA-N 2 1 328.500 3.587 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430627829 1021279586 /nfs/dbraw/zinc/27/95/86/1021279586.db2.gz NWEJKWSRAPLYAS-GOSISDBHSA-N 2 1 328.431 3.575 20 0 EHADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786708 1021342905 /nfs/dbraw/zinc/34/29/05/1021342905.db2.gz WUBHMRVAZIIGAJ-GOSISDBHSA-N 2 1 340.515 3.658 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]1 ZINC000656788099 1021349463 /nfs/dbraw/zinc/34/94/63/1021349463.db2.gz BKYCGAGCSYCSQW-CABCVRRESA-N 2 1 327.497 3.556 20 0 EHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000305878907 1021471770 /nfs/dbraw/zinc/47/17/70/1021471770.db2.gz JKESJEBQNFRINM-MSOLQXFVSA-N 2 1 345.487 3.750 20 0 EHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000305878907 1021471774 /nfs/dbraw/zinc/47/17/74/1021471774.db2.gz JKESJEBQNFRINM-MSOLQXFVSA-N 2 1 345.487 3.750 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246805045 1021475572 /nfs/dbraw/zinc/47/55/72/1021475572.db2.gz AHDDCHLBPCEPNV-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246805045 1021475579 /nfs/dbraw/zinc/47/55/79/1021475579.db2.gz AHDDCHLBPCEPNV-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246805045 1021475586 /nfs/dbraw/zinc/47/55/86/1021475586.db2.gz AHDDCHLBPCEPNV-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000246805045 1021475596 /nfs/dbraw/zinc/47/55/96/1021475596.db2.gz AHDDCHLBPCEPNV-XQBPLPMBSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173057 1021510058 /nfs/dbraw/zinc/51/00/58/1021510058.db2.gz UURCFPQFAIHDOU-PZJWPPBQSA-N 2 1 341.543 3.505 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000647173057 1021510072 /nfs/dbraw/zinc/51/00/72/1021510072.db2.gz UURCFPQFAIHDOU-PZJWPPBQSA-N 2 1 341.543 3.505 20 0 EHADMP FC(F)(F)C1CCC(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000341363711 1021547337 /nfs/dbraw/zinc/54/73/37/1021547337.db2.gz IVXZFWQWMUZOQT-UHFFFAOYSA-N 2 1 348.453 3.590 20 0 EHADMP CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437096317 1021547850 /nfs/dbraw/zinc/54/78/50/1021547850.db2.gz SSXCXDZWSWJMIO-XUVXKRRUSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542706 1021666377 /nfs/dbraw/zinc/66/63/77/1021666377.db2.gz CYCWXDNKYMIYDF-UONOGXRCSA-N 2 1 330.394 3.534 20 0 EHADMP CCCn1cc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)cn1 ZINC000581752980 1021686187 /nfs/dbraw/zinc/68/61/87/1021686187.db2.gz CRHPVZDUUTZHKG-UHFFFAOYSA-N 2 1 334.552 3.873 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000510468850 1021920803 /nfs/dbraw/zinc/92/08/03/1021920803.db2.gz HVMUZHWGGRAZCH-UHFFFAOYSA-N 2 1 329.532 3.839 20 0 EHADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000441034828 1021943600 /nfs/dbraw/zinc/94/36/00/1021943600.db2.gz CGOBSTLAUNNWGR-KRWDZBQOSA-N 2 1 349.950 3.891 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430668902 1022101520 /nfs/dbraw/zinc/10/15/20/1022101520.db2.gz SGZNOHAXTYBQFY-OAHLLOKOSA-N 2 1 344.421 3.796 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@](C)(C[NH3+])C1 ZINC001167967091 1022173727 /nfs/dbraw/zinc/17/37/27/1022173727.db2.gz BBOYTNBJICHIFM-POZBTDIHSA-N 3 1 333.564 3.525 20 0 EHADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)c(-c2ccccc2)cc1OC ZINC000581894242 1022181336 /nfs/dbraw/zinc/18/13/36/1022181336.db2.gz MUNCAWDTIUOWLI-UHFFFAOYSA-N 2 1 340.467 3.556 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000510486494 1022210659 /nfs/dbraw/zinc/21/06/59/1022210659.db2.gz AGUGRMJSXMROJQ-NRFANRHFSA-N 2 1 343.559 3.705 20 0 EHADMP CC(C)[C@@H](O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647198927 1022313632 /nfs/dbraw/zinc/31/36/32/1022313632.db2.gz DPENRKXMWMSVAH-VQTJNVASSA-N 2 1 342.527 3.570 20 0 EHADMP CC(C)[C@@H](O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647198927 1022313645 /nfs/dbraw/zinc/31/36/45/1022313645.db2.gz DPENRKXMWMSVAH-VQTJNVASSA-N 2 1 342.527 3.570 20 0 EHADMP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414919475 1022319888 /nfs/dbraw/zinc/31/98/88/1022319888.db2.gz VDDFNXVESWQIEX-NSHDSACASA-N 2 1 339.213 3.827 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000425944043 1022338167 /nfs/dbraw/zinc/33/81/67/1022338167.db2.gz LDPCCOHDFNVPPF-NVXWUHKLSA-N 2 1 328.504 3.646 20 0 EHADMP COc1cccc2c1CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C2 ZINC000425948711 1022384653 /nfs/dbraw/zinc/38/46/53/1022384653.db2.gz DUUSYSZYTUBJLD-MJGOQNOKSA-N 2 1 330.516 3.797 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000550097558 1022423647 /nfs/dbraw/zinc/42/36/47/1022423647.db2.gz SHAXADCCBIJFDY-FHWLQOOXSA-N 2 1 338.536 3.599 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000119432329 1033052150 /nfs/dbraw/zinc/05/21/50/1033052150.db2.gz IUJZGQNXGDLNAX-UHFFFAOYSA-N 2 1 327.472 3.763 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000517567149 1022461066 /nfs/dbraw/zinc/46/10/66/1022461066.db2.gz BOMNHMPOSAXCJD-MRXNPFEDSA-N 2 1 340.467 3.542 20 0 EHADMP CC(C)n1ccnc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471833553 1022476953 /nfs/dbraw/zinc/47/69/53/1022476953.db2.gz CUUIXEWBPFYXCI-PMACEKPBSA-N 2 1 340.515 3.636 20 0 EHADMP CC(C)n1ccnc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471833553 1022476961 /nfs/dbraw/zinc/47/69/61/1022476961.db2.gz CUUIXEWBPFYXCI-PMACEKPBSA-N 2 1 340.515 3.636 20 0 EHADMP COc1cccc2c1c(C[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974400 1022509164 /nfs/dbraw/zinc/50/91/64/1022509164.db2.gz ZJAGPBPWHIFORM-JWTNVVGKSA-N 2 1 339.483 3.687 20 0 EHADMP COc1ncccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167975525 1022629485 /nfs/dbraw/zinc/62/94/85/1022629485.db2.gz RANGBBJEKXXXCM-AQDPXUSMSA-N 2 1 341.499 3.536 20 0 EHADMP COc1ncccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167975525 1022629494 /nfs/dbraw/zinc/62/94/94/1022629494.db2.gz RANGBBJEKXXXCM-AQDPXUSMSA-N 2 1 341.499 3.536 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000341639710 1022743208 /nfs/dbraw/zinc/74/32/08/1022743208.db2.gz MAUUHBOURAIIPA-RHSMWYFYSA-N 2 1 345.314 3.881 20 0 EHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000414934815 1022778523 /nfs/dbraw/zinc/77/85/23/1022778523.db2.gz AKFQBCSMZHFAMB-ZQLBRTHOSA-N 2 1 328.500 3.554 20 0 EHADMP Fc1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167981675 1022786678 /nfs/dbraw/zinc/78/66/78/1022786678.db2.gz DTNZIFRHHUPPRN-WVVQBRDUSA-N 2 1 328.475 3.678 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000187911437 1022798484 /nfs/dbraw/zinc/79/84/84/1022798484.db2.gz XRTKAXZFSMVNRX-VQTJNVASSA-N 2 1 344.524 3.946 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167982111 1022816078 /nfs/dbraw/zinc/81/60/78/1022816078.db2.gz XJTBIMHNPBAUIM-BCHWPZMRSA-N 2 1 341.499 3.701 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000925079097 1022837521 /nfs/dbraw/zinc/83/75/21/1022837521.db2.gz DUUREJGURWRBNB-ZGDXVETISA-N 2 1 328.500 3.759 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000430949662 1022939200 /nfs/dbraw/zinc/93/92/00/1022939200.db2.gz OJQYKRGHQGWUFP-UTKZUKDTSA-N 2 1 346.478 3.708 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000506872522 1022977717 /nfs/dbraw/zinc/97/77/17/1022977717.db2.gz BXXHKEPWKIKPDB-UHFFFAOYSA-N 2 1 348.531 3.956 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176310 1023043246 /nfs/dbraw/zinc/04/32/46/1023043246.db2.gz ZDBWKGBBMMFWPM-FUHWJXTLSA-N 2 1 334.504 3.576 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426176310 1023043255 /nfs/dbraw/zinc/04/32/55/1023043255.db2.gz ZDBWKGBBMMFWPM-FUHWJXTLSA-N 2 1 334.504 3.576 20 0 EHADMP CC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000438829455 1023047443 /nfs/dbraw/zinc/04/74/43/1023047443.db2.gz CQSUWACCWVXKNR-JSRAGOMMSA-N 2 1 330.516 3.977 20 0 EHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000510928602 1023488194 /nfs/dbraw/zinc/48/81/94/1023488194.db2.gz KFNZZWWVKLZLTF-HBMCJLEFSA-N 2 1 348.506 3.786 20 0 EHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000510928602 1023488197 /nfs/dbraw/zinc/48/81/97/1023488197.db2.gz KFNZZWWVKLZLTF-HBMCJLEFSA-N 2 1 348.506 3.786 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000341949562 1023715909 /nfs/dbraw/zinc/71/59/09/1023715909.db2.gz WEISUYDMBXLNRH-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP Clc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000192165428 1023954014 /nfs/dbraw/zinc/95/40/14/1023954014.db2.gz PEYVTPMGBQVGJC-UHFFFAOYSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Br ZINC000192165428 1023954025 /nfs/dbraw/zinc/95/40/25/1023954025.db2.gz PEYVTPMGBQVGJC-UHFFFAOYSA-N 2 1 343.696 3.819 20 0 EHADMP Fc1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CCOCC2)cc1 ZINC000647989632 1024015969 /nfs/dbraw/zinc/01/59/69/1024015969.db2.gz PTPCIBVIVHTRRB-UHFFFAOYSA-N 2 1 334.479 3.587 20 0 EHADMP O=C(c1ccccc1)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002392 1024049177 /nfs/dbraw/zinc/04/91/77/1024049177.db2.gz QTPVUTCZVJDZAJ-CBQMWWCCSA-N 2 1 338.495 3.597 20 0 EHADMP O=C(c1ccccc1)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002392 1024049189 /nfs/dbraw/zinc/04/91/89/1024049189.db2.gz QTPVUTCZVJDZAJ-CBQMWWCCSA-N 2 1 338.495 3.597 20 0 EHADMP O=C(c1ccccc1)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002392 1024049203 /nfs/dbraw/zinc/04/92/03/1024049203.db2.gz QTPVUTCZVJDZAJ-CBQMWWCCSA-N 2 1 338.495 3.597 20 0 EHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000514093481 1024127680 /nfs/dbraw/zinc/12/76/80/1024127680.db2.gz GFVHMZWFVDEMFU-HNNXBMFYSA-N 2 1 333.451 3.878 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000514093481 1024127689 /nfs/dbraw/zinc/12/76/89/1024127689.db2.gz GFVHMZWFVDEMFU-HNNXBMFYSA-N 2 1 333.451 3.878 20 0 EHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000514093482 1024128695 /nfs/dbraw/zinc/12/86/95/1024128695.db2.gz GFVHMZWFVDEMFU-OAHLLOKOSA-N 2 1 333.451 3.878 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000514093482 1024128701 /nfs/dbraw/zinc/12/87/01/1024128701.db2.gz GFVHMZWFVDEMFU-OAHLLOKOSA-N 2 1 333.451 3.878 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580925 1024140026 /nfs/dbraw/zinc/14/00/26/1024140026.db2.gz WSBRJHNGWDDHNC-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580925 1024140032 /nfs/dbraw/zinc/14/00/32/1024140032.db2.gz WSBRJHNGWDDHNC-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023030 1024241789 /nfs/dbraw/zinc/24/17/89/1024241789.db2.gz UQLDDEDBHLRBGX-GMQQQROESA-N 2 1 344.543 3.959 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427609320 1024292405 /nfs/dbraw/zinc/29/24/05/1024292405.db2.gz MUCBKCKYLHRLCD-BBRMVZONSA-N 2 1 341.421 3.799 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427609320 1024292412 /nfs/dbraw/zinc/29/24/12/1024292412.db2.gz MUCBKCKYLHRLCD-BBRMVZONSA-N 2 1 341.421 3.799 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999295 1024373727 /nfs/dbraw/zinc/37/37/27/1024373727.db2.gz FGBHJGMVUWUHBU-IRXDYDNUSA-N 2 1 332.488 3.763 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000323999295 1024373743 /nfs/dbraw/zinc/37/37/43/1024373743.db2.gz FGBHJGMVUWUHBU-IRXDYDNUSA-N 2 1 332.488 3.763 20 0 EHADMP C[C@@H]1CC([NH2+]CCN2CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006330 1024411210 /nfs/dbraw/zinc/41/12/10/1024411210.db2.gz NEPMMPIUPWRTPZ-RTBURBONSA-N 2 1 329.532 3.504 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCCCC1 ZINC000414857367 1024483501 /nfs/dbraw/zinc/48/35/01/1024483501.db2.gz CZGRHRSTSSFAOW-UHFFFAOYSA-N 2 1 339.483 3.802 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000346180914 1024496662 /nfs/dbraw/zinc/49/66/62/1024496662.db2.gz QXBRFCFJVFUTCD-NRFANRHFSA-N 2 1 332.451 3.783 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000343327936 1024498367 /nfs/dbraw/zinc/49/83/67/1024498367.db2.gz WTWZDADTHONAIH-YWZLYKJASA-N 2 1 338.430 3.741 20 0 EHADMP COc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000895449560 1024515186 /nfs/dbraw/zinc/51/51/86/1024515186.db2.gz RESHPUKCRXZNFJ-GOSISDBHSA-N 2 1 340.467 3.680 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000895449560 1024515190 /nfs/dbraw/zinc/51/51/90/1024515190.db2.gz RESHPUKCRXZNFJ-GOSISDBHSA-N 2 1 340.467 3.680 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000895449560 1024515195 /nfs/dbraw/zinc/51/51/95/1024515195.db2.gz RESHPUKCRXZNFJ-GOSISDBHSA-N 2 1 340.467 3.680 20 0 EHADMP C[C@@H]1CC([NH2+]C2CCC(CC[NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168029053 1024527842 /nfs/dbraw/zinc/52/78/42/1024527842.db2.gz SDEWJUSYJORJGA-NQAMIAIDSA-N 2 1 343.559 3.925 20 0 EHADMP COCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000511020433 1024550381 /nfs/dbraw/zinc/55/03/81/1024550381.db2.gz VNTKZTAVYBSEOW-HXUWFJFHSA-N 2 1 332.532 3.734 20 0 EHADMP Cc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1C ZINC000895499227 1024569559 /nfs/dbraw/zinc/56/95/59/1024569559.db2.gz VTDYEZSPQGFMGK-IBGZPJMESA-N 2 1 343.515 3.649 20 0 EHADMP COc1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1C)[C@H](c1ccccc1)C2 ZINC000346281271 1024598934 /nfs/dbraw/zinc/59/89/34/1024598934.db2.gz SSCLSNQUBXGEFG-QFIPXVFZSA-N 2 1 347.462 4.000 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1C)[C@H](c1ccccc1)C2 ZINC000346281271 1024598944 /nfs/dbraw/zinc/59/89/44/1024598944.db2.gz SSCLSNQUBXGEFG-QFIPXVFZSA-N 2 1 347.462 4.000 20 0 EHADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCCC(C)C ZINC000430132205 1024663168 /nfs/dbraw/zinc/66/31/68/1024663168.db2.gz NMOKWIYCPAPDFY-NRFANRHFSA-N 2 1 346.515 3.648 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000665232000 1024686264 /nfs/dbraw/zinc/68/62/64/1024686264.db2.gz CVLVFDZZZXGABS-VSKRKVRLSA-N 2 1 335.495 3.802 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000474019719 1024748567 /nfs/dbraw/zinc/74/85/67/1024748567.db2.gz CKUSKUCKMVHJHJ-NJDAHSKKSA-N 2 1 330.516 3.823 20 0 EHADMP C[N@H+](C[C@@H](O)CC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871643 1024860684 /nfs/dbraw/zinc/86/06/84/1024860684.db2.gz OHWFDVIMOJTXFX-NRFANRHFSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871643 1024860704 /nfs/dbraw/zinc/86/07/04/1024860704.db2.gz OHWFDVIMOJTXFX-NRFANRHFSA-N 2 1 330.516 3.524 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000435396665 1024881422 /nfs/dbraw/zinc/88/14/22/1024881422.db2.gz XPQPYROEGSDPLV-BEFAXECRSA-N 2 1 340.467 3.540 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000105442597 1024942914 /nfs/dbraw/zinc/94/29/14/1024942914.db2.gz JFDNWFNJCAVTQY-GFCCVEGCSA-N 2 1 332.498 3.802 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000157540623 1024946257 /nfs/dbraw/zinc/94/62/57/1024946257.db2.gz CZRORFACOOESAW-FYSMJZIKSA-N 2 1 348.556 3.872 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657311950 1024994371 /nfs/dbraw/zinc/99/43/71/1024994371.db2.gz AARGGIDJINETHO-MSOLQXFVSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657311950 1024994381 /nfs/dbraw/zinc/99/43/81/1024994381.db2.gz AARGGIDJINETHO-MSOLQXFVSA-N 2 1 327.497 3.835 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4cccnc4)[C@H]3C2)cc1 ZINC000428227634 1025046996 /nfs/dbraw/zinc/04/69/96/1025046996.db2.gz SOFGSVYFPBDTMQ-RJGXRXQPSA-N 2 1 349.522 3.905 20 0 EHADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665259243 1025054261 /nfs/dbraw/zinc/05/42/61/1025054261.db2.gz ZKBCGMDEQFHBKN-ZLGUVYLKSA-N 2 1 341.474 3.667 20 0 EHADMP Cc1cc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000428219337 1025054386 /nfs/dbraw/zinc/05/43/86/1025054386.db2.gz OSQFEHJTFUBOEB-HLAWJBBLSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000428219337 1025054397 /nfs/dbraw/zinc/05/43/97/1025054397.db2.gz OSQFEHJTFUBOEB-HLAWJBBLSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000428219337 1025054408 /nfs/dbraw/zinc/05/44/08/1025054408.db2.gz OSQFEHJTFUBOEB-HLAWJBBLSA-N 2 1 339.483 3.763 20 0 EHADMP c1nc(C2CC2)sc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000520950953 1025135952 /nfs/dbraw/zinc/13/59/52/1025135952.db2.gz WEYYUBFEQOGWMA-UHFFFAOYSA-N 2 1 342.512 3.933 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 ZINC000631252789 1025144531 /nfs/dbraw/zinc/14/45/31/1025144531.db2.gz BTHAAUIUZADHFX-FCHUYYIVSA-N 2 1 342.527 3.631 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000515308333 1025151974 /nfs/dbraw/zinc/15/19/74/1025151974.db2.gz KCTGWTFFFJQGLV-MRXNPFEDSA-N 2 1 326.469 3.800 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000515308333 1025151977 /nfs/dbraw/zinc/15/19/77/1025151977.db2.gz KCTGWTFFFJQGLV-MRXNPFEDSA-N 2 1 326.469 3.800 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443986124 1025156671 /nfs/dbraw/zinc/15/66/71/1025156671.db2.gz HPXZUOPEJRJERP-UHFFFAOYSA-N 2 1 326.415 3.970 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000469854185 1025179578 /nfs/dbraw/zinc/17/95/78/1025179578.db2.gz VXLBSHWHBITXIA-RDJZCZTQSA-N 2 1 328.431 3.574 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474614300 1025220181 /nfs/dbraw/zinc/22/01/81/1025220181.db2.gz HCXHHZNHFZMVGD-XDNAFOTISA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474614300 1025220196 /nfs/dbraw/zinc/22/01/96/1025220196.db2.gz HCXHHZNHFZMVGD-XDNAFOTISA-N 2 1 348.531 3.906 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C[C@H]12 ZINC000346856805 1025246624 /nfs/dbraw/zinc/24/66/24/1025246624.db2.gz PPWAOUQNEJHQBX-LKUPVBHCSA-N 2 1 340.442 3.574 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000521431678 1025387619 /nfs/dbraw/zinc/38/76/19/1025387619.db2.gz HXTKHIVVHAMGFR-CQSZACIVSA-N 2 1 348.516 3.913 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044432 1025460073 /nfs/dbraw/zinc/46/00/73/1025460073.db2.gz FJGAAKJTYUOTTG-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044432 1025460081 /nfs/dbraw/zinc/46/00/81/1025460081.db2.gz FJGAAKJTYUOTTG-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044432 1025460090 /nfs/dbraw/zinc/46/00/90/1025460090.db2.gz FJGAAKJTYUOTTG-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044432 1025460099 /nfs/dbraw/zinc/46/00/99/1025460099.db2.gz FJGAAKJTYUOTTG-FPOVZHCZSA-N 2 1 328.500 3.542 20 0 EHADMP CC[N@H+](CCCC(=O)OC)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041667 1025466213 /nfs/dbraw/zinc/46/62/13/1025466213.db2.gz VHYKVYIXACYXIG-OPVJXMOQSA-N 2 1 346.515 3.703 20 0 EHADMP CC[N@@H+](CCCC(=O)OC)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041667 1025466220 /nfs/dbraw/zinc/46/62/20/1025466220.db2.gz VHYKVYIXACYXIG-OPVJXMOQSA-N 2 1 346.515 3.703 20 0 EHADMP CC[NH+](CCCC(=O)OC)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041667 1025466228 /nfs/dbraw/zinc/46/62/28/1025466228.db2.gz VHYKVYIXACYXIG-OPVJXMOQSA-N 2 1 346.515 3.703 20 0 EHADMP CC[NH+](CCCC(=O)OC)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041667 1025466232 /nfs/dbraw/zinc/46/62/32/1025466232.db2.gz VHYKVYIXACYXIG-OPVJXMOQSA-N 2 1 346.515 3.703 20 0 EHADMP C[N@H+](CCCOCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000158155872 1025513238 /nfs/dbraw/zinc/51/32/38/1025513238.db2.gz NOJNMQMLKKCDSQ-UHFFFAOYSA-N 2 1 344.421 3.552 20 0 EHADMP C[N@@H+](CCCOCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000158155872 1025513248 /nfs/dbraw/zinc/51/32/48/1025513248.db2.gz NOJNMQMLKKCDSQ-UHFFFAOYSA-N 2 1 344.421 3.552 20 0 EHADMP Clc1cccc(Cl)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530237261 1025528975 /nfs/dbraw/zinc/52/89/75/1025528975.db2.gz CSBZCXDBQLXKMO-CQSZACIVSA-N 2 1 343.298 3.584 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(Cl)n3C)cc2)C1 ZINC000281823024 1025540017 /nfs/dbraw/zinc/54/00/17/1025540017.db2.gz XDYMMSUAAWHCLQ-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(Cl)n3C)cc2)C1 ZINC000281823024 1025540025 /nfs/dbraw/zinc/54/00/25/1025540025.db2.gz XDYMMSUAAWHCLQ-OAHLLOKOSA-N 2 1 346.906 3.595 20 0 EHADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442875603 1025548375 /nfs/dbraw/zinc/54/83/75/1025548375.db2.gz PFZIRUXCSXQUCH-SFHVURJKSA-N 2 1 331.548 3.562 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(C)(C)C)cc1 ZINC000442873368 1025548422 /nfs/dbraw/zinc/54/84/22/1025548422.db2.gz KWZGQIOBWMGEPO-QGZVFWFLSA-N 2 1 331.548 3.661 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000474039314 1025567800 /nfs/dbraw/zinc/56/78/00/1025567800.db2.gz STZULFNUJLKZGY-BQFCYCMXSA-N 2 1 346.506 3.927 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000474039320 1025568720 /nfs/dbraw/zinc/56/87/20/1025568720.db2.gz STZULFNUJLKZGY-JZXOWHBKSA-N 2 1 346.506 3.927 20 0 EHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442918133 1025582738 /nfs/dbraw/zinc/58/27/38/1025582738.db2.gz FXOYPWKLDMAWPE-QGZVFWFLSA-N 2 1 340.515 3.731 20 0 EHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000442922576 1025599580 /nfs/dbraw/zinc/59/95/80/1025599580.db2.gz OUTVBCVYZZMHTQ-QGZVFWFLSA-N 2 1 334.467 3.586 20 0 EHADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC000892224312 1025602561 /nfs/dbraw/zinc/60/25/61/1025602561.db2.gz TVAODPDSUHJLIM-FQEVSTJZSA-N 2 1 344.524 3.626 20 0 EHADMP CCOC(CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC001168015008 1025635181 /nfs/dbraw/zinc/63/51/81/1025635181.db2.gz OKGSXGDVAGKJRH-OPVJXMOQSA-N 2 1 348.531 3.807 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374106 1025668459 /nfs/dbraw/zinc/66/84/59/1025668459.db2.gz DYROMAXHWVOOEC-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374106 1025668466 /nfs/dbraw/zinc/66/84/66/1025668466.db2.gz DYROMAXHWVOOEC-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425534146 1025679616 /nfs/dbraw/zinc/67/96/16/1025679616.db2.gz BCCIQKWHOHPDJS-OAQYLSRUSA-N 2 1 343.559 3.876 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104483 1025714481 /nfs/dbraw/zinc/71/44/81/1025714481.db2.gz DPXLDDOVVYDOBA-UXHICEINSA-N 2 1 344.524 3.816 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000443104483 1025714498 /nfs/dbraw/zinc/71/44/98/1025714498.db2.gz DPXLDDOVVYDOBA-UXHICEINSA-N 2 1 344.524 3.816 20 0 EHADMP C[C@H]1C[C@H](NCc2c(Cl)cc(Cl)cc2N(C)C)CC[N@H+]1C ZINC000515925227 1025745811 /nfs/dbraw/zinc/74/58/11/1025745811.db2.gz WHAYCWABLLSXSK-WCQYABFASA-N 2 1 330.303 3.632 20 0 EHADMP COCc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000657387088 1025783580 /nfs/dbraw/zinc/78/35/80/1025783580.db2.gz PXCKFVWWIVZYQQ-JXFKEZNVSA-N 2 1 344.524 3.895 20 0 EHADMP COCc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000657387088 1025783588 /nfs/dbraw/zinc/78/35/88/1025783588.db2.gz PXCKFVWWIVZYQQ-JXFKEZNVSA-N 2 1 344.524 3.895 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307149 1025804016 /nfs/dbraw/zinc/80/40/16/1025804016.db2.gz WTJLKHLHYOMBPL-LHUBUQBQSA-N 2 1 326.406 3.828 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307149 1025804037 /nfs/dbraw/zinc/80/40/37/1025804037.db2.gz WTJLKHLHYOMBPL-LHUBUQBQSA-N 2 1 326.406 3.828 20 0 EHADMP COc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168016384 1025969859 /nfs/dbraw/zinc/96/98/59/1025969859.db2.gz VPLGIXCSEQUAKP-IAGOWNOFSA-N 2 1 339.483 3.621 20 0 EHADMP C[C@@H]1CC([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053108 1026021712 /nfs/dbraw/zinc/02/17/12/1026021712.db2.gz MYWKKZRCPMDUTJ-RTBURBONSA-N 3 1 343.559 3.702 20 0 EHADMP C[C@@H]1CC([N@H+](C)CC2CC[NH+](C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168053108 1026021726 /nfs/dbraw/zinc/02/17/26/1026021726.db2.gz MYWKKZRCPMDUTJ-RTBURBONSA-N 2 1 343.559 3.702 20 0 EHADMP C[C@@H]1CC([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168053108 1026021746 /nfs/dbraw/zinc/02/17/46/1026021746.db2.gz MYWKKZRCPMDUTJ-RTBURBONSA-N 2 1 343.559 3.702 20 0 EHADMP FC(F)(F)COCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229077 1026060788 /nfs/dbraw/zinc/06/07/88/1026060788.db2.gz AYWBGDPZOUVHLM-MRXNPFEDSA-N 2 1 336.442 3.543 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562019 1026136431 /nfs/dbraw/zinc/13/64/31/1026136431.db2.gz CFDWWBFGFXQJOB-WBVHZDCISA-N 2 1 337.305 3.723 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562019 1026136438 /nfs/dbraw/zinc/13/64/38/1026136438.db2.gz CFDWWBFGFXQJOB-WBVHZDCISA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562019 1026136444 /nfs/dbraw/zinc/13/64/44/1026136444.db2.gz CFDWWBFGFXQJOB-WBVHZDCISA-N 2 1 337.305 3.723 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562019 1026136447 /nfs/dbraw/zinc/13/64/47/1026136447.db2.gz CFDWWBFGFXQJOB-WBVHZDCISA-N 2 1 337.305 3.723 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000342588334 1026374027 /nfs/dbraw/zinc/37/40/27/1026374027.db2.gz DILBHOZIBFHOAG-ZIAGYGMSSA-N 2 1 325.884 3.659 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@H](C)C1 ZINC000122308661 1026398698 /nfs/dbraw/zinc/39/86/98/1026398698.db2.gz BZTCLJSCYBSBLT-BPQIPLTHSA-N 2 1 336.545 3.852 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033333 1026459975 /nfs/dbraw/zinc/45/99/75/1026459975.db2.gz WWMPTANBNOGKJX-VXKWHMMOSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033333 1026459978 /nfs/dbraw/zinc/45/99/78/1026459978.db2.gz WWMPTANBNOGKJX-VXKWHMMOSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033333 1026459982 /nfs/dbraw/zinc/45/99/82/1026459982.db2.gz WWMPTANBNOGKJX-VXKWHMMOSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033333 1026459989 /nfs/dbraw/zinc/45/99/89/1026459989.db2.gz WWMPTANBNOGKJX-VXKWHMMOSA-N 2 1 335.495 3.611 20 0 EHADMP CCc1cc(NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000301368806 1026778285 /nfs/dbraw/zinc/77/82/85/1026778285.db2.gz UCGAYYRYQIQTTL-SFHVURJKSA-N 2 1 340.471 3.605 20 0 EHADMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301437428 1026805539 /nfs/dbraw/zinc/80/55/39/1026805539.db2.gz SOKFWWYXUSNUES-KGLIPLIRSA-N 2 1 347.409 3.818 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000305616389 1026862472 /nfs/dbraw/zinc/86/24/72/1026862472.db2.gz DFGIFCFAKQZLIE-OALUTQOASA-N 2 1 345.487 3.933 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000305616389 1026862485 /nfs/dbraw/zinc/86/24/85/1026862485.db2.gz DFGIFCFAKQZLIE-OALUTQOASA-N 2 1 345.487 3.933 20 0 EHADMP CO[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC001168066487 1026900642 /nfs/dbraw/zinc/90/06/42/1026900642.db2.gz OXKDGWNFPALLLB-WRJHFWDFSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC001168066487 1026900649 /nfs/dbraw/zinc/90/06/49/1026900649.db2.gz OXKDGWNFPALLLB-WRJHFWDFSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC001168066487 1026900659 /nfs/dbraw/zinc/90/06/59/1026900659.db2.gz OXKDGWNFPALLLB-WRJHFWDFSA-N 2 1 330.516 3.927 20 0 EHADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC001168066487 1026900666 /nfs/dbraw/zinc/90/06/66/1026900666.db2.gz OXKDGWNFPALLLB-WRJHFWDFSA-N 2 1 330.516 3.927 20 0 EHADMP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000075063864 1027083721 /nfs/dbraw/zinc/08/37/21/1027083721.db2.gz VHNHJDIFNVUKBC-UHFFFAOYSA-N 2 1 333.501 3.624 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568081 1027199959 /nfs/dbraw/zinc/19/99/59/1027199959.db2.gz XNPMMZAOCWSXMC-WBVHZDCISA-N 2 1 334.826 3.743 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568081 1027199970 /nfs/dbraw/zinc/19/99/70/1027199970.db2.gz XNPMMZAOCWSXMC-WBVHZDCISA-N 2 1 334.826 3.743 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000513712770 1027223260 /nfs/dbraw/zinc/22/32/60/1027223260.db2.gz FMQLLZUMZRAMKG-RJGXRXQPSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1ncc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813701 1027243863 /nfs/dbraw/zinc/24/38/63/1027243863.db2.gz DZMVBAGYHACXKR-YOEHRIQHSA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813701 1027243871 /nfs/dbraw/zinc/24/38/71/1027243871.db2.gz DZMVBAGYHACXKR-YOEHRIQHSA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813701 1027243886 /nfs/dbraw/zinc/24/38/86/1027243886.db2.gz DZMVBAGYHACXKR-YOEHRIQHSA-N 2 1 344.528 3.718 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000513714177 1027260514 /nfs/dbraw/zinc/26/05/14/1027260514.db2.gz ZPZGAJONTOZMCF-YESZJQIVSA-N 2 1 342.405 3.547 20 0 EHADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000453062383 1027315290 /nfs/dbraw/zinc/31/52/90/1027315290.db2.gz MKIDIBQYSBLGSG-IZBJGVDFSA-N 2 1 348.918 3.647 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000420306319 1027452501 /nfs/dbraw/zinc/45/25/01/1027452501.db2.gz AQRJQXOZKGPVJO-WBVHZDCISA-N 2 1 348.849 3.532 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)cc1 ZINC000420318726 1027466365 /nfs/dbraw/zinc/46/63/65/1027466365.db2.gz OPCZBJRNHOBCLC-BBRMVZONSA-N 2 1 333.501 3.504 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420320666 1027467322 /nfs/dbraw/zinc/46/73/22/1027467322.db2.gz YVLBWNUHZPSTPG-GOSISDBHSA-N 2 1 344.890 3.679 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420320666 1027467329 /nfs/dbraw/zinc/46/73/29/1027467329.db2.gz YVLBWNUHZPSTPG-GOSISDBHSA-N 2 1 344.890 3.679 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000420325668 1027479928 /nfs/dbraw/zinc/47/99/28/1027479928.db2.gz WNPRFIRNPPUJPG-PXNSSMCTSA-N 2 1 328.431 3.714 20 0 EHADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420383306 1027505757 /nfs/dbraw/zinc/50/57/57/1027505757.db2.gz ZENUXMHDYLYIJM-QGZVFWFLSA-N 2 1 336.907 3.821 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420395844 1027510662 /nfs/dbraw/zinc/51/06/62/1027510662.db2.gz DRMGAMHZQOPEOW-CZUORRHYSA-N 2 1 344.890 3.522 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000657597658 1027588134 /nfs/dbraw/zinc/58/81/34/1027588134.db2.gz WFXMCVDTYVRDLC-IBGZPJMESA-N 2 1 344.886 3.505 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H]1C[NH3+] ZINC000422559942 1027789930 /nfs/dbraw/zinc/78/99/30/1027789930.db2.gz FGZLGTABISDPPM-VCBZYWHSSA-N 2 1 327.447 3.693 20 0 EHADMP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532290 1027881377 /nfs/dbraw/zinc/88/13/77/1027881377.db2.gz SEPTUUPHVCHUKN-SFHVURJKSA-N 2 1 331.504 3.520 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000339068133 1027896538 /nfs/dbraw/zinc/89/65/38/1027896538.db2.gz OPOUGFQVHHWFSO-WDSOQIARSA-N 2 1 331.504 3.611 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000339068133 1027896561 /nfs/dbraw/zinc/89/65/61/1027896561.db2.gz OPOUGFQVHHWFSO-WDSOQIARSA-N 2 1 331.504 3.611 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000339068133 1027896586 /nfs/dbraw/zinc/89/65/86/1027896586.db2.gz OPOUGFQVHHWFSO-WDSOQIARSA-N 2 1 331.504 3.611 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000422745262 1027914001 /nfs/dbraw/zinc/91/40/01/1027914001.db2.gz LSGSLMIPZUBMSI-KZNAEPCWSA-N 2 1 335.561 3.771 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)s2)cs1 ZINC000422798537 1027950334 /nfs/dbraw/zinc/95/03/34/1027950334.db2.gz RPZYSHSBVFOIFJ-IUODEOHRSA-N 2 1 335.542 3.843 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000420973440 1027952713 /nfs/dbraw/zinc/95/27/13/1027952713.db2.gz CLKUGGDJVUPEIY-KRWDZBQOSA-N 2 1 349.950 3.893 20 0 EHADMP CN(C)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc2n1 ZINC000422804935 1027954660 /nfs/dbraw/zinc/95/46/60/1027954660.db2.gz ILVKICRFKJOCLE-ICSRJNTNSA-N 2 1 332.451 3.535 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668067 1027974264 /nfs/dbraw/zinc/97/42/64/1027974264.db2.gz CQCOVEADGWCDHQ-YZGWKJHDSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668067 1027974283 /nfs/dbraw/zinc/97/42/83/1027974283.db2.gz CQCOVEADGWCDHQ-YZGWKJHDSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422862113 1027997116 /nfs/dbraw/zinc/99/71/16/1027997116.db2.gz NKPFFMXJQFONGA-OPYAIIAOSA-N 3 1 329.532 3.539 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422875772 1028009651 /nfs/dbraw/zinc/00/96/51/1028009651.db2.gz DFSZPMDVXBIWKY-GJZGRUSLSA-N 2 1 344.890 3.633 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)c1cccc(Br)c1)c1c[nH+]ccc1N ZINC000422883076 1028017792 /nfs/dbraw/zinc/01/77/92/1028017792.db2.gz ULNALMQBTVUASJ-GFCCVEGCSA-N 2 1 348.288 3.885 20 0 EHADMP COCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422891992 1028025205 /nfs/dbraw/zinc/02/52/05/1028025205.db2.gz XFTGWNBKBRTIGK-UXHICEINSA-N 2 1 346.515 3.675 20 0 EHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422874612 1028033848 /nfs/dbraw/zinc/03/38/48/1028033848.db2.gz NWYHNCODEVNSOE-YUMQZZPRSA-N 2 1 327.202 3.810 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]1 ZINC000414703414 1028052177 /nfs/dbraw/zinc/05/21/77/1028052177.db2.gz JRHAOMVIAFXLKN-PMPSAXMXSA-N 2 1 333.545 3.589 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422921564 1028076138 /nfs/dbraw/zinc/07/61/38/1028076138.db2.gz QMJKJCRZBMSFAJ-YHBQJITHSA-N 2 1 344.405 3.871 20 0 EHADMP [NH3+][C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000422966125 1028081065 /nfs/dbraw/zinc/08/10/65/1028081065.db2.gz QRFWMIUWUVTRGJ-CEXWTWQISA-N 2 1 325.456 3.541 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1sccc1Br ZINC000422944899 1028081386 /nfs/dbraw/zinc/08/13/86/1028081386.db2.gz MEDGLZXETZFSHB-VIFPVBQESA-N 2 1 340.290 3.524 20 0 EHADMP C[C@@H]([NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]1 ZINC000423015502 1028127904 /nfs/dbraw/zinc/12/79/04/1028127904.db2.gz RGTVRTMWNIILSE-MLGOLLRUSA-N 2 1 335.904 3.736 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C3)cs1 ZINC000414711776 1028128251 /nfs/dbraw/zinc/12/82/51/1028128251.db2.gz MZBWBBALZUEGTE-TZMCWYRMSA-N 2 1 347.553 3.926 20 0 EHADMP C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423056082 1028151959 /nfs/dbraw/zinc/15/19/59/1028151959.db2.gz WZSTXKXXHHFZCL-INIZCTEOSA-N 2 1 325.456 3.532 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423117345 1028188874 /nfs/dbraw/zinc/18/88/74/1028188874.db2.gz VAFXYZXYCPXJTK-ZWKOTPCHSA-N 2 1 338.442 3.903 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)c2ccccc21 ZINC000423120201 1028189892 /nfs/dbraw/zinc/18/98/92/1028189892.db2.gz FXYLBOBSUPDZFK-HKBOAZHASA-N 2 1 334.463 3.815 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000503925665 1028214359 /nfs/dbraw/zinc/21/43/59/1028214359.db2.gz DHZCNHHKRHKRCY-DOTOQJQBSA-N 2 1 332.479 3.539 20 0 EHADMP CC[C@@H]1CCC[C@@H](C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000414720678 1028244002 /nfs/dbraw/zinc/24/40/02/1028244002.db2.gz CREZZGJYQWAZPE-QRVBRYPASA-N 2 1 344.547 3.581 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2c1c(Br)ccc2F)[C@H]1CCC[NH2+]C1 ZINC000423205706 1028253731 /nfs/dbraw/zinc/25/37/31/1028253731.db2.gz BDRUTXJVEKDAEE-PGUXBMHVSA-N 2 1 341.268 3.553 20 0 EHADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423197873 1028266896 /nfs/dbraw/zinc/26/68/96/1028266896.db2.gz BRCSXOBTNSCSIS-VIFPVBQESA-N 2 1 339.199 3.728 20 0 EHADMP C[NH2+]CCC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423200730 1028269709 /nfs/dbraw/zinc/26/97/09/1028269709.db2.gz MZARXFUSELKXGD-AWEZNQCLSA-N 2 1 331.685 3.753 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)[C@H]1CCC[NH2+]C1 ZINC000423219506 1028284694 /nfs/dbraw/zinc/28/46/94/1028284694.db2.gz TZZWISSTWVGZAQ-IKGGRYGDSA-N 2 1 325.456 3.913 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000423254102 1028315075 /nfs/dbraw/zinc/31/50/75/1028315075.db2.gz XDGVKGYZYZEGGJ-AFXVXQJMSA-N 2 1 349.522 3.719 20 0 EHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421368100 1028326272 /nfs/dbraw/zinc/32/62/72/1028326272.db2.gz FVGCORSYLHXNRY-HOHBBMLPSA-N 2 1 343.559 3.544 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423269337 1028333326 /nfs/dbraw/zinc/33/33/26/1028333326.db2.gz FMJLCPAQYWZRBM-RDJZCZTQSA-N 2 1 343.496 3.523 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C1CC1 ZINC000423274413 1028337765 /nfs/dbraw/zinc/33/77/65/1028337765.db2.gz KJKNQZFHZCYIGK-ZBFHGGJFSA-N 2 1 331.460 3.654 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423276741 1028339101 /nfs/dbraw/zinc/33/91/01/1028339101.db2.gz OYCOFTHRRHLEKK-MNOVXSKESA-N 2 1 325.250 3.701 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423304783 1028357699 /nfs/dbraw/zinc/35/76/99/1028357699.db2.gz ZLJMAGVLFDGMJV-SMDDNHRTSA-N 2 1 331.273 3.626 20 0 EHADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000423302816 1028359332 /nfs/dbraw/zinc/35/93/32/1028359332.db2.gz VZLGNWXFEVVWIA-QFBILLFUSA-N 2 1 343.515 3.778 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCOCC3CCC3)CC23CC3)cc1 ZINC000582964507 1028384510 /nfs/dbraw/zinc/38/45/10/1028384510.db2.gz RSQIXPHVASWSBA-HXUWFJFHSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCOCC3CCC3)CC23CC3)cc1 ZINC000582964507 1028384521 /nfs/dbraw/zinc/38/45/21/1028384521.db2.gz RSQIXPHVASWSBA-HXUWFJFHSA-N 2 1 328.500 3.590 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356439 1028384809 /nfs/dbraw/zinc/38/48/09/1028384809.db2.gz GTOAZBNQUWFCNG-RHSMWYFYSA-N 2 1 329.513 3.835 20 0 EHADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423422060 1028415055 /nfs/dbraw/zinc/41/50/55/1028415055.db2.gz COPGCSROMFARRM-HPXOCHMKSA-N 2 1 338.295 3.593 20 0 EHADMP CC[C@@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CC(F)(F)F ZINC000414519263 1028431424 /nfs/dbraw/zinc/43/14/24/1028431424.db2.gz WYWPBUILJWUEQX-GFCCVEGCSA-N 2 1 349.466 3.978 20 0 EHADMP CC[C@@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CC(F)(F)F ZINC000414519263 1028431431 /nfs/dbraw/zinc/43/14/31/1028431431.db2.gz WYWPBUILJWUEQX-GFCCVEGCSA-N 2 1 349.466 3.978 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423436523 1028444183 /nfs/dbraw/zinc/44/41/83/1028444183.db2.gz PSTZHDRLKALCQJ-FVTFTPSCSA-N 3 1 343.559 3.784 20 0 EHADMP CC[C@H]([NH3+])C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423457467 1028448306 /nfs/dbraw/zinc/44/83/06/1028448306.db2.gz FTUSZODIUVQETL-PUYPPJJSSA-N 2 1 329.307 3.559 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000423469052 1028454750 /nfs/dbraw/zinc/45/47/50/1028454750.db2.gz KHAABZYLVQFZNF-DHSIGJKJSA-N 2 1 347.865 3.918 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2sc(Br)cc21)C1CCCC1 ZINC000423499984 1028467766 /nfs/dbraw/zinc/46/77/66/1028467766.db2.gz JYIRFZOHNIGVDB-RYUDHWBXSA-N 2 1 329.307 3.605 20 0 EHADMP CC(C)CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccoc1 ZINC000423504784 1028470248 /nfs/dbraw/zinc/47/02/48/1028470248.db2.gz HCMIIQDXUGRKOI-SOAGJPPSSA-N 2 1 333.520 3.563 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423487945 1028477598 /nfs/dbraw/zinc/47/75/98/1028477598.db2.gz UYCPITFVTBSSKI-CMOCDZPBSA-N 3 1 341.543 3.551 20 0 EHADMP c1ccc(CN2CC[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423487945 1028477603 /nfs/dbraw/zinc/47/76/03/1028477603.db2.gz UYCPITFVTBSSKI-CMOCDZPBSA-N 2 1 341.543 3.551 20 0 EHADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423528761 1028484710 /nfs/dbraw/zinc/48/47/10/1028484710.db2.gz WTTOQXIILFUAIR-CJNGLKHVSA-N 2 1 331.287 3.803 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720138 1028515739 /nfs/dbraw/zinc/51/57/39/1028515739.db2.gz SLVXRKSINAYPLF-MRXNPFEDSA-N 2 1 327.447 3.682 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720138 1028515751 /nfs/dbraw/zinc/51/57/51/1028515751.db2.gz SLVXRKSINAYPLF-MRXNPFEDSA-N 2 1 327.447 3.682 20 0 EHADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000414757350 1028571766 /nfs/dbraw/zinc/57/17/66/1028571766.db2.gz WWMAJFTXWJJHFH-GOSISDBHSA-N 2 1 334.467 3.599 20 0 EHADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000414761087 1028604426 /nfs/dbraw/zinc/60/44/26/1028604426.db2.gz RZYSMTUDXDUFFI-FGTMMUONSA-N 2 1 331.504 3.504 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000122294343 1028609253 /nfs/dbraw/zinc/60/92/53/1028609253.db2.gz ZWLFUUYQPZXCIJ-VCBZYWHSSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000122294343 1028609288 /nfs/dbraw/zinc/60/92/88/1028609288.db2.gz ZWLFUUYQPZXCIJ-VCBZYWHSSA-N 2 1 340.458 3.752 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000247007559 1028725235 /nfs/dbraw/zinc/72/52/35/1028725235.db2.gz PKAYYZLJICBIII-MOPGFXCFSA-N 2 1 343.515 3.602 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000247007559 1028725252 /nfs/dbraw/zinc/72/52/52/1028725252.db2.gz PKAYYZLJICBIII-MOPGFXCFSA-N 2 1 343.515 3.602 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000247007559 1028725271 /nfs/dbraw/zinc/72/52/71/1028725271.db2.gz PKAYYZLJICBIII-MOPGFXCFSA-N 2 1 343.515 3.602 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnccn1 ZINC000247231333 1028762899 /nfs/dbraw/zinc/76/28/99/1028762899.db2.gz YHXOLZXMRRKOLN-KZNAEPCWSA-N 2 1 338.499 3.805 20 0 EHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771621 1028764279 /nfs/dbraw/zinc/76/42/79/1028764279.db2.gz ABOWKGVHJMQKFN-CVEARBPZSA-N 2 1 345.487 3.771 20 0 EHADMP COC1([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CCCCC1 ZINC000421835934 1028825844 /nfs/dbraw/zinc/82/58/44/1028825844.db2.gz QMMOCZWSVUDOQP-QGZVFWFLSA-N 2 1 331.504 3.686 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(C)C)c(F)c1 ZINC000421819198 1028835488 /nfs/dbraw/zinc/83/54/88/1028835488.db2.gz FQUMTCSAGLBWEJ-HXUWFJFHSA-N 2 1 334.479 3.995 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777977 1028878689 /nfs/dbraw/zinc/87/86/89/1028878689.db2.gz ISQUSCONTBVHLS-CHWSQXEVSA-N 2 1 330.369 3.666 20 0 EHADMP c1csc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000424267586 1028924228 /nfs/dbraw/zinc/92/42/28/1028924228.db2.gz MQJHGJKVWFCQJJ-KURKYZTESA-N 2 1 327.497 3.643 20 0 EHADMP c1csc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424269412 1028925717 /nfs/dbraw/zinc/92/57/17/1028925717.db2.gz PGKQCNPQSCRGND-WMZOPIPTSA-N 2 1 327.497 3.501 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C3)cc1 ZINC000248874550 1028960638 /nfs/dbraw/zinc/96/06/38/1028960638.db2.gz IXPMLTWLOLHOMV-WOZUAGRISA-N 2 1 328.500 3.731 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424328246 1028975730 /nfs/dbraw/zinc/97/57/30/1028975730.db2.gz ZNVZVLFWGJWGEU-CRAIPNDOSA-N 2 1 340.496 3.858 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OCc1ccccc1 ZINC000424365037 1029029325 /nfs/dbraw/zinc/02/93/25/1029029325.db2.gz FXDLTQJGJUUXBO-RTBURBONSA-N 2 1 340.467 3.634 20 0 EHADMP CCCCOc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424368584 1029032064 /nfs/dbraw/zinc/03/20/64/1029032064.db2.gz APKFSRUZCRVAJY-KRWDZBQOSA-N 2 1 346.515 3.838 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(F)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424382819 1029037523 /nfs/dbraw/zinc/03/75/23/1029037523.db2.gz SXXFJCYQSIEYDO-LBPRGKRZSA-N 2 1 330.369 3.809 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789274 1029077832 /nfs/dbraw/zinc/07/78/32/1029077832.db2.gz YINIJLNWGTWFFQ-MSOLQXFVSA-N 2 1 341.524 3.940 20 0 EHADMP c1cc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790083 1029082874 /nfs/dbraw/zinc/08/28/74/1029082874.db2.gz ZKSARAGHQNEKQU-UONOGXRCSA-N 2 1 333.526 3.693 20 0 EHADMP Cc1ccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000271767449 1029159520 /nfs/dbraw/zinc/15/95/20/1029159520.db2.gz UFNIYNMXXPXNKC-FQEVSTJZSA-N 2 1 328.500 3.681 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271868271 1029207695 /nfs/dbraw/zinc/20/76/95/1029207695.db2.gz WXJILCKTVTZWHE-UHFFFAOYSA-N 2 1 341.318 3.523 20 0 EHADMP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000154544294 1029219841 /nfs/dbraw/zinc/21/98/41/1029219841.db2.gz JVDFMWWAVQTVGY-FQEVSTJZSA-N 2 1 345.531 3.585 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000282052684 1029239450 /nfs/dbraw/zinc/23/94/50/1029239450.db2.gz GLYGFGJETCGFNH-WJMWBRGCSA-N 2 1 330.516 3.692 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000282052684 1029239468 /nfs/dbraw/zinc/23/94/68/1029239468.db2.gz GLYGFGJETCGFNH-WJMWBRGCSA-N 2 1 330.516 3.692 20 0 EHADMP C[N@H+](Cc1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285408805 1029283875 /nfs/dbraw/zinc/28/38/75/1029283875.db2.gz FULKJBYXNLUOOF-PBWFPOADSA-N 2 1 341.268 3.645 20 0 EHADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285408805 1029283891 /nfs/dbraw/zinc/28/38/91/1029283891.db2.gz FULKJBYXNLUOOF-PBWFPOADSA-N 2 1 341.268 3.645 20 0 EHADMP C[NH+](Cc1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285408805 1029283910 /nfs/dbraw/zinc/28/39/10/1029283910.db2.gz FULKJBYXNLUOOF-PBWFPOADSA-N 2 1 341.268 3.645 20 0 EHADMP C[NH+](Cc1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285408805 1029283919 /nfs/dbraw/zinc/28/39/19/1029283919.db2.gz FULKJBYXNLUOOF-PBWFPOADSA-N 2 1 341.268 3.645 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCCO[C@H]21 ZINC000245836515 1029358918 /nfs/dbraw/zinc/35/89/18/1029358918.db2.gz CRMCPSVFMRHIRN-GDAAHCPNSA-N 2 1 348.556 3.753 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]2CCCO[C@H]21 ZINC000245836515 1029358930 /nfs/dbraw/zinc/35/89/30/1029358930.db2.gz CRMCPSVFMRHIRN-GDAAHCPNSA-N 2 1 348.556 3.753 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000261630890 1029464351 /nfs/dbraw/zinc/46/43/51/1029464351.db2.gz FLHVYLLPFZZULV-JOCHJYFZSA-N 2 1 346.478 3.710 20 0 EHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501142 1029486887 /nfs/dbraw/zinc/48/68/87/1029486887.db2.gz LKCXNRPDWBZKQG-FCHUYYIVSA-N 2 1 348.490 3.724 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000261741493 1029493925 /nfs/dbraw/zinc/49/39/25/1029493925.db2.gz PGWKMTFOMKOXOE-HXUWFJFHSA-N 2 1 328.431 3.575 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261768504 1029500419 /nfs/dbraw/zinc/50/04/19/1029500419.db2.gz DMXPYHTZUGCTIN-HNNXBMFYSA-N 2 1 330.422 3.767 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272538391 1029503311 /nfs/dbraw/zinc/50/33/11/1029503311.db2.gz KEYYGXDSBAEADA-INIZCTEOSA-N 3 1 326.488 3.563 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162231640 1029513638 /nfs/dbraw/zinc/51/36/38/1029513638.db2.gz VZWHTIGTRWMCRU-INIZCTEOSA-N 2 1 338.499 3.975 20 0 EHADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000261964096 1029541404 /nfs/dbraw/zinc/54/14/04/1029541404.db2.gz AIWCEYYOBXQIAM-ZDUSSCGKSA-N 2 1 336.430 3.814 20 0 EHADMP Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271785 1029550833 /nfs/dbraw/zinc/55/08/33/1029550833.db2.gz XKZYQSFAUBVIDZ-UHFFFAOYSA-N 2 1 341.499 3.711 20 0 EHADMP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271785 1029550841 /nfs/dbraw/zinc/55/08/41/1029550841.db2.gz XKZYQSFAUBVIDZ-UHFFFAOYSA-N 2 1 341.499 3.711 20 0 EHADMP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271785 1029550846 /nfs/dbraw/zinc/55/08/46/1029550846.db2.gz XKZYQSFAUBVIDZ-UHFFFAOYSA-N 2 1 341.499 3.711 20 0 EHADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262246982 1029575343 /nfs/dbraw/zinc/57/53/43/1029575343.db2.gz PPNVPFKZQOANNN-CQSZACIVSA-N 2 1 344.421 3.714 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)c1 ZINC000278218389 1029706049 /nfs/dbraw/zinc/70/60/49/1029706049.db2.gz IOIRJZIDXWNCSV-OAHLLOKOSA-N 2 1 344.455 3.759 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000126359990 1029709837 /nfs/dbraw/zinc/70/98/37/1029709837.db2.gz NITXQQHJGNFTCU-WFASDCNBSA-N 2 1 343.284 3.593 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693166 1029738612 /nfs/dbraw/zinc/73/86/12/1029738612.db2.gz CIGXWQQSWXOBPN-SXLOBPIMSA-N 2 1 332.532 3.530 20 0 EHADMP CCCCCOc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000525195922 1029738893 /nfs/dbraw/zinc/73/88/93/1029738893.db2.gz CFCZLQYQNBBZCT-WMZOPIPTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000525195922 1029738900 /nfs/dbraw/zinc/73/89/00/1029738900.db2.gz CFCZLQYQNBBZCT-WMZOPIPTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000525195922 1029738907 /nfs/dbraw/zinc/73/89/07/1029738907.db2.gz CFCZLQYQNBBZCT-WMZOPIPTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000525195922 1029738913 /nfs/dbraw/zinc/73/89/13/1029738913.db2.gz CFCZLQYQNBBZCT-WMZOPIPTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000525195919 1029739577 /nfs/dbraw/zinc/73/95/77/1029739577.db2.gz CFCZLQYQNBBZCT-AEFFLSMTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000525195919 1029739584 /nfs/dbraw/zinc/73/95/84/1029739584.db2.gz CFCZLQYQNBBZCT-AEFFLSMTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000525195919 1029739591 /nfs/dbraw/zinc/73/95/91/1029739591.db2.gz CFCZLQYQNBBZCT-AEFFLSMTSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000525195919 1029739597 /nfs/dbraw/zinc/73/95/97/1029739597.db2.gz CFCZLQYQNBBZCT-AEFFLSMTSA-N 2 1 334.504 3.837 20 0 EHADMP C[C@@H](NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720410 1029794147 /nfs/dbraw/zinc/79/41/47/1029794147.db2.gz RNSUNDBANRLIRJ-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508720410 1029794151 /nfs/dbraw/zinc/79/41/51/1029794151.db2.gz RNSUNDBANRLIRJ-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720410 1029794159 /nfs/dbraw/zinc/79/41/59/1029794159.db2.gz RNSUNDBANRLIRJ-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446882524 1029838253 /nfs/dbraw/zinc/83/82/53/1029838253.db2.gz ADHQEQDNFOJZQX-UHFFFAOYSA-N 3 1 343.559 3.609 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446882524 1029838258 /nfs/dbraw/zinc/83/82/58/1029838258.db2.gz ADHQEQDNFOJZQX-UHFFFAOYSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000525484683 1029865283 /nfs/dbraw/zinc/86/52/83/1029865283.db2.gz KFPLOOFTCCJPEZ-KZNAEPCWSA-N 2 1 343.515 3.872 20 0 EHADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000525488504 1029867058 /nfs/dbraw/zinc/86/70/58/1029867058.db2.gz UFUROJHYOWEJQA-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000525488504 1029867066 /nfs/dbraw/zinc/86/70/66/1029867066.db2.gz UFUROJHYOWEJQA-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP C[NH+](CCOc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525488504 1029867075 /nfs/dbraw/zinc/86/70/75/1029867075.db2.gz UFUROJHYOWEJQA-CYBMUJFWSA-N 2 1 331.287 3.646 20 0 EHADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000533866282 1029934642 /nfs/dbraw/zinc/93/46/42/1029934642.db2.gz XTKLHTPETVXIJN-AWEZNQCLSA-N 2 1 342.830 3.718 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705260 1029971289 /nfs/dbraw/zinc/97/12/89/1029971289.db2.gz ALQCADKEFNEUNP-ZVDOUQERSA-N 2 1 346.515 3.584 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@@H](C)C1 ZINC000453248002 1029978269 /nfs/dbraw/zinc/97/82/69/1029978269.db2.gz BQJFNIIRFTUUEC-KKSFZXQISA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)[C@@H](C)C1 ZINC000453248002 1029978284 /nfs/dbraw/zinc/97/82/84/1029978284.db2.gz BQJFNIIRFTUUEC-KKSFZXQISA-N 2 1 348.506 3.930 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000657771650 1030142616 /nfs/dbraw/zinc/14/26/16/1030142616.db2.gz DWPOKAJWIAWJOY-PCCBWWKXSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1ncccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771581 1030149036 /nfs/dbraw/zinc/14/90/36/1030149036.db2.gz DFQPAMBOLIBHAT-NRFANRHFSA-N 2 1 335.495 3.782 20 0 EHADMP Oc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657771467 1030152921 /nfs/dbraw/zinc/15/29/21/1030152921.db2.gz IZWYNHLIXOGRST-HXUWFJFHSA-N 2 1 336.479 3.784 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000650719091 1030158444 /nfs/dbraw/zinc/15/84/44/1030158444.db2.gz CTJALPUZNPFZKW-UHFFFAOYSA-N 2 1 337.236 3.597 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2C)[C@@H](C)C1 ZINC000482022879 1030167824 /nfs/dbraw/zinc/16/78/24/1030167824.db2.gz VEAQSFCHGWSZJJ-FPOVZHCZSA-N 2 1 346.559 3.999 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000453371488 1030188522 /nfs/dbraw/zinc/18/85/22/1030188522.db2.gz GKNAVFQEXQBPDM-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP Fc1cnccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772024 1030205256 /nfs/dbraw/zinc/20/52/56/1030205256.db2.gz ISUHCWZAKVCQOE-IBGZPJMESA-N 2 1 339.458 3.613 20 0 EHADMP Fc1cnccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772024 1030205268 /nfs/dbraw/zinc/20/52/68/1030205268.db2.gz ISUHCWZAKVCQOE-IBGZPJMESA-N 2 1 339.458 3.613 20 0 EHADMP COC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1F ZINC000453402908 1030210730 /nfs/dbraw/zinc/21/07/30/1030210730.db2.gz OBQHWIMLDHFTAX-MRXNPFEDSA-N 2 1 328.859 3.631 20 0 EHADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091281018 1030245200 /nfs/dbraw/zinc/24/52/00/1030245200.db2.gz XTHTXWSKHCDLCZ-QGZVFWFLSA-N 2 1 348.494 3.672 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091281018 1030245214 /nfs/dbraw/zinc/24/52/14/1030245214.db2.gz XTHTXWSKHCDLCZ-QGZVFWFLSA-N 2 1 348.494 3.672 20 0 EHADMP C[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000159602661 1030286675 /nfs/dbraw/zinc/28/66/75/1030286675.db2.gz JUTQVQDUOZBAEN-AEFFLSMTSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000159602661 1030286688 /nfs/dbraw/zinc/28/66/88/1030286688.db2.gz JUTQVQDUOZBAEN-AEFFLSMTSA-N 2 1 329.532 3.548 20 0 EHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121893149 1030434980 /nfs/dbraw/zinc/43/49/80/1030434980.db2.gz NZJXQFQEKNCKOR-KSSFIOAISA-N 2 1 334.891 3.936 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000482491621 1030476013 /nfs/dbraw/zinc/47/60/13/1030476013.db2.gz RGEPNPHRPVEHIP-UHFFFAOYSA-N 2 1 334.552 3.679 20 0 EHADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526989521 1030550956 /nfs/dbraw/zinc/55/09/56/1030550956.db2.gz NLNONIUSQNJFAP-MRXNPFEDSA-N 2 1 327.497 3.632 20 0 EHADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526989521 1030550971 /nfs/dbraw/zinc/55/09/71/1030550971.db2.gz NLNONIUSQNJFAP-MRXNPFEDSA-N 2 1 327.497 3.632 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000482629351 1030593030 /nfs/dbraw/zinc/59/30/30/1030593030.db2.gz MMYCLLPLEPVUQS-UZKOGDIHSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482629351 1030593041 /nfs/dbraw/zinc/59/30/41/1030593041.db2.gz MMYCLLPLEPVUQS-UZKOGDIHSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000482629351 1030593052 /nfs/dbraw/zinc/59/30/52/1030593052.db2.gz MMYCLLPLEPVUQS-UZKOGDIHSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC000925203376 1030627379 /nfs/dbraw/zinc/62/73/79/1030627379.db2.gz ZVNKRQZMTXOXFV-UIFIKXQLSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644445 1030650473 /nfs/dbraw/zinc/65/04/73/1030650473.db2.gz KTPZOOCBPAEUFU-YLJYHZDGSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644445 1030650487 /nfs/dbraw/zinc/65/04/87/1030650487.db2.gz KTPZOOCBPAEUFU-YLJYHZDGSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644445 1030650500 /nfs/dbraw/zinc/65/05/00/1030650500.db2.gz KTPZOOCBPAEUFU-YLJYHZDGSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644445 1030650508 /nfs/dbraw/zinc/65/05/08/1030650508.db2.gz KTPZOOCBPAEUFU-YLJYHZDGSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000157589635 1030666224 /nfs/dbraw/zinc/66/62/24/1030666224.db2.gz UJOLKHYMCPUIAZ-OALUTQOASA-N 2 1 340.515 3.826 20 0 EHADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000151133648 1030682680 /nfs/dbraw/zinc/68/26/80/1030682680.db2.gz NYNJGWRQLSMYRK-KBPBESRZSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000151133648 1030682686 /nfs/dbraw/zinc/68/26/86/1030682686.db2.gz NYNJGWRQLSMYRK-KBPBESRZSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000151133648 1030682690 /nfs/dbraw/zinc/68/26/90/1030682690.db2.gz NYNJGWRQLSMYRK-KBPBESRZSA-N 2 1 340.895 3.740 20 0 EHADMP CC(C)CC[C@@H](O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482822606 1030732640 /nfs/dbraw/zinc/73/26/40/1030732640.db2.gz AYXURSFALYXCKI-JYRKZWEQSA-N 2 1 332.532 3.530 20 0 EHADMP CC(C)CC[C@H](O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482822605 1030732719 /nfs/dbraw/zinc/73/27/19/1030732719.db2.gz AYXURSFALYXCKI-IZZBFERCSA-N 2 1 332.532 3.530 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H]2CCC[C@@H]21 ZINC000550859908 1030746889 /nfs/dbraw/zinc/74/68/89/1030746889.db2.gz DPAKIPCCPQYMAJ-BPUTZDHNSA-N 2 1 341.268 3.551 20 0 EHADMP C[C@H](CC[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000194558624 1030870986 /nfs/dbraw/zinc/87/09/86/1030870986.db2.gz HAAYRVOSHKYTRL-LJQANCHMSA-N 2 1 330.516 3.805 20 0 EHADMP C[N@H+]1CC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550997489 1030873626 /nfs/dbraw/zinc/87/36/26/1030873626.db2.gz YZQMXGJQEQFCIH-IEBWSBKVSA-N 2 1 329.532 3.721 20 0 EHADMP CN1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550997489 1030873642 /nfs/dbraw/zinc/87/36/42/1030873642.db2.gz YZQMXGJQEQFCIH-IEBWSBKVSA-N 2 1 329.532 3.721 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000551000692 1030887064 /nfs/dbraw/zinc/88/70/64/1030887064.db2.gz QRHVPTIOWVVWQE-GMAHTHKFSA-N 2 1 349.522 3.864 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000551000692 1030887086 /nfs/dbraw/zinc/88/70/86/1030887086.db2.gz QRHVPTIOWVVWQE-GMAHTHKFSA-N 2 1 349.522 3.864 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457211 1030938339 /nfs/dbraw/zinc/93/83/39/1030938339.db2.gz MFDSYRJABNTQES-BWAGFHJFSA-N 2 1 338.495 3.529 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000537695646 1031023579 /nfs/dbraw/zinc/02/35/79/1031023579.db2.gz AKHSJUKNOCRIFP-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000537695646 1031023592 /nfs/dbraw/zinc/02/35/92/1031023592.db2.gz AKHSJUKNOCRIFP-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000537695646 1031023612 /nfs/dbraw/zinc/02/36/12/1031023612.db2.gz AKHSJUKNOCRIFP-ZBFHGGJFSA-N 2 1 328.378 3.501 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000551084091 1031028145 /nfs/dbraw/zinc/02/81/45/1031028145.db2.gz SBCYSJGDUNDFNP-GJZGRUSLSA-N 2 1 332.435 3.707 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000551084091 1031028160 /nfs/dbraw/zinc/02/81/60/1031028160.db2.gz SBCYSJGDUNDFNP-GJZGRUSLSA-N 2 1 332.435 3.707 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000343498646 1031143885 /nfs/dbraw/zinc/14/38/85/1031143885.db2.gz SOKXGHDTPLMURD-XUVXKRRUSA-N 2 1 345.531 3.507 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000343498646 1031143887 /nfs/dbraw/zinc/14/38/87/1031143887.db2.gz SOKXGHDTPLMURD-XUVXKRRUSA-N 2 1 345.531 3.507 20 0 EHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263810 1031176781 /nfs/dbraw/zinc/17/67/81/1031176781.db2.gz UELDRLMSUPLTSY-IRFCIJBXSA-N 2 1 344.543 3.939 20 0 EHADMP CC(C)C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000551267412 1031180624 /nfs/dbraw/zinc/18/06/24/1031180624.db2.gz OPIXIAVKFDKWAJ-LZBANZJXSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483497378 1031192944 /nfs/dbraw/zinc/19/29/44/1031192944.db2.gz BCLCBVAWQXSKII-NHCUHLMSSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483497378 1031192952 /nfs/dbraw/zinc/19/29/52/1031192952.db2.gz BCLCBVAWQXSKII-NHCUHLMSSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483497378 1031192958 /nfs/dbraw/zinc/19/29/58/1031192958.db2.gz BCLCBVAWQXSKII-NHCUHLMSSA-N 2 1 330.516 3.788 20 0 EHADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cscn1)CC2 ZINC001137592542 1031228576 /nfs/dbraw/zinc/22/85/76/1031228576.db2.gz RUAJKGWWGMGMAM-QGZVFWFLSA-N 2 1 331.485 3.613 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cscn1)CC2 ZINC001137592542 1031228585 /nfs/dbraw/zinc/22/85/85/1031228585.db2.gz RUAJKGWWGMGMAM-QGZVFWFLSA-N 2 1 331.485 3.613 20 0 EHADMP c1ccc2c(c1)snc2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903203181 1031283161 /nfs/dbraw/zinc/28/31/61/1031283161.db2.gz IZPWIHWLFVAYMK-VHRNVKJDSA-N 2 1 327.497 3.586 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)cn1 ZINC000527844151 1031323275 /nfs/dbraw/zinc/32/32/75/1031323275.db2.gz XJFKVMRPPYQDFJ-OAQYLSRUSA-N 2 1 343.515 3.928 20 0 EHADMP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000527860809 1031338149 /nfs/dbraw/zinc/33/81/49/1031338149.db2.gz YEMXCWDLTSGNQD-RTBURBONSA-N 2 1 331.548 3.878 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000527938443 1031460430 /nfs/dbraw/zinc/46/04/30/1031460430.db2.gz ZGFSBAPJUHOMMO-BHIFYINESA-N 2 1 342.527 3.646 20 0 EHADMP COCCC1CC[NH+](C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000527935700 1031499938 /nfs/dbraw/zinc/49/99/38/1031499938.db2.gz OUQQABJAQQTCGK-UHFFFAOYSA-N 2 1 348.506 3.581 20 0 EHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cn(C)nc3c2)CC1 ZINC000527961264 1031527704 /nfs/dbraw/zinc/52/77/04/1031527704.db2.gz HYLRDWQELXLEMB-KKSFZXQISA-N 2 1 340.515 3.706 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4cn(C)nc4c3)CC2)C1 ZINC000527961146 1031529229 /nfs/dbraw/zinc/52/92/29/1031529229.db2.gz HCIPVBOBMJPPTP-OXQOHEQNSA-N 2 1 340.515 3.706 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343592973 1031552081 /nfs/dbraw/zinc/55/20/81/1031552081.db2.gz AHGWPPMOCVTAMQ-IEBWSBKVSA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343592973 1031552088 /nfs/dbraw/zinc/55/20/88/1031552088.db2.gz AHGWPPMOCVTAMQ-IEBWSBKVSA-N 2 1 344.890 3.551 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000178035473 1031610531 /nfs/dbraw/zinc/61/05/31/1031610531.db2.gz XTHMXQYXLVJDRR-ZNMIVQPWSA-N 2 1 326.431 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)cc1 ZINC000178067262 1031617424 /nfs/dbraw/zinc/61/74/24/1031617424.db2.gz ZCCLQAPLSFEVLR-DLBZAZTESA-N 2 1 326.488 3.563 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)ccc1OC(F)F ZINC000178409625 1031695986 /nfs/dbraw/zinc/69/59/86/1031695986.db2.gz XWBCRICXIAEBSG-AWEZNQCLSA-N 2 1 342.430 3.823 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3F)CC2)nc(C)[nH+]1 ZINC000178696029 1031716016 /nfs/dbraw/zinc/71/60/16/1031716016.db2.gz FXHRMOADZLWHAK-ZDUSSCGKSA-N 2 1 346.425 3.691 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000179109108 1031751512 /nfs/dbraw/zinc/75/15/12/1031751512.db2.gz NFQCSPGSPYHIAD-YWZLYKJASA-N 2 1 339.483 3.820 20 0 EHADMP CC(C)COCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584112753 1031758338 /nfs/dbraw/zinc/75/83/38/1031758338.db2.gz HLAFZRMTURQXCQ-FQEVSTJZSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)COCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584112753 1031758347 /nfs/dbraw/zinc/75/83/47/1031758347.db2.gz HLAFZRMTURQXCQ-FQEVSTJZSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013823 1031972680 /nfs/dbraw/zinc/97/26/80/1031972680.db2.gz ZEQYJHRZXRKCLY-VXGBXAGGSA-N 2 1 331.323 3.811 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013823 1031972691 /nfs/dbraw/zinc/97/26/91/1031972691.db2.gz ZEQYJHRZXRKCLY-VXGBXAGGSA-N 2 1 331.323 3.811 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282082933 1032012060 /nfs/dbraw/zinc/01/20/60/1032012060.db2.gz HTFPCPNIPOPXSU-FQEVSTJZSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282082937 1032012285 /nfs/dbraw/zinc/01/22/85/1032012285.db2.gz HTFPCPNIPOPXSU-HXUWFJFHSA-N 2 1 328.500 3.590 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)CC1 ZINC000685462806 1033356207 /nfs/dbraw/zinc/35/62/07/1033356207.db2.gz ILQHULVXACQXNM-FQEVSTJZSA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000685463123 1033357615 /nfs/dbraw/zinc/35/76/15/1033357615.db2.gz JCEQAVZDILBXCN-HXUWFJFHSA-N 2 1 330.516 3.899 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)c1cccnc1 ZINC000685469969 1033366616 /nfs/dbraw/zinc/36/66/16/1033366616.db2.gz ZGNHUTWCYRLLLP-QGZVFWFLSA-N 2 1 327.472 3.605 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657902034 1033448382 /nfs/dbraw/zinc/44/83/82/1033448382.db2.gz ZQFKMDXQIWTKNH-RLHVNXBHSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657902034 1033448389 /nfs/dbraw/zinc/44/83/89/1033448389.db2.gz ZQFKMDXQIWTKNH-RLHVNXBHSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCc1ccccc1 ZINC001168297511 1033575300 /nfs/dbraw/zinc/57/53/00/1033575300.db2.gz ADLWJQKTIBGCHM-ACAXCVFMSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](CSCCF)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000595033776 1033655175 /nfs/dbraw/zinc/65/51/75/1033655175.db2.gz CUBPOTLVLUVVQQ-LMMKCTJWSA-N 2 1 338.536 3.968 20 0 EHADMP COC(=O)CC1CCC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000599031991 1033661666 /nfs/dbraw/zinc/66/16/66/1033661666.db2.gz SVEVRARVMXINIB-PGYGNJIDSA-N 2 1 346.515 3.609 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCn3nccc32)C[N@H+]1Cc1ccccc1 ZINC000657933737 1033684757 /nfs/dbraw/zinc/68/47/57/1033684757.db2.gz VCNROLYQRYYIBP-MISYRCLQSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2O)CCN1Cc1ccccc1 ZINC000574986960 1033752210 /nfs/dbraw/zinc/75/22/10/1033752210.db2.gz VLPRFHBQGWVPFL-GFOJFJKKSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000574986960 1033752230 /nfs/dbraw/zinc/75/22/30/1033752230.db2.gz VLPRFHBQGWVPFL-GFOJFJKKSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000574986960 1033752246 /nfs/dbraw/zinc/75/22/46/1033752246.db2.gz VLPRFHBQGWVPFL-GFOJFJKKSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986960 1033752259 /nfs/dbraw/zinc/75/22/59/1033752259.db2.gz VLPRFHBQGWVPFL-GFOJFJKKSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986960 1033752270 /nfs/dbraw/zinc/75/22/70/1033752270.db2.gz VLPRFHBQGWVPFL-GFOJFJKKSA-N 2 1 330.516 3.522 20 0 EHADMP FCC1(CF)CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000657970487 1033771298 /nfs/dbraw/zinc/77/12/98/1033771298.db2.gz DFSCFMBHYFJGNX-DFQSSKMNSA-N 2 1 348.481 3.965 20 0 EHADMP CC(C)[C@@H]1C[NH+](C/C=C/C[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577907 1033772299 /nfs/dbraw/zinc/77/22/99/1033772299.db2.gz SIIGKPURBZQPGQ-FBLDJFESSA-N 2 1 342.618 3.689 20 0 EHADMP CC(C)[C@@H]1C[N@H+](C/C=C/C[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577907 1033772314 /nfs/dbraw/zinc/77/23/14/1033772314.db2.gz SIIGKPURBZQPGQ-FBLDJFESSA-N 2 1 342.618 3.689 20 0 EHADMP CC(C)[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577907 1033772331 /nfs/dbraw/zinc/77/23/31/1033772331.db2.gz SIIGKPURBZQPGQ-FBLDJFESSA-N 2 1 342.618 3.689 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4COC5(CCC5)C4)[C@H]3C2)cc1 ZINC000657970082 1033773150 /nfs/dbraw/zinc/77/31/50/1033773150.db2.gz ANIKYCIFMRIEGU-WOZUAGRISA-N 2 1 340.511 3.588 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658061949 1033877542 /nfs/dbraw/zinc/87/75/42/1033877542.db2.gz PWYAJMWWNTXODW-WIYYLYMNSA-N 2 1 343.559 3.544 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000658061949 1033877552 /nfs/dbraw/zinc/87/75/52/1033877552.db2.gz PWYAJMWWNTXODW-WIYYLYMNSA-N 2 1 343.559 3.544 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658138630 1034001012 /nfs/dbraw/zinc/00/10/12/1034001012.db2.gz JOFNXWHAEREJON-VGOFRKELSA-N 2 1 338.495 3.666 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1F ZINC000658138373 1034001459 /nfs/dbraw/zinc/00/14/59/1034001459.db2.gz MNZLJORESVYDEX-NQIIRXRSSA-N 2 1 342.458 3.633 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227172 1034087404 /nfs/dbraw/zinc/08/74/04/1034087404.db2.gz SZEOPQCLOUSJOL-WMZOPIPTSA-N 2 1 346.515 3.631 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227172 1034087419 /nfs/dbraw/zinc/08/74/19/1034087419.db2.gz SZEOPQCLOUSJOL-WMZOPIPTSA-N 2 1 346.515 3.631 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230307 1034090655 /nfs/dbraw/zinc/09/06/55/1034090655.db2.gz XTHHVCFAVSTNKG-IRXDYDNUSA-N 2 1 340.515 3.881 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230307 1034090669 /nfs/dbraw/zinc/09/06/69/1034090669.db2.gz XTHHVCFAVSTNKG-IRXDYDNUSA-N 2 1 340.515 3.881 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1(F)F ZINC000658216220 1034099644 /nfs/dbraw/zinc/09/96/44/1034099644.db2.gz AMYDFPFGHQKUEV-FCGDIQPGSA-N 2 1 334.454 3.922 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324064 1034133950 /nfs/dbraw/zinc/13/39/50/1034133950.db2.gz MGDGDTZPKRWNDG-NHCUHLMSSA-N 2 1 335.580 3.693 20 0 EHADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450325824 1034139177 /nfs/dbraw/zinc/13/91/77/1034139177.db2.gz VQHZYAVMTLSULG-URVUXULASA-N 2 1 344.543 3.595 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658320208 1034194093 /nfs/dbraw/zinc/19/40/93/1034194093.db2.gz RPPUCEVYALYPRC-GHTZIAJQSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@@H+]1Cc1ccccc1 ZINC000421837049 1034249386 /nfs/dbraw/zinc/24/93/86/1034249386.db2.gz RWPFRQGJIQOYRE-STZQEDGTSA-N 2 1 349.522 3.972 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@H+]1Cc1ccccc1 ZINC000421837049 1034249399 /nfs/dbraw/zinc/24/93/99/1034249399.db2.gz RWPFRQGJIQOYRE-STZQEDGTSA-N 2 1 349.522 3.972 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120006055 1034273735 /nfs/dbraw/zinc/27/37/35/1034273735.db2.gz WOZNYBYFXYYMIS-VQIMIIECSA-N 2 1 344.499 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120006055 1034273749 /nfs/dbraw/zinc/27/37/49/1034273749.db2.gz WOZNYBYFXYYMIS-VQIMIIECSA-N 2 1 344.499 3.968 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000450442323 1034337861 /nfs/dbraw/zinc/33/78/61/1034337861.db2.gz SPIVEBTULMSMGU-KRWDZBQOSA-N 2 1 332.463 3.596 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000450442323 1034337876 /nfs/dbraw/zinc/33/78/76/1034337876.db2.gz SPIVEBTULMSMGU-KRWDZBQOSA-N 2 1 332.463 3.596 20 0 EHADMP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000534349796 1034424716 /nfs/dbraw/zinc/42/47/16/1034424716.db2.gz DIMSSWMAZICKPJ-NRFANRHFSA-N 2 1 330.516 3.777 20 0 EHADMP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000534349796 1034424725 /nfs/dbraw/zinc/42/47/25/1034424725.db2.gz DIMSSWMAZICKPJ-NRFANRHFSA-N 2 1 330.516 3.777 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349782 1034425054 /nfs/dbraw/zinc/42/50/54/1034425054.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349782 1034425058 /nfs/dbraw/zinc/42/50/58/1034425058.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349782 1034425067 /nfs/dbraw/zinc/42/50/67/1034425067.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000534349782 1034425077 /nfs/dbraw/zinc/42/50/77/1034425077.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349782 1034425085 /nfs/dbraw/zinc/42/50/85/1034425085.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349782 1034425092 /nfs/dbraw/zinc/42/50/92/1034425092.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349782 1034425099 /nfs/dbraw/zinc/42/50/99/1034425099.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000534349782 1034425107 /nfs/dbraw/zinc/42/51/07/1034425107.db2.gz OFTNMWMAZZVLAS-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000340185874 1034441342 /nfs/dbraw/zinc/44/13/42/1034441342.db2.gz QECJZTWZAVKVBQ-IRLDBZIGSA-N 2 1 346.478 3.797 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340220442 1034470228 /nfs/dbraw/zinc/47/02/28/1034470228.db2.gz AHGRIIIUHFYJBQ-AEFFLSMTSA-N 2 1 329.513 3.673 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340220442 1034470237 /nfs/dbraw/zinc/47/02/37/1034470237.db2.gz AHGRIIIUHFYJBQ-AEFFLSMTSA-N 2 1 329.513 3.673 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340362437 1034493553 /nfs/dbraw/zinc/49/35/53/1034493553.db2.gz UXPRJAOCPXDUJO-QKNQBKEWSA-N 2 1 342.483 3.652 20 0 EHADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340362437 1034493562 /nfs/dbraw/zinc/49/35/62/1034493562.db2.gz UXPRJAOCPXDUJO-QKNQBKEWSA-N 2 1 342.483 3.652 20 0 EHADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2cc(Br)ccc12 ZINC000604755666 1034498631 /nfs/dbraw/zinc/49/86/31/1034498631.db2.gz MHDLGBSNXWPPBR-UHFFFAOYSA-N 2 1 336.277 3.997 20 0 EHADMP CO[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918292 1034800356 /nfs/dbraw/zinc/80/03/56/1034800356.db2.gz LAPJVQPKKGRYAZ-RBUKOAKNSA-N 2 1 336.907 3.978 20 0 EHADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918292 1034800365 /nfs/dbraw/zinc/80/03/65/1034800365.db2.gz LAPJVQPKKGRYAZ-RBUKOAKNSA-N 2 1 336.907 3.978 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000375888151 1034837145 /nfs/dbraw/zinc/83/71/45/1034837145.db2.gz KJTJDTGGRYUQCE-XLCOUGHXSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000375888151 1034837156 /nfs/dbraw/zinc/83/71/56/1034837156.db2.gz KJTJDTGGRYUQCE-XLCOUGHXSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000375888151 1034837168 /nfs/dbraw/zinc/83/71/68/1034837168.db2.gz KJTJDTGGRYUQCE-XLCOUGHXSA-N 3 1 341.543 3.646 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(CO)c2)cc1F ZINC000121443828 1034952348 /nfs/dbraw/zinc/95/23/48/1034952348.db2.gz KZQZQYCVFMMCNM-CQSZACIVSA-N 2 1 339.414 3.663 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000065976603 1035047601 /nfs/dbraw/zinc/04/76/01/1035047601.db2.gz IZSIGCBDGZPVNC-UHFFFAOYSA-N 2 1 342.483 3.834 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498752 1035359157 /nfs/dbraw/zinc/35/91/57/1035359157.db2.gz PPGLMOFGBDPGCZ-HKUYNNGSSA-N 2 1 325.456 3.742 20 0 EHADMP Cc1ncsc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289813091 1035436077 /nfs/dbraw/zinc/43/60/77/1035436077.db2.gz ZUTAMCVSKKNBNW-GOSISDBHSA-N 2 1 329.513 3.843 20 0 EHADMP Cc1ncsc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289813091 1035436081 /nfs/dbraw/zinc/43/60/81/1035436081.db2.gz ZUTAMCVSKKNBNW-GOSISDBHSA-N 2 1 329.513 3.843 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000414078953 1035454835 /nfs/dbraw/zinc/45/48/35/1035454835.db2.gz BNERDFLVKQTTRH-OPYAIIAOSA-N 2 1 348.531 3.791 20 0 EHADMP Cc1ccc(OCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492330306 1035630557 /nfs/dbraw/zinc/63/05/57/1035630557.db2.gz OYCQWBTWQMULAV-FPOVZHCZSA-N 2 1 338.495 3.874 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000397291183 1035708416 /nfs/dbraw/zinc/70/84/16/1035708416.db2.gz AFNGXIHKCFQTKE-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000397291183 1035708438 /nfs/dbraw/zinc/70/84/38/1035708438.db2.gz AFNGXIHKCFQTKE-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@H]([NH2+]CCOc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463642 1035823806 /nfs/dbraw/zinc/82/38/06/1035823806.db2.gz JDMGNKKIRXBONQ-HKUYNNGSSA-N 2 1 342.458 3.705 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689500 1035973751 /nfs/dbraw/zinc/97/37/51/1035973751.db2.gz ZZNROLBBKJHGQZ-NHCUHLMSSA-N 2 1 344.474 3.605 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689500 1035973770 /nfs/dbraw/zinc/97/37/70/1035973770.db2.gz ZZNROLBBKJHGQZ-NHCUHLMSSA-N 2 1 344.474 3.605 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892581211 1036273419 /nfs/dbraw/zinc/27/34/19/1036273419.db2.gz VDCJZBVCRXLPEQ-MDMXATFFSA-N 2 1 330.516 3.702 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892584500 1036317318 /nfs/dbraw/zinc/31/73/18/1036317318.db2.gz LAMPGPCKXOPCOU-LBPRGKRZSA-N 2 1 335.439 3.906 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892584500 1036317338 /nfs/dbraw/zinc/31/73/38/1036317338.db2.gz LAMPGPCKXOPCOU-LBPRGKRZSA-N 2 1 335.439 3.906 20 0 EHADMP CCC[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000191199732 1036344585 /nfs/dbraw/zinc/34/45/85/1036344585.db2.gz RVAYJCPIYXYTDY-WOJBJXKFSA-N 2 1 344.524 3.598 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168389891 1036379530 /nfs/dbraw/zinc/37/95/30/1036379530.db2.gz XIGDZXACCAXJGF-HXUWFJFHSA-N 2 1 342.527 3.824 20 0 EHADMP CN(CC(C)(C)[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000658981892 1036669761 /nfs/dbraw/zinc/66/97/61/1036669761.db2.gz HMDAMTGXNPDJBN-UHFFFAOYSA-N 2 1 346.519 3.652 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000414344429 1036800362 /nfs/dbraw/zinc/80/03/62/1036800362.db2.gz ZMEWWRZBHSJJPO-BAGYTPMASA-N 2 1 349.522 3.859 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344627 1036804399 /nfs/dbraw/zinc/80/43/99/1036804399.db2.gz ZNFXEIWJRDFUHO-GHTZIAJQSA-N 2 1 337.511 3.859 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000310512616 1036851389 /nfs/dbraw/zinc/85/13/89/1036851389.db2.gz MFJYMQRGSBVXOT-SFHVURJKSA-N 2 1 345.487 3.705 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3cc(F)ccc3C2)[nH+]1 ZINC001168448863 1037017498 /nfs/dbraw/zinc/01/74/98/1037017498.db2.gz QRNOZIVXXOGTEF-HXUWFJFHSA-N 2 1 339.458 3.645 20 0 EHADMP Cc1ncsc1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000178390893 1037032741 /nfs/dbraw/zinc/03/27/41/1037032741.db2.gz DIYRWGDWVOWZLC-MRXNPFEDSA-N 2 1 335.561 3.971 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000057887209 1037230258 /nfs/dbraw/zinc/23/02/58/1037230258.db2.gz ADYNTDNYULRVMG-QGZVFWFLSA-N 2 1 336.483 3.988 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280020 1037237809 /nfs/dbraw/zinc/23/78/09/1037237809.db2.gz GKFVSBAWHCLKHA-MJGOQNOKSA-N 2 1 336.907 3.760 20 0 EHADMP CC(C)(C)C1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462726494 1037315476 /nfs/dbraw/zinc/31/54/76/1037315476.db2.gz ITEDWOSSSYUBSV-AOMIVXANSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)(C)C1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462726494 1037315483 /nfs/dbraw/zinc/31/54/83/1037315483.db2.gz ITEDWOSSSYUBSV-AOMIVXANSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000532450014 1037319270 /nfs/dbraw/zinc/31/92/70/1037319270.db2.gz BRMAYXVXGRZLEI-KNQAVFIVSA-N 2 1 337.511 3.716 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494645 1037541504 /nfs/dbraw/zinc/54/15/04/1037541504.db2.gz QILBFNBVCQQFMK-APWZRJJASA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494645 1037541514 /nfs/dbraw/zinc/54/15/14/1037541514.db2.gz QILBFNBVCQQFMK-APWZRJJASA-N 2 1 336.545 3.755 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000462957218 1037581882 /nfs/dbraw/zinc/58/18/82/1037581882.db2.gz LNBFFXMRMRBTAW-QFBILLFUSA-N 2 1 331.504 3.509 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000462957218 1037581894 /nfs/dbraw/zinc/58/18/94/1037581894.db2.gz LNBFFXMRMRBTAW-QFBILLFUSA-N 2 1 331.504 3.509 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000540191248 1037659316 /nfs/dbraw/zinc/65/93/16/1037659316.db2.gz NOFLKNPAPDXPKT-HOCLYGCPSA-N 2 1 344.952 3.671 20 0 EHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnn(-c2ccccc2)c1 ZINC000760896455 1037686095 /nfs/dbraw/zinc/68/60/95/1037686095.db2.gz FKKQPUGAFANMTI-QGZVFWFLSA-N 2 1 326.488 3.645 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000540219820 1037721940 /nfs/dbraw/zinc/72/19/40/1037721940.db2.gz OFOKZAKLBCBCNB-IIAWOOMASA-N 2 1 344.421 3.793 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463113392 1037768011 /nfs/dbraw/zinc/76/80/11/1037768011.db2.gz CEDSUXXZDWOKIX-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463113392 1037768023 /nfs/dbraw/zinc/76/80/23/1037768023.db2.gz CEDSUXXZDWOKIX-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP CCc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000540299973 1037779410 /nfs/dbraw/zinc/77/94/10/1037779410.db2.gz FPHJZHHHSUSJLC-RTWAWAEBSA-N 2 1 332.532 3.773 20 0 EHADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463193310 1037856217 /nfs/dbraw/zinc/85/62/17/1037856217.db2.gz RSFUOZLMALWMHI-NRFANRHFSA-N 2 1 329.532 3.756 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463193310 1037856226 /nfs/dbraw/zinc/85/62/26/1037856226.db2.gz RSFUOZLMALWMHI-NRFANRHFSA-N 2 1 329.532 3.756 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000271433855 1037891128 /nfs/dbraw/zinc/89/11/28/1037891128.db2.gz CJHHNBSIQFRVSR-IERDGZPVSA-N 2 1 342.458 3.502 20 0 EHADMP C[C@@H]1C[C@@H](Nc2c[nH+]ccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463282556 1037965754 /nfs/dbraw/zinc/96/57/54/1037965754.db2.gz NKSRKXAEZYKHLZ-MJGOQNOKSA-N 2 1 347.466 3.732 20 0 EHADMP CCCC1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000540505593 1038027867 /nfs/dbraw/zinc/02/78/67/1038027867.db2.gz UBZJJJRCHPFYFH-CBNMVNINSA-N 2 1 335.580 3.693 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378180393 1038151168 /nfs/dbraw/zinc/15/11/68/1038151168.db2.gz VJTYJQZWWJWUGQ-AEGPPILISA-N 2 1 342.936 3.594 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000125247492 1038297240 /nfs/dbraw/zinc/29/72/40/1038297240.db2.gz KTTQIOAITRSUKH-UHFFFAOYSA-N 2 1 328.456 3.702 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000125441920 1038328110 /nfs/dbraw/zinc/32/81/10/1038328110.db2.gz AIVIGLVLZQOAAP-UHFFFAOYSA-N 2 1 341.499 3.779 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000125441920 1038328119 /nfs/dbraw/zinc/32/81/19/1038328119.db2.gz AIVIGLVLZQOAAP-UHFFFAOYSA-N 2 1 341.499 3.779 20 0 EHADMP CN(c1ccccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000538727021 1038494543 /nfs/dbraw/zinc/49/45/43/1038494543.db2.gz NWAQEONAEZDOOT-KDURUIRLSA-N 2 1 341.543 3.839 20 0 EHADMP c1ccc(OCC2CC2)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538799618 1038535626 /nfs/dbraw/zinc/53/56/26/1038535626.db2.gz OTNDYDZARTWPQZ-GHTZIAJQSA-N 2 1 340.511 3.924 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1)CC1CC1 ZINC000538857554 1038567768 /nfs/dbraw/zinc/56/77/68/1038567768.db2.gz GKZUBMIMWIQPTR-UHFFFAOYSA-N 2 1 346.563 3.972 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000539040398 1038649340 /nfs/dbraw/zinc/64/93/40/1038649340.db2.gz AEOWZIMERWGHBJ-RBBKRZOGSA-N 2 1 346.559 3.881 20 0 EHADMP Clc1cnc2oc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000648384604 1038678746 /nfs/dbraw/zinc/67/87/46/1038678746.db2.gz CWSRNXCQMXCRFW-FZKQIMNGSA-N 2 1 345.874 3.930 20 0 EHADMP Clc1cnc2oc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000648384604 1038678750 /nfs/dbraw/zinc/67/87/50/1038678750.db2.gz CWSRNXCQMXCRFW-FZKQIMNGSA-N 2 1 345.874 3.930 20 0 EHADMP Clc1cnc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000648384604 1038678753 /nfs/dbraw/zinc/67/87/53/1038678753.db2.gz CWSRNXCQMXCRFW-FZKQIMNGSA-N 2 1 345.874 3.930 20 0 EHADMP Clc1cnc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000648384604 1038678756 /nfs/dbraw/zinc/67/87/56/1038678756.db2.gz CWSRNXCQMXCRFW-FZKQIMNGSA-N 2 1 345.874 3.930 20 0 EHADMP CC[N@@H+](CCC1CCN(Cc2nnc(C3CC3)o2)CC1)CC(C)C ZINC000539099127 1038685224 /nfs/dbraw/zinc/68/52/24/1038685224.db2.gz WJWZBVWCWZXNEU-UHFFFAOYSA-N 2 1 334.508 3.527 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1)CC(C)C ZINC000539099127 1038685229 /nfs/dbraw/zinc/68/52/29/1038685229.db2.gz WJWZBVWCWZXNEU-UHFFFAOYSA-N 2 1 334.508 3.527 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1)CC(C)C ZINC000539099127 1038685238 /nfs/dbraw/zinc/68/52/38/1038685238.db2.gz WJWZBVWCWZXNEU-UHFFFAOYSA-N 2 1 334.508 3.527 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(Br)ccc1F ZINC000149642227 1038685931 /nfs/dbraw/zinc/68/59/31/1038685931.db2.gz TYXJXIFZYGWBQZ-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CO1 ZINC000660012340 1038706784 /nfs/dbraw/zinc/70/67/84/1038706784.db2.gz SVKGIYAMWYMZOC-AABGKKOBSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000660012340 1038706793 /nfs/dbraw/zinc/70/67/93/1038706793.db2.gz SVKGIYAMWYMZOC-AABGKKOBSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000660012340 1038706802 /nfs/dbraw/zinc/70/68/02/1038706802.db2.gz SVKGIYAMWYMZOC-AABGKKOBSA-N 2 1 328.500 3.540 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCc4ccccc4C3)CCCC2)CC1 ZINC000462109295 1038757410 /nfs/dbraw/zinc/75/74/10/1038757410.db2.gz KNJYWHJREKSOLC-HXUWFJFHSA-N 2 1 342.527 3.557 20 0 EHADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCCc2cccnc21 ZINC000582070412 1038872297 /nfs/dbraw/zinc/87/22/97/1038872297.db2.gz JAXXTPAMZYCOPO-IBGZPJMESA-N 2 1 326.488 3.783 20 0 EHADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCCc2cccnc21 ZINC000582070412 1038872318 /nfs/dbraw/zinc/87/23/18/1038872318.db2.gz JAXXTPAMZYCOPO-IBGZPJMESA-N 2 1 326.488 3.783 20 0 EHADMP CC1=CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000552095624 1038981226 /nfs/dbraw/zinc/98/12/26/1038981226.db2.gz FUHWYTZYRLPIAT-LVCYWYKZSA-N 2 1 328.500 3.884 20 0 EHADMP Fc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519235 1039189464 /nfs/dbraw/zinc/18/94/64/1039189464.db2.gz NXVKOEVROYRIGU-HSALFYBXSA-N 2 1 339.458 3.611 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000237553393 1039385395 /nfs/dbraw/zinc/38/53/95/1039385395.db2.gz DVTCNEQXXCDTPS-QGZVFWFLSA-N 2 1 331.504 3.766 20 0 EHADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658287 1039417996 /nfs/dbraw/zinc/41/79/96/1039417996.db2.gz CFAMZUXKXNBJFM-RDJZCZTQSA-N 2 1 336.414 3.784 20 0 EHADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658287 1039418006 /nfs/dbraw/zinc/41/80/06/1039418006.db2.gz CFAMZUXKXNBJFM-RDJZCZTQSA-N 2 1 336.414 3.784 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485703117 1039451839 /nfs/dbraw/zinc/45/18/39/1039451839.db2.gz FJZRBTKXCGBUGH-RDTXWAMCSA-N 2 1 342.886 3.706 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485703117 1039451849 /nfs/dbraw/zinc/45/18/49/1039451849.db2.gz FJZRBTKXCGBUGH-RDTXWAMCSA-N 2 1 342.886 3.706 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000480611569 1039752620 /nfs/dbraw/zinc/75/26/20/1039752620.db2.gz PUQBBUWTSVTBDF-FGTMMUONSA-N 2 1 346.515 3.867 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCc2ccncc2)CC1 ZINC000554836899 1039814370 /nfs/dbraw/zinc/81/43/70/1039814370.db2.gz JTLILSGTGXVRHT-UHFFFAOYSA-N 2 1 337.511 3.858 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000554881853 1039900765 /nfs/dbraw/zinc/90/07/65/1039900765.db2.gz FOLHEZQXQWLUOX-ZWKOTPCHSA-N 2 1 345.531 3.847 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934192 /nfs/dbraw/zinc/93/41/92/1039934192.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934211 /nfs/dbraw/zinc/93/42/11/1039934211.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934219 /nfs/dbraw/zinc/93/42/19/1039934219.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934237 /nfs/dbraw/zinc/93/42/37/1039934237.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000480722395 1039934258 /nfs/dbraw/zinc/93/42/58/1039934258.db2.gz PSEQDFUWRKVHHQ-VQQMMKBISA-N 2 1 343.559 3.594 20 0 EHADMP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000480730603 1039965864 /nfs/dbraw/zinc/96/58/64/1039965864.db2.gz VRYDAMBXMZSZLS-FVJLSDCUSA-N 2 1 330.516 3.679 20 0 EHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660254452 1040122715 /nfs/dbraw/zinc/12/27/15/1040122715.db2.gz SAQHUAGFIPKEQY-OALUTQOASA-N 2 1 346.540 3.631 20 0 EHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660254452 1040122724 /nfs/dbraw/zinc/12/27/24/1040122724.db2.gz SAQHUAGFIPKEQY-OALUTQOASA-N 2 1 346.540 3.631 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000555099225 1040155654 /nfs/dbraw/zinc/15/56/54/1040155654.db2.gz KXKTUDZFMGTNEF-UCGSKFKCSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000555099225 1040155692 /nfs/dbraw/zinc/15/56/92/1040155692.db2.gz KXKTUDZFMGTNEF-UCGSKFKCSA-N 2 1 338.442 3.963 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000555099225 1040155701 /nfs/dbraw/zinc/15/57/01/1040155701.db2.gz KXKTUDZFMGTNEF-UCGSKFKCSA-N 2 1 338.442 3.963 20 0 EHADMP CC(C)(C[NH2+]Cc1ccccc1OCC(F)(F)F)C[NH+]1CCCC1 ZINC000480912365 1040159085 /nfs/dbraw/zinc/15/90/85/1040159085.db2.gz MVTDQQDFLQOWAD-UHFFFAOYSA-N 2 1 344.421 3.839 20 0 EHADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000512622313 1040289745 /nfs/dbraw/zinc/28/97/45/1040289745.db2.gz ANPNCNOKHBYWPC-NJDAHSKKSA-N 2 1 342.527 3.572 20 0 EHADMP CC(C)CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000555234807 1040320376 /nfs/dbraw/zinc/32/03/76/1040320376.db2.gz AZSNYHCJRZYZNE-RTWAWAEBSA-N 2 1 330.516 3.558 20 0 EHADMP COc1c(O)cccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000490591539 1040619045 /nfs/dbraw/zinc/61/90/45/1040619045.db2.gz OWMOOXXXEYZWBJ-KRWDZBQOSA-N 2 1 346.515 3.877 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C2CC2)[NH+](C)C)cc1F ZINC000481304477 1040643698 /nfs/dbraw/zinc/64/36/98/1040643698.db2.gz IWODTXSMYOWCHI-YTQUADARSA-N 2 1 334.479 3.790 20 0 EHADMP CC(C)OC(=O)C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165156 1040772448 /nfs/dbraw/zinc/77/24/48/1040772448.db2.gz FZUXHLZKSNKJDS-ZWKOTPCHSA-N 2 1 332.488 3.532 20 0 EHADMP CC(C)OC(=O)C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600165156 1040772454 /nfs/dbraw/zinc/77/24/54/1040772454.db2.gz FZUXHLZKSNKJDS-ZWKOTPCHSA-N 2 1 332.488 3.532 20 0 EHADMP C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963862 1040843767 /nfs/dbraw/zinc/84/37/67/1040843767.db2.gz ZUCQNTXVOMCXMQ-GKYDQMIMSA-N 2 1 349.607 3.797 20 0 EHADMP CCOC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000555617170 1040924037 /nfs/dbraw/zinc/92/40/37/1040924037.db2.gz ORUBNNBONLRTTB-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP CCOC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000555617170 1040924055 /nfs/dbraw/zinc/92/40/55/1040924055.db2.gz ORUBNNBONLRTTB-ICSRJNTNSA-N 2 1 330.516 3.978 20 0 EHADMP CC(C)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555615822 1040924970 /nfs/dbraw/zinc/92/49/70/1040924970.db2.gz CXDUPRSUWNKBBV-CTNGQTDRSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411496352 1040926573 /nfs/dbraw/zinc/92/65/73/1040926573.db2.gz MJIKGRBWOBMOLY-QGZVFWFLSA-N 2 1 326.488 3.599 20 0 EHADMP CCc1oc2ccccc2c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785104 1040998719 /nfs/dbraw/zinc/99/87/19/1040998719.db2.gz MBWHGQVIVGIBJC-INIZCTEOSA-N 2 1 330.472 3.538 20 0 EHADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CCCCC2)cc1 ZINC000481556940 1041068184 /nfs/dbraw/zinc/06/81/84/1041068184.db2.gz MFQOLKZCBXFLJQ-XLIONFOSSA-N 2 1 330.516 3.827 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000364448441 1041317163 /nfs/dbraw/zinc/31/71/63/1041317163.db2.gz QKHXLUIPEGJLHG-IYJAJMOOSA-N 2 1 344.528 3.889 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000364448441 1041317170 /nfs/dbraw/zinc/31/71/70/1041317170.db2.gz QKHXLUIPEGJLHG-IYJAJMOOSA-N 2 1 344.528 3.889 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000512972567 1041319823 /nfs/dbraw/zinc/31/98/23/1041319823.db2.gz UOLVMGHEUBQKTG-OBGWFSINSA-N 2 1 328.500 3.797 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000390703973 1041332496 /nfs/dbraw/zinc/33/24/96/1041332496.db2.gz UOUCVMCKHBIDAY-BHDDXSALSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000390703973 1041332511 /nfs/dbraw/zinc/33/25/11/1041332511.db2.gz UOUCVMCKHBIDAY-BHDDXSALSA-N 2 1 342.527 3.836 20 0 EHADMP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000512980389 1041337196 /nfs/dbraw/zinc/33/71/96/1041337196.db2.gz HXXHWPSTVIPMRR-AEFFLSMTSA-N 2 1 343.540 3.891 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000390714325 1041353658 /nfs/dbraw/zinc/35/36/58/1041353658.db2.gz XQZZRQXNQLIVDR-HSALFYBXSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCOC1 ZINC000390714325 1041353668 /nfs/dbraw/zinc/35/36/68/1041353668.db2.gz XQZZRQXNQLIVDR-HSALFYBXSA-N 2 1 330.516 3.692 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000388523152 1041387456 /nfs/dbraw/zinc/38/74/56/1041387456.db2.gz ANMXAUBTFWFUJH-YNEHKIRRSA-N 2 1 329.307 3.521 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661692 1041759886 /nfs/dbraw/zinc/75/98/86/1041759886.db2.gz FGUBUNNHOQEXQJ-LJQANCHMSA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661692 1041759888 /nfs/dbraw/zinc/75/98/88/1041759888.db2.gz FGUBUNNHOQEXQJ-LJQANCHMSA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661692 1041759891 /nfs/dbraw/zinc/75/98/91/1041759891.db2.gz FGUBUNNHOQEXQJ-LJQANCHMSA-N 2 1 331.891 3.712 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(-c3cccc(C)c3)nc2C)[C@H](C)C1 ZINC000651644665 1041836128 /nfs/dbraw/zinc/83/61/28/1041836128.db2.gz YRVRNTVOPSJVAI-UTKZUKDTSA-N 2 1 340.515 3.651 20 0 EHADMP C[C@@H](NCc1cc2cnccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651756457 1041998254 /nfs/dbraw/zinc/99/82/54/1041998254.db2.gz YDMWGOJRUXRXML-SJLPKXTDSA-N 2 1 335.451 3.828 20 0 EHADMP C[C@@H]([NH2+]Cc1cc2cnccc2o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651756457 1041998261 /nfs/dbraw/zinc/99/82/61/1041998261.db2.gz YDMWGOJRUXRXML-SJLPKXTDSA-N 2 1 335.451 3.828 20 0 EHADMP CC(C)c1ccc2c(c1)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000661373568 1042090158 /nfs/dbraw/zinc/09/01/58/1042090158.db2.gz LTLLUZVWLNEGJT-UHFFFAOYSA-N 2 1 343.559 3.584 20 0 EHADMP CC[N@@H+](CCC[NH2+]C1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000651910529 1042173717 /nfs/dbraw/zinc/17/37/17/1042173717.db2.gz XLDAHFMIACJZAH-UHFFFAOYSA-N 2 1 344.547 3.685 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000164601160 1042399384 /nfs/dbraw/zinc/39/93/84/1042399384.db2.gz PZRUKLYFSMTZBZ-OAHLLOKOSA-N 2 1 331.460 3.648 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000388575979 1042524261 /nfs/dbraw/zinc/52/42/61/1042524261.db2.gz IBQAPIWXXQRGON-KGLIPLIRSA-N 2 1 327.310 3.698 20 0 EHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000388575979 1042524264 /nfs/dbraw/zinc/52/42/64/1042524264.db2.gz IBQAPIWXXQRGON-KGLIPLIRSA-N 2 1 327.310 3.698 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662284907 1042658552 /nfs/dbraw/zinc/65/85/52/1042658552.db2.gz QOLVZSLBQRHAQW-AQNXPRMDSA-N 2 1 330.516 3.845 20 0 EHADMP FC(F)n1c2ccccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292612 1042663007 /nfs/dbraw/zinc/66/30/07/1042663007.db2.gz OWVVEPGQABJCCL-HNNXBMFYSA-N 2 1 348.441 3.643 20 0 EHADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298428 1042665877 /nfs/dbraw/zinc/66/58/77/1042665877.db2.gz WCBKQCOQUYPCSA-CRAIPNDOSA-N 2 1 340.471 3.509 20 0 EHADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000925779013 1042911009 /nfs/dbraw/zinc/91/10/09/1042911009.db2.gz LHEKBDBBBXVWGT-GXFFZTMASA-N 2 1 332.847 3.711 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001167834930 1043027278 /nfs/dbraw/zinc/02/72/78/1043027278.db2.gz NXEUVDGPKSGBDV-MOPGFXCFSA-N 2 1 333.520 3.744 20 0 EHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414698 1043130637 /nfs/dbraw/zinc/13/06/37/1043130637.db2.gz ALCYYBZBWWOOPW-CABCVRRESA-N 2 1 344.952 3.813 20 0 EHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414698 1043130643 /nfs/dbraw/zinc/13/06/43/1043130643.db2.gz ALCYYBZBWWOOPW-CABCVRRESA-N 2 1 344.952 3.813 20 0 EHADMP CCCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432424268 1043165376 /nfs/dbraw/zinc/16/53/76/1043165376.db2.gz NRBCPJJFCLNUSF-ROUUACIJSA-N 2 1 334.504 3.627 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000344058408 1043178586 /nfs/dbraw/zinc/17/85/86/1043178586.db2.gz NFAREVMIEPOFSM-RTBURBONSA-N 2 1 343.446 3.757 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344099592 1043256111 /nfs/dbraw/zinc/25/61/11/1043256111.db2.gz GXQVUDJCABPQAS-JOCHJYFZSA-N 2 1 343.559 3.925 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310513340 1043620696 /nfs/dbraw/zinc/62/06/96/1043620696.db2.gz KMERIUGAJZLVRI-VQTJNVASSA-N 2 1 330.516 3.836 20 0 EHADMP COCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512176352 1043645420 /nfs/dbraw/zinc/64/54/20/1043645420.db2.gz CGGHUHCRWFCXJG-NRFANRHFSA-N 2 1 330.516 3.777 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512176352 1043645432 /nfs/dbraw/zinc/64/54/32/1043645432.db2.gz CGGHUHCRWFCXJG-NRFANRHFSA-N 2 1 330.516 3.777 20 0 EHADMP C[C@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)[NH+]1CCCCC1 ZINC000344352757 1043713723 /nfs/dbraw/zinc/71/37/23/1043713723.db2.gz PIONIRHLROOMME-OAHLLOKOSA-N 2 1 330.501 3.559 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000391085251 1043816062 /nfs/dbraw/zinc/81/60/62/1043816062.db2.gz QPYQENPISNETEL-FMKPAKJESA-N 2 1 326.431 3.681 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000391085251 1043816091 /nfs/dbraw/zinc/81/60/91/1043816091.db2.gz QPYQENPISNETEL-FMKPAKJESA-N 2 1 326.431 3.681 20 0 EHADMP c1[nH+]c(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)n2c1CCCC2 ZINC000279510962 1044154011 /nfs/dbraw/zinc/15/40/11/1044154011.db2.gz XFPBXLWRJHQQAF-UHFFFAOYSA-N 2 1 349.478 3.875 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000344777199 1044409102 /nfs/dbraw/zinc/40/91/02/1044409102.db2.gz PTLPKXBRBXJITF-WOJBJXKFSA-N 2 1 339.483 3.623 20 0 EHADMP COc1cccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000172575040 1126799794 /nfs/dbraw/zinc/79/97/94/1126799794.db2.gz XJSUUIOGUIPUFY-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP CC(C)[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCCC1 ZINC000339068526 1126839144 /nfs/dbraw/zinc/83/91/44/1126839144.db2.gz QQANTQNZLGFCRD-NRSPTQNISA-N 2 1 330.516 3.864 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185267983 1126846743 /nfs/dbraw/zinc/84/67/43/1126846743.db2.gz APXQQVAYPAZQIC-CYBMUJFWSA-N 2 1 325.840 3.602 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185267983 1126846745 /nfs/dbraw/zinc/84/67/45/1126846745.db2.gz APXQQVAYPAZQIC-CYBMUJFWSA-N 2 1 325.840 3.602 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185267983 1126846748 /nfs/dbraw/zinc/84/67/48/1126846748.db2.gz APXQQVAYPAZQIC-CYBMUJFWSA-N 2 1 325.840 3.602 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000174213573 1126850108 /nfs/dbraw/zinc/85/01/08/1126850108.db2.gz VOILORQDAFZVAR-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000174213573 1126850111 /nfs/dbraw/zinc/85/01/11/1126850111.db2.gz VOILORQDAFZVAR-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185274762 1126852017 /nfs/dbraw/zinc/85/20/17/1126852017.db2.gz KKJKREMPTXASAM-CQSZACIVSA-N 2 1 339.867 3.992 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344494 1126923684 /nfs/dbraw/zinc/92/36/84/1126923684.db2.gz OXDDXWIKXRDAOO-UYAOXDASSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357808 1126928778 /nfs/dbraw/zinc/92/87/78/1126928778.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357808 1126928781 /nfs/dbraw/zinc/92/87/81/1126928781.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357808 1126928786 /nfs/dbraw/zinc/92/87/86/1126928786.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357808 1126928789 /nfs/dbraw/zinc/92/87/89/1126928789.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357808 1126928792 /nfs/dbraw/zinc/92/87/92/1126928792.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623357808 1126928796 /nfs/dbraw/zinc/92/87/96/1126928796.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623357808 1126928798 /nfs/dbraw/zinc/92/87/98/1126928798.db2.gz ATYREWNGGKKTKH-WIYYLYMNSA-N 3 1 343.559 3.881 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC1(C)C ZINC000623429541 1126954385 /nfs/dbraw/zinc/95/43/85/1126954385.db2.gz IEXLPQVWYIEMDA-HZPDHXFCSA-N 2 1 335.923 3.771 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC3 ZINC000623487429 1126965278 /nfs/dbraw/zinc/96/52/78/1126965278.db2.gz BCAVDBVWLACJEF-CVEARBPZSA-N 2 1 325.500 3.796 20 0 EHADMP COc1ccccc1[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC(C)C ZINC000623495324 1126967817 /nfs/dbraw/zinc/96/78/17/1126967817.db2.gz ZDWHERZRCDTGLI-VQIMIIECSA-N 2 1 334.504 3.624 20 0 EHADMP COc1ccccc1[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC(C)C ZINC000623495324 1126967820 /nfs/dbraw/zinc/96/78/20/1126967820.db2.gz ZDWHERZRCDTGLI-VQIMIIECSA-N 2 1 334.504 3.624 20 0 EHADMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc(C(F)(F)F)c1 ZINC000623544856 1126977715 /nfs/dbraw/zinc/97/77/15/1126977715.db2.gz NOFKOFQWPRFSQD-UHFFFAOYSA-N 2 1 330.394 3.678 20 0 EHADMP C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724826 1126994525 /nfs/dbraw/zinc/99/45/25/1126994525.db2.gz STQZZMKSLNHBFG-IEBWSBKVSA-N 2 1 341.499 3.570 20 0 EHADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036691 1127005254 /nfs/dbraw/zinc/00/52/54/1127005254.db2.gz VCSRBIKXISBFOI-KSZLIROESA-N 2 1 334.504 3.544 20 0 EHADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646470 1127002336 /nfs/dbraw/zinc/00/23/36/1127002336.db2.gz HKLDRCVYVMFVAD-VQTJNVASSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646470 1127002339 /nfs/dbraw/zinc/00/23/39/1127002339.db2.gz HKLDRCVYVMFVAD-VQTJNVASSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646469 1127002407 /nfs/dbraw/zinc/00/24/07/1127002407.db2.gz HKLDRCVYVMFVAD-UXHICEINSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623646469 1127002410 /nfs/dbraw/zinc/00/24/10/1127002410.db2.gz HKLDRCVYVMFVAD-UXHICEINSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000178029417 1127005110 /nfs/dbraw/zinc/00/51/10/1127005110.db2.gz MLWUSBYEQUTNKL-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000178029417 1127005114 /nfs/dbraw/zinc/00/51/14/1127005114.db2.gz MLWUSBYEQUTNKL-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP COc1ccccc1C[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178706991 1127025323 /nfs/dbraw/zinc/02/53/23/1127025323.db2.gz MMUAAZMXEUUWMV-APWZRJJASA-N 2 1 329.488 3.693 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(C(C)C)c2)CC1 ZINC000623862425 1127200587 /nfs/dbraw/zinc/20/05/87/1127200587.db2.gz TUAFBABVHDNYCU-IBGZPJMESA-N 2 1 331.548 3.878 20 0 EHADMP Cc1csc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n1 ZINC000623892794 1127211354 /nfs/dbraw/zinc/21/13/54/1127211354.db2.gz ZDFGAHSZSOLSIZ-CQSZACIVSA-N 2 1 348.516 3.619 20 0 EHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCCO1 ZINC000623906535 1127212526 /nfs/dbraw/zinc/21/25/26/1127212526.db2.gz ZAWXQLAQVXFHPW-SQAAOVBZSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2Br)CC[N@H+]1C ZINC000181523750 1127281578 /nfs/dbraw/zinc/28/15/78/1127281578.db2.gz FFRFSSLQDIMRFQ-ZIAGYGMSSA-N 2 1 339.321 3.799 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H]1CC[NH3+] ZINC000404419740 1127423759 /nfs/dbraw/zinc/42/37/59/1127423759.db2.gz HXMDZRVSGGNCFS-CZUORRHYSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H]1CC[NH3+] ZINC000404419740 1127423760 /nfs/dbraw/zinc/42/37/60/1127423760.db2.gz HXMDZRVSGGNCFS-CZUORRHYSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673760 1127429434 /nfs/dbraw/zinc/42/94/34/1127429434.db2.gz UYKGCXPGBRRMTR-IRXDYDNUSA-N 2 1 338.536 3.741 20 0 EHADMP CCOc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185701330 1127430144 /nfs/dbraw/zinc/43/01/44/1127430144.db2.gz SRFAGOIGECRNRS-ROUUACIJSA-N 2 1 346.515 3.707 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765356820 1127601169 /nfs/dbraw/zinc/60/11/69/1127601169.db2.gz UUXBFDONORYBFJ-HNNXBMFYSA-N 2 1 345.487 3.557 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000385698455 1127610183 /nfs/dbraw/zinc/61/01/83/1127610183.db2.gz IZNNNUKKYJSZJA-LBPRGKRZSA-N 2 1 331.323 3.818 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000385698455 1127610187 /nfs/dbraw/zinc/61/01/87/1127610187.db2.gz IZNNNUKKYJSZJA-LBPRGKRZSA-N 2 1 331.323 3.818 20 0 EHADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764421 1128252447 /nfs/dbraw/zinc/25/24/47/1128252447.db2.gz DMYVVSZRXAFOKG-VAMGGRTRSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764421 1128252449 /nfs/dbraw/zinc/25/24/49/1128252449.db2.gz DMYVVSZRXAFOKG-VAMGGRTRSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764421 1128252450 /nfs/dbraw/zinc/25/24/50/1128252450.db2.gz DMYVVSZRXAFOKG-VAMGGRTRSA-N 2 1 349.950 3.939 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@H](CCC[NH3+])C3)CCO2)cc1 ZINC001168628811 1128485928 /nfs/dbraw/zinc/48/59/28/1128485928.db2.gz GHSBPOPEALPCMQ-QFUCXCTJSA-N 2 1 346.515 3.756 20 0 EHADMP FC(F)Sc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843125208 1128511002 /nfs/dbraw/zinc/51/10/02/1128511002.db2.gz OCNLEZUKHFXDCZ-CABCVRRESA-N 2 1 326.456 3.823 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H](SC)C3)CCCC2)CC1 ZINC000921713467 1128657345 /nfs/dbraw/zinc/65/73/45/1128657345.db2.gz NBFPZUDXVCGVMW-AEFFLSMTSA-N 2 1 340.577 3.674 20 0 EHADMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C2CCCC2)n1 ZINC000921809921 1128782799 /nfs/dbraw/zinc/78/27/99/1128782799.db2.gz LDBWHSNPXOMALZ-UHFFFAOYSA-N 2 1 344.547 3.964 20 0 EHADMP CCC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC001648965610 1120283843 /nfs/dbraw/zinc/28/38/43/1120283843.db2.gz RARPNLPTTAXMSA-HXUWFJFHSA-N 2 1 330.516 3.695 20 0 EHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186150674 1120445980 /nfs/dbraw/zinc/44/59/80/1120445980.db2.gz PSFYJXYGWOQDEX-AEFFLSMTSA-N 2 1 344.524 3.972 20 0 EHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000186150674 1120445982 /nfs/dbraw/zinc/44/59/82/1120445982.db2.gz PSFYJXYGWOQDEX-AEFFLSMTSA-N 2 1 344.524 3.972 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCSCC1 ZINC000187155376 1120487843 /nfs/dbraw/zinc/48/78/43/1120487843.db2.gz JODQDOYIJITGAA-PKOBYXMFSA-N 2 1 332.557 3.672 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)cc2)[C@H](C)C1 ZINC000189996955 1120620328 /nfs/dbraw/zinc/62/03/28/1120620328.db2.gz XMODMEJAUDARKK-CTNGQTDRSA-N 2 1 332.532 3.654 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192056134 1120709304 /nfs/dbraw/zinc/70/93/04/1120709304.db2.gz ARHPTWOBGCBABO-ZWKOTPCHSA-N 2 1 333.863 3.745 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1ccnn1-c1ccccc1)C[NH+]1CCCCC1 ZINC000467390338 1120750701 /nfs/dbraw/zinc/75/07/01/1120750701.db2.gz OEKHBYJVQGCQTQ-MSOLQXFVSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000195139302 1120767157 /nfs/dbraw/zinc/76/71/57/1120767157.db2.gz ZKPOAUKRRGAXCK-QUCCMNQESA-N 2 1 337.511 3.925 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2OC(F)F)[C@H](C)C1 ZINC000660081788 1120896220 /nfs/dbraw/zinc/89/62/20/1120896220.db2.gz IPWQUEPUCQPDAW-DOMZBBRYSA-N 2 1 330.394 3.589 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000495432610 1121195953 /nfs/dbraw/zinc/19/59/53/1121195953.db2.gz JRFNNPUVECAKRJ-RDPOXOKHSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495432599 1121196245 /nfs/dbraw/zinc/19/62/45/1121196245.db2.gz JPKRRWPVPSYQRS-ILWGZMRPSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976827 1128989373 /nfs/dbraw/zinc/98/93/73/1128989373.db2.gz KAMVBYJPUNMEIX-FXAWDEMLSA-N 2 1 338.499 3.608 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccs1)C1CCCCC1 ZINC000237080021 1121472632 /nfs/dbraw/zinc/47/26/32/1121472632.db2.gz LMJDUBVHOWQMOQ-UHFFFAOYSA-N 2 1 332.517 3.882 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccs1)C1CCCCC1 ZINC000237080021 1121472639 /nfs/dbraw/zinc/47/26/39/1121472639.db2.gz LMJDUBVHOWQMOQ-UHFFFAOYSA-N 2 1 332.517 3.882 20 0 EHADMP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000237637818 1121489778 /nfs/dbraw/zinc/48/97/78/1121489778.db2.gz ZATJDQPLFIOIRX-MOPGFXCFSA-N 2 1 338.495 3.801 20 0 EHADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000237637818 1121489781 /nfs/dbraw/zinc/48/97/81/1121489781.db2.gz ZATJDQPLFIOIRX-MOPGFXCFSA-N 2 1 338.495 3.801 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873123 1121551754 /nfs/dbraw/zinc/55/17/54/1121551754.db2.gz FZSNVBCMLUOLPW-YJBOKZPZSA-N 2 1 347.503 3.772 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000393909430 1121670430 /nfs/dbraw/zinc/67/04/30/1121670430.db2.gz AOIJEKZMUSQAQU-HAGHYFMRSA-N 2 1 330.541 3.630 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000397314512 1121706349 /nfs/dbraw/zinc/70/63/49/1121706349.db2.gz KRXMUXSYVYLCLQ-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000397314512 1121706354 /nfs/dbraw/zinc/70/63/54/1121706354.db2.gz KRXMUXSYVYLCLQ-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398037480 1121963365 /nfs/dbraw/zinc/96/33/65/1121963365.db2.gz QLSKGTWEDIXGRX-XMSQKQJNSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398037480 1121963373 /nfs/dbraw/zinc/96/33/73/1121963373.db2.gz QLSKGTWEDIXGRX-XMSQKQJNSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000127146076 1122465865 /nfs/dbraw/zinc/46/58/65/1122465865.db2.gz GTRZOMLIVYTGGY-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000556054396 1122796214 /nfs/dbraw/zinc/79/62/14/1122796214.db2.gz HHQURYPXDZBPCF-KNQAVFIVSA-N 2 1 348.494 3.852 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000556054396 1122796216 /nfs/dbraw/zinc/79/62/16/1122796216.db2.gz HHQURYPXDZBPCF-KNQAVFIVSA-N 2 1 348.494 3.852 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000556105014 1122815716 /nfs/dbraw/zinc/81/57/16/1122815716.db2.gz PQOCJVOTJKCYKN-IEBWSBKVSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000556105014 1122815722 /nfs/dbraw/zinc/81/57/22/1122815722.db2.gz PQOCJVOTJKCYKN-IEBWSBKVSA-N 2 1 346.421 3.769 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498882992 1123097619 /nfs/dbraw/zinc/09/76/19/1123097619.db2.gz ZSOMJOLMOLTZOT-LJQANCHMSA-N 2 1 346.515 3.518 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498882992 1123097625 /nfs/dbraw/zinc/09/76/25/1123097625.db2.gz ZSOMJOLMOLTZOT-LJQANCHMSA-N 2 1 346.515 3.518 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000556763454 1123112986 /nfs/dbraw/zinc/11/29/86/1123112986.db2.gz DNICUJQXWCDAJK-UHFFFAOYSA-N 2 1 327.472 3.894 20 0 EHADMP COCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556858885 1123155516 /nfs/dbraw/zinc/15/55/16/1123155516.db2.gz OWOYYAINHHHATQ-PWRODBHTSA-N 2 1 330.516 3.693 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000556868151 1123158943 /nfs/dbraw/zinc/15/89/43/1123158943.db2.gz HWVOZESTEHZTPL-KRKAENIYSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000556868151 1123158946 /nfs/dbraw/zinc/15/89/46/1123158946.db2.gz HWVOZESTEHZTPL-KRKAENIYSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000556868151 1123158947 /nfs/dbraw/zinc/15/89/47/1123158947.db2.gz HWVOZESTEHZTPL-KRKAENIYSA-N 2 1 328.500 3.652 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@@H]2CCC[C@H]21 ZINC000556870641 1123159978 /nfs/dbraw/zinc/15/99/78/1123159978.db2.gz HEZIZOGWXDHSQP-MELADBBJSA-N 2 1 343.334 3.516 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250620 1123298316 /nfs/dbraw/zinc/29/83/16/1123298316.db2.gz CLNBWNTVUGENGU-UWJYYQICSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250620 1123298323 /nfs/dbraw/zinc/29/83/23/1123298323.db2.gz CLNBWNTVUGENGU-UWJYYQICSA-N 2 1 326.459 3.868 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000134150077 1123494871 /nfs/dbraw/zinc/49/48/71/1123494871.db2.gz PRZGWDZYZMMKRT-UHFFFAOYSA-N 2 1 344.503 3.922 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000137074958 1123748768 /nfs/dbraw/zinc/74/87/68/1123748768.db2.gz HNQRMTWWWSMPTQ-QWHCGFSZSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000137074958 1123748770 /nfs/dbraw/zinc/74/87/70/1123748770.db2.gz HNQRMTWWWSMPTQ-QWHCGFSZSA-N 2 1 343.696 3.819 20 0 EHADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C12CCC2 ZINC000453056994 1129144855 /nfs/dbraw/zinc/14/48/55/1129144855.db2.gz DASNQUTYYWWDDD-UXHICEINSA-N 2 1 328.500 3.507 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245638514 1123906143 /nfs/dbraw/zinc/90/61/43/1123906143.db2.gz WOEQRAVMKIXRQI-NJYVYQBISA-N 2 1 342.527 3.964 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953449 1123989363 /nfs/dbraw/zinc/98/93/63/1123989363.db2.gz PYZZUBHUZCNANB-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953449 1123989370 /nfs/dbraw/zinc/98/93/70/1123989370.db2.gz PYZZUBHUZCNANB-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953449 1123989376 /nfs/dbraw/zinc/98/93/76/1123989376.db2.gz PYZZUBHUZCNANB-DOTOQJQBSA-N 2 1 342.405 3.544 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246139407 1124030718 /nfs/dbraw/zinc/03/07/18/1124030718.db2.gz RYYCJMUIOAWETH-DYVFJYSZSA-N 2 1 337.305 3.832 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000564379270 1124088212 /nfs/dbraw/zinc/08/82/12/1124088212.db2.gz MOUSNZTURARCGT-UHFFFAOYSA-N 2 1 334.507 3.940 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000421845826 1129178840 /nfs/dbraw/zinc/17/88/40/1129178840.db2.gz YAUJMIROPINPQD-WDSOQIARSA-N 2 1 327.516 3.572 20 0 EHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246956150 1124572305 /nfs/dbraw/zinc/57/23/05/1124572305.db2.gz IJBPJAFPRGOQOS-QLFBSQMISA-N 2 1 329.513 3.862 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588492 /nfs/dbraw/zinc/58/84/92/1124588492.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588501 /nfs/dbraw/zinc/58/85/01/1124588501.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588511 /nfs/dbraw/zinc/58/85/11/1124588511.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588521 /nfs/dbraw/zinc/58/85/21/1124588521.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588531 /nfs/dbraw/zinc/58/85/31/1124588531.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588539 /nfs/dbraw/zinc/58/85/39/1124588539.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588548 /nfs/dbraw/zinc/58/85/48/1124588548.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588559 /nfs/dbraw/zinc/58/85/59/1124588559.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000247114133 1124588571 /nfs/dbraw/zinc/58/85/71/1124588571.db2.gz QTJQJKBRQMRHQH-VQQMMKBISA-N 2 1 343.559 3.879 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2sccc2Cl)[C@@H](C)C1 ZINC000248822253 1124703826 /nfs/dbraw/zinc/70/38/26/1124703826.db2.gz XZOQTQIHPFLEDQ-ZFWWWQNUSA-N 2 1 330.925 3.628 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889338 1124713743 /nfs/dbraw/zinc/71/37/43/1124713743.db2.gz RUBIBNJQSCAWBI-SJLPKXTDSA-N 2 1 336.495 3.677 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889338 1124713752 /nfs/dbraw/zinc/71/37/52/1124713752.db2.gz RUBIBNJQSCAWBI-SJLPKXTDSA-N 2 1 336.495 3.677 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCSc3ccc(OC)cc32)C1 ZINC000249184312 1124745109 /nfs/dbraw/zinc/74/51/09/1124745109.db2.gz JVVYHNSPDZIONZ-QAPCUYQASA-N 2 1 334.529 3.944 20 0 EHADMP C[C@@H](CCc1ccccc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594466 1124824844 /nfs/dbraw/zinc/82/48/44/1124824844.db2.gz VEKVJTUFPRDHSN-SFHVURJKSA-N 2 1 348.506 3.772 20 0 EHADMP CSCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000089934640 1124875821 /nfs/dbraw/zinc/87/58/21/1124875821.db2.gz IOYXCDBLVCPSTO-UHFFFAOYSA-N 2 1 346.462 3.965 20 0 EHADMP CSCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000089934640 1124875827 /nfs/dbraw/zinc/87/58/27/1124875827.db2.gz IOYXCDBLVCPSTO-UHFFFAOYSA-N 2 1 346.462 3.965 20 0 EHADMP CCC[N@H+](Cc1ccc(Br)cc1CC)C[C@H]1CC[NH2+]C1 ZINC001236843395 1125043818 /nfs/dbraw/zinc/04/38/18/1125043818.db2.gz NYZIYHWFWRONFM-AWEZNQCLSA-N 2 1 339.321 3.833 20 0 EHADMP CC1(C)C[NH+](CCCCCC[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000735311662 1131334515 /nfs/dbraw/zinc/33/45/15/1131334515.db2.gz NZXRQTWHBUWZSD-UHFFFAOYSA-N 2 1 340.552 3.549 20 0 EHADMP COCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336832 1125227831 /nfs/dbraw/zinc/22/78/31/1125227831.db2.gz CDCQZFFCRPUTQF-QFIPXVFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000093336832 1125227837 /nfs/dbraw/zinc/22/78/37/1125227837.db2.gz CDCQZFFCRPUTQF-QFIPXVFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000093336832 1125227840 /nfs/dbraw/zinc/22/78/40/1125227840.db2.gz CDCQZFFCRPUTQF-QFIPXVFZSA-N 2 1 338.495 3.787 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707965 1129273097 /nfs/dbraw/zinc/27/30/97/1129273097.db2.gz MIMJZNLVXRFSGZ-KRWDZBQOSA-N 2 1 344.861 3.896 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000765979156 1129404484 /nfs/dbraw/zinc/40/44/84/1129404484.db2.gz WMIUKXJVGXBWMC-VXKWHMMOSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000657561931 1129431804 /nfs/dbraw/zinc/43/18/04/1129431804.db2.gz DQRMRRMEAVZABP-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561931 1129431806 /nfs/dbraw/zinc/43/18/06/1129431806.db2.gz DQRMRRMEAVZABP-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000657561931 1129431809 /nfs/dbraw/zinc/43/18/09/1129431809.db2.gz DQRMRRMEAVZABP-YZGWKJHDSA-N 2 1 329.532 3.502 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000922284553 1129434371 /nfs/dbraw/zinc/43/43/71/1129434371.db2.gz QZEJGNCADHXCON-GOSISDBHSA-N 2 1 325.456 3.695 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668065 1129458749 /nfs/dbraw/zinc/45/87/49/1129458749.db2.gz CQCOVEADGWCDHQ-RLLQIKCJSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)O1 ZINC000657668065 1129458752 /nfs/dbraw/zinc/45/87/52/1129458752.db2.gz CQCOVEADGWCDHQ-RLLQIKCJSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817671 1129680451 /nfs/dbraw/zinc/68/04/51/1129680451.db2.gz VQGFOHFIBPWOLP-UXHICEINSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817671 1129680452 /nfs/dbraw/zinc/68/04/52/1129680452.db2.gz VQGFOHFIBPWOLP-UXHICEINSA-N 2 1 328.500 3.732 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000390912371 1129798455 /nfs/dbraw/zinc/79/84/55/1129798455.db2.gz XYIWBRWOKWUGBM-SFTDATJTSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000390912371 1129798458 /nfs/dbraw/zinc/79/84/58/1129798458.db2.gz XYIWBRWOKWUGBM-SFTDATJTSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000785476400 1130301382 /nfs/dbraw/zinc/30/13/82/1130301382.db2.gz COYFKGXKGSLRMV-YJBOKZPZSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000785476400 1130301387 /nfs/dbraw/zinc/30/13/87/1130301387.db2.gz COYFKGXKGSLRMV-YJBOKZPZSA-N 2 1 333.476 3.763 20 0 EHADMP OCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766129877 1130370457 /nfs/dbraw/zinc/37/04/57/1130370457.db2.gz XRHCURBZRNTYRD-VXKWHMMOSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766129877 1130370461 /nfs/dbraw/zinc/37/04/61/1130370461.db2.gz XRHCURBZRNTYRD-VXKWHMMOSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766129877 1130370467 /nfs/dbraw/zinc/37/04/67/1130370467.db2.gz XRHCURBZRNTYRD-VXKWHMMOSA-N 2 1 344.543 3.916 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752173 1130465585 /nfs/dbraw/zinc/46/55/85/1130465585.db2.gz IBYSZNBDARMTSP-XYPHTWIQSA-N 2 1 337.305 3.597 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745800 1130468612 /nfs/dbraw/zinc/46/86/12/1130468612.db2.gz GOVIUBNWKNFBQY-ABSDTBQOSA-N 2 1 339.483 3.794 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745800 1130468617 /nfs/dbraw/zinc/46/86/17/1130468617.db2.gz GOVIUBNWKNFBQY-ABSDTBQOSA-N 2 1 339.483 3.794 20 0 EHADMP c1ccc([C@@H](CC2CC2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675881129 1130500521 /nfs/dbraw/zinc/50/05/21/1130500521.db2.gz JRTBBBFEGRUTDH-LEWJYISDSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@@H](c2ccco2)C1)[NH+]1CC[C@H](c2ccco2)C1 ZINC000676252977 1130554445 /nfs/dbraw/zinc/55/44/45/1130554445.db2.gz VQBMHDCPMJFGOM-KURKYZTESA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccco2)C1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000676252977 1130554449 /nfs/dbraw/zinc/55/44/49/1130554449.db2.gz VQBMHDCPMJFGOM-KURKYZTESA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccco2)C1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000676252977 1130554454 /nfs/dbraw/zinc/55/44/54/1130554454.db2.gz VQBMHDCPMJFGOM-KURKYZTESA-N 2 1 328.456 3.930 20 0 EHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172454266 1131747799 /nfs/dbraw/zinc/74/77/99/1131747799.db2.gz JMDAFBOXNQYHHJ-JBACZVJFSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172454266 1131747806 /nfs/dbraw/zinc/74/78/06/1131747806.db2.gz JMDAFBOXNQYHHJ-JBACZVJFSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172454266 1131747810 /nfs/dbraw/zinc/74/78/10/1131747810.db2.gz JMDAFBOXNQYHHJ-JBACZVJFSA-N 2 1 330.516 3.644 20 0 EHADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@]3(C[NH3+])CN4CCC3CC4)CC2)CC1 ZINC001172585654 1131792659 /nfs/dbraw/zinc/79/26/59/1131792659.db2.gz FJAQTVBEFSDETN-BAUFMUILSA-N 2 1 347.591 3.774 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929197 1131909424 /nfs/dbraw/zinc/90/94/24/1131909424.db2.gz NKLGACVMVQCKAD-LWYYNNOASA-N 2 1 334.479 3.855 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172935061 1131910572 /nfs/dbraw/zinc/91/05/72/1131910572.db2.gz HEIAZLQKCGYCOG-QZTJIDSGSA-N 2 1 348.556 3.994 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173086793 1131964030 /nfs/dbraw/zinc/96/40/30/1131964030.db2.gz VMFOMPZWOUDMQD-CQSZACIVSA-N 2 1 332.410 3.790 20 0 EHADMP CCC1CCC([NH2+]C2CCC([NH+](CC)CC)CC2)(C(=O)OC)CC1 ZINC001173107947 1131969220 /nfs/dbraw/zinc/96/92/20/1131969220.db2.gz UJQVZZGISFVGQC-UHFFFAOYSA-N 2 1 338.536 3.741 20 0 EHADMP CCCOC1CCC([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001173098723 1131979187 /nfs/dbraw/zinc/97/91/87/1131979187.db2.gz VCILLAZPUNHKSW-UHFFFAOYSA-N 2 1 331.504 3.667 20 0 EHADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCc2ncsc2C1 ZINC001173145314 1131983715 /nfs/dbraw/zinc/98/37/15/1131983715.db2.gz KJHKHENJUTUFNH-QGZVFWFLSA-N 2 1 333.545 3.729 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000743847702 1131983995 /nfs/dbraw/zinc/98/39/95/1131983995.db2.gz GLQVOYYDOXFCKI-RZUBCFFCSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000743847702 1131984005 /nfs/dbraw/zinc/98/40/05/1131984005.db2.gz GLQVOYYDOXFCKI-RZUBCFFCSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000743847702 1131984015 /nfs/dbraw/zinc/98/40/15/1131984015.db2.gz GLQVOYYDOXFCKI-RZUBCFFCSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000743847702 1131984022 /nfs/dbraw/zinc/98/40/22/1131984022.db2.gz GLQVOYYDOXFCKI-RZUBCFFCSA-N 2 1 344.543 3.923 20 0 EHADMP CCCC[C@@H](CC(C)C)[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001173256781 1132020700 /nfs/dbraw/zinc/02/07/00/1132020700.db2.gz ULMKNMAARAEBMU-SFHVURJKSA-N 2 1 349.567 3.929 20 0 EHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001173256781 1132020708 /nfs/dbraw/zinc/02/07/08/1132020708.db2.gz ULMKNMAARAEBMU-SFHVURJKSA-N 2 1 349.567 3.929 20 0 EHADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173630830 1132109849 /nfs/dbraw/zinc/10/98/49/1132109849.db2.gz RYRRWRYIIQYOIR-ZWKOTPCHSA-N 2 1 326.525 3.600 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001173783187 1132147454 /nfs/dbraw/zinc/14/74/54/1132147454.db2.gz SYTIRJMFHVGFEC-ZJRDLVKKSA-N 2 1 344.499 3.570 20 0 EHADMP C[N@H+]1CCc2ncc(Nc3ccc(C[NH+]4CCCCC4)cc3)cc2C1 ZINC001175361451 1132648811 /nfs/dbraw/zinc/64/88/11/1132648811.db2.gz MRWLJHJYXVOVEF-UHFFFAOYSA-N 2 1 336.483 3.799 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C2 ZINC001169101966 1132655515 /nfs/dbraw/zinc/65/55/15/1132655515.db2.gz WUMAYTDNQXHLLA-BJWYYQGGSA-N 2 1 326.406 3.853 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001169116499 1132662446 /nfs/dbraw/zinc/66/24/46/1132662446.db2.gz QSINRGYOUNOZSE-LDLYASANSA-N 2 1 348.918 3.603 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124122 1132664972 /nfs/dbraw/zinc/66/49/72/1132664972.db2.gz MLVIPKUVNJKCGM-BJLQDIEVSA-N 2 1 334.548 3.968 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(Br)ccc3C1)C2 ZINC001169107490 1132670024 /nfs/dbraw/zinc/67/00/24/1132670024.db2.gz HZWYCRABNSUZJW-FJIDUMEYSA-N 2 1 349.316 3.521 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147769 1132676811 /nfs/dbraw/zinc/67/68/11/1132676811.db2.gz WQEFKIHWWILLOV-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147769 1132676817 /nfs/dbraw/zinc/67/68/17/1132676817.db2.gz WQEFKIHWWILLOV-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147769 1132676820 /nfs/dbraw/zinc/67/68/20/1132676820.db2.gz WQEFKIHWWILLOV-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](C)Cc1c(F)cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1F ZINC001169148755 1132677826 /nfs/dbraw/zinc/67/78/26/1132677826.db2.gz ZVVYHLXUKKLWGU-LIRRHRJNSA-N 2 1 339.474 3.982 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169160672 1132683349 /nfs/dbraw/zinc/68/33/49/1132683349.db2.gz KFWWOJYOXMZEAS-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160672 1132683352 /nfs/dbraw/zinc/68/33/52/1132683352.db2.gz KFWWOJYOXMZEAS-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160672 1132683358 /nfs/dbraw/zinc/68/33/58/1132683358.db2.gz KFWWOJYOXMZEAS-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP C[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206005557 1132709143 /nfs/dbraw/zinc/70/91/43/1132709143.db2.gz YQGRJOAQSCYZSY-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206005557 1132709148 /nfs/dbraw/zinc/70/91/48/1132709148.db2.gz YQGRJOAQSCYZSY-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001176985101 1133018197 /nfs/dbraw/zinc/01/81/97/1133018197.db2.gz OEDXVXWTZZLEGV-CEXWTWQISA-N 2 1 346.563 3.795 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001176985101 1133018202 /nfs/dbraw/zinc/01/82/02/1133018202.db2.gz OEDXVXWTZZLEGV-CEXWTWQISA-N 2 1 346.563 3.795 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC001177081517 1133024177 /nfs/dbraw/zinc/02/41/77/1133024177.db2.gz LBEJZCRHFHKSTC-UHFFFAOYSA-N 2 1 340.467 3.663 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC001177081517 1133024183 /nfs/dbraw/zinc/02/41/83/1133024183.db2.gz LBEJZCRHFHKSTC-UHFFFAOYSA-N 2 1 340.467 3.663 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC001177081517 1133024192 /nfs/dbraw/zinc/02/41/92/1133024192.db2.gz LBEJZCRHFHKSTC-UHFFFAOYSA-N 2 1 340.467 3.663 20 0 EHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)c2cccs2)CC1 ZINC001177103906 1133031354 /nfs/dbraw/zinc/03/13/54/1133031354.db2.gz DRROBPHIOJVCCM-QZTJIDSGSA-N 2 1 349.588 3.985 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873295 1133065600 /nfs/dbraw/zinc/06/56/00/1133065600.db2.gz BQXUDEVHPHLUAL-WBVHZDCISA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873295 1133065604 /nfs/dbraw/zinc/06/56/04/1133065604.db2.gz BQXUDEVHPHLUAL-WBVHZDCISA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873295 1133065607 /nfs/dbraw/zinc/06/56/07/1133065607.db2.gz BQXUDEVHPHLUAL-WBVHZDCISA-N 2 1 326.406 3.979 20 0 EHADMP CC[N@@H+](C/C=C/Cl)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000767898055 1133068871 /nfs/dbraw/zinc/06/88/71/1133068871.db2.gz CFQGVHMGYXRXEX-RMKNXTFCSA-N 2 1 336.911 3.952 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Br)c3)[C@@H]2C1 ZINC001179818609 1133286714 /nfs/dbraw/zinc/28/67/14/1133286714.db2.gz ZCURULPCVWSBKQ-NILFDRSVSA-N 2 1 343.696 3.532 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001180082438 1133327430 /nfs/dbraw/zinc/32/74/30/1133327430.db2.gz QAZHNMOIUUBGSD-HNNXBMFYSA-N 2 1 348.512 3.540 20 0 EHADMP CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001180310302 1133354685 /nfs/dbraw/zinc/35/46/85/1133354685.db2.gz CPQJNVUWCVCWJN-NQIIRXRSSA-N 2 1 332.532 3.948 20 0 EHADMP C[C@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC001180582060 1133394229 /nfs/dbraw/zinc/39/42/29/1133394229.db2.gz BJFKXHZBXKQEBN-QGZVFWFLSA-N 2 1 343.515 3.874 20 0 EHADMP CC(C)O[C@@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001181515022 1133497794 /nfs/dbraw/zinc/49/77/94/1133497794.db2.gz PJVQNGPVNIUNRV-RTWAWAEBSA-N 2 1 330.516 3.816 20 0 EHADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001182072321 1133572150 /nfs/dbraw/zinc/57/21/50/1133572150.db2.gz NBEKGOJFGLVIGY-UHFFFAOYSA-N 2 1 340.467 3.776 20 0 EHADMP CCCC[N@@H+](CC)[C@H](C(=O)NCCCCC[NH+](C)C)c1ccccc1 ZINC001182234457 1133595468 /nfs/dbraw/zinc/59/54/68/1133595468.db2.gz JXNNKSTZBSUAIO-FQEVSTJZSA-N 2 1 347.547 3.698 20 0 EHADMP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000774135151 1133621698 /nfs/dbraw/zinc/62/16/98/1133621698.db2.gz SPPOHGMAZKAEMB-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000774135150 1133621836 /nfs/dbraw/zinc/62/18/36/1133621836.db2.gz SPPOHGMAZKAEMB-JKLQHZFJSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CCC3(CCCCC3)CC1)CCO2 ZINC001182542496 1133698602 /nfs/dbraw/zinc/69/86/02/1133698602.db2.gz DMSKQEUTDXVNQM-UHFFFAOYSA-N 2 1 334.548 3.924 20 0 EHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001183136180 1133773732 /nfs/dbraw/zinc/77/37/32/1133773732.db2.gz IBXBGBIUZKCABB-HXUWFJFHSA-N 2 1 343.515 3.534 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137103 1133774255 /nfs/dbraw/zinc/77/42/55/1133774255.db2.gz OJKYAZUPTYQTLL-FSSWDIPSSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137103 1133774257 /nfs/dbraw/zinc/77/42/57/1133774257.db2.gz OJKYAZUPTYQTLL-FSSWDIPSSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001183137103 1133774262 /nfs/dbraw/zinc/77/42/62/1133774262.db2.gz OJKYAZUPTYQTLL-FSSWDIPSSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183137103 1133774267 /nfs/dbraw/zinc/77/42/67/1133774267.db2.gz OJKYAZUPTYQTLL-FSSWDIPSSA-N 2 1 344.543 3.772 20 0 EHADMP COC(OC)[C@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183363998 1133794694 /nfs/dbraw/zinc/79/46/94/1133794694.db2.gz REMOATBKDQOXSJ-LAUBAEHRSA-N 2 1 348.531 3.522 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205319048 1134012141 /nfs/dbraw/zinc/01/21/41/1134012141.db2.gz XZOJBHMVDBQZMJ-HIFRSBDPSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205319048 1134012147 /nfs/dbraw/zinc/01/21/47/1134012147.db2.gz XZOJBHMVDBQZMJ-HIFRSBDPSA-N 2 1 339.321 3.989 20 0 EHADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)CC1 ZINC000788487517 1134131161 /nfs/dbraw/zinc/13/11/61/1134131161.db2.gz IKEVUBCKVXLGMG-LJQANCHMSA-N 2 1 344.524 3.626 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc[nH]c(=O)c1 ZINC000788527697 1134143866 /nfs/dbraw/zinc/14/38/66/1134143866.db2.gz NZLGGQRWQUZEIX-SJORKVTESA-N 2 1 339.483 3.870 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000788603585 1134150541 /nfs/dbraw/zinc/15/05/41/1134150541.db2.gz FDPXLTBTFWZMKO-JKSUJKDBSA-N 2 1 325.456 3.663 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774980559 1134175677 /nfs/dbraw/zinc/17/56/77/1134175677.db2.gz ZTJYPMDEPWCTHZ-CQSZACIVSA-N 2 1 325.294 3.579 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821778 1134176936 /nfs/dbraw/zinc/17/69/36/1134176936.db2.gz ZKLSYCSFFGEKQE-QFBILLFUSA-N 2 1 339.483 3.739 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821778 1134176941 /nfs/dbraw/zinc/17/69/41/1134176941.db2.gz ZKLSYCSFFGEKQE-QFBILLFUSA-N 2 1 339.483 3.739 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821779 1134177599 /nfs/dbraw/zinc/17/75/99/1134177599.db2.gz ZKLSYCSFFGEKQE-VQIMIIECSA-N 2 1 339.483 3.739 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cc[nH]c(=O)c1 ZINC000788821779 1134177601 /nfs/dbraw/zinc/17/76/01/1134177601.db2.gz ZKLSYCSFFGEKQE-VQIMIIECSA-N 2 1 339.483 3.739 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000788815432 1134183665 /nfs/dbraw/zinc/18/36/65/1134183665.db2.gz OEKBXSYVPRAXOS-UTKZUKDTSA-N 2 1 339.483 3.653 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775375076 1134687769 /nfs/dbraw/zinc/68/77/69/1134687769.db2.gz IODQMUCZKSKCFS-ILOCAZANSA-N 2 1 342.618 3.714 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)cn1 ZINC000775377270 1134691742 /nfs/dbraw/zinc/69/17/42/1134691742.db2.gz WNURMVDBVHNCFZ-VFNWGFHPSA-N 2 1 332.451 3.989 20 0 EHADMP CCc1cc(C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)on1 ZINC000775392777 1134710932 /nfs/dbraw/zinc/71/09/32/1134710932.db2.gz KJGNTQWEUQABDS-HNNXBMFYSA-N 2 1 345.487 3.938 20 0 EHADMP CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912397 1134769299 /nfs/dbraw/zinc/76/92/99/1134769299.db2.gz CGHMPOZIYZCOAJ-MSOLQXFVSA-N 2 1 330.516 3.918 20 0 EHADMP CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912397 1134769305 /nfs/dbraw/zinc/76/93/05/1134769305.db2.gz CGHMPOZIYZCOAJ-MSOLQXFVSA-N 2 1 330.516 3.918 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001170407962 1134771187 /nfs/dbraw/zinc/77/11/87/1134771187.db2.gz PVXAVPNLIIIRKU-AEFFLSMTSA-N 2 1 332.488 3.591 20 0 EHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Cl)cccc2Br)CC1 ZINC001205558061 1134807991 /nfs/dbraw/zinc/80/79/91/1134807991.db2.gz BHJIPKJXMGHRNK-AWEZNQCLSA-N 2 1 349.675 3.755 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170423928 1134836611 /nfs/dbraw/zinc/83/66/11/1134836611.db2.gz IMMFWDAHEVNHRZ-ZWKOTPCHSA-N 2 1 344.499 3.733 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170423928 1134836616 /nfs/dbraw/zinc/83/66/16/1134836616.db2.gz IMMFWDAHEVNHRZ-ZWKOTPCHSA-N 2 1 344.499 3.733 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775512774 1134983449 /nfs/dbraw/zinc/98/34/49/1134983449.db2.gz MWJJASYGMSKRJB-JXFKEZNVSA-N 2 1 341.499 3.724 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205627072 1135121036 /nfs/dbraw/zinc/12/10/36/1135121036.db2.gz MJGXKPCPWJKFED-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205627072 1135121040 /nfs/dbraw/zinc/12/10/40/1135121040.db2.gz MJGXKPCPWJKFED-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205629238 1135133608 /nfs/dbraw/zinc/13/36/08/1135133608.db2.gz YRZUKOPHOMMDPB-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2c(F)ccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205629238 1135133612 /nfs/dbraw/zinc/13/36/12/1135133612.db2.gz YRZUKOPHOMMDPB-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205638429 1135158967 /nfs/dbraw/zinc/15/89/67/1135158967.db2.gz NVVLSVHVSFPXFW-DGCLKSJQSA-N 2 1 343.284 3.703 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000716732687 1135180218 /nfs/dbraw/zinc/18/02/18/1135180218.db2.gz QIGBKCMCOPLEAZ-QESAQDPVSA-N 2 1 342.527 3.834 20 0 EHADMP CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001193962709 1135206795 /nfs/dbraw/zinc/20/67/95/1135206795.db2.gz IILZJQFWWMXKDN-OAQYLSRUSA-N 2 1 330.516 3.800 20 0 EHADMP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000808170109 1135629779 /nfs/dbraw/zinc/62/97/79/1135629779.db2.gz BPEVZYNZJNJFBI-WIYYLYMNSA-N 2 1 349.563 3.569 20 0 EHADMP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000808170109 1135629781 /nfs/dbraw/zinc/62/97/81/1135629781.db2.gz BPEVZYNZJNJFBI-WIYYLYMNSA-N 2 1 349.563 3.569 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000808722890 1135722439 /nfs/dbraw/zinc/72/24/39/1135722439.db2.gz GXNKGOXPNVSTJZ-YUMYIRISSA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000808722890 1135722444 /nfs/dbraw/zinc/72/24/44/1135722444.db2.gz GXNKGOXPNVSTJZ-YUMYIRISSA-N 2 1 336.479 3.678 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC000809738615 1135882885 /nfs/dbraw/zinc/88/28/85/1135882885.db2.gz BSCOGTAXKNYBGX-GOSISDBHSA-N 2 1 345.512 3.688 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC000809738615 1135882888 /nfs/dbraw/zinc/88/28/88/1135882888.db2.gz BSCOGTAXKNYBGX-GOSISDBHSA-N 2 1 345.512 3.688 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CCC4)CC3)cc2)CC1 ZINC001199276320 1135895929 /nfs/dbraw/zinc/89/59/29/1135895929.db2.gz PZCPPPBPAWXENM-UHFFFAOYSA-N 2 1 341.543 3.637 20 0 EHADMP CC(C)C(C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC001199666904 1135918474 /nfs/dbraw/zinc/91/84/74/1135918474.db2.gz GSUKCDCXDGKWCJ-SFHVURJKSA-N 2 1 332.532 3.925 20 0 EHADMP CC(C)C(C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC001199666904 1135918478 /nfs/dbraw/zinc/91/84/78/1135918478.db2.gz GSUKCDCXDGKWCJ-SFHVURJKSA-N 2 1 332.532 3.925 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001199721384 1135922843 /nfs/dbraw/zinc/92/28/43/1135922843.db2.gz IBQFASGARRYMOJ-SFHLNBCPSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721384 1135922844 /nfs/dbraw/zinc/92/28/44/1135922844.db2.gz IBQFASGARRYMOJ-SFHLNBCPSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001199721384 1135922845 /nfs/dbraw/zinc/92/28/45/1135922845.db2.gz IBQFASGARRYMOJ-SFHLNBCPSA-N 2 1 343.559 3.750 20 0 EHADMP c1nn(CC2CCC2)cc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001199926577 1135938904 /nfs/dbraw/zinc/93/89/04/1135938904.db2.gz WIRYIKSYHYJSQN-UHFFFAOYSA-N 2 1 344.547 3.818 20 0 EHADMP CCCC[C@H](CC)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001201565929 1136041086 /nfs/dbraw/zinc/04/10/86/1136041086.db2.gz MHBGFIDGSWUHPP-IBGZPJMESA-N 2 1 346.563 3.944 20 0 EHADMP CSCCC[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001201680834 1136050839 /nfs/dbraw/zinc/05/08/39/1136050839.db2.gz OFIJVSPOOPSWMN-UHFFFAOYSA-N 2 1 333.545 3.511 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000850175392 1136217306 /nfs/dbraw/zinc/21/73/06/1136217306.db2.gz XFAZCZDZMDARRC-ROUUACIJSA-N 2 1 343.446 3.975 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000812824669 1136250238 /nfs/dbraw/zinc/25/02/38/1136250238.db2.gz CBTRNCDWODXXJC-KRWDZBQOSA-N 2 1 344.421 3.543 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000812824669 1136250242 /nfs/dbraw/zinc/25/02/42/1136250242.db2.gz CBTRNCDWODXXJC-KRWDZBQOSA-N 2 1 344.421 3.543 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000813880671 1136371923 /nfs/dbraw/zinc/37/19/23/1136371923.db2.gz IDVPCMLTHVRHFG-IRFPFTSISA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000813881856 1136372080 /nfs/dbraw/zinc/37/20/80/1136372080.db2.gz WLARBZXTQVEBBY-FDKRGKGCSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881856 1136372084 /nfs/dbraw/zinc/37/20/84/1136372084.db2.gz WLARBZXTQVEBBY-FDKRGKGCSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000813881856 1136372086 /nfs/dbraw/zinc/37/20/86/1136372086.db2.gz WLARBZXTQVEBBY-FDKRGKGCSA-N 2 1 341.543 3.644 20 0 EHADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000851813205 1136410486 /nfs/dbraw/zinc/41/04/86/1136410486.db2.gz QOAINMPWLQPCJP-PLACYPQZSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000851813205 1136410488 /nfs/dbraw/zinc/41/04/88/1136410488.db2.gz QOAINMPWLQPCJP-PLACYPQZSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000851813205 1136410489 /nfs/dbraw/zinc/41/04/89/1136410489.db2.gz QOAINMPWLQPCJP-PLACYPQZSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000851880846 1136415116 /nfs/dbraw/zinc/41/51/16/1136415116.db2.gz DKNCUSIXIIUFBY-PMACEKPBSA-N 2 1 328.500 3.542 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000854223280 1136599052 /nfs/dbraw/zinc/59/90/52/1136599052.db2.gz SAUKTYITSKXRME-YYIAUSFCSA-N 2 1 326.406 3.843 20 0 EHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000815615349 1136618955 /nfs/dbraw/zinc/61/89/55/1136618955.db2.gz NYSXJRPDZOIURF-OXQOHEQNSA-N 2 1 342.458 3.552 20 0 EHADMP CCc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](CC)CC)cc1 ZINC000815631763 1136621917 /nfs/dbraw/zinc/62/19/17/1136621917.db2.gz QGMOVJZPSHYCAU-LQCXBHPOSA-N 2 1 343.559 3.847 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000429529597 1136756141 /nfs/dbraw/zinc/75/61/41/1136756141.db2.gz MUJHJBJBCBWQQZ-SFHVURJKSA-N 2 1 325.456 3.790 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000429529597 1136756145 /nfs/dbraw/zinc/75/61/45/1136756145.db2.gz MUJHJBJBCBWQQZ-SFHVURJKSA-N 2 1 325.456 3.790 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C)CC(C)C)C2)ccn1 ZINC000856551242 1136794202 /nfs/dbraw/zinc/79/42/02/1136794202.db2.gz NRGKPGXPDSVMEG-XLIONFOSSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](C)CC(C)C)C2)ccn1 ZINC000856551242 1136794206 /nfs/dbraw/zinc/79/42/06/1136794206.db2.gz NRGKPGXPDSVMEG-XLIONFOSSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)ccn1 ZINC000856551242 1136794210 /nfs/dbraw/zinc/79/42/10/1136794210.db2.gz NRGKPGXPDSVMEG-XLIONFOSSA-N 2 1 333.520 3.669 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856547612 1136794292 /nfs/dbraw/zinc/79/42/92/1136794292.db2.gz BIXGHBZXIGOHCP-VQIMIIECSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856547612 1136794295 /nfs/dbraw/zinc/79/42/95/1136794295.db2.gz BIXGHBZXIGOHCP-VQIMIIECSA-N 2 1 333.520 3.669 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856547612 1136794297 /nfs/dbraw/zinc/79/42/97/1136794297.db2.gz BIXGHBZXIGOHCP-VQIMIIECSA-N 2 1 333.520 3.669 20 0 EHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001170861097 1136795713 /nfs/dbraw/zinc/79/57/13/1136795713.db2.gz LLSPLHHJUGETNA-GOSISDBHSA-N 2 1 327.516 3.716 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCCCC2=O)cc1 ZINC000817932020 1136846967 /nfs/dbraw/zinc/84/69/67/1136846967.db2.gz PJLOOQGPPKOJAH-IWMITWMQSA-N 2 1 349.478 3.999 20 0 EHADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)CCCO2 ZINC000817939594 1136847612 /nfs/dbraw/zinc/84/76/12/1136847612.db2.gz FLWICNYADACLPH-FQEVSTJZSA-N 2 1 339.483 3.627 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819077954 1136911418 /nfs/dbraw/zinc/91/14/18/1136911418.db2.gz FNCJSFREVXYIIE-HRAATJIYSA-N 2 1 342.458 3.674 20 0 EHADMP c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000857852310 1136913249 /nfs/dbraw/zinc/91/32/49/1136913249.db2.gz YFFZPDIYPXIULE-FQEVSTJZSA-N 2 1 338.499 3.953 20 0 EHADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000857852310 1136913252 /nfs/dbraw/zinc/91/32/52/1136913252.db2.gz YFFZPDIYPXIULE-FQEVSTJZSA-N 2 1 338.499 3.953 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)c(F)cc1Br ZINC000858100457 1136939961 /nfs/dbraw/zinc/93/99/61/1136939961.db2.gz HRLLBFSTSMFTPX-UHFFFAOYSA-N 2 1 340.240 3.581 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC000858145623 1136943766 /nfs/dbraw/zinc/94/37/66/1136943766.db2.gz ZNKAEGIDYWXYNH-UHFFFAOYSA-N 2 1 339.414 3.736 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cncn2Cc2ccccc2)cc1 ZINC000859213700 1137007843 /nfs/dbraw/zinc/00/78/43/1137007843.db2.gz ZWFHDJGZWHLDKI-UHFFFAOYSA-N 2 1 348.494 3.625 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cncn2Cc2ccccc2)cc1 ZINC000859213700 1137007845 /nfs/dbraw/zinc/00/78/45/1137007845.db2.gz ZWFHDJGZWHLDKI-UHFFFAOYSA-N 2 1 348.494 3.625 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2nsnc21 ZINC000859994697 1137039996 /nfs/dbraw/zinc/03/99/96/1137039996.db2.gz AGQCPZMDTSTMDO-UHFFFAOYSA-N 2 1 340.496 3.775 20 0 EHADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C[C@H](C)O1 ZINC000823553350 1137105702 /nfs/dbraw/zinc/10/57/02/1137105702.db2.gz AZFSTKUWTYBLPC-XEMDLRDOSA-N 2 1 345.531 3.833 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074544 1137166199 /nfs/dbraw/zinc/16/61/99/1137166199.db2.gz TZDXDFQJDXWXCD-ZLENFMNRSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074544 1137166201 /nfs/dbraw/zinc/16/62/01/1137166201.db2.gz TZDXDFQJDXWXCD-ZLENFMNRSA-N 2 1 327.299 3.781 20 0 EHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137024350 1137174397 /nfs/dbraw/zinc/17/43/97/1137174397.db2.gz VPWWRPPQVAPZTJ-DHIUTWEWSA-N 2 1 348.490 3.589 20 0 EHADMP CC[C@@]1([NH2+][C@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC001246467731 1137183147 /nfs/dbraw/zinc/18/31/47/1137183147.db2.gz ZSGPLLNACXSMJM-CZUORRHYSA-N 2 1 325.294 3.502 20 0 EHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001143710528 1137192734 /nfs/dbraw/zinc/19/27/34/1137192734.db2.gz ULMQFCOGRYMTIP-YPMHNXCESA-N 2 1 332.797 3.742 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001143710528 1137192735 /nfs/dbraw/zinc/19/27/35/1137192735.db2.gz ULMQFCOGRYMTIP-YPMHNXCESA-N 2 1 332.797 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001143710528 1137192736 /nfs/dbraw/zinc/19/27/36/1137192736.db2.gz ULMQFCOGRYMTIP-YPMHNXCESA-N 2 1 332.797 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001143710528 1137192738 /nfs/dbraw/zinc/19/27/38/1137192738.db2.gz ULMQFCOGRYMTIP-YPMHNXCESA-N 2 1 332.797 3.742 20 0 EHADMP CCOc1c(F)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC001143741846 1137195197 /nfs/dbraw/zinc/19/51/97/1137195197.db2.gz UKWKIFALJVHAJP-UHFFFAOYSA-N 2 1 328.859 3.651 20 0 EHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144250804 1137261672 /nfs/dbraw/zinc/26/16/72/1137261672.db2.gz AAWXCTRXBGJVRF-FQEVSTJZSA-N 2 1 333.435 3.834 20 0 EHADMP Cc1c(Cl)cccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000865624437 1137299553 /nfs/dbraw/zinc/29/95/53/1137299553.db2.gz YECYPPFJSRUFPP-LJQANCHMSA-N 2 1 344.886 3.505 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000865627713 1137300049 /nfs/dbraw/zinc/30/00/49/1137300049.db2.gz IZFMTCIYXJWWSG-DOMZBBRYSA-N 2 1 325.378 3.554 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000865627717 1137300066 /nfs/dbraw/zinc/30/00/66/1137300066.db2.gz IZFMTCIYXJWWSG-SWLSCSKDSA-N 2 1 325.378 3.554 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000865758899 1137309278 /nfs/dbraw/zinc/30/92/78/1137309278.db2.gz FCFNDEKDBZKJOP-YCZSINBZSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000865758899 1137309280 /nfs/dbraw/zinc/30/92/80/1137309280.db2.gz FCFNDEKDBZKJOP-YCZSINBZSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1cccc([C@@H](O)C[N@@H+](CC[C@H]2CC[NH2+]C2)Cc2ccccc2)c1 ZINC000846222330 1137342253 /nfs/dbraw/zinc/34/22/53/1137342253.db2.gz MMRHJNZWIZVTOO-KNQAVFIVSA-N 2 1 338.495 3.530 20 0 EHADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000866468147 1137357290 /nfs/dbraw/zinc/35/72/90/1137357290.db2.gz BNIZBYPOUPCEPD-LJQANCHMSA-N 2 1 344.478 3.738 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846776099 1137364955 /nfs/dbraw/zinc/36/49/55/1137364955.db2.gz JNJGWPUYSZZIHF-UHFFFAOYSA-N 2 1 327.875 3.818 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846776099 1137364957 /nfs/dbraw/zinc/36/49/57/1137364957.db2.gz JNJGWPUYSZZIHF-UHFFFAOYSA-N 2 1 327.875 3.818 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702299 1137374671 /nfs/dbraw/zinc/37/46/71/1137374671.db2.gz AIRMGHYXOWAWGR-SFHVURJKSA-N 2 1 333.501 3.908 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702299 1137374672 /nfs/dbraw/zinc/37/46/72/1137374672.db2.gz AIRMGHYXOWAWGR-SFHVURJKSA-N 2 1 333.501 3.908 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411691 1137475520 /nfs/dbraw/zinc/47/55/20/1137475520.db2.gz MFBQVJPDWBNPRO-SFHVURJKSA-N 2 1 342.433 3.772 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716629475 1137488040 /nfs/dbraw/zinc/48/80/40/1137488040.db2.gz YZLPSCPACALVTR-YKWDRNOUSA-N 2 1 335.495 3.655 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171547762 1137497268 /nfs/dbraw/zinc/49/72/68/1137497268.db2.gz SOTNNJVKZIJENX-AWEZNQCLSA-N 2 1 328.422 3.625 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1(C)C ZINC001171628686 1137499501 /nfs/dbraw/zinc/49/95/01/1137499501.db2.gz GIULZRXBNQFBGJ-IBGZPJMESA-N 2 1 329.532 3.627 20 0 EHADMP Cc1ccccc1C[N@@H+]1CC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171627603 1137501673 /nfs/dbraw/zinc/50/16/73/1137501673.db2.gz YJXYDOWQTZTSLS-IBGZPJMESA-N 2 1 343.559 3.810 20 0 EHADMP Cc1ccccc1CN1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171627603 1137501675 /nfs/dbraw/zinc/50/16/75/1137501675.db2.gz YJXYDOWQTZTSLS-IBGZPJMESA-N 2 1 343.559 3.810 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1(C)C ZINC001171642695 1137505156 /nfs/dbraw/zinc/50/51/56/1137505156.db2.gz LPMQBSDIRBFZAI-OAHLLOKOSA-N 2 1 338.536 3.834 20 0 EHADMP C[C@@H]1C[C@@H](n2c3ccccc3c3c2C[C@@H]([NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC001171732695 1137506986 /nfs/dbraw/zinc/50/69/86/1137506986.db2.gz LGONQEGRBGDIJG-NZSAHSFTSA-N 2 1 345.490 3.903 20 0 EHADMP C[C@@H]1C[C@H](n2c(CC[NH3+])cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733089 1137507273 /nfs/dbraw/zinc/50/72/73/1137507273.db2.gz IFDQUWZLGSQPQA-UTKZUKDTSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171743573 1137507980 /nfs/dbraw/zinc/50/79/80/1137507980.db2.gz CAFZABARCNPKSU-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171743573 1137507982 /nfs/dbraw/zinc/50/79/82/1137507982.db2.gz CAFZABARCNPKSU-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743573 1137507983 /nfs/dbraw/zinc/50/79/83/1137507983.db2.gz CAFZABARCNPKSU-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743573 1137507985 /nfs/dbraw/zinc/50/79/85/1137507985.db2.gz CAFZABARCNPKSU-PTUXOGIPSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@H]1C[C@@H](N2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171747079 1137507993 /nfs/dbraw/zinc/50/79/93/1137507993.db2.gz WMNORISLCXSXMX-SIKLNZKXSA-N 2 1 341.543 3.600 20 0 EHADMP CCC(CC)[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171733995 1137510317 /nfs/dbraw/zinc/51/03/17/1137510317.db2.gz LBDSRGHAQHXNQL-NQIIRXRSSA-N 2 1 343.559 3.892 20 0 EHADMP CCC(CC)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171733995 1137510318 /nfs/dbraw/zinc/51/03/18/1137510318.db2.gz LBDSRGHAQHXNQL-NQIIRXRSSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870868178 1137513724 /nfs/dbraw/zinc/51/37/24/1137513724.db2.gz YZWSEVQBDVCIFO-SRWJYRBRSA-N 2 1 341.499 3.532 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001171963169 1137519910 /nfs/dbraw/zinc/51/99/10/1137519910.db2.gz DRRCUHAKIFPYHP-WMLDXEAASA-N 2 1 326.406 3.664 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001171963169 1137519911 /nfs/dbraw/zinc/51/99/11/1137519911.db2.gz DRRCUHAKIFPYHP-WMLDXEAASA-N 2 1 326.406 3.664 20 0 EHADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967490 1137520797 /nfs/dbraw/zinc/52/07/97/1137520797.db2.gz ANGJQABVFMCXHQ-UXHICEINSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967490 1137520799 /nfs/dbraw/zinc/52/07/99/1137520799.db2.gz ANGJQABVFMCXHQ-UXHICEINSA-N 2 1 329.532 3.502 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967490 1137520800 /nfs/dbraw/zinc/52/08/00/1137520800.db2.gz ANGJQABVFMCXHQ-UXHICEINSA-N 2 1 329.532 3.502 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CC[N@@H+]1Cc1ccccc1 ZINC001171988867 1137522681 /nfs/dbraw/zinc/52/26/81/1137522681.db2.gz WVCSTRRCOGTUPW-MSOLQXFVSA-N 2 1 348.531 3.959 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CC[N@H+]1Cc1ccccc1 ZINC001171988867 1137522683 /nfs/dbraw/zinc/52/26/83/1137522683.db2.gz WVCSTRRCOGTUPW-MSOLQXFVSA-N 2 1 348.531 3.959 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171975752 1137525327 /nfs/dbraw/zinc/52/53/27/1137525327.db2.gz FHKJMFLPMKEOII-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171975752 1137525329 /nfs/dbraw/zinc/52/53/29/1137525329.db2.gz FHKJMFLPMKEOII-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@H]1O ZINC001171975752 1137525331 /nfs/dbraw/zinc/52/53/31/1137525331.db2.gz FHKJMFLPMKEOII-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977979 1137526065 /nfs/dbraw/zinc/52/60/65/1137526065.db2.gz IDQBFJVKRDWBOS-AABGKKOBSA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001171981271 1137526572 /nfs/dbraw/zinc/52/65/72/1137526572.db2.gz BXGZQKNMJQVYRR-KRWDZBQOSA-N 2 1 329.513 3.718 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171980069 1137526764 /nfs/dbraw/zinc/52/67/64/1137526764.db2.gz SEMYCDMMELKXNK-SVFBPWRDSA-N 2 1 328.500 3.588 20 0 EHADMP CC[N@H+](CCn1ccnc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987009 1137528325 /nfs/dbraw/zinc/52/83/25/1137528325.db2.gz OONOWUUDUYPOAF-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CC[N@@H+](CCn1ccnc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987009 1137528326 /nfs/dbraw/zinc/52/83/26/1137528326.db2.gz OONOWUUDUYPOAF-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987009 1137528327 /nfs/dbraw/zinc/52/83/27/1137528327.db2.gz OONOWUUDUYPOAF-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987009 1137528328 /nfs/dbraw/zinc/52/83/28/1137528328.db2.gz OONOWUUDUYPOAF-HXUWFJFHSA-N 2 1 340.515 3.648 20 0 EHADMP CCC1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074246 1137530030 /nfs/dbraw/zinc/53/00/30/1137530030.db2.gz GNUMMDGBCPDQAK-WKCHPHFGSA-N 2 1 342.527 3.809 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC4(COC4)CC2)C3)cc1 ZINC001172079775 1137530837 /nfs/dbraw/zinc/53/08/37/1137530837.db2.gz REKVWZFFKZICSE-WKCHPHFGSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082519 1137531784 /nfs/dbraw/zinc/53/17/84/1137531784.db2.gz KXAWNFPGNPEZMZ-RTOMLYRKSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082519 1137531785 /nfs/dbraw/zinc/53/17/85/1137531785.db2.gz KXAWNFPGNPEZMZ-RTOMLYRKSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082519 1137531786 /nfs/dbraw/zinc/53/17/86/1137531786.db2.gz KXAWNFPGNPEZMZ-RTOMLYRKSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@H]4COC[C@@H]4C2)C3)cc1 ZINC001172082519 1137531787 /nfs/dbraw/zinc/53/17/87/1137531787.db2.gz KXAWNFPGNPEZMZ-RTOMLYRKSA-N 2 1 340.511 3.540 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064060 1137533113 /nfs/dbraw/zinc/53/31/13/1137533113.db2.gz FAVBSKZVZPCWRM-WKCHPHFGSA-N 3 1 329.532 3.504 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172064060 1137533114 /nfs/dbraw/zinc/53/31/14/1137533114.db2.gz FAVBSKZVZPCWRM-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)OCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063285 1137533213 /nfs/dbraw/zinc/53/32/13/1137533213.db2.gz BQJICCXDVXKCAF-MZADTFQBSA-N 2 1 330.516 3.977 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069583 1137535193 /nfs/dbraw/zinc/53/51/93/1137535193.db2.gz RJKBNHLEPDHDQV-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069583 1137535195 /nfs/dbraw/zinc/53/51/95/1137535195.db2.gz RJKBNHLEPDHDQV-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069583 1137535196 /nfs/dbraw/zinc/53/51/96/1137535196.db2.gz RJKBNHLEPDHDQV-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@@]4(CCCO4)C2)C3)cc1 ZINC001172069583 1137535198 /nfs/dbraw/zinc/53/51/98/1137535198.db2.gz RJKBNHLEPDHDQV-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129078 1137535753 /nfs/dbraw/zinc/53/57/53/1137535753.db2.gz VYVJGOPZCQQGMI-IYWMVGAKSA-N 2 1 348.918 3.903 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129078 1137535755 /nfs/dbraw/zinc/53/57/55/1137535755.db2.gz VYVJGOPZCQQGMI-IYWMVGAKSA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129078 1137535756 /nfs/dbraw/zinc/53/57/56/1137535756.db2.gz VYVJGOPZCQQGMI-IYWMVGAKSA-N 2 1 348.918 3.903 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@@](C)(c3ccc(Cl)cc3)C1)C2 ZINC001172129078 1137535758 /nfs/dbraw/zinc/53/57/58/1137535758.db2.gz VYVJGOPZCQQGMI-IYWMVGAKSA-N 2 1 348.918 3.903 20 0 EHADMP COc1ccccc1CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172110243 1137536969 /nfs/dbraw/zinc/53/69/69/1137536969.db2.gz JCUQUHANCSCMPY-REPLKXPHSA-N 2 1 328.500 3.623 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)C2 ZINC001172112946 1137537611 /nfs/dbraw/zinc/53/76/11/1137537611.db2.gz BBLJLOKXSCZBCX-MUJYYYPQSA-N 2 1 326.406 3.853 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(F)c3)CC1)C2 ZINC001172120143 1137538114 /nfs/dbraw/zinc/53/81/14/1137538114.db2.gz DGHWDAOMBXVEID-BCDXTJNWSA-N 2 1 332.463 3.684 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(F)c3)CC1)C2 ZINC001172120143 1137538115 /nfs/dbraw/zinc/53/81/15/1137538115.db2.gz DGHWDAOMBXVEID-BCDXTJNWSA-N 2 1 332.463 3.684 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CO1 ZINC001172293782 1137548417 /nfs/dbraw/zinc/54/84/17/1137548417.db2.gz RSFPVTBBTPERCE-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293782 1137548419 /nfs/dbraw/zinc/54/84/19/1137548419.db2.gz RSFPVTBBTPERCE-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CO1 ZINC001172293782 1137548421 /nfs/dbraw/zinc/54/84/21/1137548421.db2.gz RSFPVTBBTPERCE-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCOC1 ZINC000872040535 1137567088 /nfs/dbraw/zinc/56/70/88/1137567088.db2.gz MDERPVNFOHGLKI-FYZZASKESA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCOC1 ZINC000872040535 1137567089 /nfs/dbraw/zinc/56/70/89/1137567089.db2.gz MDERPVNFOHGLKI-FYZZASKESA-N 2 1 330.516 3.692 20 0 EHADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000872155560 1137574143 /nfs/dbraw/zinc/57/41/43/1137574143.db2.gz QCARLXUIYRTEJM-UHFFFAOYSA-N 2 1 339.483 3.890 20 0 EHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1)C1CCCC1 ZINC000872156175 1137574201 /nfs/dbraw/zinc/57/42/01/1137574201.db2.gz FUOPFGGPXKOINK-QAPCUYQASA-N 2 1 331.504 3.673 20 0 EHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCC2SCCS2)C1)C1CCCC1 ZINC000872157535 1137574389 /nfs/dbraw/zinc/57/43/89/1137574389.db2.gz PKLJNIGBLHBEEA-GOEBONIOSA-N 2 1 328.591 3.802 20 0 EHADMP CCC[C@@H](C)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872174542 1137575201 /nfs/dbraw/zinc/57/52/01/1137575201.db2.gz BARCGXRTQBEMBQ-MRXNPFEDSA-N 2 1 342.487 3.509 20 0 EHADMP Fc1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057687 1137575397 /nfs/dbraw/zinc/57/53/97/1137575397.db2.gz MBJQNGKUFQZEOI-OALUTQOASA-N 2 1 349.453 3.871 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000873223914 1137594301 /nfs/dbraw/zinc/59/43/01/1137594301.db2.gz UKNBARKNWMZXLU-LJQANCHMSA-N 2 1 348.441 3.552 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000873223914 1137594302 /nfs/dbraw/zinc/59/43/02/1137594302.db2.gz UKNBARKNWMZXLU-LJQANCHMSA-N 2 1 348.441 3.552 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)[nH]n1 ZINC000873227671 1137594560 /nfs/dbraw/zinc/59/45/60/1137594560.db2.gz MPFZEKPEIWILAH-CQSZACIVSA-N 2 1 344.528 3.620 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n[nH]1 ZINC000873227671 1137594561 /nfs/dbraw/zinc/59/45/61/1137594561.db2.gz MPFZEKPEIWILAH-CQSZACIVSA-N 2 1 344.528 3.620 20 0 EHADMP CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n[nH]1 ZINC000873227671 1137594562 /nfs/dbraw/zinc/59/45/62/1137594562.db2.gz MPFZEKPEIWILAH-CQSZACIVSA-N 2 1 344.528 3.620 20 0 EHADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231576 1137594587 /nfs/dbraw/zinc/59/45/87/1137594587.db2.gz PBDKPEQQLJLIQY-YOEHRIQHSA-N 2 1 338.927 3.502 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1-n1cccn1 ZINC001137101008 1137644533 /nfs/dbraw/zinc/64/45/33/1137644533.db2.gz WYWQXLVVMDJQJV-PMACEKPBSA-N 2 1 338.499 3.711 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1-n1cccn1 ZINC001137101008 1137644534 /nfs/dbraw/zinc/64/45/34/1137644534.db2.gz WYWQXLVVMDJQJV-PMACEKPBSA-N 2 1 338.499 3.711 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccccc1-n1cccn1 ZINC001137101008 1137644535 /nfs/dbraw/zinc/64/45/35/1137644535.db2.gz WYWQXLVVMDJQJV-PMACEKPBSA-N 2 1 338.499 3.711 20 0 EHADMP CCOP(=O)(CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OCC ZINC000876754681 1137660392 /nfs/dbraw/zinc/66/03/92/1137660392.db2.gz HEAHLCVQOHBZJQ-KRWDZBQOSA-N 2 1 346.452 3.593 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000876932897 1137665628 /nfs/dbraw/zinc/66/56/28/1137665628.db2.gz YWQXMIBKWAIRSN-OAHLLOKOSA-N 2 1 344.890 3.794 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000876932897 1137665629 /nfs/dbraw/zinc/66/56/29/1137665629.db2.gz YWQXMIBKWAIRSN-OAHLLOKOSA-N 2 1 344.890 3.794 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000876959176 1137666260 /nfs/dbraw/zinc/66/62/60/1137666260.db2.gz PKKUCTRSYBSAPU-DOWNOZBLSA-N 2 1 332.469 3.810 20 0 EHADMP CC(C)C[N@H+](Cc1ncccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000877767830 1137689024 /nfs/dbraw/zinc/68/90/24/1137689024.db2.gz WWHQGULUHODHKU-UHFFFAOYSA-N 2 1 343.437 3.900 20 0 EHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCC2)O1 ZINC000878151281 1137704531 /nfs/dbraw/zinc/70/45/31/1137704531.db2.gz WYJKLUJPGLHGJN-PMACEKPBSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCC2)O1 ZINC000878151281 1137704532 /nfs/dbraw/zinc/70/45/32/1137704532.db2.gz WYJKLUJPGLHGJN-PMACEKPBSA-N 2 1 328.500 3.542 20 0 EHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCC2)O1 ZINC000878151281 1137704533 /nfs/dbraw/zinc/70/45/33/1137704533.db2.gz WYJKLUJPGLHGJN-PMACEKPBSA-N 2 1 328.500 3.542 20 0 EHADMP C=C/C=C/CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000879018731 1137735407 /nfs/dbraw/zinc/73/54/07/1137735407.db2.gz IAGSTNXEBDSWSU-YJJPMGAVSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C/CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018731 1137735408 /nfs/dbraw/zinc/73/54/08/1137735408.db2.gz IAGSTNXEBDSWSU-YJJPMGAVSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C/CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018731 1137735409 /nfs/dbraw/zinc/73/54/09/1137735409.db2.gz IAGSTNXEBDSWSU-YJJPMGAVSA-N 2 1 329.488 3.507 20 0 EHADMP Cc1ccccc1NC(=O)CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704105 1137755782 /nfs/dbraw/zinc/75/57/82/1137755782.db2.gz KYLCPEONXXIZMU-UHFFFAOYSA-N 2 1 345.531 3.623 20 0 EHADMP CC(C)(C)OC1CC([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022479 1137765663 /nfs/dbraw/zinc/76/56/63/1137765663.db2.gz RPEJNDWGTLFLSH-HKEJHHQYSA-N 2 1 342.527 3.786 20 0 EHADMP CC(C)(C)OC1CC([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022479 1137765664 /nfs/dbraw/zinc/76/56/64/1137765664.db2.gz RPEJNDWGTLFLSH-HKEJHHQYSA-N 2 1 342.527 3.786 20 0 EHADMP CC(C)(C)OC1CC([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022479 1137765665 /nfs/dbraw/zinc/76/56/65/1137765665.db2.gz RPEJNDWGTLFLSH-HKEJHHQYSA-N 2 1 342.527 3.786 20 0 EHADMP CC(C)(C)OC1CC([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000880022479 1137765666 /nfs/dbraw/zinc/76/56/66/1137765666.db2.gz RPEJNDWGTLFLSH-HKEJHHQYSA-N 2 1 342.527 3.786 20 0 EHADMP C[C@@H](C[C@H](O)c1ccco1)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000130497889 1137838902 /nfs/dbraw/zinc/83/89/02/1137838902.db2.gz IXXGPHKHQWYJKT-HKUYNNGSSA-N 2 1 344.499 3.839 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026303136 1137839535 /nfs/dbraw/zinc/83/95/35/1137839535.db2.gz JIFJLPXYRJKUHZ-UHFFFAOYSA-N 2 1 345.874 3.634 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000883351941 1137857008 /nfs/dbraw/zinc/85/70/08/1137857008.db2.gz OVIGWLVPTDNYGV-RXVVDRJESA-N 2 1 348.506 3.627 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1 ZINC000883384695 1137858754 /nfs/dbraw/zinc/85/87/54/1137858754.db2.gz XBXWSJMOIBVIIK-LJQANCHMSA-N 2 1 344.499 3.522 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202696727 1137929821 /nfs/dbraw/zinc/92/98/21/1137929821.db2.gz WXVQYRZYXBLVQN-FGZHOGPDSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202696727 1137929822 /nfs/dbraw/zinc/92/98/22/1137929822.db2.gz WXVQYRZYXBLVQN-FGZHOGPDSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202696727 1137929823 /nfs/dbraw/zinc/92/98/23/1137929823.db2.gz WXVQYRZYXBLVQN-FGZHOGPDSA-N 2 1 342.527 3.647 20 0 EHADMP C[C@H]1C[N@@H+](CCCc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981795 1138033292 /nfs/dbraw/zinc/03/32/92/1138033292.db2.gz HEOWWKJWPIOVBX-GOEBONIOSA-N 2 1 339.321 3.689 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cncc(F)c1 ZINC000886588181 1138100109 /nfs/dbraw/zinc/10/01/09/1138100109.db2.gz MICOMEWYUBGESP-WLKXKRCBSA-N 2 1 339.458 3.924 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cncc(F)c1 ZINC000886588181 1138100110 /nfs/dbraw/zinc/10/01/10/1138100110.db2.gz MICOMEWYUBGESP-WLKXKRCBSA-N 2 1 339.458 3.924 20 0 EHADMP COc1cncc(/C=C\CC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886659755 1138109936 /nfs/dbraw/zinc/10/99/36/1138109936.db2.gz UUELBPDRERKGTM-XQRVVYSFSA-N 2 1 340.471 3.713 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000886709504 1138121587 /nfs/dbraw/zinc/12/15/87/1138121587.db2.gz SCITXTLNLIOMGD-UHFFFAOYSA-N 2 1 349.906 3.619 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876121 1138163114 /nfs/dbraw/zinc/16/31/14/1138163114.db2.gz JNBPNKMBHPWKLI-QHAWAJNXSA-N 2 1 328.500 3.762 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CCCO2 ZINC000089513134 1138200717 /nfs/dbraw/zinc/20/07/17/1138200717.db2.gz QWUOMIVRGLRMGJ-GOSISDBHSA-N 2 1 332.488 3.761 20 0 EHADMP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000090459360 1138210666 /nfs/dbraw/zinc/21/06/66/1138210666.db2.gz CMYADFSDKBDREG-CQSZACIVSA-N 2 1 345.512 3.812 20 0 EHADMP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090459267 1138210731 /nfs/dbraw/zinc/21/07/31/1138210731.db2.gz GJQLWQZQBNJYFJ-AWEZNQCLSA-N 2 1 345.512 3.812 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2N(C)C)[C@H](C)C1 ZINC000093945319 1138243261 /nfs/dbraw/zinc/24/32/61/1138243261.db2.gz NRRZXAJPYUVNOB-WSTZPKSXSA-N 2 1 347.547 3.540 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122713817 1138260907 /nfs/dbraw/zinc/26/09/07/1138260907.db2.gz MPFQDLWXDGFASG-CQSZACIVSA-N 2 1 344.330 3.624 20 0 EHADMP c1cc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2[nH]1 ZINC000263835215 1138377576 /nfs/dbraw/zinc/37/75/76/1138377576.db2.gz BRKCXOXEVFMKEO-UHFFFAOYSA-N 2 1 333.479 3.965 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1Cl ZINC000128266181 1138384408 /nfs/dbraw/zinc/38/44/08/1138384408.db2.gz XAIVFWMNPMTLOS-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP FC(F)(F)Oc1ccc(CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000091621992 1138430342 /nfs/dbraw/zinc/43/03/42/1138430342.db2.gz MGBGJWDXZIBHBC-CQSZACIVSA-N 2 1 339.361 3.730 20 0 EHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000337246427 1138507249 /nfs/dbraw/zinc/50/72/49/1138507249.db2.gz JPBKKLGALGJYLL-HZSPNIEDSA-N 2 1 337.895 3.601 20 0 EHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000337246427 1138507251 /nfs/dbraw/zinc/50/72/51/1138507251.db2.gz JPBKKLGALGJYLL-HZSPNIEDSA-N 2 1 337.895 3.601 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)ccc1OC(F)F ZINC000132121080 1138563332 /nfs/dbraw/zinc/56/33/32/1138563332.db2.gz OKGZCCNZXGPTNI-LBPRGKRZSA-N 2 1 330.419 3.535 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000338007192 1138722301 /nfs/dbraw/zinc/72/23/01/1138722301.db2.gz KKNBTLHRCBBLPD-RYRKJORJSA-N 2 1 327.447 3.782 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338007192 1138722302 /nfs/dbraw/zinc/72/23/02/1138722302.db2.gz KKNBTLHRCBBLPD-RYRKJORJSA-N 2 1 327.447 3.782 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000338007726 1138722307 /nfs/dbraw/zinc/72/23/07/1138722307.db2.gz BCPABISLCAYDLG-RTBURBONSA-N 2 1 327.472 3.555 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000338024006 1138726491 /nfs/dbraw/zinc/72/64/91/1138726491.db2.gz PIZOQLPIBOECIZ-SFHVURJKSA-N 2 1 345.531 3.523 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H]3CCc4c3c(F)ccc4F)CC2)[nH+]1 ZINC000338165666 1138771801 /nfs/dbraw/zinc/77/18/01/1138771801.db2.gz DSFAHBNEYVIOAG-SFHVURJKSA-N 2 1 343.421 3.914 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000152431571 1139090350 /nfs/dbraw/zinc/09/03/50/1139090350.db2.gz IJBPJAFPRGOQOS-KFWWJZLASA-N 2 1 329.513 3.862 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000181609213 1139918737 /nfs/dbraw/zinc/91/87/37/1139918737.db2.gz MAIPPPRMJDWEEH-ZCNNSNEGSA-N 2 1 328.500 3.574 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000183125110 1140014397 /nfs/dbraw/zinc/01/43/97/1140014397.db2.gz UKYFTXAHOJTORY-NNWRFLSQSA-N 2 1 335.495 3.514 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000187777959 1140271388 /nfs/dbraw/zinc/27/13/88/1140271388.db2.gz GRAFUDFCBUWCBZ-APWZRJJASA-N 2 1 344.478 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000187777959 1140271390 /nfs/dbraw/zinc/27/13/90/1140271390.db2.gz GRAFUDFCBUWCBZ-APWZRJJASA-N 2 1 344.478 3.740 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000191485600 1140466341 /nfs/dbraw/zinc/46/63/41/1140466341.db2.gz AMOUZNNDDDIBJA-UHFFFAOYSA-N 2 1 337.414 3.959 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000191485600 1140466347 /nfs/dbraw/zinc/46/63/47/1140466347.db2.gz AMOUZNNDDDIBJA-UHFFFAOYSA-N 2 1 337.414 3.959 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCO[C@@H](C4CC4)C2)C3)cc1 ZINC000193291826 1140569237 /nfs/dbraw/zinc/56/92/37/1140569237.db2.gz DSTATJRUUSKUHK-SPVGOVNVSA-N 2 1 340.511 3.729 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268731658 1140978490 /nfs/dbraw/zinc/97/84/90/1140978490.db2.gz UGLQERDBYIAOEL-RLLQIKCJSA-N 2 1 341.499 3.525 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789499 1140992260 /nfs/dbraw/zinc/99/22/60/1140992260.db2.gz TXQYFGWXGCHFIL-ZIAGYGMSSA-N 2 1 330.394 3.620 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268844675 1141006597 /nfs/dbraw/zinc/00/65/97/1141006597.db2.gz ONHDZACWNLPDGM-SJORKVTESA-N 2 1 346.519 3.599 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1 ZINC000268944986 1141031903 /nfs/dbraw/zinc/03/19/03/1141031903.db2.gz BADSJFVJNXEWJJ-LAUBAEHRSA-N 2 1 349.478 3.998 20 0 EHADMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC ZINC000269012566 1141046214 /nfs/dbraw/zinc/04/62/14/1141046214.db2.gz NXCPBDBHYQLQAG-HNNXBMFYSA-N 2 1 332.488 3.509 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000269026785 1141050474 /nfs/dbraw/zinc/05/04/74/1141050474.db2.gz RZSPAXBUSDVOGI-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000269026785 1141050480 /nfs/dbraw/zinc/05/04/80/1141050480.db2.gz RZSPAXBUSDVOGI-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269616058 1141127535 /nfs/dbraw/zinc/12/75/35/1141127535.db2.gz CVLDYGCTFWCNCA-AQNXPRMDSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269616058 1141127536 /nfs/dbraw/zinc/12/75/36/1141127536.db2.gz CVLDYGCTFWCNCA-AQNXPRMDSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269616058 1141127540 /nfs/dbraw/zinc/12/75/40/1141127540.db2.gz CVLDYGCTFWCNCA-AQNXPRMDSA-N 2 1 334.479 3.588 20 0 EHADMP COC1(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000339213135 1141530022 /nfs/dbraw/zinc/53/00/22/1141530022.db2.gz UOXLFNNYTNOYNU-UHFFFAOYSA-N 2 1 342.527 3.934 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc(OCC[NH+](C)C)c1 ZINC000348798525 1141581580 /nfs/dbraw/zinc/58/15/80/1141581580.db2.gz HVDSQAIBEHLIKB-OAHLLOKOSA-N 2 1 338.455 3.687 20 0 EHADMP CC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348969478 1141617131 /nfs/dbraw/zinc/61/71/31/1141617131.db2.gz UDFOJXBZXPIJRP-UHFFFAOYSA-N 2 1 328.504 3.623 20 0 EHADMP CC[N@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349008324 1141621415 /nfs/dbraw/zinc/62/14/15/1141621415.db2.gz NYWWEOHFEZEYLN-UHFFFAOYSA-N 2 1 336.483 3.726 20 0 EHADMP CC[N@@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349008324 1141621419 /nfs/dbraw/zinc/62/14/19/1141621419.db2.gz NYWWEOHFEZEYLN-UHFFFAOYSA-N 2 1 336.483 3.726 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000037786251 213167166 /nfs/dbraw/zinc/16/71/66/213167166.db2.gz BXVHVBXPIKPYKA-UHFFFAOYSA-N 2 1 331.323 3.863 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000035044085 521580555 /nfs/dbraw/zinc/58/05/55/521580555.db2.gz XBBAFTKAOGUWNV-GFCCVEGCSA-N 2 1 341.293 3.593 20 0 EHADMP Cc1cc(C)[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953758 722012891 /nfs/dbraw/zinc/01/28/91/722012891.db2.gz GLRHUDFYDBSMIA-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000153408940 1125483159 /nfs/dbraw/zinc/48/31/59/1125483159.db2.gz RLAZUCUBVYMPSU-KZNAEPCWSA-N 2 1 335.561 3.593 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970496 1032072434 /nfs/dbraw/zinc/07/24/34/1032072434.db2.gz XGOAMVVMTATUDT-MBSDFSHPSA-N 2 1 334.507 3.902 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970496 1032072444 /nfs/dbraw/zinc/07/24/44/1032072444.db2.gz XGOAMVVMTATUDT-MBSDFSHPSA-N 2 1 334.507 3.902 20 0 EHADMP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000536662797 1032080444 /nfs/dbraw/zinc/08/04/44/1032080444.db2.gz AKXYBYVMNODTDD-IBGZPJMESA-N 2 1 328.500 3.850 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000536662797 1032080495 /nfs/dbraw/zinc/08/04/95/1032080495.db2.gz AKXYBYVMNODTDD-IBGZPJMESA-N 2 1 328.500 3.850 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378169 1026841009 /nfs/dbraw/zinc/84/10/09/1026841009.db2.gz DDHFJWMIGGFMRL-XJKSGUPXSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378169 1026841020 /nfs/dbraw/zinc/84/10/20/1026841020.db2.gz DDHFJWMIGGFMRL-XJKSGUPXSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378169 1026841030 /nfs/dbraw/zinc/84/10/30/1026841030.db2.gz DDHFJWMIGGFMRL-XJKSGUPXSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378169 1026841036 /nfs/dbraw/zinc/84/10/36/1026841036.db2.gz DDHFJWMIGGFMRL-XJKSGUPXSA-N 2 1 325.294 3.754 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1SC ZINC000459426686 1032109420 /nfs/dbraw/zinc/10/94/20/1032109420.db2.gz NLNOQUXFWLQCAL-ABHMUUKNSA-N 2 1 348.556 3.538 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1SC ZINC000459426686 1032109427 /nfs/dbraw/zinc/10/94/27/1032109427.db2.gz NLNOQUXFWLQCAL-ABHMUUKNSA-N 2 1 348.556 3.538 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000154503070 1015507816 /nfs/dbraw/zinc/50/78/16/1015507816.db2.gz MOJPHNJKAHLMHN-OAHLLOKOSA-N 2 1 341.902 3.547 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876079 1015561978 /nfs/dbraw/zinc/56/19/78/1015561978.db2.gz GPGNVOZQRRWAKA-UYAOXDASSA-N 2 1 332.532 3.675 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001208920280 1015594186 /nfs/dbraw/zinc/59/41/86/1015594186.db2.gz KOYGTPIZEQMQJX-OAQYLSRUSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208920280 1015594203 /nfs/dbraw/zinc/59/42/03/1015594203.db2.gz KOYGTPIZEQMQJX-OAQYLSRUSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208920280 1015594217 /nfs/dbraw/zinc/59/42/17/1015594217.db2.gz KOYGTPIZEQMQJX-OAQYLSRUSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208920280 1015594227 /nfs/dbraw/zinc/59/42/27/1015594227.db2.gz KOYGTPIZEQMQJX-OAQYLSRUSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208920280 1015594237 /nfs/dbraw/zinc/59/42/37/1015594237.db2.gz KOYGTPIZEQMQJX-OAQYLSRUSA-N 2 1 328.500 3.590 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846792 1015740249 /nfs/dbraw/zinc/74/02/49/1015740249.db2.gz LAQBZOCTOOORPW-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846792 1015740254 /nfs/dbraw/zinc/74/02/54/1015740254.db2.gz LAQBZOCTOOORPW-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846792 1015740258 /nfs/dbraw/zinc/74/02/58/1015740258.db2.gz LAQBZOCTOOORPW-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP CC(=O)OC(C)(C)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209155146 1015853249 /nfs/dbraw/zinc/85/32/49/1015853249.db2.gz GIQZJYUVKMHPBR-FQEVSTJZSA-N 2 1 346.515 3.562 20 0 EHADMP CC(=O)OC(C)(C)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209155146 1015853259 /nfs/dbraw/zinc/85/32/59/1015853259.db2.gz GIQZJYUVKMHPBR-FQEVSTJZSA-N 2 1 346.515 3.562 20 0 EHADMP CC(=O)OC(C)(C)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209155146 1015853264 /nfs/dbraw/zinc/85/32/64/1015853264.db2.gz GIQZJYUVKMHPBR-FQEVSTJZSA-N 2 1 346.515 3.562 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)C(C)C ZINC000459446127 1032131495 /nfs/dbraw/zinc/13/14/95/1032131495.db2.gz SUEYCRSZOSFBNL-IBGZPJMESA-N 2 1 347.547 3.510 20 0 EHADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnc(C3CCCCC3)s1)C2 ZINC000547768071 1016074917 /nfs/dbraw/zinc/07/49/17/1016074917.db2.gz LLJWJLRRQWAKEO-AWEZNQCLSA-N 2 1 330.501 3.740 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000449086236 1032143767 /nfs/dbraw/zinc/14/37/67/1032143767.db2.gz BKHRNKZWSGCHER-OALUTQOASA-N 2 1 335.580 3.882 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000076443405 1016349052 /nfs/dbraw/zinc/34/90/52/1016349052.db2.gz AMWXBOVHVUHJCF-UYAOXDASSA-N 2 1 338.495 3.910 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(Cl)n1 ZINC000708507414 1032159243 /nfs/dbraw/zinc/15/92/43/1032159243.db2.gz VDMTVKBDNFIJLZ-HNAYVOBHSA-N 2 1 343.902 3.901 20 0 EHADMP Cc1cc(NC2CC[NH+](C3CC3)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000459461470 1032161402 /nfs/dbraw/zinc/16/14/02/1032161402.db2.gz JOYDXBSNYXIXIJ-INIZCTEOSA-N 2 1 328.504 3.808 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@H]1SC ZINC000459460419 1032161639 /nfs/dbraw/zinc/16/16/39/1032161639.db2.gz HWCOBPMRNBQIBT-GUDVDZBRSA-N 2 1 336.545 3.525 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449091790 1032198999 /nfs/dbraw/zinc/19/89/99/1032198999.db2.gz KSQVGECTDLNHDF-LJQANCHMSA-N 2 1 348.918 3.712 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000449093465 1032199545 /nfs/dbraw/zinc/19/95/45/1032199545.db2.gz XKKSLJZKEJACCD-STQMWFEESA-N 2 1 349.450 3.805 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000449093465 1032199551 /nfs/dbraw/zinc/19/95/51/1032199551.db2.gz XKKSLJZKEJACCD-STQMWFEESA-N 2 1 349.450 3.805 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449136643 1032231818 /nfs/dbraw/zinc/23/18/18/1032231818.db2.gz BZXFZTZQRGMRFL-QFBILLFUSA-N 2 1 330.472 3.659 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459548105 1032266357 /nfs/dbraw/zinc/26/63/57/1032266357.db2.gz UJUWSSTWJZIROG-FQEVSTJZSA-N 2 1 341.499 3.855 20 0 EHADMP COC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC(c2ccccc2)CC1 ZINC000459555069 1032274290 /nfs/dbraw/zinc/27/42/90/1032274290.db2.gz FMGSLUGSSFMERK-UHFFFAOYSA-N 2 1 342.527 3.946 20 0 EHADMP C[C@@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442954 1032283644 /nfs/dbraw/zinc/28/36/44/1032283644.db2.gz YVTXHJPUZYRKJY-HIFRSBDPSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442954 1032283652 /nfs/dbraw/zinc/28/36/52/1032283652.db2.gz YVTXHJPUZYRKJY-HIFRSBDPSA-N 2 1 341.421 3.843 20 0 EHADMP COCc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278751921 1032333791 /nfs/dbraw/zinc/33/37/91/1032333791.db2.gz AYXCFXIUJQRKAY-UHFFFAOYSA-N 2 1 339.483 3.745 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000536844286 1032339050 /nfs/dbraw/zinc/33/90/50/1032339050.db2.gz GMTOKEJZPFKFJK-IMJJTQAJSA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000536844286 1032339060 /nfs/dbraw/zinc/33/90/60/1032339060.db2.gz GMTOKEJZPFKFJK-IMJJTQAJSA-N 2 1 339.321 3.843 20 0 EHADMP Cc1cccc(CC[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536858381 1032357401 /nfs/dbraw/zinc/35/74/01/1032357401.db2.gz OWNUAFZPBXOTFX-SLFFLAALSA-N 2 1 332.532 3.795 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000538446051 1032373462 /nfs/dbraw/zinc/37/34/62/1032373462.db2.gz BJRRJVLIWQIPIC-UHFFFAOYSA-N 2 1 340.442 3.756 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)Oc1ccccc1 ZINC000536878626 1032382165 /nfs/dbraw/zinc/38/21/65/1032382165.db2.gz TWLAMPLGCWTUDY-JQVVWYNYSA-N 2 1 338.495 3.954 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1C ZINC000459662613 1032391617 /nfs/dbraw/zinc/39/16/17/1032391617.db2.gz HEURRHYDSMMSHA-BAGYTPMASA-N 2 1 335.495 3.699 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1C ZINC000459662613 1032391625 /nfs/dbraw/zinc/39/16/25/1032391625.db2.gz HEURRHYDSMMSHA-BAGYTPMASA-N 2 1 335.495 3.699 20 0 EHADMP COc1cc(C)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000449291148 1032432784 /nfs/dbraw/zinc/43/27/84/1032432784.db2.gz JOGKKJQNBCJGPV-UHFFFAOYSA-N 2 1 339.483 3.916 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000459731199 1032435161 /nfs/dbraw/zinc/43/51/61/1032435161.db2.gz KVQDTQOMHJSGNE-CQSZACIVSA-N 2 1 332.879 3.552 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784034 1032466337 /nfs/dbraw/zinc/46/63/37/1032466337.db2.gz NXLGNRBVOCFTAY-FUHWJXTLSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459784034 1032466343 /nfs/dbraw/zinc/46/63/43/1032466343.db2.gz NXLGNRBVOCFTAY-FUHWJXTLSA-N 3 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784034 1032466354 /nfs/dbraw/zinc/46/63/54/1032466354.db2.gz NXLGNRBVOCFTAY-FUHWJXTLSA-N 3 1 326.488 3.563 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000657860409 1032557765 /nfs/dbraw/zinc/55/77/65/1032557765.db2.gz HBBZADBDMXBBBX-AWEZNQCLSA-N 2 1 328.472 3.638 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000657860409 1032557773 /nfs/dbraw/zinc/55/77/73/1032557773.db2.gz HBBZADBDMXBBBX-AWEZNQCLSA-N 2 1 328.472 3.638 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655690504 1017392101 /nfs/dbraw/zinc/39/21/01/1017392101.db2.gz BPMGYMHKTHCMAB-YLJYHZDGSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655690504 1017392116 /nfs/dbraw/zinc/39/21/16/1017392116.db2.gz BPMGYMHKTHCMAB-YLJYHZDGSA-N 2 1 338.499 3.740 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2)CC1 ZINC000655692076 1017400652 /nfs/dbraw/zinc/40/06/52/1017400652.db2.gz DJPLYYVVUGGCTQ-HXUWFJFHSA-N 2 1 338.499 3.740 20 0 EHADMP c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000655704187 1017419219 /nfs/dbraw/zinc/41/92/19/1017419219.db2.gz SBGWEQISPCDFSR-QFIPXVFZSA-N 2 1 336.479 3.697 20 0 EHADMP CCOc1ccccc1[C@@H](CC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655704350 1017420690 /nfs/dbraw/zinc/42/06/90/1017420690.db2.gz BHDPTIKUXGFBNC-AZUAARDMSA-N 2 1 346.515 3.769 20 0 EHADMP c1cn2c(n1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CCC2 ZINC000655704024 1017423530 /nfs/dbraw/zinc/42/35/30/1017423530.db2.gz PLOQWBMICMDQOO-FQEVSTJZSA-N 2 1 338.499 3.884 20 0 EHADMP CCc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655720657 1017455818 /nfs/dbraw/zinc/45/58/18/1017455818.db2.gz BYPPJPWTAZBUBM-NRFANRHFSA-N 2 1 344.543 3.760 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415087662 1017535928 /nfs/dbraw/zinc/53/59/28/1017535928.db2.gz LEVXELXLPARCTR-FNHZYXHNSA-N 2 1 328.431 3.978 20 0 EHADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415106593 1017549848 /nfs/dbraw/zinc/54/98/48/1017549848.db2.gz OBDOOEZFOIVZOJ-LRSLUSHPSA-N 2 1 336.479 3.847 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1Br ZINC000415108821 1017566698 /nfs/dbraw/zinc/56/66/98/1017566698.db2.gz QNKZVKMAGPUZCG-HRCADAONSA-N 2 1 337.305 3.768 20 0 EHADMP COc1cccc(OCCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415126194 1017579025 /nfs/dbraw/zinc/57/90/25/1017579025.db2.gz UEFNWANJGAHHRB-RXVVDRJESA-N 2 1 340.467 3.547 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 ZINC000655787489 1017596471 /nfs/dbraw/zinc/59/64/71/1017596471.db2.gz WWPRRMZIFVPGKO-VXKWHMMOSA-N 2 1 342.527 3.631 20 0 EHADMP Cc1cnc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000655809859 1017670256 /nfs/dbraw/zinc/67/02/56/1017670256.db2.gz DWWJQISRQUNEKM-UHFFFAOYSA-N 2 1 337.511 3.538 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000137640764 1017729282 /nfs/dbraw/zinc/72/92/82/1017729282.db2.gz KWTKAGCXSDIIFW-RTBURBONSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000137640764 1017729290 /nfs/dbraw/zinc/72/92/90/1017729290.db2.gz KWTKAGCXSDIIFW-RTBURBONSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000137640764 1017729293 /nfs/dbraw/zinc/72/92/93/1017729293.db2.gz KWTKAGCXSDIIFW-RTBURBONSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000137640764 1017729301 /nfs/dbraw/zinc/72/93/01/1017729301.db2.gz KWTKAGCXSDIIFW-RTBURBONSA-N 2 1 345.531 3.745 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCCO1 ZINC000655850548 1017772572 /nfs/dbraw/zinc/77/25/72/1017772572.db2.gz WUVPRFBAJBKMMC-NHCUHLMSSA-N 2 1 348.506 3.770 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000275644294 1017877517 /nfs/dbraw/zinc/87/75/17/1017877517.db2.gz TYZVFKUPIICXGB-OLZOCXBDSA-N 2 1 334.261 3.559 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000655940507 1017968451 /nfs/dbraw/zinc/96/84/51/1017968451.db2.gz SVVWBANYJMDORJ-CUWPLCDZSA-N 2 1 346.515 3.537 20 0 EHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000655942172 1017970549 /nfs/dbraw/zinc/97/05/49/1017970549.db2.gz KECRHJOYUDMIMF-SFHLNBCPSA-N 2 1 346.515 3.679 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893019727 1018179928 /nfs/dbraw/zinc/17/99/28/1018179928.db2.gz MDJBEEOBQSKJQP-OLECLDRESA-N 2 1 336.545 3.926 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000893019727 1018179948 /nfs/dbraw/zinc/17/99/48/1018179948.db2.gz MDJBEEOBQSKJQP-OLECLDRESA-N 2 1 336.545 3.926 20 0 EHADMP CCCN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001167331852 1018203337 /nfs/dbraw/zinc/20/33/37/1018203337.db2.gz BIAIOASEZLTZPV-YADHBBJMSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167331852 1018203350 /nfs/dbraw/zinc/20/33/50/1018203350.db2.gz BIAIOASEZLTZPV-YADHBBJMSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001167331852 1018203361 /nfs/dbraw/zinc/20/33/61/1018203361.db2.gz BIAIOASEZLTZPV-YADHBBJMSA-N 2 1 343.559 3.847 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123503162 1018314103 /nfs/dbraw/zinc/31/41/03/1018314103.db2.gz YNNKFBHWDYFBFR-QWHCGFSZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123503162 1018314114 /nfs/dbraw/zinc/31/41/14/1018314114.db2.gz YNNKFBHWDYFBFR-QWHCGFSZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123503162 1018314128 /nfs/dbraw/zinc/31/41/28/1018314128.db2.gz YNNKFBHWDYFBFR-QWHCGFSZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123503162 1018314139 /nfs/dbraw/zinc/31/41/39/1018314139.db2.gz YNNKFBHWDYFBFR-QWHCGFSZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123503563 1018314321 /nfs/dbraw/zinc/31/43/21/1018314321.db2.gz YNNKFBHWDYFBFR-STQMWFEESA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123503563 1018314332 /nfs/dbraw/zinc/31/43/32/1018314332.db2.gz YNNKFBHWDYFBFR-STQMWFEESA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123503563 1018314345 /nfs/dbraw/zinc/31/43/45/1018314345.db2.gz YNNKFBHWDYFBFR-STQMWFEESA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123503563 1018314351 /nfs/dbraw/zinc/31/43/51/1018314351.db2.gz YNNKFBHWDYFBFR-STQMWFEESA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC[N@@H+]1C ZINC000539217837 1018393195 /nfs/dbraw/zinc/39/31/95/1018393195.db2.gz MTLSWWVIDITVLY-DQYPLSBCSA-N 2 1 337.305 3.973 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC[N@H+]1C ZINC000539217837 1018393202 /nfs/dbraw/zinc/39/32/02/1018393202.db2.gz MTLSWWVIDITVLY-DQYPLSBCSA-N 2 1 337.305 3.973 20 0 EHADMP CCOCc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000271041012 1018540692 /nfs/dbraw/zinc/54/06/92/1018540692.db2.gz MVDTVHZUZQOPLQ-UHFFFAOYSA-N 2 1 334.504 3.536 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193749 1018766298 /nfs/dbraw/zinc/76/62/98/1018766298.db2.gz SCBPSQPVGNHWNV-PKOBYXMFSA-N 2 1 328.500 3.731 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193749 1018766310 /nfs/dbraw/zinc/76/63/10/1018766310.db2.gz SCBPSQPVGNHWNV-PKOBYXMFSA-N 2 1 328.500 3.731 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560050 1032807276 /nfs/dbraw/zinc/80/72/76/1032807276.db2.gz FISOWOGMEGCXTA-MIJOPJBOSA-N 2 1 343.515 3.742 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000513212687 1019418033 /nfs/dbraw/zinc/41/80/33/1019418033.db2.gz OWCWZMMQGZLLOL-NRSPTQNISA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212687 1019418056 /nfs/dbraw/zinc/41/80/56/1019418056.db2.gz OWCWZMMQGZLLOL-NRSPTQNISA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000513212687 1019418061 /nfs/dbraw/zinc/41/80/61/1019418061.db2.gz OWCWZMMQGZLLOL-NRSPTQNISA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513239431 1019466552 /nfs/dbraw/zinc/46/65/52/1019466552.db2.gz YEGQGSBIKJUWQG-YUXAGFNASA-N 2 1 338.495 3.753 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513239431 1019466554 /nfs/dbraw/zinc/46/65/54/1019466554.db2.gz YEGQGSBIKJUWQG-YUXAGFNASA-N 2 1 338.495 3.753 20 0 EHADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000433630147 1019469482 /nfs/dbraw/zinc/46/94/82/1019469482.db2.gz DGQYUPYISPVFJZ-ZGJYDULXSA-N 2 1 342.527 3.548 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000471589999 1019562610 /nfs/dbraw/zinc/56/26/10/1019562610.db2.gz UAFNNKMAZHXZLD-AFKBCAQJSA-N 2 1 330.516 3.689 20 0 EHADMP COc1cc(-c2ccccc2)ccc1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000513379840 1019581941 /nfs/dbraw/zinc/58/19/41/1019581941.db2.gz YFMGZFZWQUITJP-NQIIRXRSSA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000513379840 1019581953 /nfs/dbraw/zinc/58/19/53/1019581953.db2.gz YFMGZFZWQUITJP-NQIIRXRSSA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000513379840 1019581964 /nfs/dbraw/zinc/58/19/64/1019581964.db2.gz YFMGZFZWQUITJP-NQIIRXRSSA-N 2 1 336.479 3.888 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000580551535 1019625912 /nfs/dbraw/zinc/62/59/12/1019625912.db2.gz QLMZYSVECCJLMA-JKSUJKDBSA-N 2 1 326.406 3.569 20 0 EHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC001204735169 1019756456 /nfs/dbraw/zinc/75/64/56/1019756456.db2.gz MPONGFFFQPIQJD-UHFFFAOYSA-N 2 1 342.405 3.680 20 0 EHADMP Cc1cnccc1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000580711584 1019896385 /nfs/dbraw/zinc/89/63/85/1019896385.db2.gz FYHGEKYILNOXQH-IBGZPJMESA-N 2 1 329.532 3.909 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000513656890 1019912946 /nfs/dbraw/zinc/91/29/46/1019912946.db2.gz YSJOXYBXUOGAPW-SQNIBIBYSA-N 2 1 349.906 3.521 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CC3Cc4ccccc4C3)C2)c1 ZINC000580746666 1019970260 /nfs/dbraw/zinc/97/02/60/1019970260.db2.gz WFQRVKUXJKTBPK-KRWDZBQOSA-N 2 1 340.536 3.965 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CC3Cc4ccccc4C3)C2)c1 ZINC000580746666 1019970274 /nfs/dbraw/zinc/97/02/74/1019970274.db2.gz WFQRVKUXJKTBPK-KRWDZBQOSA-N 2 1 340.536 3.965 20 0 EHADMP CC(C)(C[NH2+]CCC(=O)Nc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000580853683 1020149295 /nfs/dbraw/zinc/14/92/95/1020149295.db2.gz QHQXPEBHTIQZFY-UHFFFAOYSA-N 2 1 337.895 3.523 20 0 EHADMP CCCc1ncc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000449612526 1032882024 /nfs/dbraw/zinc/88/20/24/1032882024.db2.gz MQHXUOOBNRRWGX-YSIASYRMSA-N 2 1 339.483 3.627 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398297842 1020193106 /nfs/dbraw/zinc/19/31/06/1020193106.db2.gz KSAUYOPFVQSHAJ-DZVNLGKHSA-N 2 1 338.417 3.828 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398297842 1020193110 /nfs/dbraw/zinc/19/31/10/1020193110.db2.gz KSAUYOPFVQSHAJ-DZVNLGKHSA-N 2 1 338.417 3.828 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000280696117 1020574509 /nfs/dbraw/zinc/57/45/09/1020574509.db2.gz ABIWSUDNPSRAAM-JRGKDQQJSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430554857 1020662962 /nfs/dbraw/zinc/66/29/62/1020662962.db2.gz OAQNNUUNNFHACJ-HUUCEWRRSA-N 2 1 344.421 3.924 20 0 EHADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085417 1020700129 /nfs/dbraw/zinc/70/01/29/1020700129.db2.gz ZGXRMOBVYDBJIM-RXVVDRJESA-N 2 1 345.531 3.825 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501312 1021057931 /nfs/dbraw/zinc/05/79/31/1021057931.db2.gz FERCRZYEJGFCJV-UXHICEINSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CCC2(CN(C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501312 1021057936 /nfs/dbraw/zinc/05/79/36/1021057936.db2.gz FERCRZYEJGFCJV-UXHICEINSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CCC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501312 1021057941 /nfs/dbraw/zinc/05/79/41/1021057941.db2.gz FERCRZYEJGFCJV-UXHICEINSA-N 2 1 335.580 3.552 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(C[C@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001279502698 1021088442 /nfs/dbraw/zinc/08/84/42/1021088442.db2.gz VKCNFRRQXXHWJL-XSDIEEQYSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@@H]2CCN(C[C@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001279502698 1021088447 /nfs/dbraw/zinc/08/84/47/1021088447.db2.gz VKCNFRRQXXHWJL-XSDIEEQYSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@@H]2CCN(C[C@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001279502698 1021088451 /nfs/dbraw/zinc/08/84/51/1021088451.db2.gz VKCNFRRQXXHWJL-XSDIEEQYSA-N 2 1 335.580 3.551 20 0 EHADMP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167963758 1021185464 /nfs/dbraw/zinc/18/54/64/1021185464.db2.gz CLKKTSDHMLHXDL-IHWFROFDSA-N 2 1 328.500 3.623 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1 ZINC000414892114 1021253191 /nfs/dbraw/zinc/25/31/91/1021253191.db2.gz WJQARSLEBCPHMA-GQWLDOHISA-N 2 1 342.458 3.673 20 0 EHADMP C[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C1CC[NH2+]CC1 ZINC000430625376 1021267509 /nfs/dbraw/zinc/26/75/09/1021267509.db2.gz KBODFFKXFCBIRD-UHFFFAOYSA-N 2 1 332.394 3.941 20 0 EHADMP C[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C1CC[NH2+]CC1 ZINC000430625376 1021267518 /nfs/dbraw/zinc/26/75/18/1021267518.db2.gz KBODFFKXFCBIRD-UHFFFAOYSA-N 2 1 332.394 3.941 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167961312 1021289855 /nfs/dbraw/zinc/28/98/55/1021289855.db2.gz HWLZIRDCZCHLJQ-PHSGOXPASA-N 2 1 330.447 3.644 20 0 EHADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167961312 1021289858 /nfs/dbraw/zinc/28/98/58/1021289858.db2.gz HWLZIRDCZCHLJQ-PHSGOXPASA-N 2 1 330.447 3.644 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000684387817 1021528623 /nfs/dbraw/zinc/52/86/23/1021528623.db2.gz JNZQDLOVUZQNMT-ZIBCJSCZSA-N 2 1 330.516 3.834 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426418690 1021531781 /nfs/dbraw/zinc/53/17/81/1021531781.db2.gz HWCIGQZQHWHCPD-IAGOWNOFSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426418690 1021531791 /nfs/dbraw/zinc/53/17/91/1021531791.db2.gz HWCIGQZQHWHCPD-IAGOWNOFSA-N 2 1 348.531 3.822 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000187992072 1021553580 /nfs/dbraw/zinc/55/35/80/1021553580.db2.gz OXBKZDWMZAFWGE-BLLLJJGKSA-N 2 1 344.396 3.948 20 0 EHADMP Cc1[nH+]ccn1CCCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519716485 1021643701 /nfs/dbraw/zinc/64/37/01/1021643701.db2.gz SFTMNVPCXXZRRP-IBGZPJMESA-N 2 1 329.513 3.979 20 0 EHADMP Cc1[nH+]ccn1CCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519716485 1021643709 /nfs/dbraw/zinc/64/37/09/1021643709.db2.gz SFTMNVPCXXZRRP-IBGZPJMESA-N 2 1 329.513 3.979 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5cnccc54)C[C@@H]3C2)cc1 ZINC000684413133 1021671883 /nfs/dbraw/zinc/67/18/83/1021671883.db2.gz QKIGLEDKRALESC-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5cnccc54)C[C@@H]3C2)cc1 ZINC000684413133 1021671892 /nfs/dbraw/zinc/67/18/92/1021671892.db2.gz QKIGLEDKRALESC-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5cnccc54)C[C@@H]3C2)cc1 ZINC000684413133 1021671898 /nfs/dbraw/zinc/67/18/98/1021671898.db2.gz QKIGLEDKRALESC-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000516939586 1021874213 /nfs/dbraw/zinc/87/42/13/1021874213.db2.gz GTBMCFFHDCRZAZ-GOSISDBHSA-N 2 1 349.538 3.543 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168470 1021908227 /nfs/dbraw/zinc/90/82/27/1021908227.db2.gz DTCLWEUCSMVCML-NRFANRHFSA-N 2 1 344.499 3.560 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168470 1021908242 /nfs/dbraw/zinc/90/82/42/1021908242.db2.gz DTCLWEUCSMVCML-NRFANRHFSA-N 2 1 344.499 3.560 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168470 1021908250 /nfs/dbraw/zinc/90/82/50/1021908250.db2.gz DTCLWEUCSMVCML-NRFANRHFSA-N 2 1 344.499 3.560 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000519168470 1021908264 /nfs/dbraw/zinc/90/82/64/1021908264.db2.gz DTCLWEUCSMVCML-NRFANRHFSA-N 2 1 344.499 3.560 20 0 EHADMP Fc1ccc([C@@H]2C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167966175 1021989136 /nfs/dbraw/zinc/98/91/36/1021989136.db2.gz RAUFNHYHRMFVFN-HATKARHESA-N 2 1 332.438 3.816 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593691474 1033028658 /nfs/dbraw/zinc/02/86/58/1033028658.db2.gz QDLNSIVQSONPSC-MOPGFXCFSA-N 2 1 344.499 3.631 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnn2CC(C)C)cc1 ZINC000647190841 1022127151 /nfs/dbraw/zinc/12/71/51/1022127151.db2.gz RAZOMLGEASNTQW-MRXNPFEDSA-N 2 1 337.471 3.884 20 0 EHADMP CCC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCOCC1 ZINC000579251248 1022214619 /nfs/dbraw/zinc/21/46/19/1022214619.db2.gz DLUQGUQBHPRNFI-NHCUHLMSSA-N 2 1 342.527 3.647 20 0 EHADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441402300 1022217648 /nfs/dbraw/zinc/21/76/48/1022217648.db2.gz HGVHKMJWTIJGOP-AZUAARDMSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402300 1022217659 /nfs/dbraw/zinc/21/76/59/1022217659.db2.gz HGVHKMJWTIJGOP-AZUAARDMSA-N 2 1 328.500 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402300 1022217669 /nfs/dbraw/zinc/21/76/69/1022217669.db2.gz HGVHKMJWTIJGOP-AZUAARDMSA-N 2 1 328.500 3.631 20 0 EHADMP CCC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000894416461 1022239070 /nfs/dbraw/zinc/23/90/70/1022239070.db2.gz YQXUWCPPDYDHQP-UFYCRDLUSA-N 2 1 328.500 3.588 20 0 EHADMP CN(Cc1cccc(Oc2ccccn2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417062 1022242124 /nfs/dbraw/zinc/24/21/24/1022242124.db2.gz GXUIBCRPRZBSIK-DFNIBXOVSA-N 2 1 337.467 3.931 20 0 EHADMP C[N@H+](Cc1cccc(Oc2ccccn2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417062 1022242140 /nfs/dbraw/zinc/24/21/40/1022242140.db2.gz GXUIBCRPRZBSIK-DFNIBXOVSA-N 2 1 337.467 3.931 20 0 EHADMP C[NH+](Cc1cccc(Oc2ccccn2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417062 1022242223 /nfs/dbraw/zinc/24/22/23/1022242223.db2.gz GXUIBCRPRZBSIK-DFNIBXOVSA-N 2 1 337.467 3.931 20 0 EHADMP C[C@H]([NH2+]Cc1cccc2c1NCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894435013 1022280791 /nfs/dbraw/zinc/28/07/91/1022280791.db2.gz ZLNNGZOWEBEGPS-QFBILLFUSA-N 2 1 327.516 3.787 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647199547 1022317924 /nfs/dbraw/zinc/31/79/24/1022317924.db2.gz HDKMCWFMFLEJJP-SXLOBPIMSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647199547 1022317932 /nfs/dbraw/zinc/31/79/32/1022317932.db2.gz HDKMCWFMFLEJJP-SXLOBPIMSA-N 2 1 328.500 3.731 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199729 1022319591 /nfs/dbraw/zinc/31/95/91/1022319591.db2.gz OECLSCCCTBJPPC-UYAOXDASSA-N 2 1 340.515 3.539 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199729 1022319609 /nfs/dbraw/zinc/31/96/09/1022319609.db2.gz OECLSCCCTBJPPC-UYAOXDASSA-N 2 1 340.515 3.539 20 0 EHADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602659496 1033056147 /nfs/dbraw/zinc/05/61/47/1033056147.db2.gz OUJLNMXDRVSJAP-AZUAARDMSA-N 2 1 344.499 3.678 20 0 EHADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602659496 1033056158 /nfs/dbraw/zinc/05/61/58/1033056158.db2.gz OUJLNMXDRVSJAP-AZUAARDMSA-N 2 1 344.499 3.678 20 0 EHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000430741491 1022643406 /nfs/dbraw/zinc/64/34/06/1022643406.db2.gz JDEAQIVMMANEDC-KJNZLNQQSA-N 2 1 330.516 3.558 20 0 EHADMP CC1(C)C[C@H](C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CCO1 ZINC001167981983 1022787676 /nfs/dbraw/zinc/78/76/76/1022787676.db2.gz RQUGOTFWOMYIEK-MVCQKVDPSA-N 2 1 332.532 3.719 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1[NH3+] ZINC000430946151 1022926208 /nfs/dbraw/zinc/92/62/08/1022926208.db2.gz ZORSUDJGKRKTDB-MGPUTAFESA-N 2 1 328.431 3.574 20 0 EHADMP COCc1csc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000668084826 1022973181 /nfs/dbraw/zinc/97/31/81/1022973181.db2.gz XQFBCEXQTMNPIF-UHFFFAOYSA-N 2 1 345.512 3.807 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414950668 1022988391 /nfs/dbraw/zinc/98/83/91/1022988391.db2.gz PCMVMWSUBZHQSI-WMZOPIPTSA-N 2 1 340.515 3.708 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC1CC[NH+](C)CC1 ZINC000891844882 1023039307 /nfs/dbraw/zinc/03/93/07/1023039307.db2.gz IPOWBJOJLXBMMN-UHFFFAOYSA-N 2 1 327.472 3.548 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000518183381 1023110833 /nfs/dbraw/zinc/11/08/33/1023110833.db2.gz DOFANFJHBLSECS-FQEVSTJZSA-N 2 1 342.527 3.980 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000518183381 1023110838 /nfs/dbraw/zinc/11/08/38/1023110838.db2.gz DOFANFJHBLSECS-FQEVSTJZSA-N 2 1 342.527 3.980 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000518265150 1023175220 /nfs/dbraw/zinc/17/52/20/1023175220.db2.gz SKYQYWLVAPCUBW-UAGQMJEPSA-N 2 1 328.422 3.728 20 0 EHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000414972109 1023177397 /nfs/dbraw/zinc/17/73/97/1023177397.db2.gz LZNFQRUIJKLCMU-CYBMUJFWSA-N 2 1 331.685 3.580 20 0 EHADMP CCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC[NH2+]CC1 ZINC000431087543 1023239487 /nfs/dbraw/zinc/23/94/87/1023239487.db2.gz QORRTTMAPTYWAP-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000506478132 1023250202 /nfs/dbraw/zinc/25/02/02/1023250202.db2.gz FFCQGDDQBVJYCU-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478132 1023250211 /nfs/dbraw/zinc/25/02/11/1023250211.db2.gz FFCQGDDQBVJYCU-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(F)c2)C1 ZINC000506478132 1023250221 /nfs/dbraw/zinc/25/02/21/1023250221.db2.gz FFCQGDDQBVJYCU-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000506478132 1023250233 /nfs/dbraw/zinc/25/02/33/1023250233.db2.gz FFCQGDDQBVJYCU-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000506478132 1023250242 /nfs/dbraw/zinc/25/02/42/1023250242.db2.gz FFCQGDDQBVJYCU-ZWKOTPCHSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449738433 1033139284 /nfs/dbraw/zinc/13/92/84/1033139284.db2.gz BTQNCSNPARXPBY-AZUAARDMSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449738433 1033139295 /nfs/dbraw/zinc/13/92/95/1033139295.db2.gz BTQNCSNPARXPBY-AZUAARDMSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000535811341 1023651506 /nfs/dbraw/zinc/65/15/06/1023651506.db2.gz HXMQPDFVQNYSHR-KRWDZBQOSA-N 2 1 337.533 3.547 20 0 EHADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449760752 1033153579 /nfs/dbraw/zinc/15/35/79/1033153579.db2.gz RCFUAXAIRNBTHJ-OYNPSCLESA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897773088 1033160912 /nfs/dbraw/zinc/16/09/12/1033160912.db2.gz FXSONWRKDMFMCS-LNDHIKNLSA-N 2 1 340.511 3.902 20 0 EHADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897773088 1033160921 /nfs/dbraw/zinc/16/09/21/1033160921.db2.gz FXSONWRKDMFMCS-LNDHIKNLSA-N 2 1 340.511 3.902 20 0 EHADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451647 1033173448 /nfs/dbraw/zinc/17/34/48/1033173448.db2.gz GFUOIHUOKKOBQC-HXUWFJFHSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451647 1033173457 /nfs/dbraw/zinc/17/34/57/1033173457.db2.gz GFUOIHUOKKOBQC-HXUWFJFHSA-N 2 1 330.516 3.836 20 0 EHADMP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000351199018 1023958514 /nfs/dbraw/zinc/95/85/14/1023958514.db2.gz GZYCBEKJJZUPRR-KDOFPFPSSA-N 2 1 335.879 3.991 20 0 EHADMP CC1CC[NH+](CC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000474058899 1023960837 /nfs/dbraw/zinc/96/08/37/1023960837.db2.gz PLCDMQYVSDVTNE-GOSISDBHSA-N 2 1 343.515 3.731 20 0 EHADMP CCCCCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071652 1024100326 /nfs/dbraw/zinc/10/03/26/1024100326.db2.gz NHAWFUYVDHZMCT-UHFFFAOYSA-N 2 1 346.515 3.552 20 0 EHADMP CCCCCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071652 1024100336 /nfs/dbraw/zinc/10/03/36/1024100336.db2.gz NHAWFUYVDHZMCT-UHFFFAOYSA-N 2 1 346.515 3.552 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342113975 1024101130 /nfs/dbraw/zinc/10/11/30/1024101130.db2.gz WMTFVADNHUKECF-KBRIMQKVSA-N 2 1 331.460 3.508 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342113975 1024101136 /nfs/dbraw/zinc/10/11/36/1024101136.db2.gz WMTFVADNHUKECF-KBRIMQKVSA-N 2 1 331.460 3.508 20 0 EHADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003207 1024103928 /nfs/dbraw/zinc/10/39/28/1024103928.db2.gz KAFQHXLGHBRZTI-HTUJPFKRSA-N 2 1 348.531 3.588 20 0 EHADMP CC(C)(C)OC(=O)C[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003207 1024103934 /nfs/dbraw/zinc/10/39/34/1024103934.db2.gz KAFQHXLGHBRZTI-HTUJPFKRSA-N 2 1 348.531 3.588 20 0 EHADMP CC(C)(C)OC(=O)C[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003207 1024103944 /nfs/dbraw/zinc/10/39/44/1024103944.db2.gz KAFQHXLGHBRZTI-HTUJPFKRSA-N 2 1 348.531 3.588 20 0 EHADMP Cc1ccc(N2CCC([NH2+]CCc3ccc(F)cc3Cl)CC2)[nH+]c1 ZINC000428282092 1024111558 /nfs/dbraw/zinc/11/15/58/1024111558.db2.gz VLMJKEUNFCTVFK-UHFFFAOYSA-N 2 1 347.865 3.984 20 0 EHADMP COc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC(C)C ZINC000237186919 1024125079 /nfs/dbraw/zinc/12/50/79/1024125079.db2.gz NUXHSGJKEJPTLW-UHFFFAOYSA-N 2 1 334.504 3.881 20 0 EHADMP CC(C)C[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648072295 1024129905 /nfs/dbraw/zinc/12/99/05/1024129905.db2.gz WKSKUROQJLIYQR-HXUWFJFHSA-N 2 1 330.516 3.613 20 0 EHADMP CCOC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000474096548 1024153264 /nfs/dbraw/zinc/15/32/64/1024153264.db2.gz NALNCTSBWBKPEH-BQJUDKOJSA-N 2 1 330.516 3.548 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443616140 1024239230 /nfs/dbraw/zinc/23/92/30/1024239230.db2.gz LSNNHCYLUJGOOC-HNAYVOBHSA-N 2 1 336.907 3.760 20 0 EHADMP CCc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)on1 ZINC001203218517 1024245770 /nfs/dbraw/zinc/24/57/70/1024245770.db2.gz LYHCMFUYLPGUBN-IBGZPJMESA-N 2 1 343.471 3.707 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000191488416 1024339741 /nfs/dbraw/zinc/33/97/41/1024339741.db2.gz XRDUQOVPSRJIMT-UHFFFAOYSA-N 2 1 330.407 3.638 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000191488416 1024339757 /nfs/dbraw/zinc/33/97/57/1024339757.db2.gz XRDUQOVPSRJIMT-UHFFFAOYSA-N 2 1 330.407 3.638 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(O)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472035869 1024425849 /nfs/dbraw/zinc/42/58/49/1024425849.db2.gz BCLXOXVCDAUFGI-FUHWJXTLSA-N 2 1 342.458 3.922 20 0 EHADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1C ZINC000414854529 1024439872 /nfs/dbraw/zinc/43/98/72/1024439872.db2.gz VDENIPADOVJKIV-HNAYVOBHSA-N 2 1 331.504 3.518 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000346182541 1024497241 /nfs/dbraw/zinc/49/72/41/1024497241.db2.gz VBCDUXWLUMVFRY-VQIMIIECSA-N 2 1 332.451 3.954 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC000434991306 1024544877 /nfs/dbraw/zinc/54/48/77/1024544877.db2.gz MEXHQSXKSGDDOX-QFIPXVFZSA-N 2 1 335.495 3.776 20 0 EHADMP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168029644 1024552359 /nfs/dbraw/zinc/55/23/59/1024552359.db2.gz UGZPWPBXLZLXSQ-RMEPHLEKSA-N 3 1 343.559 3.890 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000114475698 1024588923 /nfs/dbraw/zinc/58/89/23/1024588923.db2.gz JFCVLJDRBFBABI-UHFFFAOYSA-N 2 1 341.499 3.795 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000114475698 1024588930 /nfs/dbraw/zinc/58/89/30/1024588930.db2.gz JFCVLJDRBFBABI-UHFFFAOYSA-N 2 1 341.499 3.795 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000665232748 1024689732 /nfs/dbraw/zinc/68/97/32/1024689732.db2.gz SQYSQYLYOICZGB-KSEOMHKRSA-N 2 1 335.495 3.659 20 0 EHADMP Cc1nccn1CCC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000342279049 1024700666 /nfs/dbraw/zinc/70/06/66/1024700666.db2.gz JDSBQWLMTPPPJI-UHFFFAOYSA-N 2 1 348.288 3.711 20 0 EHADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)CCC3)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435388323 1024872940 /nfs/dbraw/zinc/87/29/40/1024872940.db2.gz FEEMFXDLZUTNII-JOCHJYFZSA-N 2 1 335.495 3.715 20 0 EHADMP c1ccc(C[N@H+](Cc2ccc3c(c2)CCC3)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435388323 1024872959 /nfs/dbraw/zinc/87/29/59/1024872959.db2.gz FEEMFXDLZUTNII-JOCHJYFZSA-N 2 1 335.495 3.715 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435389577 1024874833 /nfs/dbraw/zinc/87/48/33/1024874833.db2.gz LTBCBRUSQRUVNS-OAHLLOKOSA-N 2 1 340.895 3.711 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435433566 1024903199 /nfs/dbraw/zinc/90/31/99/1024903199.db2.gz SPGFINCRTIMEPK-SFHVURJKSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1nc(-c2cccc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)c2)[nH]c1C ZINC000895854714 1024913967 /nfs/dbraw/zinc/91/39/67/1024913967.db2.gz OBYNVTOEJJYEMO-INIZCTEOSA-N 2 1 326.444 3.505 20 0 EHADMP Cc1nc(-c2cccc(NC(=O)[C@@H]3CCN3C(C)(C)C)c2)[nH]c1C ZINC000895854714 1024913980 /nfs/dbraw/zinc/91/39/80/1024913980.db2.gz OBYNVTOEJJYEMO-INIZCTEOSA-N 2 1 326.444 3.505 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H](C)Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435438430 1024926526 /nfs/dbraw/zinc/92/65/26/1024926526.db2.gz PUQVGHUFYOKSHC-APWZRJJASA-N 2 1 343.540 3.742 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N[C@@H](CC[NH+](C)C)c2cccnc2)[nH+]1 ZINC000895892005 1024948441 /nfs/dbraw/zinc/94/84/41/1024948441.db2.gz VKHGUGMIJRWCEC-HNNXBMFYSA-N 2 1 338.377 3.909 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000157625173 1024972385 /nfs/dbraw/zinc/97/23/85/1024972385.db2.gz PUZMJAFUAWIOCW-UWJYYQICSA-N 2 1 340.515 3.893 20 0 EHADMP OC[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060108 1024993605 /nfs/dbraw/zinc/99/36/05/1024993605.db2.gz VQYKEAUASDRGQH-SFTDATJTSA-N 2 1 342.527 3.714 20 0 EHADMP OC[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060108 1024993614 /nfs/dbraw/zinc/99/36/14/1024993614.db2.gz VQYKEAUASDRGQH-SFTDATJTSA-N 2 1 342.527 3.714 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000892145555 1024998988 /nfs/dbraw/zinc/99/89/88/1024998988.db2.gz JWUHVVGHLYQBAE-ZDUSSCGKSA-N 2 1 347.450 3.683 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000277412780 1025014748 /nfs/dbraw/zinc/01/47/48/1025014748.db2.gz IMJVMHWFYAGNKN-QGZVFWFLSA-N 2 1 332.879 3.646 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000277412780 1025014758 /nfs/dbraw/zinc/01/47/58/1025014758.db2.gz IMJVMHWFYAGNKN-QGZVFWFLSA-N 2 1 332.879 3.646 20 0 EHADMP COc1ccccc1C[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000120073775 1033251655 /nfs/dbraw/zinc/25/16/55/1033251655.db2.gz SDZBKJDHLAMFNO-LJQANCHMSA-N 2 1 327.472 3.687 20 0 EHADMP COc1ccccc1C[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000120073775 1033251665 /nfs/dbraw/zinc/25/16/65/1033251665.db2.gz SDZBKJDHLAMFNO-LJQANCHMSA-N 2 1 327.472 3.687 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000190946267 1025116475 /nfs/dbraw/zinc/11/64/75/1025116475.db2.gz VZNHNFVUUIQTDF-LBPRGKRZSA-N 2 1 325.378 3.945 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](CC(Cc3ccccc3)Cc3ccccc3)C[C@@H]2C1 ZINC000515259284 1025124270 /nfs/dbraw/zinc/12/42/70/1025124270.db2.gz ATGHFKQVBNTXRN-ZRZAMGCNSA-N 2 1 334.507 3.581 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)C[C@@H]2C1 ZINC000515259284 1025124276 /nfs/dbraw/zinc/12/42/76/1025124276.db2.gz ATGHFKQVBNTXRN-ZRZAMGCNSA-N 2 1 334.507 3.581 20 0 EHADMP C[NH+]1C[C@@H]2C[N@H+](CC(Cc3ccccc3)Cc3ccccc3)C[C@@H]2C1 ZINC000515259284 1025124282 /nfs/dbraw/zinc/12/42/82/1025124282.db2.gz ATGHFKQVBNTXRN-ZRZAMGCNSA-N 2 1 334.507 3.581 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036907 1025132829 /nfs/dbraw/zinc/13/28/29/1025132829.db2.gz XUUQCDLMHIQPSK-IYPWXATDSA-N 3 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168036907 1025132837 /nfs/dbraw/zinc/13/28/37/1025132837.db2.gz XUUQCDLMHIQPSK-IYPWXATDSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000157880585 1025186708 /nfs/dbraw/zinc/18/67/08/1025186708.db2.gz KFOYVBFJUPRBHR-SAHWJRBASA-N 2 1 336.545 3.729 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000474608321 1025206529 /nfs/dbraw/zinc/20/65/29/1025206529.db2.gz UWWPDMKEDZCDEK-KTLDDFEXSA-N 2 1 338.536 3.599 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000892186224 1025278056 /nfs/dbraw/zinc/27/80/56/1025278056.db2.gz RHGIICULZKTDHV-QGZVFWFLSA-N 2 1 330.520 3.695 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000892186224 1025278067 /nfs/dbraw/zinc/27/80/67/1025278067.db2.gz RHGIICULZKTDHV-QGZVFWFLSA-N 2 1 330.520 3.695 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267930 1025307004 /nfs/dbraw/zinc/30/70/04/1025307004.db2.gz NSJONCCSTBLENS-FSSWDIPSSA-N 2 1 338.495 3.669 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267930 1025307013 /nfs/dbraw/zinc/30/70/13/1025307013.db2.gz NSJONCCSTBLENS-FSSWDIPSSA-N 2 1 338.495 3.669 20 0 EHADMP CC(C)O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000428252154 1025334939 /nfs/dbraw/zinc/33/49/39/1025334939.db2.gz FNXVWPISIFCXCC-FPOVZHCZSA-N 2 1 330.516 3.961 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041296 1025400406 /nfs/dbraw/zinc/40/04/06/1025400406.db2.gz RUJNQWYARNFVGF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C)[C@@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041296 1025400413 /nfs/dbraw/zinc/40/04/13/1025400413.db2.gz RUJNQWYARNFVGF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041296 1025400420 /nfs/dbraw/zinc/40/04/20/1025400420.db2.gz RUJNQWYARNFVGF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041296 1025400431 /nfs/dbraw/zinc/40/04/31/1025400431.db2.gz RUJNQWYARNFVGF-IAVZTARUSA-N 2 1 330.516 3.521 20 0 EHADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515648214 1025449925 /nfs/dbraw/zinc/44/99/25/1025449925.db2.gz LFKOJEJHYXWTIV-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515648214 1025449936 /nfs/dbraw/zinc/44/99/36/1025449936.db2.gz LFKOJEJHYXWTIV-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442788846 1025484891 /nfs/dbraw/zinc/48/48/91/1025484891.db2.gz JDKBKRGNEDQBPD-PBWFPOADSA-N 2 1 329.271 3.587 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436268666 1025506830 /nfs/dbraw/zinc/50/68/30/1025506830.db2.gz HUQIAHXJAGDMSG-HNNXBMFYSA-N 2 1 332.517 3.882 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(F)c(Br)cc1F ZINC000530219168 1025512622 /nfs/dbraw/zinc/51/26/22/1025512622.db2.gz ZJTFNHKIRMXCSD-IVZWLZJFSA-N 2 1 333.220 3.648 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000436279268 1025525524 /nfs/dbraw/zinc/52/55/24/1025525524.db2.gz IVUXETABOHLHNO-UHFFFAOYSA-N 2 1 340.496 3.750 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442861137 1025532576 /nfs/dbraw/zinc/53/25/76/1025532576.db2.gz MJPSYWOHEDOFGH-OALUTQOASA-N 2 1 345.490 3.747 20 0 EHADMP Clc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Cl ZINC000530242894 1025532939 /nfs/dbraw/zinc/53/29/39/1025532939.db2.gz VROUDWGZSZXDRY-HNNXBMFYSA-N 2 1 343.298 3.584 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1C(C)(C)C ZINC000442881426 1025562419 /nfs/dbraw/zinc/56/24/19/1025562419.db2.gz ZJTJRVVTAXTEIC-QGZVFWFLSA-N 2 1 331.548 3.661 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1C(C)(C)C ZINC000442881423 1025563788 /nfs/dbraw/zinc/56/37/88/1025563788.db2.gz ZJTJRVVTAXTEIC-KRWDZBQOSA-N 2 1 331.548 3.661 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000442918124 1025582899 /nfs/dbraw/zinc/58/28/99/1025582899.db2.gz CBGWKIRLTPWYLI-ZIAGYGMSSA-N 2 1 325.294 3.613 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000281889809 1025638242 /nfs/dbraw/zinc/63/82/42/1025638242.db2.gz AUGPJRYROSRNJJ-LJQANCHMSA-N 2 1 339.483 3.745 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347194499 1025660043 /nfs/dbraw/zinc/66/00/43/1025660043.db2.gz GYSXYNHPZHRNDA-SJLPKXTDSA-N 2 1 342.458 3.964 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000657374114 1025668870 /nfs/dbraw/zinc/66/88/70/1025668870.db2.gz FAUZPDRSQGAULA-RBUKOAKNSA-N 2 1 328.456 3.569 20 0 EHADMP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CO1 ZINC000657374113 1025668892 /nfs/dbraw/zinc/66/88/92/1025668892.db2.gz FAUZPDRSQGAULA-OALUTQOASA-N 2 1 328.456 3.569 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000443056832 1025693650 /nfs/dbraw/zinc/69/36/50/1025693650.db2.gz DITKEYMUODZMAK-HNNXBMFYSA-N 2 1 344.421 3.925 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000474880683 1025734439 /nfs/dbraw/zinc/73/44/39/1025734439.db2.gz PMWLIUOAURQVGL-IBGZPJMESA-N 2 1 340.515 3.638 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000474880683 1025734453 /nfs/dbraw/zinc/73/44/53/1025734453.db2.gz PMWLIUOAURQVGL-IBGZPJMESA-N 2 1 340.515 3.638 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000530394393 1025746487 /nfs/dbraw/zinc/74/64/87/1025746487.db2.gz GCJQDOWYFSZVSM-GOSISDBHSA-N 2 1 349.950 3.503 20 0 EHADMP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000281955074 1025778362 /nfs/dbraw/zinc/77/83/62/1025778362.db2.gz ARUBBJMMOQRLSO-GHTZIAJQSA-N 2 1 330.516 3.754 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000530407368 1025778547 /nfs/dbraw/zinc/77/85/47/1025778547.db2.gz VAZOMXSUPARCHR-MRXNPFEDSA-N 2 1 338.480 3.753 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(C)C ZINC000582300948 1025795728 /nfs/dbraw/zinc/79/57/28/1025795728.db2.gz LJOLCIRARWLNHF-AABGKKOBSA-N 2 1 330.516 3.569 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(C)C ZINC000582300948 1025795742 /nfs/dbraw/zinc/79/57/42/1025795742.db2.gz LJOLCIRARWLNHF-AABGKKOBSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530460107 1025872836 /nfs/dbraw/zinc/87/28/36/1025872836.db2.gz AYZBOAUGOBWANB-CYBMUJFWSA-N 2 1 325.378 3.592 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000121833353 1025902163 /nfs/dbraw/zinc/90/21/63/1025902163.db2.gz MZAVYIOCPVCMGK-FUHWJXTLSA-N 2 1 326.488 3.563 20 0 EHADMP CN(CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000444269701 1025989989 /nfs/dbraw/zinc/98/99/89/1025989989.db2.gz LVUDPBQZUSHFIH-NRFANRHFSA-N 2 1 337.511 3.577 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000158668917 1026234378 /nfs/dbraw/zinc/23/43/78/1026234378.db2.gz XYRVCGUBTZJLTL-KRWDZBQOSA-N 2 1 327.472 3.653 20 0 EHADMP C[C@@H]1CC(N2CC[C@@H]([N@@H+](C)C3CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059646 1026385073 /nfs/dbraw/zinc/38/50/73/1026385073.db2.gz UXANWRXUTOWGJS-DBXWQHBBSA-N 2 1 341.543 3.597 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CCC(F)CC3)CC2)cc1 ZINC000647252761 1026430963 /nfs/dbraw/zinc/43/09/63/1026430963.db2.gz STULYKGCGOIMDH-UHFFFAOYSA-N 2 1 336.470 3.951 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032478 1026459878 /nfs/dbraw/zinc/45/98/78/1026459878.db2.gz QDLPZKASJYWWHX-IRLDBZIGSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032478 1026459884 /nfs/dbraw/zinc/45/98/84/1026459884.db2.gz QDLPZKASJYWWHX-IRLDBZIGSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032478 1026459888 /nfs/dbraw/zinc/45/98/88/1026459888.db2.gz QDLPZKASJYWWHX-IRLDBZIGSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCc4ccccn4)CC[C@@H]32)cc1 ZINC000159032478 1026459893 /nfs/dbraw/zinc/45/98/93/1026459893.db2.gz QDLPZKASJYWWHX-IRLDBZIGSA-N 2 1 335.495 3.611 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)ncn4C)C2)CC1 ZINC000342617773 1026470669 /nfs/dbraw/zinc/47/06/69/1026470669.db2.gz PSOOADZJWOIFKD-IBGZPJMESA-N 2 1 340.515 3.517 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)ncn4C)C2)CC1 ZINC000342617773 1026470677 /nfs/dbraw/zinc/47/06/77/1026470677.db2.gz PSOOADZJWOIFKD-IBGZPJMESA-N 2 1 340.515 3.517 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(C2)CCCOC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062143 1026519089 /nfs/dbraw/zinc/51/90/89/1026519089.db2.gz JCNFAALIKSXLEM-MXNKGDRCSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062143 1026519090 /nfs/dbraw/zinc/51/90/90/1026519090.db2.gz JCNFAALIKSXLEM-MXNKGDRCSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCOC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062143 1026519097 /nfs/dbraw/zinc/51/90/97/1026519097.db2.gz JCNFAALIKSXLEM-MXNKGDRCSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[NH+](C(C)(C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065178 1026638386 /nfs/dbraw/zinc/63/83/86/1026638386.db2.gz UMABIMBPXKSJPR-CEQLMSFQSA-N 2 1 343.559 3.844 20 0 EHADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000301167114 1026709040 /nfs/dbraw/zinc/70/90/40/1026709040.db2.gz VHMGAYQRLRVXJA-CQSZACIVSA-N 2 1 346.272 3.672 20 0 EHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000563427543 1026890590 /nfs/dbraw/zinc/89/05/90/1026890590.db2.gz NRRCIKHQLCGRAB-CYBMUJFWSA-N 2 1 325.378 3.592 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000531416710 1026911098 /nfs/dbraw/zinc/91/10/98/1026911098.db2.gz CCHUVAMTLLQLIX-CEXWTWQISA-N 2 1 330.516 3.959 20 0 EHADMP C[N@H+](CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000342740298 1026911809 /nfs/dbraw/zinc/91/18/09/1026911809.db2.gz KHUPQXBNZANIDA-HXUWFJFHSA-N 2 1 327.447 3.784 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000342740298 1026911813 /nfs/dbraw/zinc/91/18/13/1026911813.db2.gz KHUPQXBNZANIDA-HXUWFJFHSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCCNc2ncnc3c2cnn3C(C)(C)C)C1 ZINC000301880864 1026976495 /nfs/dbraw/zinc/97/64/95/1026976495.db2.gz KAKPGBXANQACIT-OAHLLOKOSA-N 2 1 344.507 3.505 20 0 EHADMP Cc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000302226962 1027098249 /nfs/dbraw/zinc/09/82/49/1027098249.db2.gz UCCDCCWBSQHUHN-CALCHBBNSA-N 2 1 325.456 3.611 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141227 1027163030 /nfs/dbraw/zinc/16/30/30/1027163030.db2.gz IGWJJYCTLSCMRL-HLAWJBBLSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141227 1027163045 /nfs/dbraw/zinc/16/30/45/1027163045.db2.gz IGWJJYCTLSCMRL-HLAWJBBLSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001168141227 1027163051 /nfs/dbraw/zinc/16/30/51/1027163051.db2.gz IGWJJYCTLSCMRL-HLAWJBBLSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000273197956 1027308705 /nfs/dbraw/zinc/30/87/05/1027308705.db2.gz QYQZQIKNYXKPQX-PXCRPINLSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000273197956 1027308727 /nfs/dbraw/zinc/30/87/27/1027308727.db2.gz QYQZQIKNYXKPQX-PXCRPINLSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)C1 ZINC000273232964 1027325789 /nfs/dbraw/zinc/32/57/89/1027325789.db2.gz RXFDSCVRGUVNTO-QGZVFWFLSA-N 2 1 343.515 3.589 20 0 EHADMP c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453091160 1027351438 /nfs/dbraw/zinc/35/14/38/1027351438.db2.gz QQZNTJDHNBLPFP-QYZOEREBSA-N 2 1 341.524 3.718 20 0 EHADMP c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cs1 ZINC000453134521 1027438696 /nfs/dbraw/zinc/43/86/96/1027438696.db2.gz GBVGBTXPIPZSBI-UFYCRDLUSA-N 2 1 341.524 3.718 20 0 EHADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1cccc(O)c1 ZINC000420299131 1027449582 /nfs/dbraw/zinc/44/95/82/1027449582.db2.gz GJDHLMTXQYPPIV-QAPCUYQASA-N 2 1 328.456 3.526 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCC(F)(F)C1 ZINC000420312663 1027461264 /nfs/dbraw/zinc/46/12/64/1027461264.db2.gz ORDJTKSSSGGUSQ-CABCVRRESA-N 2 1 343.487 3.689 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCC(F)(F)C1 ZINC000420312667 1027461401 /nfs/dbraw/zinc/46/14/01/1027461401.db2.gz ORDJTKSSSGGUSQ-LSDHHAIUSA-N 2 1 343.487 3.689 20 0 EHADMP Clc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420340000 1027472375 /nfs/dbraw/zinc/47/23/75/1027472375.db2.gz MIOJDACNTUWHCU-HOTGVXAUSA-N 2 1 345.874 3.817 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420409975 1027528169 /nfs/dbraw/zinc/52/81/69/1027528169.db2.gz XUAQHXFHCYARRX-YLJYHZDGSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420409975 1027528183 /nfs/dbraw/zinc/52/81/83/1027528183.db2.gz XUAQHXFHCYARRX-YLJYHZDGSA-N 2 1 325.456 3.614 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000501806070 1027536030 /nfs/dbraw/zinc/53/60/30/1027536030.db2.gz QIKJHKUGDCWSPH-QGZVFWFLSA-N 2 1 336.495 3.957 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595820 1027571826 /nfs/dbraw/zinc/57/18/26/1027571826.db2.gz KMYIRHUVFQZBQW-FOIQADDNSA-N 2 1 344.886 3.757 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735590 1027691875 /nfs/dbraw/zinc/69/18/75/1027691875.db2.gz ZABSXCBRQDGZJA-UHFFFAOYSA-N 2 1 327.497 3.776 20 0 EHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414654388 1027716843 /nfs/dbraw/zinc/71/68/43/1027716843.db2.gz JDEFSHGAXQDGOH-INIZCTEOSA-N 2 1 330.859 3.700 20 0 EHADMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000414657559 1027726048 /nfs/dbraw/zinc/72/60/48/1027726048.db2.gz KMUUEAMPJSYWDD-OSSDRBRWSA-N 2 1 336.479 3.948 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338806 1027729010 /nfs/dbraw/zinc/72/90/10/1027729010.db2.gz GVUIYJDZXCKLPS-APWZRJJASA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@@H](N(C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338806 1027729025 /nfs/dbraw/zinc/72/90/25/1027729025.db2.gz GVUIYJDZXCKLPS-APWZRJJASA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338806 1027729046 /nfs/dbraw/zinc/72/90/46/1027729046.db2.gz GVUIYJDZXCKLPS-APWZRJJASA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338806 1027729064 /nfs/dbraw/zinc/72/90/64/1027729064.db2.gz GVUIYJDZXCKLPS-APWZRJJASA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338806 1027729084 /nfs/dbraw/zinc/72/90/84/1027729084.db2.gz GVUIYJDZXCKLPS-APWZRJJASA-N 2 1 346.906 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338806 1027729102 /nfs/dbraw/zinc/72/91/02/1027729102.db2.gz GVUIYJDZXCKLPS-APWZRJJASA-N 2 1 346.906 3.521 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414662119 1027742762 /nfs/dbraw/zinc/74/27/62/1027742762.db2.gz YOOYEIUMTVULGX-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414662119 1027742781 /nfs/dbraw/zinc/74/27/81/1027742781.db2.gz YOOYEIUMTVULGX-IBGZPJMESA-N 2 1 342.458 3.836 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000533395664 1027803308 /nfs/dbraw/zinc/80/33/08/1027803308.db2.gz RFMFDTAEMHUJHL-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000414676011 1027822010 /nfs/dbraw/zinc/82/20/10/1027822010.db2.gz MRRRFIUEAYVIJL-HIFRSBDPSA-N 2 1 342.430 3.507 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]3C3CC3)sc2C1 ZINC000414479316 1027881596 /nfs/dbraw/zinc/88/15/96/1027881596.db2.gz HHVAPBPGDGHLPM-HOTGVXAUSA-N 2 1 333.545 3.826 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]3C3CC3)sc2C1 ZINC000414479316 1027881619 /nfs/dbraw/zinc/88/16/19/1027881619.db2.gz HHVAPBPGDGHLPM-HOTGVXAUSA-N 2 1 333.545 3.826 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC1CCCC1 ZINC000339070181 1027899267 /nfs/dbraw/zinc/89/92/67/1027899267.db2.gz XLGDGCZQHGIUBG-MSOLQXFVSA-N 2 1 344.499 3.733 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC1CCCC1 ZINC000339070181 1027899287 /nfs/dbraw/zinc/89/92/87/1027899287.db2.gz XLGDGCZQHGIUBG-MSOLQXFVSA-N 2 1 344.499 3.733 20 0 EHADMP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CC1)c1c[nH+]ccc1N ZINC000422749251 1027916802 /nfs/dbraw/zinc/91/68/02/1027916802.db2.gz YEXZOUGBQUWWTL-LBPRGKRZSA-N 2 1 346.272 3.639 20 0 EHADMP CC(C)(C)OC(=O)Nc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc[nH+]1 ZINC001167625040 1027923865 /nfs/dbraw/zinc/92/38/65/1027923865.db2.gz KPKPKSZHMAXFKZ-UHFFFAOYSA-N 2 1 348.491 3.913 20 0 EHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984120 1027943084 /nfs/dbraw/zinc/94/30/84/1027943084.db2.gz SKTGJYAKZXUKJF-NRFANRHFSA-N 2 1 347.522 3.769 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000420985193 1027943797 /nfs/dbraw/zinc/94/37/97/1027943797.db2.gz VUHKYQRGBHAURF-JOCHJYFZSA-N 2 1 341.543 3.556 20 0 EHADMP C[C@H]([NH2+]C1(C[NH2+]C2CCC(C[NH3+])CC2)CCCC1)c1ccccc1 ZINC000422764915 1027946833 /nfs/dbraw/zinc/94/68/33/1027946833.db2.gz OUSNZTBJWLFNLA-ZJRDLVKKSA-N 3 1 329.532 3.757 20 0 EHADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422801233 1027951771 /nfs/dbraw/zinc/95/17/71/1027951771.db2.gz BLNBAQKDWDNYKN-YPAWHYETSA-N 2 1 341.543 3.683 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1 ZINC001167626117 1027974106 /nfs/dbraw/zinc/97/41/06/1027974106.db2.gz ZHZRSSHVAMNCIH-INIZCTEOSA-N 2 1 344.547 3.941 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839612 1027980405 /nfs/dbraw/zinc/98/04/05/1027980405.db2.gz QVNKNLZSRNDOCU-QYZOEREBSA-N 2 1 349.588 3.861 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422839612 1027980415 /nfs/dbraw/zinc/98/04/15/1027980415.db2.gz QVNKNLZSRNDOCU-QYZOEREBSA-N 2 1 349.588 3.861 20 0 EHADMP C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH+]ccc1N ZINC000422839658 1027981895 /nfs/dbraw/zinc/98/18/95/1027981895.db2.gz ABLIHTLBNRXRPP-AUUYWEPGSA-N 2 1 344.890 3.635 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000422856811 1027994769 /nfs/dbraw/zinc/99/47/69/1027994769.db2.gz GPZVELYEDAFTFV-INIZCTEOSA-N 3 1 340.515 3.540 20 0 EHADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422883543 1028019958 /nfs/dbraw/zinc/01/99/58/1028019958.db2.gz QSAOQVPSSFRYKQ-DLBZAZTESA-N 2 1 338.499 3.719 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422911946 1028044755 /nfs/dbraw/zinc/04/47/55/1028044755.db2.gz LTZGGCPKIRHCLB-QHAWAJNXSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422911946 1028044778 /nfs/dbraw/zinc/04/47/78/1028044778.db2.gz LTZGGCPKIRHCLB-QHAWAJNXSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422911946 1028044801 /nfs/dbraw/zinc/04/48/01/1028044801.db2.gz LTZGGCPKIRHCLB-QHAWAJNXSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422915200 1028050426 /nfs/dbraw/zinc/05/04/26/1028050426.db2.gz XOGYKEFLDSGDKP-XMSQKQJNSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422915200 1028050444 /nfs/dbraw/zinc/05/04/44/1028050444.db2.gz XOGYKEFLDSGDKP-XMSQKQJNSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422915200 1028050461 /nfs/dbraw/zinc/05/04/61/1028050461.db2.gz XOGYKEFLDSGDKP-XMSQKQJNSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422915200 1028050475 /nfs/dbraw/zinc/05/04/75/1028050475.db2.gz XOGYKEFLDSGDKP-XMSQKQJNSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422915200 1028050492 /nfs/dbraw/zinc/05/04/92/1028050492.db2.gz XOGYKEFLDSGDKP-XMSQKQJNSA-N 2 1 339.527 3.575 20 0 EHADMP FC(F)Oc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422938962 1028068210 /nfs/dbraw/zinc/06/82/10/1028068210.db2.gz FGYQVEOZTLAODE-FUHWJXTLSA-N 2 1 332.394 3.871 20 0 EHADMP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444609899 1028074542 /nfs/dbraw/zinc/07/45/42/1028074542.db2.gz NODQCXXPYKHVSH-INIZCTEOSA-N 2 1 344.524 3.692 20 0 EHADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444609899 1028074562 /nfs/dbraw/zinc/07/45/62/1028074562.db2.gz NODQCXXPYKHVSH-INIZCTEOSA-N 2 1 344.524 3.692 20 0 EHADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422963139 1028076898 /nfs/dbraw/zinc/07/68/98/1028076898.db2.gz HQTBLRKONPMVJQ-HSALFYBXSA-N 2 1 343.515 3.803 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[NH2+]2)cc1 ZINC000422920965 1028077705 /nfs/dbraw/zinc/07/77/05/1028077705.db2.gz ODLVMVHVLXMLMV-WOJBJXKFSA-N 2 1 328.500 3.809 20 0 EHADMP CC1CC[NH+](C2CCC(N[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)CC1 ZINC000422967366 1028078564 /nfs/dbraw/zinc/07/85/64/1028078564.db2.gz PBKDWVYVZYBGFX-ZHAWHOEGSA-N 2 1 327.516 3.764 20 0 EHADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@H](N)c4ccccc43)CC2)CC1 ZINC000422967366 1028078573 /nfs/dbraw/zinc/07/85/73/1028078573.db2.gz PBKDWVYVZYBGFX-ZHAWHOEGSA-N 2 1 327.516 3.764 20 0 EHADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422969911 1028103350 /nfs/dbraw/zinc/10/33/50/1028103350.db2.gz VDBDXAHFJWJJCS-ATZDWAIDSA-N 2 1 326.415 3.732 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000422971748 1028104994 /nfs/dbraw/zinc/10/49/94/1028104994.db2.gz JTFFKWXKYGKHEP-CRAIPNDOSA-N 2 1 331.460 3.506 20 0 EHADMP C[C@@H](CCC[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414711695 1028124778 /nfs/dbraw/zinc/12/47/78/1028124778.db2.gz MJNXYLPXZDPZBD-INIZCTEOSA-N 2 1 346.519 3.700 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CC3 ZINC000423040131 1028145970 /nfs/dbraw/zinc/14/59/70/1028145970.db2.gz GOVXOMAWQPQGMA-PRCFCKQXSA-N 2 1 347.506 3.882 20 0 EHADMP C[C@H]([NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423061048 1028153619 /nfs/dbraw/zinc/15/36/19/1028153619.db2.gz PXHRHJICQSINJG-NHYWBVRUSA-N 2 1 330.369 3.606 20 0 EHADMP Clc1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423123822 1028189581 /nfs/dbraw/zinc/18/95/81/1028189581.db2.gz FIFLGNIHTRRNTD-ATGSNQNLSA-N 2 1 340.920 3.526 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)c2ccccc21 ZINC000423120203 1028191332 /nfs/dbraw/zinc/19/13/32/1028191332.db2.gz FXYLBOBSUPDZFK-NJYVYQBISA-N 2 1 334.463 3.815 20 0 EHADMP Cc1cc(C)c(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)n1 ZINC000455464370 1028195382 /nfs/dbraw/zinc/19/53/82/1028195382.db2.gz DFCSZIPHLKPOGD-INIZCTEOSA-N 2 1 342.443 3.558 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423168066 1028239849 /nfs/dbraw/zinc/23/98/49/1028239849.db2.gz GLDSBTGPLLJMEQ-MUDYYLEHSA-N 2 1 338.442 3.902 20 0 EHADMP CC1CC[NH+](CCC[C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(F)cc2)CC1 ZINC000423178694 1028248518 /nfs/dbraw/zinc/24/85/18/1028248518.db2.gz GHRNCAIOPMVGOA-NRFANRHFSA-N 3 1 347.522 3.721 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161772734 1028277920 /nfs/dbraw/zinc/27/79/20/1028277920.db2.gz JIRKOGMUZQCLKS-HNNXBMFYSA-N 2 1 341.455 3.517 20 0 EHADMP Cc1nccn1CCCC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000246371814 1028295170 /nfs/dbraw/zinc/29/51/70/1028295170.db2.gz YOWQUQYWFDGCLE-LJQANCHMSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000246371814 1028295189 /nfs/dbraw/zinc/29/51/89/1028295189.db2.gz YOWQUQYWFDGCLE-LJQANCHMSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000246371814 1028295203 /nfs/dbraw/zinc/29/52/03/1028295203.db2.gz YOWQUQYWFDGCLE-LJQANCHMSA-N 2 1 340.515 3.568 20 0 EHADMP COc1ccc(C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270676 1028334915 /nfs/dbraw/zinc/33/49/15/1028334915.db2.gz IJMLUTJTZQWUJS-SFTDATJTSA-N 2 1 342.483 3.561 20 0 EHADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423304772 1028358769 /nfs/dbraw/zinc/35/87/69/1028358769.db2.gz ZKGJPYZETWJZAT-PLACYPQZSA-N 2 1 329.532 3.537 20 0 EHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000121452809 1028362463 /nfs/dbraw/zinc/36/24/63/1028362463.db2.gz WOYQMQKRKPQNQA-PBHICJAKSA-N 2 1 331.460 3.586 20 0 EHADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000423330143 1028366706 /nfs/dbraw/zinc/36/67/06/1028366706.db2.gz LZICQBLTMRYFDR-NANBGGJNSA-N 2 1 338.442 3.554 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423405844 1028423223 /nfs/dbraw/zinc/42/32/23/1028423223.db2.gz UBTBOEZKALRMGA-GTTSAUCSSA-N 2 1 341.268 3.627 20 0 EHADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423494098 1028480031 /nfs/dbraw/zinc/48/00/31/1028480031.db2.gz RONUGFPHTMGBGE-JKSUJKDBSA-N 2 1 330.394 3.515 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CN)C2CCCC2)CC1 ZINC000423495336 1028483111 /nfs/dbraw/zinc/48/31/11/1028483111.db2.gz BTNVUSGLMVTUJH-CBNMVNINSA-N 2 1 329.532 3.537 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423495336 1028483115 /nfs/dbraw/zinc/48/31/15/1028483115.db2.gz BTNVUSGLMVTUJH-CBNMVNINSA-N 3 1 329.532 3.537 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423495336 1028483120 /nfs/dbraw/zinc/48/31/20/1028483120.db2.gz BTNVUSGLMVTUJH-CBNMVNINSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000247159289 1028752094 /nfs/dbraw/zinc/75/20/94/1028752094.db2.gz XTHMXQYXLVJDRR-QLFBSQMISA-N 2 1 326.431 3.505 20 0 EHADMP Cc1cc2ncc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H](C)C3)c(C)n2n1 ZINC000245539746 1028784908 /nfs/dbraw/zinc/78/49/08/1028784908.db2.gz OMPNHBRUKHZDIN-WBVHZDCISA-N 2 1 343.519 3.509 20 0 EHADMP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CCCC1 ZINC000421820790 1028804625 /nfs/dbraw/zinc/80/46/25/1028804625.db2.gz NVTSJDQARACVBM-SFHVURJKSA-N 2 1 330.516 3.897 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CC12CCOCC2 ZINC000414775958 1028841967 /nfs/dbraw/zinc/84/19/67/1028841967.db2.gz CPRDHLRDHWSFCT-QGZVFWFLSA-N 2 1 342.508 3.602 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000421858327 1028848676 /nfs/dbraw/zinc/84/86/76/1028848676.db2.gz RFLKNIGOAPPSDD-HUUCEWRRSA-N 2 1 342.886 3.501 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000421858327 1028848696 /nfs/dbraw/zinc/84/86/96/1028848696.db2.gz RFLKNIGOAPPSDD-HUUCEWRRSA-N 2 1 342.886 3.501 20 0 EHADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C)n1 ZINC000421856491 1028849352 /nfs/dbraw/zinc/84/93/52/1028849352.db2.gz OBHGGKCAOJKZTE-KOUNCHBCSA-N 2 1 335.495 3.984 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccnc1Cl ZINC000162500710 1028886518 /nfs/dbraw/zinc/88/65/18/1028886518.db2.gz LKXKFNIIPKGRHX-AWEZNQCLSA-N 2 1 333.863 3.526 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000248437875 1028904439 /nfs/dbraw/zinc/90/44/39/1028904439.db2.gz HIMINGOJIMHXBZ-APWZRJJASA-N 2 1 342.458 3.633 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[C@@H](C4CC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000897500358 1028921038 /nfs/dbraw/zinc/92/10/38/1028921038.db2.gz FYXHLIUDESZNIG-YJMBLLCNSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[C@@H](C4CC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000897500358 1028921056 /nfs/dbraw/zinc/92/10/56/1028921056.db2.gz FYXHLIUDESZNIG-YJMBLLCNSA-N 2 1 340.511 3.902 20 0 EHADMP CC(C)C[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414779851 1028924312 /nfs/dbraw/zinc/92/43/12/1028924312.db2.gz KRYVHHCUMDHGII-PMACEKPBSA-N 2 1 330.516 3.504 20 0 EHADMP CC1(C)[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000245656320 1028981968 /nfs/dbraw/zinc/98/19/68/1028981968.db2.gz DPSVQSWFHQGBSI-RLLAOZKESA-N 2 1 340.511 3.585 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOC3CCCC3)CC23CC3)cc1 ZINC000583144121 1028992417 /nfs/dbraw/zinc/99/24/17/1028992417.db2.gz PZIGQUQGICUSFL-IBGZPJMESA-N 2 1 328.500 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCOC3CCCC3)CC23CC3)cc1 ZINC000583144121 1028992429 /nfs/dbraw/zinc/99/24/29/1028992429.db2.gz PZIGQUQGICUSFL-IBGZPJMESA-N 2 1 328.500 3.732 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC000841008747 1028999167 /nfs/dbraw/zinc/99/91/67/1028999167.db2.gz BYYLSADPEHSGHE-RMVXJAJNSA-N 2 1 330.516 3.743 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368592 1029031293 /nfs/dbraw/zinc/03/12/93/1029031293.db2.gz AQEZBKWMNDWSBF-LBPRGKRZSA-N 2 1 330.369 3.809 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000503080568 1029035104 /nfs/dbraw/zinc/03/51/04/1029035104.db2.gz LPCMHVZZVNJTQA-MRXNPFEDSA-N 2 1 339.321 3.844 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414784927 1029039769 /nfs/dbraw/zinc/03/97/69/1029039769.db2.gz RVCIHCUQVATWQC-HZPDHXFCSA-N 2 1 344.890 3.552 20 0 EHADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245761765 1029258547 /nfs/dbraw/zinc/25/85/47/1029258547.db2.gz VRCKFEGOJYHQFV-KJJMTIBFSA-N 2 1 336.479 3.505 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414809891 1029265109 /nfs/dbraw/zinc/26/51/09/1029265109.db2.gz HGCLDZDWQBMKKW-WCQYABFASA-N 2 1 331.273 3.626 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000290053040 1029282677 /nfs/dbraw/zinc/28/26/77/1029282677.db2.gz FEKWFOYXJAEURB-FSSWDIPSSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053040 1029282689 /nfs/dbraw/zinc/28/26/89/1029282689.db2.gz FEKWFOYXJAEURB-FSSWDIPSSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053040 1029282703 /nfs/dbraw/zinc/28/27/03/1029282703.db2.gz FEKWFOYXJAEURB-FSSWDIPSSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000290053040 1029282713 /nfs/dbraw/zinc/28/27/13/1029282713.db2.gz FEKWFOYXJAEURB-FSSWDIPSSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000290053040 1029282725 /nfs/dbraw/zinc/28/27/25/1029282725.db2.gz FEKWFOYXJAEURB-FSSWDIPSSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053040 1029282737 /nfs/dbraw/zinc/28/27/37/1029282737.db2.gz FEKWFOYXJAEURB-FSSWDIPSSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053040 1029282747 /nfs/dbraw/zinc/28/27/47/1029282747.db2.gz FEKWFOYXJAEURB-FSSWDIPSSA-N 3 1 341.543 3.505 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000245783918 1029291835 /nfs/dbraw/zinc/29/18/35/1029291835.db2.gz UWQQSXQKAWFIFU-DZGCQCFKSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000245783918 1029291849 /nfs/dbraw/zinc/29/18/49/1029291849.db2.gz UWQQSXQKAWFIFU-DZGCQCFKSA-N 2 1 340.895 3.662 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000162749836 1029383415 /nfs/dbraw/zinc/38/34/15/1029383415.db2.gz WLDROIHVTSEMKV-XDHUDOTRSA-N 2 1 344.524 3.597 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000162113919 1029455002 /nfs/dbraw/zinc/45/50/02/1029455002.db2.gz ZVVBMLFXPLBOLW-SBHAEUEKSA-N 2 1 332.532 3.825 20 0 EHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414840961 1029544519 /nfs/dbraw/zinc/54/45/19/1029544519.db2.gz MUPLSCPDWPNJTK-ZWKOTPCHSA-N 2 1 334.504 3.522 20 0 EHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414840949 1029545337 /nfs/dbraw/zinc/54/53/37/1029545337.db2.gz MUPLSCPDWPNJTK-MSOLQXFVSA-N 2 1 334.504 3.522 20 0 EHADMP CC1(C[NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)COC1 ZINC000286772306 1029546462 /nfs/dbraw/zinc/54/64/62/1029546462.db2.gz ZYNOCQUFKGGTBL-UHFFFAOYSA-N 2 1 338.495 3.705 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648786 1029549512 /nfs/dbraw/zinc/54/95/12/1029549512.db2.gz JSHVXVNUFFRPMS-DENIHFKCSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272648786 1029549521 /nfs/dbraw/zinc/54/95/21/1029549521.db2.gz JSHVXVNUFFRPMS-DENIHFKCSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC000272676226 1029562287 /nfs/dbraw/zinc/56/22/87/1029562287.db2.gz USCHNOJVVZYYIE-MCIONIFRSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC000272676226 1029562293 /nfs/dbraw/zinc/56/22/93/1029562293.db2.gz USCHNOJVVZYYIE-MCIONIFRSA-N 2 1 342.314 3.644 20 0 EHADMP C[C@H](NCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691370 1029737869 /nfs/dbraw/zinc/73/78/69/1029737869.db2.gz MTEUMWFWIWNMTF-RBBKRZOGSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508691370 1029737878 /nfs/dbraw/zinc/73/78/78/1029737878.db2.gz MTEUMWFWIWNMTF-RBBKRZOGSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691370 1029737887 /nfs/dbraw/zinc/73/78/87/1029737887.db2.gz MTEUMWFWIWNMTF-RBBKRZOGSA-N 3 1 343.559 3.609 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703041 1029763104 /nfs/dbraw/zinc/76/31/04/1029763104.db2.gz XFBLBIJFAWAUKB-BAGYTPMASA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703041 1029763111 /nfs/dbraw/zinc/76/31/11/1029763111.db2.gz XFBLBIJFAWAUKB-BAGYTPMASA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703041 1029763117 /nfs/dbraw/zinc/76/31/17/1029763117.db2.gz XFBLBIJFAWAUKB-BAGYTPMASA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000508708534 1029771056 /nfs/dbraw/zinc/77/10/56/1029771056.db2.gz CBEWWHLCQGJBGJ-RZUBCFFCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708534 1029771063 /nfs/dbraw/zinc/77/10/63/1029771063.db2.gz CBEWWHLCQGJBGJ-RZUBCFFCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708534 1029771071 /nfs/dbraw/zinc/77/10/71/1029771071.db2.gz CBEWWHLCQGJBGJ-RZUBCFFCSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715647 1029775310 /nfs/dbraw/zinc/77/53/10/1029775310.db2.gz JIKKYLJQYVJFOO-JBPLPALLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374974 1029776730 /nfs/dbraw/zinc/77/67/30/1029776730.db2.gz XQIHKVPDSXQYPB-KGLIPLIRSA-N 2 1 344.421 3.935 20 0 EHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710650 1029780730 /nfs/dbraw/zinc/78/07/30/1029780730.db2.gz NBVXWHDOAVIUJJ-TYPHKJRUSA-N 3 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710650 1029780738 /nfs/dbraw/zinc/78/07/38/1029780738.db2.gz NBVXWHDOAVIUJJ-TYPHKJRUSA-N 2 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710650 1029780745 /nfs/dbraw/zinc/78/07/45/1029780745.db2.gz NBVXWHDOAVIUJJ-TYPHKJRUSA-N 2 1 345.575 3.853 20 0 EHADMP OCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000120453612 1030000257 /nfs/dbraw/zinc/00/02/57/1030000257.db2.gz CSLPALKNGDPUCW-JOCHJYFZSA-N 2 1 344.543 3.614 20 0 EHADMP CCSc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707909 1030007233 /nfs/dbraw/zinc/00/72/33/1030007233.db2.gz PYOBAHBIAYJACR-LNLFQRSKSA-N 2 1 334.529 3.517 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453241944 1030011700 /nfs/dbraw/zinc/01/17/00/1030011700.db2.gz UVPRIEQEOAVBKQ-HUUCEWRRSA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453241944 1030011719 /nfs/dbraw/zinc/01/17/19/1030011719.db2.gz UVPRIEQEOAVBKQ-HUUCEWRRSA-N 2 1 340.389 3.791 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H]1CC[NH3+] ZINC000650711385 1030061406 /nfs/dbraw/zinc/06/14/06/1030061406.db2.gz RVCNTIYXWBOYMU-UTKZUKDTSA-N 2 1 339.483 3.610 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)[C@H](C)C1 ZINC000531966816 1030152359 /nfs/dbraw/zinc/15/23/59/1030152359.db2.gz FOLMCEDZUKHHOY-HBFSDRIKSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)[C@H](C)C1 ZINC000531966816 1030152367 /nfs/dbraw/zinc/15/23/67/1030152367.db2.gz FOLMCEDZUKHHOY-HBFSDRIKSA-N 2 1 348.531 3.791 20 0 EHADMP Cc1cc2[nH]c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020089 1030177150 /nfs/dbraw/zinc/17/71/50/1030177150.db2.gz WSQILLHNCPDCKH-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1cc2[nH]c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020089 1030177160 /nfs/dbraw/zinc/17/71/60/1030177160.db2.gz WSQILLHNCPDCKH-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1cc2[nH]c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020089 1030177166 /nfs/dbraw/zinc/17/71/66/1030177166.db2.gz WSQILLHNCPDCKH-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2c(C)c1 ZINC000482020089 1030177173 /nfs/dbraw/zinc/17/71/73/1030177173.db2.gz WSQILLHNCPDCKH-GOSISDBHSA-N 2 1 325.500 3.948 20 0 EHADMP Fc1ccc(F)c(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453374791 1030192786 /nfs/dbraw/zinc/19/27/86/1030192786.db2.gz UDZVPUMTMITQKK-MOPGFXCFSA-N 2 1 334.454 3.846 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980722 1030197600 /nfs/dbraw/zinc/19/76/00/1030197600.db2.gz DQELSQYSSSZLAS-BRWVUGGUSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980722 1030197610 /nfs/dbraw/zinc/19/76/10/1030197610.db2.gz DQELSQYSSSZLAS-BRWVUGGUSA-N 2 1 331.504 3.599 20 0 EHADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1cccc(Cl)c1 ZINC000650723769 1030215574 /nfs/dbraw/zinc/21/55/74/1030215574.db2.gz TVTKGTHQVROTGN-ZWQIFLOQSA-N 2 1 336.907 3.804 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc(-c2ccccc2)n1C ZINC000453409429 1030220838 /nfs/dbraw/zinc/22/08/38/1030220838.db2.gz UDGNVHMZTYBOKM-MRXNPFEDSA-N 2 1 326.488 3.612 20 0 EHADMP C[C@H]1CCCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000482277553 1030302937 /nfs/dbraw/zinc/30/29/37/1030302937.db2.gz MCHOUKJJGWRJAU-SFHVURJKSA-N 2 1 329.532 3.839 20 0 EHADMP CC1CCC(O)(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000121619943 1030307433 /nfs/dbraw/zinc/30/74/33/1030307433.db2.gz RQIKTMUGCJXUSR-UHFFFAOYSA-N 2 1 330.516 3.524 20 0 EHADMP CC1CCC(O)(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000121619943 1030307445 /nfs/dbraw/zinc/30/74/45/1030307445.db2.gz RQIKTMUGCJXUSR-UHFFFAOYSA-N 2 1 330.516 3.524 20 0 EHADMP Cc1cc(C)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC000482365043 1030353604 /nfs/dbraw/zinc/35/36/04/1030353604.db2.gz KXYQVNQQLKRLQQ-LJQANCHMSA-N 2 1 331.548 3.536 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000453604268 1030393298 /nfs/dbraw/zinc/39/32/98/1030393298.db2.gz YOWVVKNVGUGHKW-UHFFFAOYSA-N 2 1 332.822 3.905 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278368071 1030420221 /nfs/dbraw/zinc/42/02/21/1030420221.db2.gz JQJWBPNJKPALGQ-IHWFROFDSA-N 2 1 339.458 3.814 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278368071 1030420227 /nfs/dbraw/zinc/42/02/27/1030420227.db2.gz JQJWBPNJKPALGQ-IHWFROFDSA-N 2 1 339.458 3.814 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000092389217 1030444200 /nfs/dbraw/zinc/44/42/00/1030444200.db2.gz UCMLJPQVVVGXDB-OAHLLOKOSA-N 2 1 346.906 3.871 20 0 EHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000532188657 1030466053 /nfs/dbraw/zinc/46/60/53/1030466053.db2.gz YGMZKVOZUZNBNA-SJLPKXTDSA-N 2 1 335.561 3.595 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000532200172 1030475131 /nfs/dbraw/zinc/47/51/31/1030475131.db2.gz ZBQGUFVQMZJEHR-HNNXBMFYSA-N 2 1 349.434 3.803 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000092820639 1030524937 /nfs/dbraw/zinc/52/49/37/1030524937.db2.gz QJICNEPGHDDFPC-UHFFFAOYSA-N 2 1 327.378 3.849 20 0 EHADMP CC1CCC(O)(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092821586 1030525769 /nfs/dbraw/zinc/52/57/69/1030525769.db2.gz CYSGWQZNPOQWRW-UHFFFAOYSA-N 2 1 345.531 3.561 20 0 EHADMP CC1(C)OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787152 1030557630 /nfs/dbraw/zinc/55/76/30/1030557630.db2.gz SYFGLRZGQHWTMO-MOPGFXCFSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787152 1030557634 /nfs/dbraw/zinc/55/76/34/1030557634.db2.gz SYFGLRZGQHWTMO-MOPGFXCFSA-N 2 1 328.500 3.588 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000470013129 1030679420 /nfs/dbraw/zinc/67/94/20/1030679420.db2.gz VLXZMRSEFXXISL-SFHVURJKSA-N 2 1 334.504 3.552 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)C1 ZINC000470013129 1030679437 /nfs/dbraw/zinc/67/94/37/1030679437.db2.gz VLXZMRSEFXXISL-SFHVURJKSA-N 2 1 334.504 3.552 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000482874341 1030774323 /nfs/dbraw/zinc/77/43/23/1030774323.db2.gz OFMNJLDXJZVCIF-LSTHTHJFSA-N 2 1 349.950 3.624 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000550895986 1030781179 /nfs/dbraw/zinc/78/11/79/1030781179.db2.gz SLEDLWOKHBHXJP-STZQEDGTSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000550930481 1030817170 /nfs/dbraw/zinc/81/71/70/1030817170.db2.gz HMHXUVOEDBHKFO-BXUZGUMPSA-N 2 1 345.712 3.717 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000551008706 1030883127 /nfs/dbraw/zinc/88/31/27/1030883127.db2.gz ZAHZKDJDIHUIOC-FCEUIQTBSA-N 2 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008706 1030883148 /nfs/dbraw/zinc/88/31/48/1030883148.db2.gz ZAHZKDJDIHUIOC-FCEUIQTBSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008706 1030883171 /nfs/dbraw/zinc/88/31/71/1030883171.db2.gz ZAHZKDJDIHUIOC-FCEUIQTBSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008706 1030883200 /nfs/dbraw/zinc/88/32/00/1030883200.db2.gz ZAHZKDJDIHUIOC-FCEUIQTBSA-N 3 1 343.559 3.924 20 0 EHADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551008706 1030883230 /nfs/dbraw/zinc/88/32/30/1030883230.db2.gz ZAHZKDJDIHUIOC-FCEUIQTBSA-N 3 1 343.559 3.924 20 0 EHADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000527538242 1030995301 /nfs/dbraw/zinc/99/53/01/1030995301.db2.gz IMXBXOFKJCMZND-UHFFFAOYSA-N 2 1 335.495 3.878 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000551067804 1031013123 /nfs/dbraw/zinc/01/31/23/1031013123.db2.gz PMBIOZBQTHVLQR-IRLDBZIGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000551067804 1031013139 /nfs/dbraw/zinc/01/31/39/1031013139.db2.gz PMBIOZBQTHVLQR-IRLDBZIGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000551067804 1031013154 /nfs/dbraw/zinc/01/31/54/1031013154.db2.gz PMBIOZBQTHVLQR-IRLDBZIGSA-N 2 1 343.559 3.846 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(Br)c(F)c2F)[C@H](C)C1 ZINC000527665605 1031091277 /nfs/dbraw/zinc/09/12/77/1031091277.db2.gz GRYJCGCPZGPYIM-ZWNOBZJWSA-N 2 1 347.247 3.547 20 0 EHADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000527721415 1031181553 /nfs/dbraw/zinc/18/15/53/1031181553.db2.gz SDISHSXUKYNCFC-CYBMUJFWSA-N 2 1 330.394 3.536 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527925838 1031416615 /nfs/dbraw/zinc/41/66/15/1031416615.db2.gz JNQQDSFWKRQJBC-MWXLCCTBSA-N 2 1 330.516 3.836 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000151482320 1031462343 /nfs/dbraw/zinc/46/23/43/1031462343.db2.gz CDUMFWNUMJQQSL-VQIMIIECSA-N 2 1 338.923 3.609 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161640 1031479635 /nfs/dbraw/zinc/47/96/35/1031479635.db2.gz NJUVGGDJBKVNNW-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161640 1031479645 /nfs/dbraw/zinc/47/96/45/1031479645.db2.gz NJUVGGDJBKVNNW-UGKGYDQZSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000484163684 1031483626 /nfs/dbraw/zinc/48/36/26/1031483626.db2.gz LWKOFXJKGDWUCW-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000484163684 1031483634 /nfs/dbraw/zinc/48/36/34/1031483634.db2.gz LWKOFXJKGDWUCW-KNQAVFIVSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccccc1C[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551696778 1031571436 /nfs/dbraw/zinc/57/14/36/1031571436.db2.gz KXPCJSGTBBSKFY-JOCHJYFZSA-N 2 1 338.495 3.718 20 0 EHADMP Cc1ccccc1C[N@@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551696778 1031571447 /nfs/dbraw/zinc/57/14/47/1031571447.db2.gz KXPCJSGTBBSKFY-JOCHJYFZSA-N 2 1 338.495 3.718 20 0 EHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1OC(F)F ZINC000484467685 1031581740 /nfs/dbraw/zinc/58/17/40/1031581740.db2.gz AVFQUDKYWQBLCS-FPMFFAJLSA-N 2 1 330.394 3.951 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000584081090 1031673716 /nfs/dbraw/zinc/67/37/16/1031673716.db2.gz HSNDLRNOPSYCPM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(Br)c1 ZINC000584081090 1031673720 /nfs/dbraw/zinc/67/37/20/1031673720.db2.gz HSNDLRNOPSYCPM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000584081090 1031673725 /nfs/dbraw/zinc/67/37/25/1031673725.db2.gz HSNDLRNOPSYCPM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000584081090 1031673733 /nfs/dbraw/zinc/67/37/33/1031673733.db2.gz HSNDLRNOPSYCPM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@]1(C)CCC[NH2+]C1 ZINC000904313774 1031939443 /nfs/dbraw/zinc/93/94/43/1031939443.db2.gz JWSWSCRVAZPXHQ-HXUWFJFHSA-N 2 1 327.472 3.596 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231248 1031976028 /nfs/dbraw/zinc/97/60/28/1031976028.db2.gz JLFVCQVKXVDPSI-SFTDATJTSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231248 1031976038 /nfs/dbraw/zinc/97/60/38/1031976038.db2.gz JLFVCQVKXVDPSI-SFTDATJTSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918912 1032002242 /nfs/dbraw/zinc/00/22/42/1032002242.db2.gz VVMVUIOQULACIC-UWJYYQICSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918912 1032002255 /nfs/dbraw/zinc/00/22/55/1032002255.db2.gz VVMVUIOQULACIC-UWJYYQICSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015412 1032028077 /nfs/dbraw/zinc/02/80/77/1032028077.db2.gz BUCNZRMHVSRPNK-DLBZAZTESA-N 2 1 327.472 3.914 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3cccnc3o2)C1 ZINC000449015412 1032028087 /nfs/dbraw/zinc/02/80/87/1032028087.db2.gz BUCNZRMHVSRPNK-DLBZAZTESA-N 2 1 327.472 3.914 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449015412 1032028098 /nfs/dbraw/zinc/02/80/98/1032028098.db2.gz BUCNZRMHVSRPNK-DLBZAZTESA-N 2 1 327.472 3.914 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449015412 1032028111 /nfs/dbraw/zinc/02/81/11/1032028111.db2.gz BUCNZRMHVSRPNK-DLBZAZTESA-N 2 1 327.472 3.914 20 0 EHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000685436651 1033327208 /nfs/dbraw/zinc/32/72/08/1033327208.db2.gz NASVBTFSRAUTLW-UHFFFAOYSA-N 2 1 326.440 3.509 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470036 1033367709 /nfs/dbraw/zinc/36/77/09/1033367709.db2.gz JOIUNGUEXJWLGE-GDBMZVCRSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470036 1033367716 /nfs/dbraw/zinc/36/77/16/1033367716.db2.gz JOIUNGUEXJWLGE-GDBMZVCRSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470036 1033367721 /nfs/dbraw/zinc/36/77/21/1033367721.db2.gz JOIUNGUEXJWLGE-GDBMZVCRSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470036 1033367723 /nfs/dbraw/zinc/36/77/23/1033367723.db2.gz JOIUNGUEXJWLGE-GDBMZVCRSA-N 2 1 326.431 3.677 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470821 1033371858 /nfs/dbraw/zinc/37/18/58/1033371858.db2.gz UMMDUOKUQRHVOT-RDJZCZTQSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000685470821 1033371875 /nfs/dbraw/zinc/37/18/75/1033371875.db2.gz UMMDUOKUQRHVOT-RDJZCZTQSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000685470821 1033371891 /nfs/dbraw/zinc/37/18/91/1033371891.db2.gz UMMDUOKUQRHVOT-RDJZCZTQSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)cc1 ZINC000191614203 1033456608 /nfs/dbraw/zinc/45/66/08/1033456608.db2.gz SRKJXXNXPAHTHB-UTKZUKDTSA-N 2 1 349.478 3.743 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000305796659 1033519513 /nfs/dbraw/zinc/51/95/13/1033519513.db2.gz VUUAEKLZRQUUEO-INIZCTEOSA-N 2 1 335.451 3.566 20 0 EHADMP Cc1c[nH]nc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000685615611 1033621450 /nfs/dbraw/zinc/62/14/50/1033621450.db2.gz NNTDNBUCCUNOHR-UHFFFAOYSA-N 2 1 340.515 3.543 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000685613131 1033624825 /nfs/dbraw/zinc/62/48/25/1033624825.db2.gz KAEIODSKNYEGEG-ZJCQAOIJSA-N 2 1 336.426 3.908 20 0 EHADMP COC(=O)CC1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000599024189 1033651180 /nfs/dbraw/zinc/65/11/80/1033651180.db2.gz MSGJWYXVXMSZCP-UHFFFAOYSA-N 2 1 346.515 3.738 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669684342 1033675451 /nfs/dbraw/zinc/67/54/51/1033675451.db2.gz HTBPVTWQKIUWDU-BVOGOJNSSA-N 2 1 330.516 3.690 20 0 EHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657937133 1033693776 /nfs/dbraw/zinc/69/37/76/1033693776.db2.gz IXIKELDKKYZDAD-QGZVFWFLSA-N 2 1 326.406 3.878 20 0 EHADMP CN(C)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000608510646 1033740320 /nfs/dbraw/zinc/74/03/20/1033740320.db2.gz NDMKRHGHPJYJFA-NRFANRHFSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000608510646 1033740330 /nfs/dbraw/zinc/74/03/30/1033740330.db2.gz NDMKRHGHPJYJFA-NRFANRHFSA-N 2 1 337.511 3.707 20 0 EHADMP CN(C)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000608510646 1033740340 /nfs/dbraw/zinc/74/03/40/1033740340.db2.gz NDMKRHGHPJYJFA-NRFANRHFSA-N 2 1 337.511 3.707 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000132208537 1033745468 /nfs/dbraw/zinc/74/54/68/1033745468.db2.gz GQZLWLJHJMGSHT-MRXNPFEDSA-N 2 1 334.504 3.646 20 0 EHADMP CC(C)[C@@H]1C[NH+](C/C=C/C[N@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000608577910 1033774310 /nfs/dbraw/zinc/77/43/10/1033774310.db2.gz SIIGKPURBZQPGQ-ZBKUBXTQSA-N 2 1 342.618 3.689 20 0 EHADMP c1ccc2c(c1)snc2CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659944026 1033784082 /nfs/dbraw/zinc/78/40/82/1033784082.db2.gz HIHWQCAHQPIEPD-MRXNPFEDSA-N 2 1 329.513 3.789 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659944026 1033784089 /nfs/dbraw/zinc/78/40/89/1033784089.db2.gz HIHWQCAHQPIEPD-MRXNPFEDSA-N 2 1 329.513 3.789 20 0 EHADMP C[N@@H+](Cc1ncc(C(F)(F)F)cc1Cl)CC1CC[NH+](C)CC1 ZINC001142551311 1033811245 /nfs/dbraw/zinc/81/12/45/1033811245.db2.gz YUJRVQHQXHGNHV-UHFFFAOYSA-N 2 1 335.801 3.527 20 0 EHADMP C[N@H+](Cc1ncc(C(F)(F)F)cc1Cl)CC1CC[NH+](C)CC1 ZINC001142551311 1033811260 /nfs/dbraw/zinc/81/12/60/1033811260.db2.gz YUJRVQHQXHGNHV-UHFFFAOYSA-N 2 1 335.801 3.527 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989722 1033813007 /nfs/dbraw/zinc/81/30/07/1033813007.db2.gz LSZDSTQAEFAHJH-NVXWUHKLSA-N 2 1 340.458 3.547 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989722 1033813015 /nfs/dbraw/zinc/81/30/15/1033813015.db2.gz LSZDSTQAEFAHJH-NVXWUHKLSA-N 2 1 340.458 3.547 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c2ccccc21 ZINC000550666146 1033836166 /nfs/dbraw/zinc/83/61/66/1033836166.db2.gz WGJSXVBLQNDYAK-DLBZAZTESA-N 2 1 344.474 3.722 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658019560 1033845265 /nfs/dbraw/zinc/84/52/65/1033845265.db2.gz RCAJMPJMXUTNNL-SFHVURJKSA-N 2 1 336.470 3.966 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)O1 ZINC000575122768 1033867506 /nfs/dbraw/zinc/86/75/06/1033867506.db2.gz CDAHAKMQPDCOCX-LFGUQSLTSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)O1 ZINC000575122768 1033867518 /nfs/dbraw/zinc/86/75/18/1033867518.db2.gz CDAHAKMQPDCOCX-LFGUQSLTSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1(F)F ZINC000658216221 1034101008 /nfs/dbraw/zinc/10/10/08/1034101008.db2.gz AMYDFPFGHQKUEV-INDMIFKZSA-N 2 1 334.454 3.922 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614780 1034153333 /nfs/dbraw/zinc/15/33/33/1034153333.db2.gz IMVYAKPIKFQJCQ-OCCSQVGLSA-N 2 1 330.394 3.732 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614780 1034153338 /nfs/dbraw/zinc/15/33/38/1034153338.db2.gz IMVYAKPIKFQJCQ-OCCSQVGLSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614780 1034153345 /nfs/dbraw/zinc/15/33/45/1034153345.db2.gz IMVYAKPIKFQJCQ-OCCSQVGLSA-N 2 1 330.394 3.732 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614780 1034153348 /nfs/dbraw/zinc/15/33/48/1034153348.db2.gz IMVYAKPIKFQJCQ-OCCSQVGLSA-N 2 1 330.394 3.732 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@H](C)C1 ZINC000119445228 1034154062 /nfs/dbraw/zinc/15/40/62/1034154062.db2.gz ZZGLMDGXFMVIMX-VQIMIIECSA-N 2 1 338.923 3.609 20 0 EHADMP CCCN1CC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000658283287 1034157868 /nfs/dbraw/zinc/15/78/68/1034157868.db2.gz BIHCMAMMAOEVGW-NYLDSWQDSA-N 2 1 329.532 3.504 20 0 EHADMP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319945 1034196065 /nfs/dbraw/zinc/19/60/65/1034196065.db2.gz KCLXLRHPZKKHFW-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCOC1 ZINC000658319837 1034196471 /nfs/dbraw/zinc/19/64/71/1034196471.db2.gz JMIVQDZMNYJVIV-NJYVYQBISA-N 2 1 342.527 3.693 20 0 EHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388476 1034359718 /nfs/dbraw/zinc/35/97/18/1034359718.db2.gz FEEKJIQEFBDRBZ-RTBURBONSA-N 2 1 335.923 3.503 20 0 EHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388476 1034359731 /nfs/dbraw/zinc/35/97/31/1034359731.db2.gz FEEKJIQEFBDRBZ-RTBURBONSA-N 2 1 335.923 3.503 20 0 EHADMP CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604774475 1034488759 /nfs/dbraw/zinc/48/87/59/1034488759.db2.gz WXCKJRSFERJWRT-QAPCUYQASA-N 2 1 333.520 3.532 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000375888149 1034836679 /nfs/dbraw/zinc/83/66/79/1034836679.db2.gz KJTJDTGGRYUQCE-JYAXOCDNSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000375888149 1034836688 /nfs/dbraw/zinc/83/66/88/1034836688.db2.gz KJTJDTGGRYUQCE-JYAXOCDNSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000375888149 1034836697 /nfs/dbraw/zinc/83/66/97/1034836697.db2.gz KJTJDTGGRYUQCE-JYAXOCDNSA-N 3 1 341.543 3.646 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)o1 ZINC000892507134 1035099863 /nfs/dbraw/zinc/09/98/63/1035099863.db2.gz SVIKGDVKTLEBAG-UHFFFAOYSA-N 2 1 328.456 3.810 20 0 EHADMP CC(C)(C)c1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000685841473 1035388225 /nfs/dbraw/zinc/38/82/25/1035388225.db2.gz ABRBBBZRESPOAA-NRFANRHFSA-N 2 1 344.543 3.760 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccn(C)n1 ZINC000414082102 1035460109 /nfs/dbraw/zinc/46/01/09/1035460109.db2.gz FKKIAULYVJDKIS-KRWDZBQOSA-N 2 1 326.488 3.503 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1C ZINC000414174163 1035892022 /nfs/dbraw/zinc/89/20/22/1035892022.db2.gz XUOGAFASNIPNQJ-KOUNCHBCSA-N 2 1 335.495 3.984 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1C ZINC000414174163 1035892041 /nfs/dbraw/zinc/89/20/41/1035892041.db2.gz XUOGAFASNIPNQJ-KOUNCHBCSA-N 2 1 335.495 3.984 20 0 EHADMP c1ccc([C@@H]2CCCN2CCC[N@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000535011360 1035898053 /nfs/dbraw/zinc/89/80/53/1035898053.db2.gz NACLVSLGPXULLF-SFTDATJTSA-N 2 1 336.483 3.841 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000414179422 1035925334 /nfs/dbraw/zinc/92/53/34/1035925334.db2.gz KQUHJKNQJKZKAV-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689501 1035974337 /nfs/dbraw/zinc/97/43/37/1035974337.db2.gz ZZNROLBBKJHGQZ-RTWAWAEBSA-N 2 1 344.474 3.605 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689501 1035974358 /nfs/dbraw/zinc/97/43/58/1035974358.db2.gz ZZNROLBBKJHGQZ-RTWAWAEBSA-N 2 1 344.474 3.605 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120244 1036004000 /nfs/dbraw/zinc/00/40/00/1036004000.db2.gz NPGQHGFVZHACQB-CEXWTWQISA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000572120244 1036004017 /nfs/dbraw/zinc/00/40/17/1036004017.db2.gz NPGQHGFVZHACQB-CEXWTWQISA-N 2 1 328.500 3.587 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCCC4)CC2)oc1C ZINC000189121478 1036039347 /nfs/dbraw/zinc/03/93/47/1036039347.db2.gz OBYYASNZESUKLK-SFHVURJKSA-N 2 1 331.504 3.816 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1Br)CC1CC[NH+](C)CC1 ZINC000513718555 1036284886 /nfs/dbraw/zinc/28/48/86/1036284886.db2.gz ZNXUGBRENCNASE-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000892581421 1036301036 /nfs/dbraw/zinc/30/10/36/1036301036.db2.gz XPHFDJNEPCPQBH-MRXNPFEDSA-N 2 1 328.456 3.810 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000892581421 1036301058 /nfs/dbraw/zinc/30/10/58/1036301058.db2.gz XPHFDJNEPCPQBH-MRXNPFEDSA-N 2 1 328.456 3.810 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165320970 1036383559 /nfs/dbraw/zinc/38/35/59/1036383559.db2.gz JMAHAJRZJOLWAX-AEFFLSMTSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165320970 1036383578 /nfs/dbraw/zinc/38/35/78/1036383578.db2.gz JMAHAJRZJOLWAX-AEFFLSMTSA-N 2 1 343.902 3.950 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(CO)cc2)CC1)CC1CC1 ZINC000492935997 1036419891 /nfs/dbraw/zinc/41/98/91/1036419891.db2.gz JIQQAWAELQOMKS-UHFFFAOYSA-N 2 1 330.516 3.513 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000541545553 1036424515 /nfs/dbraw/zinc/42/45/15/1036424515.db2.gz IMIICFHEBBHFEU-IIMDRIAPSA-N 2 1 330.516 3.822 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000541546703 1036427285 /nfs/dbraw/zinc/42/72/85/1036427285.db2.gz JVWLCWGPBBIRNS-BMQTXXJKSA-N 2 1 330.516 3.822 20 0 EHADMP CC(C)c1nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccn21 ZINC000572651294 1036445907 /nfs/dbraw/zinc/44/59/07/1036445907.db2.gz UJIXXJRQRALPPW-SFHVURJKSA-N 2 1 340.515 3.621 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCO[C@@H](C)C3)C2)s1 ZINC000572768874 1036513590 /nfs/dbraw/zinc/51/35/90/1036513590.db2.gz JALDZGACXOHAIG-CGTJXYLNSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCO[C@@H](C)C3)C2)s1 ZINC000572768874 1036513600 /nfs/dbraw/zinc/51/36/00/1036513600.db2.gz JALDZGACXOHAIG-CGTJXYLNSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCO[C@@H](C)C3)C2)s1 ZINC000572768874 1036513608 /nfs/dbraw/zinc/51/36/08/1036513608.db2.gz JALDZGACXOHAIG-CGTJXYLNSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000398113323 1036520954 /nfs/dbraw/zinc/52/09/54/1036520954.db2.gz OOADNKZCLYMUJR-FRYIKTPZSA-N 2 1 330.516 3.690 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000398113323 1036520964 /nfs/dbraw/zinc/52/09/64/1036520964.db2.gz OOADNKZCLYMUJR-FRYIKTPZSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000535512522 1036577052 /nfs/dbraw/zinc/57/70/52/1036577052.db2.gz XUTVJTFSEDQMMY-PXTPFGJHSA-N 2 1 334.548 3.682 20 0 EHADMP c1nc2ccc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)cc2[nH]1 ZINC000589645800 1036576966 /nfs/dbraw/zinc/57/69/66/1036576966.db2.gz XHIXQWFCAJGLDZ-UHFFFAOYSA-N 2 1 334.467 3.565 20 0 EHADMP CC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769513 1036639470 /nfs/dbraw/zinc/63/94/70/1036639470.db2.gz IJJNPICHZFCQRU-IHPCNDPISA-N 2 1 340.515 3.762 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643464235 1036757763 /nfs/dbraw/zinc/75/77/63/1036757763.db2.gz MJRLWIDABFJUJR-RISCZKNCSA-N 2 1 329.271 3.939 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310282534 1036803080 /nfs/dbraw/zinc/80/30/80/1036803080.db2.gz WRNCXPCCQKSTDL-MAUKXSAKSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310282534 1036803101 /nfs/dbraw/zinc/80/31/01/1036803101.db2.gz WRNCXPCCQKSTDL-MAUKXSAKSA-N 2 1 330.422 3.965 20 0 EHADMP C[N@H+](CCOc1cccc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847043 1036888255 /nfs/dbraw/zinc/88/82/55/1036888255.db2.gz TXFSLLLXPDGWPQ-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[N@@H+](CCOc1cccc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847043 1036888277 /nfs/dbraw/zinc/88/82/77/1036888277.db2.gz TXFSLLLXPDGWPQ-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1cccc(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464847043 1036888297 /nfs/dbraw/zinc/88/82/97/1036888297.db2.gz TXFSLLLXPDGWPQ-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1cccc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464847043 1036888313 /nfs/dbraw/zinc/88/83/13/1036888313.db2.gz TXFSLLLXPDGWPQ-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206335 1036893010 /nfs/dbraw/zinc/89/30/10/1036893010.db2.gz QIOKAFVJVICJPW-SGZDXZSOSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493206335 1036893032 /nfs/dbraw/zinc/89/30/32/1036893032.db2.gz QIOKAFVJVICJPW-SGZDXZSOSA-N 2 1 330.516 3.833 20 0 EHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@H]2C1 ZINC001143472568 1036911483 /nfs/dbraw/zinc/91/14/83/1036911483.db2.gz REGGHQWUBUVFBO-HZPDHXFCSA-N 2 1 342.405 3.667 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000590787287 1037049451 /nfs/dbraw/zinc/04/94/51/1037049451.db2.gz YLBAOUGMIBHPOR-UHFFFAOYSA-N 2 1 327.472 3.894 20 0 EHADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542823 1037067506 /nfs/dbraw/zinc/06/75/06/1037067506.db2.gz CLBAWULNRLZJQP-ROUUACIJSA-N 2 1 325.456 3.553 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647543472 1037090540 /nfs/dbraw/zinc/09/05/40/1037090540.db2.gz OEDHRYCAJRKBRY-RTBURBONSA-N 2 1 339.483 3.862 20 0 EHADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924582916 1037325392 /nfs/dbraw/zinc/32/53/92/1037325392.db2.gz OMNSLBYEHRILEL-SFHVURJKSA-N 2 1 325.456 3.746 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461547 1037365901 /nfs/dbraw/zinc/36/59/01/1037365901.db2.gz TXLWQDWGNFEPKW-UXPWSPDFSA-N 2 1 349.950 3.797 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000532463006 1037373071 /nfs/dbraw/zinc/37/30/71/1037373071.db2.gz GXEONJGKXUHEIG-KEYYUXOJSA-N 2 1 328.422 3.956 20 0 EHADMP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000462811333 1037416958 /nfs/dbraw/zinc/41/69/58/1037416958.db2.gz MAVVIBDNCYPWGU-PMACEKPBSA-N 2 1 330.516 3.833 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000462806666 1037425319 /nfs/dbraw/zinc/42/53/19/1037425319.db2.gz JZRMZTSQMKQTEP-FVTFTPSCSA-N 2 1 342.527 3.692 20 0 EHADMP c1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](CC3CCCC3)CC1)CO2 ZINC000171051983 1037432169 /nfs/dbraw/zinc/43/21/69/1037432169.db2.gz KHQQPQNLQUCPJR-UHFFFAOYSA-N 2 1 326.484 3.707 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000181106487 1037433395 /nfs/dbraw/zinc/43/33/95/1037433395.db2.gz PWQYVGLVYPIRRO-OAHLLOKOSA-N 2 1 345.314 3.879 20 0 EHADMP Cc1cccc(CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000573321036 1037464552 /nfs/dbraw/zinc/46/45/52/1037464552.db2.gz ZNPZBMBSWZQIMF-OEWRPIJISA-N 2 1 337.511 3.679 20 0 EHADMP Cc1ccc(C(C)(C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1 ZINC000491487080 1037520312 /nfs/dbraw/zinc/52/03/12/1037520312.db2.gz QCMQIZFOJAUULH-UHFFFAOYSA-N 2 1 331.529 3.889 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000540139522 1037611867 /nfs/dbraw/zinc/61/18/67/1037611867.db2.gz AJVDPHFAYKLNBK-PBASOCQRSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000540139520 1037612835 /nfs/dbraw/zinc/61/28/35/1037612835.db2.gz AJVDPHFAYKLNBK-NRDMVMEKSA-N 2 1 330.516 3.692 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000540191246 1037659365 /nfs/dbraw/zinc/65/93/65/1037659365.db2.gz NOFLKNPAPDXPKT-GOEBONIOSA-N 2 1 344.952 3.671 20 0 EHADMP Cc1ccc(-c2cccc(C[NH2+]C3(CCO)CC[NH+](C)CC3)c2)cc1 ZINC000573625159 1037664254 /nfs/dbraw/zinc/66/42/54/1037664254.db2.gz XHLWRZMDTYBCLD-UHFFFAOYSA-N 2 1 338.495 3.598 20 0 EHADMP C[C@@H]1C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124049 1037778000 /nfs/dbraw/zinc/77/80/00/1037778000.db2.gz MDVCRVIEBVUCQG-HMXCVIKNSA-N 2 1 345.575 3.996 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875565 1037897144 /nfs/dbraw/zinc/89/71/44/1037897144.db2.gz SPVBVVACDJLWIO-GUTXKFCHSA-N 2 1 342.430 3.505 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875565 1037897160 /nfs/dbraw/zinc/89/71/60/1037897160.db2.gz SPVBVVACDJLWIO-GUTXKFCHSA-N 2 1 342.430 3.505 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccccc3)cc2)CC1 ZINC000173327133 1038037245 /nfs/dbraw/zinc/03/72/45/1038037245.db2.gz PVTRDIRFMRJBRC-LJQANCHMSA-N 2 1 337.511 3.675 20 0 EHADMP Cc1cccc(-c2noc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)c1 ZINC000123555787 1038037776 /nfs/dbraw/zinc/03/77/76/1038037776.db2.gz CJVCIYFWUFREOY-UHFFFAOYSA-N 2 1 342.487 3.599 20 0 EHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000123591195 1038042186 /nfs/dbraw/zinc/04/21/86/1038042186.db2.gz HOSWOUKTLYRCSW-MRXNPFEDSA-N 2 1 336.439 3.530 20 0 EHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000123591195 1038042208 /nfs/dbraw/zinc/04/22/08/1038042208.db2.gz HOSWOUKTLYRCSW-MRXNPFEDSA-N 2 1 336.439 3.530 20 0 EHADMP CCC(CC)[N@@H+]([C@H]1Cc2ccc(OC)cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168250841 1038140184 /nfs/dbraw/zinc/14/01/84/1038140184.db2.gz CXEVLFZNNFUJPO-IHPCNDPISA-N 2 1 330.516 3.923 20 0 EHADMP CSc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000549400218 1038167587 /nfs/dbraw/zinc/16/75/87/1038167587.db2.gz PWRVROUTEWLKCI-CALCHBBNSA-N 2 1 348.556 3.730 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125057786 1038273700 /nfs/dbraw/zinc/27/37/00/1038273700.db2.gz ATWAZKKFLAJQSE-NQIIRXRSSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000125057786 1038273711 /nfs/dbraw/zinc/27/37/11/1038273711.db2.gz ATWAZKKFLAJQSE-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000125057786 1038273726 /nfs/dbraw/zinc/27/37/26/1038273726.db2.gz ATWAZKKFLAJQSE-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125057786 1038273728 /nfs/dbraw/zinc/27/37/28/1038273728.db2.gz ATWAZKKFLAJQSE-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000538721366 1038489986 /nfs/dbraw/zinc/48/99/86/1038489986.db2.gz FKTNLIBVCKMXHI-LJQANCHMSA-N 2 1 348.531 3.894 20 0 EHADMP c1ccc2c(c1)snc2CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956839 1038502241 /nfs/dbraw/zinc/50/22/41/1038502241.db2.gz NLLSYLRRPZTODI-INIZCTEOSA-N 2 1 329.513 3.647 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956839 1038502246 /nfs/dbraw/zinc/50/22/46/1038502246.db2.gz NLLSYLRRPZTODI-INIZCTEOSA-N 2 1 329.513 3.647 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc3nccn32)C[N@H+]1Cc1ccccc1 ZINC000538753492 1038518634 /nfs/dbraw/zinc/51/86/34/1038518634.db2.gz QIVWOTNIVWFYAG-QUCCMNQESA-N 2 1 348.494 3.725 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1cn(C)cn1 ZINC000924672252 1038519278 /nfs/dbraw/zinc/51/92/78/1038519278.db2.gz DGISVWINSIUEDD-QGZVFWFLSA-N 2 1 326.488 3.503 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000378458989 1038640735 /nfs/dbraw/zinc/64/07/35/1038640735.db2.gz FLKHUEWBTQSIPS-HXUWFJFHSA-N 2 1 327.472 3.729 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1)CC(C)C ZINC000539099609 1038684892 /nfs/dbraw/zinc/68/48/92/1038684892.db2.gz KCJTUMQKBQDGRU-JOCHJYFZSA-N 2 1 346.559 3.670 20 0 EHADMP COc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)sn1 ZINC000660008331 1038691240 /nfs/dbraw/zinc/69/12/40/1038691240.db2.gz WNHPEEBMXXHAEN-OAHLLOKOSA-N 2 1 337.533 3.628 20 0 EHADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)sn1 ZINC000660008331 1038691244 /nfs/dbraw/zinc/69/12/44/1038691244.db2.gz WNHPEEBMXXHAEN-OAHLLOKOSA-N 2 1 337.533 3.628 20 0 EHADMP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183929725 1038758069 /nfs/dbraw/zinc/75/80/69/1038758069.db2.gz OVXROCKBDLRLSX-PCCBWWKXSA-N 2 1 344.543 3.939 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c2ccccn21 ZINC000668820329 1038836449 /nfs/dbraw/zinc/83/64/49/1038836449.db2.gz UFJNURXENBCRBN-GOSISDBHSA-N 2 1 340.515 3.669 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c2ccccn21 ZINC000668820329 1038836476 /nfs/dbraw/zinc/83/64/76/1038836476.db2.gz UFJNURXENBCRBN-GOSISDBHSA-N 2 1 340.515 3.669 20 0 EHADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c[nH]c21 ZINC000552047423 1038912513 /nfs/dbraw/zinc/91/25/13/1038912513.db2.gz MESZZJGAMPRGCX-VAMGGRTRSA-N 2 1 325.500 3.735 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000552047262 1038914746 /nfs/dbraw/zinc/91/47/46/1038914746.db2.gz GBMYULWLFDCRQY-DFQSSKMNSA-N 2 1 342.527 3.969 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089287 1039012988 /nfs/dbraw/zinc/01/29/88/1039012988.db2.gz OJUGXROTAKFGBI-UHFFFAOYSA-N 2 1 325.294 3.531 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552283899 1039136359 /nfs/dbraw/zinc/13/63/59/1039136359.db2.gz MCYNKCAPQAEIFL-KJJMTIBFSA-N 2 1 342.527 3.693 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000552280530 1039152230 /nfs/dbraw/zinc/15/22/30/1039152230.db2.gz KQGJYCRFSLDRQG-BHIYHBOVSA-N 2 1 328.500 3.579 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898517030 1039186554 /nfs/dbraw/zinc/18/65/54/1039186554.db2.gz HITMOJITDLTXEP-PLACYPQZSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCCOC1 ZINC000898517661 1039186987 /nfs/dbraw/zinc/18/69/87/1039186987.db2.gz BDPVQVPVWHDINM-SSXICUSMSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCOCC1 ZINC000898520022 1039192047 /nfs/dbraw/zinc/19/20/47/1039192047.db2.gz SMRGZSQODKNGLU-XGARDCMYSA-N 2 1 342.527 3.692 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCSCC4)C[C@@H]3C2)cc1 ZINC000898521986 1039198251 /nfs/dbraw/zinc/19/82/51/1039198251.db2.gz HCIBQOYMTAZOAB-NLWGTHIKSA-N 2 1 330.541 3.772 20 0 EHADMP CC(C)(C)CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512458187 1039223488 /nfs/dbraw/zinc/22/34/88/1039223488.db2.gz YYLWJCWQZBTANC-NRFANRHFSA-N 2 1 343.559 3.705 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906157157 1039326628 /nfs/dbraw/zinc/32/66/28/1039326628.db2.gz CJXJVHYUOXOGSU-APWZRJJASA-N 2 1 336.483 3.595 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)c1 ZINC000906158241 1039327117 /nfs/dbraw/zinc/32/71/17/1039327117.db2.gz KCDITSNXFNTLHV-APWZRJJASA-N 2 1 336.483 3.595 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000432811753 1039333287 /nfs/dbraw/zinc/33/32/87/1039333287.db2.gz FSURUWPXTQHTQP-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000432811753 1039333306 /nfs/dbraw/zinc/33/33/06/1039333306.db2.gz FSURUWPXTQHTQP-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000237683914 1039409052 /nfs/dbraw/zinc/40/90/52/1039409052.db2.gz ONKGIBYFGVLKJH-GOSISDBHSA-N 2 1 345.531 3.586 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2Cc3ccccc3C2)[C@H](C)C1 ZINC000552920029 1039635630 /nfs/dbraw/zinc/63/56/30/1039635630.db2.gz QRRGOASUQJRAAO-XMSQKQJNSA-N 2 1 344.543 3.518 20 0 EHADMP Cc1[nH]nc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000894016811 1039980922 /nfs/dbraw/zinc/98/09/22/1039980922.db2.gz ASEVQUFVRPEXLP-OAQYLSRUSA-N 2 1 338.499 3.515 20 0 EHADMP Cc1[nH]nc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000894016811 1039980935 /nfs/dbraw/zinc/98/09/35/1039980935.db2.gz ASEVQUFVRPEXLP-OAQYLSRUSA-N 2 1 338.499 3.515 20 0 EHADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c(C)c2c1 ZINC000480769949 1039990879 /nfs/dbraw/zinc/99/08/79/1039990879.db2.gz YUPGSGGKSZIAFH-CABCVRRESA-N 2 1 328.456 3.885 20 0 EHADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c(C)c2c1 ZINC000480769949 1039990887 /nfs/dbraw/zinc/99/08/87/1039990887.db2.gz YUPGSGGKSZIAFH-CABCVRRESA-N 2 1 328.456 3.885 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000489551314 1040068366 /nfs/dbraw/zinc/06/83/66/1040068366.db2.gz OHLUKPUQDORDTP-ZJOUEHCJSA-N 2 1 340.511 3.996 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc2cc(Br)ccc2o1 ZINC000401775411 1040144755 /nfs/dbraw/zinc/14/47/55/1040144755.db2.gz MNXAXYJRRYSRPZ-LLVKDONJSA-N 2 1 348.244 3.822 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000390286404 1040247002 /nfs/dbraw/zinc/24/70/02/1040247002.db2.gz NKQXVUPGVFOOEY-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000390286404 1040247011 /nfs/dbraw/zinc/24/70/11/1040247011.db2.gz NKQXVUPGVFOOEY-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463043 1040262115 /nfs/dbraw/zinc/26/21/15/1040262115.db2.gz HUYMYWWJNPKOCO-WIYYLYMNSA-N 2 1 336.479 3.794 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000481038420 1040302818 /nfs/dbraw/zinc/30/28/18/1040302818.db2.gz NNUNMTPMCWRFLH-CXAGYDPISA-N 2 1 342.405 3.894 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000481040220 1040303437 /nfs/dbraw/zinc/30/34/37/1040303437.db2.gz SGVARUHPHRZBEY-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000246343067 1040312065 /nfs/dbraw/zinc/31/20/65/1040312065.db2.gz JEJHAYOAWUXCOZ-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000246343067 1040312082 /nfs/dbraw/zinc/31/20/82/1040312082.db2.gz JEJHAYOAWUXCOZ-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246343067 1040312097 /nfs/dbraw/zinc/31/20/97/1040312097.db2.gz JEJHAYOAWUXCOZ-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246343067 1040312111 /nfs/dbraw/zinc/31/21/11/1040312111.db2.gz JEJHAYOAWUXCOZ-XLIONFOSSA-N 2 1 343.515 3.731 20 0 EHADMP c1cc2c(cc[nH+]c2N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000663905798 1040360544 /nfs/dbraw/zinc/36/05/44/1040360544.db2.gz LVKFXAWLMYLWPY-NRFANRHFSA-N 2 1 332.451 3.665 20 0 EHADMP CCCc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000479548323 1040360989 /nfs/dbraw/zinc/36/09/89/1040360989.db2.gz CSUMWUPBANRHRT-UHFFFAOYSA-N 2 1 338.495 3.761 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)[NH+]1CCCC1 ZINC000490173891 1040384047 /nfs/dbraw/zinc/38/40/47/1040384047.db2.gz YRMAIYMXEBAQOU-IAGOWNOFSA-N 2 1 325.500 3.798 20 0 EHADMP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167916593 1040593976 /nfs/dbraw/zinc/59/39/76/1040593976.db2.gz UGHOSXXGCCJTDW-UHFFFAOYSA-N 3 1 348.438 3.586 20 0 EHADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000481330433 1040696325 /nfs/dbraw/zinc/69/63/25/1040696325.db2.gz DNWUUBYLZJFGRY-UONOGXRCSA-N 2 1 340.895 3.740 20 0 EHADMP CC(C)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555615823 1040924418 /nfs/dbraw/zinc/92/44/18/1040924418.db2.gz CXDUPRSUWNKBBV-FPOVZHCZSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000481570151 1041090211 /nfs/dbraw/zinc/09/02/11/1041090211.db2.gz DRIJAFWTNKTTFB-FUHWJXTLSA-N 2 1 344.499 3.547 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000555801755 1041160712 /nfs/dbraw/zinc/16/07/12/1041160712.db2.gz ATKGSTPUECRQMM-INIZCTEOSA-N 2 1 326.406 3.869 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000571329241 1041267151 /nfs/dbraw/zinc/26/71/51/1041267151.db2.gz ZGELMMGXAGPSSI-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1Br ZINC000571329241 1041267167 /nfs/dbraw/zinc/26/71/67/1041267167.db2.gz ZGELMMGXAGPSSI-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Br ZINC000571329241 1041267182 /nfs/dbraw/zinc/26/71/82/1041267182.db2.gz ZGELMMGXAGPSSI-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Br ZINC000571329241 1041267196 /nfs/dbraw/zinc/26/71/96/1041267196.db2.gz ZGELMMGXAGPSSI-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000364450093 1041326737 /nfs/dbraw/zinc/32/67/37/1041326737.db2.gz TWPSBBWSGADHNI-JJRVBVJISA-N 2 1 340.389 3.789 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000390703980 1041333904 /nfs/dbraw/zinc/33/39/04/1041333904.db2.gz UOUCVMCKHBIDAY-FDFHNCONSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000390703980 1041333922 /nfs/dbraw/zinc/33/39/22/1041333922.db2.gz UOUCVMCKHBIDAY-FDFHNCONSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729031 1041393535 /nfs/dbraw/zinc/39/35/35/1041393535.db2.gz MQRBSAGDAWJLLG-DENIHFKCSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729031 1041393541 /nfs/dbraw/zinc/39/35/41/1041393541.db2.gz MQRBSAGDAWJLLG-DENIHFKCSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1sc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000299935473 1041640649 /nfs/dbraw/zinc/64/06/49/1041640649.db2.gz GSHSIVZMBWZUSJ-NEPJUHHUSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000299935473 1041640651 /nfs/dbraw/zinc/64/06/51/1041640651.db2.gz GSHSIVZMBWZUSJ-NEPJUHHUSA-N 2 1 329.307 3.535 20 0 EHADMP Cc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000299935473 1041640652 /nfs/dbraw/zinc/64/06/52/1041640652.db2.gz GSHSIVZMBWZUSJ-NEPJUHHUSA-N 2 1 329.307 3.535 20 0 EHADMP COc1ccc(-c2nc(C[NH2+]CCCC[N@@H+](C)C3CC3)cs2)cc1 ZINC000651600498 1041774997 /nfs/dbraw/zinc/77/49/97/1041774997.db2.gz XHIDGHFXAPGCJT-UHFFFAOYSA-N 2 1 345.512 3.783 20 0 EHADMP Cc1cccn2cc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)nc12 ZINC000045944278 1042184952 /nfs/dbraw/zinc/18/49/52/1042184952.db2.gz KZPZJVLKCNQYFQ-UHFFFAOYSA-N 2 1 340.515 3.731 20 0 EHADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000652222594 1042279020 /nfs/dbraw/zinc/27/90/20/1042279020.db2.gz SLBWLIZYGOBYSX-DKUWSORSSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652222594 1042279024 /nfs/dbraw/zinc/27/90/24/1042279024.db2.gz SLBWLIZYGOBYSX-DKUWSORSSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652222594 1042279030 /nfs/dbraw/zinc/27/90/30/1042279030.db2.gz SLBWLIZYGOBYSX-DKUWSORSSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000652222594 1042279037 /nfs/dbraw/zinc/27/90/37/1042279037.db2.gz SLBWLIZYGOBYSX-DKUWSORSSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000652222594 1042279043 /nfs/dbraw/zinc/27/90/43/1042279043.db2.gz SLBWLIZYGOBYSX-DKUWSORSSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652222594 1042279048 /nfs/dbraw/zinc/27/90/48/1042279048.db2.gz SLBWLIZYGOBYSX-DKUWSORSSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652222594 1042279051 /nfs/dbraw/zinc/27/90/51/1042279051.db2.gz SLBWLIZYGOBYSX-DKUWSORSSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)Sc1ccc(Br)cc1 ZINC000177321908 1042333907 /nfs/dbraw/zinc/33/39/07/1042333907.db2.gz ZLPBJYYWPZRSLM-GFCCVEGCSA-N 2 1 343.334 3.614 20 0 EHADMP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253389 1042636801 /nfs/dbraw/zinc/63/68/01/1042636801.db2.gz USYVSUJFBLDMJX-AEFFLSMTSA-N 2 1 342.508 3.832 20 0 EHADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662278675 1042651978 /nfs/dbraw/zinc/65/19/78/1042651978.db2.gz JTUYWBGLKULKOM-SFHVURJKSA-N 2 1 341.524 3.861 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662284909 1042658278 /nfs/dbraw/zinc/65/82/78/1042658278.db2.gz QOLVZSLBQRHAQW-XUVXKRRUSA-N 2 1 330.516 3.845 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297898 1042664760 /nfs/dbraw/zinc/66/47/60/1042664760.db2.gz STZUUOCCZFEYNF-UKRRQHHQSA-N 2 1 346.500 3.571 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297896 1042664789 /nfs/dbraw/zinc/66/47/89/1042664789.db2.gz STZUUOCCZFEYNF-HIFRSBDPSA-N 2 1 346.500 3.571 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344232 1042726667 /nfs/dbraw/zinc/72/66/67/1042726667.db2.gz PQRCANXUSRPCNV-YWFITGJYSA-N 2 1 342.527 3.948 20 0 EHADMP Oc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(C(F)(F)F)c1 ZINC000663343669 1042727856 /nfs/dbraw/zinc/72/78/56/1042727856.db2.gz ATLVIXKRZMDMKM-AWEZNQCLSA-N 2 1 342.405 3.623 20 0 EHADMP Oc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(C(F)(F)F)c1 ZINC000663343669 1042727858 /nfs/dbraw/zinc/72/78/58/1042727858.db2.gz ATLVIXKRZMDMKM-AWEZNQCLSA-N 2 1 342.405 3.623 20 0 EHADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347078 1042731995 /nfs/dbraw/zinc/73/19/95/1042731995.db2.gz ZCIOZJPJCHTPSS-MRXNPFEDSA-N 2 1 338.442 3.808 20 0 EHADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347078 1042732002 /nfs/dbraw/zinc/73/20/02/1042732002.db2.gz ZCIOZJPJCHTPSS-MRXNPFEDSA-N 2 1 338.442 3.808 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000663347171 1042732567 /nfs/dbraw/zinc/73/25/67/1042732567.db2.gz ZYPMEQWVQDHWHU-SYYKKAFVSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347171 1042732573 /nfs/dbraw/zinc/73/25/73/1042732573.db2.gz ZYPMEQWVQDHWHU-SYYKKAFVSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347171 1042732577 /nfs/dbraw/zinc/73/25/77/1042732577.db2.gz ZYPMEQWVQDHWHU-SYYKKAFVSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663347171 1042732580 /nfs/dbraw/zinc/73/25/80/1042732580.db2.gz ZYPMEQWVQDHWHU-SYYKKAFVSA-N 2 1 341.543 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347171 1042732584 /nfs/dbraw/zinc/73/25/84/1042732584.db2.gz ZYPMEQWVQDHWHU-SYYKKAFVSA-N 2 1 341.543 3.534 20 0 EHADMP c1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347623 1042737767 /nfs/dbraw/zinc/73/77/67/1042737767.db2.gz QMEFVKRYNZNZCB-IBGZPJMESA-N 2 1 328.500 3.687 20 0 EHADMP c1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347623 1042737773 /nfs/dbraw/zinc/73/77/73/1042737773.db2.gz QMEFVKRYNZNZCB-IBGZPJMESA-N 2 1 328.500 3.687 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000663404238 1042820675 /nfs/dbraw/zinc/82/06/75/1042820675.db2.gz DSTLMYLZULRECE-UHFFFAOYSA-N 2 1 329.410 3.965 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N2CCC(C[N@@H+](C)C(C)C)CC2)[nH+]1 ZINC000663404238 1042820680 /nfs/dbraw/zinc/82/06/80/1042820680.db2.gz DSTLMYLZULRECE-UHFFFAOYSA-N 2 1 329.410 3.965 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N2CCC(C[N@H+](C)C(C)C)CC2)[nH+]1 ZINC000663404238 1042820685 /nfs/dbraw/zinc/82/06/85/1042820685.db2.gz DSTLMYLZULRECE-UHFFFAOYSA-N 2 1 329.410 3.965 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)cc2)C1 ZINC000662675058 1042826469 /nfs/dbraw/zinc/82/64/69/1042826469.db2.gz IPFBSVOBINTOLT-INIZCTEOSA-N 2 1 341.499 3.532 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663465140 1042884608 /nfs/dbraw/zinc/88/46/08/1042884608.db2.gz IDQAEKWCOKAPFR-ZFWWWQNUSA-N 2 1 337.895 3.516 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663465140 1042884610 /nfs/dbraw/zinc/88/46/10/1042884610.db2.gz IDQAEKWCOKAPFR-ZFWWWQNUSA-N 2 1 337.895 3.516 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467384 1042889120 /nfs/dbraw/zinc/88/91/20/1042889120.db2.gz FFWBNFZLCSCAGE-QFBILLFUSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467384 1042889129 /nfs/dbraw/zinc/88/91/29/1042889129.db2.gz FFWBNFZLCSCAGE-QFBILLFUSA-N 2 1 332.463 3.751 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001167826915 1042962843 /nfs/dbraw/zinc/96/28/43/1042962843.db2.gz RVFUICYZOGVAFK-ILWGZMRPSA-N 3 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167826915 1042962848 /nfs/dbraw/zinc/96/28/48/1042962848.db2.gz RVFUICYZOGVAFK-ILWGZMRPSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167826915 1042962852 /nfs/dbraw/zinc/96/28/52/1042962852.db2.gz RVFUICYZOGVAFK-ILWGZMRPSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001167826915 1042962853 /nfs/dbraw/zinc/96/28/53/1042962853.db2.gz RVFUICYZOGVAFK-ILWGZMRPSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001167826915 1042962855 /nfs/dbraw/zinc/96/28/55/1042962855.db2.gz RVFUICYZOGVAFK-ILWGZMRPSA-N 2 1 343.559 3.561 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC001167827292 1042968185 /nfs/dbraw/zinc/96/81/85/1042968185.db2.gz VRLXMHIWMREBFL-GOSISDBHSA-N 2 1 334.504 3.562 20 0 EHADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278928251 1042973624 /nfs/dbraw/zinc/97/36/24/1042973624.db2.gz ISXRWBLWKTXATP-KGLIPLIRSA-N 2 1 325.412 3.551 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432368275 1043010395 /nfs/dbraw/zinc/01/03/95/1043010395.db2.gz PHPGGPSAKCNPAW-HJUDDPQBSA-N 2 1 336.907 3.834 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001167835874 1043038873 /nfs/dbraw/zinc/03/88/73/1043038873.db2.gz VCDFTPZRNBDIJC-RBUKOAKNSA-N 2 1 333.520 3.744 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001167836600 1043042479 /nfs/dbraw/zinc/04/24/79/1043042479.db2.gz FQNVMEPYTODLPF-FXAWDEMLSA-N 2 1 336.495 3.884 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCCO1 ZINC000432417018 1043142039 /nfs/dbraw/zinc/14/20/39/1043142039.db2.gz JYVISAUXVKRENM-NRSPTQNISA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCCO1 ZINC000432417018 1043142044 /nfs/dbraw/zinc/14/20/44/1043142044.db2.gz JYVISAUXVKRENM-NRSPTQNISA-N 2 1 330.516 3.803 20 0 EHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344178172 1043373234 /nfs/dbraw/zinc/37/32/34/1043373234.db2.gz VDSDTTPTUVIQFW-JOCHJYFZSA-N 2 1 343.559 3.781 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000344247353 1043512406 /nfs/dbraw/zinc/51/24/06/1043512406.db2.gz PEDCOKAUAWALMY-MBPVOVBZSA-N 2 1 343.515 3.544 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000344296291 1043611629 /nfs/dbraw/zinc/61/16/29/1043611629.db2.gz BEUSBTFWUOHQLL-CYBMUJFWSA-N 2 1 328.366 3.705 20 0 EHADMP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512250703 1044399245 /nfs/dbraw/zinc/39/92/45/1044399245.db2.gz DRVDJMSVHFTFBK-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512250703 1044399261 /nfs/dbraw/zinc/39/92/61/1044399261.db2.gz DRVDJMSVHFTFBK-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512250703 1044399276 /nfs/dbraw/zinc/39/92/76/1044399276.db2.gz DRVDJMSVHFTFBK-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP COc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512250703 1044399293 /nfs/dbraw/zinc/39/92/93/1044399293.db2.gz DRVDJMSVHFTFBK-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000344777198 1044409903 /nfs/dbraw/zinc/40/99/03/1044409903.db2.gz PTLPKXBRBXJITF-VQTJNVASSA-N 2 1 339.483 3.623 20 0 EHADMP C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573300 1044477680 /nfs/dbraw/zinc/47/76/80/1044477680.db2.gz MEPBSLVXIBAJDC-DESBSMFKSA-N 2 1 335.495 3.631 20 0 EHADMP CC[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(Cl)s1 ZINC000925843418 1044578544 /nfs/dbraw/zinc/57/85/44/1044578544.db2.gz FSVJURBDYWCXLM-AWEZNQCLSA-N 2 1 329.941 3.518 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000154479959 1125721029 /nfs/dbraw/zinc/72/10/29/1125721029.db2.gz HRMRMNBLTPBGCN-QGZVFWFLSA-N 2 1 349.588 3.695 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071542 1126839166 /nfs/dbraw/zinc/83/91/66/1126839166.db2.gz ROTZLIYILROQMH-SBHAEUEKSA-N 2 1 330.516 3.864 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000671295903 1126872988 /nfs/dbraw/zinc/87/29/88/1126872988.db2.gz HMOZRCCGWDUFCO-AYOQOUSVSA-N 2 1 327.472 3.663 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344047 1126922746 /nfs/dbraw/zinc/92/27/46/1126922746.db2.gz VIMZRCVUOXYBMR-HXUWFJFHSA-N 2 1 329.532 3.635 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344047 1126922750 /nfs/dbraw/zinc/92/27/50/1126922750.db2.gz VIMZRCVUOXYBMR-HXUWFJFHSA-N 3 1 329.532 3.635 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1(C)C ZINC000623344047 1126922752 /nfs/dbraw/zinc/92/27/52/1126922752.db2.gz VIMZRCVUOXYBMR-HXUWFJFHSA-N 3 1 329.532 3.635 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC1(C)C ZINC000623356978 1126928430 /nfs/dbraw/zinc/92/84/30/1126928430.db2.gz RPSVFTCWFXIYIT-LJQANCHMSA-N 2 1 342.483 3.959 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)CC1(C)C ZINC000623361809 1126930316 /nfs/dbraw/zinc/93/03/16/1126930316.db2.gz QNVLXYKSOZJMGH-KRWDZBQOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1(C)C ZINC000623361809 1126930318 /nfs/dbraw/zinc/93/03/18/1126930318.db2.gz QNVLXYKSOZJMGH-KRWDZBQOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1(C)C ZINC000623361809 1126930322 /nfs/dbraw/zinc/93/03/22/1126930322.db2.gz QNVLXYKSOZJMGH-KRWDZBQOSA-N 2 1 343.446 3.975 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623384275 1126938943 /nfs/dbraw/zinc/93/89/43/1126938943.db2.gz VHXLMMZTPDRVKN-ZDUSSCGKSA-N 2 1 348.384 3.587 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623384275 1126938947 /nfs/dbraw/zinc/93/89/47/1126938947.db2.gz VHXLMMZTPDRVKN-ZDUSSCGKSA-N 2 1 348.384 3.587 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443671 1126957306 /nfs/dbraw/zinc/95/73/06/1126957306.db2.gz IUKUUUXXCCKQGS-YJBOKZPZSA-N 2 1 326.488 3.704 20 0 EHADMP C[N@H+]1CC[C@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC1(C)C ZINC000623497115 1126971008 /nfs/dbraw/zinc/97/10/08/1126971008.db2.gz XYNKHALDDYILOE-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@H](NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC000623497115 1126971011 /nfs/dbraw/zinc/97/10/11/1126971011.db2.gz XYNKHALDDYILOE-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@H](NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1(C)C ZINC000623497115 1126971015 /nfs/dbraw/zinc/97/10/15/1126971015.db2.gz XYNKHALDDYILOE-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497115 1126971016 /nfs/dbraw/zinc/97/10/16/1126971016.db2.gz XYNKHALDDYILOE-FPOVZHCZSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000073051459 1126992272 /nfs/dbraw/zinc/99/22/72/1126992272.db2.gz ZLDQGQODHAUMBD-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP Cc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000623607319 1126994999 /nfs/dbraw/zinc/99/49/99/1126994999.db2.gz CCYCUQIEKNYQAZ-FQEVSTJZSA-N 2 1 336.479 3.553 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCCCO1 ZINC000623898697 1127209598 /nfs/dbraw/zinc/20/95/98/1127209598.db2.gz OQAYLEFVDIKWHO-UWJYYQICSA-N 2 1 342.483 3.959 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CC[NH+](C)C(C)(C)C3)c2)C[C@H](C)O1 ZINC000623941517 1127219692 /nfs/dbraw/zinc/21/96/92/1127219692.db2.gz VCVCRQMACXOZJR-FUHIMQAGSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)c2)C[C@H](C)O1 ZINC000623941517 1127219694 /nfs/dbraw/zinc/21/96/94/1127219694.db2.gz VCVCRQMACXOZJR-FUHIMQAGSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)C[C@H](C)O1 ZINC000623941517 1127219696 /nfs/dbraw/zinc/21/96/96/1127219696.db2.gz VCVCRQMACXOZJR-FUHIMQAGSA-N 2 1 345.531 3.581 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124108 1127256463 /nfs/dbraw/zinc/25/64/63/1127256463.db2.gz XJJYZESAFYQKRJ-CJNGLKHVSA-N 2 1 341.421 3.799 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123240 1127256706 /nfs/dbraw/zinc/25/67/06/1127256706.db2.gz IJGWCANKZXAZJZ-HOCLYGCPSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC3 ZINC000624122733 1127256732 /nfs/dbraw/zinc/25/67/32/1127256732.db2.gz ZSTSHYMLVHDMLT-SJORKVTESA-N 2 1 325.500 3.655 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCCS2 ZINC000624123639 1127256837 /nfs/dbraw/zinc/25/68/37/1127256837.db2.gz PRMHGPZOBGYMBR-QAPCUYQASA-N 2 1 334.529 3.944 20 0 EHADMP Cn1c2ccccc2nc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000624189186 1127281141 /nfs/dbraw/zinc/28/11/41/1127281141.db2.gz NZULFYKUWXMQTK-UHFFFAOYSA-N 2 1 340.515 3.661 20 0 EHADMP COc1ccc(OCCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758866 1127431180 /nfs/dbraw/zinc/43/11/80/1127431180.db2.gz FUVOFRWECQSSPN-MSOLQXFVSA-N 2 1 346.515 3.707 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383441215 1127543033 /nfs/dbraw/zinc/54/30/33/1127543033.db2.gz DSIAVLYVYPLZQR-YJBOKZPZSA-N 2 1 330.422 3.965 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1 ZINC000765257205 1127590157 /nfs/dbraw/zinc/59/01/57/1127590157.db2.gz XTFDKHOEYVPAMV-SJORKVTESA-N 2 1 326.488 3.706 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OCC)c2)[C@H](C)C1 ZINC000765456643 1127613826 /nfs/dbraw/zinc/61/38/26/1127613826.db2.gz TTXWPMJJZRUWGS-OPYAIIAOSA-N 2 1 348.531 3.873 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC)c2)[C@@H](C)C1 ZINC000765456645 1127613947 /nfs/dbraw/zinc/61/39/47/1127613947.db2.gz TTXWPMJJZRUWGS-WFXMLNOXSA-N 2 1 348.531 3.873 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000921527243 1127669219 /nfs/dbraw/zinc/66/92/19/1127669219.db2.gz KAJTYISJDSGSMW-UHFFFAOYSA-N 2 1 326.488 3.738 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cnn(C4CCC4)c3)C2)c1 ZINC000921630362 1127900661 /nfs/dbraw/zinc/90/06/61/1127900661.db2.gz RMBFVIQVUCVKHR-INIZCTEOSA-N 2 1 344.528 3.671 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cnn(C4CCC4)c3)C2)c1 ZINC000921630362 1127900664 /nfs/dbraw/zinc/90/06/64/1127900664.db2.gz RMBFVIQVUCVKHR-INIZCTEOSA-N 2 1 344.528 3.671 20 0 EHADMP COc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC(C)C ZINC000060978601 1128117172 /nfs/dbraw/zinc/11/71/72/1128117172.db2.gz SGKDJKKUJUBCRM-HDICACEKSA-N 2 1 348.531 3.940 20 0 EHADMP COc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC(C)C ZINC000060978601 1128117173 /nfs/dbraw/zinc/11/71/73/1128117173.db2.gz SGKDJKKUJUBCRM-HDICACEKSA-N 2 1 348.531 3.940 20 0 EHADMP Clc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCCC2 ZINC000765793218 1128369971 /nfs/dbraw/zinc/36/99/71/1128369971.db2.gz WMKOXVLRZBLMNN-ZHALLVOQSA-N 2 1 334.891 3.560 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655834939 1128492042 /nfs/dbraw/zinc/49/20/42/1128492042.db2.gz HSQFJGMLJMTLMO-AGOPTVSRSA-N 2 1 335.495 3.798 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282306688 1128639314 /nfs/dbraw/zinc/63/93/14/1128639314.db2.gz SAFNHUSGBRYMQC-INIZCTEOSA-N 2 1 346.544 3.750 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)[C@H]1c1cccs1 ZINC000921775135 1128753126 /nfs/dbraw/zinc/75/31/26/1128753126.db2.gz BMGVTASFHGZZDA-KXBFYZLASA-N 2 1 344.528 3.842 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)[C@H]1c1cccs1 ZINC000921775135 1128753129 /nfs/dbraw/zinc/75/31/29/1128753129.db2.gz BMGVTASFHGZZDA-KXBFYZLASA-N 2 1 344.528 3.842 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378174 1120712366 /nfs/dbraw/zinc/71/23/66/1120712366.db2.gz QXTIXYDJFRDJTB-MOPGFXCFSA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378174 1120712371 /nfs/dbraw/zinc/71/23/71/1120712371.db2.gz QXTIXYDJFRDJTB-MOPGFXCFSA-N 2 1 340.515 3.891 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3sccc3Cl)CC2)C[C@H](C)O1 ZINC000194359073 1120838319 /nfs/dbraw/zinc/83/83/19/1120838319.db2.gz WMUFTHBSHHTGGD-OKILXGFUSA-N 2 1 342.936 3.723 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000494886097 1120894904 /nfs/dbraw/zinc/89/49/04/1120894904.db2.gz MCMZAUHZAZITJC-WMZOPIPTSA-N 2 1 333.524 3.670 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2OC(F)F)[C@@H](C)C1 ZINC000660081790 1120896164 /nfs/dbraw/zinc/89/61/64/1120896164.db2.gz IPWQUEPUCQPDAW-SWLSCSKDSA-N 2 1 330.394 3.589 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000762926377 1121526030 /nfs/dbraw/zinc/52/60/30/1121526030.db2.gz QFMYFZGTMQJPBL-LEWJYISDSA-N 2 1 341.499 3.950 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000762926377 1121526033 /nfs/dbraw/zinc/52/60/33/1121526033.db2.gz QFMYFZGTMQJPBL-LEWJYISDSA-N 2 1 341.499 3.950 20 0 EHADMP COc1ccccc1CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125494449 1122318353 /nfs/dbraw/zinc/31/83/53/1122318353.db2.gz RYCUPBSGIMYRPF-UHFFFAOYSA-N 2 1 341.499 3.935 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881305 1122449667 /nfs/dbraw/zinc/44/96/67/1122449667.db2.gz MIGOFUUJJKCHMG-DOTOQJQBSA-N 2 1 336.545 3.896 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881305 1122449669 /nfs/dbraw/zinc/44/96/69/1122449669.db2.gz MIGOFUUJJKCHMG-DOTOQJQBSA-N 2 1 336.545 3.896 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)[nH+]1 ZINC000497385025 1122539847 /nfs/dbraw/zinc/53/98/47/1122539847.db2.gz LKSQXMVBJQKAFN-YSIASYRMSA-N 2 1 343.515 3.544 20 0 EHADMP c1[nH]nc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc12 ZINC000131088001 1123039016 /nfs/dbraw/zinc/03/90/16/1123039016.db2.gz XPHSRQLQRAEHFG-SFHVURJKSA-N 2 1 326.488 3.651 20 0 EHADMP c1[nH]nc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc12 ZINC000131088001 1123039020 /nfs/dbraw/zinc/03/90/20/1123039020.db2.gz XPHSRQLQRAEHFG-SFHVURJKSA-N 2 1 326.488 3.651 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)[C@H]1c1cccs1 ZINC000556872526 1123162075 /nfs/dbraw/zinc/16/20/75/1123162075.db2.gz YWFJZWAVLNSYBB-VKESLTNKSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]2CCC[C@@H]21 ZINC000556872526 1123162076 /nfs/dbraw/zinc/16/20/76/1123162076.db2.gz YWFJZWAVLNSYBB-VKESLTNKSA-N 2 1 347.572 3.593 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]2CCC[C@@H]21 ZINC000556872526 1123162077 /nfs/dbraw/zinc/16/20/77/1123162077.db2.gz YWFJZWAVLNSYBB-VKESLTNKSA-N 2 1 347.572 3.593 20 0 EHADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499239382 1123291106 /nfs/dbraw/zinc/29/11/06/1123291106.db2.gz JBFDFUXAPGLNFW-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499239382 1123291111 /nfs/dbraw/zinc/29/11/11/1123291111.db2.gz JBFDFUXAPGLNFW-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499239382 1123291114 /nfs/dbraw/zinc/29/11/14/1123291114.db2.gz JBFDFUXAPGLNFW-MZADTFQBSA-N 2 1 329.532 3.504 20 0 EHADMP CC[N@H+](Cc1ccc(F)cc1)CC1CCN(c2ccccn2)CC1 ZINC000076108776 1123468329 /nfs/dbraw/zinc/46/83/29/1123468329.db2.gz WQOFGXKQOLDKII-UHFFFAOYSA-N 2 1 327.447 3.959 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137117155 1123750801 /nfs/dbraw/zinc/75/08/01/1123750801.db2.gz WCBNAXLRJBQAOO-ZDUSSCGKSA-N 2 1 345.712 3.922 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000237550343 1123767435 /nfs/dbraw/zinc/76/74/35/1123767435.db2.gz KUDZNJVKJIRCLQ-GFCCVEGCSA-N 2 1 327.350 3.516 20 0 EHADMP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000245433172 1123825869 /nfs/dbraw/zinc/82/58/69/1123825869.db2.gz PADJJJHFKNVISX-OXJNMPFZSA-N 2 1 330.516 3.977 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000245433172 1123825873 /nfs/dbraw/zinc/82/58/73/1123825873.db2.gz PADJJJHFKNVISX-OXJNMPFZSA-N 2 1 330.516 3.977 20 0 EHADMP FC(F)(F)[C@@H]1CCCN(CCC[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246810239 1124550679 /nfs/dbraw/zinc/55/06/79/1124550679.db2.gz APIGTFMISQVUAA-CHWSQXEVSA-N 2 1 346.359 3.925 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@@H](C)C1 ZINC000246874735 1124561876 /nfs/dbraw/zinc/56/18/76/1124561876.db2.gz CUNZJRDAIGIIGR-LPHOPBHVSA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)[C@@H](C)C1 ZINC000246874735 1124561886 /nfs/dbraw/zinc/56/18/86/1124561886.db2.gz CUNZJRDAIGIIGR-LPHOPBHVSA-N 2 1 331.504 3.613 20 0 EHADMP Fc1ccc(SCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247049363 1124581734 /nfs/dbraw/zinc/58/17/34/1124581734.db2.gz ZFUIDVWPFSLXEC-KXBFYZLASA-N 2 1 334.504 3.867 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589327 /nfs/dbraw/zinc/58/93/27/1124589327.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589332 /nfs/dbraw/zinc/58/93/32/1124589332.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589340 /nfs/dbraw/zinc/58/93/40/1124589340.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589347 /nfs/dbraw/zinc/58/93/47/1124589347.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589353 /nfs/dbraw/zinc/58/93/53/1124589353.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589358 /nfs/dbraw/zinc/58/93/58/1124589358.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589363 /nfs/dbraw/zinc/58/93/63/1124589363.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589367 /nfs/dbraw/zinc/58/93/67/1124589367.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247114158 1124589369 /nfs/dbraw/zinc/58/93/69/1124589369.db2.gz QTJQJKBRQMRHQH-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000247160744 1124592274 /nfs/dbraw/zinc/59/22/74/1124592274.db2.gz UDQSWBGSCUKDJY-BMQTXXJKSA-N 2 1 330.516 3.679 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000247213304 1124595743 /nfs/dbraw/zinc/59/57/43/1124595743.db2.gz XBVCYBGEEJNTEB-WBVHZDCISA-N 2 1 344.478 3.702 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000247213304 1124595745 /nfs/dbraw/zinc/59/57/45/1124595745.db2.gz XBVCYBGEEJNTEB-WBVHZDCISA-N 2 1 344.478 3.702 20 0 EHADMP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)on2)cc1 ZINC000248173762 1124644373 /nfs/dbraw/zinc/64/43/73/1124644373.db2.gz VGBVHOASJRVUSI-PXNSSMCTSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)on2)cc1 ZINC000248173762 1124644379 /nfs/dbraw/zinc/64/43/79/1124644379.db2.gz VGBVHOASJRVUSI-PXNSSMCTSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000248173762 1124644382 /nfs/dbraw/zinc/64/43/82/1124644382.db2.gz VGBVHOASJRVUSI-PXNSSMCTSA-N 2 1 325.456 3.566 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000248173762 1124644388 /nfs/dbraw/zinc/64/43/88/1124644388.db2.gz VGBVHOASJRVUSI-PXNSSMCTSA-N 2 1 325.456 3.566 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC[C@@H]3C)cc2)C1 ZINC000249153587 1124742195 /nfs/dbraw/zinc/74/21/95/1124742195.db2.gz VRJDMJLHCASJNV-NYUBLWNDSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000353621290 1124982874 /nfs/dbraw/zinc/98/28/74/1124982874.db2.gz LQAAYCCJGTZWBW-YVWKXTFCSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3[nH]ncc32)C[N@@H+]1Cc1ccccc1 ZINC000353621290 1124982878 /nfs/dbraw/zinc/98/28/78/1124982878.db2.gz LQAAYCCJGTZWBW-YVWKXTFCSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3[nH]ncc32)C[N@H+]1Cc1ccccc1 ZINC000353621290 1124982880 /nfs/dbraw/zinc/98/28/80/1124982880.db2.gz LQAAYCCJGTZWBW-YVWKXTFCSA-N 2 1 338.499 3.677 20 0 EHADMP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000681388567 1129184583 /nfs/dbraw/zinc/18/45/83/1129184583.db2.gz STUCGVXTHCCCRW-HNNXBMFYSA-N 2 1 346.272 3.555 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000681388567 1129184585 /nfs/dbraw/zinc/18/45/85/1129184585.db2.gz STUCGVXTHCCCRW-HNNXBMFYSA-N 2 1 346.272 3.555 20 0 EHADMP Cc1c([C@@H](C)NCC[C@@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473389 1129510738 /nfs/dbraw/zinc/51/07/38/1129510738.db2.gz GFAITRLENLKYAL-QAPCUYQASA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473389 1129510743 /nfs/dbraw/zinc/51/07/43/1129510743.db2.gz GFAITRLENLKYAL-QAPCUYQASA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473389 1129510747 /nfs/dbraw/zinc/51/07/47/1129510747.db2.gz GFAITRLENLKYAL-QAPCUYQASA-N 2 1 344.478 3.845 20 0 EHADMP CCCc1nc(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000428960246 1129639780 /nfs/dbraw/zinc/63/97/80/1129639780.db2.gz BAPXWOBLSQLTHL-UHFFFAOYSA-N 2 1 342.487 3.848 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000282381327 1129672811 /nfs/dbraw/zinc/67/28/11/1129672811.db2.gz XACQZSBBCOUJAH-HZEGPAAWSA-N 2 1 330.516 3.834 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000282381327 1129672812 /nfs/dbraw/zinc/67/28/12/1129672812.db2.gz XACQZSBBCOUJAH-HZEGPAAWSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817669 1129680439 /nfs/dbraw/zinc/68/04/39/1129680439.db2.gz VQGFOHFIBPWOLP-PMACEKPBSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCO1 ZINC000922817669 1129680440 /nfs/dbraw/zinc/68/04/40/1129680440.db2.gz VQGFOHFIBPWOLP-PMACEKPBSA-N 2 1 328.500 3.732 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2CC)cc1 ZINC000347778088 1129743367 /nfs/dbraw/zinc/74/33/67/1129743367.db2.gz NKLBCYAEQJDTPW-FQEVSTJZSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000347778088 1129743371 /nfs/dbraw/zinc/74/33/71/1129743371.db2.gz NKLBCYAEQJDTPW-FQEVSTJZSA-N 2 1 345.531 3.523 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000347778088 1129743375 /nfs/dbraw/zinc/74/33/75/1129743375.db2.gz NKLBCYAEQJDTPW-FQEVSTJZSA-N 2 1 345.531 3.523 20 0 EHADMP CC(=O)Nc1cccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000631083003 1129899906 /nfs/dbraw/zinc/89/99/06/1129899906.db2.gz MEYZGQUMOFJCHA-QGZVFWFLSA-N 2 1 339.483 3.645 20 0 EHADMP CC(=O)Nc1cccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000631083003 1129899910 /nfs/dbraw/zinc/89/99/10/1129899910.db2.gz MEYZGQUMOFJCHA-QGZVFWFLSA-N 2 1 339.483 3.645 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@H]2CCC[C@@H]21 ZINC000658070243 1130119051 /nfs/dbraw/zinc/11/90/51/1130119051.db2.gz WJBLPDZZDWZQBB-NBMJBFSESA-N 2 1 347.934 3.629 20 0 EHADMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658141412 1130194067 /nfs/dbraw/zinc/19/40/67/1130194067.db2.gz XBXUJGSYCJZZRK-VQTJNVASSA-N 2 1 344.524 3.946 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1[nH]nc2ccccc21 ZINC000675478489 1130399957 /nfs/dbraw/zinc/39/99/57/1130399957.db2.gz YZFOKIOXIVCQAH-IAGOWNOFSA-N 2 1 348.494 3.809 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310851044 1130412236 /nfs/dbraw/zinc/41/22/36/1130412236.db2.gz PPYHJEUODDAVGW-TYPHKJRUSA-N 2 1 342.527 3.978 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000675493421 1130413989 /nfs/dbraw/zinc/41/39/89/1130413989.db2.gz ICQJELFQWWPVPM-ACRUOGEOSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000675493421 1130413991 /nfs/dbraw/zinc/41/39/91/1130413991.db2.gz ICQJELFQWWPVPM-ACRUOGEOSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000675493421 1130413994 /nfs/dbraw/zinc/41/39/94/1130413994.db2.gz ICQJELFQWWPVPM-ACRUOGEOSA-N 2 1 330.516 3.961 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779831 1130472204 /nfs/dbraw/zinc/47/22/04/1130472204.db2.gz JOKWUIZTIWJHLV-AUSIDOKSSA-N 2 1 349.522 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779831 1130472209 /nfs/dbraw/zinc/47/22/09/1130472209.db2.gz JOKWUIZTIWJHLV-AUSIDOKSSA-N 2 1 349.522 3.502 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222214 1130547392 /nfs/dbraw/zinc/54/73/92/1130547392.db2.gz FXZRKUQNEMMZBI-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222214 1130547394 /nfs/dbraw/zinc/54/73/94/1130547394.db2.gz FXZRKUQNEMMZBI-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222214 1130547399 /nfs/dbraw/zinc/54/73/99/1130547399.db2.gz FXZRKUQNEMMZBI-GOEBONIOSA-N 2 1 328.378 3.501 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883327 1131552955 /nfs/dbraw/zinc/55/29/55/1131552955.db2.gz NLWKZWQYTAUFQQ-SJLPKXTDSA-N 2 1 342.483 3.714 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883327 1131552960 /nfs/dbraw/zinc/55/29/60/1131552960.db2.gz NLWKZWQYTAUFQQ-SJLPKXTDSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883327 1131552963 /nfs/dbraw/zinc/55/29/63/1131552963.db2.gz NLWKZWQYTAUFQQ-SJLPKXTDSA-N 2 1 342.483 3.714 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883327 1131552965 /nfs/dbraw/zinc/55/29/65/1131552965.db2.gz NLWKZWQYTAUFQQ-SJLPKXTDSA-N 2 1 342.483 3.714 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886383 1131553799 /nfs/dbraw/zinc/55/37/99/1131553799.db2.gz QBUJEDXZZYRMRT-CRAIPNDOSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886383 1131553803 /nfs/dbraw/zinc/55/38/03/1131553803.db2.gz QBUJEDXZZYRMRT-CRAIPNDOSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886383 1131553807 /nfs/dbraw/zinc/55/38/07/1131553807.db2.gz QBUJEDXZZYRMRT-CRAIPNDOSA-N 2 1 342.483 3.660 20 0 EHADMP CCc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](CC)[C@H](C)C3)cc(=O)oc2c1 ZINC000740886383 1131553812 /nfs/dbraw/zinc/55/38/12/1131553812.db2.gz QBUJEDXZZYRMRT-CRAIPNDOSA-N 2 1 342.483 3.660 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172469818 1131732884 /nfs/dbraw/zinc/73/28/84/1131732884.db2.gz USEUQWAVZQYDRY-SVFBPWRDSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172469818 1131732889 /nfs/dbraw/zinc/73/28/89/1131732889.db2.gz USEUQWAVZQYDRY-SVFBPWRDSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)COCC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172470088 1131733601 /nfs/dbraw/zinc/73/36/01/1131733601.db2.gz CDLKRJXMKVBKTB-IHPCNDPISA-N 2 1 333.520 3.605 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3[nH+]cccc3C)CC1)CC2 ZINC001172841605 1131865953 /nfs/dbraw/zinc/86/59/53/1131865953.db2.gz IDXRUSXLEDGTJW-NRFANRHFSA-N 2 1 335.495 3.814 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001172925287 1131906945 /nfs/dbraw/zinc/90/69/45/1131906945.db2.gz DRDWLMMZBPNJIX-ZOWQKVPBSA-N 2 1 348.490 3.521 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172945460 1131915771 /nfs/dbraw/zinc/91/57/71/1131915771.db2.gz PZVBKKDYJPQIDQ-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945460 1131915779 /nfs/dbraw/zinc/91/57/79/1131915779.db2.gz PZVBKKDYJPQIDQ-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945460 1131915785 /nfs/dbraw/zinc/91/57/85/1131915785.db2.gz PZVBKKDYJPQIDQ-NJYVYQBISA-N 2 1 328.500 3.542 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC1 ZINC001173107983 1131968965 /nfs/dbraw/zinc/96/89/65/1131968965.db2.gz AAWJETVUNQAVMU-OFLPRAFFSA-N 2 1 340.508 3.665 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173136134 1131977267 /nfs/dbraw/zinc/97/72/67/1131977267.db2.gz PGMWDPUIIPRZCD-BPQIPLTHSA-N 2 1 341.524 3.501 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173136134 1131977272 /nfs/dbraw/zinc/97/72/72/1131977272.db2.gz PGMWDPUIIPRZCD-BPQIPLTHSA-N 2 1 341.524 3.501 20 0 EHADMP COc1cccc2c1C[C@H]([N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173159487 1131988522 /nfs/dbraw/zinc/98/85/22/1131988522.db2.gz JJODNIUMYLTNHQ-ULQDDVLXSA-N 2 1 346.515 3.617 20 0 EHADMP CCSC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001173308043 1132035991 /nfs/dbraw/zinc/03/59/91/1132035991.db2.gz KUAUQXSCCHUHDM-SXLOBPIMSA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001173308043 1132036000 /nfs/dbraw/zinc/03/60/00/1132036000.db2.gz KUAUQXSCCHUHDM-SXLOBPIMSA-N 2 1 332.557 3.972 20 0 EHADMP CCSC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001173308043 1132036005 /nfs/dbraw/zinc/03/60/05/1132036005.db2.gz KUAUQXSCCHUHDM-SXLOBPIMSA-N 2 1 332.557 3.972 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000744404611 1132090114 /nfs/dbraw/zinc/09/01/14/1132090114.db2.gz ULUZWHWQMYULSE-PZJWPPBQSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000744404611 1132090121 /nfs/dbraw/zinc/09/01/21/1132090121.db2.gz ULUZWHWQMYULSE-PZJWPPBQSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404611 1132090129 /nfs/dbraw/zinc/09/01/29/1132090129.db2.gz ULUZWHWQMYULSE-PZJWPPBQSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404611 1132090138 /nfs/dbraw/zinc/09/01/38/1132090138.db2.gz ULUZWHWQMYULSE-PZJWPPBQSA-N 2 1 332.532 3.914 20 0 EHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001173782762 1132146443 /nfs/dbraw/zinc/14/64/43/1132146443.db2.gz LGAVYLANVGHQCK-SYYJFZTOSA-N 2 1 344.499 3.712 20 0 EHADMP c1ccc2c(Nc3ccc(OCC[NH+]4CCCC4)cc3)cc[nH+]c2c1 ZINC001174038168 1132222704 /nfs/dbraw/zinc/22/27/04/1132222704.db2.gz HFFIAJJPTRGVCY-UHFFFAOYSA-N 2 1 333.435 3.875 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001169093084 1132652466 /nfs/dbraw/zinc/65/24/66/1132652466.db2.gz FLQATVANHAGZLY-KKOKHZNYSA-N 2 1 329.307 3.786 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001169093084 1132652467 /nfs/dbraw/zinc/65/24/67/1132652467.db2.gz FLQATVANHAGZLY-KKOKHZNYSA-N 2 1 329.307 3.786 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ccnc(F)c3)c(F)c1)C2 ZINC001169098466 1132654286 /nfs/dbraw/zinc/65/42/86/1132654286.db2.gz IKLJMRICPPYZCK-OSYLJGHBSA-N 2 1 343.421 3.742 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ccnc(F)c3)c(F)c1)C2 ZINC001169098466 1132654291 /nfs/dbraw/zinc/65/42/91/1132654291.db2.gz IKLJMRICPPYZCK-OSYLJGHBSA-N 2 1 343.421 3.742 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](OCc3ccccc3)CC1)C2 ZINC001169078347 1132657175 /nfs/dbraw/zinc/65/71/75/1132657175.db2.gz DICNANPBLKNOOZ-YXOJAJARSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(Br)cc31)C2 ZINC001169080950 1132658174 /nfs/dbraw/zinc/65/81/74/1132658174.db2.gz NYJHEGUEYYOCIH-MPTYRVRUSA-N 2 1 335.289 3.651 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Oc3ccccc3)nc1)C2 ZINC001169118619 1132663646 /nfs/dbraw/zinc/66/36/46/1132663646.db2.gz MBUALJMKUHKHTG-LDLYASANSA-N 2 1 337.467 3.631 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(Cl)cc3)CC1)C2 ZINC001169124437 1132665082 /nfs/dbraw/zinc/66/50/82/1132665082.db2.gz CNJXWBGSGDWHDG-FVQHAEBGSA-N 2 1 334.891 3.808 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC2(CO1)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124123 1132665807 /nfs/dbraw/zinc/66/58/07/1132665807.db2.gz MLVIPKUVNJKCGM-CMKODMSKSA-N 2 1 334.548 3.968 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109326 1132671268 /nfs/dbraw/zinc/67/12/68/1132671268.db2.gz AUAAWMHZZRANQW-ZJOBFFGXSA-N 2 1 339.405 3.766 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC001175444835 1132672308 /nfs/dbraw/zinc/67/23/08/1132672308.db2.gz OXCZPDZOJLNDPD-WOJBJXKFSA-N 2 1 330.541 3.857 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115730 1132673127 /nfs/dbraw/zinc/67/31/27/1132673127.db2.gz NPOGNHWPLOIWFV-YVSFHVDLSA-N 2 1 339.405 3.766 20 0 EHADMP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206002879 1132678702 /nfs/dbraw/zinc/67/87/02/1132678702.db2.gz CFTLDINRKCEEFQ-RYUDHWBXSA-N 2 1 331.287 3.809 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001169265241 1132705427 /nfs/dbraw/zinc/70/54/27/1132705427.db2.gz NPGFNLHKUAOQCN-OAHLLOKOSA-N 2 1 337.305 3.723 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001169265241 1132705431 /nfs/dbraw/zinc/70/54/31/1132705431.db2.gz NPGFNLHKUAOQCN-OAHLLOKOSA-N 2 1 337.305 3.723 20 0 EHADMP C[C@H](CO)[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC001169291698 1132718817 /nfs/dbraw/zinc/71/88/17/1132718817.db2.gz BTEFUKHIRAGGPD-GOSISDBHSA-N 2 1 330.516 3.798 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CCC[C@@H]1C[NH3+] ZINC001206011903 1132758400 /nfs/dbraw/zinc/75/84/00/1132758400.db2.gz GZVJYGXSPKDNBY-FUHWJXTLSA-N 2 1 331.504 3.600 20 0 EHADMP Cc1c[nH+]c(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(N)c1 ZINC001175796118 1132770105 /nfs/dbraw/zinc/77/01/05/1132770105.db2.gz FCTMVTWNHHSIIU-UHFFFAOYSA-N 2 1 326.444 3.581 20 0 EHADMP CCc1sc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206012361 1132774882 /nfs/dbraw/zinc/77/48/82/1132774882.db2.gz KWWIVCVAYDSMAB-NWDGAFQWSA-N 2 1 345.350 3.880 20 0 EHADMP Cc1[nH+]c2ccc(-n3cc(CC[NH3+])c4ncccc43)cc2n1C(C)C ZINC001169711356 1132831405 /nfs/dbraw/zinc/83/14/05/1132831405.db2.gz WGQBZQWTWKMVOX-UHFFFAOYSA-N 2 1 333.439 3.766 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001176985105 1133018297 /nfs/dbraw/zinc/01/82/97/1133018297.db2.gz OEDXVXWTZZLEGV-OTWHNJEPSA-N 2 1 346.563 3.795 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001176985105 1133018302 /nfs/dbraw/zinc/01/83/02/1133018302.db2.gz OEDXVXWTZZLEGV-OTWHNJEPSA-N 2 1 346.563 3.795 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001177199023 1133038132 /nfs/dbraw/zinc/03/81/32/1133038132.db2.gz BZXOEMQULPHETH-OAQYLSRUSA-N 2 1 343.559 3.750 20 0 EHADMP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC001177334733 1133055725 /nfs/dbraw/zinc/05/57/25/1133055725.db2.gz YPHAICGPVQNEEN-UHFFFAOYSA-N 2 1 344.833 3.905 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000768104450 1133095937 /nfs/dbraw/zinc/09/59/37/1133095937.db2.gz KJVKSLQNLBTNMM-CZUORRHYSA-N 2 1 340.870 3.773 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CNCc2ccccc2OC(F)(F)F)C1 ZINC001177742944 1133098381 /nfs/dbraw/zinc/09/83/81/1133098381.db2.gz JXQRQRRUKROHNE-AWEZNQCLSA-N 2 1 330.394 3.795 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001177742944 1133098388 /nfs/dbraw/zinc/09/83/88/1133098388.db2.gz JXQRQRRUKROHNE-AWEZNQCLSA-N 2 1 330.394 3.795 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC001177742944 1133098392 /nfs/dbraw/zinc/09/83/92/1133098392.db2.gz JXQRQRRUKROHNE-AWEZNQCLSA-N 2 1 330.394 3.795 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CNCc2cc(F)ccc2Br)C1 ZINC001177744215 1133098736 /nfs/dbraw/zinc/09/87/36/1133098736.db2.gz UFIFNGCQEIFCFE-ZDUSSCGKSA-N 2 1 343.284 3.798 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001206311751 1133118528 /nfs/dbraw/zinc/11/85/28/1133118528.db2.gz UKVGJTJNDRBQEN-OAHLLOKOSA-N 2 1 334.357 3.675 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)n2cccn2)CC1(C)C ZINC001177947802 1133120473 /nfs/dbraw/zinc/12/04/73/1133120473.db2.gz AFFDLCUGXDYSBX-ZWKOTPCHSA-N 2 1 346.906 3.588 20 0 EHADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585583 1133179917 /nfs/dbraw/zinc/17/99/17/1133179917.db2.gz XPZMAOYWEKDNGQ-PKOBYXMFSA-N 2 1 328.500 3.939 20 0 EHADMP COc1ccsc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001179338936 1133246410 /nfs/dbraw/zinc/24/64/10/1133246410.db2.gz OYPDFRURWALONQ-WBVHZDCISA-N 2 1 330.497 3.614 20 0 EHADMP COc1ccsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001179338936 1133246415 /nfs/dbraw/zinc/24/64/15/1133246415.db2.gz OYPDFRURWALONQ-WBVHZDCISA-N 2 1 330.497 3.614 20 0 EHADMP CCC[N@@H+](CC1CC[NH+](CC)CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001181135867 1133457393 /nfs/dbraw/zinc/45/73/93/1133457393.db2.gz XPYYDRAIQDQUBZ-GOSISDBHSA-N 2 1 345.531 3.848 20 0 EHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC001181296909 1133475688 /nfs/dbraw/zinc/47/56/88/1133475688.db2.gz GJYSYGUIMWZEJX-PKOBYXMFSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296909 1133475692 /nfs/dbraw/zinc/47/56/92/1133475692.db2.gz GJYSYGUIMWZEJX-PKOBYXMFSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001181296909 1133475694 /nfs/dbraw/zinc/47/56/94/1133475694.db2.gz GJYSYGUIMWZEJX-PKOBYXMFSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC001181371356 1133481501 /nfs/dbraw/zinc/48/15/01/1133481501.db2.gz ALDNGLDKZOAQFR-ZRZAMGCNSA-N 2 1 334.507 3.910 20 0 EHADMP Cc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC001181371356 1133481505 /nfs/dbraw/zinc/48/15/05/1133481505.db2.gz ALDNGLDKZOAQFR-ZRZAMGCNSA-N 2 1 334.507 3.910 20 0 EHADMP Cc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC001181371356 1133481506 /nfs/dbraw/zinc/48/15/06/1133481506.db2.gz ALDNGLDKZOAQFR-ZRZAMGCNSA-N 2 1 334.507 3.910 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC001181435691 1133492047 /nfs/dbraw/zinc/49/20/47/1133492047.db2.gz HDSUVLCDFBWORC-RLLQIKCJSA-N 2 1 335.580 3.740 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000774411601 1133673965 /nfs/dbraw/zinc/67/39/65/1133673965.db2.gz KYAMXAUQHWJHKQ-PMACEKPBSA-N 2 1 332.463 3.510 20 0 EHADMP CC1(C)CC[N@H+](Cc2ccc3c(c2)OCCCCO3)CC(C)(C)[NH2+]1 ZINC001184374055 1133932364 /nfs/dbraw/zinc/93/23/64/1133932364.db2.gz HRULOAWTXRAEQZ-UHFFFAOYSA-N 2 1 332.488 3.591 20 0 EHADMP CC1(C)CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)CC(C)(C)[NH2+]1 ZINC001184374055 1133932368 /nfs/dbraw/zinc/93/23/68/1133932368.db2.gz HRULOAWTXRAEQZ-UHFFFAOYSA-N 2 1 332.488 3.591 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001184398155 1133935006 /nfs/dbraw/zinc/93/50/06/1133935006.db2.gz HRZNMUARXRORLD-OYRHEFFESA-N 2 1 328.500 3.565 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001184398155 1133935010 /nfs/dbraw/zinc/93/50/10/1133935010.db2.gz HRZNMUARXRORLD-OYRHEFFESA-N 2 1 328.500 3.565 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001184398155 1133935013 /nfs/dbraw/zinc/93/50/13/1133935013.db2.gz HRZNMUARXRORLD-OYRHEFFESA-N 2 1 328.500 3.565 20 0 EHADMP CC(C)CCC[C@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001170083770 1134104588 /nfs/dbraw/zinc/10/45/88/1134104588.db2.gz ZOJCZEVDCXJSPG-IBGZPJMESA-N 2 1 346.563 3.942 20 0 EHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192237 1134702760 /nfs/dbraw/zinc/70/27/60/1134702760.db2.gz JRUCLNTTYADDQG-UAFMIMERSA-N 2 1 334.479 3.855 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001170424914 1134842146 /nfs/dbraw/zinc/84/21/46/1134842146.db2.gz MPIFALYZFBGOQF-OALUTQOASA-N 2 1 344.499 3.591 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001170424914 1134842151 /nfs/dbraw/zinc/84/21/51/1134842151.db2.gz MPIFALYZFBGOQF-OALUTQOASA-N 2 1 344.499 3.591 20 0 EHADMP CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790809 1134923711 /nfs/dbraw/zinc/92/37/11/1134923711.db2.gz ZLDHXARICRHNJV-RXVVDRJESA-N 2 1 330.516 3.919 20 0 EHADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790809 1134923719 /nfs/dbraw/zinc/92/37/19/1134923719.db2.gz ZLDHXARICRHNJV-RXVVDRJESA-N 2 1 330.516 3.919 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793548495 1134954789 /nfs/dbraw/zinc/95/47/89/1134954789.db2.gz MKBNIICUHGYAAD-WSTZPKSXSA-N 2 1 340.515 3.680 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](CCSC(C)(C)C)CC1 ZINC001192324211 1134999378 /nfs/dbraw/zinc/99/93/78/1134999378.db2.gz HGMLRDWKEOHSGS-UHFFFAOYSA-N 2 1 330.582 3.589 20 0 EHADMP OC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000793921155 1135005421 /nfs/dbraw/zinc/00/54/21/1135005421.db2.gz HFCBHBPECPESHZ-SEJPIABJSA-N 2 1 342.527 3.857 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205626908 1135118186 /nfs/dbraw/zinc/11/81/86/1135118186.db2.gz KNSNKUQPHITUGT-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP CC[C@]1(CO)CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193563628 1135152999 /nfs/dbraw/zinc/15/29/99/1135152999.db2.gz NERIJXGSNXTWHN-JOCHJYFZSA-N 2 1 344.543 3.568 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC001205665408 1135276763 /nfs/dbraw/zinc/27/67/63/1135276763.db2.gz RCFRSZOZIPZQRH-NXEZZACHSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cnc(Cl)c(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC001205665408 1135276767 /nfs/dbraw/zinc/27/67/67/1135276767.db2.gz RCFRSZOZIPZQRH-NXEZZACHSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000775635150 1135365314 /nfs/dbraw/zinc/36/53/14/1135365314.db2.gz YLTJQXABLMVOKJ-BBWFWOEESA-N 2 1 329.488 3.708 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000806159094 1135404237 /nfs/dbraw/zinc/40/42/37/1135404237.db2.gz XOPQVKDIZNLAQM-VBQJREDUSA-N 2 1 333.907 3.965 20 0 EHADMP Cc1ncsc1CCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196943640 1135632057 /nfs/dbraw/zinc/63/20/57/1135632057.db2.gz ODYHEDPPRPFVFP-SFHVURJKSA-N 2 1 335.561 3.971 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000809737950 1135883658 /nfs/dbraw/zinc/88/36/58/1135883658.db2.gz NAVNBYPYVYZTCV-UHFFFAOYSA-N 2 1 334.467 3.566 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000809756007 1135887146 /nfs/dbraw/zinc/88/71/46/1135887146.db2.gz NTCKDZPLRUUORD-CQSZACIVSA-N 2 1 344.471 3.899 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCCC(C)(C)C3)cc2)CC1 ZINC001199275545 1135895876 /nfs/dbraw/zinc/89/58/76/1135895876.db2.gz KDMIQCKZSQHJRJ-OAQYLSRUSA-N 2 1 343.559 3.740 20 0 EHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC001199383627 1135902767 /nfs/dbraw/zinc/90/27/67/1135902767.db2.gz CIBKRQKVKLUQOQ-DLBZAZTESA-N 2 1 335.511 3.739 20 0 EHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC001199383627 1135902770 /nfs/dbraw/zinc/90/27/70/1135902770.db2.gz CIBKRQKVKLUQOQ-DLBZAZTESA-N 2 1 335.511 3.739 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001199639907 1135916835 /nfs/dbraw/zinc/91/68/35/1135916835.db2.gz NIIGYEJYEJLSJA-CZAYHTPWSA-N 2 1 343.559 3.922 20 0 EHADMP CC(C)C(C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC001199666902 1135918361 /nfs/dbraw/zinc/91/83/61/1135918361.db2.gz GSUKCDCXDGKWCJ-GOSISDBHSA-N 2 1 332.532 3.925 20 0 EHADMP CC(C)C(C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC001199666902 1135918363 /nfs/dbraw/zinc/91/83/63/1135918363.db2.gz GSUKCDCXDGKWCJ-GOSISDBHSA-N 2 1 332.532 3.925 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810087106 1135919182 /nfs/dbraw/zinc/91/91/82/1135919182.db2.gz NQTQLBXAHNKDTH-HXUWFJFHSA-N 2 1 349.494 3.679 20 0 EHADMP c1ccc(CC[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001201598254 1136039913 /nfs/dbraw/zinc/03/99/13/1136039913.db2.gz KOYJHOVQSFQXAP-UHFFFAOYSA-N 2 1 335.495 3.612 20 0 EHADMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1cccs1)[NH+]1CCCCC1 ZINC001201954209 1136078095 /nfs/dbraw/zinc/07/80/95/1136078095.db2.gz ISQIDXYAKJWMHW-OAHLLOKOSA-N 2 1 332.517 3.503 20 0 EHADMP C[C@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001202176389 1136105548 /nfs/dbraw/zinc/10/55/48/1136105548.db2.gz PYRFQSVLTTYEFT-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]1C[C@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001202176389 1136105550 /nfs/dbraw/zinc/10/55/50/1136105550.db2.gz PYRFQSVLTTYEFT-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4SCCS4)[C@H]3C2)cc1 ZINC000850562230 1136286216 /nfs/dbraw/zinc/28/62/16/1136286216.db2.gz YJRFQAWLXDLNLM-BZSNNMDCSA-N 2 1 348.581 3.683 20 0 EHADMP C[C@H]([NH2+]CCC1SCCS1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850569830 1136288415 /nfs/dbraw/zinc/28/84/15/1136288415.db2.gz CIUXPQPIXNYAIY-DOTOQJQBSA-N 2 1 336.570 3.683 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@H]1C ZINC000338948505 1136467923 /nfs/dbraw/zinc/46/79/23/1136467923.db2.gz NLLYDOKKMMKEKI-XLIONFOSSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@H]1C ZINC000338948505 1136467924 /nfs/dbraw/zinc/46/79/24/1136467924.db2.gz NLLYDOKKMMKEKI-XLIONFOSSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)C[C@H]1C ZINC000338948505 1136467925 /nfs/dbraw/zinc/46/79/25/1136467925.db2.gz NLLYDOKKMMKEKI-XLIONFOSSA-N 2 1 340.515 3.700 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239369 1136520718 /nfs/dbraw/zinc/52/07/18/1136520718.db2.gz GKFLMNGNEXENPD-HKUYNNGSSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239369 1136520722 /nfs/dbraw/zinc/52/07/22/1136520722.db2.gz GKFLMNGNEXENPD-HKUYNNGSSA-N 2 1 338.499 3.645 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC000776802301 1136685319 /nfs/dbraw/zinc/68/53/19/1136685319.db2.gz FFXQKIOXMOOXTB-RXVVDRJESA-N 2 1 345.531 3.836 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@@H]4CCCOCC4)C3)CC2)cc1 ZINC001170827210 1136722703 /nfs/dbraw/zinc/72/27/03/1136722703.db2.gz JSFLMVQHYTWAJA-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000817584262 1136825109 /nfs/dbraw/zinc/82/51/09/1136825109.db2.gz VYXXQZMOKYAHSC-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000818959353 1136895462 /nfs/dbraw/zinc/89/54/62/1136895462.db2.gz ILLRKCJUGBIZKB-AVRDEDQJSA-N 2 1 338.495 3.884 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857846279 1136912079 /nfs/dbraw/zinc/91/20/79/1136912079.db2.gz BFPKXLBMTIWNHM-OXJNMPFZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857846279 1136912083 /nfs/dbraw/zinc/91/20/83/1136912083.db2.gz BFPKXLBMTIWNHM-OXJNMPFZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857846279 1136912087 /nfs/dbraw/zinc/91/20/87/1136912087.db2.gz BFPKXLBMTIWNHM-OXJNMPFZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857846279 1136912089 /nfs/dbraw/zinc/91/20/89/1136912089.db2.gz BFPKXLBMTIWNHM-OXJNMPFZSA-N 2 1 338.499 3.809 20 0 EHADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1Cl ZINC000819279204 1136930767 /nfs/dbraw/zinc/93/07/67/1136930767.db2.gz XVKBDBBFDTUWRO-MQBCKMQZSA-N 2 1 343.298 3.633 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283031 1136931354 /nfs/dbraw/zinc/93/13/54/1136931354.db2.gz FRDWUOXPCSBILS-VXKWHMMOSA-N 2 1 338.495 3.530 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H]2CCCc3cn(C4CCCC4)nc32)CC1(C)C ZINC000858157673 1136944836 /nfs/dbraw/zinc/94/48/36/1136944836.db2.gz LASDRKOFRLFYJW-AEFFLSMTSA-N 2 1 330.520 3.838 20 0 EHADMP COc1cncc(/C=C\CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859213077 1137007866 /nfs/dbraw/zinc/00/78/66/1137007866.db2.gz REHBCYSZYIWGQU-ALCCZGGFSA-N 2 1 339.483 3.687 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820842782 1137008063 /nfs/dbraw/zinc/00/80/63/1137008063.db2.gz XQZCATVNYDMEJR-SFHVURJKSA-N 2 1 329.831 3.783 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000173420303 1137096227 /nfs/dbraw/zinc/09/62/27/1137096227.db2.gz WWPYBXNYYDDKRI-VCBZYWHSSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000173420303 1137096229 /nfs/dbraw/zinc/09/62/29/1137096229.db2.gz WWPYBXNYYDDKRI-VCBZYWHSSA-N 2 1 340.458 3.752 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000823825098 1137114659 /nfs/dbraw/zinc/11/46/59/1137114659.db2.gz HERSTJKKZVQTGF-ZCNNSNEGSA-N 2 1 346.902 3.729 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000823825098 1137114660 /nfs/dbraw/zinc/11/46/60/1137114660.db2.gz HERSTJKKZVQTGF-ZCNNSNEGSA-N 2 1 346.902 3.729 20 0 EHADMP C[N@H+](Cc1cc(Br)c(F)cc1F)CC1CC[NH+](C)CC1 ZINC001136854205 1137131792 /nfs/dbraw/zinc/13/17/92/1137131792.db2.gz MRZLLLHZMJQURA-UHFFFAOYSA-N 2 1 347.247 3.501 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028885 1137175992 /nfs/dbraw/zinc/17/59/92/1137175992.db2.gz KDIWJOCEOKWCFX-REWPJTCUSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028885 1137175993 /nfs/dbraw/zinc/17/59/93/1137175993.db2.gz KDIWJOCEOKWCFX-REWPJTCUSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028885 1137175995 /nfs/dbraw/zinc/17/59/95/1137175995.db2.gz KDIWJOCEOKWCFX-REWPJTCUSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028885 1137175996 /nfs/dbraw/zinc/17/59/96/1137175996.db2.gz KDIWJOCEOKWCFX-REWPJTCUSA-N 2 1 348.490 3.671 20 0 EHADMP C[NH+]1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3Cl)C2)CC1 ZINC001143715788 1137191401 /nfs/dbraw/zinc/19/14/01/1137191401.db2.gz RGAYUPLVDBAPCT-UHFFFAOYSA-N 2 1 332.797 3.886 20 0 EHADMP CCOc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001143937338 1137216176 /nfs/dbraw/zinc/21/61/76/1137216176.db2.gz JWYOSAMNCFZBEZ-UHFFFAOYSA-N 2 1 340.458 3.916 20 0 EHADMP CCOc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001143937338 1137216178 /nfs/dbraw/zinc/21/61/78/1137216178.db2.gz JWYOSAMNCFZBEZ-UHFFFAOYSA-N 2 1 340.458 3.916 20 0 EHADMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001144494975 1137300983 /nfs/dbraw/zinc/30/09/83/1137300983.db2.gz IWKKFNTZOSMGHO-INIZCTEOSA-N 2 1 332.831 3.705 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000865651745 1137301978 /nfs/dbraw/zinc/30/19/78/1137301978.db2.gz CVKBYTQSBATHKE-QGZVFWFLSA-N 2 1 336.520 3.565 20 0 EHADMP C[N@H+](Cc1cc(Cl)cc(Br)c1)CC1CC[NH+](C)CC1 ZINC001144690382 1137327333 /nfs/dbraw/zinc/32/73/33/1137327333.db2.gz MCUUVKZSARFLFA-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866240409 1137338165 /nfs/dbraw/zinc/33/81/65/1137338165.db2.gz DZQDQVLILRUUTE-ROUUACIJSA-N 2 1 325.500 3.877 20 0 EHADMP C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866513034 1137360417 /nfs/dbraw/zinc/36/04/17/1137360417.db2.gz RKMSYFPDPGFVIU-AGOPTVSRSA-N 2 1 342.527 3.692 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001171302529 1137405027 /nfs/dbraw/zinc/40/50/27/1137405027.db2.gz VUHWAWWCEAURDK-YHUYYLMFSA-N 2 1 348.918 3.811 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001171302529 1137405028 /nfs/dbraw/zinc/40/50/28/1137405028.db2.gz VUHWAWWCEAURDK-YHUYYLMFSA-N 2 1 348.918 3.811 20 0 EHADMP COCC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635880 1137487939 /nfs/dbraw/zinc/48/79/39/1137487939.db2.gz HBMUEJNENYXICK-UFYCRDLUSA-N 2 1 330.516 3.692 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693627 1137488530 /nfs/dbraw/zinc/48/85/30/1137488530.db2.gz PJBXPBRPARLPHP-UFYCRDLUSA-N 2 1 330.516 3.692 20 0 EHADMP Fc1cccc(F)c1CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554443 1137497695 /nfs/dbraw/zinc/49/76/95/1137497695.db2.gz HJVMGXAXGSZPGL-UHFFFAOYSA-N 2 1 331.410 3.505 20 0 EHADMP Cc1[nH]c(=O)c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c2c1CCCC2 ZINC001171622957 1137501043 /nfs/dbraw/zinc/50/10/43/1137501043.db2.gz FAYUBNAUAADCPE-UHFFFAOYSA-N 2 1 345.531 3.715 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnc(Br)c2)CC1(C)C ZINC001171622933 1137501087 /nfs/dbraw/zinc/50/10/87/1137501087.db2.gz DDJOICNLHYGJFY-UHFFFAOYSA-N 2 1 340.309 3.585 20 0 EHADMP CCOC(=O)C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171623916 1137501286 /nfs/dbraw/zinc/50/12/86/1137501286.db2.gz IWZHYBKASPSDRB-SFHVURJKSA-N 2 1 346.515 3.922 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1(C)C ZINC001171639452 1137504766 /nfs/dbraw/zinc/50/47/66/1137504766.db2.gz KHZTZOIGQUWGPX-OALUTQOASA-N 2 1 341.543 3.597 20 0 EHADMP CC1(C)C[C@@H](NCC[NH+]2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962921 1137520007 /nfs/dbraw/zinc/52/00/07/1137520007.db2.gz DGVPAIHYBDKVIC-NRFANRHFSA-N 2 1 343.559 3.895 20 0 EHADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965734 1137520493 /nfs/dbraw/zinc/52/04/93/1137520493.db2.gz QWBXTMDVAAIONR-HXUWFJFHSA-N 2 1 331.548 3.751 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970152 1137523854 /nfs/dbraw/zinc/52/38/54/1137523854.db2.gz YYRKDQHZZFDWAN-HXUWFJFHSA-N 3 1 331.548 3.751 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171970152 1137523856 /nfs/dbraw/zinc/52/38/56/1137523856.db2.gz YYRKDQHZZFDWAN-HXUWFJFHSA-N 2 1 331.548 3.751 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976009 1137525082 /nfs/dbraw/zinc/52/50/82/1137525082.db2.gz HLFDRZXPECGYSH-KAGYGMCKSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976009 1137525083 /nfs/dbraw/zinc/52/50/83/1137525083.db2.gz HLFDRZXPECGYSH-KAGYGMCKSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976009 1137525084 /nfs/dbraw/zinc/52/50/84/1137525084.db2.gz HLFDRZXPECGYSH-KAGYGMCKSA-N 2 1 344.543 3.913 20 0 EHADMP COC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976394 1137525485 /nfs/dbraw/zinc/52/54/85/1137525485.db2.gz KUGMBDPVGOTZOK-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976394 1137525486 /nfs/dbraw/zinc/52/54/86/1137525486.db2.gz KUGMBDPVGOTZOK-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@@H]1CCCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976394 1137525488 /nfs/dbraw/zinc/52/54/88/1137525488.db2.gz KUGMBDPVGOTZOK-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@@H]1CCCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976394 1137525490 /nfs/dbraw/zinc/52/54/90/1137525490.db2.gz KUGMBDPVGOTZOK-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@](C)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977607 1137525904 /nfs/dbraw/zinc/52/59/04/1137525904.db2.gz RXOQODWXSQOBGB-UNMCSNQZSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977607 1137525905 /nfs/dbraw/zinc/52/59/05/1137525905.db2.gz RXOQODWXSQOBGB-UNMCSNQZSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977607 1137525906 /nfs/dbraw/zinc/52/59/06/1137525906.db2.gz RXOQODWXSQOBGB-UNMCSNQZSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@@H](n2c(C[NH3+])nc3cnccc32)CC[N@H+]1Cc1ccccc1 ZINC001171977723 1137525993 /nfs/dbraw/zinc/52/59/93/1137525993.db2.gz GOHHCMGXUOYAOU-KRWDZBQOSA-N 2 1 349.482 3.506 20 0 EHADMP CCO[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985567 1137527120 /nfs/dbraw/zinc/52/71/20/1137527120.db2.gz YBUSZAFXVPLIHH-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985567 1137527122 /nfs/dbraw/zinc/52/71/22/1137527122.db2.gz YBUSZAFXVPLIHH-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985567 1137527124 /nfs/dbraw/zinc/52/71/24/1137527124.db2.gz YBUSZAFXVPLIHH-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@H](N2CCC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171984242 1137527135 /nfs/dbraw/zinc/52/71/35/1137527135.db2.gz JLSZAOGRNFLOFN-RTWAWAEBSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CCC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984242 1137527136 /nfs/dbraw/zinc/52/71/36/1137527136.db2.gz JLSZAOGRNFLOFN-RTWAWAEBSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CCC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984242 1137527137 /nfs/dbraw/zinc/52/71/37/1137527137.db2.gz JLSZAOGRNFLOFN-RTWAWAEBSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](n2nnc3ccc(C[NH3+])cc32)CC[N@H+]1Cc1ccccc1 ZINC001171984297 1137527236 /nfs/dbraw/zinc/52/72/36/1137527236.db2.gz UPJIVWGDVUKCLY-GOSISDBHSA-N 2 1 349.482 3.506 20 0 EHADMP CC1(C)C[C@@H](NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171984301 1137527240 /nfs/dbraw/zinc/52/72/40/1137527240.db2.gz UWZZMMZITWHFJP-NRFANRHFSA-N 2 1 343.559 3.895 20 0 EHADMP CC1(C)C[C@@H](N2CCC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171984239 1137527340 /nfs/dbraw/zinc/52/73/40/1137527340.db2.gz JLSZAOGRNFLOFN-LEWJYISDSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CCC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984239 1137527341 /nfs/dbraw/zinc/52/73/41/1137527341.db2.gz JLSZAOGRNFLOFN-LEWJYISDSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H](N2CCC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171984239 1137527342 /nfs/dbraw/zinc/52/73/42/1137527342.db2.gz JLSZAOGRNFLOFN-LEWJYISDSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@@]3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987841 1137527679 /nfs/dbraw/zinc/52/76/79/1137527679.db2.gz KMKXBBFSKXIZGI-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987841 1137527681 /nfs/dbraw/zinc/52/76/81/1137527681.db2.gz KMKXBBFSKXIZGI-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987841 1137527682 /nfs/dbraw/zinc/52/76/82/1137527682.db2.gz KMKXBBFSKXIZGI-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOC1 ZINC001172070383 1137529857 /nfs/dbraw/zinc/52/98/57/1137529857.db2.gz NVXHHFVYIDPHSA-BURNTYAHSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076398 1137530472 /nfs/dbraw/zinc/53/04/72/1137530472.db2.gz IRFNXOPGZWEQIR-BURNTYAHSA-N 2 1 330.516 3.569 20 0 EHADMP COCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076548 1137530641 /nfs/dbraw/zinc/53/06/41/1137530641.db2.gz FRQZLPYKFQZREG-KOUNCHBCSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063526 1137532950 /nfs/dbraw/zinc/53/29/50/1137532950.db2.gz BAAJQFQQVYBEED-RZXSNQJFSA-N 2 1 336.483 3.713 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063526 1137532951 /nfs/dbraw/zinc/53/29/51/1137532951.db2.gz BAAJQFQQVYBEED-RZXSNQJFSA-N 2 1 336.483 3.713 20 0 EHADMP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065021 1137533118 /nfs/dbraw/zinc/53/31/18/1137533118.db2.gz HJIASDLUMDJJOV-XSDIEEQYSA-N 2 1 330.516 3.713 20 0 EHADMP C[C@@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067610 1137534021 /nfs/dbraw/zinc/53/40/21/1137534021.db2.gz DWLYLJKSAPOXGB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067610 1137534022 /nfs/dbraw/zinc/53/40/22/1137534022.db2.gz DWLYLJKSAPOXGB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067610 1137534023 /nfs/dbraw/zinc/53/40/23/1137534023.db2.gz DWLYLJKSAPOXGB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067610 1137534024 /nfs/dbraw/zinc/53/40/24/1137534024.db2.gz DWLYLJKSAPOXGB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067771 1137534155 /nfs/dbraw/zinc/53/41/55/1137534155.db2.gz NUBXQHBCRMUZBS-DKUWSORSSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172067771 1137534157 /nfs/dbraw/zinc/53/41/57/1137534157.db2.gz NUBXQHBCRMUZBS-DKUWSORSSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@]1(O)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069561 1137534480 /nfs/dbraw/zinc/53/44/80/1137534480.db2.gz RBRRCVOJHNBYLB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069561 1137534481 /nfs/dbraw/zinc/53/44/81/1137534481.db2.gz RBRRCVOJHNBYLB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069561 1137534483 /nfs/dbraw/zinc/53/44/83/1137534483.db2.gz RBRRCVOJHNBYLB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069561 1137534485 /nfs/dbraw/zinc/53/44/85/1137534485.db2.gz RBRRCVOJHNBYLB-CLAROIROSA-N 2 1 342.527 3.809 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001172110322 1137537124 /nfs/dbraw/zinc/53/71/24/1137537124.db2.gz MMEOVGHIQKZZCS-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001172110322 1137537125 /nfs/dbraw/zinc/53/71/25/1137537125.db2.gz MMEOVGHIQKZZCS-QDMKHBRRSA-N 2 1 341.268 3.693 20 0 EHADMP COc1ccc2cccc(CC[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001172116287 1137538139 /nfs/dbraw/zinc/53/81/39/1137538139.db2.gz GRCFUEPKNGONMC-OWZKRDHZSA-N 2 1 338.495 3.996 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001172121593 1137538920 /nfs/dbraw/zinc/53/89/20/1137538920.db2.gz KYIDFJGPWLJLIA-BWTSREIZSA-N 2 1 346.490 3.822 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001172121593 1137538921 /nfs/dbraw/zinc/53/89/21/1137538921.db2.gz KYIDFJGPWLJLIA-BWTSREIZSA-N 2 1 346.490 3.822 20 0 EHADMP COCCC[NH+]1CCC([NH2+]C2(c3ccccc3)CCCCC2)CC1 ZINC001172247393 1137544414 /nfs/dbraw/zinc/54/44/14/1137544414.db2.gz NHYMPVSJBRURCK-UHFFFAOYSA-N 2 1 330.516 3.937 20 0 EHADMP COCCC[NH+]1CCC([N@H+](Cc2ccccn2)C2CCCCC2)CC1 ZINC001172253198 1137544674 /nfs/dbraw/zinc/54/46/74/1137544674.db2.gz GJZJVYOTHKHYCY-UHFFFAOYSA-N 2 1 345.531 3.717 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](Cc2ccccn2)C2CCCCC2)CC1 ZINC001172253198 1137544675 /nfs/dbraw/zinc/54/46/75/1137544675.db2.gz GJZJVYOTHKHYCY-UHFFFAOYSA-N 2 1 345.531 3.717 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172330455 1137551078 /nfs/dbraw/zinc/55/10/78/1137551078.db2.gz NCOBGGPZXVURRS-FGTMMUONSA-N 2 1 340.552 3.592 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(OC)c(OC)cc32)CC1 ZINC000872019446 1137564972 /nfs/dbraw/zinc/56/49/72/1137564972.db2.gz XCQLKFATMPANOS-GOSISDBHSA-N 2 1 332.488 3.545 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccc(O)c1F ZINC000872030948 1137566275 /nfs/dbraw/zinc/56/62/75/1137566275.db2.gz DVZPJJZRUSOTTL-OAHLLOKOSA-N 2 1 346.446 3.713 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000872107060 1137571516 /nfs/dbraw/zinc/57/15/16/1137571516.db2.gz OGMOPFFHSHNSOA-CJNGLKHVSA-N 2 1 337.305 3.553 20 0 EHADMP c1cnc2cc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)ccc2n1 ZINC000873029580 1137588565 /nfs/dbraw/zinc/58/85/65/1137588565.db2.gz LJFWYHUQNYJDDA-UHFFFAOYSA-N 2 1 338.499 3.764 20 0 EHADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1Br ZINC001137616624 1137629691 /nfs/dbraw/zinc/62/96/91/1137629691.db2.gz SSOADWUZLPLSLP-UHFFFAOYSA-N 2 1 337.305 3.675 20 0 EHADMP Clc1ccc2sc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2n1 ZINC000876761015 1137660550 /nfs/dbraw/zinc/66/05/50/1137660550.db2.gz XBMGOECQUBSYET-ZDUSSCGKSA-N 2 1 335.904 3.867 20 0 EHADMP Clc1ccc2sc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2n1 ZINC000876761015 1137660551 /nfs/dbraw/zinc/66/05/51/1137660551.db2.gz XBMGOECQUBSYET-ZDUSSCGKSA-N 2 1 335.904 3.867 20 0 EHADMP CCC[C@H](CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)OC ZINC000876866116 1137664191 /nfs/dbraw/zinc/66/41/91/1137664191.db2.gz OOFUAXAGPFAOFZ-HXUWFJFHSA-N 2 1 333.520 3.692 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876969450 1137666507 /nfs/dbraw/zinc/66/65/07/1137666507.db2.gz PVCDSQZDMMNHBM-BSQBWSPESA-N 2 1 332.469 3.665 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876969450 1137666508 /nfs/dbraw/zinc/66/65/08/1137666508.db2.gz PVCDSQZDMMNHBM-BSQBWSPESA-N 2 1 332.469 3.665 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076825 1137669556 /nfs/dbraw/zinc/66/95/56/1137669556.db2.gz VUNADVSOBDTATK-FVQBIDKESA-N 2 1 327.299 3.823 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4c(ccnc4Cl)o3)C2)CC1 ZINC000877496418 1137678541 /nfs/dbraw/zinc/67/85/41/1137678541.db2.gz SFVLUWWYZZDISP-UHFFFAOYSA-N 2 1 333.863 3.789 20 0 EHADMP Cc1sc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Br ZINC000877517570 1137679306 /nfs/dbraw/zinc/67/93/06/1137679306.db2.gz NVZNKRROVRWAHA-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP Cc1sc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Br ZINC000877517570 1137679307 /nfs/dbraw/zinc/67/93/07/1137679307.db2.gz NVZNKRROVRWAHA-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP Cc1sc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000877517570 1137679308 /nfs/dbraw/zinc/67/93/08/1137679308.db2.gz NVZNKRROVRWAHA-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP Cc1sc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000877517570 1137679309 /nfs/dbraw/zinc/67/93/09/1137679309.db2.gz NVZNKRROVRWAHA-FUNVUKJBSA-N 2 1 343.334 3.876 20 0 EHADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878339577 1137711332 /nfs/dbraw/zinc/71/13/32/1137711332.db2.gz OSUKFARTJYTQAB-PMACEKPBSA-N 2 1 328.500 3.857 20 0 EHADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000878339577 1137711333 /nfs/dbraw/zinc/71/13/33/1137711333.db2.gz OSUKFARTJYTQAB-PMACEKPBSA-N 2 1 328.500 3.857 20 0 EHADMP CC1(C)CCC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000878529202 1137718917 /nfs/dbraw/zinc/71/89/17/1137718917.db2.gz VQCYMNOLGVVCRS-GOSISDBHSA-N 2 1 331.504 3.747 20 0 EHADMP CC(C)C[N@H+](Cc1cccc2c1CCOC2)CC1CC[NH+](C)CC1 ZINC000879703306 1137755831 /nfs/dbraw/zinc/75/58/31/1137755831.db2.gz HVFCMGSXOJQXEP-UHFFFAOYSA-N 2 1 330.516 3.559 20 0 EHADMP COc1ccccc1[C@@H]1CCC[N@@H+](CCCc2cncn2C)CC1 ZINC000879731761 1137757006 /nfs/dbraw/zinc/75/70/06/1137757006.db2.gz OCPBJQGLUMHIMF-QGZVFWFLSA-N 2 1 327.472 3.631 20 0 EHADMP COc1ccccc1[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000879731761 1137757007 /nfs/dbraw/zinc/75/70/07/1137757007.db2.gz OCPBJQGLUMHIMF-QGZVFWFLSA-N 2 1 327.472 3.631 20 0 EHADMP COc1ccccc1[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000879731761 1137757008 /nfs/dbraw/zinc/75/70/08/1137757008.db2.gz OCPBJQGLUMHIMF-QGZVFWFLSA-N 2 1 327.472 3.631 20 0 EHADMP COc1cc2c(cc1OC)[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000880090284 1137767883 /nfs/dbraw/zinc/76/78/83/1137767883.db2.gz PPAKDDPWUZPTRO-HNNXBMFYSA-N 2 1 343.471 3.608 20 0 EHADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000880090284 1137767884 /nfs/dbraw/zinc/76/78/84/1137767884.db2.gz PPAKDDPWUZPTRO-HNNXBMFYSA-N 2 1 343.471 3.608 20 0 EHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000881628458 1137812057 /nfs/dbraw/zinc/81/20/57/1137812057.db2.gz RLWIDHIESWWCID-IBGZPJMESA-N 2 1 349.563 3.508 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000882888587 1137836836 /nfs/dbraw/zinc/83/68/36/1137836836.db2.gz DCMUSEZNFZEUPX-UHFFFAOYSA-N 2 1 338.495 3.889 20 0 EHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000331728763 1137918500 /nfs/dbraw/zinc/91/85/00/1137918500.db2.gz ZWPWUJAMWKTXKP-RHSMWYFYSA-N 2 1 335.879 3.554 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1OC ZINC000886060171 1138036572 /nfs/dbraw/zinc/03/65/72/1138036572.db2.gz WPOYOAMMDBXEEK-IAGOWNOFSA-N 2 1 346.515 3.755 20 0 EHADMP COc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1OC ZINC000886060171 1138036575 /nfs/dbraw/zinc/03/65/75/1138036575.db2.gz WPOYOAMMDBXEEK-IAGOWNOFSA-N 2 1 346.515 3.755 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000886528607 1138090732 /nfs/dbraw/zinc/09/07/32/1138090732.db2.gz OSQUGTBMLPXPHG-UTKZUKDTSA-N 2 1 340.515 3.932 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000886557017 1138095995 /nfs/dbraw/zinc/09/59/95/1138095995.db2.gz PLDYJXGKLZYFLI-SSTJLMRISA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1(F)F ZINC000886638477 1138104378 /nfs/dbraw/zinc/10/43/78/1138104378.db2.gz VOFXXYQROOQLCW-XLAORIBOSA-N 2 1 334.454 3.920 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000886718098 1138124881 /nfs/dbraw/zinc/12/48/81/1138124881.db2.gz QHUMXXNJKOHDSV-NRFANRHFSA-N 2 1 338.495 3.824 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000886719802 1138125205 /nfs/dbraw/zinc/12/52/05/1138125205.db2.gz IAOZSXVFOUPHJS-WOJBJXKFSA-N 2 1 328.500 3.857 20 0 EHADMP Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000886857984 1138159237 /nfs/dbraw/zinc/15/92/37/1138159237.db2.gz ISSTYNFYCKUIBW-MRXNPFEDSA-N 2 1 341.524 3.552 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091321018 1138218522 /nfs/dbraw/zinc/21/85/22/1138218522.db2.gz KDWVXCIVXJJWRW-OLZOCXBDSA-N 2 1 345.878 3.719 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091346668 1138219013 /nfs/dbraw/zinc/21/90/13/1138219013.db2.gz WNGXDYNLXGXFSQ-CYBMUJFWSA-N 2 1 345.878 3.863 20 0 EHADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066657 1138224458 /nfs/dbraw/zinc/22/44/58/1138224458.db2.gz FXFPODBCZIMVHW-UYLUUYTCSA-N 2 1 326.484 3.657 20 0 EHADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066657 1138224461 /nfs/dbraw/zinc/22/44/61/1138224461.db2.gz FXFPODBCZIMVHW-UYLUUYTCSA-N 2 1 326.484 3.657 20 0 EHADMP COc1ccccc1/C=C/C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066657 1138224463 /nfs/dbraw/zinc/22/44/63/1138224463.db2.gz FXFPODBCZIMVHW-UYLUUYTCSA-N 2 1 326.484 3.657 20 0 EHADMP COc1ccccc1/C=C/C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066657 1138224465 /nfs/dbraw/zinc/22/44/65/1138224465.db2.gz FXFPODBCZIMVHW-UYLUUYTCSA-N 2 1 326.484 3.657 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(C)ccc1OC ZINC000093404550 1138237557 /nfs/dbraw/zinc/23/75/57/1138237557.db2.gz YVXAKILUTJZJHD-IBGZPJMESA-N 2 1 334.504 3.545 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000093645085 1138238975 /nfs/dbraw/zinc/23/89/75/1138238975.db2.gz XYGGOQOMMZQAGV-DGCLKSJQSA-N 2 1 332.822 3.856 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645085 1138238977 /nfs/dbraw/zinc/23/89/77/1138238977.db2.gz XYGGOQOMMZQAGV-DGCLKSJQSA-N 2 1 332.822 3.856 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645085 1138238978 /nfs/dbraw/zinc/23/89/78/1138238978.db2.gz XYGGOQOMMZQAGV-DGCLKSJQSA-N 2 1 332.822 3.856 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(CSC(F)F)o2)[C@H](C)C1 ZINC000093639510 1138239117 /nfs/dbraw/zinc/23/91/17/1138239117.db2.gz DTRFZCLSTMUWNN-DOMZBBRYSA-N 2 1 332.460 3.898 20 0 EHADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660179 1138239165 /nfs/dbraw/zinc/23/91/65/1138239165.db2.gz UMAQKROYLBHTBW-GOSISDBHSA-N 2 1 340.471 3.575 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660179 1138239168 /nfs/dbraw/zinc/23/91/68/1138239168.db2.gz UMAQKROYLBHTBW-GOSISDBHSA-N 2 1 340.471 3.575 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660179 1138239169 /nfs/dbraw/zinc/23/91/69/1138239169.db2.gz UMAQKROYLBHTBW-GOSISDBHSA-N 2 1 340.471 3.575 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660179 1138239171 /nfs/dbraw/zinc/23/91/71/1138239171.db2.gz UMAQKROYLBHTBW-GOSISDBHSA-N 2 1 340.471 3.575 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093660179 1138239173 /nfs/dbraw/zinc/23/91/73/1138239173.db2.gz UMAQKROYLBHTBW-GOSISDBHSA-N 2 1 340.471 3.575 20 0 EHADMP C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000124675283 1138292340 /nfs/dbraw/zinc/29/23/40/1138292340.db2.gz FXZUJDUGWKYVAV-LJQANCHMSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124675283 1138292343 /nfs/dbraw/zinc/29/23/43/1138292343.db2.gz FXZUJDUGWKYVAV-LJQANCHMSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124675283 1138292346 /nfs/dbraw/zinc/29/23/46/1138292346.db2.gz FXZUJDUGWKYVAV-LJQANCHMSA-N 2 1 334.467 3.517 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000124699916 1138292816 /nfs/dbraw/zinc/29/28/16/1138292816.db2.gz UNNZLVWPIVSHRP-MRXNPFEDSA-N 2 1 329.513 3.960 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(F)cc(Br)cc2F)C1 ZINC001202760434 1138316373 /nfs/dbraw/zinc/31/63/73/1138316373.db2.gz RUUZSUUHXIQHTL-LLVKDONJSA-N 2 1 347.247 3.549 20 0 EHADMP Cc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CCC2 ZINC000333875358 1138342232 /nfs/dbraw/zinc/34/22/32/1138342232.db2.gz VFTLTUAIUVVBGU-IRJKRNAASA-N 2 1 331.529 3.572 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615815 1138465363 /nfs/dbraw/zinc/46/53/63/1138465363.db2.gz RFKVQGLAMPIKPV-ZRGWGRIASA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130615815 1138465365 /nfs/dbraw/zinc/46/53/65/1138465365.db2.gz RFKVQGLAMPIKPV-ZRGWGRIASA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000337254705 1138510262 /nfs/dbraw/zinc/51/02/62/1138510262.db2.gz QIJOHPLWQBVJMR-AWEZNQCLSA-N 2 1 337.895 3.605 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000337712584 1138649719 /nfs/dbraw/zinc/64/97/19/1138649719.db2.gz OMOAMMCIWQKBLE-UHFFFAOYSA-N 2 1 349.482 3.520 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000134171578 1138676094 /nfs/dbraw/zinc/67/60/94/1138676094.db2.gz XBWSJWYRVVVSCF-UHFFFAOYSA-N 2 1 331.504 3.589 20 0 EHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000338000615 1138720439 /nfs/dbraw/zinc/72/04/39/1138720439.db2.gz YTSAJIUDTABUMX-VQTJNVASSA-N 2 1 334.479 3.527 20 0 EHADMP Clc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150801989 1138983241 /nfs/dbraw/zinc/98/32/41/1138983241.db2.gz OCULKFAJXLVQCB-HNNXBMFYSA-N 2 1 329.875 3.806 20 0 EHADMP Clc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000150801989 1138983248 /nfs/dbraw/zinc/98/32/48/1138983248.db2.gz OCULKFAJXLVQCB-HNNXBMFYSA-N 2 1 329.875 3.806 20 0 EHADMP Cc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000151367800 1139028032 /nfs/dbraw/zinc/02/80/32/1139028032.db2.gz FLTAPRZPWDKAQW-UHFFFAOYSA-N 2 1 327.472 3.978 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388603 1139088115 /nfs/dbraw/zinc/08/81/15/1139088115.db2.gz DUDLHODVNHBMSK-CHWSQXEVSA-N 2 1 328.378 3.720 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388603 1139088124 /nfs/dbraw/zinc/08/81/24/1139088124.db2.gz DUDLHODVNHBMSK-CHWSQXEVSA-N 2 1 328.378 3.720 20 0 EHADMP CCC[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075056 1139807583 /nfs/dbraw/zinc/80/75/83/1139807583.db2.gz LGFLCZGWZVDQPD-YADHBBJMSA-N 2 1 343.559 3.672 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000182262277 1139961397 /nfs/dbraw/zinc/96/13/97/1139961397.db2.gz OBXALMZRZFZSPM-RXVVDRJESA-N 2 1 338.495 3.721 20 0 EHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182947788 1140003835 /nfs/dbraw/zinc/00/38/35/1140003835.db2.gz AYOMDCFUCUKHQZ-CQSZACIVSA-N 2 1 344.330 3.624 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000184678657 1140114648 /nfs/dbraw/zinc/11/46/48/1140114648.db2.gz AAQFNJOQHHLACM-BXUZGUMPSA-N 2 1 336.277 3.503 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC[N@H+]1C ZINC000184678657 1140114649 /nfs/dbraw/zinc/11/46/49/1140114649.db2.gz AAQFNJOQHHLACM-BXUZGUMPSA-N 2 1 336.277 3.503 20 0 EHADMP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197085 1140243527 /nfs/dbraw/zinc/24/35/27/1140243527.db2.gz ZMPYNZUYXAOXIT-YLJYHZDGSA-N 2 1 349.950 3.545 20 0 EHADMP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000187197085 1140243531 /nfs/dbraw/zinc/24/35/31/1140243531.db2.gz ZMPYNZUYXAOXIT-YLJYHZDGSA-N 2 1 349.950 3.545 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000187776897 1140271305 /nfs/dbraw/zinc/27/13/05/1140271305.db2.gz KTIQRQOWIZNKCA-WMZOPIPTSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000187776897 1140271308 /nfs/dbraw/zinc/27/13/08/1140271308.db2.gz KTIQRQOWIZNKCA-WMZOPIPTSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1c([C@@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144275 1140438895 /nfs/dbraw/zinc/43/88/95/1140438895.db2.gz LVFFYQQAMULIKJ-QGZVFWFLSA-N 2 1 340.515 3.871 20 0 EHADMP Cc1c([C@@H](C)NCCC[N@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144275 1140438899 /nfs/dbraw/zinc/43/88/99/1140438899.db2.gz LVFFYQQAMULIKJ-QGZVFWFLSA-N 2 1 340.515 3.871 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144275 1140438901 /nfs/dbraw/zinc/43/89/01/1140438901.db2.gz LVFFYQQAMULIKJ-QGZVFWFLSA-N 2 1 340.515 3.871 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191144275 1140438903 /nfs/dbraw/zinc/43/89/03/1140438903.db2.gz LVFFYQQAMULIKJ-QGZVFWFLSA-N 2 1 340.515 3.871 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(F)cccc1Br ZINC000192462366 1140534483 /nfs/dbraw/zinc/53/44/83/1140534483.db2.gz UKWIMOQGMNMJOG-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000268000023 1140863516 /nfs/dbraw/zinc/86/35/16/1140863516.db2.gz COEXRMNVZDICIX-UHFFFAOYSA-N 2 1 345.512 3.904 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000268833410 1141003431 /nfs/dbraw/zinc/00/34/31/1141003431.db2.gz GANALQVRNXATFD-LBPRGKRZSA-N 2 1 327.350 3.831 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000268851652 1141007696 /nfs/dbraw/zinc/00/76/96/1141007696.db2.gz KGQIMOIZLJHCGE-KBPBESRZSA-N 2 1 328.485 3.973 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000268888777 1141017743 /nfs/dbraw/zinc/01/77/43/1141017743.db2.gz TZNHIYZCTXIPPZ-NSHDSACASA-N 2 1 340.240 3.834 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)cc1 ZINC000268894494 1141020315 /nfs/dbraw/zinc/02/03/15/1141020315.db2.gz JXEWZCWTSFICSI-IERDGZPVSA-N 2 1 335.451 3.873 20 0 EHADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)c1ccccc1 ZINC000268921524 1141025630 /nfs/dbraw/zinc/02/56/30/1141025630.db2.gz WVADOAGWNVBPMY-SFHVURJKSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000269008265 1141045970 /nfs/dbraw/zinc/04/59/70/1141045970.db2.gz LUXPHSTXFHPSBD-RQXATKFSSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000269008265 1141045977 /nfs/dbraw/zinc/04/59/77/1141045977.db2.gz LUXPHSTXFHPSBD-RQXATKFSSA-N 2 1 328.500 3.587 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000269013644 1141046171 /nfs/dbraw/zinc/04/61/71/1141046171.db2.gz OCRQOEGHQWJBAT-HNNXBMFYSA-N 2 1 332.488 3.680 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC000269030386 1141051523 /nfs/dbraw/zinc/05/15/23/1141051523.db2.gz ROFYZFCXHCKDEB-XPGWFJOJSA-N 2 1 334.479 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076057 1141061684 /nfs/dbraw/zinc/06/16/84/1141061684.db2.gz YNQYMRNXJAXJDS-IMFGXOCKSA-N 2 1 344.524 3.598 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000269111198 1141066775 /nfs/dbraw/zinc/06/67/75/1141066775.db2.gz VTDIHRVKSWLKIH-CWJKEVGVSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000269111198 1141066780 /nfs/dbraw/zinc/06/67/80/1141066780.db2.gz VTDIHRVKSWLKIH-CWJKEVGVSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271551319 1141395170 /nfs/dbraw/zinc/39/51/70/1141395170.db2.gz VXDFXQSXXZMTCP-PFHKOEEOSA-N 2 1 343.298 3.632 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCc2nccs2)cc1 ZINC000271572804 1141400358 /nfs/dbraw/zinc/40/03/58/1141400358.db2.gz ZJHYRQWVVGUKKY-AWEZNQCLSA-N 2 1 326.469 3.921 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000348972092 1141617510 /nfs/dbraw/zinc/61/75/10/1141617510.db2.gz ZKUUIJZAKUTVCZ-UHFFFAOYSA-N 2 1 342.531 3.629 20 0 EHADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000349145310 1141645118 /nfs/dbraw/zinc/64/51/18/1141645118.db2.gz SDPHJOSWAVKNNY-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000349145310 1141645123 /nfs/dbraw/zinc/64/51/23/1141645123.db2.gz SDPHJOSWAVKNNY-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000349145310 1141645124 /nfs/dbraw/zinc/64/51/24/1141645124.db2.gz SDPHJOSWAVKNNY-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC(C)C ZINC000349146747 1141645883 /nfs/dbraw/zinc/64/58/83/1141645883.db2.gz HNUDGCHQBGRHNT-IBGZPJMESA-N 2 1 346.515 3.646 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)s1 ZINC000019913182 212083226 /nfs/dbraw/zinc/08/32/26/212083226.db2.gz GREMNKCKZVLDLL-LBPRGKRZSA-N 2 1 331.323 3.865 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000067452984 215148081 /nfs/dbraw/zinc/14/80/81/215148081.db2.gz IFUJQZKUWSXEAT-GASCZTMLSA-N 2 1 344.421 3.684 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643711 213161531 /nfs/dbraw/zinc/16/15/31/213161531.db2.gz VHFKCYBQLDTKLS-BBRMVZONSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)s1 ZINC000019913182 212083224 /nfs/dbraw/zinc/08/32/24/212083224.db2.gz GREMNKCKZVLDLL-LBPRGKRZSA-N 2 1 331.323 3.865 20 0 EHADMP Cc1ccsc1C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275875141 564010208 /nfs/dbraw/zinc/01/02/08/564010208.db2.gz YIUGIIIBGPDSON-GOSISDBHSA-N 2 1 329.513 3.938 20 0 EHADMP Cc1ccsc1C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275875141 564010209 /nfs/dbraw/zinc/01/02/09/564010209.db2.gz YIUGIIIBGPDSON-GOSISDBHSA-N 2 1 329.513 3.938 20 0 EHADMP Cc1ccsc1C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275875141 564010210 /nfs/dbraw/zinc/01/02/10/564010210.db2.gz YIUGIIIBGPDSON-GOSISDBHSA-N 2 1 329.513 3.938 20 0 EHADMP Cc1ccsc1C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275875141 564010211 /nfs/dbraw/zinc/01/02/11/564010211.db2.gz YIUGIIIBGPDSON-GOSISDBHSA-N 2 1 329.513 3.938 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC(C(C)(C)C)C3)CC2)oc1C ZINC000459395021 1032062323 /nfs/dbraw/zinc/06/23/23/1032062323.db2.gz AMQWQPSQJFHNDK-UHFFFAOYSA-N 2 1 333.520 3.918 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537985726 1032063079 /nfs/dbraw/zinc/06/30/79/1032063079.db2.gz CQXFYANKONVBCY-BZPMIXESSA-N 2 1 331.287 3.691 20 0 EHADMP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000536662798 1032080801 /nfs/dbraw/zinc/08/08/01/1032080801.db2.gz AKXYBYVMNODTDD-LJQANCHMSA-N 2 1 328.500 3.850 20 0 EHADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000536662798 1032080815 /nfs/dbraw/zinc/08/08/15/1032080815.db2.gz AKXYBYVMNODTDD-LJQANCHMSA-N 2 1 328.500 3.850 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC000537998121 1032088636 /nfs/dbraw/zinc/08/86/36/1032088636.db2.gz NHYHBGRGFFVGMS-MRXNPFEDSA-N 2 1 336.524 3.773 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)n1 ZINC000537998121 1032088655 /nfs/dbraw/zinc/08/86/55/1032088655.db2.gz NHYHBGRGFFVGMS-MRXNPFEDSA-N 2 1 336.524 3.773 20 0 EHADMP Cc1ccc(-c2cc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)on2)cc1 ZINC000339429287 1014411283 /nfs/dbraw/zinc/41/12/83/1014411283.db2.gz RLFCRGWAAUDDMO-FQEVSTJZSA-N 2 1 325.456 3.568 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000536668113 1032092148 /nfs/dbraw/zinc/09/21/48/1032092148.db2.gz ZBTGLCZBUUQIAU-MSOLQXFVSA-N 2 1 329.532 3.695 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)s1 ZINC000643546670 1014480535 /nfs/dbraw/zinc/48/05/35/1014480535.db2.gz SPAXYRKGAQKOMX-MNOVXSKESA-N 2 1 329.307 3.836 20 0 EHADMP COc1ccc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1Cl ZINC001143373460 1014665452 /nfs/dbraw/zinc/66/54/52/1014665452.db2.gz ZRWPGIYCNHOEGN-UHFFFAOYSA-N 2 1 340.870 3.796 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2oc3ccccc3c2C)CC1 ZINC000154470569 1015470279 /nfs/dbraw/zinc/47/02/79/1015470279.db2.gz JFBYRYHVVDQJRT-GOSISDBHSA-N 2 1 343.515 3.810 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000154502963 1015505911 /nfs/dbraw/zinc/50/59/11/1015505911.db2.gz MOJPHNJKAHLMHN-HNNXBMFYSA-N 2 1 341.902 3.547 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862585 1015514630 /nfs/dbraw/zinc/51/46/30/1015514630.db2.gz DCFJNZVUUNVZMQ-KGVIQGDOSA-N 2 1 338.495 3.740 20 0 EHADMP CCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000274894725 1015592729 /nfs/dbraw/zinc/59/27/29/1015592729.db2.gz JZRBIIVHYOBGEF-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c3ccccc32)CC1 ZINC000154834134 1015838743 /nfs/dbraw/zinc/83/87/43/1015838743.db2.gz RFWBRKXMTBQAKT-INIZCTEOSA-N 2 1 342.483 3.610 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c3ccccc32)CC1 ZINC000154834255 1015844645 /nfs/dbraw/zinc/84/46/45/1015844645.db2.gz RFWBRKXMTBQAKT-MRXNPFEDSA-N 2 1 342.483 3.610 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)CC[N@H+]1C ZINC000155013878 1016055857 /nfs/dbraw/zinc/05/58/57/1016055857.db2.gz MFEOLFREPVVWCA-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449086327 1032143666 /nfs/dbraw/zinc/14/36/66/1032143666.db2.gz CEYMWRYXHGNOTL-UHFFFAOYSA-N 2 1 348.422 3.773 20 0 EHADMP COCC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000361348902 1016490523 /nfs/dbraw/zinc/49/05/23/1016490523.db2.gz PCPLZCOHACSHAR-UHFFFAOYSA-N 2 1 342.527 3.791 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000579891396 1016491369 /nfs/dbraw/zinc/49/13/69/1016491369.db2.gz PQSIKRAVMRSSMG-JHNDHUHGSA-N 2 1 328.422 3.726 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000245420700 1042504093 /nfs/dbraw/zinc/50/40/93/1042504093.db2.gz HQMJXAYXNJRXGU-SMDDNHRTSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000245420700 1042504099 /nfs/dbraw/zinc/50/40/99/1042504099.db2.gz HQMJXAYXNJRXGU-SMDDNHRTSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000245420700 1042504101 /nfs/dbraw/zinc/50/41/01/1042504101.db2.gz HQMJXAYXNJRXGU-SMDDNHRTSA-N 2 1 331.323 3.673 20 0 EHADMP c1ccc([C@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275435473 1016772439 /nfs/dbraw/zinc/77/24/39/1016772439.db2.gz DJRNSTNZGZSPDQ-VQTJNVASSA-N 2 1 328.500 3.557 20 0 EHADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828560 1016964457 /nfs/dbraw/zinc/96/44/57/1016964457.db2.gz ZXGURLNUOHJKTJ-URVUXULASA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828560 1016964474 /nfs/dbraw/zinc/96/44/74/1016964474.db2.gz ZXGURLNUOHJKTJ-URVUXULASA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828560 1016964486 /nfs/dbraw/zinc/96/44/86/1016964486.db2.gz ZXGURLNUOHJKTJ-URVUXULASA-N 3 1 343.559 3.609 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449076490 1032164711 /nfs/dbraw/zinc/16/47/11/1032164711.db2.gz SXKOBJLVWTYXNG-LLVKDONJSA-N 2 1 340.240 3.519 20 0 EHADMP COCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000459467754 1032166596 /nfs/dbraw/zinc/16/65/96/1032166596.db2.gz ZJOJEDFUEMGUOH-MRXNPFEDSA-N 2 1 342.270 3.637 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449078960 1032169224 /nfs/dbraw/zinc/16/92/24/1032169224.db2.gz NANGGNBTQGFWPN-PMACEKPBSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657838859 1032179797 /nfs/dbraw/zinc/17/97/97/1032179797.db2.gz ZOOMGBKQGSWUSF-YLJYHZDGSA-N 2 1 328.500 3.862 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)cc(C)n2)CC1)CC1CC1 ZINC000536737940 1032236464 /nfs/dbraw/zinc/23/64/64/1032236464.db2.gz AECRXNNMPCAKBX-UHFFFAOYSA-N 2 1 345.531 3.733 20 0 EHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC1)CC1CC1 ZINC000536738441 1032236772 /nfs/dbraw/zinc/23/67/72/1032236772.db2.gz UGMGUZHKHVYZCE-INIZCTEOSA-N 2 1 338.536 3.551 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC1)CC1CC1 ZINC000536738441 1032236787 /nfs/dbraw/zinc/23/67/87/1032236787.db2.gz UGMGUZHKHVYZCE-INIZCTEOSA-N 2 1 338.536 3.551 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(CSC)CC2)[C@@H](C)C1 ZINC000449144119 1032246000 /nfs/dbraw/zinc/24/60/00/1032246000.db2.gz YHYRLHBBUPDGMN-MKCYZYCBSA-N 2 1 342.593 3.635 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC[N@@H+]1C ZINC000449167641 1032260423 /nfs/dbraw/zinc/26/04/23/1032260423.db2.gz AWGUXMNBFVGNEJ-UEKVPHQBSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC[N@H+]1C ZINC000449167641 1032260429 /nfs/dbraw/zinc/26/04/29/1032260429.db2.gz AWGUXMNBFVGNEJ-UEKVPHQBSA-N 2 1 341.268 3.648 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449173994 1032267128 /nfs/dbraw/zinc/26/71/28/1032267128.db2.gz OWDIFUXKELHFRR-AGIUHOORSA-N 2 1 331.287 3.833 20 0 EHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449173994 1032267136 /nfs/dbraw/zinc/26/71/36/1032267136.db2.gz OWDIFUXKELHFRR-AGIUHOORSA-N 2 1 331.287 3.833 20 0 EHADMP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n[nH]1 ZINC000449186046 1032302915 /nfs/dbraw/zinc/30/29/15/1032302915.db2.gz HAKDTVGLOFKFNX-HNNXBMFYSA-N 2 1 334.552 3.918 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000536857412 1032354409 /nfs/dbraw/zinc/35/44/09/1032354409.db2.gz LPYJSTFGNUVCFY-FUHIMQAGSA-N 2 1 330.516 3.888 20 0 EHADMP Cc1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000449240990 1032377052 /nfs/dbraw/zinc/37/70/52/1032377052.db2.gz QJCZWYKDMDYYEQ-UHFFFAOYSA-N 2 1 327.447 3.878 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@@H](C)C1 ZINC000536882747 1032386863 /nfs/dbraw/zinc/38/68/63/1032386863.db2.gz MSGOTHOTVNWFRY-LPHOPBHVSA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@@H](C)C1 ZINC000536882747 1032386875 /nfs/dbraw/zinc/38/68/75/1032386875.db2.gz MSGOTHOTVNWFRY-LPHOPBHVSA-N 2 1 346.515 3.837 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@@](C)(F)C1)C1CC[NH+](C)CC1 ZINC000449348819 1032465457 /nfs/dbraw/zinc/46/54/57/1032465457.db2.gz HBOYMOFXVZUPAC-HXUWFJFHSA-N 2 1 333.495 3.541 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797893 1032480156 /nfs/dbraw/zinc/48/01/56/1032480156.db2.gz XCPDBZBTTDEDJY-HOCLYGCPSA-N 2 1 328.422 3.958 20 0 EHADMP CC1(C)C[N@H+](Cc2cc[nH]n2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414482 1032519008 /nfs/dbraw/zinc/51/90/08/1032519008.db2.gz MFKGJSCUNCEASY-FQEVSTJZSA-N 2 1 338.499 3.532 20 0 EHADMP CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414482 1032519010 /nfs/dbraw/zinc/51/90/10/1032519010.db2.gz MFKGJSCUNCEASY-FQEVSTJZSA-N 2 1 338.499 3.532 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000090590757 1032588109 /nfs/dbraw/zinc/58/81/09/1032588109.db2.gz WVHNHDLICGTKTA-CJNGLKHVSA-N 2 1 339.321 3.657 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655690501 1017391391 /nfs/dbraw/zinc/39/13/91/1017391391.db2.gz BPMGYMHKTHCMAB-FXAWDEMLSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655690501 1017391400 /nfs/dbraw/zinc/39/14/00/1017391400.db2.gz BPMGYMHKTHCMAB-FXAWDEMLSA-N 2 1 338.499 3.740 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2)CC1 ZINC000655692075 1017400722 /nfs/dbraw/zinc/40/07/22/1017400722.db2.gz DJPLYYVVUGGCTQ-FQEVSTJZSA-N 2 1 338.499 3.740 20 0 EHADMP c1ccc2cc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000655702006 1017425713 /nfs/dbraw/zinc/42/57/13/1017425713.db2.gz MWVUNPXADHHGMG-QFIPXVFZSA-N 2 1 338.495 3.615 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000655711699 1017433644 /nfs/dbraw/zinc/43/36/44/1017433644.db2.gz KYKRCSFPYBXHHI-INIZCTEOSA-N 2 1 329.513 3.858 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000655711699 1017433652 /nfs/dbraw/zinc/43/36/52/1017433652.db2.gz KYKRCSFPYBXHHI-INIZCTEOSA-N 2 1 329.513 3.858 20 0 EHADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C[NH3+])C3CCCC3)cc2)cs1 ZINC000415063240 1017491896 /nfs/dbraw/zinc/49/18/96/1017491896.db2.gz HKJDAFFWDUQZQQ-IBGZPJMESA-N 2 1 345.512 3.638 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738176 1017501387 /nfs/dbraw/zinc/50/13/87/1017501387.db2.gz SQVKHFMENASMDR-HOJAQTOUSA-N 2 1 338.499 3.608 20 0 EHADMP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)c1 ZINC000415077756 1017511821 /nfs/dbraw/zinc/51/18/21/1017511821.db2.gz FFXBXFQRRGSKMS-FGZHOGPDSA-N 2 1 346.478 3.514 20 0 EHADMP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415073325 1017513498 /nfs/dbraw/zinc/51/34/98/1017513498.db2.gz AWFCYCYXVOTCLB-ZTNFWEORSA-N 2 1 328.431 3.676 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000655744602 1017514787 /nfs/dbraw/zinc/51/47/87/1017514787.db2.gz SHAFMQPGTLPENS-VCSGRIEYSA-N 2 1 338.499 3.594 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415087668 1017537245 /nfs/dbraw/zinc/53/72/45/1017537245.db2.gz LEVXELXLPARCTR-UCLAIMLFSA-N 2 1 328.431 3.978 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000655756149 1017547249 /nfs/dbraw/zinc/54/72/49/1017547249.db2.gz PFZWRCGSSMHWMN-WMLDXEAASA-N 2 1 345.512 3.590 20 0 EHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000415109092 1017564511 /nfs/dbraw/zinc/56/45/11/1017564511.db2.gz NOPRHVLEWSQZEF-DLBZAZTESA-N 2 1 343.298 3.712 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000137640848 1017729020 /nfs/dbraw/zinc/72/90/20/1017729020.db2.gz KWTKAGCXSDIIFW-MOPGFXCFSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000137640848 1017729028 /nfs/dbraw/zinc/72/90/28/1017729028.db2.gz KWTKAGCXSDIIFW-MOPGFXCFSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000137640848 1017729034 /nfs/dbraw/zinc/72/90/34/1017729034.db2.gz KWTKAGCXSDIIFW-MOPGFXCFSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000137640848 1017729039 /nfs/dbraw/zinc/72/90/39/1017729039.db2.gz KWTKAGCXSDIIFW-MOPGFXCFSA-N 2 1 345.531 3.745 20 0 EHADMP CCN1CCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340464305 1017934762 /nfs/dbraw/zinc/93/47/62/1017934762.db2.gz NXPKBWFIPQPWFH-XVAXZDLZSA-N 2 1 329.532 3.504 20 0 EHADMP CN(Cc1cccc(Cl)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109985 1018012378 /nfs/dbraw/zinc/01/23/78/1018012378.db2.gz BFMWLGUOYDAECI-QGZVFWFLSA-N 2 1 329.875 3.689 20 0 EHADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340500290 1018154177 /nfs/dbraw/zinc/15/41/77/1018154177.db2.gz RDKRYZDLWINFQS-GHTZIAJQSA-N 2 1 336.479 3.881 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000236779457 1018171303 /nfs/dbraw/zinc/17/13/03/1018171303.db2.gz RQPSDXIYTMYDSV-UHFFFAOYSA-N 2 1 330.394 3.592 20 0 EHADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@H]3CCC=CO3)CC2)cc1 ZINC000897567419 1032790670 /nfs/dbraw/zinc/79/06/70/1032790670.db2.gz BACFLSQCZKWUBV-HXUWFJFHSA-N 2 1 326.484 3.766 20 0 EHADMP Cc1cnccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580276438 1018912753 /nfs/dbraw/zinc/91/27/53/1018912753.db2.gz XTJIYEMUQSOZLN-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cnccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580276438 1018912766 /nfs/dbraw/zinc/91/27/66/1018912766.db2.gz XTJIYEMUQSOZLN-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cnccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580276438 1018912777 /nfs/dbraw/zinc/91/27/77/1018912777.db2.gz XTJIYEMUQSOZLN-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1cnccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580276438 1018912783 /nfs/dbraw/zinc/91/27/83/1018912783.db2.gz XTJIYEMUQSOZLN-QFIPXVFZSA-N 2 1 335.495 3.878 20 0 EHADMP Cc1ncoc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000894183626 1019081345 /nfs/dbraw/zinc/08/13/45/1019081345.db2.gz FFADTCUHGVFAFH-HOTGVXAUSA-N 2 1 327.472 3.751 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4[nH]3)c2)CCO1 ZINC000683926505 1019289739 /nfs/dbraw/zinc/28/97/39/1019289739.db2.gz IQFGKHPKMDLQTO-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4[nH]3)c2)CCO1 ZINC000683926505 1019289749 /nfs/dbraw/zinc/28/97/49/1019289749.db2.gz IQFGKHPKMDLQTO-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000564826079 1019426408 /nfs/dbraw/zinc/42/64/08/1019426408.db2.gz AVIUTWXBJJICFS-XYPHTWIQSA-N 2 1 344.421 3.639 20 0 EHADMP Cn1cc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(C)(C)C)cn1 ZINC000513325820 1019532540 /nfs/dbraw/zinc/53/25/40/1019532540.db2.gz LDPPALZEWFKEOX-LJQANCHMSA-N 2 1 332.536 3.894 20 0 EHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000513510046 1019754064 /nfs/dbraw/zinc/75/40/64/1019754064.db2.gz YBAWKSRWXLAPBW-PKOBYXMFSA-N 2 1 336.545 3.662 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000513499939 1019756939 /nfs/dbraw/zinc/75/69/39/1019756939.db2.gz JQGHEILSUXCIAG-QUCCMNQESA-N 2 1 348.494 3.725 20 0 EHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000513517157 1019766210 /nfs/dbraw/zinc/76/62/10/1019766210.db2.gz FPBYFJBVSADGBO-NRMGUKERSA-N 2 1 336.907 3.570 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000047978314 1019796551 /nfs/dbraw/zinc/79/65/51/1019796551.db2.gz MSIZUAZZMZIRAK-UHFFFAOYSA-N 2 1 342.487 3.599 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261774035 1020243794 /nfs/dbraw/zinc/24/37/94/1020243794.db2.gz XGJKDNILKWMBSY-UWHLTILDSA-N 2 1 329.532 3.580 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000280249401 1020244289 /nfs/dbraw/zinc/24/42/89/1020244289.db2.gz IUQQHHFBWDXCOE-CYBMUJFWSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000280400876 1020364263 /nfs/dbraw/zinc/36/42/63/1020364263.db2.gz XQZDXVXKMYDKCN-KGLIPLIRSA-N 2 1 326.406 3.710 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(Br)c1 ZINC000130148501 1020443595 /nfs/dbraw/zinc/44/35/95/1020443595.db2.gz GCRYCSFPMJWEAG-MRVWCRGKSA-N 2 1 341.268 3.866 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000276152319 1020745101 /nfs/dbraw/zinc/74/51/01/1020745101.db2.gz DDHDWSXHBFQLTQ-UHFFFAOYSA-N 2 1 345.512 3.904 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC(F)(F)C3)C2)s1 ZINC000581432183 1020909427 /nfs/dbraw/zinc/90/94/27/1020909427.db2.gz MYPDWBNZCBAROI-AWEZNQCLSA-N 2 1 328.472 3.856 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC(F)(F)C3)C2)s1 ZINC000581432183 1020909433 /nfs/dbraw/zinc/90/94/33/1020909433.db2.gz MYPDWBNZCBAROI-AWEZNQCLSA-N 2 1 328.472 3.856 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC(F)(F)C3)C2)s1 ZINC000581432183 1020909437 /nfs/dbraw/zinc/90/94/37/1020909437.db2.gz MYPDWBNZCBAROI-AWEZNQCLSA-N 2 1 328.472 3.856 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000507422807 1021255398 /nfs/dbraw/zinc/25/53/98/1021255398.db2.gz QBAMNKHGAWQNME-ZHALLVOQSA-N 2 1 328.504 3.808 20 0 EHADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000507422807 1021255405 /nfs/dbraw/zinc/25/54/05/1021255405.db2.gz QBAMNKHGAWQNME-ZHALLVOQSA-N 2 1 328.504 3.808 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000518810077 1021473428 /nfs/dbraw/zinc/47/34/28/1021473428.db2.gz SFCABWYHCRJXOW-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1O ZINC000426404155 1021507711 /nfs/dbraw/zinc/50/77/11/1021507711.db2.gz HMCJUKFIDKFYAO-WWMYMODYSA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426423474 1021549590 /nfs/dbraw/zinc/54/95/90/1021549590.db2.gz ZCSUSHPVLKFMQV-FGTMMUONSA-N 2 1 348.531 3.680 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(n2)CCC3)C[N@H+]1Cc1ccccc1 ZINC000519689560 1021625063 /nfs/dbraw/zinc/62/50/63/1021625063.db2.gz GPPFBBNIVGCRNH-ICSRJNTNSA-N 2 1 349.522 3.961 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819620 1021754643 /nfs/dbraw/zinc/75/46/43/1021754643.db2.gz WUDXYRRTLWYVGO-VQIMIIECSA-N 2 1 338.923 3.985 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1 ZINC000516819620 1021754659 /nfs/dbraw/zinc/75/46/59/1021754659.db2.gz WUDXYRRTLWYVGO-VQIMIIECSA-N 2 1 338.923 3.985 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440814118 1021787070 /nfs/dbraw/zinc/78/70/70/1021787070.db2.gz YFEHAYUXFHWLQW-UHFFFAOYSA-N 2 1 340.393 3.559 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188104680 1021838538 /nfs/dbraw/zinc/83/85/38/1021838538.db2.gz WFDSNOVVSKAHTB-YADHBBJMSA-N 2 1 344.543 3.976 20 0 EHADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000415009094 1021973294 /nfs/dbraw/zinc/97/32/94/1021973294.db2.gz FIUMNBANEVLKOZ-ZIAGYGMSSA-N 2 1 348.874 3.753 20 0 EHADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000415009091 1021974357 /nfs/dbraw/zinc/97/43/57/1021974357.db2.gz FIUMNBANEVLKOZ-KGLIPLIRSA-N 2 1 348.874 3.753 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000276629583 1022022554 /nfs/dbraw/zinc/02/25/54/1022022554.db2.gz JGMSGIJFKQEPST-FQEVSTJZSA-N 2 1 341.405 3.814 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000276629589 1022023699 /nfs/dbraw/zinc/02/36/99/1022023699.db2.gz JGMSGIJFKQEPST-HXUWFJFHSA-N 2 1 341.405 3.814 20 0 EHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276631267 1022026022 /nfs/dbraw/zinc/02/60/22/1022026022.db2.gz JLZSORXMHJYZHO-LBPRGKRZSA-N 2 1 344.459 3.884 20 0 EHADMP CCOC1CC(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000276674291 1022165278 /nfs/dbraw/zinc/16/52/78/1022165278.db2.gz SAMJMMFHNXMJKZ-PPXMBRMGSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000083474222 1022207098 /nfs/dbraw/zinc/20/70/98/1022207098.db2.gz BJAJTRVCHWLULD-CRAIPNDOSA-N 2 1 329.875 3.878 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000083474222 1022207117 /nfs/dbraw/zinc/20/71/17/1022207117.db2.gz BJAJTRVCHWLULD-CRAIPNDOSA-N 2 1 329.875 3.878 20 0 EHADMP CCc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409761 1022219585 /nfs/dbraw/zinc/21/95/85/1022219585.db2.gz JVSNPCYPKQFSIX-NQIIRXRSSA-N 2 1 328.500 3.577 20 0 EHADMP OC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000574321578 1033039257 /nfs/dbraw/zinc/03/92/57/1033039257.db2.gz JSSVZOWDZKAIBO-SFTDATJTSA-N 2 1 336.479 3.507 20 0 EHADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321564 1033039399 /nfs/dbraw/zinc/03/93/99/1033039399.db2.gz JLDIEHANNVDNKK-SXLOBPIMSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574321564 1033039413 /nfs/dbraw/zinc/03/94/13/1033039413.db2.gz JLDIEHANNVDNKK-SXLOBPIMSA-N 2 1 330.516 3.570 20 0 EHADMP Fc1cccc2[nH]c(CN3CC[C@H](n4cnc5c4CCCC5)C3)cc21 ZINC000437978527 1022302029 /nfs/dbraw/zinc/30/20/29/1022302029.db2.gz MREIHSVHRHHSRQ-HNNXBMFYSA-N 2 1 338.430 3.829 20 0 EHADMP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)C[NH+](C)C ZINC000425941203 1022327781 /nfs/dbraw/zinc/32/77/81/1022327781.db2.gz BNKGFAGXBFUGJP-BZNIZROVSA-N 2 1 343.284 3.827 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OCCC(C)C ZINC000341582650 1022390955 /nfs/dbraw/zinc/39/09/55/1022390955.db2.gz GMKGMPDUANGHLF-INIZCTEOSA-N 2 1 345.487 3.976 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167971250 1022403738 /nfs/dbraw/zinc/40/37/38/1022403738.db2.gz VFZDECRUZOURDH-UDEWTMQYSA-N 2 1 340.511 3.548 20 0 EHADMP FC(F)(F)c1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167971583 1022425346 /nfs/dbraw/zinc/42/53/46/1022425346.db2.gz ZJVDPULZXXDLSV-ALOPSCKCSA-N 2 1 339.405 3.595 20 0 EHADMP FC(F)(F)c1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167971583 1022425356 /nfs/dbraw/zinc/42/53/56/1022425356.db2.gz ZJVDPULZXXDLSV-ALOPSCKCSA-N 2 1 339.405 3.595 20 0 EHADMP Fc1ccc(O[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167996014 1022552825 /nfs/dbraw/zinc/55/28/25/1022552825.db2.gz VCUCPSQFSGDUHO-KXZRCVDZSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1ccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167996014 1022552836 /nfs/dbraw/zinc/55/28/36/1022552836.db2.gz VCUCPSQFSGDUHO-KXZRCVDZSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1ccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167996014 1022552847 /nfs/dbraw/zinc/55/28/47/1022552847.db2.gz VCUCPSQFSGDUHO-KXZRCVDZSA-N 2 1 344.474 3.684 20 0 EHADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OC(C)C ZINC000131833405 1022679848 /nfs/dbraw/zinc/67/98/48/1022679848.db2.gz HNHQHHONWYBGEV-AYHJJNSGSA-N 2 1 332.488 3.587 20 0 EHADMP COC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCC1 ZINC000519566342 1022709714 /nfs/dbraw/zinc/70/97/14/1022709714.db2.gz JFJCCDDWPVCKSC-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000519566342 1022709731 /nfs/dbraw/zinc/70/97/31/1022709731.db2.gz JFJCCDDWPVCKSC-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000519566342 1022709745 /nfs/dbraw/zinc/70/97/45/1022709745.db2.gz JFJCCDDWPVCKSC-FQEVSTJZSA-N 2 1 328.500 3.544 20 0 EHADMP Cc1ccc2cc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)oc2c1 ZINC000426046978 1022761297 /nfs/dbraw/zinc/76/12/97/1022761297.db2.gz YUMFOAUTVIFWGF-SJLPKXTDSA-N 2 1 330.472 3.629 20 0 EHADMP Fc1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167981674 1022784949 /nfs/dbraw/zinc/78/49/49/1022784949.db2.gz DTNZIFRHHUPPRN-UDEWTMQYSA-N 2 1 328.475 3.678 20 0 EHADMP Fc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)c1F ZINC000426059538 1022788397 /nfs/dbraw/zinc/78/83/97/1022788397.db2.gz FMJASBNQPOJEST-CVEARBPZSA-N 2 1 334.454 3.993 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188558883 1022827321 /nfs/dbraw/zinc/82/73/21/1022827321.db2.gz USSYTQWLIGIWMN-LBTNJELSSA-N 2 1 333.907 3.693 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)ccc1SC(F)F ZINC000293644520 1022881623 /nfs/dbraw/zinc/88/16/23/1022881623.db2.gz KZHOCSQTVHTFNU-RYUDHWBXSA-N 2 1 332.460 3.858 20 0 EHADMP Cc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3F)CC2)[nH+]c1 ZINC000189358776 1023014768 /nfs/dbraw/zinc/01/47/68/1023014768.db2.gz AFKPXDRHYLWCDX-UHFFFAOYSA-N 2 1 333.838 3.941 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccccc2)[C@@H]2CCCC2(C)C)n1 ZINC000431078564 1023234246 /nfs/dbraw/zinc/23/42/46/1023234246.db2.gz UUKIMHQXTOVPGT-MRXNPFEDSA-N 2 1 342.487 3.844 20 0 EHADMP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccccc2)[C@@H]2CCCC2(C)C)n1 ZINC000431078564 1023234252 /nfs/dbraw/zinc/23/42/52/1023234252.db2.gz UUKIMHQXTOVPGT-MRXNPFEDSA-N 2 1 342.487 3.844 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000439089111 1023265162 /nfs/dbraw/zinc/26/51/62/1023265162.db2.gz VSKCYGOSVFVQRA-JKSUJKDBSA-N 2 1 347.503 3.569 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000439089111 1023265168 /nfs/dbraw/zinc/26/51/68/1023265168.db2.gz VSKCYGOSVFVQRA-JKSUJKDBSA-N 2 1 347.503 3.569 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000439089108 1023266164 /nfs/dbraw/zinc/26/61/64/1023266164.db2.gz VSKCYGOSVFVQRA-HZPDHXFCSA-N 2 1 347.503 3.569 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000439089108 1023266172 /nfs/dbraw/zinc/26/61/72/1023266172.db2.gz VSKCYGOSVFVQRA-HZPDHXFCSA-N 2 1 347.503 3.569 20 0 EHADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000295604277 1023269116 /nfs/dbraw/zinc/26/91/16/1023269116.db2.gz FXGJZMYTSSDPRE-BEFAXECRSA-N 2 1 330.497 3.753 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000092588006 1023455979 /nfs/dbraw/zinc/45/59/79/1023455979.db2.gz CBIDQMXQOQAPRL-DLBZAZTESA-N 2 1 332.536 3.794 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3csc(C)c3C)CC2)oc1C ZINC000631069615 1024097993 /nfs/dbraw/zinc/09/79/93/1024097993.db2.gz DQIJGLRIGCZUHX-UHFFFAOYSA-N 2 1 347.528 3.972 20 0 EHADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2c(Br)cccc12 ZINC000443522457 1024099227 /nfs/dbraw/zinc/09/92/27/1024099227.db2.gz MEGXRKFSGDOSGI-RYUDHWBXSA-N 2 1 334.261 3.526 20 0 EHADMP CCC(CC)(C[NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000236723345 1024099335 /nfs/dbraw/zinc/09/93/35/1024099335.db2.gz SJUHBUDFXGQGKK-UHFFFAOYSA-N 2 1 342.487 3.758 20 0 EHADMP C[C@@H](CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044282 1024254691 /nfs/dbraw/zinc/25/46/91/1024254691.db2.gz GUCGIHNOWDZZMX-PZJWPPBQSA-N 2 1 330.516 3.790 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000346124576 1024425874 /nfs/dbraw/zinc/42/58/74/1024425874.db2.gz CQJMTWFEYRBCTI-NSISKUIASA-N 2 1 341.499 3.801 20 0 EHADMP Cc1ccc(CCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000474161561 1024473815 /nfs/dbraw/zinc/47/38/15/1024473815.db2.gz VPHGQSXFSXEGAH-CTNGQTDRSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000474161561 1024473820 /nfs/dbraw/zinc/47/38/20/1024473820.db2.gz VPHGQSXFSXEGAH-CTNGQTDRSA-N 2 1 329.532 3.909 20 0 EHADMP Cc1ccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000474161561 1024473830 /nfs/dbraw/zinc/47/38/30/1024473830.db2.gz VPHGQSXFSXEGAH-CTNGQTDRSA-N 2 1 329.532 3.909 20 0 EHADMP C[NH2+]CCC[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC000414857523 1024495859 /nfs/dbraw/zinc/49/58/59/1024495859.db2.gz DRAPSWZXJMRDLQ-UHFFFAOYSA-N 2 1 331.323 3.649 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000280965532 1024499318 /nfs/dbraw/zinc/49/93/18/1024499318.db2.gz SQPVKCHWBXSNND-KZNAEPCWSA-N 2 1 348.531 3.906 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)[C@H]1c1cccs1 ZINC000657886198 1033215804 /nfs/dbraw/zinc/21/58/04/1033215804.db2.gz CYFMNFFVFQLUJC-CJNGLKHVSA-N 2 1 328.472 3.808 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)[C@H]1c1cccs1 ZINC000657886198 1033215810 /nfs/dbraw/zinc/21/58/10/1033215810.db2.gz CYFMNFFVFQLUJC-CJNGLKHVSA-N 2 1 328.472 3.808 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C)c3ccccc3n2)CC1 ZINC000114475715 1024589415 /nfs/dbraw/zinc/58/94/15/1024589415.db2.gz WESXNHPEFGEFKO-UHFFFAOYSA-N 2 1 340.515 3.882 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](CC(C)C)c3ccccc3)C2)CC1 ZINC000474275700 1024665491 /nfs/dbraw/zinc/66/54/91/1024665491.db2.gz PEGCVTUYEGKKAL-FCHUYYIVSA-N 2 1 343.559 3.528 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000665231999 1024687168 /nfs/dbraw/zinc/68/71/68/1024687168.db2.gz CVLVFDZZZXGABS-BHDDXSALSA-N 2 1 335.495 3.802 20 0 EHADMP C[C@@H]1CC(N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168031792 1024700723 /nfs/dbraw/zinc/70/07/23/1024700723.db2.gz FBUZKJORQFBGQV-OPYAIIAOSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032124 1024701285 /nfs/dbraw/zinc/70/12/85/1024701285.db2.gz FHLBBGIRIZUIDX-IZZQQSIFSA-N 2 1 329.532 3.500 20 0 EHADMP C[C@@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032124 1024701300 /nfs/dbraw/zinc/70/13/00/1024701300.db2.gz FHLBBGIRIZUIDX-IZZQQSIFSA-N 2 1 329.532 3.500 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000346474366 1024761340 /nfs/dbraw/zinc/76/13/40/1024761340.db2.gz CVBCCHCHFSBOLH-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000346474366 1024761350 /nfs/dbraw/zinc/76/13/50/1024761350.db2.gz CVBCCHCHFSBOLH-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCCO4)C3)C2)cc1 ZINC000346474366 1024761364 /nfs/dbraw/zinc/76/13/64/1024761364.db2.gz CVBCCHCHFSBOLH-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2c(F)cc(C)cc2F)CC1 ZINC000425339652 1024788212 /nfs/dbraw/zinc/78/82/12/1024788212.db2.gz STTOSMPVXXROOK-UHFFFAOYSA-N 2 1 340.458 3.596 20 0 EHADMP Fc1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cccc1OC1CC1 ZINC000665244447 1024806864 /nfs/dbraw/zinc/80/68/64/1024806864.db2.gz NGIYEXNCQWKXCG-RCCFBDPRSA-N 2 1 332.463 3.767 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H]2CCC[C@@H]21 ZINC000514878233 1024820459 /nfs/dbraw/zinc/82/04/59/1024820459.db2.gz VAPOEQPDGNTSRW-PCCBWWKXSA-N 2 1 342.527 3.788 20 0 EHADMP CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435388372 1024873025 /nfs/dbraw/zinc/87/30/25/1024873025.db2.gz FSEFLZMBTFEPCN-FQEVSTJZSA-N 2 1 339.483 3.625 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000157634688 1024972967 /nfs/dbraw/zinc/97/29/67/1024972967.db2.gz CHSRIQPNZVNLDC-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CC3)CC2)cc1F ZINC000665260092 1025045716 /nfs/dbraw/zinc/04/57/16/1025045716.db2.gz XOQVFTKXJNKKEY-WMZOPIPTSA-N 2 1 332.463 3.592 20 0 EHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000346874736 1025268016 /nfs/dbraw/zinc/26/80/16/1025268016.db2.gz PSWCCVVGEIWHRM-DLBZAZTESA-N 2 1 332.488 3.763 20 0 EHADMP Fc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1C(F)(F)F ZINC000414878489 1025389088 /nfs/dbraw/zinc/38/90/88/1025389088.db2.gz NTXNVHYNVJQHIC-UHFFFAOYSA-N 2 1 341.352 3.509 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000346992101 1025393610 /nfs/dbraw/zinc/39/36/10/1025393610.db2.gz ACQZPAQCUYOGOY-DLBZAZTESA-N 2 1 326.488 3.555 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C3)cs1 ZINC000346993976 1025396758 /nfs/dbraw/zinc/39/67/58/1025396758.db2.gz UWGZMEHEWHZHFB-CYBMUJFWSA-N 2 1 333.526 3.538 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C3)cs1 ZINC000346993976 1025396767 /nfs/dbraw/zinc/39/67/67/1025396767.db2.gz UWGZMEHEWHZHFB-CYBMUJFWSA-N 2 1 333.526 3.538 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754595 1025466260 /nfs/dbraw/zinc/46/62/60/1025466260.db2.gz BFMZQKLGGBMOLQ-ZFWWWQNUSA-N 2 1 332.394 3.926 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754595 1025466267 /nfs/dbraw/zinc/46/62/67/1025466267.db2.gz BFMZQKLGGBMOLQ-ZFWWWQNUSA-N 2 1 332.394 3.926 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(OC)c1 ZINC000530217885 1025513381 /nfs/dbraw/zinc/51/33/81/1025513381.db2.gz IPHWQPLITJLXNC-XAUMDUMWSA-N 2 1 340.467 3.848 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442933005 1025596608 /nfs/dbraw/zinc/59/66/08/1025596608.db2.gz ZHBHCLGFVYAPNL-KRWDZBQOSA-N 2 1 326.488 3.557 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000347194494 1025660969 /nfs/dbraw/zinc/66/09/69/1025660969.db2.gz GYSXYNHPZHRNDA-FUHWJXTLSA-N 2 1 342.458 3.964 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374105 1025669186 /nfs/dbraw/zinc/66/91/86/1025669186.db2.gz DYROMAXHWVOOEC-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374105 1025669193 /nfs/dbraw/zinc/66/91/93/1025669193.db2.gz DYROMAXHWVOOEC-DNVCBOLYSA-N 2 1 344.528 3.532 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000436414514 1025692742 /nfs/dbraw/zinc/69/27/42/1025692742.db2.gz VJTPILBGEFTHCU-UHFFFAOYSA-N 2 1 342.874 3.625 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3CCO[C@H](C)C3)C[C@@H]21 ZINC001168128908 1025769472 /nfs/dbraw/zinc/76/94/72/1025769472.db2.gz UVFQIOYLZWPTET-ZALSBGIRSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@H]3CCO[C@H](C)C3)C[C@@H]21 ZINC001168128908 1025769493 /nfs/dbraw/zinc/76/94/93/1025769493.db2.gz UVFQIOYLZWPTET-ZALSBGIRSA-N 2 1 328.500 3.664 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CCO[C@H](C)C3)C[C@@H]21 ZINC001168128908 1025769509 /nfs/dbraw/zinc/76/95/09/1025769509.db2.gz UVFQIOYLZWPTET-ZALSBGIRSA-N 2 1 328.500 3.664 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168044075 1025776377 /nfs/dbraw/zinc/77/63/77/1025776377.db2.gz FEWAXGRUGGGWKX-WKASQICBSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CC[C@H](O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044075 1025776395 /nfs/dbraw/zinc/77/63/95/1025776395.db2.gz FEWAXGRUGGGWKX-WKASQICBSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CC[C@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044075 1025776411 /nfs/dbraw/zinc/77/64/11/1025776411.db2.gz FEWAXGRUGGGWKX-WKASQICBSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044075 1025776432 /nfs/dbraw/zinc/77/64/32/1025776432.db2.gz FEWAXGRUGGGWKX-WKASQICBSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044075 1025776451 /nfs/dbraw/zinc/77/64/51/1025776451.db2.gz FEWAXGRUGGGWKX-WKASQICBSA-N 2 1 330.516 3.663 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407322 1025779648 /nfs/dbraw/zinc/77/96/48/1025779648.db2.gz PWDBRBSYXJWRTC-AWEZNQCLSA-N 2 1 340.496 3.669 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053106 1026021047 /nfs/dbraw/zinc/02/10/47/1026021047.db2.gz MYWKKZRCPMDUTJ-HATOLVCRSA-N 3 1 343.559 3.702 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053106 1026021062 /nfs/dbraw/zinc/02/10/62/1026021062.db2.gz MYWKKZRCPMDUTJ-HATOLVCRSA-N 3 1 343.559 3.702 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053106 1026021083 /nfs/dbraw/zinc/02/10/83/1026021083.db2.gz MYWKKZRCPMDUTJ-HATOLVCRSA-N 3 1 343.559 3.702 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168053106 1026021102 /nfs/dbraw/zinc/02/11/02/1026021102.db2.gz MYWKKZRCPMDUTJ-HATOLVCRSA-N 2 1 343.559 3.702 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168053106 1026021121 /nfs/dbraw/zinc/02/11/21/1026021121.db2.gz MYWKKZRCPMDUTJ-HATOLVCRSA-N 2 1 343.559 3.702 20 0 EHADMP Clc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000192165825 1026112400 /nfs/dbraw/zinc/11/24/00/1026112400.db2.gz YTMDOLBLTDZHIC-LBPRGKRZSA-N 2 1 343.696 3.676 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000530623580 1026146854 /nfs/dbraw/zinc/14/68/54/1026146854.db2.gz YUVPISSOUJGONR-KRWDZBQOSA-N 2 1 336.907 3.773 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530623580 1026146863 /nfs/dbraw/zinc/14/68/63/1026146863.db2.gz YUVPISSOUJGONR-KRWDZBQOSA-N 2 1 336.907 3.773 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000530623580 1026146874 /nfs/dbraw/zinc/14/68/74/1026146874.db2.gz YUVPISSOUJGONR-KRWDZBQOSA-N 2 1 336.907 3.773 20 0 EHADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122010541 1026151218 /nfs/dbraw/zinc/15/12/18/1026151218.db2.gz PSYSXUSIXPRBNG-HNNXBMFYSA-N 2 1 332.492 3.596 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000152487955 1026215018 /nfs/dbraw/zinc/21/50/18/1026215018.db2.gz HLFCARWILGOSNV-CXAGYDPISA-N 2 1 337.305 3.974 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000152487955 1026215027 /nfs/dbraw/zinc/21/50/27/1026215027.db2.gz HLFCARWILGOSNV-CXAGYDPISA-N 2 1 337.305 3.974 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1)CC1CC1 ZINC000475334843 1026489482 /nfs/dbraw/zinc/48/94/82/1026489482.db2.gz VVPCMNKSGXILMC-OAQYLSRUSA-N 2 1 336.564 3.762 20 0 EHADMP Cc1cc(C)cc(OCCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000475357231 1026508833 /nfs/dbraw/zinc/50/88/33/1026508833.db2.gz ZEZAGUUGBBDVTP-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475357231 1026508836 /nfs/dbraw/zinc/50/88/36/1026508836.db2.gz ZEZAGUUGBBDVTP-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475357231 1026508839 /nfs/dbraw/zinc/50/88/39/1026508839.db2.gz ZEZAGUUGBBDVTP-FQEVSTJZSA-N 2 1 330.516 3.736 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000325057941 1026541864 /nfs/dbraw/zinc/54/18/64/1026541864.db2.gz RXUBDPYQBANIAB-FHLIZLRMSA-N 2 1 338.442 3.826 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000325057941 1026541868 /nfs/dbraw/zinc/54/18/68/1026541868.db2.gz RXUBDPYQBANIAB-FHLIZLRMSA-N 2 1 338.442 3.826 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000657491461 1026750859 /nfs/dbraw/zinc/75/08/59/1026750859.db2.gz GHPTVJGGDDVVLC-QGZVFWFLSA-N 2 1 329.513 3.940 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000582633937 1026831137 /nfs/dbraw/zinc/83/11/37/1026831137.db2.gz YJDHSIIRWZAFOI-AWEZNQCLSA-N 2 1 348.384 3.587 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000582633937 1026831144 /nfs/dbraw/zinc/83/11/44/1026831144.db2.gz YJDHSIIRWZAFOI-AWEZNQCLSA-N 2 1 348.384 3.587 20 0 EHADMP CC[N@H+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066654 1026938230 /nfs/dbraw/zinc/93/82/30/1026938230.db2.gz QUKRRZPAJFNBFN-OALUTQOASA-N 2 1 343.559 3.844 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301800351 1026942992 /nfs/dbraw/zinc/94/29/92/1026942992.db2.gz VPXNSUFNUOGQFF-IFXJQAMLSA-N 2 1 325.431 3.827 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301800351 1026942998 /nfs/dbraw/zinc/94/29/98/1026942998.db2.gz VPXNSUFNUOGQFF-IFXJQAMLSA-N 2 1 325.431 3.827 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000657527687 1026987042 /nfs/dbraw/zinc/98/70/42/1026987042.db2.gz XKVCJMBCXATYKL-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527687 1026987045 /nfs/dbraw/zinc/98/70/45/1026987045.db2.gz XKVCJMBCXATYKL-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000657527687 1026987049 /nfs/dbraw/zinc/98/70/49/1026987049.db2.gz XKVCJMBCXATYKL-MISYRCLQSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535569 1027025284 /nfs/dbraw/zinc/02/52/84/1027025284.db2.gz OBVNAYSVSLORCP-QUCCMNQESA-N 2 1 335.495 3.972 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535569 1027025294 /nfs/dbraw/zinc/02/52/94/1027025294.db2.gz OBVNAYSVSLORCP-QUCCMNQESA-N 2 1 335.495 3.972 20 0 EHADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](C)[NH+]1CCN(CC)CC1 ZINC000302051376 1027035833 /nfs/dbraw/zinc/03/58/33/1027035833.db2.gz OTSUJSNIROGMQU-MRXNPFEDSA-N 2 1 340.515 3.544 20 0 EHADMP Cc1nc2c(c(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n1)CCCC2 ZINC000302063973 1027039742 /nfs/dbraw/zinc/03/97/42/1027039742.db2.gz VFDVUOSQTAEFHR-SJLPKXTDSA-N 2 1 342.531 3.755 20 0 EHADMP Cc1ccc2[nH+]ccc(NC[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221893 1027093338 /nfs/dbraw/zinc/09/33/38/1027093338.db2.gz MQSHEFWQTGUFAQ-RTBURBONSA-N 2 1 347.462 3.591 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC(C)(C)C[NH+](C)C ZINC001279591446 1027185143 /nfs/dbraw/zinc/18/51/43/1027185143.db2.gz PDLLRTWWLIFQAZ-UFYCRDLUSA-N 2 1 337.596 3.939 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccn(C)c2)C1 ZINC000123359633 1027186287 /nfs/dbraw/zinc/18/62/87/1027186287.db2.gz LVBVXADMVKOIKP-HDICACEKSA-N 2 1 325.500 3.793 20 0 EHADMP CCc1nc(C[NH+]2CCC(CNc3cc[nH+]c(C)c3)CC2)cs1 ZINC000302561937 1027197013 /nfs/dbraw/zinc/19/70/13/1027197013.db2.gz LTIZUUAKNCOOAH-UHFFFAOYSA-N 2 1 330.501 3.733 20 0 EHADMP CC1(C)C[N@@H+](CC2(O)CCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453011161 1027222364 /nfs/dbraw/zinc/22/23/64/1027222364.db2.gz HIEAPKZJQMZBOQ-FQEVSTJZSA-N 2 1 342.527 3.524 20 0 EHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(-c2ccccc2)nn1C ZINC000453097566 1027319291 /nfs/dbraw/zinc/31/92/91/1027319291.db2.gz UMIUKBXCXOZHEP-KRWDZBQOSA-N 2 1 326.488 3.614 20 0 EHADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655717362 1027341647 /nfs/dbraw/zinc/34/16/47/1027341647.db2.gz CLFYMSNHIOVNOS-FQEVSTJZSA-N 2 1 330.516 3.587 20 0 EHADMP C[C@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2sccc21 ZINC000453107586 1027374484 /nfs/dbraw/zinc/37/44/84/1027374484.db2.gz LKUPADCFPIBBHO-YJBOKZPZSA-N 2 1 335.561 3.550 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000453138468 1027443796 /nfs/dbraw/zinc/44/37/96/1027443796.db2.gz JNJQEQUBYMKZSV-PWRODBHTSA-N 2 1 339.458 3.754 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000453138468 1027443805 /nfs/dbraw/zinc/44/38/05/1027443805.db2.gz JNJQEQUBYMKZSV-PWRODBHTSA-N 2 1 339.458 3.754 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311631 1027456674 /nfs/dbraw/zinc/45/66/74/1027456674.db2.gz NXZPBRBMBOQRMQ-OAHLLOKOSA-N 2 1 344.890 3.666 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1 ZINC000420318239 1027466789 /nfs/dbraw/zinc/46/67/89/1027466789.db2.gz NWIJRPZGBBQQQA-INIZCTEOSA-N 2 1 345.512 3.562 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000420322100 1027469517 /nfs/dbraw/zinc/46/95/17/1027469517.db2.gz RXEKEHTXBLHGLE-AZUAARDMSA-N 2 1 342.508 3.528 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331927 1027482426 /nfs/dbraw/zinc/48/24/26/1027482426.db2.gz CHAMPUPGIJEFAN-LSDHHAIUSA-N 2 1 331.485 3.533 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H](C)n3ccnc32)C[N@@H+]1Cc1ccccc1 ZINC000453180267 1027499235 /nfs/dbraw/zinc/49/92/35/1027499235.db2.gz VDEYUENKCMCWID-UMGGQSCQSA-N 2 1 338.499 3.779 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420378038 1027502416 /nfs/dbraw/zinc/50/24/16/1027502416.db2.gz BAGKYHRNVVZHNN-XLIONFOSSA-N 2 1 337.467 3.838 20 0 EHADMP [NH3+]C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000420379668 1027502547 /nfs/dbraw/zinc/50/25/47/1027502547.db2.gz XXMWRMCRBNGNPL-MRXNPFEDSA-N 2 1 330.394 3.581 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000501776413 1027527425 /nfs/dbraw/zinc/52/74/25/1027527425.db2.gz NZYKDMWXQFQXKU-GOSISDBHSA-N 2 1 348.531 3.827 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000469199965 1027651410 /nfs/dbraw/zinc/65/14/10/1027651410.db2.gz ZZEDEAAEHRCMEC-RYRKJORJSA-N 2 1 335.923 3.629 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656624 1027721286 /nfs/dbraw/zinc/72/12/86/1027721286.db2.gz IXJBCZOKRGPSLQ-VQIMIIECSA-N 2 1 340.515 3.647 20 0 EHADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414656624 1027721303 /nfs/dbraw/zinc/72/13/03/1027721303.db2.gz IXJBCZOKRGPSLQ-VQIMIIECSA-N 2 1 340.515 3.647 20 0 EHADMP Cc1cc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000282011718 1027772689 /nfs/dbraw/zinc/77/26/89/1027772689.db2.gz DODAXEXXYGGHOW-WMZOPIPTSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000282011718 1027772706 /nfs/dbraw/zinc/77/27/06/1027772706.db2.gz DODAXEXXYGGHOW-WMZOPIPTSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000282011718 1027772715 /nfs/dbraw/zinc/77/27/15/1027772715.db2.gz DODAXEXXYGGHOW-WMZOPIPTSA-N 2 1 340.515 3.811 20 0 EHADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727928 1027898697 /nfs/dbraw/zinc/89/86/97/1027898697.db2.gz DUJGASHXUDCBLC-MKXGPGLRSA-N 2 1 347.572 3.785 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070136 1027900946 /nfs/dbraw/zinc/90/09/46/1027900946.db2.gz WWBOCRMINATABS-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070136 1027900957 /nfs/dbraw/zinc/90/09/57/1027900957.db2.gz WWBOCRMINATABS-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070136 1027900965 /nfs/dbraw/zinc/90/09/65/1027900965.db2.gz WWBOCRMINATABS-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070136 1027900975 /nfs/dbraw/zinc/90/09/75/1027900975.db2.gz WWBOCRMINATABS-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070136 1027900980 /nfs/dbraw/zinc/90/09/80/1027900980.db2.gz WWBOCRMINATABS-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070136 1027900987 /nfs/dbraw/zinc/90/09/87/1027900987.db2.gz WWBOCRMINATABS-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070136 1027900992 /nfs/dbraw/zinc/90/09/92/1027900992.db2.gz WWBOCRMINATABS-COPCDDAFSA-N 2 1 341.543 3.777 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422774244 1027929153 /nfs/dbraw/zinc/92/91/53/1027929153.db2.gz WFZALNWNFHMZTG-UXHICEINSA-N 2 1 332.451 3.509 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422810867 1027960881 /nfs/dbraw/zinc/96/08/81/1027960881.db2.gz OCNLUVRZRIOHAH-RRFJBIMHSA-N 2 1 344.833 3.952 20 0 EHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422856210 1027989226 /nfs/dbraw/zinc/98/92/26/1027989226.db2.gz DXGGYBOYKBTOPT-FUHWJXTLSA-N 2 1 343.858 3.711 20 0 EHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422875774 1028009235 /nfs/dbraw/zinc/00/92/35/1028009235.db2.gz DFSZPMDVXBIWKY-LSDHHAIUSA-N 2 1 344.890 3.633 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459368659 1028017129 /nfs/dbraw/zinc/01/71/29/1028017129.db2.gz PTTQCYSDCMZVKF-MRXNPFEDSA-N 2 1 338.927 3.513 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422887368 1028023360 /nfs/dbraw/zinc/02/33/60/1028023360.db2.gz KSCNEUWQIQIARN-WIYYLYMNSA-N 2 1 348.494 3.537 20 0 EHADMP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nc2c1 ZINC000422898400 1028034010 /nfs/dbraw/zinc/03/40/10/1028034010.db2.gz FARYYNSHEBTLCU-HZSPNIEDSA-N 2 1 335.904 3.960 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000502288105 1028088319 /nfs/dbraw/zinc/08/83/19/1028088319.db2.gz PFJCIVHSJUZVSD-QZTJIDSGSA-N 2 1 348.531 3.653 20 0 EHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000423008826 1028121086 /nfs/dbraw/zinc/12/10/86/1028121086.db2.gz BDZOBEMPOASQOW-IYWMVGAKSA-N 2 1 341.886 3.820 20 0 EHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)OC(C)C ZINC000423048389 1028132506 /nfs/dbraw/zinc/13/25/06/1028132506.db2.gz HUCCGRHVHMMMDH-ZVDOUQERSA-N 2 1 340.467 3.896 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423026123 1028136948 /nfs/dbraw/zinc/13/69/48/1028136948.db2.gz ANMLKWCRGHWTJK-UNMCSNQZSA-N 2 1 346.478 3.764 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423064595 1028158023 /nfs/dbraw/zinc/15/80/23/1028158023.db2.gz RZEAHLDPMNMMJU-BHIFYINESA-N 2 1 335.495 3.631 20 0 EHADMP Cc1noc(C[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c2ccccc2)n1 ZINC000423071333 1028160795 /nfs/dbraw/zinc/16/07/95/1028160795.db2.gz FIOAZWMWPXFDPS-SNRMKQJTSA-N 2 1 342.487 3.562 20 0 EHADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423078281 1028166617 /nfs/dbraw/zinc/16/66/17/1028166617.db2.gz OBDOOEZFOIVZOJ-CIAFKFPVSA-N 2 1 336.479 3.847 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503858134 1028172088 /nfs/dbraw/zinc/17/20/88/1028172088.db2.gz QRPZZZOGMIGOLN-DZOHQFGASA-N 2 1 338.442 3.789 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503858134 1028172093 /nfs/dbraw/zinc/17/20/93/1028172093.db2.gz QRPZZZOGMIGOLN-DZOHQFGASA-N 2 1 338.442 3.789 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423093682 1028178869 /nfs/dbraw/zinc/17/88/69/1028178869.db2.gz IKJXRWPOYUSJCE-VSBTWAGUSA-N 2 1 341.268 3.564 20 0 EHADMP COCc1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423100940 1028181833 /nfs/dbraw/zinc/18/18/33/1028181833.db2.gz NCJRSOGWBMOBGF-CVEARBPZSA-N 2 1 345.512 3.564 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC(C)C)cc1OC ZINC000502400182 1028191671 /nfs/dbraw/zinc/19/16/71/1028191671.db2.gz IFBZTLXUUYURFL-PKOBYXMFSA-N 2 1 348.531 3.653 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000423131947 1028195061 /nfs/dbraw/zinc/19/50/61/1028195061.db2.gz UDKHILSZZLVPEN-DOPJRALCSA-N 2 1 326.440 3.808 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423183725 1028231112 /nfs/dbraw/zinc/23/11/12/1028231112.db2.gz GTNUVGFCKWDCDF-HXUWFJFHSA-N 2 1 339.483 3.682 20 0 EHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)CC1 ZINC000421322598 1028265870 /nfs/dbraw/zinc/26/58/70/1028265870.db2.gz DUNMEFRTAJKVNU-UHFFFAOYSA-N 2 1 349.522 3.601 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423261330 1028321116 /nfs/dbraw/zinc/32/11/16/1028321116.db2.gz JRWFXYMJCQDOPI-IIDMSEBBSA-N 2 1 334.504 3.693 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC([NH3+])(CC)CC)cc1 ZINC000423286877 1028325165 /nfs/dbraw/zinc/32/51/65/1028325165.db2.gz JEUTZEDYAJWTEY-OAHLLOKOSA-N 2 1 334.508 3.728 20 0 EHADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423317162 1028346305 /nfs/dbraw/zinc/34/63/05/1028346305.db2.gz CLKYXUGXHGEYHM-HZMBPMFUSA-N 2 1 341.318 3.703 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294553 1028353640 /nfs/dbraw/zinc/35/36/40/1028353640.db2.gz UVBGXPLAQBOZPX-NPPFBWRTSA-N 3 1 337.511 3.707 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423294553 1028353654 /nfs/dbraw/zinc/35/36/54/1028353654.db2.gz UVBGXPLAQBOZPX-NPPFBWRTSA-N 2 1 337.511 3.707 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc(C)n1 ZINC000421383605 1028354340 /nfs/dbraw/zinc/35/43/40/1028354340.db2.gz NNTZSDSYRGVQPB-LJQANCHMSA-N 2 1 337.511 3.884 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423336117 1028371225 /nfs/dbraw/zinc/37/12/25/1028371225.db2.gz JHHNFGRMANLMSL-SFTDATJTSA-N 2 1 342.458 3.903 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCS2 ZINC000423374598 1028379036 /nfs/dbraw/zinc/37/90/36/1028379036.db2.gz XFZGZJZLEZYODA-TZMCWYRMSA-N 2 1 341.318 3.718 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356553 1028384222 /nfs/dbraw/zinc/38/42/22/1028384222.db2.gz GTOAZBNQUWFCNG-WMLDXEAASA-N 2 1 329.513 3.835 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC[NH2+]1 ZINC000414744138 1028442049 /nfs/dbraw/zinc/44/20/49/1028442049.db2.gz HXEDIVIZXVXCPV-KFWWJZLASA-N 2 1 331.435 3.534 20 0 EHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423470956 1028457662 /nfs/dbraw/zinc/45/76/62/1028457662.db2.gz HCOJJHLONNJRGF-XPTSAGLGSA-N 2 1 335.225 3.815 20 0 EHADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423483783 1028472904 /nfs/dbraw/zinc/47/29/04/1028472904.db2.gz ZOOJOCMAGZVSLK-HHXXYDBFSA-N 2 1 327.447 3.573 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194044475 1028483869 /nfs/dbraw/zinc/48/38/69/1028483869.db2.gz KIMRBLFHPKFDMV-RZXSNQJFSA-N 2 1 340.511 3.759 20 0 EHADMP COCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583024232 1028576738 /nfs/dbraw/zinc/57/67/38/1028576738.db2.gz QBTYMEJQOJKCKB-FQEVSTJZSA-N 2 1 342.527 3.980 20 0 EHADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000583024232 1028576749 /nfs/dbraw/zinc/57/67/49/1028576749.db2.gz QBTYMEJQOJKCKB-FQEVSTJZSA-N 2 1 342.527 3.980 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)C ZINC000195136100 1028583773 /nfs/dbraw/zinc/58/37/73/1028583773.db2.gz MKRAVDUAGXPTEF-PXNSSMCTSA-N 2 1 340.515 3.945 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)[C@@H](C)C1 ZINC000247090506 1028741187 /nfs/dbraw/zinc/74/11/87/1028741187.db2.gz DSPULAOAJKTVQI-JFRXWTBNSA-N 2 1 334.504 3.630 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247074128 1028742783 /nfs/dbraw/zinc/74/27/83/1028742783.db2.gz OLEWJPUFDMYDJX-AEFFLSMTSA-N 2 1 326.488 3.563 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247074128 1028742798 /nfs/dbraw/zinc/74/27/98/1028742798.db2.gz OLEWJPUFDMYDJX-AEFFLSMTSA-N 3 1 326.488 3.563 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247074128 1028742817 /nfs/dbraw/zinc/74/28/17/1028742817.db2.gz OLEWJPUFDMYDJX-AEFFLSMTSA-N 3 1 326.488 3.563 20 0 EHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771623 1028765706 /nfs/dbraw/zinc/76/57/06/1028765706.db2.gz ABOWKGVHJMQKFN-HOTGVXAUSA-N 2 1 345.487 3.771 20 0 EHADMP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771669 1028765775 /nfs/dbraw/zinc/76/57/75/1028765775.db2.gz AFKRSTSLVKACBI-STQMWFEESA-N 2 1 344.833 3.763 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414773513 1028791617 /nfs/dbraw/zinc/79/16/17/1028791617.db2.gz DLXVAVGAERFKGX-RBUKOAKNSA-N 2 1 346.515 3.696 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1n1ccnc1 ZINC000247671951 1028809135 /nfs/dbraw/zinc/80/91/35/1028809135.db2.gz QYKIXYOKKSFWEN-WMLDXEAASA-N 2 1 340.402 3.760 20 0 EHADMP C[C@H]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1n1ccnc1 ZINC000247671951 1028809149 /nfs/dbraw/zinc/80/91/49/1028809149.db2.gz QYKIXYOKKSFWEN-WMLDXEAASA-N 2 1 340.402 3.760 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857569 1028848935 /nfs/dbraw/zinc/84/89/35/1028848935.db2.gz QBAPEPCULMQLLR-DOTOQJQBSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421857569 1028848955 /nfs/dbraw/zinc/84/89/55/1028848955.db2.gz QBAPEPCULMQLLR-DOTOQJQBSA-N 2 1 329.875 3.908 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414776794 1028861545 /nfs/dbraw/zinc/86/15/45/1028861545.db2.gz HTFBAULNWHMLSC-RBUKOAKNSA-N 2 1 346.515 3.696 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1F ZINC000248402025 1028895212 /nfs/dbraw/zinc/89/52/12/1028895212.db2.gz UDDKVYSMTQXNDI-WMLDXEAASA-N 2 1 342.886 3.757 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccccc3F)n1)CC[NH2+]CC2 ZINC000424295997 1028938652 /nfs/dbraw/zinc/93/86/52/1028938652.db2.gz RVOBUUQXTFCYBW-CQSZACIVSA-N 2 1 345.487 3.913 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299846 1028940693 /nfs/dbraw/zinc/94/06/93/1028940693.db2.gz VZBAKSYGHQIECH-CYBMUJFWSA-N 2 1 331.485 3.676 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCOC2CCCC2)C3)cc1 ZINC000248996179 1028974563 /nfs/dbraw/zinc/97/45/63/1028974563.db2.gz OYAGHEYKRGCXGM-ACDBMABISA-N 2 1 328.500 3.731 20 0 EHADMP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789262 1029079375 /nfs/dbraw/zinc/07/93/75/1029079375.db2.gz YGINFCOEFAVIBG-IAGOWNOFSA-N 2 1 347.934 3.762 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414791304 1029087166 /nfs/dbraw/zinc/08/71/66/1029087166.db2.gz HOFXMUINNGLIFP-LBPRGKRZSA-N 2 1 339.199 3.541 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000271712483 1029133092 /nfs/dbraw/zinc/13/30/92/1029133092.db2.gz MUEZDSIJBURUSQ-APWZRJJASA-N 2 1 328.456 3.569 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414808131 1029270164 /nfs/dbraw/zinc/27/01/64/1029270164.db2.gz KHBJJMIBFOPLQJ-UHFFFAOYSA-N 2 1 348.922 3.809 20 0 EHADMP CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245782822 1029291999 /nfs/dbraw/zinc/29/19/99/1029291999.db2.gz ZEYPIJUCNQHBGX-YSTOQKLRSA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000272068727 1029297482 /nfs/dbraw/zinc/29/74/82/1029297482.db2.gz UXNKZFDLFLUUFK-VXKWHMMOSA-N 2 1 344.543 3.877 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000162717939 1029326584 /nfs/dbraw/zinc/32/65/84/1029326584.db2.gz GRYSJHVKSFOPRG-BEFAXECRSA-N 2 1 343.446 3.833 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000162717939 1029326602 /nfs/dbraw/zinc/32/66/02/1029326602.db2.gz GRYSJHVKSFOPRG-BEFAXECRSA-N 2 1 343.446 3.833 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000162749962 1029382693 /nfs/dbraw/zinc/38/26/93/1029382693.db2.gz WLDROIHVTSEMKV-OSPHWJPCSA-N 2 1 344.524 3.597 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000272279721 1029395947 /nfs/dbraw/zinc/39/59/47/1029395947.db2.gz CRLTZWQWIKAZMT-NPPFBWRTSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000897536407 1029422393 /nfs/dbraw/zinc/42/23/93/1029422393.db2.gz LBBMUDPMSAFCKT-PMXSJFBMSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000897536407 1029422409 /nfs/dbraw/zinc/42/24/09/1029422409.db2.gz LBBMUDPMSAFCKT-PMXSJFBMSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000897537259 1029425551 /nfs/dbraw/zinc/42/55/51/1029425551.db2.gz QTJHOYHGEQFYEJ-QSFXBCCZSA-N 2 1 327.472 3.773 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538804 1029502684 /nfs/dbraw/zinc/50/26/84/1029502684.db2.gz CFNOGGWZVDIJPT-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272538804 1029502690 /nfs/dbraw/zinc/50/26/90/1029502690.db2.gz CFNOGGWZVDIJPT-FPOVZHCZSA-N 3 1 343.559 3.751 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272538804 1029502696 /nfs/dbraw/zinc/50/26/96/1029502696.db2.gz CFNOGGWZVDIJPT-FPOVZHCZSA-N 3 1 343.559 3.751 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c(C(C)(C)C)n2)cc1 ZINC000414837840 1029519601 /nfs/dbraw/zinc/51/96/01/1029519601.db2.gz VZIFNYCGDLUKNI-QGZVFWFLSA-N 2 1 340.515 3.567 20 0 EHADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262169167 1029570296 /nfs/dbraw/zinc/57/02/96/1029570296.db2.gz WQCHIXBVUBCJAE-NRFANRHFSA-N 2 1 345.531 3.585 20 0 EHADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262245635 1029575998 /nfs/dbraw/zinc/57/59/98/1029575998.db2.gz PPNVPFKZQOANNN-AWEZNQCLSA-N 2 1 344.421 3.714 20 0 EHADMP c1csc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000657750742 1029630058 /nfs/dbraw/zinc/63/00/58/1029630058.db2.gz CDLYLCLGLQAZOF-IBGZPJMESA-N 2 1 342.508 3.758 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000126359217 1029710018 /nfs/dbraw/zinc/71/00/18/1029710018.db2.gz NITXQQHJGNFTCU-IUODEOHRSA-N 2 1 343.284 3.593 20 0 EHADMP CC(C)C1CCC([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000525180356 1029729822 /nfs/dbraw/zinc/72/98/22/1029729822.db2.gz XXAWAWBPMILWKF-CTWPCTMYSA-N 2 1 349.588 3.841 20 0 EHADMP C[C@H](CN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000508695810 1029741642 /nfs/dbraw/zinc/74/16/42/1029741642.db2.gz IYVHCXKLEAYYFS-NXLVEIQXSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508695810 1029741647 /nfs/dbraw/zinc/74/16/47/1029741647.db2.gz IYVHCXKLEAYYFS-NXLVEIQXSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508695810 1029741653 /nfs/dbraw/zinc/74/16/53/1029741653.db2.gz IYVHCXKLEAYYFS-NXLVEIQXSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714087 1029775472 /nfs/dbraw/zinc/77/54/72/1029775472.db2.gz GWVBVGSOSXBNOY-PMJAUZGISA-N 3 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508714087 1029775478 /nfs/dbraw/zinc/77/54/78/1029775478.db2.gz GWVBVGSOSXBNOY-PMJAUZGISA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720409 1029793614 /nfs/dbraw/zinc/79/36/14/1029793614.db2.gz RNSUNDBANRLIRJ-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)N1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508720409 1029793624 /nfs/dbraw/zinc/79/36/24/1029793624.db2.gz RNSUNDBANRLIRJ-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)N1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720409 1029793632 /nfs/dbraw/zinc/79/36/32/1029793632.db2.gz RNSUNDBANRLIRJ-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP c1c[nH]c([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc2)n1 ZINC000126890333 1029797299 /nfs/dbraw/zinc/79/72/99/1029797299.db2.gz ZTCMWLQBARLBDA-IBGZPJMESA-N 2 1 326.488 3.745 20 0 EHADMP C[C@@H](NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720005 1029816606 /nfs/dbraw/zinc/81/66/06/1029816606.db2.gz QXNWZHHSMWIGRJ-TZIWHRDSSA-N 2 1 343.559 3.751 20 0 EHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000635005210 1029942111 /nfs/dbraw/zinc/94/21/11/1029942111.db2.gz SMKVICWDMUEJQN-MKXGPGLRSA-N 2 1 330.378 3.529 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707578 1030002777 /nfs/dbraw/zinc/00/27/77/1030002777.db2.gz IWKIAUPPDZNAMP-RTXFEEFZSA-N 2 1 349.327 3.773 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(Cl)c3Cl)C2)C1 ZINC000650707578 1030002794 /nfs/dbraw/zinc/00/27/94/1030002794.db2.gz IWKIAUPPDZNAMP-RTXFEEFZSA-N 2 1 349.327 3.773 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)ccn1 ZINC000453285640 1030029108 /nfs/dbraw/zinc/02/91/08/1030029108.db2.gz JXKPBELFCHCDKJ-BDTNDASRSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000120636310 1030053743 /nfs/dbraw/zinc/05/37/43/1030053743.db2.gz YCUJZMPORSGYPN-OCCSQVGLSA-N 2 1 331.287 3.835 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC[N@H+]1C ZINC000531940194 1030106076 /nfs/dbraw/zinc/10/60/76/1030106076.db2.gz TXGHJLJYIOULNH-APWZRJJASA-N 2 1 328.456 3.569 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000453350336 1030140626 /nfs/dbraw/zinc/14/06/26/1030140626.db2.gz GVUXQGCBGYLIBK-HMXCVIKNSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000453350336 1030140640 /nfs/dbraw/zinc/14/06/40/1030140640.db2.gz GVUXQGCBGYLIBK-HMXCVIKNSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350336 1030140652 /nfs/dbraw/zinc/14/06/52/1030140652.db2.gz GVUXQGCBGYLIBK-HMXCVIKNSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC000453350336 1030140664 /nfs/dbraw/zinc/14/06/64/1030140664.db2.gz GVUXQGCBGYLIBK-HMXCVIKNSA-N 2 1 328.500 3.542 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)cc1 ZINC000090654625 1030155096 /nfs/dbraw/zinc/15/50/96/1030155096.db2.gz QYLBZYIHKJBJCL-HYFFOGBASA-N 2 1 349.478 3.823 20 0 EHADMP COc1cc(Cl)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Cl ZINC000650718114 1030157084 /nfs/dbraw/zinc/15/70/84/1030157084.db2.gz YMSBWFBQGAJRJW-UHFFFAOYSA-N 2 1 343.229 3.890 20 0 EHADMP Fc1cccc(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1F ZINC000453362283 1030175061 /nfs/dbraw/zinc/17/50/61/1030175061.db2.gz NTMALFDZHNPFOW-ROUUACIJSA-N 2 1 334.454 3.846 20 0 EHADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772011 1030191525 /nfs/dbraw/zinc/19/15/25/1030191525.db2.gz IOKMDEUOWKHKHU-QUCCMNQESA-N 2 1 330.516 3.692 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964164 1030201067 /nfs/dbraw/zinc/20/10/67/1030201067.db2.gz RVDWYTOKWJNPOP-TYCQWZJGSA-N 2 1 348.506 3.930 20 0 EHADMP COC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1F ZINC000453402906 1030211597 /nfs/dbraw/zinc/21/15/97/1030211597.db2.gz OBQHWIMLDHFTAX-INIZCTEOSA-N 2 1 328.859 3.631 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)C1CC1 ZINC000453405848 1030213424 /nfs/dbraw/zinc/21/34/24/1030213424.db2.gz QOIIHMBBABWPHA-FQEVSTJZSA-N 2 1 338.499 3.714 20 0 EHADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)c1 ZINC000121286170 1030238885 /nfs/dbraw/zinc/23/88/85/1030238885.db2.gz JGFJWHABVDIZEZ-NQIIRXRSSA-N 2 1 330.516 3.726 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000531993931 1030242545 /nfs/dbraw/zinc/24/25/45/1030242545.db2.gz QAPNIHWCSMOYQP-DZFGPLHGSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000531993931 1030242560 /nfs/dbraw/zinc/24/25/60/1030242560.db2.gz QAPNIHWCSMOYQP-DZFGPLHGSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)o1 ZINC000447582340 1030316597 /nfs/dbraw/zinc/31/65/97/1030316597.db2.gz YZPBQYQMPNTGPV-OWZKRDHZSA-N 2 1 339.483 3.619 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447589491 1030326823 /nfs/dbraw/zinc/32/68/23/1030326823.db2.gz XWOXHPSFBDSHQF-USYVTKNRSA-N 2 1 328.500 3.585 20 0 EHADMP Cc1cc(Br)c(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000453567677 1030331130 /nfs/dbraw/zinc/33/11/30/1030331130.db2.gz WHDUNLLDJXGPAV-UHFFFAOYSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1cc(C)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC000482365040 1030354684 /nfs/dbraw/zinc/35/46/84/1030354684.db2.gz KXYQVNQQLKRLQQ-IBGZPJMESA-N 2 1 331.548 3.536 20 0 EHADMP Cc1cc(Br)c(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000453584697 1030375724 /nfs/dbraw/zinc/37/57/24/1030375724.db2.gz HLHHPYHINLJQTL-UHFFFAOYSA-N 2 1 328.279 3.504 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(C4CCC4)CCC3)sc2C1 ZINC000453591286 1030384114 /nfs/dbraw/zinc/38/41/14/1030384114.db2.gz ZQQCOFIMZCGBQC-UHFFFAOYSA-N 2 1 333.545 3.970 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(C4CCC4)CCC3)sc2C1 ZINC000453591286 1030384140 /nfs/dbraw/zinc/38/41/40/1030384140.db2.gz ZQQCOFIMZCGBQC-UHFFFAOYSA-N 2 1 333.545 3.970 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000532193255 1030468565 /nfs/dbraw/zinc/46/85/65/1030468565.db2.gz ZGFILASENDKSOD-HKUYNNGSSA-N 2 1 348.531 3.940 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000532193255 1030468568 /nfs/dbraw/zinc/46/85/68/1030468568.db2.gz ZGFILASENDKSOD-HKUYNNGSSA-N 2 1 348.531 3.940 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532211814 1030481252 /nfs/dbraw/zinc/48/12/52/1030481252.db2.gz KIIQNVFURJZOGG-OXJNMPFZSA-N 2 1 343.515 3.635 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532211814 1030481266 /nfs/dbraw/zinc/48/12/66/1030481266.db2.gz KIIQNVFURJZOGG-OXJNMPFZSA-N 2 1 343.515 3.635 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482507850 1030487347 /nfs/dbraw/zinc/48/73/47/1030487347.db2.gz RIXRHFOJQHDXBQ-DENIHFKCSA-N 3 1 343.559 3.609 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000482507850 1030487351 /nfs/dbraw/zinc/48/73/51/1030487351.db2.gz RIXRHFOJQHDXBQ-DENIHFKCSA-N 2 1 343.559 3.609 20 0 EHADMP C[N@H+]1CCN(CCC[NH2+]C2CCCCCC2)[C@@H](c2ccccc2)C1 ZINC000550843452 1030501045 /nfs/dbraw/zinc/50/10/45/1030501045.db2.gz RYGXBNADWILFMX-OAQYLSRUSA-N 2 1 329.532 3.678 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)C[C@@H]1c1ccccc1 ZINC000568003637 1030524583 /nfs/dbraw/zinc/52/45/83/1030524583.db2.gz PAIIWHPWUHGDMA-WOJBJXKFSA-N 2 1 330.516 3.744 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)C[C@@H]1c1ccccc1 ZINC000568003637 1030524595 /nfs/dbraw/zinc/52/45/95/1030524595.db2.gz PAIIWHPWUHGDMA-WOJBJXKFSA-N 2 1 330.516 3.744 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)C[C@@H]1c1ccccc1 ZINC000568003636 1030525662 /nfs/dbraw/zinc/52/56/62/1030525662.db2.gz PAIIWHPWUHGDMA-VQTJNVASSA-N 2 1 330.516 3.744 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)C[C@@H]1c1ccccc1 ZINC000568003636 1030525675 /nfs/dbraw/zinc/52/56/75/1030525675.db2.gz PAIIWHPWUHGDMA-VQTJNVASSA-N 2 1 330.516 3.744 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)C)cc1 ZINC000482564821 1030538992 /nfs/dbraw/zinc/53/89/92/1030538992.db2.gz WRJFEBNTCXPHSL-OAQYLSRUSA-N 2 1 344.543 3.797 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122474013 1030649330 /nfs/dbraw/zinc/64/93/30/1030649330.db2.gz GURPNLAGQOGNKU-HXUWFJFHSA-N 2 1 339.483 3.964 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1OC(F)F ZINC000650753544 1030703748 /nfs/dbraw/zinc/70/37/48/1030703748.db2.gz PPUHVMNNELXPBL-JTQLQIEISA-N 2 1 342.336 3.876 20 0 EHADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000648438475 1030926064 /nfs/dbraw/zinc/92/60/64/1030926064.db2.gz PFPUXVNXDZSIHQ-KBWCOIMZSA-N 2 1 330.516 3.693 20 0 EHADMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000131213268 1030986523 /nfs/dbraw/zinc/98/65/23/1030986523.db2.gz LBDGWVVMKYXYPW-MRXNPFEDSA-N 2 1 334.504 3.613 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000483155542 1031007469 /nfs/dbraw/zinc/00/74/69/1031007469.db2.gz WOZNYBYFXYYMIS-LPHOPBHVSA-N 2 1 344.499 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000483155542 1031007490 /nfs/dbraw/zinc/00/74/90/1031007490.db2.gz WOZNYBYFXYYMIS-LPHOPBHVSA-N 2 1 344.499 3.968 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000483155543 1031007751 /nfs/dbraw/zinc/00/77/51/1031007751.db2.gz WOZNYBYFXYYMIS-QFBILLFUSA-N 2 1 344.499 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000483155543 1031007770 /nfs/dbraw/zinc/00/77/70/1031007770.db2.gz WOZNYBYFXYYMIS-QFBILLFUSA-N 2 1 344.499 3.968 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000551067806 1031015410 /nfs/dbraw/zinc/01/54/10/1031015410.db2.gz PMBIOZBQTHVLQR-UNMCSNQZSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000551067806 1031015432 /nfs/dbraw/zinc/01/54/32/1031015432.db2.gz PMBIOZBQTHVLQR-UNMCSNQZSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000551067806 1031015444 /nfs/dbraw/zinc/01/54/44/1031015444.db2.gz PMBIOZBQTHVLQR-UNMCSNQZSA-N 2 1 343.559 3.846 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173385988 1031086554 /nfs/dbraw/zinc/08/65/54/1031086554.db2.gz JOOXEVDTAJILSS-STQMWFEESA-N 2 1 336.277 3.941 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116397105 1031111999 /nfs/dbraw/zinc/11/19/99/1031111999.db2.gz MGUBNUAQHDYMPL-QZTJIDSGSA-N 2 1 347.547 3.895 20 0 EHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000116397099 1031112576 /nfs/dbraw/zinc/11/25/76/1031112576.db2.gz MGUBNUAQHDYMPL-MSOLQXFVSA-N 2 1 347.547 3.895 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000343498647 1031144271 /nfs/dbraw/zinc/14/42/71/1031144271.db2.gz SOKXGHDTPLMURD-ZCNNSNEGSA-N 2 1 345.531 3.507 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000343498647 1031144277 /nfs/dbraw/zinc/14/42/77/1031144277.db2.gz SOKXGHDTPLMURD-ZCNNSNEGSA-N 2 1 345.531 3.507 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527725436 1031153362 /nfs/dbraw/zinc/15/33/62/1031153362.db2.gz UCPDWCQPOAIHRX-UXHICEINSA-N 2 1 330.516 3.539 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483484066 1031192140 /nfs/dbraw/zinc/19/21/40/1031192140.db2.gz WQSSCIFDYASQDO-FRFSOERESA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483484066 1031192153 /nfs/dbraw/zinc/19/21/53/1031192153.db2.gz WQSSCIFDYASQDO-FRFSOERESA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483484066 1031192166 /nfs/dbraw/zinc/19/21/66/1031192166.db2.gz WQSSCIFDYASQDO-FRFSOERESA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483484066 1031192181 /nfs/dbraw/zinc/19/21/81/1031192181.db2.gz WQSSCIFDYASQDO-FRFSOERESA-N 2 1 337.305 3.926 20 0 EHADMP CC[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)OCCc2ccccc21 ZINC000903171456 1031265445 /nfs/dbraw/zinc/26/54/45/1031265445.db2.gz GCXRGBSXFZERPI-UXGKSEPASA-N 2 1 340.511 3.612 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000483727730 1031314786 /nfs/dbraw/zinc/31/47/86/1031314786.db2.gz LFKQAUHQTIJTRH-UGKGYDQZSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000483727730 1031314803 /nfs/dbraw/zinc/31/48/03/1031314803.db2.gz LFKQAUHQTIJTRH-UGKGYDQZSA-N 3 1 343.559 3.609 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000484095152 1031452142 /nfs/dbraw/zinc/45/21/42/1031452142.db2.gz HNGNGLANLSTMOY-GUYCJALGSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000484095152 1031452157 /nfs/dbraw/zinc/45/21/57/1031452157.db2.gz HNGNGLANLSTMOY-GUYCJALGSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000484095152 1031452169 /nfs/dbraw/zinc/45/21/69/1031452169.db2.gz HNGNGLANLSTMOY-GUYCJALGSA-N 2 1 328.859 3.520 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177295463 1031552668 /nfs/dbraw/zinc/55/26/68/1031552668.db2.gz MJESUCZKTINVEW-CHWSQXEVSA-N 2 1 336.277 3.941 20 0 EHADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000528007654 1031578680 /nfs/dbraw/zinc/57/86/80/1031578680.db2.gz RFVIBIZXOAKBDS-HEKQOMFDSA-N 2 1 330.516 3.831 20 0 EHADMP [NH3+]C[C@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000584053096 1031595312 /nfs/dbraw/zinc/59/53/12/1031595312.db2.gz WQOQYJSVLDJPKW-AEZRFQNJSA-N 2 1 336.479 3.950 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000343609019 1031624876 /nfs/dbraw/zinc/62/48/76/1031624876.db2.gz VZKXTSRPUJZVBG-UHFFFAOYSA-N 2 1 332.879 3.648 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000343609019 1031624889 /nfs/dbraw/zinc/62/48/89/1031624889.db2.gz VZKXTSRPUJZVBG-UHFFFAOYSA-N 2 1 332.879 3.648 20 0 EHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000178241285 1031647360 /nfs/dbraw/zinc/64/73/60/1031647360.db2.gz KRZBNRJHTZQUFV-OXJNMPFZSA-N 2 1 337.467 3.700 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000181927468 1032046561 /nfs/dbraw/zinc/04/65/61/1032046561.db2.gz XVEPRVMNOVDWMA-MRXNPFEDSA-N 2 1 331.504 3.950 20 0 EHADMP CCc1ccc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)cn1 ZINC000685421037 1033302138 /nfs/dbraw/zinc/30/21/38/1033302138.db2.gz KIZPKBGORUSFSX-UHFFFAOYSA-N 2 1 329.532 3.978 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000168245319 1033443184 /nfs/dbraw/zinc/44/31/84/1033443184.db2.gz NKZAZZJSZKSCOG-NSHDSACASA-N 2 1 331.685 3.663 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000168245319 1033443198 /nfs/dbraw/zinc/44/31/98/1033443198.db2.gz NKZAZZJSZKSCOG-NSHDSACASA-N 2 1 331.685 3.663 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576791 1033448278 /nfs/dbraw/zinc/44/82/78/1033448278.db2.gz VNUQZPKLXOAXHG-YJBOKZPZSA-N 2 1 330.422 3.823 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576791 1033448286 /nfs/dbraw/zinc/44/82/86/1033448286.db2.gz VNUQZPKLXOAXHG-YJBOKZPZSA-N 2 1 330.422 3.823 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000608061226 1033454069 /nfs/dbraw/zinc/45/40/69/1033454069.db2.gz HYLKUQPFMKLFGQ-VQIMIIECSA-N 2 1 342.458 3.977 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339065499 1033504395 /nfs/dbraw/zinc/50/43/95/1033504395.db2.gz FSGOVYWGQGBFRN-ROUUACIJSA-N 2 1 332.488 3.591 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339065499 1033504402 /nfs/dbraw/zinc/50/44/02/1033504402.db2.gz FSGOVYWGQGBFRN-ROUUACIJSA-N 2 1 332.488 3.591 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598959176 1033594399 /nfs/dbraw/zinc/59/43/99/1033594399.db2.gz GBDOEWHGWPQVJY-CQSZACIVSA-N 2 1 338.517 3.525 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598959176 1033594406 /nfs/dbraw/zinc/59/44/06/1033594406.db2.gz GBDOEWHGWPQVJY-CQSZACIVSA-N 2 1 338.517 3.525 20 0 EHADMP CCC[NH+]1CCC(Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000131763678 1033661904 /nfs/dbraw/zinc/66/19/04/1033661904.db2.gz ISUIRHHWCLJCTD-HDICACEKSA-N 2 1 345.531 3.582 20 0 EHADMP COC1([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000657930654 1033673440 /nfs/dbraw/zinc/67/34/40/1033673440.db2.gz CQFBKJOIZJVINE-HBFSDRIKSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550612577 1033719295 /nfs/dbraw/zinc/71/92/95/1033719295.db2.gz NZKNMLUMRCIRGU-RTWAWAEBSA-N 2 1 329.532 3.532 20 0 EHADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550612357 1033730258 /nfs/dbraw/zinc/73/02/58/1033730258.db2.gz NDPQMKADISXMGQ-RJGXRXQPSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550612357 1033730270 /nfs/dbraw/zinc/73/02/70/1033730270.db2.gz NDPQMKADISXMGQ-RJGXRXQPSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550612357 1033730279 /nfs/dbraw/zinc/73/02/79/1033730279.db2.gz NDPQMKADISXMGQ-RJGXRXQPSA-N 2 1 349.522 3.686 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000658061608 1033876056 /nfs/dbraw/zinc/87/60/56/1033876056.db2.gz UMTPCEJHIHJJSX-CDQBWFRLSA-N 2 1 342.527 3.834 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000658178119 1034043965 /nfs/dbraw/zinc/04/39/65/1034043965.db2.gz ZNZPTGUXJUPNAT-TZIWHRDSSA-N 2 1 332.532 3.573 20 0 EHADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000534058798 1034083959 /nfs/dbraw/zinc/08/39/59/1034083959.db2.gz FRMDITYUSUKVAA-CQSZACIVSA-N 2 1 331.685 3.631 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000658269623 1034148458 /nfs/dbraw/zinc/14/84/58/1034148458.db2.gz WYLNNQTXXXUIJV-OXQOHEQNSA-N 2 1 344.547 3.820 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542819 1034148882 /nfs/dbraw/zinc/14/88/82/1034148882.db2.gz LEVIZTOHMZJANB-WMZOPIPTSA-N 2 1 327.447 3.611 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168328559 1034187579 /nfs/dbraw/zinc/18/75/79/1034187579.db2.gz JQQOAWZIIPGDDJ-XEVCZEQESA-N 2 1 330.516 3.823 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(C)C ZINC000658320019 1034194488 /nfs/dbraw/zinc/19/44/88/1034194488.db2.gz MCQRDSVFTUJMLW-PMACEKPBSA-N 2 1 330.516 3.549 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421823207 1034244387 /nfs/dbraw/zinc/24/43/87/1034244387.db2.gz YVMWODMKFPCCDA-NRFANRHFSA-N 2 1 349.522 3.626 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(C/C(C)=C/c2ccccc2COC)C1 ZINC000508827746 1034258455 /nfs/dbraw/zinc/25/84/55/1034258455.db2.gz LWIWKEZTULGBPC-HJDVLLJCSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827746 1034258469 /nfs/dbraw/zinc/25/84/69/1034258469.db2.gz LWIWKEZTULGBPC-HJDVLLJCSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827746 1034258488 /nfs/dbraw/zinc/25/84/88/1034258488.db2.gz LWIWKEZTULGBPC-HJDVLLJCSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827746 1034258498 /nfs/dbraw/zinc/25/84/98/1034258498.db2.gz LWIWKEZTULGBPC-HJDVLLJCSA-N 2 1 330.516 3.900 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508827746 1034258512 /nfs/dbraw/zinc/25/85/12/1034258512.db2.gz LWIWKEZTULGBPC-HJDVLLJCSA-N 2 1 330.516 3.900 20 0 EHADMP CSCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000596648679 1034345582 /nfs/dbraw/zinc/34/55/82/1034345582.db2.gz CZWKQGZSALSENA-UNLQRWGISA-N 2 1 336.520 3.783 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000534298947 1034357550 /nfs/dbraw/zinc/35/75/50/1034357550.db2.gz LTJVLVWIVXQNIX-HNNXBMFYSA-N 2 1 326.469 3.681 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000534298947 1034357562 /nfs/dbraw/zinc/35/75/62/1034357562.db2.gz LTJVLVWIVXQNIX-HNNXBMFYSA-N 2 1 326.469 3.681 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000340168589 1034366103 /nfs/dbraw/zinc/36/61/03/1034366103.db2.gz SLSTWNVGJACMOY-MOPGFXCFSA-N 2 1 340.467 3.629 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000340168589 1034366112 /nfs/dbraw/zinc/36/61/12/1034366112.db2.gz SLSTWNVGJACMOY-MOPGFXCFSA-N 2 1 340.467 3.629 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340380345 1034495684 /nfs/dbraw/zinc/49/56/84/1034495684.db2.gz MCXDXQSYFFXGQS-SLFFLAALSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C[C@H]1c1ccccc1 ZINC000340380345 1034495699 /nfs/dbraw/zinc/49/56/99/1034495699.db2.gz MCXDXQSYFFXGQS-SLFFLAALSA-N 2 1 328.500 3.761 20 0 EHADMP C[C@@H](NCc1ccccc1OC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725173 1034717122 /nfs/dbraw/zinc/71/71/22/1034717122.db2.gz HXGJKRWZWYFVFM-SJLPKXTDSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450725173 1034717128 /nfs/dbraw/zinc/71/71/28/1034717128.db2.gz HXGJKRWZWYFVFM-SJLPKXTDSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725173 1034717144 /nfs/dbraw/zinc/71/71/44/1034717144.db2.gz HXGJKRWZWYFVFM-SJLPKXTDSA-N 2 1 328.500 3.970 20 0 EHADMP CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](CC)CC ZINC000605425226 1034724483 /nfs/dbraw/zinc/72/44/83/1034724483.db2.gz CWFZACYVUIBWIX-FXAWDEMLSA-N 2 1 345.531 3.977 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375861957 1034756143 /nfs/dbraw/zinc/75/61/43/1034756143.db2.gz PWPROIOBFVWUCI-LMYCIYFBSA-N 2 1 342.527 3.925 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925142 1034949879 /nfs/dbraw/zinc/94/98/79/1034949879.db2.gz HQJCOVVJUFOVAB-UYAOXDASSA-N 2 1 344.547 3.662 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925142 1034949894 /nfs/dbraw/zinc/94/98/94/1034949894.db2.gz HQJCOVVJUFOVAB-UYAOXDASSA-N 2 1 344.547 3.662 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450994778 1035006774 /nfs/dbraw/zinc/00/67/74/1035006774.db2.gz DDUQXCJXGCZYIS-UHFFFAOYSA-N 2 1 346.906 3.837 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450994778 1035006785 /nfs/dbraw/zinc/00/67/85/1035006785.db2.gz DDUQXCJXGCZYIS-UHFFFAOYSA-N 2 1 346.906 3.837 20 0 EHADMP CCC[N@@H+](Cc1ccc(OC)c(O[C@@H](C)CC)c1)C1CC[NH2+]CC1 ZINC000647484509 1035042511 /nfs/dbraw/zinc/04/25/11/1035042511.db2.gz UUDUYEOWTGSWJV-INIZCTEOSA-N 2 1 334.504 3.837 20 0 EHADMP C[C@@H]1C[NH+](CCCCCCCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000177703411 1035339415 /nfs/dbraw/zinc/33/94/15/1035339415.db2.gz QILYDHPPDQFLEG-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP C[C@@H]1C[N@H+](CCCCCCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000177703411 1035339424 /nfs/dbraw/zinc/33/94/24/1035339424.db2.gz QILYDHPPDQFLEG-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP C[C@@H]1C[N@@H+](CCCCCCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000177703411 1035339435 /nfs/dbraw/zinc/33/94/35/1035339435.db2.gz QILYDHPPDQFLEG-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414113200 1035574399 /nfs/dbraw/zinc/57/43/99/1035574399.db2.gz KKYFFNGPWHPNLK-WMZOPIPTSA-N 2 1 336.907 3.677 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000282278409 1035594327 /nfs/dbraw/zinc/59/43/27/1035594327.db2.gz RONUYJNMFLYJBQ-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000282278409 1035594341 /nfs/dbraw/zinc/59/43/41/1035594341.db2.gz RONUYJNMFLYJBQ-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282287447 1035604961 /nfs/dbraw/zinc/60/49/61/1035604961.db2.gz RXZJAMIVBDUOIW-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP CO[C@@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376285445 1035846451 /nfs/dbraw/zinc/84/64/51/1035846451.db2.gz MQWKYHCVPCEKPM-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CO[C@@H]1CCC[N@@H+](CCCCCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000376285445 1035846463 /nfs/dbraw/zinc/84/64/63/1035846463.db2.gz MQWKYHCVPCEKPM-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CO[C@@H]1CCC[N@H+](CCCCCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000376285445 1035846477 /nfs/dbraw/zinc/84/64/77/1035846477.db2.gz MQWKYHCVPCEKPM-BGYRXZFFSA-N 2 1 340.552 3.549 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCCC1 ZINC000540988887 1035883603 /nfs/dbraw/zinc/88/36/03/1035883603.db2.gz KEENERYBXPYWRH-NHCUHLMSSA-N 2 1 330.516 3.702 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687508 1035972778 /nfs/dbraw/zinc/97/27/78/1035972778.db2.gz LCPPXJIEHNKGER-WIYYLYMNSA-N 2 1 348.490 3.983 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687508 1035972797 /nfs/dbraw/zinc/97/27/97/1035972797.db2.gz LCPPXJIEHNKGER-WIYYLYMNSA-N 2 1 348.490 3.983 20 0 EHADMP COC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000414197835 1036023821 /nfs/dbraw/zinc/02/38/21/1036023821.db2.gz ZENADIVXVKIROP-UMYVSVPQSA-N 2 1 328.500 3.729 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)CC1 ZINC000572205447 1036042163 /nfs/dbraw/zinc/04/21/63/1036042163.db2.gz JPMXIBZXUBOOEC-JOCHJYFZSA-N 2 1 335.495 3.912 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414225161 1036163593 /nfs/dbraw/zinc/16/35/93/1036163593.db2.gz BADMSCWRICCNMD-FKPGQJDZSA-N 2 1 330.516 3.690 20 0 EHADMP Fc1ccc(S[C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168389393 1036365598 /nfs/dbraw/zinc/36/55/98/1036365598.db2.gz NNAOBWJLPSHNME-IBGZPJMESA-N 2 1 334.504 3.867 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(CO)cc2)CC1)CC(C)C ZINC000492909585 1036380077 /nfs/dbraw/zinc/38/00/77/1036380077.db2.gz DPPHBLNHHITYEW-UHFFFAOYSA-N 2 1 332.532 3.759 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192034726 1036459126 /nfs/dbraw/zinc/45/91/26/1036459126.db2.gz CNSWIAMMXCRQSQ-FQEVSTJZSA-N 3 1 338.499 3.631 20 0 EHADMP Cc1ccc(C)c(OCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000541599220 1036483081 /nfs/dbraw/zinc/48/30/81/1036483081.db2.gz BQRFDESYHAHJLG-RTBURBONSA-N 2 1 330.516 3.925 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000464776134 1036766279 /nfs/dbraw/zinc/76/62/79/1036766279.db2.gz KHCIFNRFPPNGGP-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000464776134 1036766298 /nfs/dbraw/zinc/76/62/98/1036766298.db2.gz KHCIFNRFPPNGGP-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc3ccccc3c2)C1 ZINC000464788037 1036788746 /nfs/dbraw/zinc/78/87/46/1036788746.db2.gz GODJSKFMLSGKJD-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000464788037 1036788767 /nfs/dbraw/zinc/78/87/67/1036788767.db2.gz GODJSKFMLSGKJD-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000464788037 1036788776 /nfs/dbraw/zinc/78/87/76/1036788776.db2.gz GODJSKFMLSGKJD-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000462357446 1036867090 /nfs/dbraw/zinc/86/70/90/1036867090.db2.gz HPSXNYBMPGMYPX-OPYAIIAOSA-N 2 1 330.516 3.966 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000462357446 1036867115 /nfs/dbraw/zinc/86/71/15/1036867115.db2.gz HPSXNYBMPGMYPX-OPYAIIAOSA-N 2 1 330.516 3.966 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000539545476 1036895683 /nfs/dbraw/zinc/89/56/83/1036895683.db2.gz MMBGOKVUGYDDFF-WOJBJXKFSA-N 2 1 332.532 3.938 20 0 EHADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462391223 1036911050 /nfs/dbraw/zinc/91/10/50/1036911050.db2.gz DCSSFCMYZXOTOJ-KRWDZBQOSA-N 2 1 342.405 3.550 20 0 EHADMP C[C@H]([NH2+]CCCOc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310836269 1036913268 /nfs/dbraw/zinc/91/32/68/1036913268.db2.gz MTJJMOOOAUPTGO-FPOVZHCZSA-N 2 1 338.495 3.956 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000539816996 1037233938 /nfs/dbraw/zinc/23/39/38/1037233938.db2.gz MBDOUTMKWYTXOS-WCQYABFASA-N 2 1 331.323 3.815 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539898887 1037338527 /nfs/dbraw/zinc/33/85/27/1037338527.db2.gz JHGYVOCHGPJPSU-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539898887 1037338549 /nfs/dbraw/zinc/33/85/49/1037338549.db2.gz JHGYVOCHGPJPSU-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539898887 1037338569 /nfs/dbraw/zinc/33/85/69/1037338569.db2.gz JHGYVOCHGPJPSU-WIYYLYMNSA-N 2 1 328.500 3.924 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462787132 1037396294 /nfs/dbraw/zinc/39/62/94/1037396294.db2.gz JBEZNJYINPQVBY-SFHVURJKSA-N 2 1 346.515 3.806 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462787132 1037396307 /nfs/dbraw/zinc/39/63/07/1037396307.db2.gz JBEZNJYINPQVBY-SFHVURJKSA-N 2 1 346.515 3.806 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC000491359123 1037419209 /nfs/dbraw/zinc/41/92/09/1037419209.db2.gz JJUQMGFDVCYKPN-AVRDEDQJSA-N 2 1 344.543 3.792 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2C(C)C)CC1 ZINC000462839171 1037460756 /nfs/dbraw/zinc/46/07/56/1037460756.db2.gz HDFWWGOMLILUGL-TZIWHRDSSA-N 2 1 330.516 3.647 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc([S@](C)=O)cc3)CC2)C1 ZINC000181250797 1037474129 /nfs/dbraw/zinc/47/41/29/1037474129.db2.gz GLPHUHCXUXFYGV-MTJJIEKYSA-N 2 1 348.556 3.557 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000423521328 1037521668 /nfs/dbraw/zinc/52/16/68/1037521668.db2.gz SPVCPCZFKOLCDW-FKBYEOEOSA-N 3 1 337.511 3.892 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000423521328 1037521679 /nfs/dbraw/zinc/52/16/79/1037521679.db2.gz SPVCPCZFKOLCDW-FKBYEOEOSA-N 3 1 337.511 3.892 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000591700526 1037561307 /nfs/dbraw/zinc/56/13/07/1037561307.db2.gz IOYRKZJRYKRMSX-HZPDHXFCSA-N 2 1 345.487 3.803 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000591700527 1037561791 /nfs/dbraw/zinc/56/17/91/1037561791.db2.gz IOYRKZJRYKRMSX-JKSUJKDBSA-N 2 1 345.487 3.803 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000532539563 1037569706 /nfs/dbraw/zinc/56/97/06/1037569706.db2.gz AZUXXBCGKXZQCN-UHFFFAOYSA-N 2 1 346.559 3.824 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000669419106 1037597107 /nfs/dbraw/zinc/59/71/07/1037597107.db2.gz RLHXFYUFCDPSCX-BPQIPLTHSA-N 2 1 336.545 3.719 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000540171677 1037639994 /nfs/dbraw/zinc/63/99/94/1037639994.db2.gz VOHGQTFEQDGDOK-WIYYLYMNSA-N 2 1 337.511 3.753 20 0 EHADMP CC1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001168213059 1037677982 /nfs/dbraw/zinc/67/79/82/1037677982.db2.gz VMZMAIHCCXVLSK-CTWPCTMYSA-N 2 1 346.515 3.914 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905145 1037702786 /nfs/dbraw/zinc/70/27/86/1037702786.db2.gz GVAVYOYGZRDIRC-SUMWQHHRSA-N 2 1 349.316 3.819 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000493910031 1037705297 /nfs/dbraw/zinc/70/52/97/1037705297.db2.gz YGWNKOFWVUNFDH-UHFFFAOYSA-N 2 1 338.495 3.976 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000493917581 1037711150 /nfs/dbraw/zinc/71/11/50/1037711150.db2.gz SGQGFGASVMHZAK-VBNZEHGJSA-N 2 1 337.305 3.817 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000493917581 1037711168 /nfs/dbraw/zinc/71/11/68/1037711168.db2.gz SGQGFGASVMHZAK-VBNZEHGJSA-N 2 1 337.305 3.817 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928616 1037727146 /nfs/dbraw/zinc/72/71/46/1037727146.db2.gz VCIATHOVPGOMNL-BBRMVZONSA-N 2 1 337.305 3.676 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078216 1037744825 /nfs/dbraw/zinc/74/48/25/1037744825.db2.gz ODCISYGFXMRUCJ-FXAWDEMLSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078216 1037744839 /nfs/dbraw/zinc/74/48/39/1037744839.db2.gz ODCISYGFXMRUCJ-FXAWDEMLSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000463143622 1037789884 /nfs/dbraw/zinc/78/98/84/1037789884.db2.gz IGLVBKITZBWPMC-XWSHUIEDSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000463143622 1037789904 /nfs/dbraw/zinc/78/99/04/1037789904.db2.gz IGLVBKITZBWPMC-XWSHUIEDSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000463143622 1037789925 /nfs/dbraw/zinc/78/99/25/1037789925.db2.gz IGLVBKITZBWPMC-XWSHUIEDSA-N 2 1 343.559 3.892 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315221 1037804185 /nfs/dbraw/zinc/80/41/85/1037804185.db2.gz GPJDFCQTLCOHOT-FCHUYYIVSA-N 2 1 338.495 3.610 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000540315221 1037804200 /nfs/dbraw/zinc/80/42/00/1037804200.db2.gz GPJDFCQTLCOHOT-FCHUYYIVSA-N 2 1 338.495 3.610 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4C[C@H]4c4ccccc4)C[C@H]3C2)cc1 ZINC000463204418 1037872736 /nfs/dbraw/zinc/87/27/36/1037872736.db2.gz JIYLGSNUCXKEFK-BXXSPATCSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4C[C@H]4c4ccccc4)C[C@H]3C2)cc1 ZINC000463204418 1037872756 /nfs/dbraw/zinc/87/27/56/1037872756.db2.gz JIYLGSNUCXKEFK-BXXSPATCSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4C[C@H]4c4ccccc4)C[C@H]3C2)cc1 ZINC000463204418 1037872766 /nfs/dbraw/zinc/87/27/66/1037872766.db2.gz JIYLGSNUCXKEFK-BXXSPATCSA-N 2 1 332.491 3.996 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463237986 1037923898 /nfs/dbraw/zinc/92/38/98/1037923898.db2.gz SIRZWFHKELCPLA-STZQEDGTSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463237986 1037923919 /nfs/dbraw/zinc/92/39/19/1037923919.db2.gz SIRZWFHKELCPLA-STZQEDGTSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180442580 1038175664 /nfs/dbraw/zinc/17/56/64/1038175664.db2.gz UQHPAQFZRQHUJW-DOTOQJQBSA-N 2 1 336.483 3.764 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000124664395 1038219701 /nfs/dbraw/zinc/21/97/01/1038219701.db2.gz NLSXHKWXTMJKSH-PMACEKPBSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000125128786 1038283060 /nfs/dbraw/zinc/28/30/60/1038283060.db2.gz CMHASOYEASGFHG-OAQYLSRUSA-N 2 1 341.499 3.695 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000125128786 1038283072 /nfs/dbraw/zinc/28/30/72/1038283072.db2.gz CMHASOYEASGFHG-OAQYLSRUSA-N 2 1 341.499 3.695 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C ZINC000194288813 1038562749 /nfs/dbraw/zinc/56/27/49/1038562749.db2.gz SGCHDSYTPHQIPD-OAQYLSRUSA-N 2 1 338.495 3.658 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000545457305 1038652728 /nfs/dbraw/zinc/65/27/28/1038652728.db2.gz CMXSKKGZEVXDIZ-FXAWDEMLSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000539049428 1038653681 /nfs/dbraw/zinc/65/36/81/1038653681.db2.gz IQGXGBJTKOMLSD-XHDPSFHLSA-N 2 1 345.712 3.575 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059094 1038660233 /nfs/dbraw/zinc/66/02/33/1038660233.db2.gz MPUVVGWBVUDJLZ-PXNSSMCTSA-N 2 1 348.494 3.514 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000539200114 1038725828 /nfs/dbraw/zinc/72/58/28/1038725828.db2.gz AWUFYKDOKQFEPJ-LJQANCHMSA-N 2 1 337.939 3.654 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554071448 1038855043 /nfs/dbraw/zinc/85/50/43/1038855043.db2.gz KGPDOMLIWAIASK-QLFBSQMISA-N 2 1 336.442 3.587 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554071448 1038855066 /nfs/dbraw/zinc/85/50/66/1038855066.db2.gz KGPDOMLIWAIASK-QLFBSQMISA-N 2 1 336.442 3.587 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916653 1038898963 /nfs/dbraw/zinc/89/89/63/1038898963.db2.gz SIWFEMQCRZKJRD-MOPGFXCFSA-N 3 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916653 1038898994 /nfs/dbraw/zinc/89/89/94/1038898994.db2.gz SIWFEMQCRZKJRD-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916653 1038899020 /nfs/dbraw/zinc/89/90/20/1038899020.db2.gz SIWFEMQCRZKJRD-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363918184 1038924140 /nfs/dbraw/zinc/92/41/40/1038924140.db2.gz BQRMHQUCNNWXJA-XIRDDKMYSA-N 2 1 349.906 3.582 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000363922790 1038951845 /nfs/dbraw/zinc/95/18/45/1038951845.db2.gz FTVCUTWXLWKDCI-WJFTUGDTSA-N 2 1 344.547 3.689 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000552265142 1039123666 /nfs/dbraw/zinc/12/36/66/1039123666.db2.gz LFVHUGMFPNNJHK-YRPNKDGESA-N 2 1 330.541 3.772 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000552253707 1039134099 /nfs/dbraw/zinc/13/40/99/1039134099.db2.gz QMEDCSLBTQELQQ-OTWHNJEPSA-N 2 1 346.515 3.837 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438339 1039182006 /nfs/dbraw/zinc/18/20/06/1039182006.db2.gz YBLCBUCJLNYHPA-NSISKUIASA-N 2 1 348.556 3.527 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000488438339 1039182013 /nfs/dbraw/zinc/18/20/13/1039182013.db2.gz YBLCBUCJLNYHPA-NSISKUIASA-N 2 1 348.556 3.527 20 0 EHADMP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000898517950 1039186957 /nfs/dbraw/zinc/18/69/57/1039186957.db2.gz DQBKDBWOUJHOCZ-FGTMMUONSA-N 2 1 327.497 3.533 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660115196 1039192892 /nfs/dbraw/zinc/19/28/92/1039192892.db2.gz MKFFLEORPRQEOD-DNVCBOLYSA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115196 1039192903 /nfs/dbraw/zinc/19/29/03/1039192903.db2.gz MKFFLEORPRQEOD-DNVCBOLYSA-N 2 1 341.524 3.788 20 0 EHADMP c1ccc2c(c1)snc2CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000660115196 1039192912 /nfs/dbraw/zinc/19/29/12/1039192912.db2.gz MKFFLEORPRQEOD-DNVCBOLYSA-N 2 1 341.524 3.788 20 0 EHADMP C[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796157 1039220665 /nfs/dbraw/zinc/22/06/65/1039220665.db2.gz FOTWTPVPVFDOQU-RHSMWYFYSA-N 2 1 339.321 3.969 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796157 1039220687 /nfs/dbraw/zinc/22/06/87/1039220687.db2.gz FOTWTPVPVFDOQU-RHSMWYFYSA-N 2 1 339.321 3.969 20 0 EHADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159845 1039330367 /nfs/dbraw/zinc/33/03/67/1039330367.db2.gz UXSPXRONLAWMCO-UXHICEINSA-N 2 1 336.483 3.943 20 0 EHADMP CCn1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(-c2ccccc2)n1 ZINC000641715758 1039339686 /nfs/dbraw/zinc/33/96/86/1039339686.db2.gz ABLPAUIWXHISFK-MRXNPFEDSA-N 2 1 337.471 3.501 20 0 EHADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000629500540 1039389694 /nfs/dbraw/zinc/38/96/94/1039389694.db2.gz DZISKJVSSHIDGW-CZUORRHYSA-N 2 1 337.305 3.627 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193619 1039474398 /nfs/dbraw/zinc/47/43/98/1039474398.db2.gz QQOPBKYOAWXYGZ-OXJNMPFZSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193619 1039474408 /nfs/dbraw/zinc/47/44/08/1039474408.db2.gz QQOPBKYOAWXYGZ-OXJNMPFZSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000552922974 1039640993 /nfs/dbraw/zinc/64/09/93/1039640993.db2.gz CLYIBMJDGNRQNA-ZHHKINOHSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000552922974 1039641000 /nfs/dbraw/zinc/64/10/00/1039641000.db2.gz CLYIBMJDGNRQNA-ZHHKINOHSA-N 2 1 344.543 3.960 20 0 EHADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000480562046 1039700836 /nfs/dbraw/zinc/70/08/36/1039700836.db2.gz IMAOLGNPJGRKNO-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562046 1039700851 /nfs/dbraw/zinc/70/08/51/1039700851.db2.gz IMAOLGNPJGRKNO-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562046 1039700864 /nfs/dbraw/zinc/70/08/64/1039700864.db2.gz IMAOLGNPJGRKNO-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614679 1039757831 /nfs/dbraw/zinc/75/78/31/1039757831.db2.gz NVFYWCZGAULEGU-IAOVAPTHSA-N 2 1 342.405 3.905 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000480614679 1039757846 /nfs/dbraw/zinc/75/78/46/1039757846.db2.gz NVFYWCZGAULEGU-IAOVAPTHSA-N 2 1 342.405 3.905 20 0 EHADMP CC(C)[C@@H]1C[NH+](CCC[N@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000489324778 1039853986 /nfs/dbraw/zinc/85/39/86/1039853986.db2.gz IJNCEIWQLKPYKG-IRXDYDNUSA-N 2 1 330.607 3.523 20 0 EHADMP C[C@@H](NCc1cc(C2CC2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660219241 1039889516 /nfs/dbraw/zinc/88/95/16/1039889516.db2.gz DUEMEZKHTVPDDK-CRAIPNDOSA-N 2 1 325.456 3.552 20 0 EHADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000480719006 1039943053 /nfs/dbraw/zinc/94/30/53/1039943053.db2.gz WXPNFQMTOAMNIM-MOPGFXCFSA-N 2 1 347.547 3.542 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000554938433 1039976247 /nfs/dbraw/zinc/97/62/47/1039976247.db2.gz HFSQQCWCXSLTEA-QGZVFWFLSA-N 2 1 345.918 3.958 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000554938433 1039976256 /nfs/dbraw/zinc/97/62/56/1039976256.db2.gz HFSQQCWCXSLTEA-QGZVFWFLSA-N 2 1 345.918 3.958 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000554938433 1039976272 /nfs/dbraw/zinc/97/62/72/1039976272.db2.gz HFSQQCWCXSLTEA-QGZVFWFLSA-N 2 1 345.918 3.958 20 0 EHADMP CCCOc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1OC ZINC000480909943 1040151696 /nfs/dbraw/zinc/15/16/96/1040151696.db2.gz LGCRUROANQCJFV-UHFFFAOYSA-N 2 1 334.504 3.696 20 0 EHADMP Cc1ncsc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000553521079 1040160364 /nfs/dbraw/zinc/16/03/64/1040160364.db2.gz WURGVPFDXVGUDV-QWHZDKJVSA-N 2 1 329.513 3.698 20 0 EHADMP Cc1ncsc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000553521079 1040160377 /nfs/dbraw/zinc/16/03/77/1040160377.db2.gz WURGVPFDXVGUDV-QWHZDKJVSA-N 2 1 329.513 3.698 20 0 EHADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441975 1040233635 /nfs/dbraw/zinc/23/36/35/1040233635.db2.gz BSJZRDBZFOREPR-VCOUNFBDSA-N 2 1 338.495 3.874 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030748 1040276660 /nfs/dbraw/zinc/27/66/60/1040276660.db2.gz BITAPKYYRNMTMK-SJLPKXTDSA-N 2 1 348.556 3.829 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000481031339 1040292056 /nfs/dbraw/zinc/29/20/56/1040292056.db2.gz ARKGZENBVNVDGD-PBHICJAKSA-N 2 1 348.487 3.662 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000555235888 1040323214 /nfs/dbraw/zinc/32/32/14/1040323214.db2.gz OGRRLCWAYUFDIX-XMCAMKFCSA-N 2 1 344.543 3.907 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C2 ZINC000490126787 1040364033 /nfs/dbraw/zinc/36/40/33/1040364033.db2.gz XZHYEEHJBNEEHM-DCXXXQMHSA-N 2 1 330.516 3.707 20 0 EHADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000512649850 1040395334 /nfs/dbraw/zinc/39/53/34/1040395334.db2.gz UZUJAKOFUSKIDH-PCCBWWKXSA-N 2 1 342.527 3.693 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000512660146 1040443224 /nfs/dbraw/zinc/44/32/24/1040443224.db2.gz LJJPKECXXLVMBV-UWHLTILDSA-N 2 1 330.516 3.548 20 0 EHADMP Fc1ccc(C[C@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667542697 1040532882 /nfs/dbraw/zinc/53/28/82/1040532882.db2.gz AYIPVNKWHPGTCZ-LJQANCHMSA-N 2 1 336.414 3.614 20 0 EHADMP Fc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667542697 1040532901 /nfs/dbraw/zinc/53/29/01/1040532901.db2.gz AYIPVNKWHPGTCZ-LJQANCHMSA-N 2 1 336.414 3.614 20 0 EHADMP Fc1ccc(C[C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667542697 1040532918 /nfs/dbraw/zinc/53/29/18/1040532918.db2.gz AYIPVNKWHPGTCZ-LJQANCHMSA-N 2 1 336.414 3.614 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667872447 1040782993 /nfs/dbraw/zinc/78/29/93/1040782993.db2.gz AEGMZEGPKDDTEY-FPOVZHCZSA-N 2 1 340.467 3.569 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001167753367 1040853562 /nfs/dbraw/zinc/85/35/62/1040853562.db2.gz OAEYDWZBABNSCL-SFHVURJKSA-N 2 1 345.531 3.632 20 0 EHADMP Cc1ccccc1OC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168372944 1040971124 /nfs/dbraw/zinc/97/11/24/1040971124.db2.gz OAECUZAUXRNANG-UHFFFAOYSA-N 2 1 328.500 3.713 20 0 EHADMP COCCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364362892 1040998572 /nfs/dbraw/zinc/99/85/72/1040998572.db2.gz XBKGSGGBZGMXQF-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP COCCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000364362894 1040998717 /nfs/dbraw/zinc/99/87/17/1040998717.db2.gz XBKGSGGBZGMXQF-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1cccc([C@@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390560498 1041006736 /nfs/dbraw/zinc/00/67/36/1041006736.db2.gz MLXLYQPEPKEPQI-DENIHFKCSA-N 2 1 338.495 3.937 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000668785984 1041013238 /nfs/dbraw/zinc/01/32/38/1041013238.db2.gz RYHVMIGFRQEUDI-NRFANRHFSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000668785984 1041013253 /nfs/dbraw/zinc/01/32/53/1041013253.db2.gz RYHVMIGFRQEUDI-NRFANRHFSA-N 2 1 346.515 3.551 20 0 EHADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CCCCC2)cc1 ZINC000481556232 1041068096 /nfs/dbraw/zinc/06/80/96/1041068096.db2.gz JEHVFFDWYZJWNI-HKUYNNGSSA-N 2 1 330.516 3.969 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000629549981 1041107201 /nfs/dbraw/zinc/10/72/01/1041107201.db2.gz URVFGFGHGSJDPO-DUXKGJEZSA-N 2 1 345.531 3.628 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C[C@H](C)[N@@H+]1C ZINC000899878136 1041272345 /nfs/dbraw/zinc/27/23/45/1041272345.db2.gz YEZJIIKJQONHHV-TXEJJXNPSA-N 2 1 339.361 3.662 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433336340 1041313327 /nfs/dbraw/zinc/31/33/27/1041313327.db2.gz PDTGPZIJOZGAFI-LBPRGKRZSA-N 2 1 335.439 3.906 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433336340 1041313334 /nfs/dbraw/zinc/31/33/34/1041313334.db2.gz PDTGPZIJOZGAFI-LBPRGKRZSA-N 2 1 335.439 3.906 20 0 EHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657831 1041756041 /nfs/dbraw/zinc/75/60/41/1041756041.db2.gz ANLCSKXBXAZHMV-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657831 1041756049 /nfs/dbraw/zinc/75/60/49/1041756049.db2.gz ANLCSKXBXAZHMV-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657831 1041756054 /nfs/dbraw/zinc/75/60/54/1041756054.db2.gz ANLCSKXBXAZHMV-KRWDZBQOSA-N 2 1 342.405 3.502 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678600 1041768789 /nfs/dbraw/zinc/76/87/89/1041768789.db2.gz WLKPHHZIORUKBQ-NRFANRHFSA-N 2 1 329.532 3.504 20 0 EHADMP c1ccc(C[NH2+]C2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc1 ZINC000660675685 1041769640 /nfs/dbraw/zinc/76/96/40/1041769640.db2.gz KJZYFPCVBXSTLP-UHFFFAOYSA-N 2 1 331.463 3.989 20 0 EHADMP c1cn(-c2ccc(C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)cc2)cn1 ZINC000660676531 1041769760 /nfs/dbraw/zinc/76/97/60/1041769760.db2.gz SHHAMCWFDNTMGE-UHFFFAOYSA-N 2 1 346.478 3.627 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1c(Cl)cccc1OC(F)F)C1CC1 ZINC000651599743 1041771705 /nfs/dbraw/zinc/77/17/05/1041771705.db2.gz AUHZJOLPYCCKNP-UHFFFAOYSA-N 2 1 332.822 3.905 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000651636841 1041818853 /nfs/dbraw/zinc/81/88/53/1041818853.db2.gz VDDBQTNNWMEDSZ-MOPGFXCFSA-N 2 1 326.488 3.516 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)c2ccccn21 ZINC000651636841 1041818858 /nfs/dbraw/zinc/81/88/58/1041818858.db2.gz VDDBQTNNWMEDSZ-MOPGFXCFSA-N 2 1 326.488 3.516 20 0 EHADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000651699969 1041941458 /nfs/dbraw/zinc/94/14/58/1041941458.db2.gz NUKRMUWCOUVDQI-WOJBJXKFSA-N 2 1 332.532 3.592 20 0 EHADMP CC[N@H+](CCC[NH2+]Cc1ccccc1NC(C)=O)C1CCCCC1 ZINC000651910079 1042174269 /nfs/dbraw/zinc/17/42/69/1042174269.db2.gz GKMIODMGAMYGRD-UHFFFAOYSA-N 2 1 331.504 3.779 20 0 EHADMP CC[N@@H+](CCC[NH2+]Cc1ccccc1NC(C)=O)C1CCCCC1 ZINC000651910079 1042174276 /nfs/dbraw/zinc/17/42/76/1042174276.db2.gz GKMIODMGAMYGRD-UHFFFAOYSA-N 2 1 331.504 3.779 20 0 EHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2c1C ZINC000473143350 1042310904 /nfs/dbraw/zinc/31/09/04/1042310904.db2.gz MCVLDWANDHDIOF-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2c1C ZINC000473143350 1042310908 /nfs/dbraw/zinc/31/09/08/1042310908.db2.gz MCVLDWANDHDIOF-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2c1C ZINC000473143350 1042310911 /nfs/dbraw/zinc/31/09/11/1042310911.db2.gz MCVLDWANDHDIOF-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2c1C ZINC000473143350 1042310917 /nfs/dbraw/zinc/31/09/17/1042310917.db2.gz MCVLDWANDHDIOF-SFHVURJKSA-N 2 1 325.500 3.948 20 0 EHADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336025 1042390276 /nfs/dbraw/zinc/39/02/76/1042390276.db2.gz ZKFMJMCLOAVYLB-UHFFFAOYSA-N 2 1 332.394 3.566 20 0 EHADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000245639892 1042501908 /nfs/dbraw/zinc/50/19/08/1042501908.db2.gz DCCTYVORQKUWRK-PLMTUMEDSA-N 2 1 328.500 3.747 20 0 EHADMP Fc1cccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294610 1042664120 /nfs/dbraw/zinc/66/41/20/1042664120.db2.gz CRMICJDKTFCFCN-KRWDZBQOSA-N 2 1 343.446 3.692 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000662323112 1042684696 /nfs/dbraw/zinc/68/46/96/1042684696.db2.gz LBRMABIMDWQNJK-FQEVSTJZSA-N 2 1 344.524 3.958 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000221911545 1042702629 /nfs/dbraw/zinc/70/26/29/1042702629.db2.gz IQDKBELRURLWCE-GFCCVEGCSA-N 2 1 331.273 3.969 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000221911545 1042702633 /nfs/dbraw/zinc/70/26/33/1042702633.db2.gz IQDKBELRURLWCE-GFCCVEGCSA-N 2 1 331.273 3.969 20 0 EHADMP c1cncc(-c2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c2)c1 ZINC000663346911 1042733396 /nfs/dbraw/zinc/73/33/96/1042733396.db2.gz XLKWYLAIOUOSNF-FQEVSTJZSA-N 2 1 335.495 3.960 20 0 EHADMP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347569 1042737739 /nfs/dbraw/zinc/73/77/39/1042737739.db2.gz OYXAXGMYUNPMOG-INIZCTEOSA-N 2 1 337.305 3.661 20 0 EHADMP c1cc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000662505025 1042765608 /nfs/dbraw/zinc/76/56/08/1042765608.db2.gz XMYTZZPNISVPFV-FQEVSTJZSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]n1 ZINC000662505025 1042765611 /nfs/dbraw/zinc/76/56/11/1042765611.db2.gz XMYTZZPNISVPFV-FQEVSTJZSA-N 2 1 338.499 3.775 20 0 EHADMP c1cc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]n1 ZINC000662505025 1042765615 /nfs/dbraw/zinc/76/56/15/1042765615.db2.gz XMYTZZPNISVPFV-FQEVSTJZSA-N 2 1 338.499 3.775 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000511988259 1042903544 /nfs/dbraw/zinc/90/35/44/1042903544.db2.gz HBAMUXYTMCCCID-WOPDTQHZSA-N 2 1 331.323 3.952 20 0 EHADMP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000925774751 1042872857 /nfs/dbraw/zinc/87/28/57/1042872857.db2.gz CFITVEAZEHTCIR-WCQYABFASA-N 2 1 332.822 3.552 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)sc1Br ZINC000511988259 1042903546 /nfs/dbraw/zinc/90/35/46/1042903546.db2.gz HBAMUXYTMCCCID-WOPDTQHZSA-N 2 1 331.323 3.952 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000278913278 1042929074 /nfs/dbraw/zinc/92/90/74/1042929074.db2.gz HBIRKQNPOHADCU-UONOGXRCSA-N 2 1 331.485 3.527 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000278933264 1042986865 /nfs/dbraw/zinc/98/68/65/1042986865.db2.gz JJOULZCJTIZGDE-CZUORRHYSA-N 2 1 348.288 3.949 20 0 EHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418092 1043151193 /nfs/dbraw/zinc/15/11/93/1043151193.db2.gz PWTYTKXMPHOGMQ-OXJNMPFZSA-N 2 1 346.515 3.508 20 0 EHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587587 1043322909 /nfs/dbraw/zinc/32/29/09/1043322909.db2.gz YUPUZBYRPORLJF-HUUCEWRRSA-N 2 1 328.447 3.927 20 0 EHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000324587587 1043322914 /nfs/dbraw/zinc/32/29/14/1043322914.db2.gz YUPUZBYRPORLJF-HUUCEWRRSA-N 2 1 328.447 3.927 20 0 EHADMP COc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279169979 1043496380 /nfs/dbraw/zinc/49/63/80/1043496380.db2.gz BRISARKPWLSHAD-UHFFFAOYSA-N 2 1 325.456 3.608 20 0 EHADMP C/C(=C/c1ccccc1)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512183667 1043738940 /nfs/dbraw/zinc/73/89/40/1043738940.db2.gz VXMLSONRJKELLH-HXBBEDJTSA-N 2 1 342.527 3.911 20 0 EHADMP CCOc1ccc([C@H](CC)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OCC ZINC000163299591 1043926243 /nfs/dbraw/zinc/92/62/43/1043926243.db2.gz VIVJVXCLVYIYSZ-AEFFLSMTSA-N 2 1 334.504 3.867 20 0 EHADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000154392804 1125716924 /nfs/dbraw/zinc/71/69/24/1125716924.db2.gz FKHBTSLOMICYKA-AWEZNQCLSA-N 2 1 344.330 3.672 20 0 EHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622543638 1126718551 /nfs/dbraw/zinc/71/85/51/1126718551.db2.gz OKKLDDATBFZUGA-HXUWFJFHSA-N 2 1 343.515 3.526 20 0 EHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623343849 1126922593 /nfs/dbraw/zinc/92/25/93/1126922593.db2.gz KZHIBCDVMMUTRB-LJQANCHMSA-N 2 1 340.515 3.511 20 0 EHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623343849 1126922597 /nfs/dbraw/zinc/92/25/97/1126922597.db2.gz KZHIBCDVMMUTRB-LJQANCHMSA-N 2 1 340.515 3.511 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(Br)c(F)c2)CC1(C)C ZINC000623384629 1126939591 /nfs/dbraw/zinc/93/95/91/1126939591.db2.gz AQARWQYPIRZWEP-GFCCVEGCSA-N 2 1 329.257 3.551 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1(C)C ZINC000623384629 1126939596 /nfs/dbraw/zinc/93/95/96/1126939596.db2.gz AQARWQYPIRZWEP-GFCCVEGCSA-N 2 1 329.257 3.551 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)CC1(C)C ZINC000623380091 1126940351 /nfs/dbraw/zinc/94/03/51/1126940351.db2.gz SBJFEEMFWYFDGW-CYBMUJFWSA-N 2 1 343.284 3.593 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422228 1126950951 /nfs/dbraw/zinc/95/09/51/1126950951.db2.gz NKQLVEBYPSDARB-YLJYHZDGSA-N 3 1 329.532 3.674 20 0 EHADMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)cc(C(F)(F)F)c1 ZINC000623429404 1126953539 /nfs/dbraw/zinc/95/35/39/1126953539.db2.gz BWQDQXFIIBGWNZ-UHFFFAOYSA-N 2 1 341.377 3.789 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000623441416 1126956002 /nfs/dbraw/zinc/95/60/02/1126956002.db2.gz SGVAJOCKXFVSRD-LPHOPBHVSA-N 2 1 334.467 3.706 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000623441416 1126956003 /nfs/dbraw/zinc/95/60/03/1126956003.db2.gz SGVAJOCKXFVSRD-LPHOPBHVSA-N 2 1 334.467 3.706 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC1CC1 ZINC000623468645 1126962227 /nfs/dbraw/zinc/96/22/27/1126962227.db2.gz AGIAKMDJYSKIHH-SFHVURJKSA-N 2 1 346.515 3.694 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521927 1126974420 /nfs/dbraw/zinc/97/44/20/1126974420.db2.gz PKZMOXZWWDJERA-BBRMVZONSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000623521927 1126974421 /nfs/dbraw/zinc/97/44/21/1126974421.db2.gz PKZMOXZWWDJERA-BBRMVZONSA-N 2 1 345.314 3.879 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000623545066 1126977921 /nfs/dbraw/zinc/97/79/21/1126977921.db2.gz ZOQXFGHTZFQAHF-UHFFFAOYSA-N 2 1 347.247 3.691 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656042 1127005652 /nfs/dbraw/zinc/00/56/52/1127005652.db2.gz LQOWGOYMFRZCNJ-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656042 1127005656 /nfs/dbraw/zinc/00/56/56/1127005656.db2.gz LQOWGOYMFRZCNJ-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656042 1127005661 /nfs/dbraw/zinc/00/56/61/1127005661.db2.gz LQOWGOYMFRZCNJ-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1Cl ZINC000623800319 1127181837 /nfs/dbraw/zinc/18/18/37/1127181837.db2.gz DRUXEPQUFCZHLN-KGLIPLIRSA-N 2 1 335.854 3.719 20 0 EHADMP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623893671 1127207417 /nfs/dbraw/zinc/20/74/17/1127207417.db2.gz YNTBYAKXTVCLSV-FPOVZHCZSA-N 2 1 330.516 3.631 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000624095820 1127249641 /nfs/dbraw/zinc/24/96/41/1127249641.db2.gz NEAPDKRCHWUFCM-KDOFPFPSSA-N 2 1 348.441 3.561 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC3 ZINC000624122732 1127256862 /nfs/dbraw/zinc/25/68/62/1127256862.db2.gz ZSTSHYMLVHDMLT-IRXDYDNUSA-N 2 1 325.500 3.655 20 0 EHADMP Cc1c([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120565 1127255156 /nfs/dbraw/zinc/25/51/56/1127255156.db2.gz BRLAEMVWGUUUDP-WBVHZDCISA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120565 1127255159 /nfs/dbraw/zinc/25/51/59/1127255159.db2.gz BRLAEMVWGUUUDP-WBVHZDCISA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120565 1127255161 /nfs/dbraw/zinc/25/51/61/1127255161.db2.gz BRLAEMVWGUUUDP-WBVHZDCISA-N 2 1 344.478 3.702 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000366366953 1127398429 /nfs/dbraw/zinc/39/84/29/1127398429.db2.gz RGAZRHFSJFMYEK-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000366366953 1127398432 /nfs/dbraw/zinc/39/84/32/1127398432.db2.gz RGAZRHFSJFMYEK-HLAWJBBLSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H](CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000184509750 1127407145 /nfs/dbraw/zinc/40/71/45/1127407145.db2.gz MOQDHGBQUCWKME-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@@H]1CC[NH3+] ZINC000404409702 1127415106 /nfs/dbraw/zinc/41/51/06/1127415106.db2.gz BUPWSVKNRKEDRA-CXAGYDPISA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@@H]1CC[NH3+] ZINC000404409702 1127415107 /nfs/dbraw/zinc/41/51/07/1127415107.db2.gz BUPWSVKNRKEDRA-CXAGYDPISA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@H]1CC[NH3+] ZINC000404409708 1127415132 /nfs/dbraw/zinc/41/51/32/1127415132.db2.gz BUPWSVKNRKEDRA-GUYCJALGSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@H]1CC[NH3+] ZINC000404409708 1127415134 /nfs/dbraw/zinc/41/51/34/1127415134.db2.gz BUPWSVKNRKEDRA-GUYCJALGSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000368490093 1127416346 /nfs/dbraw/zinc/41/63/46/1127416346.db2.gz KGESBSWRIQVOOV-XLIONFOSSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000368490093 1127416347 /nfs/dbraw/zinc/41/63/47/1127416347.db2.gz KGESBSWRIQVOOV-XLIONFOSSA-N 2 1 329.532 3.502 20 0 EHADMP COc1cccc(CCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185682128 1127430364 /nfs/dbraw/zinc/43/03/64/1127430364.db2.gz FZWDFMYLLVBDRL-PKOBYXMFSA-N 2 1 330.516 3.870 20 0 EHADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299834 1127481865 /nfs/dbraw/zinc/48/18/65/1127481865.db2.gz ZVNZNLJCPWEMBM-LPHOPBHVSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000381299834 1127481866 /nfs/dbraw/zinc/48/18/66/1127481866.db2.gz ZVNZNLJCPWEMBM-LPHOPBHVSA-N 2 1 342.458 3.835 20 0 EHADMP C[C@H]([NH2+]CCOCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381879329 1127495250 /nfs/dbraw/zinc/49/52/50/1127495250.db2.gz OGWSKSBCGTUAGI-SIKLNZKXSA-N 2 1 338.495 3.703 20 0 EHADMP O=C(CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421617 1127509371 /nfs/dbraw/zinc/50/93/71/1127509371.db2.gz BPPALTHWWPLUFW-FCHUYYIVSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421617 1127509375 /nfs/dbraw/zinc/50/93/75/1127509375.db2.gz BPPALTHWWPLUFW-FCHUYYIVSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421617 1127509377 /nfs/dbraw/zinc/50/93/77/1127509377.db2.gz BPPALTHWWPLUFW-FCHUYYIVSA-N 2 1 348.490 3.713 20 0 EHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000382421617 1127509382 /nfs/dbraw/zinc/50/93/82/1127509382.db2.gz BPPALTHWWPLUFW-FCHUYYIVSA-N 2 1 348.490 3.713 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321374 1127537528 /nfs/dbraw/zinc/53/75/28/1127537528.db2.gz BCMWAPAPKVUABM-HKUYNNGSSA-N 2 1 327.447 3.784 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321374 1127537531 /nfs/dbraw/zinc/53/75/31/1127537531.db2.gz BCMWAPAPKVUABM-HKUYNNGSSA-N 2 1 327.447 3.784 20 0 EHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)ccc1Br)CC2 ZINC001137526506 1127584898 /nfs/dbraw/zinc/58/48/98/1127584898.db2.gz URLKVXHNHXIZKU-UHFFFAOYSA-N 2 1 343.696 3.630 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1 ZINC000765257202 1127590189 /nfs/dbraw/zinc/59/01/89/1127590189.db2.gz XTFDKHOEYVPAMV-IAGOWNOFSA-N 2 1 326.488 3.706 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000385698452 1127610443 /nfs/dbraw/zinc/61/04/43/1127610443.db2.gz IZNNNUKKYJSZJA-GFCCVEGCSA-N 2 1 331.323 3.818 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000385698452 1127610444 /nfs/dbraw/zinc/61/04/44/1127610444.db2.gz IZNNNUKKYJSZJA-GFCCVEGCSA-N 2 1 331.323 3.818 20 0 EHADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cc1 ZINC000386700174 1127712676 /nfs/dbraw/zinc/71/26/76/1127712676.db2.gz QEOWCXFDLDQPAU-OYRHEFFESA-N 2 1 336.479 3.697 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000069754053 1128291459 /nfs/dbraw/zinc/29/14/59/1128291459.db2.gz YZZFMAGLULFLFM-UHFFFAOYSA-N 2 1 335.451 3.950 20 0 EHADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622258 1128474917 /nfs/dbraw/zinc/47/49/17/1128474917.db2.gz IPAOJTUVFQBXNE-ZWKOTPCHSA-N 2 1 326.912 3.718 20 0 EHADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001168622258 1128474919 /nfs/dbraw/zinc/47/49/19/1128474919.db2.gz IPAOJTUVFQBXNE-ZWKOTPCHSA-N 2 1 326.912 3.718 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@@H](CCC[NH3+])C3)CCO2)cc1 ZINC001168628806 1128487442 /nfs/dbraw/zinc/48/74/42/1128487442.db2.gz GHSBPOPEALPCMQ-DSKINZAPSA-N 2 1 346.515 3.756 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)[C@@H]1c1cccs1 ZINC000921775127 1128753271 /nfs/dbraw/zinc/75/32/71/1128753271.db2.gz BMGVTASFHGZZDA-DNVCBOLYSA-N 2 1 344.528 3.842 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)[C@@H]1c1cccs1 ZINC000921775127 1128753275 /nfs/dbraw/zinc/75/32/75/1128753275.db2.gz BMGVTASFHGZZDA-DNVCBOLYSA-N 2 1 344.528 3.842 20 0 EHADMP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000111412271 1120019878 /nfs/dbraw/zinc/01/98/78/1120019878.db2.gz NOZVVCGBOBYKBR-UHFFFAOYSA-N 2 1 333.501 3.663 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC001648791844 1120031891 /nfs/dbraw/zinc/03/18/91/1120031891.db2.gz BOBBYBWLIGQEPW-SFHVURJKSA-N 2 1 348.494 3.999 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC001648791844 1120031896 /nfs/dbraw/zinc/03/18/96/1120031896.db2.gz BOBBYBWLIGQEPW-SFHVURJKSA-N 2 1 348.494 3.999 20 0 EHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000091871395 1120126157 /nfs/dbraw/zinc/12/61/57/1120126157.db2.gz RSXKRJYUTHOCHI-UHFFFAOYSA-N 2 1 329.257 3.551 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083472116 1120135227 /nfs/dbraw/zinc/13/52/27/1120135227.db2.gz ZEDXOZAYXGKASR-UHFFFAOYSA-N 2 1 332.498 3.947 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnn1-c1ccccc1 ZINC000467354335 1120519524 /nfs/dbraw/zinc/51/95/24/1120519524.db2.gz CLJJVRBHFFOIJY-QGZVFWFLSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000494556475 1120593934 /nfs/dbraw/zinc/59/39/34/1120593934.db2.gz FCQZPEPYLRGEIB-OXQOHEQNSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494556475 1120593936 /nfs/dbraw/zinc/59/39/36/1120593936.db2.gz FCQZPEPYLRGEIB-OXQOHEQNSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494556475 1120593938 /nfs/dbraw/zinc/59/39/38/1120593938.db2.gz FCQZPEPYLRGEIB-OXQOHEQNSA-N 2 1 341.499 3.626 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000190905909 1120653833 /nfs/dbraw/zinc/65/38/33/1120653833.db2.gz KQNOEOVIQZIEOZ-UHFFFAOYSA-N 2 1 344.547 3.670 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192775475 1120748023 /nfs/dbraw/zinc/74/80/23/1120748023.db2.gz AOEJVUFRTXYHPV-UHFFFAOYSA-N 2 1 343.471 3.669 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192775475 1120748029 /nfs/dbraw/zinc/74/80/29/1120748029.db2.gz AOEJVUFRTXYHPV-UHFFFAOYSA-N 2 1 343.471 3.669 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494891873 1120893835 /nfs/dbraw/zinc/89/38/35/1120893835.db2.gz QXAIIFJQIDRGBY-FUHWJXTLSA-N 2 1 333.524 3.528 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000494964795 1120920536 /nfs/dbraw/zinc/92/05/36/1120920536.db2.gz SLGRWQYGKACLDZ-PMACEKPBSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000494964795 1120920540 /nfs/dbraw/zinc/92/05/40/1120920540.db2.gz SLGRWQYGKACLDZ-PMACEKPBSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000494964795 1120920549 /nfs/dbraw/zinc/92/05/49/1120920549.db2.gz SLGRWQYGKACLDZ-PMACEKPBSA-N 2 1 330.541 3.728 20 0 EHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC000236767008 1121463550 /nfs/dbraw/zinc/46/35/50/1121463550.db2.gz DLGNAQBXKYUXHJ-UHFFFAOYSA-N 2 1 334.504 3.838 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008098 1121959738 /nfs/dbraw/zinc/95/97/38/1121959738.db2.gz AEZUXRJBCLSBDI-SVMVAKDDSA-N 2 1 338.495 3.823 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008098 1121959743 /nfs/dbraw/zinc/95/97/43/1121959743.db2.gz AEZUXRJBCLSBDI-SVMVAKDDSA-N 2 1 338.495 3.823 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COCc2ccccc21 ZINC000398105959 1121969634 /nfs/dbraw/zinc/96/96/34/1121969634.db2.gz BMTAXLUNVHNCQT-YHYVQYDKSA-N 2 1 336.479 3.758 20 0 EHADMP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000917014137 1122438878 /nfs/dbraw/zinc/43/88/78/1122438878.db2.gz UOJMRFMCUISLAN-PMACEKPBSA-N 2 1 330.516 3.578 20 0 EHADMP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000917014137 1122438880 /nfs/dbraw/zinc/43/88/80/1122438880.db2.gz UOJMRFMCUISLAN-PMACEKPBSA-N 2 1 330.516 3.578 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556092981 1122808887 /nfs/dbraw/zinc/80/88/87/1122808887.db2.gz CIVTWMBKSOFQES-RTWAWAEBSA-N 3 1 329.532 3.534 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556092981 1122808894 /nfs/dbraw/zinc/80/88/94/1122808894.db2.gz CIVTWMBKSOFQES-RTWAWAEBSA-N 3 1 329.532 3.534 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)C[C@@H]1c1ccccc1 ZINC000556118883 1122825808 /nfs/dbraw/zinc/82/58/08/1122825808.db2.gz LAXCORMWMZSNAO-FUHWJXTLSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)C[C@@H]1c1ccccc1 ZINC000556118883 1122825816 /nfs/dbraw/zinc/82/58/16/1122825816.db2.gz LAXCORMWMZSNAO-FUHWJXTLSA-N 2 1 345.874 3.539 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556238602 1122891453 /nfs/dbraw/zinc/89/14/53/1122891453.db2.gz CEYFMDZTZQSUSO-CIAFKFPVSA-N 2 1 342.527 3.692 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000556455567 1122982855 /nfs/dbraw/zinc/98/28/55/1122982855.db2.gz YQOWZMUOGWHBNB-KRWDZBQOSA-N 2 1 348.288 3.782 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)c(F)c1 ZINC000131043921 1123033442 /nfs/dbraw/zinc/03/34/42/1123033442.db2.gz DSJXIBTZZJCAJE-NSHDSACASA-N 2 1 341.268 3.866 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000131065427 1123036353 /nfs/dbraw/zinc/03/63/53/1123036353.db2.gz DDRDHZIFDBICEL-HMXCVIKNSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(F)c(C)c(Br)c2)CC1 ZINC001236213296 1123089342 /nfs/dbraw/zinc/08/93/42/1123089342.db2.gz NUDVUCWWMWELRE-UHFFFAOYSA-N 2 1 343.284 3.859 20 0 EHADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000556922689 1123210617 /nfs/dbraw/zinc/21/06/17/1123210617.db2.gz FTPLRWWSOBJIDR-YESZJQIVSA-N 2 1 338.417 3.829 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245574393 1123880687 /nfs/dbraw/zinc/88/06/87/1123880687.db2.gz DQHRGUYJEIPCAO-WFASDCNBSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245574393 1123880691 /nfs/dbraw/zinc/88/06/91/1123880691.db2.gz DQHRGUYJEIPCAO-WFASDCNBSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245574393 1123880697 /nfs/dbraw/zinc/88/06/97/1123880697.db2.gz DQHRGUYJEIPCAO-WFASDCNBSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245574393 1123880702 /nfs/dbraw/zinc/88/07/02/1123880702.db2.gz DQHRGUYJEIPCAO-WFASDCNBSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000245684847 1123922500 /nfs/dbraw/zinc/92/25/00/1123922500.db2.gz ALGCRXDWVMAWIL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Br ZINC000245684847 1123922503 /nfs/dbraw/zinc/92/25/03/1123922503.db2.gz ALGCRXDWVMAWIL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1Br ZINC000245684847 1123922507 /nfs/dbraw/zinc/92/25/07/1123922507.db2.gz ALGCRXDWVMAWIL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1Br ZINC000245684847 1123922508 /nfs/dbraw/zinc/92/25/08/1123922508.db2.gz ALGCRXDWVMAWIL-DZGCQCFKSA-N 2 1 325.294 3.672 20 0 EHADMP CCCCOc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000245686980 1123923066 /nfs/dbraw/zinc/92/30/66/1123923066.db2.gz ASWRHFBISRSVRY-FUHWJXTLSA-N 2 1 334.504 3.789 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000245686980 1123923068 /nfs/dbraw/zinc/92/30/68/1123923068.db2.gz ASWRHFBISRSVRY-FUHWJXTLSA-N 2 1 334.504 3.789 20 0 EHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000245955891 1123989960 /nfs/dbraw/zinc/98/99/60/1123989960.db2.gz XHJSFWPEEDQVFE-IRXDYDNUSA-N 2 1 344.499 3.883 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000246034542 1124003824 /nfs/dbraw/zinc/00/38/24/1124003824.db2.gz MQARVOKPGYFUOS-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1nccn1C ZINC000246034542 1124003830 /nfs/dbraw/zinc/00/38/30/1124003830.db2.gz MQARVOKPGYFUOS-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP CCOc1c(Cl)cc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247111264 1124588123 /nfs/dbraw/zinc/58/81/23/1124588123.db2.gz QPRLARFOGWMHQJ-DVOMOZLQSA-N 2 1 340.895 3.566 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247111264 1124588144 /nfs/dbraw/zinc/58/81/44/1124588144.db2.gz QPRLARFOGWMHQJ-DVOMOZLQSA-N 2 1 340.895 3.566 20 0 EHADMP COc1cccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CCCC2)c1 ZINC000248202141 1124646051 /nfs/dbraw/zinc/64/60/51/1124646051.db2.gz ZAFSMPVAGQAHAC-SQGPQFPESA-N 2 1 330.516 3.825 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249190420 1124745181 /nfs/dbraw/zinc/74/51/81/1124745181.db2.gz NPUOCHZIFPOIDT-PKOBYXMFSA-N 2 1 326.488 3.743 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000249190420 1124745184 /nfs/dbraw/zinc/74/51/84/1124745184.db2.gz NPUOCHZIFPOIDT-PKOBYXMFSA-N 2 1 326.488 3.743 20 0 EHADMP Cc1ccc(CC[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089595242 1124823563 /nfs/dbraw/zinc/82/35/63/1124823563.db2.gz LSFJIMCZNCEYJP-FQEVSTJZSA-N 2 1 344.543 3.941 20 0 EHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976323 1129361500 /nfs/dbraw/zinc/36/15/00/1129361500.db2.gz NBCXBSPVWBHUDH-VXKWHMMOSA-N 2 1 344.543 3.877 20 0 EHADMP Clc1ccccc1COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479942720 1129416963 /nfs/dbraw/zinc/41/69/63/1129416963.db2.gz UFCQOBGEXUAOHN-HDICACEKSA-N 2 1 342.870 3.570 20 0 EHADMP Clc1ccccc1COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479942720 1129416965 /nfs/dbraw/zinc/41/69/65/1129416965.db2.gz UFCQOBGEXUAOHN-HDICACEKSA-N 2 1 342.870 3.570 20 0 EHADMP C[C@@H](c1ccncc1)[NH+](C)CCCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000118401408 1129507929 /nfs/dbraw/zinc/50/79/29/1129507929.db2.gz SRBLSJQNXLELGR-ROUUACIJSA-N 2 1 326.488 3.943 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000673599778 1129609635 /nfs/dbraw/zinc/60/96/35/1129609635.db2.gz DITNWLWBDGRSIQ-CYBMUJFWSA-N 2 1 345.300 3.839 20 0 EHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(NCCc3ccc4ccccc4c3)cn12 ZINC001168734312 1129650847 /nfs/dbraw/zinc/65/08/47/1129650847.db2.gz YHLUGRZUCGYGQX-UHFFFAOYSA-N 2 1 342.446 3.829 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC000922808263 1129677388 /nfs/dbraw/zinc/67/73/88/1129677388.db2.gz WSYXSRSWXJWCQC-NRFANRHFSA-N 2 1 342.527 3.775 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](CC/C=C/c3ccc(Br)cc3)C2)C1 ZINC000428996039 1129681232 /nfs/dbraw/zinc/68/12/32/1129681232.db2.gz AQMZBSCVNQPJQH-BWDYHRDRSA-N 2 1 349.316 3.880 20 0 EHADMP C[NH+]1CC[C@]2(CC[N@H+](CC/C=C/c3ccc(Br)cc3)C2)C1 ZINC000428996039 1129681234 /nfs/dbraw/zinc/68/12/34/1129681234.db2.gz AQMZBSCVNQPJQH-BWDYHRDRSA-N 2 1 349.316 3.880 20 0 EHADMP CCO[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216295 1129765724 /nfs/dbraw/zinc/76/57/24/1129765724.db2.gz PHKVINURQOPSTD-IOMROCGXSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216295 1129765726 /nfs/dbraw/zinc/76/57/26/1129765726.db2.gz PHKVINURQOPSTD-IOMROCGXSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216295 1129765730 /nfs/dbraw/zinc/76/57/30/1129765730.db2.gz PHKVINURQOPSTD-IOMROCGXSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000625216295 1129765731 /nfs/dbraw/zinc/76/57/31/1129765731.db2.gz PHKVINURQOPSTD-IOMROCGXSA-N 2 1 330.516 3.786 20 0 EHADMP CCCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390870489 1129785399 /nfs/dbraw/zinc/78/53/99/1129785399.db2.gz OYPBWCKMRFLAIO-IHWFROFDSA-N 2 1 338.499 3.578 20 0 EHADMP CCCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390870489 1129785402 /nfs/dbraw/zinc/78/54/02/1129785402.db2.gz OYPBWCKMRFLAIO-IHWFROFDSA-N 2 1 338.499 3.578 20 0 EHADMP CCO[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402071 1129858147 /nfs/dbraw/zinc/85/81/47/1129858147.db2.gz CKRZOQRUYGASDB-LPHOPBHVSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402071 1129858151 /nfs/dbraw/zinc/85/81/51/1129858151.db2.gz CKRZOQRUYGASDB-LPHOPBHVSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402071 1129858157 /nfs/dbraw/zinc/85/81/57/1129858157.db2.gz CKRZOQRUYGASDB-LPHOPBHVSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000658146082 1130197912 /nfs/dbraw/zinc/19/79/12/1130197912.db2.gz USVAFIYRCGKFLS-GCJKJVERSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3c(C4CCC4)cnn3C)CC2)C1 ZINC000658269185 1130329295 /nfs/dbraw/zinc/32/92/95/1130329295.db2.gz TXACINLDPKYUMG-VQIMIIECSA-N 2 1 344.547 3.820 20 0 EHADMP C[N@H+]1CCCC[C@H]1CCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000675492374 1130412355 /nfs/dbraw/zinc/41/23/55/1130412355.db2.gz UMAVPVYFLLOZIP-XQQFMLRXSA-N 2 1 346.359 3.924 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000675739292 1130460456 /nfs/dbraw/zinc/46/04/56/1130460456.db2.gz XCMKWAAHTFIPKO-NOOOWODRSA-N 2 1 346.359 3.968 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000675739292 1130460460 /nfs/dbraw/zinc/46/04/60/1130460460.db2.gz XCMKWAAHTFIPKO-NOOOWODRSA-N 2 1 346.359 3.968 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@H](c2ccco2)C1)[NH+]1CC[C@H](c2ccco2)C1 ZINC000676252987 1130554164 /nfs/dbraw/zinc/55/41/64/1130554164.db2.gz VQBMHDCPMJFGOM-SQNIBIBYSA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@H](c2ccco2)C1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000676252987 1130554166 /nfs/dbraw/zinc/55/41/66/1130554166.db2.gz VQBMHDCPMJFGOM-SQNIBIBYSA-N 2 1 328.456 3.930 20 0 EHADMP C[C@H](CC[NH+]1CC[C@H](c2ccco2)C1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000676252987 1130554173 /nfs/dbraw/zinc/55/41/73/1130554173.db2.gz VQBMHDCPMJFGOM-SQNIBIBYSA-N 2 1 328.456 3.930 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157120 1130592922 /nfs/dbraw/zinc/59/29/22/1130592922.db2.gz FNDABSWQBRPAMV-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000347991169 1131112108 /nfs/dbraw/zinc/11/21/08/1131112108.db2.gz BQKAYWSXZRSYFD-OXQOHEQNSA-N 2 1 326.488 3.706 20 0 EHADMP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000347991166 1131112332 /nfs/dbraw/zinc/11/23/32/1131112332.db2.gz BQKAYWSXZRSYFD-OXJNMPFZSA-N 2 1 326.488 3.706 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886035 1131553502 /nfs/dbraw/zinc/55/35/02/1131553502.db2.gz AXMFOHGFPOVGFZ-JQFCIGGWSA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886035 1131553506 /nfs/dbraw/zinc/55/35/06/1131553506.db2.gz AXMFOHGFPOVGFZ-JQFCIGGWSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886035 1131553510 /nfs/dbraw/zinc/55/35/10/1131553510.db2.gz AXMFOHGFPOVGFZ-JQFCIGGWSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000740886035 1131553514 /nfs/dbraw/zinc/55/35/14/1131553514.db2.gz AXMFOHGFPOVGFZ-JQFCIGGWSA-N 2 1 344.421 3.543 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000741788025 1131649053 /nfs/dbraw/zinc/64/90/53/1131649053.db2.gz OAINYIFCVOPKCR-PZJWPPBQSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000741788025 1131649056 /nfs/dbraw/zinc/64/90/56/1131649056.db2.gz OAINYIFCVOPKCR-PZJWPPBQSA-N 2 1 330.516 3.616 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172469819 1131733928 /nfs/dbraw/zinc/73/39/28/1131733928.db2.gz USEUQWAVZQYDRY-ZJOUEHCJSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172469819 1131733935 /nfs/dbraw/zinc/73/39/35/1131733935.db2.gz USEUQWAVZQYDRY-ZJOUEHCJSA-N 2 1 332.532 3.938 20 0 EHADMP COc1cccc(C[N@@H+]([C@@H](C)CCOC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172446394 1131745742 /nfs/dbraw/zinc/74/57/42/1131745742.db2.gz ZDGCXYSTOBIBGO-IHPCNDPISA-N 2 1 348.531 3.971 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001204090899 1131792895 /nfs/dbraw/zinc/79/28/95/1131792895.db2.gz YVXRBOQICDCJRV-GLQYFDAESA-N 2 1 332.797 3.789 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172918525 1131904631 /nfs/dbraw/zinc/90/46/31/1131904631.db2.gz RVTLJZHDTNICMJ-ADAARDCZSA-N 2 1 328.500 3.729 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172920464 1131905915 /nfs/dbraw/zinc/90/59/15/1131905915.db2.gz RVTLJZHDTNICMJ-SSSFQFABSA-N 2 1 328.500 3.729 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389692 1131909316 /nfs/dbraw/zinc/90/93/16/1131909316.db2.gz GYJRVIHFFGFYRU-INIZCTEOSA-N 2 1 329.513 3.992 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389692 1131909321 /nfs/dbraw/zinc/90/93/21/1131909321.db2.gz GYJRVIHFFGFYRU-INIZCTEOSA-N 2 1 329.513 3.992 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389692 1131909326 /nfs/dbraw/zinc/90/93/26/1131909326.db2.gz GYJRVIHFFGFYRU-INIZCTEOSA-N 2 1 329.513 3.992 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001172949552 1131927434 /nfs/dbraw/zinc/92/74/34/1131927434.db2.gz HNXXXPMMWGIOHJ-CLAROIROSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001172949552 1131927439 /nfs/dbraw/zinc/92/74/39/1131927439.db2.gz HNXXXPMMWGIOHJ-CLAROIROSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001172949552 1131927444 /nfs/dbraw/zinc/92/74/44/1131927444.db2.gz HNXXXPMMWGIOHJ-CLAROIROSA-N 2 1 342.527 3.788 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCC(N)(c3ccccc3)CC2)CC1 ZINC001173107231 1131968853 /nfs/dbraw/zinc/96/88/53/1131968853.db2.gz YYMCOQNKNWJFIS-UHFFFAOYSA-N 2 1 329.532 3.589 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001173112938 1131969904 /nfs/dbraw/zinc/96/99/04/1131969904.db2.gz FFOSTLDIHKIJHI-XEVCZEQESA-N 2 1 328.500 3.844 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN3CCc4ccccc4[C@H]3C2)CC1 ZINC001173112972 1131970194 /nfs/dbraw/zinc/97/01/94/1131970194.db2.gz FUTHHOMSHOYBSG-QETWGEEDSA-N 2 1 341.543 3.554 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3ncccc3C)C2)CC1 ZINC001173113901 1131971721 /nfs/dbraw/zinc/97/17/21/1131971721.db2.gz OGIZCDNPMYBUOY-MHJFOBGBSA-N 2 1 345.531 3.886 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncsc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001173126275 1131975068 /nfs/dbraw/zinc/97/50/68/1131975068.db2.gz MUQMIZAYERJUEV-KBAYOESNSA-N 2 1 341.524 3.643 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncsc3C2)CC[N@H+]1Cc1ccccc1 ZINC001173126275 1131975076 /nfs/dbraw/zinc/97/50/76/1131975076.db2.gz MUQMIZAYERJUEV-KBAYOESNSA-N 2 1 341.524 3.643 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000743847700 1131984802 /nfs/dbraw/zinc/98/48/02/1131984802.db2.gz GLQVOYYDOXFCKI-JAXLGGSGSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000743847700 1131984810 /nfs/dbraw/zinc/98/48/10/1131984810.db2.gz GLQVOYYDOXFCKI-JAXLGGSGSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000743847700 1131984817 /nfs/dbraw/zinc/98/48/17/1131984817.db2.gz GLQVOYYDOXFCKI-JAXLGGSGSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000743847700 1131984824 /nfs/dbraw/zinc/98/48/24/1131984824.db2.gz GLQVOYYDOXFCKI-JAXLGGSGSA-N 2 1 344.543 3.923 20 0 EHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000743859059 1131989467 /nfs/dbraw/zinc/98/94/67/1131989467.db2.gz MQACLFAKJXMWFL-AVRDEDQJSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000743859059 1131989471 /nfs/dbraw/zinc/98/94/71/1131989471.db2.gz MQACLFAKJXMWFL-AVRDEDQJSA-N 2 1 338.495 3.803 20 0 EHADMP CCc1ccc(C[C@H](C)[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)cc1 ZINC001173243990 1132014739 /nfs/dbraw/zinc/01/47/39/1132014739.db2.gz RAIBBWXSSYBTAV-PGRDOPGGSA-N 2 1 344.543 3.755 20 0 EHADMP COC(=O)CCCC[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445969 1132078798 /nfs/dbraw/zinc/07/87/98/1132078798.db2.gz QWRGEVLQIHOOCS-IHPCNDPISA-N 2 1 346.515 3.880 20 0 EHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173609585 1132106190 /nfs/dbraw/zinc/10/61/90/1132106190.db2.gz XYCJVNFVSHTKNO-YWKGXEQOSA-N 2 1 348.531 3.623 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632634 1132110471 /nfs/dbraw/zinc/11/04/71/1132110471.db2.gz IBAVTHVLHXJEJX-XLAORIBOSA-N 2 1 338.536 3.726 20 0 EHADMP CC[NH+](CC)CCn1cc(Nc2ccc([NH+](CC)CC)cc2)cn1 ZINC001203256633 1132280414 /nfs/dbraw/zinc/28/04/14/1132280414.db2.gz QBXINDVDWGTLCM-UHFFFAOYSA-N 2 1 329.492 3.815 20 0 EHADMP C[C@H]1CSCC[N@@H+](CCCCC[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190417167 1132453869 /nfs/dbraw/zinc/45/38/69/1132453869.db2.gz ZIQINFVOOULARJ-CALCHBBNSA-N 2 1 330.607 3.527 20 0 EHADMP C[C@H]1CSCC[NH+](CCCCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000190417167 1132453871 /nfs/dbraw/zinc/45/38/71/1132453871.db2.gz ZIQINFVOOULARJ-CALCHBBNSA-N 2 1 330.607 3.527 20 0 EHADMP C[C@H]1CSCC[NH+](CCCCC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000190417167 1132453875 /nfs/dbraw/zinc/45/38/75/1132453875.db2.gz ZIQINFVOOULARJ-CALCHBBNSA-N 2 1 330.607 3.527 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4cnccc43)C2)cc1 ZINC000192931044 1132477691 /nfs/dbraw/zinc/47/76/91/1132477691.db2.gz FBEPBKTYXQVGLF-IBGZPJMESA-N 2 1 331.463 3.847 20 0 EHADMP c1ccc(C[NH+](CCC[NH2+][C@@H]2CCCOC2)Cc2ccccc2)cc1 ZINC000390595976 1132515217 /nfs/dbraw/zinc/51/52/17/1132515217.db2.gz VTUWPRSFRAQHSU-JOCHJYFZSA-N 2 1 338.495 3.848 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001175071080 1132558980 /nfs/dbraw/zinc/55/89/80/1132558980.db2.gz YZXVBDBSSUWFKG-RRQGHBQHSA-N 2 1 342.405 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175071080 1132558984 /nfs/dbraw/zinc/55/89/84/1132558984.db2.gz YZXVBDBSSUWFKG-RRQGHBQHSA-N 2 1 342.405 3.920 20 0 EHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175071080 1132558989 /nfs/dbraw/zinc/55/89/89/1132558989.db2.gz YZXVBDBSSUWFKG-RRQGHBQHSA-N 2 1 342.405 3.920 20 0 EHADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351357 1132645840 /nfs/dbraw/zinc/64/58/40/1132645840.db2.gz LDLKWAPIIFTHFF-LJQANCHMSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351357 1132645847 /nfs/dbraw/zinc/64/58/47/1132645847.db2.gz LDLKWAPIIFTHFF-LJQANCHMSA-N 2 1 346.515 3.660 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cccc3OC(F)(F)F)C2 ZINC001169101194 1132655854 /nfs/dbraw/zinc/65/58/54/1132655854.db2.gz OZRZUWXFAUCYNS-ZWUHOBOKSA-N 2 1 340.389 3.787 20 0 EHADMP COc1cccc2c1CC[C@@H](CCC[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169119364 1132663826 /nfs/dbraw/zinc/66/38/26/1132663826.db2.gz RXELAMFSYWGHTJ-RSPOEFSDSA-N 2 1 342.527 3.795 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(Cl)cc3)CC1)C2 ZINC001169124436 1132665439 /nfs/dbraw/zinc/66/54/39/1132665439.db2.gz CNJXWBGSGDWHDG-BJWYYQGGSA-N 2 1 334.891 3.808 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444649 1132672146 /nfs/dbraw/zinc/67/21/46/1132672146.db2.gz LTNZAFYXFNWIQN-XLIONFOSSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444649 1132672147 /nfs/dbraw/zinc/67/21/47/1132672147.db2.gz LTNZAFYXFNWIQN-XLIONFOSSA-N 2 1 330.516 3.779 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444649 1132672148 /nfs/dbraw/zinc/67/21/48/1132672148.db2.gz LTNZAFYXFNWIQN-XLIONFOSSA-N 2 1 330.516 3.779 20 0 EHADMP CCN1CCC([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241099 1132707458 /nfs/dbraw/zinc/70/74/58/1132707458.db2.gz GVZJUCJPOWVLFV-MXVIHJGJSA-N 2 1 329.532 3.551 20 0 EHADMP CC[NH+]1CCC([N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241099 1132707466 /nfs/dbraw/zinc/70/74/66/1132707466.db2.gz GVZJUCJPOWVLFV-MXVIHJGJSA-N 3 1 329.532 3.551 20 0 EHADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241099 1132707468 /nfs/dbraw/zinc/70/74/68/1132707468.db2.gz GVZJUCJPOWVLFV-MXVIHJGJSA-N 3 1 329.532 3.551 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)CC1 ZINC001169255951 1132711040 /nfs/dbraw/zinc/71/10/40/1132711040.db2.gz WHSJRPNJFVCQLV-FCHUYYIVSA-N 2 1 342.527 3.583 20 0 EHADMP CC[NH+]1CCC([N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)CC1 ZINC001169255951 1132711047 /nfs/dbraw/zinc/71/10/47/1132711047.db2.gz WHSJRPNJFVCQLV-FCHUYYIVSA-N 2 1 342.527 3.583 20 0 EHADMP C[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001175768547 1132761635 /nfs/dbraw/zinc/76/16/35/1132761635.db2.gz MHILEDXWDWRVSP-INIZCTEOSA-N 2 1 345.874 3.715 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)cc1F ZINC001206025599 1132903072 /nfs/dbraw/zinc/90/30/72/1132903072.db2.gz OFOWHWZXZVOIGU-OLZOCXBDSA-N 2 1 343.284 3.703 20 0 EHADMP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1F ZINC001177669156 1133090871 /nfs/dbraw/zinc/09/08/71/1133090871.db2.gz RVGSYRRBVFXBLV-LJQANCHMSA-N 2 1 326.459 3.788 20 0 EHADMP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1F ZINC001177669156 1133090878 /nfs/dbraw/zinc/09/08/78/1133090878.db2.gz RVGSYRRBVFXBLV-LJQANCHMSA-N 2 1 326.459 3.788 20 0 EHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC001177821664 1133100581 /nfs/dbraw/zinc/10/05/81/1133100581.db2.gz BTQKBOMSFHFSEY-HXUWFJFHSA-N 2 1 342.531 3.945 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(OCCC)c1 ZINC001177794806 1133103917 /nfs/dbraw/zinc/10/39/17/1133103917.db2.gz HTKHRZBCYZVXDV-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(OCCC)c1 ZINC001177794806 1133103921 /nfs/dbraw/zinc/10/39/21/1133103921.db2.gz HTKHRZBCYZVXDV-KRWDZBQOSA-N 2 1 334.504 3.696 20 0 EHADMP CCN1CCC([N@@H+](C)Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000768232437 1133115472 /nfs/dbraw/zinc/11/54/72/1133115472.db2.gz ACWSCANHGCZSQQ-UHFFFAOYSA-N 2 1 332.517 3.533 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000768232437 1133115475 /nfs/dbraw/zinc/11/54/75/1133115475.db2.gz ACWSCANHGCZSQQ-UHFFFAOYSA-N 2 1 332.517 3.533 20 0 EHADMP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1COC2 ZINC000769314108 1133260011 /nfs/dbraw/zinc/26/00/11/1133260011.db2.gz DQGCLEZISKGZQH-IBGZPJMESA-N 2 1 328.500 3.805 20 0 EHADMP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1COC2 ZINC000769314108 1133260017 /nfs/dbraw/zinc/26/00/17/1133260017.db2.gz DQGCLEZISKGZQH-IBGZPJMESA-N 2 1 328.500 3.805 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001179690133 1133271145 /nfs/dbraw/zinc/27/11/45/1133271145.db2.gz AJDASDAYBFDHHM-PMACEKPBSA-N 2 1 332.532 3.675 20 0 EHADMP Cc1c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484832 1133289670 /nfs/dbraw/zinc/28/96/70/1133289670.db2.gz MEPQOVCEJGDZIP-ABAIWWIYSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484832 1133289674 /nfs/dbraw/zinc/28/96/74/1133289674.db2.gz MEPQOVCEJGDZIP-ABAIWWIYSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484832 1133289678 /nfs/dbraw/zinc/28/96/78/1133289678.db2.gz MEPQOVCEJGDZIP-ABAIWWIYSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484832 1133289682 /nfs/dbraw/zinc/28/96/82/1133289682.db2.gz MEPQOVCEJGDZIP-ABAIWWIYSA-N 2 1 332.517 3.531 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000769683096 1133324190 /nfs/dbraw/zinc/32/41/90/1133324190.db2.gz VKLBRFOWLXRBIB-IKGGRYGDSA-N 2 1 341.540 3.532 20 0 EHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001204269175 1133372198 /nfs/dbraw/zinc/37/21/98/1133372198.db2.gz VNFJNHUXGTZTQW-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC001204270586 1133383823 /nfs/dbraw/zinc/38/38/23/1133383823.db2.gz WAUMRJWIIQMPHH-UHFFFAOYSA-N 2 1 347.890 3.698 20 0 EHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C/C(Cl)=C\Cl ZINC000771452397 1133555144 /nfs/dbraw/zinc/55/51/44/1133555144.db2.gz OUVRSZRCWHSOLP-NTCAYCPXSA-N 2 1 328.287 3.939 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C/C(Cl)=C\Cl ZINC000771452397 1133555149 /nfs/dbraw/zinc/55/51/49/1133555149.db2.gz OUVRSZRCWHSOLP-NTCAYCPXSA-N 2 1 328.287 3.939 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1)CC1CC1 ZINC000771474767 1133559855 /nfs/dbraw/zinc/55/98/55/1133559855.db2.gz GEVSPFUSKGGNGD-OAQYLSRUSA-N 2 1 348.506 3.693 20 0 EHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC001183960092 1133881966 /nfs/dbraw/zinc/88/19/66/1133881966.db2.gz VQOFBLUQBVVURE-OXJNMPFZSA-N 2 1 328.500 3.754 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184387971 1133933999 /nfs/dbraw/zinc/93/39/99/1133933999.db2.gz ODICGIKABZTESN-DNNBLBMLSA-N 2 1 326.406 3.566 20 0 EHADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145585 1134474704 /nfs/dbraw/zinc/47/47/04/1134474704.db2.gz UQBUWCHVQFTGQO-OHNKGQGDSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145585 1134474707 /nfs/dbraw/zinc/47/47/07/1134474707.db2.gz UQBUWCHVQFTGQO-OHNKGQGDSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145585 1134474710 /nfs/dbraw/zinc/47/47/10/1134474710.db2.gz UQBUWCHVQFTGQO-OHNKGQGDSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001170145585 1134474714 /nfs/dbraw/zinc/47/47/14/1134474714.db2.gz UQBUWCHVQFTGQO-OHNKGQGDSA-N 2 1 327.516 3.803 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775376412 1134686499 /nfs/dbraw/zinc/68/64/99/1134686499.db2.gz WCEPBSNDMUBCJN-WCXIOVBPSA-N 2 1 328.591 3.610 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000775385079 1134696029 /nfs/dbraw/zinc/69/60/29/1134696029.db2.gz IWPPFZGIIIVXKV-FGTMMUONSA-N 2 1 336.570 3.608 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001170246417 1134722909 /nfs/dbraw/zinc/72/29/09/1134722909.db2.gz UMIQQIZDSVUBJU-GXRSIYKFSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001170246417 1134722914 /nfs/dbraw/zinc/72/29/14/1134722914.db2.gz UMIQQIZDSVUBJU-GXRSIYKFSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001170246417 1134722917 /nfs/dbraw/zinc/72/29/17/1134722917.db2.gz UMIQQIZDSVUBJU-GXRSIYKFSA-N 2 1 342.527 3.788 20 0 EHADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)s1 ZINC001191122482 1134797104 /nfs/dbraw/zinc/79/71/04/1134797104.db2.gz SBTPDCDQOPUVAZ-GOSISDBHSA-N 2 1 349.588 3.691 20 0 EHADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)s1 ZINC001191122482 1134797111 /nfs/dbraw/zinc/79/71/11/1134797111.db2.gz SBTPDCDQOPUVAZ-GOSISDBHSA-N 2 1 349.588 3.691 20 0 EHADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790805 1134923648 /nfs/dbraw/zinc/92/36/48/1134923648.db2.gz ZLDHXARICRHNJV-GHTZIAJQSA-N 2 1 330.516 3.919 20 0 EHADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191790805 1134923653 /nfs/dbraw/zinc/92/36/53/1134923653.db2.gz ZLDHXARICRHNJV-GHTZIAJQSA-N 2 1 330.516 3.919 20 0 EHADMP Cc1cc([C@H](C)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793535958 1134950739 /nfs/dbraw/zinc/95/07/39/1134950739.db2.gz UKTDUNHFMFNPTN-ONFYXGJMSA-N 2 1 340.515 3.536 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793535958 1134950752 /nfs/dbraw/zinc/95/07/52/1134950752.db2.gz UKTDUNHFMFNPTN-ONFYXGJMSA-N 2 1 340.515 3.536 20 0 EHADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205602506 1135025741 /nfs/dbraw/zinc/02/57/41/1135025741.db2.gz IZFUREKFCDHMAF-GDBMZVCRSA-N 2 1 339.321 3.689 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205626524 1135119726 /nfs/dbraw/zinc/11/97/26/1135119726.db2.gz GXFPHJYMZUZGGT-AAEUAGOBSA-N 2 1 345.712 3.909 20 0 EHADMP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205652066 1135226088 /nfs/dbraw/zinc/22/60/88/1135226088.db2.gz NVNGOSLGJDWOKT-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205652066 1135226091 /nfs/dbraw/zinc/22/60/91/1135226091.db2.gz NVNGOSLGJDWOKT-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000806129398 1135396612 /nfs/dbraw/zinc/39/66/12/1135396612.db2.gz FUPGFOQZZRWOQO-SFHVURJKSA-N 2 1 341.886 3.760 20 0 EHADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000806129398 1135396619 /nfs/dbraw/zinc/39/66/19/1135396619.db2.gz FUPGFOQZZRWOQO-SFHVURJKSA-N 2 1 341.886 3.760 20 0 EHADMP CC(C)CC(=O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000828525238 1135504807 /nfs/dbraw/zinc/50/48/07/1135504807.db2.gz LMOZWYZYNMRBOO-OAQYLSRUSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)CC(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000828525238 1135504812 /nfs/dbraw/zinc/50/48/12/1135504812.db2.gz LMOZWYZYNMRBOO-OAQYLSRUSA-N 2 1 328.500 3.590 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC2(Br)CC2)CC1 ZINC001196937082 1135631530 /nfs/dbraw/zinc/63/15/30/1135631530.db2.gz WMOZYVFUZWJBJY-HNNXBMFYSA-N 2 1 329.326 3.500 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC2(Br)CC2)CC1 ZINC001196937082 1135631533 /nfs/dbraw/zinc/63/15/33/1135631533.db2.gz WMOZYVFUZWJBJY-HNNXBMFYSA-N 2 1 329.326 3.500 20 0 EHADMP CCO[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961418 1135634747 /nfs/dbraw/zinc/63/47/47/1135634747.db2.gz JDHZBMYBIUISCI-FDFHNCONSA-N 2 1 342.527 3.646 20 0 EHADMP CCO[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961418 1135634752 /nfs/dbraw/zinc/63/47/52/1135634752.db2.gz JDHZBMYBIUISCI-FDFHNCONSA-N 2 1 342.527 3.646 20 0 EHADMP CCO[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961418 1135634754 /nfs/dbraw/zinc/63/47/54/1135634754.db2.gz JDHZBMYBIUISCI-FDFHNCONSA-N 2 1 342.527 3.646 20 0 EHADMP CCO[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961418 1135634758 /nfs/dbraw/zinc/63/47/58/1135634758.db2.gz JDHZBMYBIUISCI-FDFHNCONSA-N 2 1 342.527 3.646 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1c[nH]c(=O)c2ccccc12 ZINC001197285160 1135673520 /nfs/dbraw/zinc/67/35/20/1135673520.db2.gz OQJSDDQAULIXFV-UHFFFAOYSA-N 2 1 327.472 3.638 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCCc2c3ncn(C)c3ccc21 ZINC001198676746 1135846372 /nfs/dbraw/zinc/84/63/72/1135846372.db2.gz YQKPIRBNXPVQIB-INIZCTEOSA-N 2 1 326.488 3.589 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001198676746 1135846375 /nfs/dbraw/zinc/84/63/75/1135846375.db2.gz YQKPIRBNXPVQIB-INIZCTEOSA-N 2 1 326.488 3.589 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001198676746 1135846377 /nfs/dbraw/zinc/84/63/77/1135846377.db2.gz YQKPIRBNXPVQIB-INIZCTEOSA-N 2 1 326.488 3.589 20 0 EHADMP C[NH+](C)C1(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001199028109 1135877546 /nfs/dbraw/zinc/87/75/46/1135877546.db2.gz PQCAKBMFUCIVDJ-UHFFFAOYSA-N 2 1 331.548 3.609 20 0 EHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC001199383629 1135902473 /nfs/dbraw/zinc/90/24/73/1135902473.db2.gz CIBKRQKVKLUQOQ-IAGOWNOFSA-N 2 1 335.511 3.739 20 0 EHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC001199383629 1135902475 /nfs/dbraw/zinc/90/24/75/1135902475.db2.gz CIBKRQKVKLUQOQ-IAGOWNOFSA-N 2 1 335.511 3.739 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001199421040 1135903062 /nfs/dbraw/zinc/90/30/62/1135903062.db2.gz SPPXIXHPEAYKMT-XLIONFOSSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001199421042 1135903102 /nfs/dbraw/zinc/90/31/02/1135903102.db2.gz SPPXIXHPEAYKMT-YLJYHZDGSA-N 2 1 329.532 3.674 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1F ZINC001199666539 1135918408 /nfs/dbraw/zinc/91/84/08/1135918408.db2.gz BZLCXLKUUJOFPO-LPHOPBHVSA-N 2 1 331.435 3.613 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810087105 1135919327 /nfs/dbraw/zinc/91/93/27/1135919327.db2.gz NQTQLBXAHNKDTH-FQEVSTJZSA-N 2 1 349.494 3.679 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000105442568 1135947987 /nfs/dbraw/zinc/94/79/87/1135947987.db2.gz YXZUVYKVYRWQAM-INIZCTEOSA-N 2 1 327.472 3.939 20 0 EHADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201503355 1136029524 /nfs/dbraw/zinc/02/95/24/1136029524.db2.gz OOLWENQNQWTZCH-QUCCMNQESA-N 2 1 330.516 3.788 20 0 EHADMP CCC[C@@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201541143 1136033723 /nfs/dbraw/zinc/03/37/23/1136033723.db2.gz DAHOSPGEHYHAAP-QUCCMNQESA-N 2 1 345.531 3.573 20 0 EHADMP CCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001201731955 1136061546 /nfs/dbraw/zinc/06/15/46/1136061546.db2.gz YVDYGZAHVJQCTR-UHFFFAOYSA-N 2 1 346.515 3.552 20 0 EHADMP CCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001201731955 1136061550 /nfs/dbraw/zinc/06/15/50/1136061550.db2.gz YVDYGZAHVJQCTR-UHFFFAOYSA-N 2 1 346.515 3.552 20 0 EHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202242123 1136119283 /nfs/dbraw/zinc/11/92/83/1136119283.db2.gz KRMQXJMGWRQOAK-UHFFFAOYSA-N 2 1 344.478 3.531 20 0 EHADMP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000850402440 1136249908 /nfs/dbraw/zinc/24/99/08/1136249908.db2.gz KNLYDOCDNRYOCQ-LJQANCHMSA-N 2 1 339.458 3.613 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2SCCS2)C3)cc1 ZINC000850562248 1136286594 /nfs/dbraw/zinc/28/65/94/1136286594.db2.gz YPRCBCODWWDMLT-BJWYYQGGSA-N 2 1 334.554 3.578 20 0 EHADMP CCCCCC[N@@H+](C)CC(=O)Nc1cccc2c1C[NH+](C1CC1)C2 ZINC001137992964 1136356571 /nfs/dbraw/zinc/35/65/71/1136356571.db2.gz WTTBWNBXSHLFHZ-UHFFFAOYSA-N 2 1 329.488 3.615 20 0 EHADMP CCCCCC[NH+](C)CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001137992964 1136356575 /nfs/dbraw/zinc/35/65/75/1136356575.db2.gz WTTBWNBXSHLFHZ-UHFFFAOYSA-N 2 1 329.488 3.615 20 0 EHADMP CCCCCC[NH+](C)CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001137992964 1136356579 /nfs/dbraw/zinc/35/65/79/1136356579.db2.gz WTTBWNBXSHLFHZ-UHFFFAOYSA-N 2 1 329.488 3.615 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000813880961 1136372883 /nfs/dbraw/zinc/37/28/83/1136372883.db2.gz JYPPGLHRNJWRNB-VWWARQNISA-N 2 1 328.500 3.587 20 0 EHADMP COC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000813881894 1136372987 /nfs/dbraw/zinc/37/29/87/1136372987.db2.gz XJDAWMIUDXFSEN-VTHDOGFWSA-N 2 1 330.516 3.833 20 0 EHADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3[NH3+])C[C@@H]21 ZINC001170730175 1136410985 /nfs/dbraw/zinc/41/09/85/1136410985.db2.gz IMZWEETUCUHJQG-DONUPDRASA-N 2 1 344.502 3.998 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@@H]1C ZINC000338950154 1136478556 /nfs/dbraw/zinc/47/85/56/1136478556.db2.gz WKQRZDRTYATHIT-PKOBYXMFSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@@H]1C ZINC000338950154 1136478562 /nfs/dbraw/zinc/47/85/62/1136478562.db2.gz WKQRZDRTYATHIT-PKOBYXMFSA-N 2 1 340.515 3.700 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2-c2ccnn2C)C[C@@H]1C ZINC000338950154 1136478564 /nfs/dbraw/zinc/47/85/64/1136478564.db2.gz WKQRZDRTYATHIT-PKOBYXMFSA-N 2 1 340.515 3.700 20 0 EHADMP [NH3+]CCCCCCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000852759437 1136483808 /nfs/dbraw/zinc/48/38/08/1136483808.db2.gz ONHSTVSNISECQV-UHFFFAOYSA-N 2 1 331.323 3.778 20 0 EHADMP [NH3+]CCCCCCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000852759437 1136483809 /nfs/dbraw/zinc/48/38/09/1136483809.db2.gz ONHSTVSNISECQV-UHFFFAOYSA-N 2 1 331.323 3.778 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239931 1136520865 /nfs/dbraw/zinc/52/08/65/1136520865.db2.gz KLEMMBYVVLNATF-XLIONFOSSA-N 2 1 328.500 3.784 20 0 EHADMP COCc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000853241101 1136521418 /nfs/dbraw/zinc/52/14/18/1136521418.db2.gz ULMJGGPMMZISQQ-WMZOPIPTSA-N 2 1 346.515 3.614 20 0 EHADMP C[C@@H]1[C@@H](OC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468823 1136720121 /nfs/dbraw/zinc/72/01/21/1136720121.db2.gz NJUBEIZDQTWOFX-UZLBHIALSA-N 2 1 349.434 3.544 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856551482 1136793776 /nfs/dbraw/zinc/79/37/76/1136793776.db2.gz SMCZLEHUXIGGAM-LVCYWYKZSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856551482 1136793780 /nfs/dbraw/zinc/79/37/80/1136793780.db2.gz SMCZLEHUXIGGAM-LVCYWYKZSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856551482 1136793784 /nfs/dbraw/zinc/79/37/84/1136793784.db2.gz SMCZLEHUXIGGAM-LVCYWYKZSA-N 2 1 345.531 3.813 20 0 EHADMP CC(C)CCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559459 1136794860 /nfs/dbraw/zinc/79/48/60/1136794860.db2.gz OOEDWCSPPUPLRI-HXUWFJFHSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559459 1136794863 /nfs/dbraw/zinc/79/48/63/1136794863.db2.gz OOEDWCSPPUPLRI-HXUWFJFHSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559459 1136794865 /nfs/dbraw/zinc/79/48/65/1136794865.db2.gz OOEDWCSPPUPLRI-HXUWFJFHSA-N 2 1 333.520 3.811 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3CCCC3)C2)ccn1 ZINC000856590822 1136797529 /nfs/dbraw/zinc/79/75/29/1136797529.db2.gz BGIGGZBEDIBYGP-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CCCC3)C2)ccn1 ZINC000856590822 1136797531 /nfs/dbraw/zinc/79/75/31/1136797531.db2.gz BGIGGZBEDIBYGP-HXUWFJFHSA-N 2 1 331.504 3.567 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC34CCC(CC3)C4)C2)ccn1 ZINC000856584928 1136797771 /nfs/dbraw/zinc/79/77/71/1136797771.db2.gz UWNXPRFXHWTINJ-TWMPVWRBSA-N 2 1 343.515 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC34CCC(CC3)C4)C2)ccn1 ZINC000856584928 1136797772 /nfs/dbraw/zinc/79/77/72/1136797772.db2.gz UWNXPRFXHWTINJ-TWMPVWRBSA-N 2 1 343.515 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)ccn1 ZINC000856584928 1136797775 /nfs/dbraw/zinc/79/77/75/1136797775.db2.gz UWNXPRFXHWTINJ-TWMPVWRBSA-N 2 1 343.515 3.567 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCCCC2=O)cc1 ZINC000817932021 1136847061 /nfs/dbraw/zinc/84/70/61/1136847061.db2.gz PJLOOQGPPKOJAH-JHVJFLLYSA-N 2 1 349.478 3.999 20 0 EHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Br)nc1 ZINC000817943973 1136850009 /nfs/dbraw/zinc/85/00/09/1136850009.db2.gz UEPJGSZQHJTSJT-GFCCVEGCSA-N 2 1 326.282 3.546 20 0 EHADMP COc1ccc([C@H](C)NCCC[NH2+]C(C)C)cc1C[NH+]1CCCCC1 ZINC000817952667 1136850963 /nfs/dbraw/zinc/85/09/63/1136850963.db2.gz HQHREHAZYSHCRE-SFHVURJKSA-N 2 1 347.547 3.720 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818985915 1136897033 /nfs/dbraw/zinc/89/70/33/1136897033.db2.gz ZUNARQNZOGTLQC-GUYCJALGSA-N 2 1 345.314 3.737 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000819189263 1136921678 /nfs/dbraw/zinc/92/16/78/1136921678.db2.gz FWPLWJNDQIDMOW-UZKOGDIHSA-N 2 1 338.495 3.610 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc[nH+]c(CO)c2)C1 ZINC000858351525 1136960627 /nfs/dbraw/zinc/96/06/27/1136960627.db2.gz QPSJSCUHSJQBFF-CALCHBBNSA-N 2 1 339.483 3.664 20 0 EHADMP CC1CC[NH+](Cc2ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc2)CC1 ZINC001136279781 1136966080 /nfs/dbraw/zinc/96/60/80/1136966080.db2.gz QYKCZKYJMLLLPN-UHFFFAOYSA-N 2 1 345.531 3.835 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664620 1137068878 /nfs/dbraw/zinc/06/88/78/1137068878.db2.gz UXZHLQJJFGUSCJ-MRRJBJDNSA-N 2 1 345.314 3.831 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664620 1137068879 /nfs/dbraw/zinc/06/88/79/1137068879.db2.gz UXZHLQJJFGUSCJ-MRRJBJDNSA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664620 1137068881 /nfs/dbraw/zinc/06/88/81/1137068881.db2.gz UXZHLQJJFGUSCJ-MRRJBJDNSA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664620 1137068883 /nfs/dbraw/zinc/06/88/83/1137068883.db2.gz UXZHLQJJFGUSCJ-MRRJBJDNSA-N 2 1 345.314 3.831 20 0 EHADMP CC[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000823555252 1137105640 /nfs/dbraw/zinc/10/56/40/1137105640.db2.gz RRIMHVVLEMHYBR-PZJWPPBQSA-N 2 1 345.531 3.834 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862273930 1137136470 /nfs/dbraw/zinc/13/64/70/1137136470.db2.gz UAIMAXWIDBDHMC-UHFFFAOYSA-N 2 1 327.447 3.592 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066021 1137152021 /nfs/dbraw/zinc/15/20/21/1137152021.db2.gz FRWWDIZBYMXRHA-CABCVRRESA-N 2 1 327.299 3.925 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000339065269 1137207709 /nfs/dbraw/zinc/20/77/09/1137207709.db2.gz DSDQMWQRMTUQKH-JQHSSLGASA-N 2 1 332.488 3.761 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000339065268 1137207817 /nfs/dbraw/zinc/20/78/17/1137207817.db2.gz DSDQMWQRMTUQKH-CGTJXYLNSA-N 2 1 332.488 3.761 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339066013 1137216744 /nfs/dbraw/zinc/21/67/44/1137216744.db2.gz DQGNEXMEGZNHQC-CGTJXYLNSA-N 2 1 334.529 3.703 20 0 EHADMP COc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001143976930 1137223229 /nfs/dbraw/zinc/22/32/29/1137223229.db2.gz QXBOWUICLSQMAL-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP COc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001143976930 1137223231 /nfs/dbraw/zinc/22/32/31/1137223231.db2.gz QXBOWUICLSQMAL-UHFFFAOYSA-N 2 1 326.431 3.526 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188379 1137251436 /nfs/dbraw/zinc/25/14/36/1137251436.db2.gz YIQKPSBWTMBOHQ-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188379 1137251437 /nfs/dbraw/zinc/25/14/37/1137251437.db2.gz YIQKPSBWTMBOHQ-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188379 1137251439 /nfs/dbraw/zinc/25/14/39/1137251439.db2.gz YIQKPSBWTMBOHQ-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188379 1137251441 /nfs/dbraw/zinc/25/14/41/1137251441.db2.gz YIQKPSBWTMBOHQ-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188378 1137251455 /nfs/dbraw/zinc/25/14/55/1137251455.db2.gz YIQKPSBWTMBOHQ-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188378 1137251456 /nfs/dbraw/zinc/25/14/56/1137251456.db2.gz YIQKPSBWTMBOHQ-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188378 1137251457 /nfs/dbraw/zinc/25/14/57/1137251457.db2.gz YIQKPSBWTMBOHQ-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP c1cc2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144188378 1137251458 /nfs/dbraw/zinc/25/14/58/1137251458.db2.gz YIQKPSBWTMBOHQ-VQTJNVASSA-N 2 1 346.478 3.517 20 0 EHADMP CC[N@@H+](CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000846024180 1137326938 /nfs/dbraw/zinc/32/69/38/1137326938.db2.gz ZQPJAMACAZDIAL-ZBFHGGJFSA-N 2 1 336.442 3.731 20 0 EHADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866267126 1137340799 /nfs/dbraw/zinc/34/07/99/1137340799.db2.gz XUFXPBQQFSFAMJ-MFMILTCTSA-N 2 1 346.490 3.682 20 0 EHADMP Cc1cccc(C[C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000866283027 1137342603 /nfs/dbraw/zinc/34/26/03/1137342603.db2.gz ULOFGYLWXJNDNW-INIZCTEOSA-N 2 1 338.499 3.591 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)cc1 ZINC000866426008 1137353905 /nfs/dbraw/zinc/35/39/05/1137353905.db2.gz QNGZIGXZBZKEMI-CVEARBPZSA-N 2 1 343.471 3.621 20 0 EHADMP Fc1cc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000866472531 1137357452 /nfs/dbraw/zinc/35/74/52/1137357452.db2.gz ATKIAFBZUIUTOC-REPLKXPHSA-N 2 1 325.431 3.506 20 0 EHADMP Fc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000866472531 1137357454 /nfs/dbraw/zinc/35/74/54/1137357454.db2.gz ATKIAFBZUIUTOC-REPLKXPHSA-N 2 1 325.431 3.506 20 0 EHADMP Fc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000866472531 1137357456 /nfs/dbraw/zinc/35/74/56/1137357456.db2.gz ATKIAFBZUIUTOC-REPLKXPHSA-N 2 1 325.431 3.506 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000846853656 1137372034 /nfs/dbraw/zinc/37/20/34/1137372034.db2.gz GUVBSNKJHDJYSI-JSGCOSHPSA-N 2 1 325.859 3.617 20 0 EHADMP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000846853656 1137372036 /nfs/dbraw/zinc/37/20/36/1137372036.db2.gz GUVBSNKJHDJYSI-JSGCOSHPSA-N 2 1 325.859 3.617 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702980 1137374466 /nfs/dbraw/zinc/37/44/66/1137374466.db2.gz FXGRHJQKIIBSBY-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702980 1137374467 /nfs/dbraw/zinc/37/44/67/1137374467.db2.gz FXGRHJQKIIBSBY-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)CC2 ZINC001171287197 1137395418 /nfs/dbraw/zinc/39/54/18/1137395418.db2.gz CYLVORXLDZUAAW-KKXDTOCCSA-N 2 1 336.907 3.668 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282744646 1137444854 /nfs/dbraw/zinc/44/48/54/1137444854.db2.gz NKOWDZDYJITKKF-PMXSJFBMSA-N 2 1 330.516 3.692 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@@H](C)C1 ZINC000339095013 1137467430 /nfs/dbraw/zinc/46/74/30/1137467430.db2.gz CTGSYGXWTZCWJT-UWJYYQICSA-N 2 1 347.547 3.740 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@@H](C)C1 ZINC000339095013 1137467432 /nfs/dbraw/zinc/46/74/32/1137467432.db2.gz CTGSYGXWTZCWJT-UWJYYQICSA-N 2 1 347.547 3.740 20 0 EHADMP CCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000716682876 1137488464 /nfs/dbraw/zinc/48/84/64/1137488464.db2.gz QOVPGKBDMUAXBU-HBMCJLEFSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001171677881 1137503562 /nfs/dbraw/zinc/50/35/62/1137503562.db2.gz KQRUCYWLJRNGMZ-VAMGGRTRSA-N 2 1 325.456 3.576 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001171677881 1137503563 /nfs/dbraw/zinc/50/35/63/1137503563.db2.gz KQRUCYWLJRNGMZ-VAMGGRTRSA-N 2 1 325.456 3.576 20 0 EHADMP C[C@H]1C[C@H](n2cc(CC[NH3+])c3cc(O)ccc32)C[N@H+]1Cc1ccccc1 ZINC001171727705 1137506641 /nfs/dbraw/zinc/50/66/41/1137506641.db2.gz FZLNZQLFOVNTHL-LPHOPBHVSA-N 2 1 349.478 3.684 20 0 EHADMP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3cc(O)ccc32)C[N@H+]1Cc1ccccc1 ZINC001171727704 1137506737 /nfs/dbraw/zinc/50/67/37/1137506737.db2.gz FZLNZQLFOVNTHL-APWZRJJASA-N 2 1 349.478 3.684 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171755003 1137508456 /nfs/dbraw/zinc/50/84/56/1137508456.db2.gz KZYXROWWPAUAIY-UGKGYDQZSA-N 2 1 343.559 3.702 20 0 EHADMP CCCCCC[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764766 1137509348 /nfs/dbraw/zinc/50/93/48/1137509348.db2.gz UVMSUYYNCPQDJA-RBBKRZOGSA-N 2 1 343.559 3.847 20 0 EHADMP COc1cccc2c1c(C[NH3+])cn2[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735972 1137510622 /nfs/dbraw/zinc/51/06/22/1137510622.db2.gz ZPGBSCRMMURHNH-APWZRJJASA-N 2 1 349.478 3.944 20 0 EHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171965754 1137520426 /nfs/dbraw/zinc/52/04/26/1137520426.db2.gz RHQXKLNIXBCVGW-CWRNSKLLSA-N 2 1 326.406 3.520 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171965754 1137520428 /nfs/dbraw/zinc/52/04/28/1137520428.db2.gz RHQXKLNIXBCVGW-CWRNSKLLSA-N 2 1 326.406 3.520 20 0 EHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171965754 1137520429 /nfs/dbraw/zinc/52/04/29/1137520429.db2.gz RHQXKLNIXBCVGW-CWRNSKLLSA-N 2 1 326.406 3.520 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970276 1137523613 /nfs/dbraw/zinc/52/36/13/1137523613.db2.gz ZXDRLRXODLDTMD-LJQANCHMSA-N 2 1 340.515 3.570 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970276 1137523614 /nfs/dbraw/zinc/52/36/14/1137523614.db2.gz ZXDRLRXODLDTMD-LJQANCHMSA-N 2 1 340.515 3.570 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977293 1137525115 /nfs/dbraw/zinc/52/51/15/1137525115.db2.gz PVYLHMIOVDWXNW-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCCC[C@](O)(CF)C2)CC[NH+]1Cc1ccccc1 ZINC001171977293 1137525116 /nfs/dbraw/zinc/52/51/16/1137525116.db2.gz PVYLHMIOVDWXNW-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976011 1137525271 /nfs/dbraw/zinc/52/52/71/1137525271.db2.gz HLFDRZXPECGYSH-UZKOGDIHSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976011 1137525273 /nfs/dbraw/zinc/52/52/73/1137525273.db2.gz HLFDRZXPECGYSH-UZKOGDIHSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@]1(C)O ZINC001171976011 1137525275 /nfs/dbraw/zinc/52/52/75/1137525275.db2.gz HLFDRZXPECGYSH-UZKOGDIHSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979672 1137526035 /nfs/dbraw/zinc/52/60/35/1137526035.db2.gz FIBGMOTZHODRJM-AQNXPRMDSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979672 1137526037 /nfs/dbraw/zinc/52/60/37/1137526037.db2.gz FIBGMOTZHODRJM-AQNXPRMDSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979672 1137526038 /nfs/dbraw/zinc/52/60/38/1137526038.db2.gz FIBGMOTZHODRJM-AQNXPRMDSA-N 2 1 328.500 3.540 20 0 EHADMP CC1(C)C[C@H](N2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985523 1137527559 /nfs/dbraw/zinc/52/75/59/1137527559.db2.gz XOTCWLBSELCOKV-RTWAWAEBSA-N 2 1 341.543 3.600 20 0 EHADMP CCN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987429 1137528037 /nfs/dbraw/zinc/52/80/37/1137528037.db2.gz VGNUSSJPONACEB-HXUWFJFHSA-N 2 1 331.548 3.703 20 0 EHADMP CC[N@H+](CCn1cccn1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988271 1137528232 /nfs/dbraw/zinc/52/82/32/1137528232.db2.gz QQFOOQZZUUAAKX-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[N@@H+](CCn1cccn1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988271 1137528234 /nfs/dbraw/zinc/52/82/34/1137528234.db2.gz QQFOOQZZUUAAKX-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988271 1137528236 /nfs/dbraw/zinc/52/82/36/1137528236.db2.gz QQFOOQZZUUAAKX-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[NH+](CCn1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988271 1137528238 /nfs/dbraw/zinc/52/82/38/1137528238.db2.gz QQFOOQZZUUAAKX-FQEVSTJZSA-N 2 1 340.515 3.648 20 0 EHADMP CC[N@H+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172080330 1137530795 /nfs/dbraw/zinc/53/07/95/1137530795.db2.gz UARKUNLPUHODJH-ZBYYUNFXSA-N 2 1 341.543 3.600 20 0 EHADMP CC[NH+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172080330 1137530796 /nfs/dbraw/zinc/53/07/96/1137530796.db2.gz UARKUNLPUHODJH-ZBYYUNFXSA-N 2 1 341.543 3.600 20 0 EHADMP CC[NH+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172080330 1137530798 /nfs/dbraw/zinc/53/07/98/1137530798.db2.gz UARKUNLPUHODJH-ZBYYUNFXSA-N 2 1 341.543 3.600 20 0 EHADMP CC[N@H+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1C ZINC001172090352 1137531973 /nfs/dbraw/zinc/53/19/73/1137531973.db2.gz UKTCLDWLUGQESU-PSWRPDDJSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090352 1137531974 /nfs/dbraw/zinc/53/19/74/1137531974.db2.gz UKTCLDWLUGQESU-PSWRPDDJSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090352 1137531975 /nfs/dbraw/zinc/53/19/75/1137531975.db2.gz UKTCLDWLUGQESU-PSWRPDDJSA-N 2 1 341.543 3.598 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062314 1137532997 /nfs/dbraw/zinc/53/29/97/1137532997.db2.gz MDRNUTCKIZVNKK-WKCHPHFGSA-N 2 1 344.543 3.960 20 0 EHADMP C[NH+](C)CCC(C)(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063287 1137533081 /nfs/dbraw/zinc/53/30/81/1137533081.db2.gz BQWJAXWFMDNRCY-MZADTFQBSA-N 2 1 343.559 3.892 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCCO2)C3)cc1 ZINC001172062989 1137533088 /nfs/dbraw/zinc/53/30/88/1137533088.db2.gz VCZVRPIHZXETME-WOZUAGRISA-N 2 1 328.500 3.731 20 0 EHADMP CCOC(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OCC ZINC001172061362 1137533134 /nfs/dbraw/zinc/53/31/34/1137533134.db2.gz GPTKBSFQIPODAI-ACDBMABISA-N 2 1 346.515 3.561 20 0 EHADMP CCOC(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC001172061362 1137533136 /nfs/dbraw/zinc/53/31/36/1137533136.db2.gz GPTKBSFQIPODAI-ACDBMABISA-N 2 1 346.515 3.561 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CC2CCOCC2)C3)cc1 ZINC001172069488 1137534588 /nfs/dbraw/zinc/53/45/88/1137534588.db2.gz UGYQFOPDBZREFD-MZADTFQBSA-N 2 1 328.500 3.588 20 0 EHADMP COC[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067766 1137534591 /nfs/dbraw/zinc/53/45/91/1137534591.db2.gz FOHHJYUWMOJVBA-BURNTYAHSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067766 1137534592 /nfs/dbraw/zinc/53/45/92/1137534592.db2.gz FOHHJYUWMOJVBA-BURNTYAHSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067766 1137534593 /nfs/dbraw/zinc/53/45/93/1137534593.db2.gz FOHHJYUWMOJVBA-BURNTYAHSA-N 2 1 328.500 3.540 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172125171 1137534903 /nfs/dbraw/zinc/53/49/03/1137534903.db2.gz OWCQWIBOAFBBEL-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172125171 1137534905 /nfs/dbraw/zinc/53/49/05/1137534905.db2.gz OWCQWIBOAFBBEL-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172125171 1137534907 /nfs/dbraw/zinc/53/49/07/1137534907.db2.gz OWCQWIBOAFBBEL-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCc4ccccc4O3)CC1)C2 ZINC001172128000 1137535110 /nfs/dbraw/zinc/53/51/10/1137535110.db2.gz NLIPVDYVBBQXNH-ACDBMABISA-N 2 1 340.511 3.862 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128529 1137535346 /nfs/dbraw/zinc/53/53/46/1137535346.db2.gz SBQWDSOAQWZUAY-MUJYYYPQSA-N 2 1 349.906 3.594 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128529 1137535348 /nfs/dbraw/zinc/53/53/48/1137535348.db2.gz SBQWDSOAQWZUAY-MUJYYYPQSA-N 2 1 349.906 3.594 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001172102174 1137536340 /nfs/dbraw/zinc/53/63/40/1137536340.db2.gz KNBXYJUOWOPHAG-LDLYASANSA-N 2 1 344.499 3.747 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001172101741 1137536454 /nfs/dbraw/zinc/53/64/54/1137536454.db2.gz ANRKIDBKUGZAOQ-QKDCVEJESA-N 2 1 330.369 3.949 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001172101741 1137536456 /nfs/dbraw/zinc/53/64/56/1137536456.db2.gz ANRKIDBKUGZAOQ-QKDCVEJESA-N 2 1 330.369 3.949 20 0 EHADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172106221 1137537143 /nfs/dbraw/zinc/53/71/43/1137537143.db2.gz NOTGWZXOVGJGSM-BTTYYORXSA-N 2 1 342.405 3.819 20 0 EHADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106221 1137537144 /nfs/dbraw/zinc/53/71/44/1137537144.db2.gz NOTGWZXOVGJGSM-BTTYYORXSA-N 2 1 342.405 3.819 20 0 EHADMP COCCC[NH+]1CCC([NH2+]C2(CC3CC3)CCC(F)(F)CC2)CC1 ZINC001172249106 1137544606 /nfs/dbraw/zinc/54/46/06/1137544606.db2.gz WHJMTKUMGLHTBQ-UHFFFAOYSA-N 2 1 344.490 3.825 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@@H]1CCCOC1 ZINC000872027225 1137566096 /nfs/dbraw/zinc/56/60/96/1137566096.db2.gz KIIVHNXXAQGTQM-AEFFLSMTSA-N 2 1 331.435 3.615 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872061440 1137568869 /nfs/dbraw/zinc/56/88/69/1137568869.db2.gz YQDWZAQVEKZSPD-PBASOCQRSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872122380 1137572685 /nfs/dbraw/zinc/57/26/85/1137572685.db2.gz FEMCVACXMMPIOY-KSSFIOAISA-N 2 1 343.471 3.666 20 0 EHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872155810 1137573935 /nfs/dbraw/zinc/57/39/35/1137573935.db2.gz ZOQJUUJTWICJQA-LBPRGKRZSA-N 2 1 346.302 3.771 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151241 1137574056 /nfs/dbraw/zinc/57/40/56/1137574056.db2.gz BYBSPSBDVKAIQI-XWFZLUIHSA-N 2 1 349.478 3.541 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151241 1137574057 /nfs/dbraw/zinc/57/40/57/1137574057.db2.gz BYBSPSBDVKAIQI-XWFZLUIHSA-N 2 1 349.478 3.541 20 0 EHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155407 1137574126 /nfs/dbraw/zinc/57/41/26/1137574126.db2.gz RCTLBSMMSREMKG-MRXNPFEDSA-N 2 1 327.472 3.618 20 0 EHADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231952 1137594452 /nfs/dbraw/zinc/59/44/52/1137594452.db2.gz HHTBVCMKOXGEOM-FXAWDEMLSA-N 2 1 343.515 3.765 20 0 EHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CC1(F)F ZINC000876866887 1137664200 /nfs/dbraw/zinc/66/42/00/1137664200.db2.gz MDSPCXVEZWTJBA-KSSFIOAISA-N 2 1 337.458 3.920 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000876938095 1137665691 /nfs/dbraw/zinc/66/56/91/1137665691.db2.gz PMEBFNVEUNIKBB-YHEJKZAPSA-N 2 1 332.469 3.810 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054327 1137668905 /nfs/dbraw/zinc/66/89/05/1137668905.db2.gz HHUPQHLDGQBLMR-DYEKYZERSA-N 2 1 333.328 3.914 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054327 1137668906 /nfs/dbraw/zinc/66/89/06/1137668906.db2.gz HHUPQHLDGQBLMR-DYEKYZERSA-N 2 1 333.328 3.914 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741779 1137687529 /nfs/dbraw/zinc/68/75/29/1137687529.db2.gz NNBNWEWPEGDIHF-RRWNYDGOSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741779 1137687530 /nfs/dbraw/zinc/68/75/30/1137687530.db2.gz NNBNWEWPEGDIHF-RRWNYDGOSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741779 1137687531 /nfs/dbraw/zinc/68/75/31/1137687531.db2.gz NNBNWEWPEGDIHF-RRWNYDGOSA-N 2 1 336.426 3.717 20 0 EHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741779 1137687532 /nfs/dbraw/zinc/68/75/32/1137687532.db2.gz NNBNWEWPEGDIHF-RRWNYDGOSA-N 2 1 336.426 3.717 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[N@@H+]2C2CC2)cc1 ZINC000877804847 1137690491 /nfs/dbraw/zinc/69/04/91/1137690491.db2.gz FHEWIPWGEBIPJR-XRYRHKQGSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[N@H+]2C2CC2)cc1 ZINC000877804847 1137690492 /nfs/dbraw/zinc/69/04/92/1137690492.db2.gz FHEWIPWGEBIPJR-XRYRHKQGSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)O2)cc1 ZINC000878132636 1137703765 /nfs/dbraw/zinc/70/37/65/1137703765.db2.gz ARDHROHIXOEWAJ-GIVPXCGWSA-N 2 1 328.500 3.715 20 0 EHADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCC4(CCC4)O3)CC2)n2c1CCCC2 ZINC000878529193 1137718927 /nfs/dbraw/zinc/71/89/27/1137718927.db2.gz VJELHGCQEAWBMC-SFHVURJKSA-N 2 1 329.488 3.501 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)nc1Cl ZINC000878556782 1137720052 /nfs/dbraw/zinc/72/00/52/1137720052.db2.gz MNYSDHYBPXKGNC-HNNXBMFYSA-N 2 1 344.890 3.956 20 0 EHADMP Cc1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)nc1Cl ZINC000878556782 1137720053 /nfs/dbraw/zinc/72/00/53/1137720053.db2.gz MNYSDHYBPXKGNC-HNNXBMFYSA-N 2 1 344.890 3.956 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc3ccccc3n1C(F)F)CC2 ZINC000879248632 1137742463 /nfs/dbraw/zinc/74/24/63/1137742463.db2.gz RLPBVBDHKPGQDO-UHFFFAOYSA-N 2 1 348.441 3.739 20 0 EHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578645 1137751548 /nfs/dbraw/zinc/75/15/48/1137751548.db2.gz UXSVJVKYIOVSQA-WMZOPIPTSA-N 2 1 345.487 3.560 20 0 EHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578645 1137751549 /nfs/dbraw/zinc/75/15/49/1137751549.db2.gz UXSVJVKYIOVSQA-WMZOPIPTSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578645 1137751550 /nfs/dbraw/zinc/75/15/50/1137751550.db2.gz UXSVJVKYIOVSQA-WMZOPIPTSA-N 2 1 345.487 3.560 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC[C@@H]21 ZINC000879578645 1137751551 /nfs/dbraw/zinc/75/15/51/1137751551.db2.gz UXSVJVKYIOVSQA-WMZOPIPTSA-N 2 1 345.487 3.560 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357014 1137857385 /nfs/dbraw/zinc/85/73/85/1137857385.db2.gz BAYMQGQKIMVUAV-UXHICEINSA-N 2 1 340.511 3.875 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC4(CCC4)O3)CC23CC3)cc1 ZINC000883357014 1137857386 /nfs/dbraw/zinc/85/73/86/1137857386.db2.gz BAYMQGQKIMVUAV-UXHICEINSA-N 2 1 340.511 3.875 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000883368682 1137857843 /nfs/dbraw/zinc/85/78/43/1137857843.db2.gz XQDIEKFGDMRKAW-KCLUMXDGSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1Cc1ccccc1 ZINC000883368682 1137857844 /nfs/dbraw/zinc/85/78/44/1137857844.db2.gz XQDIEKFGDMRKAW-KCLUMXDGSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000883378938 1137858198 /nfs/dbraw/zinc/85/81/98/1137858198.db2.gz GKEWVEVYIBKAHT-FXAWDEMLSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000883378938 1137858199 /nfs/dbraw/zinc/85/81/99/1137858199.db2.gz GKEWVEVYIBKAHT-FXAWDEMLSA-N 2 1 328.500 3.588 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386419 1137858818 /nfs/dbraw/zinc/85/88/18/1137858818.db2.gz FWPLCMFAYFDTOX-FUHWJXTLSA-N 2 1 344.499 3.522 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386419 1137858819 /nfs/dbraw/zinc/85/88/19/1137858819.db2.gz FWPLCMFAYFDTOX-FUHWJXTLSA-N 2 1 344.499 3.522 20 0 EHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370330 1137886815 /nfs/dbraw/zinc/88/68/15/1137886815.db2.gz WRNKQJKELAMFDS-RBUKOAKNSA-N 2 1 335.923 3.503 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000332310898 1137939388 /nfs/dbraw/zinc/93/93/88/1137939388.db2.gz PGZNKSMWJQOJHJ-KRWDZBQOSA-N 2 1 331.504 3.724 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000886495411 1138083617 /nfs/dbraw/zinc/08/36/17/1138083617.db2.gz XQPWWEKFDXSBAQ-LJQANCHMSA-N 2 1 327.447 3.901 20 0 EHADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886536349 1138092583 /nfs/dbraw/zinc/09/25/83/1138092583.db2.gz GFUDMACNZDSLAV-MVWVFHAYSA-N 2 1 335.495 3.655 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCc3cccnc32)C[N@H+]1Cc1ccccc1 ZINC000886554767 1138095403 /nfs/dbraw/zinc/09/54/03/1138095403.db2.gz BPKUPAUYFLDKHC-SLYNCCJLSA-N 2 1 335.495 3.959 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)[nH+]c1C ZINC000886664079 1138111222 /nfs/dbraw/zinc/11/12/22/1138111222.db2.gz AWKZTASXCAREMJ-UHFFFAOYSA-N 2 1 349.482 3.651 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091346667 1138218899 /nfs/dbraw/zinc/21/88/99/1138218899.db2.gz WNGXDYNLXGXFSQ-ZDUSSCGKSA-N 2 1 345.878 3.863 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000093088594 1138234049 /nfs/dbraw/zinc/23/40/49/1138234049.db2.gz VIZRFYBTGCDAMK-UHFFFAOYSA-N 2 1 340.895 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@@H+]1C ZINC000124035492 1138278020 /nfs/dbraw/zinc/27/80/20/1138278020.db2.gz AFGNFKPFWKBBBW-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000124035492 1138278024 /nfs/dbraw/zinc/27/80/24/1138278024.db2.gz AFGNFKPFWKBBBW-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035492 1138278026 /nfs/dbraw/zinc/27/80/26/1138278026.db2.gz AFGNFKPFWKBBBW-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC[NH+]1C ZINC000124035492 1138278029 /nfs/dbraw/zinc/27/80/29/1138278029.db2.gz AFGNFKPFWKBBBW-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000348420423 1138304917 /nfs/dbraw/zinc/30/49/17/1138304917.db2.gz LJUQOLJHXLDDBY-LSDHHAIUSA-N 2 1 340.508 3.699 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000348420423 1138304919 /nfs/dbraw/zinc/30/49/19/1138304919.db2.gz LJUQOLJHXLDDBY-LSDHHAIUSA-N 2 1 340.508 3.699 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000128630580 1138394510 /nfs/dbraw/zinc/39/45/10/1138394510.db2.gz SAEGYPWUPRZCRF-SFHVURJKSA-N 2 1 341.499 3.625 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCC4)CC2)cs1 ZINC000337372159 1138548165 /nfs/dbraw/zinc/54/81/65/1138548165.db2.gz AJCHZILMNZVDSL-KRWDZBQOSA-N 2 1 333.545 3.840 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000338010084 1138722992 /nfs/dbraw/zinc/72/29/92/1138722992.db2.gz INJMQYQGUGUCOK-HNNXBMFYSA-N 2 1 338.377 3.663 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000338134929 1138761812 /nfs/dbraw/zinc/76/18/12/1138761812.db2.gz DBXQQQJVPCPLBF-ICSRJNTNSA-N 2 1 338.499 3.712 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000338134929 1138761814 /nfs/dbraw/zinc/76/18/14/1138761814.db2.gz DBXQQQJVPCPLBF-ICSRJNTNSA-N 2 1 338.499 3.712 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000152477448 1139093969 /nfs/dbraw/zinc/09/39/69/1139093969.db2.gz IHSHBTWITHBMIP-OLZOCXBDSA-N 2 1 328.378 3.720 20 0 EHADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCCCC2)c1)C1CCOCC1 ZINC000174344187 1139415148 /nfs/dbraw/zinc/41/51/48/1139415148.db2.gz DYPICUGBANAYTK-UHFFFAOYSA-N 2 1 346.515 3.599 20 0 EHADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178522845 1139701041 /nfs/dbraw/zinc/70/10/41/1139701041.db2.gz ISIIWHOBVGUVEN-GOSISDBHSA-N 2 1 348.531 3.609 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000179697467 1139775408 /nfs/dbraw/zinc/77/54/08/1139775408.db2.gz KSVSZYPVJFFTCR-FXAWDEMLSA-N 2 1 339.483 3.796 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000182159682 1139954931 /nfs/dbraw/zinc/95/49/31/1139954931.db2.gz CXGCWFDKNNMLBO-FUHWJXTLSA-N 2 1 331.504 3.664 20 0 EHADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000182243949 1139960393 /nfs/dbraw/zinc/96/03/93/1139960393.db2.gz OZNQTHLANASBSC-XMSQKQJNSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371105 1140199912 /nfs/dbraw/zinc/19/99/12/1140199912.db2.gz KQNFIOBSDAQCRF-HBFSDRIKSA-N 2 1 330.516 3.692 20 0 EHADMP c1ccc(COCCC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000186369869 1140200425 /nfs/dbraw/zinc/20/04/25/1140200425.db2.gz UTSVXGINEDJIGI-VQTJNVASSA-N 2 1 328.500 3.590 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CCS2 ZINC000191510178 1140469080 /nfs/dbraw/zinc/46/90/80/1140469080.db2.gz IZTNTXNUFUIHEQ-CXAGYDPISA-N 2 1 331.485 3.663 20 0 EHADMP CCOC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193348537 1140572967 /nfs/dbraw/zinc/57/29/67/1140572967.db2.gz KJKOSSFIGSKGJM-QMIIDVESSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000198665342 1140639977 /nfs/dbraw/zinc/63/99/77/1140639977.db2.gz ABNGVCAWJLJWBK-UHFFFAOYSA-N 2 1 331.504 3.730 20 0 EHADMP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000198665342 1140639980 /nfs/dbraw/zinc/63/99/80/1140639980.db2.gz ABNGVCAWJLJWBK-UHFFFAOYSA-N 2 1 331.504 3.730 20 0 EHADMP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000198665342 1140639983 /nfs/dbraw/zinc/63/99/83/1140639983.db2.gz ABNGVCAWJLJWBK-UHFFFAOYSA-N 2 1 331.504 3.730 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789496 1140992445 /nfs/dbraw/zinc/99/24/45/1140992445.db2.gz TXQYFGWXGCHFIL-UONOGXRCSA-N 2 1 330.394 3.620 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000268810920 1140997015 /nfs/dbraw/zinc/99/70/15/1140997015.db2.gz MBEZUJRMVNUZKU-SNVBAGLBSA-N 2 1 329.778 3.797 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000268833408 1141003215 /nfs/dbraw/zinc/00/32/15/1141003215.db2.gz GANALQVRNXATFD-GFCCVEGCSA-N 2 1 327.350 3.831 20 0 EHADMP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000268880597 1141016021 /nfs/dbraw/zinc/01/60/21/1141016021.db2.gz KCXJSLSBQASZPT-QGZVFWFLSA-N 2 1 330.472 3.816 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268908268 1141022993 /nfs/dbraw/zinc/02/29/93/1141022993.db2.gz HFSYNBXZYRFYMO-AZUAARDMSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268908268 1141023001 /nfs/dbraw/zinc/02/30/01/1141023001.db2.gz HFSYNBXZYRFYMO-AZUAARDMSA-N 2 1 330.516 3.572 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000268986279 1141039912 /nfs/dbraw/zinc/03/99/12/1141039912.db2.gz LPGKCHOBEVGBLE-IFXJQAMLSA-N 2 1 341.480 3.801 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000040227468 518219114 /nfs/dbraw/zinc/21/91/14/518219114.db2.gz WGUUGOLRWXBKMY-YVEFUNNKSA-N 2 1 335.289 3.510 20 0 EHADMP c1nc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc2[nH]1 ZINC000584284370 1032060707 /nfs/dbraw/zinc/06/07/07/1032060707.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc2[nH]1 ZINC000584284370 1032060724 /nfs/dbraw/zinc/06/07/24/1032060724.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc2[nH]1 ZINC000584284370 1032060741 /nfs/dbraw/zinc/06/07/41/1032060741.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2[nH]1 ZINC000584284370 1032060759 /nfs/dbraw/zinc/06/07/59/1032060759.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2[nH]1 ZINC000584284370 1032060778 /nfs/dbraw/zinc/06/07/78/1032060778.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2[nH]1 ZINC000584284370 1032060791 /nfs/dbraw/zinc/06/07/91/1032060791.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP c1nc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cc2[nH]1 ZINC000584284370 1032060806 /nfs/dbraw/zinc/06/08/06/1032060806.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 2 1 346.478 3.517 20 0 EHADMP Clc1sccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470968 1032068522 /nfs/dbraw/zinc/06/85/22/1032068522.db2.gz DLPPNYDFDJFGSY-YOEHRIQHSA-N 2 1 334.872 3.747 20 0 EHADMP CC(C)c1cnc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474226 1032071778 /nfs/dbraw/zinc/07/17/78/1032071778.db2.gz KOTLQOMODGYAGE-DNVCBOLYSA-N 2 1 343.496 3.612 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000578643440 1028159277 /nfs/dbraw/zinc/15/92/77/1028159277.db2.gz YYVDQLWXQPHEDV-WBMJQRKESA-N 2 1 325.294 3.577 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)cs2)cc1 ZINC000172534450 1014578061 /nfs/dbraw/zinc/57/80/61/1014578061.db2.gz OVXNEHVLLBRXQW-UHFFFAOYSA-N 2 1 329.513 3.892 20 0 EHADMP CC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000339490976 1014579838 /nfs/dbraw/zinc/57/98/38/1014579838.db2.gz SWQCCUSWVZTSOW-UYAOXDASSA-N 2 1 330.516 3.551 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000595026461 1033617668 /nfs/dbraw/zinc/61/76/68/1033617668.db2.gz NYKOGTJMRJCZAP-IIAWOOMASA-N 2 1 330.538 3.812 20 0 EHADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000595026461 1033617682 /nfs/dbraw/zinc/61/76/82/1033617682.db2.gz NYKOGTJMRJCZAP-IIAWOOMASA-N 2 1 330.538 3.812 20 0 EHADMP c1ccc2c(c1)CCC[C@H]2OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459447948 1032133768 /nfs/dbraw/zinc/13/37/68/1032133768.db2.gz QYAICDOFEBAVDQ-OAQYLSRUSA-N 2 1 328.500 3.687 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)CC[N@H+]1C ZINC000155054309 1016087261 /nfs/dbraw/zinc/08/72/61/1016087261.db2.gz FJKGVRHYOSSANQ-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459453091 1032143589 /nfs/dbraw/zinc/14/35/89/1032143589.db2.gz CCSAOLOKAFAKLM-UHFFFAOYSA-N 2 1 332.517 3.546 20 0 EHADMP C[N@H+](C[C@H](O)C[NH+](CC1CCCCC1)CC1CCCCC1)C1CC1 ZINC001167156934 1016392349 /nfs/dbraw/zinc/39/23/49/1016392349.db2.gz GZPAJPUPMRBYDS-NRFANRHFSA-N 2 1 336.564 3.904 20 0 EHADMP C[N@@H+](C[C@H](O)C[NH+](CC1CCCCC1)CC1CCCCC1)C1CC1 ZINC001167156934 1016392359 /nfs/dbraw/zinc/39/23/59/1016392359.db2.gz GZPAJPUPMRBYDS-NRFANRHFSA-N 2 1 336.564 3.904 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)[C@H](C)C1 ZINC000155397232 1016736786 /nfs/dbraw/zinc/73/67/86/1016736786.db2.gz LFHNRVHWDLZCFJ-BHIYHBOVSA-N 2 1 348.556 3.950 20 0 EHADMP C[C@@H](NCc1cc(F)ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380169229 1016911651 /nfs/dbraw/zinc/91/16/51/1016911651.db2.gz MOZDQVPXIXDGMV-NVXWUHKLSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380169229 1016911662 /nfs/dbraw/zinc/91/16/62/1016911662.db2.gz MOZDQVPXIXDGMV-NVXWUHKLSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380169229 1016911670 /nfs/dbraw/zinc/91/16/70/1016911670.db2.gz MOZDQVPXIXDGMV-NVXWUHKLSA-N 2 1 330.422 3.965 20 0 EHADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1F ZINC000449100774 1032179788 /nfs/dbraw/zinc/17/97/88/1032179788.db2.gz XJXYVULGLMANDJ-QGZVFWFLSA-N 2 1 342.458 3.645 20 0 EHADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1F ZINC000449100774 1032179793 /nfs/dbraw/zinc/17/97/93/1032179793.db2.gz XJXYVULGLMANDJ-QGZVFWFLSA-N 2 1 342.458 3.645 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449107045 1032185211 /nfs/dbraw/zinc/18/52/11/1032185211.db2.gz LDVXBJXPKKISMU-YGRLFVJLSA-N 2 1 329.257 3.505 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108982 1032190900 /nfs/dbraw/zinc/19/09/00/1032190900.db2.gz WMNMOYMCJSEQNW-IRXDYDNUSA-N 2 1 334.529 3.651 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)c1 ZINC000449108982 1032190902 /nfs/dbraw/zinc/19/09/02/1032190902.db2.gz WMNMOYMCJSEQNW-IRXDYDNUSA-N 2 1 334.529 3.651 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631058 1032207486 /nfs/dbraw/zinc/20/74/86/1032207486.db2.gz QWVKYJRFUCVQQP-MIUGBVLSSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379631058 1032207498 /nfs/dbraw/zinc/20/74/98/1032207498.db2.gz QWVKYJRFUCVQQP-MIUGBVLSSA-N 2 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000379631058 1032207514 /nfs/dbraw/zinc/20/75/14/1032207514.db2.gz QWVKYJRFUCVQQP-MIUGBVLSSA-N 3 1 341.543 3.550 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379631058 1032207530 /nfs/dbraw/zinc/20/75/30/1032207530.db2.gz QWVKYJRFUCVQQP-MIUGBVLSSA-N 3 1 341.543 3.550 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379648664 1032225280 /nfs/dbraw/zinc/22/52/80/1032225280.db2.gz MSAPFQNOKREKLV-AZUAARDMSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379648664 1032225297 /nfs/dbraw/zinc/22/52/97/1032225297.db2.gz MSAPFQNOKREKLV-AZUAARDMSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850239 1032258985 /nfs/dbraw/zinc/25/89/85/1032258985.db2.gz GQZFAUWMWZBDCZ-CABCVRRESA-N 2 1 340.458 3.677 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850239 1032258995 /nfs/dbraw/zinc/25/89/95/1032258995.db2.gz GQZFAUWMWZBDCZ-CABCVRRESA-N 2 1 340.458 3.677 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175136 1032269262 /nfs/dbraw/zinc/26/92/62/1032269262.db2.gz QJMVUOXFDOJVMF-GXTWGEPZSA-N 2 1 348.288 3.570 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000449185231 1032301890 /nfs/dbraw/zinc/30/18/90/1032301890.db2.gz JFYVAWMZIPXEMP-AEFFLSMTSA-N 2 1 335.580 3.880 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724997 1032431251 /nfs/dbraw/zinc/43/12/51/1032431251.db2.gz FMUINKSQSXBISW-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@](C)(F)C1)C1CC[NH+](C)CC1 ZINC000449348818 1032465904 /nfs/dbraw/zinc/46/59/04/1032465904.db2.gz HBOYMOFXVZUPAC-FQEVSTJZSA-N 2 1 333.495 3.541 20 0 EHADMP CC[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CC)CC1 ZINC000537093965 1032518131 /nfs/dbraw/zinc/51/81/31/1032518131.db2.gz ISMUPHZYUFBTNR-OAHLLOKOSA-N 2 1 339.321 3.844 20 0 EHADMP CC[C@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000449402892 1032527632 /nfs/dbraw/zinc/52/76/32/1032527632.db2.gz NRHNDXGXEJKTMZ-KXEVLKFVSA-N 2 1 330.516 3.833 20 0 EHADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000090113634 1032574313 /nfs/dbraw/zinc/57/43/13/1032574313.db2.gz RDSVVHQVOWBXGP-MJGOQNOKSA-N 2 1 348.556 3.541 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246050951 1032642581 /nfs/dbraw/zinc/64/25/81/1032642581.db2.gz YBVUYWBDMMXVJH-CVEARBPZSA-N 2 1 326.488 3.801 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000892739897 1017293741 /nfs/dbraw/zinc/29/37/41/1017293741.db2.gz JUJQLOCVZQHBHU-VEDCXYSMSA-N 2 1 330.516 3.693 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655690824 1017397908 /nfs/dbraw/zinc/39/79/08/1017397908.db2.gz LUJURMGXSQENQW-HXUWFJFHSA-N 2 1 338.499 3.740 20 0 EHADMP c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000655704186 1017419673 /nfs/dbraw/zinc/41/96/73/1017419673.db2.gz SBGWEQISPCDFSR-JOCHJYFZSA-N 2 1 336.479 3.697 20 0 EHADMP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415036138 1017424607 /nfs/dbraw/zinc/42/46/07/1017424607.db2.gz FHZBWJYFRRQBFB-HIFRSBDPSA-N 2 1 344.833 3.905 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415036138 1017424617 /nfs/dbraw/zinc/42/46/17/1017424617.db2.gz FHZBWJYFRRQBFB-HIFRSBDPSA-N 2 1 344.833 3.905 20 0 EHADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000415084459 1017527324 /nfs/dbraw/zinc/52/73/24/1017527324.db2.gz RIKKGOAKQAWHKL-NRFANRHFSA-N 2 1 326.484 3.866 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1Cl ZINC000415086396 1017530142 /nfs/dbraw/zinc/53/01/42/1017530142.db2.gz ROBGZSDRYXVDQI-FUHWJXTLSA-N 2 1 330.859 3.932 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2C)CC1 ZINC000313749000 1017532647 /nfs/dbraw/zinc/53/26/47/1017532647.db2.gz GORRYDVFTUAHHY-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2C)CC1 ZINC000313749000 1017532656 /nfs/dbraw/zinc/53/26/56/1017532656.db2.gz GORRYDVFTUAHHY-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP Fc1ccccc1OC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415088560 1017535023 /nfs/dbraw/zinc/53/50/23/1017535023.db2.gz XSEFDLKNPJSULA-LPHOPBHVSA-N 2 1 328.431 3.535 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1OC ZINC000415091802 1017547808 /nfs/dbraw/zinc/54/78/08/1017547808.db2.gz QXIAMQDMCMLFER-RTBURBONSA-N 2 1 340.467 3.677 20 0 EHADMP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415112980 1017568580 /nfs/dbraw/zinc/56/85/80/1017568580.db2.gz SBGFHZOIDVTWAD-FCHUYYIVSA-N 2 1 346.478 3.514 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000655850889 1017776536 /nfs/dbraw/zinc/77/65/36/1017776536.db2.gz ZPDDMCYQZSEYRP-HZEGPAAWSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCCO1 ZINC000655848844 1017776873 /nfs/dbraw/zinc/77/68/73/1017776873.db2.gz KKXAMJWMGBDXSS-AYWYSENESA-N 2 1 330.516 3.977 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCCO1 ZINC000655848844 1017776883 /nfs/dbraw/zinc/77/68/83/1017776883.db2.gz KKXAMJWMGBDXSS-AYWYSENESA-N 2 1 330.516 3.977 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000275644296 1017877434 /nfs/dbraw/zinc/87/74/34/1017877434.db2.gz TYZVFKUPIICXGB-QWHCGFSZSA-N 2 1 334.261 3.559 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@]1(C)CCCO1 ZINC000340484746 1018057762 /nfs/dbraw/zinc/05/77/62/1018057762.db2.gz DTEFINCOEFKYTK-UWJYYQICSA-N 2 1 342.483 3.959 20 0 EHADMP CCc1onc(C)c1CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893020949 1018180425 /nfs/dbraw/zinc/18/04/25/1018180425.db2.gz RDGXONHJDOLOIG-KBXCAEBGSA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893020949 1018180449 /nfs/dbraw/zinc/18/04/49/1018180449.db2.gz RDGXONHJDOLOIG-KBXCAEBGSA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893020949 1018180458 /nfs/dbraw/zinc/18/04/58/1018180458.db2.gz RDGXONHJDOLOIG-KBXCAEBGSA-N 2 1 333.501 3.780 20 0 EHADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000052441649 1018814357 /nfs/dbraw/zinc/81/43/57/1018814357.db2.gz OLLBWAQHJPYFJA-CQSZACIVSA-N 2 1 340.870 3.584 20 0 EHADMP Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000261757039 1018939546 /nfs/dbraw/zinc/93/95/46/1018939546.db2.gz CQBSCNIFMHWQMM-IRLDBZIGSA-N 2 1 338.495 3.530 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000580301722 1018944688 /nfs/dbraw/zinc/94/46/88/1018944688.db2.gz KFSOJSJENOXSBB-GUXCAODWSA-N 2 1 339.483 3.562 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000537961317 1019072116 /nfs/dbraw/zinc/07/21/16/1019072116.db2.gz GQZKKCPWQSIXIN-HOCLYGCPSA-N 2 1 346.462 3.782 20 0 EHADMP COCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513429445 1019654314 /nfs/dbraw/zinc/65/43/14/1019654314.db2.gz GAUNXDHRZNDHIN-OAQYLSRUSA-N 2 1 330.516 3.921 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513429445 1019654323 /nfs/dbraw/zinc/65/43/23/1019654323.db2.gz GAUNXDHRZNDHIN-OAQYLSRUSA-N 2 1 330.516 3.921 20 0 EHADMP COCC[NH+]1CCC([NH2+]CC2(Cc3ccccc3)CCCCC2)CC1 ZINC000471597966 1019696994 /nfs/dbraw/zinc/69/69/94/1019696994.db2.gz HWXNDANQPXCFKO-UHFFFAOYSA-N 2 1 344.543 3.880 20 0 EHADMP CCC[C@]1(CO)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000580679434 1019841719 /nfs/dbraw/zinc/84/17/19/1019841719.db2.gz XFUNMVHZBVZXKQ-NRFANRHFSA-N 2 1 332.532 3.629 20 0 EHADMP CCC[C@]1(CO)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000580679434 1019841737 /nfs/dbraw/zinc/84/17/37/1019841737.db2.gz XFUNMVHZBVZXKQ-NRFANRHFSA-N 2 1 332.532 3.629 20 0 EHADMP CCC[C@]1(CO)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000580679434 1019841756 /nfs/dbraw/zinc/84/17/56/1019841756.db2.gz XFUNMVHZBVZXKQ-NRFANRHFSA-N 2 1 332.532 3.629 20 0 EHADMP COC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513668419 1019920765 /nfs/dbraw/zinc/92/07/65/1019920765.db2.gz YEEHXTZCXIONMH-XUVXKRRUSA-N 2 1 330.516 3.692 20 0 EHADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000580733027 1019931876 /nfs/dbraw/zinc/93/18/76/1019931876.db2.gz QXWWSIJJKXKFJJ-ZTJXHEDMSA-N 2 1 338.417 3.828 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000349349535 1020005040 /nfs/dbraw/zinc/00/50/40/1020005040.db2.gz OTRSEBRCEMZPIT-UHFFFAOYSA-N 2 1 343.805 3.968 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000349349535 1020005054 /nfs/dbraw/zinc/00/50/54/1020005054.db2.gz OTRSEBRCEMZPIT-UHFFFAOYSA-N 2 1 343.805 3.968 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H]2CCC[C@@H]21 ZINC000580883071 1020176958 /nfs/dbraw/zinc/17/69/58/1020176958.db2.gz CMKPYXTZHSXAAW-YDHLFZDLSA-N 2 1 335.904 3.912 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H]2CCC[C@@H]21 ZINC000580883071 1020176968 /nfs/dbraw/zinc/17/69/68/1020176968.db2.gz CMKPYXTZHSXAAW-YDHLFZDLSA-N 2 1 335.904 3.912 20 0 EHADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)CC(C)C ZINC000684112211 1020242942 /nfs/dbraw/zinc/24/29/42/1020242942.db2.gz KYRSRTCEASRIBB-QYZOEREBSA-N 2 1 334.552 3.792 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCn2ccnc2)CC1 ZINC000581182020 1020507724 /nfs/dbraw/zinc/50/77/24/1020507724.db2.gz JCEAKGJGXDBWLC-UHFFFAOYSA-N 2 1 340.515 3.696 20 0 EHADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000430543256 1020608119 /nfs/dbraw/zinc/60/81/19/1020608119.db2.gz DSEDUECGWWLYTQ-MRXNPFEDSA-N 2 1 332.410 3.827 20 0 EHADMP Brc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000341180142 1021049693 /nfs/dbraw/zinc/04/96/93/1021049693.db2.gz DWTJVLKFPUBSDV-FZKQIMNGSA-N 2 1 349.316 3.900 20 0 EHADMP c1ncc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1C[NH+]1CC[C@@H](C2CC2)C1 ZINC000581529559 1021059630 /nfs/dbraw/zinc/05/96/30/1021059630.db2.gz HYZPQWWKGBQSOY-NHCUHLMSSA-N 2 1 325.500 3.545 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H](C)c2ccc(F)cc2)cc1 ZINC000414892117 1021255458 /nfs/dbraw/zinc/25/54/58/1021255458.db2.gz WJQARSLEBCPHMA-ONGXBYRLSA-N 2 1 342.458 3.673 20 0 EHADMP COc1ccc2oc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000656781997 1021321060 /nfs/dbraw/zinc/32/10/60/1021321060.db2.gz BZNVKAPGZQVLDG-MRXNPFEDSA-N 2 1 328.456 3.653 20 0 EHADMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(C2CCCC2)c1 ZINC000656784762 1021337561 /nfs/dbraw/zinc/33/75/61/1021337561.db2.gz CEWOWNJVKPWDRF-UHFFFAOYSA-N 2 1 341.543 3.650 20 0 EHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630684 1021337841 /nfs/dbraw/zinc/33/78/41/1021337841.db2.gz RZIOOBLDECNFPP-DLBZAZTESA-N 2 1 337.467 3.671 20 0 EHADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786710 1021342801 /nfs/dbraw/zinc/34/28/01/1021342801.db2.gz WUBHMRVAZIIGAJ-SFHVURJKSA-N 2 1 340.515 3.658 20 0 EHADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786719 1021343553 /nfs/dbraw/zinc/34/35/53/1021343553.db2.gz WXFHEAOKZDMDQJ-SFHVURJKSA-N 2 1 325.456 3.553 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCc2ccc(C(C)(C)C)cc2)CCCO1 ZINC000579063289 1021671016 /nfs/dbraw/zinc/67/10/16/1021671016.db2.gz YGDQKSSOQNZYGB-GOSISDBHSA-N 2 1 332.532 3.617 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000156376076 1021694536 /nfs/dbraw/zinc/69/45/36/1021694536.db2.gz XNHRXLHJGAJLRZ-QGZVFWFLSA-N 2 1 337.471 3.735 20 0 EHADMP c1ccc(COCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965306 1021756640 /nfs/dbraw/zinc/75/66/40/1021756640.db2.gz AJHDDYAZCSEDST-SEJPIABJSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000517011964 1021936711 /nfs/dbraw/zinc/93/67/11/1021936711.db2.gz NTMYQAAOOQZLMB-ZRBLBEILSA-N 2 1 349.522 3.965 20 0 EHADMP Cc1ccc(SCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000441227091 1022079831 /nfs/dbraw/zinc/07/98/31/1022079831.db2.gz LVXIBNYAYZLNTQ-YSIASYRMSA-N 2 1 348.556 3.579 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166560 1022085834 /nfs/dbraw/zinc/08/58/34/1022085834.db2.gz JDWLUBGHTIPIMQ-CABCVRRESA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166560 1022085842 /nfs/dbraw/zinc/08/58/42/1022085842.db2.gz JDWLUBGHTIPIMQ-CABCVRRESA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccncc1 ZINC000647189601 1022088866 /nfs/dbraw/zinc/08/88/66/1022088866.db2.gz FXSLQFHMYDTOFP-NQIIRXRSSA-N 2 1 335.495 3.972 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccncc1 ZINC000647189601 1022088883 /nfs/dbraw/zinc/08/88/83/1022088883.db2.gz FXSLQFHMYDTOFP-NQIIRXRSSA-N 2 1 335.495 3.972 20 0 EHADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)C(C)(C)C ZINC000440340132 1022113664 /nfs/dbraw/zinc/11/36/64/1022113664.db2.gz NRCSCIGUVFVHOM-INIZCTEOSA-N 2 1 332.517 3.661 20 0 EHADMP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000471795858 1022246922 /nfs/dbraw/zinc/24/69/22/1022246922.db2.gz BKNSTDXEUBPBMG-QHAWAJNXSA-N 2 1 344.543 3.818 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1 ZINC001167968773 1022273442 /nfs/dbraw/zinc/27/34/42/1022273442.db2.gz VEXIFJUDKKJUJM-LNRIEFBSSA-N 2 1 332.463 3.890 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1 ZINC001167968773 1022273445 /nfs/dbraw/zinc/27/34/45/1022273445.db2.gz VEXIFJUDKKJUJM-LNRIEFBSSA-N 2 1 332.463 3.890 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199728 1022320244 /nfs/dbraw/zinc/32/02/44/1022320244.db2.gz OECLSCCCTBJPPC-QUCCMNQESA-N 2 1 340.515 3.539 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199728 1022320261 /nfs/dbraw/zinc/32/02/61/1022320261.db2.gz OECLSCCCTBJPPC-QUCCMNQESA-N 2 1 340.515 3.539 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C[NH+](C)C ZINC000425946843 1022377544 /nfs/dbraw/zinc/37/75/44/1022377544.db2.gz QFRFPSQXEPIXNR-FZMZJTMJSA-N 2 1 343.334 3.773 20 0 EHADMP CCc1noc(C)c1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471863123 1022691237 /nfs/dbraw/zinc/69/12/37/1022691237.db2.gz UUDGOJPRCVXOHA-RXVVDRJESA-N 2 1 341.499 3.718 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414934881 1022796488 /nfs/dbraw/zinc/79/64/88/1022796488.db2.gz VMZOBNUZJAZTCS-QFBILLFUSA-N 2 1 345.531 3.895 20 0 EHADMP Brc1ccccc1CC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000293634707 1022879473 /nfs/dbraw/zinc/87/94/73/1022879473.db2.gz KJCGOYTXRZELKD-HOTGVXAUSA-N 2 1 349.316 3.741 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000430930240 1022899040 /nfs/dbraw/zinc/89/90/40/1022899040.db2.gz XPLAZBKWTZNNDE-ZDUSSCGKSA-N 2 1 349.931 3.947 20 0 EHADMP c1ccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167984360 1023077204 /nfs/dbraw/zinc/07/72/04/1023077204.db2.gz NNJCCQGMJPTKJZ-YOFSQIOKSA-N 2 1 340.511 3.935 20 0 EHADMP C[N@@H+](CCCOc1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000607358154 1033103461 /nfs/dbraw/zinc/10/34/61/1033103461.db2.gz HZLKMHXCSFAIKY-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1cccc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000607358154 1033103473 /nfs/dbraw/zinc/10/34/73/1033103473.db2.gz HZLKMHXCSFAIKY-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP C[NH+](CCCOc1cccc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358154 1033103479 /nfs/dbraw/zinc/10/34/79/1033103479.db2.gz HZLKMHXCSFAIKY-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000414963512 1023101458 /nfs/dbraw/zinc/10/14/58/1023101458.db2.gz KXDLNFIOKVFCRL-CEMLEFRQSA-N 2 1 335.495 3.577 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000518265151 1023174578 /nfs/dbraw/zinc/17/45/78/1023174578.db2.gz SKYQYWLVAPCUBW-XIRDDKMYSA-N 2 1 328.422 3.728 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429513 1023293546 /nfs/dbraw/zinc/29/35/46/1023293546.db2.gz JQJYRRDSIWCGDG-CXAGYDPISA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429513 1023293550 /nfs/dbraw/zinc/29/35/50/1023293550.db2.gz JQJYRRDSIWCGDG-CXAGYDPISA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429513 1023293558 /nfs/dbraw/zinc/29/35/58/1023293558.db2.gz JQJYRRDSIWCGDG-CXAGYDPISA-N 2 1 339.321 3.920 20 0 EHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000510928604 1023488257 /nfs/dbraw/zinc/48/82/57/1023488257.db2.gz KFNZZWWVKLZLTF-PCCBWWKXSA-N 2 1 348.506 3.786 20 0 EHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000510928604 1023488261 /nfs/dbraw/zinc/48/82/61/1023488261.db2.gz KFNZZWWVKLZLTF-PCCBWWKXSA-N 2 1 348.506 3.786 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@H]21 ZINC000342082385 1023890962 /nfs/dbraw/zinc/89/09/62/1023890962.db2.gz IQIOVWNOJVGWNV-KBRIMQKVSA-N 2 1 331.847 3.554 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000514086973 1024119229 /nfs/dbraw/zinc/11/92/29/1024119229.db2.gz DXBYNNAGJWLTKX-PMPSAXMXSA-N 2 1 328.378 3.548 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000514096802 1024149387 /nfs/dbraw/zinc/14/93/87/1024149387.db2.gz XXAPPKGIEGJINT-SCTDSRPQSA-N 2 1 332.536 3.989 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000427604421 1024236333 /nfs/dbraw/zinc/23/63/33/1024236333.db2.gz PJWNKIUJDRLSRX-JJRVBVJISA-N 2 1 339.405 3.694 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000427604421 1024236345 /nfs/dbraw/zinc/23/63/45/1024236345.db2.gz PJWNKIUJDRLSRX-JJRVBVJISA-N 2 1 339.405 3.694 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(O)CCC(C)CC2)cc1 ZINC000183678122 1024286784 /nfs/dbraw/zinc/28/67/84/1024286784.db2.gz WLBKPIAEHRJTMZ-NGEICVOHSA-N 2 1 327.472 3.773 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024063 1024304579 /nfs/dbraw/zinc/30/45/79/1024304579.db2.gz ZNWGZNFDPONYHG-OPVJXMOQSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1CC(NCc2ccccc2C[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024769 1024359546 /nfs/dbraw/zinc/35/95/46/1024359546.db2.gz IRYLADXBNPAGFH-ROUUACIJSA-N 2 1 337.511 3.677 20 0 EHADMP C[C@H]1CC([NH2+]Cc2ccccc2C[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001168024769 1024359563 /nfs/dbraw/zinc/35/95/63/1024359563.db2.gz IRYLADXBNPAGFH-ROUUACIJSA-N 2 1 337.511 3.677 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000346144102 1024443559 /nfs/dbraw/zinc/44/35/59/1024443559.db2.gz BPWOHAOVOKRTQZ-UTKZUKDTSA-N 2 1 332.451 3.954 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000346146627 1024447633 /nfs/dbraw/zinc/44/76/33/1024447633.db2.gz ICOZAJZTKSUINX-UHFFFAOYSA-N 2 1 336.414 3.879 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000346146627 1024447642 /nfs/dbraw/zinc/44/76/42/1024447642.db2.gz ICOZAJZTKSUINX-UHFFFAOYSA-N 2 1 336.414 3.879 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2cccnc12 ZINC000346166382 1024479920 /nfs/dbraw/zinc/47/99/20/1024479920.db2.gz IWHPILVLDHAONU-TZIWHRDSSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166382 1024479928 /nfs/dbraw/zinc/47/99/28/1024479928.db2.gz IWHPILVLDHAONU-TZIWHRDSSA-N 2 1 335.495 3.992 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166382 1024479938 /nfs/dbraw/zinc/47/99/38/1024479938.db2.gz IWHPILVLDHAONU-TZIWHRDSSA-N 2 1 335.495 3.992 20 0 EHADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346171100 1024484227 /nfs/dbraw/zinc/48/42/27/1024484227.db2.gz NXXBLHLAQVOCBO-AUUYWEPGSA-N 2 1 339.464 3.758 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000280965526 1024499474 /nfs/dbraw/zinc/49/94/74/1024499474.db2.gz SQPVKCHWBXSNND-KURKYZTESA-N 2 1 348.531 3.906 20 0 EHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000469801208 1024510792 /nfs/dbraw/zinc/51/07/92/1024510792.db2.gz OPBLOFWOOQIVHV-NRFANRHFSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000469801208 1024510797 /nfs/dbraw/zinc/51/07/97/1024510797.db2.gz OPBLOFWOOQIVHV-NRFANRHFSA-N 2 1 345.575 3.996 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCCC1 ZINC000414859548 1024518592 /nfs/dbraw/zinc/51/85/92/1024518592.db2.gz MYZYBRDFLOZKJI-PCCBWWKXSA-N 2 1 341.543 3.538 20 0 EHADMP c1[nH+]c(C2CC[NH+](CCCC3CCOCC3)CC2)n2c1CCCC2 ZINC000435055717 1024585593 /nfs/dbraw/zinc/58/55/93/1024585593.db2.gz DFMWAJLBJSXPEH-UHFFFAOYSA-N 2 1 331.504 3.606 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635792 1024625257 /nfs/dbraw/zinc/62/52/57/1024625257.db2.gz ZGOOUBSCGIUTFP-DZGCQCFKSA-N 2 1 332.875 3.599 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c2ccccc21 ZINC000514635792 1024625262 /nfs/dbraw/zinc/62/52/62/1024625262.db2.gz ZGOOUBSCGIUTFP-DZGCQCFKSA-N 2 1 332.875 3.599 20 0 EHADMP Brc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001205002073 1024658127 /nfs/dbraw/zinc/65/81/27/1024658127.db2.gz YSOFPJLPXYYFKA-YOEHRIQHSA-N 2 1 337.305 3.976 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031607 1024677040 /nfs/dbraw/zinc/67/70/40/1024677040.db2.gz AOWIPMGFWLTNRD-YWNDLMOBSA-N 2 1 330.516 3.569 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1c[nH]nc1-c1ccsc1 ZINC000895683563 1024732777 /nfs/dbraw/zinc/73/27/77/1024732777.db2.gz NZLJOAAWPLKOGO-UHFFFAOYSA-N 2 1 332.517 3.836 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375842 1024843598 /nfs/dbraw/zinc/84/35/98/1024843598.db2.gz XCNXZWFURSRKFT-QWHCGFSZSA-N 2 1 327.453 3.725 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435375842 1024843619 /nfs/dbraw/zinc/84/36/19/1024843619.db2.gz XCNXZWFURSRKFT-QWHCGFSZSA-N 2 1 327.453 3.725 20 0 EHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCc1cccs1 ZINC000435368644 1024850826 /nfs/dbraw/zinc/85/08/26/1024850826.db2.gz BZSDLXCPMWAEMW-GOEBONIOSA-N 2 1 346.496 3.505 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000277390764 1024895004 /nfs/dbraw/zinc/89/50/04/1024895004.db2.gz GWVCNRORSDMITQ-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000277390764 1024895019 /nfs/dbraw/zinc/89/50/19/1024895019.db2.gz GWVCNRORSDMITQ-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP CC(C)n1ccnc1CNCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000657310924 1024953557 /nfs/dbraw/zinc/95/35/57/1024953557.db2.gz RRINPMAIZUNFIF-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000657310924 1024953565 /nfs/dbraw/zinc/95/35/65/1024953565.db2.gz RRINPMAIZUNFIF-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000657310924 1024953574 /nfs/dbraw/zinc/95/35/74/1024953574.db2.gz RRINPMAIZUNFIF-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000352821067 1024973628 /nfs/dbraw/zinc/97/36/28/1024973628.db2.gz FNGOYUCQJOLWHO-UHFFFAOYSA-N 2 1 341.286 3.744 20 0 EHADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(C)(C)C ZINC000511053931 1024975567 /nfs/dbraw/zinc/97/55/67/1024975567.db2.gz HRXGBUCHLYBLOX-MHTWAQMVSA-N 2 1 344.543 3.938 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000157654692 1025003708 /nfs/dbraw/zinc/00/37/08/1025003708.db2.gz RMBXSXFJSOMOPA-XOBRGWDASA-N 2 1 339.414 3.704 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281438490 1025050888 /nfs/dbraw/zinc/05/08/88/1025050888.db2.gz RYJYTYYSXSGQQS-FXAWDEMLSA-N 2 1 340.515 3.773 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000428213328 1025051013 /nfs/dbraw/zinc/05/10/13/1025051013.db2.gz RNLBLRSFCREILG-WWNPGLIZSA-N 2 1 349.522 3.905 20 0 EHADMP Cc1cnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000428232620 1025066121 /nfs/dbraw/zinc/06/61/21/1025066121.db2.gz VEFJCPSYCVBVPZ-GOSISDBHSA-N 2 1 338.499 3.690 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000157733247 1025102435 /nfs/dbraw/zinc/10/24/35/1025102435.db2.gz VVZRDEYNCDWDEM-QFBILLFUSA-N 2 1 343.515 3.778 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+]1C ZINC000157733247 1025102440 /nfs/dbraw/zinc/10/24/40/1025102440.db2.gz VVZRDEYNCDWDEM-QFBILLFUSA-N 2 1 343.515 3.778 20 0 EHADMP CC[NH+]1CCC(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168012556 1025114601 /nfs/dbraw/zinc/11/46/01/1025114601.db2.gz CALQCFHQFJKOAB-OALUTQOASA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[N@H+]1CC[C@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012567 1025116428 /nfs/dbraw/zinc/11/64/28/1025116428.db2.gz CDKIYCSHOKKNEQ-BJLQDIEVSA-N 2 1 329.532 3.500 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000157911433 1025192492 /nfs/dbraw/zinc/19/24/92/1025192492.db2.gz IGOJEYPXQZQSDN-IRXDYDNUSA-N 2 1 331.504 3.808 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168039502 1025239560 /nfs/dbraw/zinc/23/95/60/1025239560.db2.gz GDRXGQRKMQNDFP-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039502 1025239574 /nfs/dbraw/zinc/23/95/74/1025239574.db2.gz GDRXGQRKMQNDFP-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039502 1025239590 /nfs/dbraw/zinc/23/95/90/1025239590.db2.gz GDRXGQRKMQNDFP-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039502 1025239601 /nfs/dbraw/zinc/23/96/01/1025239601.db2.gz GDRXGQRKMQNDFP-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039502 1025239616 /nfs/dbraw/zinc/23/96/16/1025239616.db2.gz GDRXGQRKMQNDFP-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453223450 1025252147 /nfs/dbraw/zinc/25/21/47/1025252147.db2.gz RMKIWSXSLRLFJH-DNVJHFABSA-N 2 1 349.522 3.965 20 0 EHADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000665280660 1025286171 /nfs/dbraw/zinc/28/61/71/1025286171.db2.gz ILONJGRXPKMLRL-KGLIPLIRSA-N 2 1 329.257 3.539 20 0 EHADMP Fc1ccccc1-c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)o1 ZINC000414877696 1025373180 /nfs/dbraw/zinc/37/31/80/1025373180.db2.gz MPHYIOPGENATOK-UHFFFAOYSA-N 2 1 339.414 3.750 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281709666 1025377078 /nfs/dbraw/zinc/37/70/78/1025377078.db2.gz TYQXRGJNZAXOOR-OALUTQOASA-N 2 1 326.488 3.991 20 0 EHADMP CC(C)C[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000474722079 1025388105 /nfs/dbraw/zinc/38/81/05/1025388105.db2.gz XCGFXRAAUKUGHD-QFIPXVFZSA-N 2 1 345.575 3.680 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc4nonc4c3)CC23CC3)cc1 ZINC000897990564 1033282787 /nfs/dbraw/zinc/28/27/87/1033282787.db2.gz WRLURMMWKABKNP-SFHVURJKSA-N 2 1 348.450 3.510 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4nonc4c3)CC23CC3)cc1 ZINC000897990564 1033282801 /nfs/dbraw/zinc/28/28/01/1033282801.db2.gz WRLURMMWKABKNP-SFHVURJKSA-N 2 1 348.450 3.510 20 0 EHADMP Cc1ccc(N2CCC([NH2+]Cc3cc4c(cccc4F)[nH]3)CC2)[nH+]c1 ZINC000436244160 1025492011 /nfs/dbraw/zinc/49/20/11/1025492011.db2.gz BXIWOSPZMHBVGP-UHFFFAOYSA-N 2 1 338.430 3.769 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CCOCC1 ZINC000436288230 1025530985 /nfs/dbraw/zinc/53/09/85/1025530985.db2.gz DWONSQHPSOFWMZ-IBGZPJMESA-N 2 1 330.516 3.791 20 0 EHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000521632818 1025534257 /nfs/dbraw/zinc/53/42/57/1025534257.db2.gz WWGIZKSNCVPORF-CABCVRRESA-N 2 1 331.485 3.533 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314441 1025575858 /nfs/dbraw/zinc/57/58/58/1025575858.db2.gz NNSJCXDZWWSHGI-ODVANORSSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314441 1025575871 /nfs/dbraw/zinc/57/58/71/1025575871.db2.gz NNSJCXDZWWSHGI-ODVANORSSA-N 2 1 326.406 3.881 20 0 EHADMP CC[C@@H](C)[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000443004853 1025655836 /nfs/dbraw/zinc/65/58/36/1025655836.db2.gz TYNXVSAVTZHXES-PBHICJAKSA-N 2 1 328.460 3.768 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)c2cccc(Br)c21 ZINC000530354972 1025697642 /nfs/dbraw/zinc/69/76/42/1025697642.db2.gz NCZBFYCWJBTLJK-NHYWBVRUSA-N 2 1 334.261 3.563 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301340 1025785909 /nfs/dbraw/zinc/78/59/09/1025785909.db2.gz BXDCVRFLSLFCDM-MSOLQXFVSA-N 2 1 342.433 3.638 20 0 EHADMP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530424969 1025798629 /nfs/dbraw/zinc/79/86/29/1025798629.db2.gz QTZMAWQDXYLIHY-DFQSSKMNSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000443207136 1025810278 /nfs/dbraw/zinc/81/02/78/1025810278.db2.gz YGASAKVDSDJUPP-UTUOFQBUSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000443207136 1025810291 /nfs/dbraw/zinc/81/02/91/1025810291.db2.gz YGASAKVDSDJUPP-UTUOFQBUSA-N 2 1 329.307 3.788 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000469767295 1025825289 /nfs/dbraw/zinc/82/52/89/1025825289.db2.gz ZBKDYIWBTCXFEM-LWRMZHFDSA-N 2 1 344.543 3.674 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000530513298 1025987572 /nfs/dbraw/zinc/98/75/72/1025987572.db2.gz CBAYKZDPCHRDQW-CQSZACIVSA-N 2 1 340.254 3.773 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000342583765 1026369076 /nfs/dbraw/zinc/36/90/76/1026369076.db2.gz WANJVVCPTXHVSW-CYBMUJFWSA-N 2 1 325.884 3.516 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000475292559 1026448291 /nfs/dbraw/zinc/44/82/91/1026448291.db2.gz SVKFZHAAHKSAAQ-KRWDZBQOSA-N 2 1 344.886 3.960 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000475292559 1026448295 /nfs/dbraw/zinc/44/82/95/1026448295.db2.gz SVKFZHAAHKSAAQ-KRWDZBQOSA-N 2 1 344.886 3.960 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000475292560 1026448961 /nfs/dbraw/zinc/44/89/61/1026448961.db2.gz SVKFZHAAHKSAAQ-QGZVFWFLSA-N 2 1 344.886 3.960 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000475292560 1026448966 /nfs/dbraw/zinc/44/89/66/1026448966.db2.gz SVKFZHAAHKSAAQ-QGZVFWFLSA-N 2 1 344.886 3.960 20 0 EHADMP C[C@H]1CC([NH+]2CC(c3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062335 1026527154 /nfs/dbraw/zinc/52/71/54/1026527154.db2.gz KBFXAJJRORTENT-ROUUACIJSA-N 2 1 335.495 3.922 20 0 EHADMP Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2[nH+]1 ZINC000301140911 1026699428 /nfs/dbraw/zinc/69/94/28/1026699428.db2.gz IAARVSPTCMFPIY-UHFFFAOYSA-N 2 1 347.462 3.988 20 0 EHADMP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301469337 1026818005 /nfs/dbraw/zinc/81/80/05/1026818005.db2.gz NVPRTODOOGGCPU-AWEZNQCLSA-N 2 1 348.288 3.918 20 0 EHADMP CC[N@H+]1CCCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000301520143 1026838166 /nfs/dbraw/zinc/83/81/66/1026838166.db2.gz LALRTWNZRSTNIV-UHFFFAOYSA-N 2 1 335.398 3.677 20 0 EHADMP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301528476 1026840906 /nfs/dbraw/zinc/84/09/06/1026840906.db2.gz KBCLNGHWMTVNHV-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301528476 1026840913 /nfs/dbraw/zinc/84/09/13/1026840913.db2.gz KBCLNGHWMTVNHV-ZDUSSCGKSA-N 2 1 348.288 3.775 20 0 EHADMP Cc1nc(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000563441966 1026987496 /nfs/dbraw/zinc/98/74/96/1026987496.db2.gz VFWSPXCHQNCGIO-HNNXBMFYSA-N 2 1 326.488 3.548 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccn1 ZINC000657534489 1027015234 /nfs/dbraw/zinc/01/52/34/1027015234.db2.gz GKCMBIJICMHHRZ-KRWDZBQOSA-N 2 1 341.474 3.621 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000302035142 1027030512 /nfs/dbraw/zinc/03/05/12/1027030512.db2.gz FEABGUMITZKIAX-HNNXBMFYSA-N 2 1 330.501 3.733 20 0 EHADMP CCc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(C)[nH+]1 ZINC000302035142 1027030517 /nfs/dbraw/zinc/03/05/17/1027030517.db2.gz FEABGUMITZKIAX-HNNXBMFYSA-N 2 1 330.501 3.733 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)c2c1 ZINC000664237651 1027173524 /nfs/dbraw/zinc/17/35/24/1027173524.db2.gz STARRTQRDGYTAB-FQEVSTJZSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1ccc2cc[nH+]c(NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)c2c1 ZINC000664237651 1027173534 /nfs/dbraw/zinc/17/35/34/1027173534.db2.gz STARRTQRDGYTAB-FQEVSTJZSA-N 2 1 347.462 3.722 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CC2 ZINC000126721184 1027231470 /nfs/dbraw/zinc/23/14/70/1027231470.db2.gz RRXPLZCXGLLVAU-QHCPKHFHSA-N 2 1 349.522 3.520 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562853 1027304043 /nfs/dbraw/zinc/30/40/43/1027304043.db2.gz JIUFNMOIMKLHQJ-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562853 1027304062 /nfs/dbraw/zinc/30/40/62/1027304062.db2.gz JIUFNMOIMKLHQJ-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH+]3CCCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453092464 1027352600 /nfs/dbraw/zinc/35/26/00/1027352600.db2.gz QOQKIGVGPUVFJS-FDFHNCONSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453092464 1027352610 /nfs/dbraw/zinc/35/26/10/1027352610.db2.gz QOQKIGVGPUVFJS-FDFHNCONSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH+]3CCCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453092464 1027352625 /nfs/dbraw/zinc/35/26/25/1027352625.db2.gz QOQKIGVGPUVFJS-FDFHNCONSA-N 3 1 341.543 3.505 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453104236 1027366668 /nfs/dbraw/zinc/36/66/68/1027366668.db2.gz FFOUEUCMNNOTSP-HZPDHXFCSA-N 2 1 337.471 3.579 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nccs1 ZINC000273409242 1027414705 /nfs/dbraw/zinc/41/47/05/1027414705.db2.gz HNOLZWXFYQNQOO-JFIYKMOQSA-N 2 1 329.513 3.889 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453131184 1027432235 /nfs/dbraw/zinc/43/22/35/1027432235.db2.gz ZHQCKLXOFQLEDG-ZDFPQIBNSA-N 2 1 344.543 3.818 20 0 EHADMP Clc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420345016 1027475518 /nfs/dbraw/zinc/47/55/18/1027475518.db2.gz VOMAXMKKTZHESV-HZPDHXFCSA-N 2 1 345.874 3.817 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000420324988 1027478742 /nfs/dbraw/zinc/47/87/42/1027478742.db2.gz VWWCGQOWTKRGMJ-RXVVDRJESA-N 2 1 340.467 3.583 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420333610 1027481712 /nfs/dbraw/zinc/48/17/12/1027481712.db2.gz FJTKMFKXXPQHJX-RBUKOAKNSA-N 2 1 328.500 3.636 20 0 EHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000420369367 1027495282 /nfs/dbraw/zinc/49/52/82/1027495282.db2.gz VAHCKXSAPQYEOY-OAHLLOKOSA-N 2 1 332.410 3.827 20 0 EHADMP Clc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000420409211 1027529385 /nfs/dbraw/zinc/52/93/85/1027529385.db2.gz WSPGSZBDEACXAQ-KSSFIOAISA-N 2 1 329.875 3.852 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000459336080 1027689692 /nfs/dbraw/zinc/68/96/92/1027689692.db2.gz BTPITXJLVCCFCO-QGZVFWFLSA-N 2 1 327.516 3.957 20 0 EHADMP Cc1ccc(-n2cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)c(C(C)(C)C)n2)cc1 ZINC000414654821 1027712926 /nfs/dbraw/zinc/71/29/26/1027712926.db2.gz CPIAPRKVCZGRNL-IAGOWNOFSA-N 2 1 340.515 3.647 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000582790288 1027731111 /nfs/dbraw/zinc/73/11/11/1027731111.db2.gz VTXCKIOFDAMHAQ-MHTWAQMVSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000582790288 1027731125 /nfs/dbraw/zinc/73/11/25/1027731125.db2.gz VTXCKIOFDAMHAQ-MHTWAQMVSA-N 2 1 330.516 3.863 20 0 EHADMP CC1CCN([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c2cccs2)CC1 ZINC000422742367 1027912588 /nfs/dbraw/zinc/91/25/88/1027912588.db2.gz GCSWWPOZUKINLN-OKZBNKHCSA-N 2 1 335.561 3.628 20 0 EHADMP C[C@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)c1c[nH+]ccc1N ZINC000422823809 1027968453 /nfs/dbraw/zinc/96/84/53/1027968453.db2.gz FEUPHCBRSASJFG-GTNSWQLSSA-N 2 1 333.382 3.824 20 0 EHADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132903656 1027976852 /nfs/dbraw/zinc/97/68/52/1027976852.db2.gz ITPWBNKNKZYBDY-DLBZAZTESA-N 2 1 348.556 3.950 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422868044 1028004362 /nfs/dbraw/zinc/00/43/62/1028004362.db2.gz UEYOZHLWAYOWDN-GCJKJVERSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422868044 1028004383 /nfs/dbraw/zinc/00/43/83/1028004383.db2.gz UEYOZHLWAYOWDN-GCJKJVERSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422868044 1028004400 /nfs/dbraw/zinc/00/44/00/1028004400.db2.gz UEYOZHLWAYOWDN-GCJKJVERSA-N 3 1 339.527 3.575 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422868044 1028004424 /nfs/dbraw/zinc/00/44/24/1028004424.db2.gz UEYOZHLWAYOWDN-GCJKJVERSA-N 2 1 339.527 3.575 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422868044 1028004446 /nfs/dbraw/zinc/00/44/46/1028004446.db2.gz UEYOZHLWAYOWDN-GCJKJVERSA-N 2 1 339.527 3.575 20 0 EHADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422883312 1028015409 /nfs/dbraw/zinc/01/54/09/1028015409.db2.gz QLEANGNFFTVSGR-IAGOWNOFSA-N 2 1 338.499 3.577 20 0 EHADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422874610 1028030410 /nfs/dbraw/zinc/03/04/10/1028030410.db2.gz NWYHNCODEVNSOE-JGVFFNPUSA-N 2 1 327.202 3.810 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)C1 ZINC000422871388 1028031752 /nfs/dbraw/zinc/03/17/52/1028031752.db2.gz ZYKRFBWKSWTMLZ-XPQZIERPSA-N 3 1 329.532 3.526 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]1 ZINC000414703403 1028051972 /nfs/dbraw/zinc/05/19/72/1028051972.db2.gz JRHAOMVIAFXLKN-BZUAXINKSA-N 2 1 333.545 3.589 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422921561 1028076005 /nfs/dbraw/zinc/07/60/05/1028076005.db2.gz QMJKJCRZBMSFAJ-CFSSXQINSA-N 2 1 344.405 3.871 20 0 EHADMP COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422949982 1028089194 /nfs/dbraw/zinc/08/91/94/1028089194.db2.gz WWNUJOHJOGBTFR-UONOGXRCSA-N 2 1 331.485 3.582 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006344 1028119407 /nfs/dbraw/zinc/11/94/07/1028119407.db2.gz VGEJGGPUFSKUOD-PMXSJFBMSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCCC[C@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006344 1028119418 /nfs/dbraw/zinc/11/94/18/1028119418.db2.gz VGEJGGPUFSKUOD-PMXSJFBMSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCCC[C@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006344 1028119424 /nfs/dbraw/zinc/11/94/24/1028119424.db2.gz VGEJGGPUFSKUOD-PMXSJFBMSA-N 2 1 329.532 3.537 20 0 EHADMP Cc1cccc([C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)c1 ZINC000423024373 1028133468 /nfs/dbraw/zinc/13/34/68/1028133468.db2.gz LQGUOEDXONVLAO-HTAPYJJXSA-N 2 1 346.478 3.992 20 0 EHADMP Fc1ccc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423030437 1028138659 /nfs/dbraw/zinc/13/86/59/1028138659.db2.gz JSPMKIFNCRHVQJ-REAWMAMMSA-N 2 1 346.490 3.599 20 0 EHADMP CC[N@H+](Cc1cn(-c2ccccc2)nc1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414715675 1028163891 /nfs/dbraw/zinc/16/38/91/1028163891.db2.gz NDOMSBAFWBTBDV-IBGZPJMESA-N 2 1 340.515 3.960 20 0 EHADMP CC[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414715675 1028163904 /nfs/dbraw/zinc/16/39/04/1028163904.db2.gz NDOMSBAFWBTBDV-IBGZPJMESA-N 2 1 340.515 3.960 20 0 EHADMP CC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414714006 1028165225 /nfs/dbraw/zinc/16/52/25/1028165225.db2.gz LEKQQIJPCGSSBC-CYBMUJFWSA-N 2 1 332.822 3.905 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421337 1028209150 /nfs/dbraw/zinc/20/91/50/1028209150.db2.gz XVEVZQMDZJHGBB-HBFSDRIKSA-N 2 1 340.515 3.680 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000503923766 1028212245 /nfs/dbraw/zinc/21/22/45/1028212245.db2.gz FPYMJUWGDVJNJE-MRXNPFEDSA-N 2 1 325.456 3.587 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503926229 1028217973 /nfs/dbraw/zinc/21/79/73/1028217973.db2.gz MXEQOBFETRJLKF-DZJNRPSUSA-N 2 1 338.442 3.647 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134508 1028220363 /nfs/dbraw/zinc/22/03/63/1028220363.db2.gz MHRFYVPGBRDVOR-UPRAQXHNSA-N 2 1 336.414 3.807 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134509 1028221375 /nfs/dbraw/zinc/22/13/75/1028221375.db2.gz MHRFYVPGBRDVOR-VMDGZTHMSA-N 2 1 336.414 3.807 20 0 EHADMP CC(C)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)c(F)c1 ZINC000423184717 1028232321 /nfs/dbraw/zinc/23/23/21/1028232321.db2.gz IOHFFONPWJCQRA-LJQANCHMSA-N 2 1 333.426 3.826 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423212128 1028255932 /nfs/dbraw/zinc/25/59/32/1028255932.db2.gz LPRSLEUYKAFUIX-FZMZJTMJSA-N 2 1 329.271 3.796 20 0 EHADMP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194611 1028265639 /nfs/dbraw/zinc/26/56/39/1028265639.db2.gz ZFPNQPYAXRWAIM-FQEVSTJZSA-N 2 1 334.467 3.710 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423258315 1028318257 /nfs/dbraw/zinc/31/82/57/1028318257.db2.gz BHMWUBDYKUCANC-BEFAXECRSA-N 2 1 346.519 3.775 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000423283446 1028323297 /nfs/dbraw/zinc/32/32/97/1028323297.db2.gz WEGXHMVYMRZPNT-JKSUJKDBSA-N 2 1 348.288 3.635 20 0 EHADMP C[NH+](C)C1CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000421375143 1028334682 /nfs/dbraw/zinc/33/46/82/1028334682.db2.gz PUPMZRLTIWECQV-UHFFFAOYSA-N 3 1 331.548 3.607 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421375143 1028334697 /nfs/dbraw/zinc/33/46/97/1028334697.db2.gz PUPMZRLTIWECQV-UHFFFAOYSA-N 2 1 331.548 3.607 20 0 EHADMP Brc1ccsc1[C@@H]([NH2+]CC1C[NH2+]C1)C1CCCCC1 ZINC000423311972 1028345236 /nfs/dbraw/zinc/34/52/36/1028345236.db2.gz CHFQLFVZPQKRFM-AWEZNQCLSA-N 2 1 343.334 3.941 20 0 EHADMP CC(C)N1CCc2nc(C[N@H+]3CC[C@H](C4CCCC4)C3)sc2C1 ZINC000421388876 1028365175 /nfs/dbraw/zinc/36/51/75/1028365175.db2.gz KZSBRTYNHWTAMR-INIZCTEOSA-N 2 1 333.545 3.922 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C4CCCC4)C3)sc2C1 ZINC000421388876 1028365194 /nfs/dbraw/zinc/36/51/94/1028365194.db2.gz KZSBRTYNHWTAMR-INIZCTEOSA-N 2 1 333.545 3.922 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C4CCCC4)C3)sc2C1 ZINC000421388876 1028365232 /nfs/dbraw/zinc/36/52/32/1028365232.db2.gz KZSBRTYNHWTAMR-INIZCTEOSA-N 2 1 333.545 3.922 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C4CCCC4)C3)sc2C1 ZINC000421388876 1028365249 /nfs/dbraw/zinc/36/52/49/1028365249.db2.gz KZSBRTYNHWTAMR-INIZCTEOSA-N 2 1 333.545 3.922 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc2ccc(Cl)cc2n1C ZINC000423382903 1028399623 /nfs/dbraw/zinc/39/96/23/1028399623.db2.gz KANGSQYYMNPREK-LBPRGKRZSA-N 2 1 340.858 3.681 20 0 EHADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc(Cl)c1O ZINC000459379775 1028408550 /nfs/dbraw/zinc/40/85/50/1028408550.db2.gz RVFODJRMCVHLIH-DZGCQCFKSA-N 2 1 340.895 3.749 20 0 EHADMP c1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCCC2)cc1 ZINC000423507622 1028472594 /nfs/dbraw/zinc/47/25/94/1028472594.db2.gz JURULDJBNMFYKM-HRTMPFAESA-N 2 1 341.543 3.724 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)CC[N@H+]1C ZINC000162158156 1028478158 /nfs/dbraw/zinc/47/81/58/1028478158.db2.gz PTFVXUOQZPERQC-KBPBESRZSA-N 2 1 337.305 3.553 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)CC[N@H+]1C ZINC000162158014 1028479087 /nfs/dbraw/zinc/47/90/87/1028479087.db2.gz PTFVXUOQZPERQC-KGLIPLIRSA-N 2 1 337.305 3.553 20 0 EHADMP CCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)s1 ZINC000423531610 1028485628 /nfs/dbraw/zinc/48/56/28/1028485628.db2.gz SXXRQGQLZMZPFS-LFWKMUGHSA-N 2 1 333.545 3.818 20 0 EHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423533670 1028488553 /nfs/dbraw/zinc/48/85/53/1028488553.db2.gz UEQDYSFQAHUQOY-MLGOLLRUSA-N 2 1 330.394 3.796 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423526517 1028499221 /nfs/dbraw/zinc/49/92/21/1028499221.db2.gz LLXZFGXSXCXVJZ-AWEZNQCLSA-N 2 1 329.513 3.835 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000236179900 1028499625 /nfs/dbraw/zinc/49/96/25/1028499625.db2.gz XQLCBSUWIBUKII-NSHDSACASA-N 2 1 331.685 3.663 20 0 EHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000236179900 1028499631 /nfs/dbraw/zinc/49/96/31/1028499631.db2.gz XQLCBSUWIBUKII-NSHDSACASA-N 2 1 331.685 3.663 20 0 EHADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]CC1 ZINC000414757352 1028573049 /nfs/dbraw/zinc/57/30/49/1028573049.db2.gz WWMAJFTXWJJHFH-SFHVURJKSA-N 2 1 334.467 3.599 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000074198916 1028602180 /nfs/dbraw/zinc/60/21/80/1028602180.db2.gz XZTXPQHNFMWSMB-UHFFFAOYSA-N 2 1 342.487 3.877 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000523851399 1028660148 /nfs/dbraw/zinc/66/01/48/1028660148.db2.gz OPXVWWLUCJXSPH-AEFFLSMTSA-N 2 1 333.520 3.586 20 0 EHADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523853133 1028661815 /nfs/dbraw/zinc/66/18/15/1028661815.db2.gz FLIPGHZYAGPEBC-FUHWJXTLSA-N 2 1 333.520 3.586 20 0 EHADMP CCN(C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CCCCC1 ZINC000523854333 1028662744 /nfs/dbraw/zinc/66/27/44/1028662744.db2.gz FZWGNRZBVUVGGB-AEFFLSMTSA-N 2 1 339.568 3.512 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000339257748 1028676675 /nfs/dbraw/zinc/67/66/75/1028676675.db2.gz QCWYFIRRZJGHOH-GOSISDBHSA-N 2 1 343.515 3.528 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000247047135 1028736502 /nfs/dbraw/zinc/73/65/02/1028736502.db2.gz NBPQSVSYAXHWBD-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773636 1028793309 /nfs/dbraw/zinc/79/33/09/1028793309.db2.gz DQKCZOAIGJYXIP-CHWSQXEVSA-N 2 1 343.334 3.641 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)cc3cccnc31)CC[NH2+]CC2 ZINC000424290438 1028931636 /nfs/dbraw/zinc/93/16/36/1028931636.db2.gz MOBYWJHZFAKTBY-CQSZACIVSA-N 2 1 329.875 3.852 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424292877 1028935643 /nfs/dbraw/zinc/93/56/43/1028935643.db2.gz ONJYONTXZDQQSY-MRXNPFEDSA-N 2 1 325.456 3.614 20 0 EHADMP CCc1csc([C@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275980 1028947864 /nfs/dbraw/zinc/94/78/64/1028947864.db2.gz BKGFOQUGHRPXDQ-HOTGVXAUSA-N 2 1 347.503 3.767 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(OC(F)(F)F)c1)CC[NH2+]CC2 ZINC000424370829 1029032176 /nfs/dbraw/zinc/03/21/76/1029032176.db2.gz CTQRYWUTXVVRKH-CYBMUJFWSA-N 2 1 328.378 3.549 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OCC ZINC000424383334 1029039397 /nfs/dbraw/zinc/03/93/97/1029039397.db2.gz UEOHROVWNMUIFO-QGZVFWFLSA-N 2 1 346.515 3.838 20 0 EHADMP CCC[C@@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245740073 1029219972 /nfs/dbraw/zinc/21/99/72/1029219972.db2.gz RKWNKEUYFUGLTI-WJMWBRGCSA-N 2 1 330.516 3.570 20 0 EHADMP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000272068726 1029298363 /nfs/dbraw/zinc/29/83/63/1029298363.db2.gz UXNKZFDLFLUUFK-FGZHOGPDSA-N 2 1 344.543 3.877 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000253351392 1029325926 /nfs/dbraw/zinc/32/59/26/1029325926.db2.gz JRPWFYXWZZVMJK-MJGOQNOKSA-N 2 1 344.547 3.669 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000583234336 1029349230 /nfs/dbraw/zinc/34/92/30/1029349230.db2.gz PEYPLXUJTDGSIQ-NMIHRBCNSA-N 2 1 343.559 3.892 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000583234336 1029349242 /nfs/dbraw/zinc/34/92/42/1029349242.db2.gz PEYPLXUJTDGSIQ-NMIHRBCNSA-N 2 1 343.559 3.892 20 0 EHADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000583234336 1029349254 /nfs/dbraw/zinc/34/92/54/1029349254.db2.gz PEYPLXUJTDGSIQ-NMIHRBCNSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272235464 1029374850 /nfs/dbraw/zinc/37/48/50/1029374850.db2.gz VNJOISGKLXNSKK-XMSQKQJNSA-N 2 1 348.490 3.963 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOC4(CCC4)C2)C3)cc1 ZINC000272283135 1029395894 /nfs/dbraw/zinc/39/58/94/1029395894.db2.gz APUSOTLAZZMSAR-XSDIEEQYSA-N 2 1 340.511 3.873 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOC4(CCC4)C2)C3)cc1 ZINC000272283133 1029396046 /nfs/dbraw/zinc/39/60/46/1029396046.db2.gz APUSOTLAZZMSAR-MXEMCNAFSA-N 2 1 340.511 3.873 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000897537258 1029425858 /nfs/dbraw/zinc/42/58/58/1029425858.db2.gz QTJHOYHGEQFYEJ-BPAFIMBUSA-N 2 1 327.472 3.773 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]CCCOC3CCCC3)CC2)cc1 ZINC000125251260 1029464130 /nfs/dbraw/zinc/46/41/30/1029464130.db2.gz CGPYYOMEXSQZCN-UHFFFAOYSA-N 2 1 330.516 3.632 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159891 1029533291 /nfs/dbraw/zinc/53/32/91/1029533291.db2.gz DORBKGKDQAEBJE-YVEFUNNKSA-N 2 1 335.289 3.510 20 0 EHADMP Cc1cc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000261942932 1029535460 /nfs/dbraw/zinc/53/54/60/1029535460.db2.gz DXJHNPBCAXKUJD-KRWDZBQOSA-N 2 1 344.421 3.676 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000261953086 1029539238 /nfs/dbraw/zinc/53/92/38/1029539238.db2.gz OHROVDMKOSQHRQ-CABCVRRESA-N 2 1 330.422 3.766 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000125542169 1029545876 /nfs/dbraw/zinc/54/58/76/1029545876.db2.gz UORHGMLDLXFUEQ-QGZVFWFLSA-N 2 1 342.483 3.948 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000125542169 1029545886 /nfs/dbraw/zinc/54/58/86/1029545886.db2.gz UORHGMLDLXFUEQ-QGZVFWFLSA-N 2 1 342.483 3.948 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262039197 1029555845 /nfs/dbraw/zinc/55/58/45/1029555845.db2.gz YAIDWUQUGLDZGO-OAHLLOKOSA-N 2 1 330.422 3.638 20 0 EHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000729687296 1029562444 /nfs/dbraw/zinc/56/24/44/1029562444.db2.gz ZWPQGUSQMCRJQB-UHFFFAOYSA-N 2 1 347.528 3.671 20 0 EHADMP CC1CC[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000125949537 1029638004 /nfs/dbraw/zinc/63/80/04/1029638004.db2.gz FVYOCCRRNFXDDF-IBGZPJMESA-N 2 1 326.488 3.601 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508695664 1029739346 /nfs/dbraw/zinc/73/93/46/1029739346.db2.gz ILHRQYRCVJETDL-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508695664 1029739354 /nfs/dbraw/zinc/73/93/54/1029739354.db2.gz ILHRQYRCVJETDL-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508695664 1029739362 /nfs/dbraw/zinc/73/93/62/1029739362.db2.gz ILHRQYRCVJETDL-AQCRLBJHSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721453 1029831654 /nfs/dbraw/zinc/83/16/54/1029831654.db2.gz UUEBQVWWPOMORJ-NMIHRBCNSA-N 2 1 344.543 3.938 20 0 EHADMP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000481735935 1029894161 /nfs/dbraw/zinc/89/41/61/1029894161.db2.gz BEFBKUXQDAQRGB-HIFRSBDPSA-N 2 1 325.294 3.638 20 0 EHADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000089513196 1029931911 /nfs/dbraw/zinc/93/19/11/1029931911.db2.gz QYELIWWHJQVRJY-CYBMUJFWSA-N 2 1 339.549 3.554 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCC[NH+]1C ZINC000120323752 1029961435 /nfs/dbraw/zinc/96/14/35/1029961435.db2.gz UBRYOHSSTRMOSK-IBGZPJMESA-N 2 1 344.478 3.565 20 0 EHADMP C[NH+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCC[N@@H+]1C ZINC000120323752 1029961452 /nfs/dbraw/zinc/96/14/52/1029961452.db2.gz UBRYOHSSTRMOSK-IBGZPJMESA-N 2 1 344.478 3.565 20 0 EHADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000657768399 1030020239 /nfs/dbraw/zinc/02/02/39/1030020239.db2.gz KYPLALRHYDHKKW-NRFANRHFSA-N 2 1 348.506 3.627 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708424 1030026806 /nfs/dbraw/zinc/02/68/06/1030026806.db2.gz ZJZGWUDYCQNYTR-FRQCXROJSA-N 2 1 336.907 3.621 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000525709502 1030047625 /nfs/dbraw/zinc/04/76/25/1030047625.db2.gz IFRUGSXADVIFFV-SJLPKXTDSA-N 2 1 334.504 3.837 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000525709502 1030047642 /nfs/dbraw/zinc/04/76/42/1030047642.db2.gz IFRUGSXADVIFFV-SJLPKXTDSA-N 2 1 334.504 3.837 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453309887 1030083064 /nfs/dbraw/zinc/08/30/64/1030083064.db2.gz DXZZOUQLXWCURB-GIVPXCGWSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531932157 1030086996 /nfs/dbraw/zinc/08/69/96/1030086996.db2.gz ZIKUHXVQSICMMW-IEBWSBKVSA-N 2 1 343.540 3.696 20 0 EHADMP CO[C@@H]([C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000453352753 1030145122 /nfs/dbraw/zinc/14/51/22/1030145122.db2.gz HPQSGQXVSFEKKX-AOUGCYQESA-N 2 1 330.516 3.833 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482023287 1030165133 /nfs/dbraw/zinc/16/51/33/1030165133.db2.gz ZJRSUINIBBUPGW-IBGZPJMESA-N 2 1 343.515 3.717 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163221960 1030173130 /nfs/dbraw/zinc/17/31/30/1030173130.db2.gz WXTFCPJVHHBLPL-AHRSYUTCSA-N 2 1 326.488 3.514 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163221960 1030173135 /nfs/dbraw/zinc/17/31/35/1030173135.db2.gz WXTFCPJVHHBLPL-AHRSYUTCSA-N 2 1 326.488 3.514 20 0 EHADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@]4(CCSC4)C3)CC2)cc1 ZINC000453373605 1030193537 /nfs/dbraw/zinc/19/35/37/1030193537.db2.gz SYNVDFLFKGFEOZ-HXUWFJFHSA-N 2 1 330.541 3.870 20 0 EHADMP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@]4(CCSC4)C3)CC2)cc1 ZINC000453373605 1030193544 /nfs/dbraw/zinc/19/35/44/1030193544.db2.gz SYNVDFLFKGFEOZ-HXUWFJFHSA-N 2 1 330.541 3.870 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(C(F)(F)F)c2)C1 ZINC000650722594 1030195086 /nfs/dbraw/zinc/19/50/86/1030195086.db2.gz XORDHHUVYUEDPL-BRWVUGGUSA-N 2 1 342.405 3.566 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453402207 1030212509 /nfs/dbraw/zinc/21/25/09/1030212509.db2.gz NLEDYKSBXOQFFZ-INIZCTEOSA-N 2 1 346.519 3.742 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CC3 ZINC000453407477 1030216552 /nfs/dbraw/zinc/21/65/52/1030216552.db2.gz RYCCHTZELDXGSR-INIZCTEOSA-N 2 1 325.500 3.798 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453406947 1030216907 /nfs/dbraw/zinc/21/69/07/1030216907.db2.gz ROSKDTRDUGFWAF-MRXNPFEDSA-N 2 1 326.488 3.706 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453406947 1030216919 /nfs/dbraw/zinc/21/69/19/1030216919.db2.gz ROSKDTRDUGFWAF-MRXNPFEDSA-N 3 1 326.488 3.706 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453406947 1030216932 /nfs/dbraw/zinc/21/69/32/1030216932.db2.gz ROSKDTRDUGFWAF-MRXNPFEDSA-N 3 1 326.488 3.706 20 0 EHADMP CCc1nocc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773174 1030227233 /nfs/dbraw/zinc/22/72/33/1030227233.db2.gz PYPONDIYMCJNGM-IBGZPJMESA-N 2 1 339.483 3.629 20 0 EHADMP CCc1nocc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773174 1030227244 /nfs/dbraw/zinc/22/72/44/1030227244.db2.gz PYPONDIYMCJNGM-IBGZPJMESA-N 2 1 339.483 3.629 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000482170659 1030242794 /nfs/dbraw/zinc/24/27/94/1030242794.db2.gz PFTUIXZFXHTHFQ-SFHVURJKSA-N 2 1 330.516 3.656 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000453434531 1030291646 /nfs/dbraw/zinc/29/16/46/1030291646.db2.gz UHJMIOSBUUCLFO-MDNUFGMLSA-N 2 1 349.522 3.823 20 0 EHADMP C[C@@H]([N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1(C)CC1 ZINC000091900659 1030331424 /nfs/dbraw/zinc/33/14/24/1030331424.db2.gz PCMPYSHDORUFFY-QGZVFWFLSA-N 2 1 329.532 3.837 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Sc2ccccn2)o1)C1CC1 ZINC000453598573 1030360062 /nfs/dbraw/zinc/36/00/62/1030360062.db2.gz PSMOPVPHMYFSLH-UHFFFAOYSA-N 2 1 331.485 3.790 20 0 EHADMP Fc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000157453009 1030542956 /nfs/dbraw/zinc/54/29/56/1030542956.db2.gz HGEAOWVZGXKOHS-QGZVFWFLSA-N 2 1 327.447 3.824 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000157453009 1030542973 /nfs/dbraw/zinc/54/29/73/1030542973.db2.gz HGEAOWVZGXKOHS-QGZVFWFLSA-N 2 1 327.447 3.824 20 0 EHADMP CCC[C@@H]1C[N@@H+](CCCn2ccnc2C)CCN1Cc1ccccc1 ZINC000343401456 1030703429 /nfs/dbraw/zinc/70/34/29/1030703429.db2.gz KMNUINAJCCFLFG-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](CNCc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000568067818 1030717832 /nfs/dbraw/zinc/71/78/32/1030717832.db2.gz KXXWPKJLHXMEFD-IBGZPJMESA-N 2 1 338.499 3.669 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000568067818 1030717839 /nfs/dbraw/zinc/71/78/39/1030717839.db2.gz KXXWPKJLHXMEFD-IBGZPJMESA-N 2 1 338.499 3.669 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000568067818 1030717850 /nfs/dbraw/zinc/71/78/50/1030717850.db2.gz KXXWPKJLHXMEFD-IBGZPJMESA-N 2 1 338.499 3.669 20 0 EHADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806579 1030812183 /nfs/dbraw/zinc/81/21/83/1030812183.db2.gz AOYKKUIBQGPKIL-HUUCEWRRSA-N 2 1 331.460 3.654 20 0 EHADMP CC[N@@H+](Cc1cc(COC)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160678 1030815249 /nfs/dbraw/zinc/81/52/49/1030815249.db2.gz BFGQAMIQUZSTET-UHFFFAOYSA-N 2 1 332.513 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000550930484 1030818025 /nfs/dbraw/zinc/81/80/25/1030818025.db2.gz HMHXUVOEDBHKFO-RISCZKNCSA-N 2 1 345.712 3.717 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000482949959 1030829937 /nfs/dbraw/zinc/82/99/37/1030829937.db2.gz WMOSCDVOEZHPCH-MAUKXSAKSA-N 2 1 334.467 3.660 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482954695 1030846559 /nfs/dbraw/zinc/84/65/59/1030846559.db2.gz XWVQXWQRXVNOMG-CEMLEFRQSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482954695 1030846588 /nfs/dbraw/zinc/84/65/88/1030846588.db2.gz XWVQXWQRXVNOMG-CEMLEFRQSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482954695 1030846616 /nfs/dbraw/zinc/84/66/16/1030846616.db2.gz XWVQXWQRXVNOMG-CEMLEFRQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000123044489 1030878125 /nfs/dbraw/zinc/87/81/25/1030878125.db2.gz UCVWJOUXBVYQDU-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000123044489 1030878143 /nfs/dbraw/zinc/87/81/43/1030878143.db2.gz UCVWJOUXBVYQDU-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044489 1030878165 /nfs/dbraw/zinc/87/81/65/1030878165.db2.gz UCVWJOUXBVYQDU-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123044489 1030878183 /nfs/dbraw/zinc/87/81/83/1030878183.db2.gz UCVWJOUXBVYQDU-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551000735 1030888561 /nfs/dbraw/zinc/88/85/61/1030888561.db2.gz SCECLARWHZCCJL-SFTDATJTSA-N 2 1 329.532 3.534 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(COC)o2)CC1)CC1CC1 ZINC000536142524 1030918444 /nfs/dbraw/zinc/91/84/44/1030918444.db2.gz XCPZYQYFYUNHNV-UHFFFAOYSA-N 2 1 334.504 3.760 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c2ccccc21 ZINC000551049810 1030981356 /nfs/dbraw/zinc/98/13/56/1030981356.db2.gz BFJUDMKACNBWGH-DLBZAZTESA-N 2 1 344.474 3.866 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000483130562 1030990514 /nfs/dbraw/zinc/99/05/14/1030990514.db2.gz XMBCGLJCTOPNKF-UYAOXDASSA-N 2 1 348.531 3.571 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000565079963 1031061099 /nfs/dbraw/zinc/06/10/99/1031061099.db2.gz ANSASYZUQXGHKW-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000565079963 1031061118 /nfs/dbraw/zinc/06/11/18/1031061118.db2.gz ANSASYZUQXGHKW-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000343484172 1031067892 /nfs/dbraw/zinc/06/78/92/1031067892.db2.gz YAWVDHWIKSCURM-VGOFRKELSA-N 2 1 336.479 3.857 20 0 EHADMP C[N@@H+](C[C@H]1CC=CCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551394686 1031295434 /nfs/dbraw/zinc/29/54/34/1031295434.db2.gz MNPSTNPWZNVFBK-PZJWPPBQSA-N 2 1 328.500 3.566 20 0 EHADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527871200 1031357498 /nfs/dbraw/zinc/35/74/98/1031357498.db2.gz SXOQVEGRDSJIMT-OUAUKWLOSA-N 2 1 347.247 3.861 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000343565967 1031423269 /nfs/dbraw/zinc/42/32/69/1031423269.db2.gz KFULKHQGDLGDKN-CQSZACIVSA-N 2 1 348.516 3.913 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)s2)cc1 ZINC000666997093 1031457033 /nfs/dbraw/zinc/45/70/33/1031457033.db2.gz WPABDUXXYKRTNP-MRXNPFEDSA-N 2 1 327.497 3.883 20 0 EHADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000527989308 1031548247 /nfs/dbraw/zinc/54/82/47/1031548247.db2.gz XGEYSBDSJKZDGG-YPAWHYETSA-N 2 1 335.495 3.923 20 0 EHADMP CCc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178033976 1031607523 /nfs/dbraw/zinc/60/75/23/1031607523.db2.gz BVEIKHQTOHRLOO-ZNMIVQPWSA-N 2 1 339.549 3.554 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000194895492 1031645138 /nfs/dbraw/zinc/64/51/38/1031645138.db2.gz WMLTUTHJRSWEBG-JKSUJKDBSA-N 2 1 334.529 3.560 20 0 EHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]([NH3+])CC4CC4)n3)cc2)CC1 ZINC000904101276 1031728545 /nfs/dbraw/zinc/72/85/45/1031728545.db2.gz NETUCZWZLJWQNE-SFHVURJKSA-N 2 1 340.471 3.768 20 0 EHADMP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000528188725 1031865144 /nfs/dbraw/zinc/86/51/44/1031865144.db2.gz BSURLWHTOOWBMV-UHFFFAOYSA-N 2 1 345.874 3.579 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3ccccn23)CC1)CC1CC1 ZINC000537849878 1031977554 /nfs/dbraw/zinc/97/75/54/1031977554.db2.gz XBJKQAFDUSVHCR-UHFFFAOYSA-N 2 1 340.515 3.668 20 0 EHADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000584259463 1032020468 /nfs/dbraw/zinc/02/04/68/1032020468.db2.gz NYHWVNADBQVTCA-FPOVZHCZSA-N 2 1 343.559 3.703 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OCc1cccs1 ZINC000904406212 1032021372 /nfs/dbraw/zinc/02/13/72/1032021372.db2.gz UOEFBWDVEHSLCE-OAHLLOKOSA-N 2 1 346.496 3.506 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000537943706 1032028355 /nfs/dbraw/zinc/02/83/55/1032028355.db2.gz XQSKKEYBCWLHDC-IHPCNDPISA-N 2 1 332.532 3.530 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449012110 1032054658 /nfs/dbraw/zinc/05/46/58/1032054658.db2.gz YOUFVPIXWGYGES-UHFFFAOYSA-N 2 1 332.536 3.942 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890305 1033340981 /nfs/dbraw/zinc/34/09/81/1033340981.db2.gz PIJPAUBYTKEVMI-VCBZYWHSSA-N 2 1 342.483 3.990 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890305 1033340991 /nfs/dbraw/zinc/34/09/91/1033340991.db2.gz PIJPAUBYTKEVMI-VCBZYWHSSA-N 2 1 342.483 3.990 20 0 EHADMP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685470083 1033367366 /nfs/dbraw/zinc/36/73/66/1033367366.db2.gz QTFQYWXTRCWTIN-HXUWFJFHSA-N 2 1 327.472 3.605 20 0 EHADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898250221 1033408295 /nfs/dbraw/zinc/40/82/95/1033408295.db2.gz OBXVABQKTBAMBH-IFMALSPDSA-N 2 1 335.495 3.890 20 0 EHADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000898250221 1033408303 /nfs/dbraw/zinc/40/83/03/1033408303.db2.gz OBXVABQKTBAMBH-IFMALSPDSA-N 2 1 335.495 3.890 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657918088 1033638701 /nfs/dbraw/zinc/63/87/01/1033638701.db2.gz AMHHDGFVEMDNAT-OWCLPIDISA-N 2 1 347.528 3.836 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046007933 1033710175 /nfs/dbraw/zinc/71/01/75/1033710175.db2.gz FYCNIJLSNSZWFC-QGZVFWFLSA-N 2 1 346.519 3.524 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4COC5(CCC5)C4)[C@H]3C2)cc1 ZINC000657970079 1033772276 /nfs/dbraw/zinc/77/22/76/1033772276.db2.gz ANIKYCIFMRIEGU-TUFLPTIASA-N 2 1 340.511 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000137138094 1033781430 /nfs/dbraw/zinc/78/14/30/1033781430.db2.gz LABKRISFMMXVNK-ZYHUDNBSSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000137138094 1033781440 /nfs/dbraw/zinc/78/14/40/1033781440.db2.gz LABKRISFMMXVNK-ZYHUDNBSSA-N 2 1 331.685 3.675 20 0 EHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657983050 1033808777 /nfs/dbraw/zinc/80/87/77/1033808777.db2.gz QTVLIWRQSPIBEY-HNNXBMFYSA-N 2 1 325.378 3.592 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1F ZINC000658167859 1034032525 /nfs/dbraw/zinc/03/25/25/1034032525.db2.gz QSUVPYYBMTWHKV-YLJYHZDGSA-N 2 1 334.479 3.756 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542815 1034148705 /nfs/dbraw/zinc/14/87/05/1034148705.db2.gz LEVIZTOHMZJANB-AEFFLSMTSA-N 2 1 327.447 3.611 20 0 EHADMP OC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000658282866 1034157344 /nfs/dbraw/zinc/15/73/44/1034157344.db2.gz QLVGXEBACBYHHB-CVBODCOQSA-N 2 1 342.527 3.570 20 0 EHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456253507 1034237161 /nfs/dbraw/zinc/23/71/61/1034237161.db2.gz BCTNZOWXLOGFQD-SFHVURJKSA-N 2 1 340.471 3.584 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421823208 1034242584 /nfs/dbraw/zinc/24/25/84/1034242584.db2.gz YVMWODMKFPCCDA-OAQYLSRUSA-N 2 1 349.522 3.626 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000534301523 1034361220 /nfs/dbraw/zinc/36/12/20/1034361220.db2.gz CXKJHWCZCVEUPJ-LJQANCHMSA-N 2 1 342.458 3.836 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170928 1034366543 /nfs/dbraw/zinc/36/65/43/1034366543.db2.gz ADXULIGGTIGIEU-FCHUYYIVSA-N 3 1 337.511 3.673 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340170928 1034366559 /nfs/dbraw/zinc/36/65/59/1034366559.db2.gz ADXULIGGTIGIEU-FCHUYYIVSA-N 3 1 337.511 3.673 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000534347131 1034418846 /nfs/dbraw/zinc/41/88/46/1034418846.db2.gz FNBRJBYYMXJQKT-UHFFFAOYSA-N 2 1 344.421 3.979 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594621 1034566561 /nfs/dbraw/zinc/56/65/61/1034566561.db2.gz CWGKVNYKIORENT-YLJYHZDGSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594621 1034566571 /nfs/dbraw/zinc/56/65/71/1034566571.db2.gz CWGKVNYKIORENT-YLJYHZDGSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594621 1034566574 /nfs/dbraw/zinc/56/65/74/1034566574.db2.gz CWGKVNYKIORENT-YLJYHZDGSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594621 1034566582 /nfs/dbraw/zinc/56/65/82/1034566582.db2.gz CWGKVNYKIORENT-YLJYHZDGSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594621 1034566586 /nfs/dbraw/zinc/56/65/86/1034566586.db2.gz CWGKVNYKIORENT-YLJYHZDGSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594621 1034566592 /nfs/dbraw/zinc/56/65/92/1034566592.db2.gz CWGKVNYKIORENT-YLJYHZDGSA-N 2 1 344.474 3.737 20 0 EHADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000375852016 1034721304 /nfs/dbraw/zinc/72/13/04/1034721304.db2.gz MXUHHXUQVLQLJD-CEWLAPEOSA-N 2 1 342.527 3.506 20 0 EHADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OCC(C)C ZINC000647498520 1035358388 /nfs/dbraw/zinc/35/83/88/1035358388.db2.gz JJWIHPFZKSUVAX-MSOLQXFVSA-N 2 1 334.504 3.679 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OCC(C)C ZINC000647498520 1035358394 /nfs/dbraw/zinc/35/83/94/1035358394.db2.gz JJWIHPFZKSUVAX-MSOLQXFVSA-N 2 1 334.504 3.679 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1(F)F ZINC000685849373 1035415668 /nfs/dbraw/zinc/41/56/68/1035415668.db2.gz GPJDIVPWQFRPSM-INIZCTEOSA-N 2 1 338.442 3.638 20 0 EHADMP Cc1ncsc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289813093 1035435715 /nfs/dbraw/zinc/43/57/15/1035435715.db2.gz ZUTAMCVSKKNBNW-SFHVURJKSA-N 2 1 329.513 3.843 20 0 EHADMP Cc1ncsc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289813093 1035435717 /nfs/dbraw/zinc/43/57/17/1035435717.db2.gz ZUTAMCVSKKNBNW-SFHVURJKSA-N 2 1 329.513 3.843 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000540660568 1035549554 /nfs/dbraw/zinc/54/95/54/1035549554.db2.gz OPTMZWCIHXUHFA-CXAGYDPISA-N 2 1 345.314 3.830 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000534869794 1035696881 /nfs/dbraw/zinc/69/68/81/1035696881.db2.gz LIUOHXWMLUWOBM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000534869794 1035696891 /nfs/dbraw/zinc/69/68/91/1035696891.db2.gz LIUOHXWMLUWOBM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000534869794 1035696899 /nfs/dbraw/zinc/69/68/99/1035696899.db2.gz LIUOHXWMLUWOBM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000534869794 1035696905 /nfs/dbraw/zinc/69/69/05/1035696905.db2.gz LIUOHXWMLUWOBM-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1Br ZINC000414150413 1035789418 /nfs/dbraw/zinc/78/94/18/1035789418.db2.gz UZMVFOZHCLWMHL-DVOMOZLQSA-N 2 1 325.294 3.576 20 0 EHADMP [NH3+][C@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CCC1 ZINC000571872919 1035792225 /nfs/dbraw/zinc/79/22/25/1035792225.db2.gz OZAOMGIIZOUXJY-KRWDZBQOSA-N 2 1 326.444 3.522 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000282448905 1035793696 /nfs/dbraw/zinc/79/36/96/1035793696.db2.gz NQMYBUSVFNWSJN-ACRUOGEOSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000282448905 1035793706 /nfs/dbraw/zinc/79/37/06/1035793706.db2.gz NQMYBUSVFNWSJN-ACRUOGEOSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282448905 1035793724 /nfs/dbraw/zinc/79/37/24/1035793724.db2.gz NQMYBUSVFNWSJN-ACRUOGEOSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000282448905 1035793733 /nfs/dbraw/zinc/79/37/33/1035793733.db2.gz NQMYBUSVFNWSJN-ACRUOGEOSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282448905 1035793742 /nfs/dbraw/zinc/79/37/42/1035793742.db2.gz NQMYBUSVFNWSJN-ACRUOGEOSA-N 3 1 341.543 3.504 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187281736 1035805057 /nfs/dbraw/zinc/80/50/57/1035805057.db2.gz JKMGCKXITHJBME-UXHICEINSA-N 2 1 339.483 3.720 20 0 EHADMP COC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(C(F)(F)F)c1 ZINC000414180635 1035933805 /nfs/dbraw/zinc/93/38/05/1035933805.db2.gz LKBBTHDDEVKESQ-KRWDZBQOSA-N 2 1 349.356 3.830 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623502858 1035953330 /nfs/dbraw/zinc/95/33/30/1035953330.db2.gz BGEXUCGODAAKMD-OAHLLOKOSA-N 2 1 325.294 3.720 20 0 EHADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688474 1035972903 /nfs/dbraw/zinc/97/29/03/1035972903.db2.gz KPQMSRYYTYRWHW-SFTDATJTSA-N 2 1 326.484 3.529 20 0 EHADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688474 1035972916 /nfs/dbraw/zinc/97/29/16/1035972916.db2.gz KPQMSRYYTYRWHW-SFTDATJTSA-N 2 1 326.484 3.529 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535083431 1035978242 /nfs/dbraw/zinc/97/82/42/1035978242.db2.gz PPQGLHDOIHQJIO-ZCNNSNEGSA-N 2 1 335.580 3.693 20 0 EHADMP CCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)n1 ZINC000892574525 1036218352 /nfs/dbraw/zinc/21/83/52/1036218352.db2.gz LFROYIOEBCGVIS-KRWDZBQOSA-N 2 1 340.515 3.733 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000414247669 1036251245 /nfs/dbraw/zinc/25/12/45/1036251245.db2.gz ULBUSEXEXIKVSR-IINYFYTJSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000414247669 1036251266 /nfs/dbraw/zinc/25/12/66/1036251266.db2.gz ULBUSEXEXIKVSR-IINYFYTJSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000414247673 1036251862 /nfs/dbraw/zinc/25/18/62/1036251862.db2.gz ULBUSEXEXIKVSR-YGRLFVJLSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000414247673 1036251876 /nfs/dbraw/zinc/25/18/76/1036251876.db2.gz ULBUSEXEXIKVSR-YGRLFVJLSA-N 2 1 331.685 3.675 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000190769495 1036292887 /nfs/dbraw/zinc/29/28/87/1036292887.db2.gz OALJWIMANAOMSS-UHFFFAOYSA-N 2 1 339.483 3.612 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000472573910 1036411379 /nfs/dbraw/zinc/41/13/79/1036411379.db2.gz LNLNYOUKNSMICE-LEWJYISDSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000472573910 1036411391 /nfs/dbraw/zinc/41/13/91/1036411391.db2.gz LNLNYOUKNSMICE-LEWJYISDSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000472573910 1036411399 /nfs/dbraw/zinc/41/13/99/1036411399.db2.gz LNLNYOUKNSMICE-LEWJYISDSA-N 2 1 330.516 3.585 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000541546704 1036427341 /nfs/dbraw/zinc/42/73/41/1036427341.db2.gz JVWLCWGPBBIRNS-IIMDRIAPSA-N 2 1 330.516 3.822 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000398006624 1036483519 /nfs/dbraw/zinc/48/35/19/1036483519.db2.gz BEWRDIWEPSZMKH-UGKGYDQZSA-N 2 1 338.495 3.956 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000398006624 1036483532 /nfs/dbraw/zinc/48/35/32/1036483532.db2.gz BEWRDIWEPSZMKH-UGKGYDQZSA-N 2 1 338.495 3.956 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1)C(C)C ZINC000175819222 1036484013 /nfs/dbraw/zinc/48/40/13/1036484013.db2.gz XRVGNXRUYQGLBW-QGZVFWFLSA-N 2 1 347.547 3.623 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000192723121 1036542031 /nfs/dbraw/zinc/54/20/31/1036542031.db2.gz HEFBZJVXRWHHRQ-HXUWFJFHSA-N 2 1 349.950 3.893 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000589640996 1036570448 /nfs/dbraw/zinc/57/04/48/1036570448.db2.gz DSJWTWSCDKNTNK-UHFFFAOYSA-N 2 1 336.483 3.705 20 0 EHADMP Fc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)co2)cc1 ZINC000193081263 1036577907 /nfs/dbraw/zinc/57/79/07/1036577907.db2.gz WGJFJXWZLZRWGO-UHFFFAOYSA-N 2 1 343.446 3.789 20 0 EHADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168395393 1036647592 /nfs/dbraw/zinc/64/75/92/1036647592.db2.gz YKNASMJZNACXSG-UHFFFAOYSA-N 2 1 342.405 3.891 20 0 EHADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168395393 1036647612 /nfs/dbraw/zinc/64/76/12/1036647612.db2.gz YKNASMJZNACXSG-UHFFFAOYSA-N 2 1 342.405 3.891 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cccnc1 ZINC000414344431 1036799036 /nfs/dbraw/zinc/79/90/36/1036799036.db2.gz ZMEWWRZBHSJJPO-CEMLEFRQSA-N 2 1 349.522 3.859 20 0 EHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC000177298275 1036810214 /nfs/dbraw/zinc/81/02/14/1036810214.db2.gz RJNRERFCMJHWET-SFHVURJKSA-N 2 1 339.527 3.764 20 0 EHADMP CC1CC[NH+](CCC[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000302897520 1036831181 /nfs/dbraw/zinc/83/11/81/1036831181.db2.gz MHXBUMFNOYDCQA-UHFFFAOYSA-N 2 1 330.394 3.797 20 0 EHADMP CCCCCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000539545345 1036895344 /nfs/dbraw/zinc/89/53/44/1036895344.db2.gz SXIOINGBKJTHGE-UHFFFAOYSA-N 2 1 332.488 3.616 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000090220894 1036949440 /nfs/dbraw/zinc/94/94/40/1036949440.db2.gz MDMMJNXHMOPRAG-SRDOKRBCSA-N 2 1 348.556 3.557 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000590786318 1037048909 /nfs/dbraw/zinc/04/89/09/1037048909.db2.gz QGMVUTRLQQUBQU-UHFFFAOYSA-N 2 1 329.463 3.926 20 0 EHADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786669 1037054310 /nfs/dbraw/zinc/05/43/10/1037054310.db2.gz JPMWTDPNLUYMDW-GOSISDBHSA-N 2 1 345.531 3.683 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145807 1037106029 /nfs/dbraw/zinc/10/60/29/1037106029.db2.gz HKHIBUQJLBJMAT-PZJWPPBQSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000542145807 1037106037 /nfs/dbraw/zinc/10/60/37/1037106037.db2.gz HKHIBUQJLBJMAT-PZJWPPBQSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145807 1037106048 /nfs/dbraw/zinc/10/60/48/1037106048.db2.gz HKHIBUQJLBJMAT-PZJWPPBQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739435 1037139983 /nfs/dbraw/zinc/13/99/83/1037139983.db2.gz GQZFQMJVLQDQPY-QFBILLFUSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739435 1037139984 /nfs/dbraw/zinc/13/99/84/1037139984.db2.gz GQZFQMJVLQDQPY-QFBILLFUSA-N 2 1 334.467 3.896 20 0 EHADMP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2O1 ZINC000539820291 1037242343 /nfs/dbraw/zinc/24/23/43/1037242343.db2.gz AVGTVDYIZDVSEU-LJQANCHMSA-N 2 1 328.500 3.850 20 0 EHADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2O1 ZINC000539820291 1037242358 /nfs/dbraw/zinc/24/23/58/1037242358.db2.gz AVGTVDYIZDVSEU-LJQANCHMSA-N 2 1 328.500 3.850 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@@H]2CCC[C@H]21 ZINC000573116185 1037290768 /nfs/dbraw/zinc/29/07/68/1037290768.db2.gz SNRRXMWJVZQCMC-SLFFLAALSA-N 2 1 337.467 3.836 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)C[C@H]1c1ccccc1 ZINC000423420487 1037350755 /nfs/dbraw/zinc/35/07/55/1037350755.db2.gz XFBRIFICYNNYIC-UGKGYDQZSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)C[C@H]1c1ccccc1 ZINC000423420487 1037350797 /nfs/dbraw/zinc/35/07/97/1037350797.db2.gz XFBRIFICYNNYIC-UGKGYDQZSA-N 2 1 335.495 3.970 20 0 EHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000310923057 1037404902 /nfs/dbraw/zinc/40/49/02/1037404902.db2.gz CQYBRRXFIBASMU-UHFFFAOYSA-N 2 1 345.487 3.750 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@H]21 ZINC000462793884 1037405069 /nfs/dbraw/zinc/40/50/69/1037405069.db2.gz SRXJRSGCJMSUNO-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@H]21 ZINC000462793884 1037405078 /nfs/dbraw/zinc/40/50/78/1037405078.db2.gz SRXJRSGCJMSUNO-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC[C@H]21 ZINC000462793884 1037405083 /nfs/dbraw/zinc/40/50/83/1037405083.db2.gz SRXJRSGCJMSUNO-RTBURBONSA-N 2 1 344.499 3.558 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCc3ccco3)CCCC2)CC1 ZINC000532515472 1037557437 /nfs/dbraw/zinc/55/74/37/1037557437.db2.gz CFBQCRIONBHSGM-QGZVFWFLSA-N 2 1 334.504 3.614 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000303576566 1037574252 /nfs/dbraw/zinc/57/42/52/1037574252.db2.gz JTZACVSEWDOAOT-MJGOQNOKSA-N 2 1 345.531 3.793 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000303576566 1037574266 /nfs/dbraw/zinc/57/42/66/1037574266.db2.gz JTZACVSEWDOAOT-MJGOQNOKSA-N 2 1 345.531 3.793 20 0 EHADMP CC[NH2+]Cc1cccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000415927388 1037667227 /nfs/dbraw/zinc/66/72/27/1037667227.db2.gz CXNVUCYMZCNEPN-UHFFFAOYSA-N 2 1 346.519 3.572 20 0 EHADMP COC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942429 1037736359 /nfs/dbraw/zinc/73/63/59/1037736359.db2.gz ANCYQIKHGMHRPM-DLBZAZTESA-N 2 1 326.912 3.984 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000493979347 1037767205 /nfs/dbraw/zinc/76/72/05/1037767205.db2.gz YYLZLGOERSDFJA-QHAWAJNXSA-N 2 1 342.527 3.964 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000463143920 1037791215 /nfs/dbraw/zinc/79/12/15/1037791215.db2.gz OSSHWMLPYHFEGD-MRXNPFEDSA-N 2 1 349.485 3.647 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463149288 1037821036 /nfs/dbraw/zinc/82/10/36/1037821036.db2.gz YKHLSZUVOMVMPR-RXVVDRJESA-N 2 1 338.495 3.880 20 0 EHADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463149288 1037821061 /nfs/dbraw/zinc/82/10/61/1037821061.db2.gz YKHLSZUVOMVMPR-RXVVDRJESA-N 2 1 338.495 3.880 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000584557346 1038009223 /nfs/dbraw/zinc/00/92/23/1038009223.db2.gz UCEPEAMTAOEDIW-OXJNMPFZSA-N 2 1 344.499 3.606 20 0 EHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000123576705 1038041098 /nfs/dbraw/zinc/04/10/98/1038041098.db2.gz LHGWDGBOCWWGER-MRXNPFEDSA-N 2 1 336.439 3.530 20 0 EHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000123576705 1038041121 /nfs/dbraw/zinc/04/11/21/1038041121.db2.gz LHGWDGBOCWWGER-MRXNPFEDSA-N 2 1 336.439 3.530 20 0 EHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000124526653 1038199996 /nfs/dbraw/zinc/19/99/96/1038199996.db2.gz QDJFRXLGKDLJIK-IBGZPJMESA-N 2 1 337.939 3.654 20 0 EHADMP Cc1nccn1CCCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000124862651 1038244741 /nfs/dbraw/zinc/24/47/41/1038244741.db2.gz CONDQDBHPALYNT-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000124862651 1038244757 /nfs/dbraw/zinc/24/47/57/1038244757.db2.gz CONDQDBHPALYNT-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000124862651 1038244773 /nfs/dbraw/zinc/24/47/73/1038244773.db2.gz CONDQDBHPALYNT-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP c1ccc(OCC2CC2)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538799621 1038535938 /nfs/dbraw/zinc/53/59/38/1038535938.db2.gz OTNDYDZARTWPQZ-WIYYLYMNSA-N 2 1 340.511 3.924 20 0 EHADMP CSCc1cnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000552030104 1038644279 /nfs/dbraw/zinc/64/42/79/1038644279.db2.gz JUPVIACCIDATAU-UHFFFAOYSA-N 2 1 327.563 3.558 20 0 EHADMP CSCc1cnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000552030104 1038644286 /nfs/dbraw/zinc/64/42/86/1038644286.db2.gz JUPVIACCIDATAU-UHFFFAOYSA-N 2 1 327.563 3.558 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000539039223 1038649357 /nfs/dbraw/zinc/64/93/57/1038649357.db2.gz AGJMJPYGFUMHHZ-LALPHHSUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000539039223 1038649364 /nfs/dbraw/zinc/64/93/64/1038649364.db2.gz AGJMJPYGFUMHHZ-LALPHHSUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000539070970 1038669430 /nfs/dbraw/zinc/66/94/30/1038669430.db2.gz ATARXNJDTMKMMK-ZRGWGRIASA-N 2 1 336.907 3.806 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3o2)[C@H](C)C1 ZINC000539081459 1038675232 /nfs/dbraw/zinc/67/52/32/1038675232.db2.gz LBHZLYNINDCCFY-XLIONFOSSA-N 2 1 344.499 3.702 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378547217 1038713583 /nfs/dbraw/zinc/71/35/83/1038713583.db2.gz GMTGWTFJZQCFKY-LFGUQSLTSA-N 2 1 342.483 3.592 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924689806 1038754189 /nfs/dbraw/zinc/75/41/89/1038754189.db2.gz ZCFVNUBFYDNFJR-SBHAEUEKSA-N 2 1 329.532 3.895 20 0 EHADMP CCN1CCC([NH2+]CC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000539295503 1038764167 /nfs/dbraw/zinc/76/41/67/1038764167.db2.gz PPGVBXDEAVTXCS-UHFFFAOYSA-N 2 1 343.559 3.753 20 0 EHADMP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000338437261 1038832914 /nfs/dbraw/zinc/83/29/14/1038832914.db2.gz HTLFPSSLKLJGII-UHFFFAOYSA-N 2 1 338.499 3.502 20 0 EHADMP Fc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)sc2c1 ZINC000432739887 1038975991 /nfs/dbraw/zinc/97/59/91/1038975991.db2.gz BWFUKOKXQDVQBV-UHFFFAOYSA-N 2 1 333.476 3.743 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552252303 1039131218 /nfs/dbraw/zinc/13/12/18/1039131218.db2.gz IBTIEHDHAZHLEY-AHCXZYCDSA-N 2 1 336.907 3.960 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000552253706 1039133714 /nfs/dbraw/zinc/13/37/14/1039133714.db2.gz QMEDCSLBTQELQQ-IPMKNSEASA-N 2 1 346.515 3.837 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000898517996 1039185714 /nfs/dbraw/zinc/18/57/14/1039185714.db2.gz FUFZKBLMKUNNNN-FLNBJYBHSA-N 2 1 342.527 3.833 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000898517623 1039186006 /nfs/dbraw/zinc/18/60/06/1039186006.db2.gz AFYPOOPRCUSKDD-BHIFYINESA-N 2 1 335.495 3.780 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898517779 1039187261 /nfs/dbraw/zinc/18/72/61/1039187261.db2.gz SQLWSGLKCRYNTQ-QYZOEREBSA-N 2 1 340.467 3.679 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000552362508 1039225450 /nfs/dbraw/zinc/22/54/50/1039225450.db2.gz AAMLHTKLFAGYMO-KRWDZBQOSA-N 2 1 331.504 3.589 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000237431379 1039364009 /nfs/dbraw/zinc/36/40/09/1039364009.db2.gz VPAMMSLFTALKLX-ZDUSSCGKSA-N 2 1 344.459 3.880 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000237518613 1039380695 /nfs/dbraw/zinc/38/06/95/1039380695.db2.gz ONKGIBYFGVLKJH-SFHVURJKSA-N 2 1 345.531 3.586 20 0 EHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193618 1039474922 /nfs/dbraw/zinc/47/49/22/1039474922.db2.gz QQOPBKYOAWXYGZ-JXFKEZNVSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000310193618 1039474926 /nfs/dbraw/zinc/47/49/26/1039474926.db2.gz QQOPBKYOAWXYGZ-JXFKEZNVSA-N 2 1 327.447 3.784 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCC4CCOCC4)CC[C@H]32)cc1 ZINC000432830621 1039479126 /nfs/dbraw/zinc/47/91/26/1039479126.db2.gz ROIQIDLLFULENM-FGZHOGPDSA-N 2 1 342.527 3.790 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCC4CCOCC4)CC[C@H]32)cc1 ZINC000432830621 1039479131 /nfs/dbraw/zinc/47/91/31/1039479131.db2.gz ROIQIDLLFULENM-FGZHOGPDSA-N 2 1 342.527 3.790 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H]3CCCNc4ccccc43)CC2)[nH+]1 ZINC000345053125 1039601464 /nfs/dbraw/zinc/60/14/64/1039601464.db2.gz ZHBPTPIBIQQIKJ-FQEVSTJZSA-N 2 1 336.483 3.895 20 0 EHADMP CCCn1nccc1CN(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667683886 1039619740 /nfs/dbraw/zinc/61/97/40/1039619740.db2.gz CRAKCYHLIJZNGC-HXUWFJFHSA-N 2 1 340.515 3.637 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000480609815 1039749422 /nfs/dbraw/zinc/74/94/22/1039749422.db2.gz KETWYJLHZXGBQB-VMBXEPDQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000480609815 1039749441 /nfs/dbraw/zinc/74/94/41/1039749441.db2.gz KETWYJLHZXGBQB-VMBXEPDQSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000480609815 1039749460 /nfs/dbraw/zinc/74/94/60/1039749460.db2.gz KETWYJLHZXGBQB-VMBXEPDQSA-N 2 1 343.559 3.750 20 0 EHADMP CCC[NH+]1CCC(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152950158 1039816322 /nfs/dbraw/zinc/81/63/22/1039816322.db2.gz ZTVIAGGETUMEPU-OAQYLSRUSA-N 2 1 329.532 3.505 20 0 EHADMP Clc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957882 1039970329 /nfs/dbraw/zinc/97/03/29/1039970329.db2.gz KURMXQHSBUWLMY-UHFFFAOYSA-N 2 1 343.298 3.538 20 0 EHADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549821620 1039981809 /nfs/dbraw/zinc/98/18/09/1039981809.db2.gz CXMQDQLIBGHDRI-MHJFOBGBSA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000549821620 1039981821 /nfs/dbraw/zinc/98/18/21/1039981821.db2.gz CXMQDQLIBGHDRI-MHJFOBGBSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667786524 1040191875 /nfs/dbraw/zinc/19/18/75/1040191875.db2.gz SYZYSJGPZRXQFC-HBGVWJBISA-N 2 1 328.500 3.718 20 0 EHADMP CCCc1cccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000479438876 1040234048 /nfs/dbraw/zinc/23/40/48/1040234048.db2.gz OGGKTEALZHPLLV-UHFFFAOYSA-N 2 1 338.499 3.805 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000481020530 1040279124 /nfs/dbraw/zinc/27/91/24/1040279124.db2.gz HPGRMZJHEFCDJF-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000481020530 1040279145 /nfs/dbraw/zinc/27/91/45/1040279145.db2.gz HPGRMZJHEFCDJF-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000553661132 1040287944 /nfs/dbraw/zinc/28/79/44/1040287944.db2.gz MBWGLLDVJQMRFO-UHFFFAOYSA-N 2 1 337.305 3.722 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000310875846 1040312114 /nfs/dbraw/zinc/31/21/14/1040312114.db2.gz GWVHXNQYGJXNFM-SFTDATJTSA-N 2 1 342.527 3.838 20 0 EHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479548411 1040361340 /nfs/dbraw/zinc/36/13/40/1040361340.db2.gz ZGZANYUTGNNUBC-WIYYLYMNSA-N 2 1 328.500 3.601 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000479596208 1040438425 /nfs/dbraw/zinc/43/84/25/1040438425.db2.gz VRJLEPWRGCDWQP-UHFFFAOYSA-N 2 1 333.476 3.723 20 0 EHADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000668694001 1040488651 /nfs/dbraw/zinc/48/86/51/1040488651.db2.gz XSKQGVWPWNCTRI-PZJWPPBQSA-N 2 1 330.516 3.659 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294185 1040619008 /nfs/dbraw/zinc/61/90/08/1040619008.db2.gz KBNJGZBTLSSNQV-SZVBFZGTSA-N 2 1 334.479 3.792 20 0 EHADMP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988615 1040625069 /nfs/dbraw/zinc/62/50/69/1040625069.db2.gz QECGLOAECNSUKM-YKVJVKFWSA-N 2 1 327.497 3.658 20 0 EHADMP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988615 1040625073 /nfs/dbraw/zinc/62/50/73/1040625073.db2.gz QECGLOAECNSUKM-YKVJVKFWSA-N 2 1 327.497 3.658 20 0 EHADMP C(=C/c1ccncc1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000487278872 1040873418 /nfs/dbraw/zinc/87/34/18/1040873418.db2.gz ULXPWODPCLIDRL-ZCWHJJKTSA-N 2 1 333.479 3.880 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666996781 1041037443 /nfs/dbraw/zinc/03/74/43/1041037443.db2.gz FQVWWNHJDWWUDV-LBPRGKRZSA-N 2 1 343.696 3.867 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162880741 1041045114 /nfs/dbraw/zinc/04/51/14/1041045114.db2.gz NSVHTUNOCHZLDK-KSZLIROESA-N 2 1 334.504 3.625 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CCCCC2)cc1 ZINC000481556941 1041067418 /nfs/dbraw/zinc/06/74/18/1041067418.db2.gz MFQOLKZCBXFLJQ-YLJYHZDGSA-N 2 1 330.516 3.827 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000390609022 1041119681 /nfs/dbraw/zinc/11/96/81/1041119681.db2.gz WKLMSEDJYMLSNM-JPGZLTHCSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1cc(Cl)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145032 1041122779 /nfs/dbraw/zinc/12/27/79/1041122779.db2.gz KFAMHBOVBWWGNJ-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000500385781 1041300782 /nfs/dbraw/zinc/30/07/82/1041300782.db2.gz SERATMASZNXNEE-LJQANCHMSA-N 2 1 338.495 3.869 20 0 EHADMP C[N@H+](CCSc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542420 1041645402 /nfs/dbraw/zinc/64/54/02/1041645402.db2.gz QGTCIVZJLFGTKO-YIONKMFJSA-N 2 1 326.456 3.614 20 0 EHADMP C[N@@H+](CCSc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542420 1041645406 /nfs/dbraw/zinc/64/54/06/1041645406.db2.gz QGTCIVZJLFGTKO-YIONKMFJSA-N 2 1 326.456 3.614 20 0 EHADMP C[NH+](CCSc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542420 1041645414 /nfs/dbraw/zinc/64/54/14/1041645414.db2.gz QGTCIVZJLFGTKO-YIONKMFJSA-N 2 1 326.456 3.614 20 0 EHADMP C[NH+](CCSc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660542420 1041645420 /nfs/dbraw/zinc/64/54/20/1041645420.db2.gz QGTCIVZJLFGTKO-YIONKMFJSA-N 2 1 326.456 3.614 20 0 EHADMP c1cnn(-c2cccc(C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)c2)c1 ZINC000660677498 1041769033 /nfs/dbraw/zinc/76/90/33/1041769033.db2.gz MSDVAVULQXBOFZ-UHFFFAOYSA-N 2 1 346.478 3.627 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4cnccc4o3)C2)CC1 ZINC000651625860 1041805871 /nfs/dbraw/zinc/80/58/71/1041805871.db2.gz VDWXIQGLDQOPIH-QGZVFWFLSA-N 2 1 327.472 3.772 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4cnccc4o3)C2)CC1 ZINC000651625860 1041805877 /nfs/dbraw/zinc/80/58/77/1041805877.db2.gz VDWXIQGLDQOPIH-QGZVFWFLSA-N 2 1 327.472 3.772 20 0 EHADMP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355274 1042415790 /nfs/dbraw/zinc/41/57/90/1042415790.db2.gz SSRDZSHWRMDEGD-YOEHRIQHSA-N 2 1 345.512 3.768 20 0 EHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355274 1042415793 /nfs/dbraw/zinc/41/57/93/1042415793.db2.gz SSRDZSHWRMDEGD-YOEHRIQHSA-N 2 1 345.512 3.768 20 0 EHADMP COc1c(F)cccc1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001143522069 1042536807 /nfs/dbraw/zinc/53/68/07/1042536807.db2.gz QEAATVDJPYZUPQ-UHFFFAOYSA-N 2 1 342.458 3.931 20 0 EHADMP COc1c(F)cccc1C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001143522069 1042536811 /nfs/dbraw/zinc/53/68/11/1042536811.db2.gz QEAATVDJPYZUPQ-UHFFFAOYSA-N 2 1 342.458 3.931 20 0 EHADMP c1ccc2oc([C@H]3CCC[N@H+](Cc4cccc5c4CC[NH2+]C5)C3)nc2c1 ZINC000662261307 1042640698 /nfs/dbraw/zinc/64/06/98/1042640698.db2.gz XNVDOPUWJIWTQZ-SFHVURJKSA-N 2 1 347.462 3.853 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263444 1042641796 /nfs/dbraw/zinc/64/17/96/1042641796.db2.gz BHOLYCUBBJYTHP-XJKSGUPXSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000662263444 1042641801 /nfs/dbraw/zinc/64/18/01/1042641801.db2.gz BHOLYCUBBJYTHP-XJKSGUPXSA-N 2 1 326.456 3.521 20 0 EHADMP c1ccc2c(CC[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nsc2c1 ZINC000662295967 1042666470 /nfs/dbraw/zinc/66/64/70/1042666470.db2.gz XATRBBVXBJAIQE-INIZCTEOSA-N 2 1 329.513 3.550 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1CCC[NH3+] ZINC000662315517 1042681047 /nfs/dbraw/zinc/68/10/47/1042681047.db2.gz SBCCGDSJEPTYPW-RHSMWYFYSA-N 2 1 337.895 3.508 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314050 1042682226 /nfs/dbraw/zinc/68/22/26/1042682226.db2.gz LUZXFDVJBZBBDQ-DNVCBOLYSA-N 2 1 327.472 3.989 20 0 EHADMP FC(F)COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344972 1042730143 /nfs/dbraw/zinc/73/01/43/1042730143.db2.gz DIIDTYQWOXDPBB-KRWDZBQOSA-N 2 1 338.442 3.542 20 0 EHADMP FC(F)(F)c1cscc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344390 1042730673 /nfs/dbraw/zinc/73/06/73/1042730673.db2.gz SMGTYZALIHWEKO-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1cscc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344390 1042730679 /nfs/dbraw/zinc/73/06/79/1042730679.db2.gz SMGTYZALIHWEKO-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1cscc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344390 1042730685 /nfs/dbraw/zinc/73/06/85/1042730685.db2.gz SMGTYZALIHWEKO-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP c1c[nH]c([C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466646 1042889987 /nfs/dbraw/zinc/88/99/87/1042889987.db2.gz WUYITQCKYSQNTB-HKUYNNGSSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466646 1042889990 /nfs/dbraw/zinc/88/99/90/1042889990.db2.gz WUYITQCKYSQNTB-HKUYNNGSSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466646 1042889993 /nfs/dbraw/zinc/88/99/93/1042889993.db2.gz WUYITQCKYSQNTB-HKUYNNGSSA-N 2 1 330.520 3.743 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468903 1042893996 /nfs/dbraw/zinc/89/39/96/1042893996.db2.gz NGTQLMBJMBMTNH-PXNSSMCTSA-N 2 1 330.516 3.728 20 0 EHADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663467769 1042895673 /nfs/dbraw/zinc/89/56/73/1042895673.db2.gz HZORTKDSSOVXJC-HOTGVXAUSA-N 2 1 333.545 3.795 20 0 EHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470232 1042898618 /nfs/dbraw/zinc/89/86/18/1042898618.db2.gz UCDCZEOOPNRARD-AZUAARDMSA-N 2 1 328.500 3.920 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H](C)C1 ZINC000663478060 1042907321 /nfs/dbraw/zinc/90/73/21/1042907321.db2.gz JZUQFEANWZXBAF-HUUCEWRRSA-N 2 1 338.458 3.692 20 0 EHADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925778599 1042909983 /nfs/dbraw/zinc/90/99/83/1042909983.db2.gz JVVSIKASLUFBMQ-ZBFHGGJFSA-N 2 1 326.431 3.617 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167838689 1043044901 /nfs/dbraw/zinc/04/49/01/1043044901.db2.gz VZSWWYBSDYENPP-IRLDBZIGSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167838689 1043044908 /nfs/dbraw/zinc/04/49/08/1043044908.db2.gz VZSWWYBSDYENPP-IRLDBZIGSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167838689 1043044915 /nfs/dbraw/zinc/04/49/15/1043044915.db2.gz VZSWWYBSDYENPP-IRLDBZIGSA-N 3 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001167838689 1043044922 /nfs/dbraw/zinc/04/49/22/1043044922.db2.gz VZSWWYBSDYENPP-IRLDBZIGSA-N 2 1 345.575 3.951 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001167838689 1043044928 /nfs/dbraw/zinc/04/49/28/1043044928.db2.gz VZSWWYBSDYENPP-IRLDBZIGSA-N 2 1 345.575 3.951 20 0 EHADMP Cc1cc(CO)cc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH+]1 ZINC000663619726 1043086353 /nfs/dbraw/zinc/08/63/53/1043086353.db2.gz GAMQLROIUSWMRD-INIZCTEOSA-N 2 1 325.456 3.520 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278960881 1043089919 /nfs/dbraw/zinc/08/99/19/1043089919.db2.gz MJJIFILXWHHDHU-ZIAGYGMSSA-N 2 1 335.398 3.706 20 0 EHADMP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278963672 1043095344 /nfs/dbraw/zinc/09/53/44/1043095344.db2.gz MRGAUSZQJIPPKT-CABCVRRESA-N 2 1 339.439 3.941 20 0 EHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000279006325 1043175065 /nfs/dbraw/zinc/17/50/65/1043175065.db2.gz SDRVXQUEXLGLAD-SJLPKXTDSA-N 2 1 325.456 3.566 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3c3cccnc3)CC2)C1 ZINC000344244265 1043507241 /nfs/dbraw/zinc/50/72/41/1043507241.db2.gz JVAOLHPMEYJPBM-UMSONDCASA-N 2 1 343.515 3.544 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000344298344 1043619935 /nfs/dbraw/zinc/61/99/35/1043619935.db2.gz NSOCGCMBRFMKIO-AWEZNQCLSA-N 2 1 344.890 3.747 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000162845945 1043801011 /nfs/dbraw/zinc/80/10/11/1043801011.db2.gz JENVDAAQCMJVOL-ZNMIVQPWSA-N 2 1 326.431 3.505 20 0 EHADMP Cc1cc(CO)cc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741497 1043892535 /nfs/dbraw/zinc/89/25/35/1043892535.db2.gz PHSMEJCVZOMOOP-HKUYNNGSSA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741497 1043892554 /nfs/dbraw/zinc/89/25/54/1043892554.db2.gz PHSMEJCVZOMOOP-HKUYNNGSSA-N 2 1 339.483 3.595 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000512194266 1043987171 /nfs/dbraw/zinc/98/71/71/1043987171.db2.gz HKEISMSBOCQPJS-GOSISDBHSA-N 2 1 329.532 3.839 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512213053 1044171797 /nfs/dbraw/zinc/17/17/97/1044171797.db2.gz NLJYQWNUCRTTTG-ZWKOTPCHSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512213053 1044171805 /nfs/dbraw/zinc/17/18/05/1044171805.db2.gz NLJYQWNUCRTTTG-ZWKOTPCHSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512213053 1044171812 /nfs/dbraw/zinc/17/18/12/1044171812.db2.gz NLJYQWNUCRTTTG-ZWKOTPCHSA-N 2 1 346.563 3.631 20 0 EHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512213053 1044171821 /nfs/dbraw/zinc/17/18/21/1044171821.db2.gz NLJYQWNUCRTTTG-ZWKOTPCHSA-N 2 1 346.563 3.631 20 0 EHADMP CCC1(CC)C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCS1 ZINC000344750720 1044385930 /nfs/dbraw/zinc/38/59/30/1044385930.db2.gz IPJPMIZGZHFJKA-UHFFFAOYSA-N 2 1 330.501 3.683 20 0 EHADMP CCC[N@H+](C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1C=CCCC1 ZINC000512282642 1044541565 /nfs/dbraw/zinc/54/15/65/1044541565.db2.gz MRXPFNGXTZCDEP-SFHVURJKSA-N 2 1 328.504 3.883 20 0 EHADMP CCC[N@@H+](C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1C=CCCC1 ZINC000512282642 1044541574 /nfs/dbraw/zinc/54/15/74/1044541574.db2.gz MRXPFNGXTZCDEP-SFHVURJKSA-N 2 1 328.504 3.883 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000261609132 1044643245 /nfs/dbraw/zinc/64/32/45/1044643245.db2.gz BQVHKUIKEBLUAE-FQEVSTJZSA-N 2 1 328.431 3.575 20 0 EHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000279862889 1044755333 /nfs/dbraw/zinc/75/53/33/1044755333.db2.gz CNNANPLDNPUKJF-LBPRGKRZSA-N 2 1 325.884 3.507 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000307964251 1125676804 /nfs/dbraw/zinc/67/68/04/1125676804.db2.gz BKZHZKRLUWIUAV-OXJNMPFZSA-N 2 1 340.515 3.663 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000307964251 1125676807 /nfs/dbraw/zinc/67/68/07/1125676807.db2.gz BKZHZKRLUWIUAV-OXJNMPFZSA-N 2 1 340.515 3.663 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192090890 1126775070 /nfs/dbraw/zinc/77/50/70/1126775070.db2.gz ZKQNHLCSAJFPGM-DLBZAZTESA-N 2 1 328.859 3.631 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338018943 1126830348 /nfs/dbraw/zinc/83/03/48/1126830348.db2.gz NLYPJDWBTCZNIR-OXQOHEQNSA-N 2 1 340.515 3.680 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338018943 1126830352 /nfs/dbraw/zinc/83/03/52/1126830352.db2.gz NLYPJDWBTCZNIR-OXQOHEQNSA-N 2 1 340.515 3.680 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071541 1126839229 /nfs/dbraw/zinc/83/92/29/1126839229.db2.gz ROTZLIYILROQMH-QKNQBKEWSA-N 2 1 330.516 3.864 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000623086726 1126873220 /nfs/dbraw/zinc/87/32/20/1126873220.db2.gz HFCMWVBCJWRTKF-UHFFFAOYSA-N 2 1 331.366 3.507 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000671297211 1126874489 /nfs/dbraw/zinc/87/44/89/1126874489.db2.gz NDCZAXCKZFJIJU-HULBVEBCSA-N 2 1 328.500 3.792 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000671297211 1126874492 /nfs/dbraw/zinc/87/44/92/1126874492.db2.gz NDCZAXCKZFJIJU-HULBVEBCSA-N 2 1 328.500 3.792 20 0 EHADMP C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000671301324 1126889396 /nfs/dbraw/zinc/88/93/96/1126889396.db2.gz FSJPJNCABOGSQD-LAUBAEHRSA-N 2 1 348.494 3.606 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000623360429 1126930349 /nfs/dbraw/zinc/93/03/49/1126930349.db2.gz JBHICKDGFIRGCI-CQSZACIVSA-N 2 1 330.394 3.590 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623372094 1126937260 /nfs/dbraw/zinc/93/72/60/1126937260.db2.gz DAVWFAYVHWUQSW-KRWDZBQOSA-N 2 1 330.516 3.969 20 0 EHADMP FC1(F)CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000380031661 1126934008 /nfs/dbraw/zinc/93/40/08/1126934008.db2.gz GNXTVFPHAXHLPB-FHWLQOOXSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000380031661 1126934010 /nfs/dbraw/zinc/93/40/10/1126934010.db2.gz GNXTVFPHAXHLPB-FHWLQOOXSA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000380031661 1126934014 /nfs/dbraw/zinc/93/40/14/1126934014.db2.gz GNXTVFPHAXHLPB-FHWLQOOXSA-N 2 1 334.454 3.876 20 0 EHADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC1CC1 ZINC000623490667 1126966774 /nfs/dbraw/zinc/96/67/74/1126966774.db2.gz RQGAQBFGYVUGFQ-INIZCTEOSA-N 2 1 332.488 3.591 20 0 EHADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515963 1126973237 /nfs/dbraw/zinc/97/32/37/1126973237.db2.gz XUEJOPPDXARWIQ-VQTJNVASSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515963 1126973240 /nfs/dbraw/zinc/97/32/40/1126973240.db2.gz XUEJOPPDXARWIQ-VQTJNVASSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515963 1126973243 /nfs/dbraw/zinc/97/32/43/1126973243.db2.gz XUEJOPPDXARWIQ-VQTJNVASSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000178029432 1127005092 /nfs/dbraw/zinc/00/50/92/1127005092.db2.gz MLWUSBYEQUTNKL-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000178029432 1127005097 /nfs/dbraw/zinc/00/50/97/1127005097.db2.gz MLWUSBYEQUTNKL-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430723 1127155083 /nfs/dbraw/zinc/15/50/83/1127155083.db2.gz LMKPLEKAOMDCJP-CZUORRHYSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430723 1127155085 /nfs/dbraw/zinc/15/50/85/1127155085.db2.gz LMKPLEKAOMDCJP-CZUORRHYSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000623928501 1127215133 /nfs/dbraw/zinc/21/51/33/1127215133.db2.gz RQGFGYIOGZEPLX-LLVKDONJSA-N 2 1 347.812 3.536 20 0 EHADMP Cc1csc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000623980148 1127227357 /nfs/dbraw/zinc/22/73/57/1127227357.db2.gz XDFWZVFIYQSTPK-OAHLLOKOSA-N 2 1 345.512 3.775 20 0 EHADMP CC(C)CC[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000624110670 1127253282 /nfs/dbraw/zinc/25/32/82/1127253282.db2.gz CQMZQMPCIICXPA-KBWCOIMZSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120774 1127256076 /nfs/dbraw/zinc/25/60/76/1127256076.db2.gz GVEBHIFPXROGIJ-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000624120774 1127256077 /nfs/dbraw/zinc/25/60/77/1127256077.db2.gz GVEBHIFPXROGIJ-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120774 1127256080 /nfs/dbraw/zinc/25/60/80/1127256080.db2.gz GVEBHIFPXROGIJ-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123272 1127256570 /nfs/dbraw/zinc/25/65/70/1127256570.db2.gz IWEQHGJCGBDNET-XLIONFOSSA-N 2 1 338.499 3.571 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000624123272 1127256573 /nfs/dbraw/zinc/25/65/73/1127256573.db2.gz IWEQHGJCGBDNET-XLIONFOSSA-N 2 1 338.499 3.571 20 0 EHADMP CO[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360874910 1127344126 /nfs/dbraw/zinc/34/41/26/1127344126.db2.gz UXORSNKOQBXTBN-KKURMSBHSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H](CC1CCCCC1)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183331684 1127372797 /nfs/dbraw/zinc/37/27/97/1127372797.db2.gz DIRNQWIEKIQOMB-PZJWPPBQSA-N 2 1 335.580 3.695 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000366366954 1127398044 /nfs/dbraw/zinc/39/80/44/1127398044.db2.gz RGAZRHFSJFMYEK-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000366366954 1127398047 /nfs/dbraw/zinc/39/80/47/1127398047.db2.gz RGAZRHFSJFMYEK-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H](CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000184504122 1127407103 /nfs/dbraw/zinc/40/71/03/1127407103.db2.gz MXTDPBHAGWCFAG-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000193982862 1127449225 /nfs/dbraw/zinc/44/92/25/1127449225.db2.gz NHMPXYPKGFPXRW-HOCLYGCPSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000764637362 1127516707 /nfs/dbraw/zinc/51/67/07/1127516707.db2.gz YFLIINQVQUKOMJ-QFIPXVFZSA-N 2 1 336.479 3.604 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414956 1127609210 /nfs/dbraw/zinc/60/92/10/1127609210.db2.gz DLSBQMXLLGUJGR-UGKGYDQZSA-N 2 1 349.522 3.549 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414956 1127609212 /nfs/dbraw/zinc/60/92/12/1127609212.db2.gz DLSBQMXLLGUJGR-UGKGYDQZSA-N 2 1 349.522 3.549 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921528466 1127669825 /nfs/dbraw/zinc/66/98/25/1127669825.db2.gz UWPUBYQYKKISRN-IOMROCGXSA-N 2 1 330.516 3.822 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921546662 1127723112 /nfs/dbraw/zinc/72/31/12/1127723112.db2.gz XUGBJZKFRLBGRO-CALCHBBNSA-N 2 1 339.483 3.555 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921547356 1127724667 /nfs/dbraw/zinc/72/46/67/1127724667.db2.gz PGWITKCTACAAQZ-RCZSKKKRSA-N 2 1 342.527 3.754 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1 ZINC000921607273 1127760507 /nfs/dbraw/zinc/76/05/07/1127760507.db2.gz NQCOGAKRKRMAJK-NJDAHSKKSA-N 2 1 330.516 3.822 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3[nH]c(=O)oc32)c1 ZINC000921607248 1127760680 /nfs/dbraw/zinc/76/06/80/1127760680.db2.gz NKGIAHAISZYSFD-UHFFFAOYSA-N 2 1 339.439 3.663 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c1 ZINC000921607278 1127760693 /nfs/dbraw/zinc/76/06/93/1127760693.db2.gz NQCOGAKRKRMAJK-PWRODBHTSA-N 2 1 330.516 3.822 20 0 EHADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000921619776 1127850973 /nfs/dbraw/zinc/85/09/73/1127850973.db2.gz PDXWQPMGZZHWQM-IBGZPJMESA-N 2 1 338.499 3.610 20 0 EHADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000921619776 1127850979 /nfs/dbraw/zinc/85/09/79/1127850979.db2.gz PDXWQPMGZZHWQM-IBGZPJMESA-N 2 1 338.499 3.610 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCCC(C)C ZINC000065275222 1128187168 /nfs/dbraw/zinc/18/71/68/1128187168.db2.gz FWEKMWROIBYEOA-IBGZPJMESA-N 2 1 348.531 3.940 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000069754459 1128291705 /nfs/dbraw/zinc/29/17/05/1128291705.db2.gz MZEDKYLMWVKHQE-UHFFFAOYSA-N 2 1 337.471 3.681 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785529 1128366273 /nfs/dbraw/zinc/36/62/73/1128366273.db2.gz XGRRLBVOYUARCZ-MJGOQNOKSA-N 2 1 340.515 3.952 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccccc1 ZINC000765785529 1128366277 /nfs/dbraw/zinc/36/62/77/1128366277.db2.gz XGRRLBVOYUARCZ-MJGOQNOKSA-N 2 1 340.515 3.952 20 0 EHADMP CCCCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000765799264 1128380944 /nfs/dbraw/zinc/38/09/44/1128380944.db2.gz VMJLFVNZNIARTM-NRFANRHFSA-N 2 1 331.548 3.925 20 0 EHADMP C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)cccc1Br)CC2 ZINC001137815970 1128431796 /nfs/dbraw/zinc/43/17/96/1128431796.db2.gz JKWXKBQNOYNZCA-UHFFFAOYSA-N 2 1 343.696 3.630 20 0 EHADMP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903055861 1128453525 /nfs/dbraw/zinc/45/35/25/1128453525.db2.gz MMJJTYGNHCBLFE-VCWGRIPDSA-N 2 1 341.543 3.817 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(OC)cc3)C2)C1 ZINC001168619645 1128472540 /nfs/dbraw/zinc/47/25/40/1128472540.db2.gz ZJODKGBQLBKSAM-WFXMLNOXSA-N 2 1 346.515 3.768 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(OC)cc3)C2)C1 ZINC001168619645 1128472542 /nfs/dbraw/zinc/47/25/42/1128472542.db2.gz ZJODKGBQLBKSAM-WFXMLNOXSA-N 2 1 346.515 3.768 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921686441 1128519760 /nfs/dbraw/zinc/51/97/60/1128519760.db2.gz SKTZZMSOQKVHRV-MRXNPFEDSA-N 2 1 336.439 3.805 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574936 1128629577 /nfs/dbraw/zinc/62/95/77/1128629577.db2.gz OETGYHXMCFHGQP-VQIMIIECSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574936 1128629579 /nfs/dbraw/zinc/62/95/79/1128629579.db2.gz OETGYHXMCFHGQP-VQIMIIECSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000172574936 1128629581 /nfs/dbraw/zinc/62/95/81/1128629581.db2.gz OETGYHXMCFHGQP-VQIMIIECSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000172574936 1128629583 /nfs/dbraw/zinc/62/95/83/1128629583.db2.gz OETGYHXMCFHGQP-VQIMIIECSA-N 2 1 343.540 3.979 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001648816969 1120048354 /nfs/dbraw/zinc/04/83/54/1120048354.db2.gz PAVYWPVDKSJOHS-HNNXBMFYSA-N 2 1 345.462 3.824 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)oc1C ZINC000129634651 1120149020 /nfs/dbraw/zinc/14/90/20/1120149020.db2.gz XIKMOFXXQGZVIZ-SPYBWZPUSA-N 2 1 333.520 3.918 20 0 EHADMP COc1cc(F)cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC001649005121 1120349262 /nfs/dbraw/zinc/34/92/62/1120349262.db2.gz MOUAFPWKYLJOOL-UHFFFAOYSA-N 2 1 334.479 3.969 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000310424714 1128910450 /nfs/dbraw/zinc/91/04/50/1128910450.db2.gz ZUTVFXHXTGVCJV-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000542482740 1120565252 /nfs/dbraw/zinc/56/52/52/1120565252.db2.gz AEMJDNHETCIULM-VBCWZRPASA-N 2 1 342.527 3.692 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000191465616 1120674889 /nfs/dbraw/zinc/67/48/89/1120674889.db2.gz BCLYFJYWIUJJAS-NRFANRHFSA-N 2 1 335.580 3.837 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000193977504 1120813385 /nfs/dbraw/zinc/81/33/85/1120813385.db2.gz ARSCURBIIHEWPM-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193976817 1120813466 /nfs/dbraw/zinc/81/34/66/1120813466.db2.gz JBSGCCWUFNRTDQ-INIZCTEOSA-N 2 1 334.261 3.621 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227764714 1120911287 /nfs/dbraw/zinc/91/12/87/1120911287.db2.gz SIOPHLDZQZZKGZ-UHFFFAOYSA-N 2 1 339.730 3.841 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000494964796 1120920789 /nfs/dbraw/zinc/92/07/89/1120920789.db2.gz SLGRWQYGKACLDZ-UXHICEINSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000494964796 1120920794 /nfs/dbraw/zinc/92/07/94/1120920794.db2.gz SLGRWQYGKACLDZ-UXHICEINSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCSC4)C3)C2)cc1 ZINC000494964796 1120920798 /nfs/dbraw/zinc/92/07/98/1120920798.db2.gz SLGRWQYGKACLDZ-UXHICEINSA-N 2 1 330.541 3.728 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CCc3ccccc3)cc2)C[C@H](C)O1 ZINC000914876807 1121032129 /nfs/dbraw/zinc/03/21/29/1121032129.db2.gz LAVWTEMZAIHTGS-KDURUIRLSA-N 2 1 338.495 3.628 20 0 EHADMP CCc1nc2cc(C[NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)ccc2n1C1CC1 ZINC000338777902 1128959187 /nfs/dbraw/zinc/95/91/87/1128959187.db2.gz IJMDUFXREWRTNG-CRAIPNDOSA-N 2 1 340.515 3.754 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398008068 1121959254 /nfs/dbraw/zinc/95/92/54/1121959254.db2.gz AEZUXRJBCLSBDI-JBYIUTFZSA-N 2 1 338.495 3.823 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398008068 1121959264 /nfs/dbraw/zinc/95/92/64/1121959264.db2.gz AEZUXRJBCLSBDI-JBYIUTFZSA-N 2 1 338.495 3.823 20 0 EHADMP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000917014139 1122438619 /nfs/dbraw/zinc/43/86/19/1122438619.db2.gz UOJMRFMCUISLAN-VQTJNVASSA-N 2 1 330.516 3.578 20 0 EHADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000917014139 1122438622 /nfs/dbraw/zinc/43/86/22/1122438622.db2.gz UOJMRFMCUISLAN-VQTJNVASSA-N 2 1 330.516 3.578 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881069 1122449465 /nfs/dbraw/zinc/44/94/65/1122449465.db2.gz MIGOFUUJJKCHMG-RDJZCZTQSA-N 2 1 336.545 3.896 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881069 1122449467 /nfs/dbraw/zinc/44/94/67/1122449467.db2.gz MIGOFUUJJKCHMG-RDJZCZTQSA-N 2 1 336.545 3.896 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@H]3C(C)=CCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000152618374 1122847077 /nfs/dbraw/zinc/84/70/77/1122847077.db2.gz JHPNMJYIEALMCG-BEFAXECRSA-N 2 1 328.504 3.644 20 0 EHADMP C[N@H+]1CC[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000556178895 1122861846 /nfs/dbraw/zinc/86/18/46/1122861846.db2.gz OQRPYTCDBJWKKQ-WOJBJXKFSA-N 2 1 329.532 3.534 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000130183127 1122906666 /nfs/dbraw/zinc/90/66/66/1122906666.db2.gz PXOXLUPWOSLUJR-OKZBNKHCSA-N 2 1 349.316 3.523 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498618648 1122994264 /nfs/dbraw/zinc/99/42/64/1122994264.db2.gz RWBRVYYTWSGUQA-ZIFCJYIRSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000763433396 1122995667 /nfs/dbraw/zinc/99/56/67/1122995667.db2.gz REBXURMNZAZTGW-DYESRHJHSA-N 2 1 348.506 3.836 20 0 EHADMP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000919739453 1123136413 /nfs/dbraw/zinc/13/64/13/1123136413.db2.gz VEFZLWDJRMJDDV-SJLPKXTDSA-N 2 1 330.472 3.663 20 0 EHADMP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000919739453 1123136414 /nfs/dbraw/zinc/13/64/14/1123136414.db2.gz VEFZLWDJRMJDDV-SJLPKXTDSA-N 2 1 330.472 3.663 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000556872227 1123162106 /nfs/dbraw/zinc/16/21/06/1123162106.db2.gz GYQCLUWMRWMIKK-OIISXLGYSA-N 2 1 342.405 3.676 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000499253703 1123311791 /nfs/dbraw/zinc/31/17/91/1123311791.db2.gz SMTCUQJHTOXUHJ-UTNFEIGLSA-N 2 1 342.527 3.975 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000237668219 1123531967 /nfs/dbraw/zinc/53/19/67/1123531967.db2.gz XDFGTIPACUNOJN-OKILXGFUSA-N 2 1 345.314 3.972 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn1C ZINC000282146241 1123652942 /nfs/dbraw/zinc/65/29/42/1123652942.db2.gz KWFXNGNEXGYSBN-GOSISDBHSA-N 2 1 340.515 3.955 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438461 1123827084 /nfs/dbraw/zinc/82/70/84/1123827084.db2.gz FIBHMROWVUNIQH-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438461 1123827088 /nfs/dbraw/zinc/82/70/88/1123827088.db2.gz FIBHMROWVUNIQH-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438461 1123827094 /nfs/dbraw/zinc/82/70/94/1123827094.db2.gz FIBHMROWVUNIQH-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438461 1123827097 /nfs/dbraw/zinc/82/70/97/1123827097.db2.gz FIBHMROWVUNIQH-KGLIPLIRSA-N 2 1 330.394 3.920 20 0 EHADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)c1 ZINC000245538592 1123869670 /nfs/dbraw/zinc/86/96/70/1123869670.db2.gz JGFJWHABVDIZEZ-GHTZIAJQSA-N 2 1 330.516 3.726 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2N(C)C)[C@H](C)C1 ZINC000246451111 1124470846 /nfs/dbraw/zinc/47/08/46/1124470846.db2.gz NRRZXAJPYUVNOB-GGPKGHCWSA-N 2 1 347.547 3.540 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083455296 1124497700 /nfs/dbraw/zinc/49/77/00/1124497700.db2.gz NBGPJVJORCJCAU-LBPRGKRZSA-N 2 1 332.498 3.802 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000247038295 1124579950 /nfs/dbraw/zinc/57/99/50/1124579950.db2.gz OAODXDQZPJBJGB-HWWQOWPSSA-N 2 1 330.394 3.532 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000247038295 1124579963 /nfs/dbraw/zinc/57/99/63/1124579963.db2.gz OAODXDQZPJBJGB-HWWQOWPSSA-N 2 1 330.394 3.532 20 0 EHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247168788 1124592165 /nfs/dbraw/zinc/59/21/65/1124592165.db2.gz YIFJXODWBVCNAP-KURKYZTESA-N 2 1 336.495 3.626 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247932099 1124630845 /nfs/dbraw/zinc/63/08/45/1124630845.db2.gz CCNKGQWSXLIDHX-RHSMWYFYSA-N 2 1 342.405 3.500 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247932099 1124630847 /nfs/dbraw/zinc/63/08/47/1124630847.db2.gz CCNKGQWSXLIDHX-RHSMWYFYSA-N 2 1 342.405 3.500 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247932099 1124630849 /nfs/dbraw/zinc/63/08/49/1124630849.db2.gz CCNKGQWSXLIDHX-RHSMWYFYSA-N 2 1 342.405 3.500 20 0 EHADMP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248062531 1124638002 /nfs/dbraw/zinc/63/80/02/1124638002.db2.gz YSFQCOHISIKDMS-QZTJIDSGSA-N 2 1 334.504 3.627 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248763045 1124697606 /nfs/dbraw/zinc/69/76/06/1124697606.db2.gz DVZINOXUJUWOQA-XMSQKQJNSA-N 2 1 338.495 3.537 20 0 EHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000248862294 1124709630 /nfs/dbraw/zinc/70/96/30/1124709630.db2.gz GNTODUINTLKTBM-AEFFLSMTSA-N 2 1 336.495 3.723 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248904085 1124717120 /nfs/dbraw/zinc/71/71/20/1124717120.db2.gz URTRNBROLPUQDM-YJBOKZPZSA-N 2 1 340.458 3.851 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168703018 1129183810 /nfs/dbraw/zinc/18/38/10/1129183810.db2.gz XTONWZCXQDGKTG-KRWDZBQOSA-N 2 1 341.886 3.769 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000922730056 1129646187 /nfs/dbraw/zinc/64/61/87/1129646187.db2.gz IXLLZXAKUNZVKB-WMLDXEAASA-N 2 1 344.396 3.621 20 0 EHADMP CCO[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216293 1129766101 /nfs/dbraw/zinc/76/61/01/1129766101.db2.gz PHKVINURQOPSTD-DUXKGJEZSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216293 1129766105 /nfs/dbraw/zinc/76/61/05/1129766105.db2.gz PHKVINURQOPSTD-DUXKGJEZSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216293 1129766107 /nfs/dbraw/zinc/76/61/07/1129766107.db2.gz PHKVINURQOPSTD-DUXKGJEZSA-N 2 1 330.516 3.786 20 0 EHADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000625216293 1129766109 /nfs/dbraw/zinc/76/61/09/1129766109.db2.gz PHKVINURQOPSTD-DUXKGJEZSA-N 2 1 330.516 3.786 20 0 EHADMP OCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766129875 1130369795 /nfs/dbraw/zinc/36/97/95/1130369795.db2.gz XRHCURBZRNTYRD-FCHUYYIVSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766129875 1130369799 /nfs/dbraw/zinc/36/97/99/1130369799.db2.gz XRHCURBZRNTYRD-FCHUYYIVSA-N 2 1 344.543 3.916 20 0 EHADMP OCCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766129875 1130369801 /nfs/dbraw/zinc/36/98/01/1130369801.db2.gz XRHCURBZRNTYRD-FCHUYYIVSA-N 2 1 344.543 3.916 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1[nH]nc2ccccc21 ZINC000675478490 1130399886 /nfs/dbraw/zinc/39/98/86/1130399886.db2.gz YZFOKIOXIVCQAH-IRXDYDNUSA-N 2 1 348.494 3.809 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881791 1130500183 /nfs/dbraw/zinc/50/01/83/1130500183.db2.gz NLWRNLQMKMSRQF-CEQIKUNHSA-N 2 1 346.490 3.682 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1)c1ccccc1 ZINC000166661749 1130595444 /nfs/dbraw/zinc/59/54/44/1130595444.db2.gz KPSNUUBJHIWLKZ-SESVDKBCSA-N 2 1 341.543 3.866 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733842500 1131084237 /nfs/dbraw/zinc/08/42/37/1131084237.db2.gz XLHQTRCEFKHDBB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733842500 1131084242 /nfs/dbraw/zinc/08/42/42/1131084242.db2.gz XLHQTRCEFKHDBB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733842500 1131084247 /nfs/dbraw/zinc/08/42/47/1131084247.db2.gz XLHQTRCEFKHDBB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733842500 1131084252 /nfs/dbraw/zinc/08/42/52/1131084252.db2.gz XLHQTRCEFKHDBB-UXHICEINSA-N 2 1 330.516 3.960 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000348040408 1131134992 /nfs/dbraw/zinc/13/49/92/1131134992.db2.gz WKMAPAONFODVRA-QGZVFWFLSA-N 2 1 326.431 3.557 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000179928495 1131602869 /nfs/dbraw/zinc/60/28/69/1131602869.db2.gz MQJVUKVXCOIQKI-LPHOPBHVSA-N 2 1 326.488 3.949 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000179928495 1131602870 /nfs/dbraw/zinc/60/28/70/1131602870.db2.gz MQJVUKVXCOIQKI-LPHOPBHVSA-N 2 1 326.488 3.949 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001172467624 1131754634 /nfs/dbraw/zinc/75/46/34/1131754634.db2.gz RYEBYSOLWGDTAE-RCCFBDPRSA-N 2 1 336.545 3.563 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001172925282 1131906542 /nfs/dbraw/zinc/90/65/42/1131906542.db2.gz DRDWLMMZBPNJIX-SBEYASLNSA-N 2 1 348.490 3.521 20 0 EHADMP CO[C@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172935062 1131910005 /nfs/dbraw/zinc/91/00/05/1131910005.db2.gz HEIAZLQKCGYCOG-ROUUACIJSA-N 2 1 348.556 3.994 20 0 EHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172944381 1131915580 /nfs/dbraw/zinc/91/55/80/1131915580.db2.gz UGWAUOJJKCSSAL-MRXNPFEDSA-N 2 1 341.540 3.615 20 0 EHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173084575 1131962713 /nfs/dbraw/zinc/96/27/13/1131962713.db2.gz SVZUHWRKJPIJBN-AWEZNQCLSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173084575 1131962720 /nfs/dbraw/zinc/96/27/20/1131962720.db2.gz SVZUHWRKJPIJBN-AWEZNQCLSA-N 2 1 344.421 3.932 20 0 EHADMP CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC(C)(C)C ZINC001173104433 1131968362 /nfs/dbraw/zinc/96/83/62/1131968362.db2.gz OUPFSMVHALDPSQ-BFWZDYSYSA-N 2 1 340.552 3.985 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173111566 1131970406 /nfs/dbraw/zinc/97/04/06/1131970406.db2.gz HJIBMPNLCGFCNZ-KBWCOIMZSA-N 3 1 335.580 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173111566 1131970409 /nfs/dbraw/zinc/97/04/09/1131970409.db2.gz HJIBMPNLCGFCNZ-KBWCOIMZSA-N 2 1 335.580 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173111566 1131970416 /nfs/dbraw/zinc/97/04/16/1131970416.db2.gz HJIBMPNLCGFCNZ-KBWCOIMZSA-N 2 1 335.580 3.980 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173114128 1131971549 /nfs/dbraw/zinc/97/15/49/1131971549.db2.gz XDVKIGWCJIKULT-MHJFOBGBSA-N 2 1 334.479 3.852 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173114128 1131971554 /nfs/dbraw/zinc/97/15/54/1131971554.db2.gz XDVKIGWCJIKULT-MHJFOBGBSA-N 2 1 334.479 3.852 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cn3ccc(C)cc3n2)CC1 ZINC001173117495 1131972650 /nfs/dbraw/zinc/97/26/50/1131972650.db2.gz OCBWCDWDEAEMCL-UHFFFAOYSA-N 2 1 328.504 3.728 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173126997 1131974905 /nfs/dbraw/zinc/97/49/05/1131974905.db2.gz UMHNOOSRFCRXEZ-KZNAEPCWSA-N 2 1 341.524 3.773 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000743847701 1131984049 /nfs/dbraw/zinc/98/40/49/1131984049.db2.gz GLQVOYYDOXFCKI-KCZVDYSFSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000743847701 1131984056 /nfs/dbraw/zinc/98/40/56/1131984056.db2.gz GLQVOYYDOXFCKI-KCZVDYSFSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000743847701 1131984063 /nfs/dbraw/zinc/98/40/63/1131984063.db2.gz GLQVOYYDOXFCKI-KCZVDYSFSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000743847701 1131984071 /nfs/dbraw/zinc/98/40/71/1131984071.db2.gz GLQVOYYDOXFCKI-KCZVDYSFSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846771 1131984320 /nfs/dbraw/zinc/98/43/20/1131984320.db2.gz YGVGYGWDHMETIB-CTNGQTDRSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846771 1131984322 /nfs/dbraw/zinc/98/43/22/1131984322.db2.gz YGVGYGWDHMETIB-CTNGQTDRSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccccc1OCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743873238 1131997134 /nfs/dbraw/zinc/99/71/34/1131997134.db2.gz KXUAXZPEFLBRID-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccccc1OCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743873238 1131997138 /nfs/dbraw/zinc/99/71/38/1131997138.db2.gz KXUAXZPEFLBRID-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccccc1OCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743873238 1131997145 /nfs/dbraw/zinc/99/71/45/1131997145.db2.gz KXUAXZPEFLBRID-NRFANRHFSA-N 2 1 338.495 3.828 20 0 EHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCC[N@@H+](C)CCO ZINC001173214873 1132000770 /nfs/dbraw/zinc/00/07/70/1132000770.db2.gz MSFXNHMDXZKCTM-IBGZPJMESA-N 2 1 340.511 3.501 20 0 EHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cn2)c1C ZINC001206196349 1132012411 /nfs/dbraw/zinc/01/24/11/1132012411.db2.gz BMMRJDBXNQWSDI-RBUKOAKNSA-N 2 1 327.447 3.627 20 0 EHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cn2)c1C ZINC001206196349 1132012414 /nfs/dbraw/zinc/01/24/14/1132012414.db2.gz BMMRJDBXNQWSDI-RBUKOAKNSA-N 2 1 327.447 3.627 20 0 EHADMP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC001173270458 1132025098 /nfs/dbraw/zinc/02/50/98/1132025098.db2.gz CILPWSBWTVEQCR-XLIONFOSSA-N 2 1 330.516 3.870 20 0 EHADMP CCSC[C@@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001173302526 1132033780 /nfs/dbraw/zinc/03/37/80/1132033780.db2.gz ACPXRYYJMGCXHU-QGZVFWFLSA-N 2 1 347.572 3.900 20 0 EHADMP CCSC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001173306179 1132036843 /nfs/dbraw/zinc/03/68/43/1132036843.db2.gz MMBZZQNIXWPPSN-KRWDZBQOSA-N 2 1 333.545 3.511 20 0 EHADMP COC(=O)CCCC[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173441952 1132070649 /nfs/dbraw/zinc/07/06/49/1132070649.db2.gz BKLGRKWJJGKRFJ-WDSOQIARSA-N 2 1 338.536 3.870 20 0 EHADMP Fc1cc2c(cc1F)CC([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001173483662 1132076200 /nfs/dbraw/zinc/07/62/00/1132076200.db2.gz ULPTVYIERLGKLP-KRWDZBQOSA-N 2 1 334.454 3.772 20 0 EHADMP Fc1cc2c(cc1F)CC([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001173483662 1132076210 /nfs/dbraw/zinc/07/62/10/1132076210.db2.gz ULPTVYIERLGKLP-KRWDZBQOSA-N 2 1 334.454 3.772 20 0 EHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173636333 1132112322 /nfs/dbraw/zinc/11/23/22/1132112322.db2.gz YOOYZABYNBQPJR-CAMMJAKZSA-N 2 1 338.536 3.869 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206211395 1132119402 /nfs/dbraw/zinc/11/94/02/1132119402.db2.gz OACZXGWDKCEZCX-OALUTQOASA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211395 1132119409 /nfs/dbraw/zinc/11/94/09/1132119409.db2.gz OACZXGWDKCEZCX-OALUTQOASA-N 2 1 346.421 3.763 20 0 EHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211395 1132119410 /nfs/dbraw/zinc/11/94/10/1132119410.db2.gz OACZXGWDKCEZCX-OALUTQOASA-N 2 1 346.421 3.763 20 0 EHADMP C[NH+](C)Cc1ccccc1Nc1c[nH+]c2ccc(Br)cn12 ZINC001173929315 1132187599 /nfs/dbraw/zinc/18/75/99/1132187599.db2.gz OVCKJWTYZHUCSF-UHFFFAOYSA-N 2 1 345.244 3.902 20 0 EHADMP CC(C)(C)c1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC001174448413 1132374928 /nfs/dbraw/zinc/37/49/28/1132374928.db2.gz SPFXSEPVQPYXJN-UHFFFAOYSA-N 2 1 325.456 3.955 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000381173759 1132475090 /nfs/dbraw/zinc/47/50/90/1132475090.db2.gz YHXFGRHIOQMYAB-TZIWHRDSSA-N 2 1 335.495 3.961 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000381173759 1132475097 /nfs/dbraw/zinc/47/50/97/1132475097.db2.gz YHXFGRHIOQMYAB-TZIWHRDSSA-N 2 1 335.495 3.961 20 0 EHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000766494127 1132555273 /nfs/dbraw/zinc/55/52/73/1132555273.db2.gz PCPMHYLHUNJONK-HXUWFJFHSA-N 2 1 336.483 3.648 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001168839467 1132577158 /nfs/dbraw/zinc/57/71/58/1132577158.db2.gz UIRXMVAAVCFABV-UHFFFAOYSA-N 2 1 348.393 3.702 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119049 1132663496 /nfs/dbraw/zinc/66/34/96/1132663496.db2.gz PKPCMPPFNSOYBH-NYUBLWNDSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119049 1132663502 /nfs/dbraw/zinc/66/35/02/1132663502.db2.gz PKPCMPPFNSOYBH-NYUBLWNDSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccncc3)CCC(F)(F)CC1)C2 ZINC001169115031 1132673062 /nfs/dbraw/zinc/67/30/62/1132673062.db2.gz HAVHAHUNINLGCR-NNZMDNLPSA-N 2 1 349.469 3.787 20 0 EHADMP Cc1cc([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1N1CCOCC1 ZINC001169151319 1132679159 /nfs/dbraw/zinc/67/91/59/1132679159.db2.gz ILYBZTQSXXLTHZ-GHTZIAJQSA-N 2 1 345.531 3.787 20 0 EHADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162461 1132683233 /nfs/dbraw/zinc/68/32/33/1132683233.db2.gz SPDQNVISVWWGQW-QDMKHBRRSA-N 2 1 328.378 3.642 20 0 EHADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162461 1132683237 /nfs/dbraw/zinc/68/32/37/1132683237.db2.gz SPDQNVISVWWGQW-QDMKHBRRSA-N 2 1 328.378 3.642 20 0 EHADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162461 1132683245 /nfs/dbraw/zinc/68/32/45/1132683245.db2.gz SPDQNVISVWWGQW-QDMKHBRRSA-N 2 1 328.378 3.642 20 0 EHADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162461 1132683251 /nfs/dbraw/zinc/68/32/51/1132683251.db2.gz SPDQNVISVWWGQW-QDMKHBRRSA-N 2 1 328.378 3.642 20 0 EHADMP c1ccc(C[N@@H+]2CC=C(Nc3cc[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC001175505027 1132692827 /nfs/dbraw/zinc/69/28/27/1132692827.db2.gz LRWWYSJMXCPBIQ-UHFFFAOYSA-N 2 1 334.467 3.884 20 0 EHADMP Cc1[nH+]c2ccc(F)cn2c1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175505793 1132693239 /nfs/dbraw/zinc/69/32/39/1132693239.db2.gz SAZVPAVDALNMGK-UHFFFAOYSA-N 2 1 336.414 3.984 20 0 EHADMP Cc1[nH+]c2ccc(F)cn2c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505793 1132693242 /nfs/dbraw/zinc/69/32/42/1132693242.db2.gz SAZVPAVDALNMGK-UHFFFAOYSA-N 2 1 336.414 3.984 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206022489 1132875274 /nfs/dbraw/zinc/87/52/74/1132875274.db2.gz CHQUHACGRLGKJX-HUUCEWRRSA-N 2 1 339.321 3.873 20 0 EHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001176282616 1132890235 /nfs/dbraw/zinc/89/02/35/1132890235.db2.gz ZRUGUANKDQGYTC-AWEZNQCLSA-N 2 1 335.373 3.811 20 0 EHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001176282616 1132890246 /nfs/dbraw/zinc/89/02/46/1132890246.db2.gz ZRUGUANKDQGYTC-AWEZNQCLSA-N 2 1 335.373 3.811 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169923305 1132904900 /nfs/dbraw/zinc/90/49/00/1132904900.db2.gz IVLWIOYPONYBOR-BHIYHBOVSA-N 2 1 336.520 3.577 20 0 EHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065633 1133026613 /nfs/dbraw/zinc/02/66/13/1133026613.db2.gz CMADHIHARVXODN-AZUAARDMSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065633 1133026621 /nfs/dbraw/zinc/02/66/21/1133026621.db2.gz CMADHIHARVXODN-AZUAARDMSA-N 2 1 329.532 3.676 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2cc(Br)ccc2Cl)[C@H](C)C1 ZINC000767923282 1133068095 /nfs/dbraw/zinc/06/80/95/1133068095.db2.gz WVTWGSZHLZJGON-IAQYHMDHSA-N 2 1 345.712 3.922 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001206312078 1133126851 /nfs/dbraw/zinc/12/68/51/1133126851.db2.gz ZCNJDDBPFMYPIQ-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001206312078 1133126854 /nfs/dbraw/zinc/12/68/54/1133126854.db2.gz ZCNJDDBPFMYPIQ-HNNXBMFYSA-N 2 1 347.247 3.678 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)C ZINC000773734980 1133147526 /nfs/dbraw/zinc/14/75/26/1133147526.db2.gz PPPLZSZSFADTGH-OAQYLSRUSA-N 2 1 332.532 3.800 20 0 EHADMP CC1(C)CCC(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001178462556 1133170891 /nfs/dbraw/zinc/17/08/91/1133170891.db2.gz GZDYWGAISVKXLT-HXUWFJFHSA-N 2 1 330.516 3.559 20 0 EHADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1OCc1ccccc1 ZINC001179266473 1133239533 /nfs/dbraw/zinc/23/95/33/1133239533.db2.gz NNPHVLATAODHEW-QGZVFWFLSA-N 2 1 342.483 3.704 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC001179437226 1133250712 /nfs/dbraw/zinc/25/07/12/1133250712.db2.gz CNYJHKNYRXOGNV-LJQANCHMSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[N@@H+](Cc2c(F)cc(F)cc2Br)CCC[C@H]1C[NH3+] ZINC001206028292 1133271568 /nfs/dbraw/zinc/27/15/68/1133271568.db2.gz YAFQVUJUMKRJKS-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484833 1133288868 /nfs/dbraw/zinc/28/88/68/1133288868.db2.gz MEPQOVCEJGDZIP-IAQYHMDHSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484833 1133288871 /nfs/dbraw/zinc/28/88/71/1133288871.db2.gz MEPQOVCEJGDZIP-IAQYHMDHSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484833 1133288873 /nfs/dbraw/zinc/28/88/73/1133288873.db2.gz MEPQOVCEJGDZIP-IAQYHMDHSA-N 2 1 332.517 3.531 20 0 EHADMP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000769484833 1133288876 /nfs/dbraw/zinc/28/88/76/1133288876.db2.gz MEPQOVCEJGDZIP-IAQYHMDHSA-N 2 1 332.517 3.531 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000769472148 1133297466 /nfs/dbraw/zinc/29/74/66/1133297466.db2.gz FIBGGBQHZVFQJR-IBGZPJMESA-N 2 1 327.516 3.595 20 0 EHADMP c1ccc(N2CCCCC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000769472148 1133297470 /nfs/dbraw/zinc/29/74/70/1133297470.db2.gz FIBGGBQHZVFQJR-IBGZPJMESA-N 2 1 327.516 3.595 20 0 EHADMP COC[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001180271083 1133352248 /nfs/dbraw/zinc/35/22/48/1133352248.db2.gz BKXHOENNRQSCDZ-IFMALSPDSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001180271083 1133352251 /nfs/dbraw/zinc/35/22/51/1133352251.db2.gz BKXHOENNRQSCDZ-IFMALSPDSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001180271083 1133352256 /nfs/dbraw/zinc/35/22/56/1133352256.db2.gz BKXHOENNRQSCDZ-IFMALSPDSA-N 2 1 344.543 3.893 20 0 EHADMP CC[NH+]1CCC(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)CC1 ZINC001180353519 1133360240 /nfs/dbraw/zinc/36/02/40/1133360240.db2.gz JRQGZTZPHMPLFG-UHFFFAOYSA-N 2 1 349.494 3.597 20 0 EHADMP CC(C)[C@@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](CO)C(C)C ZINC001181891584 1133547861 /nfs/dbraw/zinc/54/78/61/1133547861.db2.gz CPEGFZXOUXIOBM-RYFAJOAYSA-N 2 1 346.559 3.776 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC1CC1 ZINC000771474679 1133560113 /nfs/dbraw/zinc/56/01/13/1133560113.db2.gz BVNZXMISHTVPGC-OAQYLSRUSA-N 2 1 330.516 3.554 20 0 EHADMP C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001183376133 1133800930 /nfs/dbraw/zinc/80/09/30/1133800930.db2.gz QICPHCQZVZKJTO-IZAXUBKRSA-N 2 1 343.515 3.730 20 0 EHADMP CC(C)CCC[C@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001170061495 1133882021 /nfs/dbraw/zinc/88/20/21/1133882021.db2.gz RZGDPAPMVNTWDE-LYGPFTKASA-N 2 1 326.525 3.773 20 0 EHADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000774982844 1134178752 /nfs/dbraw/zinc/17/87/52/1134178752.db2.gz FNAVEKLQRTXHOR-AWEZNQCLSA-N 2 1 325.294 3.577 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C1 ZINC001170139652 1134435184 /nfs/dbraw/zinc/43/51/84/1134435184.db2.gz VMCYNGKDDDWZCD-GIVPXCGWSA-N 2 1 342.527 3.931 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775388814 1134702120 /nfs/dbraw/zinc/70/21/20/1134702120.db2.gz UGPIYYMFWCOVRA-QBPKDAKJSA-N 2 1 342.618 3.856 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775388814 1134702127 /nfs/dbraw/zinc/70/21/27/1134702127.db2.gz UGPIYYMFWCOVRA-QBPKDAKJSA-N 2 1 342.618 3.856 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001170214926 1134708428 /nfs/dbraw/zinc/70/84/28/1134708428.db2.gz VVCQNWCLRRFVFC-GGPKGHCWSA-N 2 1 346.515 3.914 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)CC1 ZINC001190650738 1134732213 /nfs/dbraw/zinc/73/22/13/1134732213.db2.gz FZYYJGJFEBWVKS-UXHICEINSA-N 2 1 334.548 3.922 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001170424912 1134841586 /nfs/dbraw/zinc/84/15/86/1134841586.db2.gz MPIFALYZFBGOQF-MOPGFXCFSA-N 2 1 344.499 3.591 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001170424912 1134841594 /nfs/dbraw/zinc/84/15/94/1134841594.db2.gz MPIFALYZFBGOQF-MOPGFXCFSA-N 2 1 344.499 3.591 20 0 EHADMP Fc1ncccc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000793281362 1134901134 /nfs/dbraw/zinc/90/11/34/1134901134.db2.gz OPELPIHHHLOBSH-XUVXKRRUSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000793281362 1134901136 /nfs/dbraw/zinc/90/11/36/1134901136.db2.gz OPELPIHHHLOBSH-XUVXKRRUSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000793281362 1134901142 /nfs/dbraw/zinc/90/11/42/1134901142.db2.gz OPELPIHHHLOBSH-XUVXKRRUSA-N 2 1 339.458 3.611 20 0 EHADMP CCOC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716692371 1134989724 /nfs/dbraw/zinc/98/97/24/1134989724.db2.gz LKCBSFFIUUGHLG-TUFLPTIASA-N 2 1 330.516 3.690 20 0 EHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001193355131 1135128462 /nfs/dbraw/zinc/12/84/62/1135128462.db2.gz NDPZYQPSRYZWCW-UHFFFAOYSA-N 2 1 343.591 3.903 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001193355131 1135128466 /nfs/dbraw/zinc/12/84/66/1135128466.db2.gz NDPZYQPSRYZWCW-UHFFFAOYSA-N 2 1 343.591 3.903 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001193355131 1135128467 /nfs/dbraw/zinc/12/84/67/1135128467.db2.gz NDPZYQPSRYZWCW-UHFFFAOYSA-N 2 1 343.591 3.903 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205652415 1135228040 /nfs/dbraw/zinc/22/80/40/1135228040.db2.gz PNAWITCVTSQWSC-PWSUYJOCSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205652415 1135228043 /nfs/dbraw/zinc/22/80/43/1135228043.db2.gz PNAWITCVTSQWSC-PWSUYJOCSA-N 2 1 335.801 3.561 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccsc3)cs2)CCC1(F)F ZINC001205789443 1135620997 /nfs/dbraw/zinc/62/09/97/1135620997.db2.gz ZLXBNMQUEDPQRA-ZDUSSCGKSA-N 2 1 328.453 3.893 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccsc3)cs2)CCC1(F)F ZINC001205789443 1135621000 /nfs/dbraw/zinc/62/10/00/1135621000.db2.gz ZLXBNMQUEDPQRA-ZDUSSCGKSA-N 2 1 328.453 3.893 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000808722887 1135722612 /nfs/dbraw/zinc/72/26/12/1135722612.db2.gz GXNKGOXPNVSTJZ-CLAROIROSA-N 2 1 336.479 3.678 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000808722887 1135722616 /nfs/dbraw/zinc/72/26/16/1135722616.db2.gz GXNKGOXPNVSTJZ-CLAROIROSA-N 2 1 336.479 3.678 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001198202161 1135784241 /nfs/dbraw/zinc/78/42/41/1135784241.db2.gz KXKUFLIKADZGSN-FQEVSTJZSA-N 2 1 342.527 3.889 20 0 EHADMP Cc1c(N)cc[nH+]c1NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001170585271 1135873659 /nfs/dbraw/zinc/87/36/59/1135873659.db2.gz KEOXXBJYQZDXQO-HNNXBMFYSA-N 2 1 339.270 3.994 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC001199346107 1135896531 /nfs/dbraw/zinc/89/65/31/1135896531.db2.gz XHPUYQFECYXDBT-INIZCTEOSA-N 2 1 329.463 3.976 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001199721091 1135922878 /nfs/dbraw/zinc/92/28/78/1135922878.db2.gz DFQKJGOJBRSWBZ-UXHICEINSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001199721091 1135922880 /nfs/dbraw/zinc/92/28/80/1135922880.db2.gz DFQKJGOJBRSWBZ-UXHICEINSA-N 2 1 345.575 3.855 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199721091 1135922883 /nfs/dbraw/zinc/92/28/83/1135922883.db2.gz DFQKJGOJBRSWBZ-UXHICEINSA-N 2 1 345.575 3.855 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912424 1135991134 /nfs/dbraw/zinc/99/11/34/1135991134.db2.gz AHMQBQXCAGISRA-KGLIPLIRSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912424 1135991137 /nfs/dbraw/zinc/99/11/37/1135991137.db2.gz AHMQBQXCAGISRA-KGLIPLIRSA-N 2 1 325.294 3.625 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810698346 1135997908 /nfs/dbraw/zinc/99/79/08/1135997908.db2.gz ZYSFFBXXDBLGPQ-FQEVSTJZSA-N 2 1 349.494 3.679 20 0 EHADMP C[N@@H+](C/C(Br)=C/c1ccccc1)CC1CC[NH+](C)CC1 ZINC001201456022 1136022115 /nfs/dbraw/zinc/02/21/15/1136022115.db2.gz OQXMATPGCZFAGD-ATVHPVEESA-N 2 1 337.305 3.696 20 0 EHADMP C[N@H+](C/C(Br)=C/c1ccccc1)CC1CC[NH+](C)CC1 ZINC001201456022 1136022118 /nfs/dbraw/zinc/02/21/18/1136022118.db2.gz OQXMATPGCZFAGD-ATVHPVEESA-N 2 1 337.305 3.696 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201558255 1136039974 /nfs/dbraw/zinc/03/99/74/1136039974.db2.gz AHXQKGMMGJAIAV-NRSPTQNISA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201558255 1136039978 /nfs/dbraw/zinc/03/99/78/1136039978.db2.gz AHXQKGMMGJAIAV-NRSPTQNISA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201558255 1136039982 /nfs/dbraw/zinc/03/99/82/1136039982.db2.gz AHXQKGMMGJAIAV-NRSPTQNISA-N 2 1 336.564 3.883 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccccc3)C[C@H]21 ZINC001201603664 1136045528 /nfs/dbraw/zinc/04/55/28/1136045528.db2.gz LNPRYYITLFAFOF-MDNUFGMLSA-N 2 1 349.522 3.857 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccccc3)C[C@H]21 ZINC001201603664 1136045531 /nfs/dbraw/zinc/04/55/31/1136045531.db2.gz LNPRYYITLFAFOF-MDNUFGMLSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC001201603664 1136045535 /nfs/dbraw/zinc/04/55/35/1136045535.db2.gz LNPRYYITLFAFOF-MDNUFGMLSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001201603664 1136045539 /nfs/dbraw/zinc/04/55/39/1136045539.db2.gz LNPRYYITLFAFOF-MDNUFGMLSA-N 2 1 349.522 3.857 20 0 EHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCc4ccccc4)C[C@H]3C2)cc1 ZINC001201660035 1136053420 /nfs/dbraw/zinc/05/34/20/1136053420.db2.gz GIFDHBFNIKMHHA-ZRZAMGCNSA-N 2 1 334.507 3.991 20 0 EHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCc4ccccc4)C[C@H]3C2)cc1 ZINC001201660035 1136053425 /nfs/dbraw/zinc/05/34/25/1136053425.db2.gz GIFDHBFNIKMHHA-ZRZAMGCNSA-N 2 1 334.507 3.991 20 0 EHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCCc4ccccc4)C[C@H]3C2)cc1 ZINC001201660035 1136053428 /nfs/dbraw/zinc/05/34/28/1136053428.db2.gz GIFDHBFNIKMHHA-ZRZAMGCNSA-N 2 1 334.507 3.991 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202167004 1136104747 /nfs/dbraw/zinc/10/47/47/1136104747.db2.gz IVVDKROECAYSOT-HLAWJBBLSA-N 2 1 327.516 3.804 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202167004 1136104748 /nfs/dbraw/zinc/10/47/48/1136104748.db2.gz IVVDKROECAYSOT-HLAWJBBLSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]21 ZINC001202167004 1136104749 /nfs/dbraw/zinc/10/47/49/1136104749.db2.gz IVVDKROECAYSOT-HLAWJBBLSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC001202167004 1136104750 /nfs/dbraw/zinc/10/47/50/1136104750.db2.gz IVVDKROECAYSOT-HLAWJBBLSA-N 2 1 327.516 3.804 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414068 1136253475 /nfs/dbraw/zinc/25/34/75/1136253475.db2.gz UKCZAXGVRGJVMY-XWSJACJDSA-N 2 1 336.907 3.614 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000850483013 1136267539 /nfs/dbraw/zinc/26/75/39/1136267539.db2.gz NCOAHXMXWFSESX-YJBOKZPZSA-N 2 1 347.503 3.854 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850557501 1136285448 /nfs/dbraw/zinc/28/54/48/1136285448.db2.gz OLPVOAWYHXRVCW-INIZCTEOSA-N 2 1 345.314 3.879 20 0 EHADMP c1ccc(N2CCCCC2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093191 1136508335 /nfs/dbraw/zinc/50/83/35/1136508335.db2.gz DQKUQDBRMSPGOG-FQEVSTJZSA-N 2 1 341.543 3.889 20 0 EHADMP c1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240612 1136521618 /nfs/dbraw/zinc/52/16/18/1136521618.db2.gz PHZZKTPRPMNDNT-DENIHFKCSA-N 2 1 342.527 3.866 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+]([C@H]2CCCOCC2)C3)cc1 ZINC001170835290 1136740977 /nfs/dbraw/zinc/74/09/77/1136740977.db2.gz QXFPRBDMHCQAHF-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+]([C@H]2CCCOCC2)C3)cc1 ZINC001170835290 1136740979 /nfs/dbraw/zinc/74/09/79/1136740979.db2.gz QXFPRBDMHCQAHF-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+]([C@H]2CCCOCC2)C3)cc1 ZINC001170835290 1136740981 /nfs/dbraw/zinc/74/09/81/1136740981.db2.gz QXFPRBDMHCQAHF-LEWJYISDSA-N 2 1 328.500 3.544 20 0 EHADMP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642121 1136743396 /nfs/dbraw/zinc/74/33/96/1136743396.db2.gz PWEDRNMTPYIKFQ-LJQANCHMSA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642121 1136743398 /nfs/dbraw/zinc/74/33/98/1136743398.db2.gz PWEDRNMTPYIKFQ-LJQANCHMSA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642121 1136743401 /nfs/dbraw/zinc/74/34/01/1136743401.db2.gz PWEDRNMTPYIKFQ-LJQANCHMSA-N 2 1 344.528 3.534 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)sc2nc(C)nc(C)c12 ZINC000816642121 1136743404 /nfs/dbraw/zinc/74/34/04/1136743404.db2.gz PWEDRNMTPYIKFQ-LJQANCHMSA-N 2 1 344.528 3.534 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccsc3C)C2)ccn1 ZINC000856547713 1136794070 /nfs/dbraw/zinc/79/40/70/1136794070.db2.gz CCGUQWGTMXLDEI-IBGZPJMESA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccsc3C)C2)ccn1 ZINC000856547713 1136794072 /nfs/dbraw/zinc/79/40/72/1136794072.db2.gz CCGUQWGTMXLDEI-IBGZPJMESA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccsc3C)C2)ccn1 ZINC000856547713 1136794075 /nfs/dbraw/zinc/79/40/75/1136794075.db2.gz CCGUQWGTMXLDEI-IBGZPJMESA-N 2 1 345.512 3.557 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000856559477 1136795117 /nfs/dbraw/zinc/79/51/17/1136795117.db2.gz ABHXVJSZMFFBFJ-OAQYLSRUSA-N 2 1 339.483 3.575 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000856559477 1136795120 /nfs/dbraw/zinc/79/51/20/1136795120.db2.gz ABHXVJSZMFFBFJ-OAQYLSRUSA-N 2 1 339.483 3.575 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000856559477 1136795123 /nfs/dbraw/zinc/79/51/23/1136795123.db2.gz ABHXVJSZMFFBFJ-OAQYLSRUSA-N 2 1 339.483 3.575 20 0 EHADMP Cc1cn2cc(NC(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)ccc2n1 ZINC000857096602 1136844705 /nfs/dbraw/zinc/84/47/05/1136844705.db2.gz FEJVUVMKGSHPHG-SFHVURJKSA-N 2 1 348.450 3.704 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCCCC2=O)cc1 ZINC000817932022 1136847033 /nfs/dbraw/zinc/84/70/33/1136847033.db2.gz PJLOOQGPPKOJAH-ONGXBYRLSA-N 2 1 349.478 3.999 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000818962631 1136891972 /nfs/dbraw/zinc/89/19/72/1136891972.db2.gz VACPOYWRJYCXDS-NRFANRHFSA-N 2 1 326.484 3.658 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000818959355 1136895713 /nfs/dbraw/zinc/89/57/13/1136895713.db2.gz ILLRKCJUGBIZKB-PGRDOPGGSA-N 2 1 338.495 3.884 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857847768 1136911523 /nfs/dbraw/zinc/91/15/23/1136911523.db2.gz XUTIUONMXPWFDZ-OXJNMPFZSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857847768 1136911530 /nfs/dbraw/zinc/91/15/30/1136911530.db2.gz XUTIUONMXPWFDZ-OXJNMPFZSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857847768 1136911533 /nfs/dbraw/zinc/91/15/33/1136911533.db2.gz XUTIUONMXPWFDZ-OXJNMPFZSA-N 2 1 338.499 3.951 20 0 EHADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819151894 1136914477 /nfs/dbraw/zinc/91/44/77/1136914477.db2.gz HIKDBVOHLIPJGK-SUMWQHHRSA-N 2 1 345.314 3.594 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000819126345 1136917354 /nfs/dbraw/zinc/91/73/54/1136917354.db2.gz OHEGEVADUKJIJH-KRWDZBQOSA-N 2 1 330.875 3.611 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccnc(F)c3)cc2)CC1 ZINC000858152158 1136944455 /nfs/dbraw/zinc/94/44/55/1136944455.db2.gz GECMWZDPOSBVCK-UHFFFAOYSA-N 2 1 342.462 3.611 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c(CO)c1 ZINC000858352334 1136960533 /nfs/dbraw/zinc/96/05/33/1136960533.db2.gz YZTLXEXPHGFBRV-MRXNPFEDSA-N 2 1 325.456 3.560 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000859214949 1137008154 /nfs/dbraw/zinc/00/81/54/1137008154.db2.gz RUENTBXSACIEHJ-IBGZPJMESA-N 2 1 332.875 3.567 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCc3cccc(F)c3C2)[nH+]1 ZINC001171009252 1137089720 /nfs/dbraw/zinc/08/97/20/1137089720.db2.gz JTHRLAQADFLYAH-SFHVURJKSA-N 2 1 339.458 3.645 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3ccccc3C2)cn1 ZINC000823677606 1137110762 /nfs/dbraw/zinc/11/07/62/1137110762.db2.gz ZJMBOGDIBVMVHR-HXUWFJFHSA-N 2 1 332.451 3.613 20 0 EHADMP Cc1cccn2c(CN3CCC([N@@H+](C)Cc4ccccc4)CC3)cnc12 ZINC001136964453 1137157937 /nfs/dbraw/zinc/15/79/37/1137157937.db2.gz SKUUFWCAKALYGH-UHFFFAOYSA-N 2 1 348.494 3.739 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1)c1ccccc1 ZINC000339065494 1137208846 /nfs/dbraw/zinc/20/88/46/1137208846.db2.gz FRGFXZGLZHLWME-CTNGQTDRSA-N 2 1 349.478 3.655 20 0 EHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1)c1ccccc1 ZINC000339065494 1137208847 /nfs/dbraw/zinc/20/88/47/1137208847.db2.gz FRGFXZGLZHLWME-CTNGQTDRSA-N 2 1 349.478 3.655 20 0 EHADMP FC1(F)C[C@@]12CCC[NH+](C/C=C/C[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442387 1137223780 /nfs/dbraw/zinc/22/37/80/1137223780.db2.gz XVTALFXRULUNRL-YVFUIXNUSA-N 2 1 346.412 3.785 20 0 EHADMP FC1(F)C[C@@]12CCC[N@@H+](C/C=C/C[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442387 1137223782 /nfs/dbraw/zinc/22/37/82/1137223782.db2.gz XVTALFXRULUNRL-YVFUIXNUSA-N 2 1 346.412 3.785 20 0 EHADMP FC1(F)C[C@@]12CCC[N@H+](C/C=C/C[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442387 1137223783 /nfs/dbraw/zinc/22/37/83/1137223783.db2.gz XVTALFXRULUNRL-YVFUIXNUSA-N 2 1 346.412 3.785 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000339070543 1137241669 /nfs/dbraw/zinc/24/16/69/1137241669.db2.gz ZOFMRJXIEZNXPW-FQEVSTJZSA-N 2 1 328.500 3.607 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001144222029 1137254863 /nfs/dbraw/zinc/25/48/63/1137254863.db2.gz LRVUUVXCINJERQ-UHFFFAOYSA-N 2 1 337.305 3.675 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144241530 1137259129 /nfs/dbraw/zinc/25/91/29/1137259129.db2.gz VVPVPPRZYVASRQ-UHFFFAOYSA-N 2 1 346.478 3.920 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000865661627 1137302589 /nfs/dbraw/zinc/30/25/89/1137302589.db2.gz VOAHIHOLTDJNQK-AYWYSENESA-N 2 1 330.516 3.549 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000846813528 1137369008 /nfs/dbraw/zinc/36/90/08/1137369008.db2.gz HJPTXWCQVGCGLP-PZJWPPBQSA-N 2 1 341.499 3.721 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000846813528 1137369010 /nfs/dbraw/zinc/36/90/10/1137369010.db2.gz HJPTXWCQVGCGLP-PZJWPPBQSA-N 2 1 341.499 3.721 20 0 EHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccnn1C ZINC000866612686 1137369393 /nfs/dbraw/zinc/36/93/93/1137369393.db2.gz BGJCTSVAVZWURR-IVMQYODDSA-N 2 1 326.488 3.514 20 0 EHADMP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866709729 1137374838 /nfs/dbraw/zinc/37/48/38/1137374838.db2.gz ZNEDONDCLLEGKU-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866709729 1137374840 /nfs/dbraw/zinc/37/48/40/1137374840.db2.gz ZNEDONDCLLEGKU-FQEVSTJZSA-N 2 1 327.472 3.847 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000866707557 1137374908 /nfs/dbraw/zinc/37/49/08/1137374908.db2.gz IJZWVLNSUAEJOF-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000866707557 1137374910 /nfs/dbraw/zinc/37/49/10/1137374910.db2.gz IJZWVLNSUAEJOF-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP C([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000772979259 1137400557 /nfs/dbraw/zinc/40/05/57/1137400557.db2.gz IDQIUXOCBVVKAF-HSALFYBXSA-N 2 1 334.548 3.970 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000712450647 1137468385 /nfs/dbraw/zinc/46/83/85/1137468385.db2.gz JCCHJGJNVSLKLW-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc1 ZINC000773140995 1137469058 /nfs/dbraw/zinc/46/90/58/1137469058.db2.gz WJDNXJRWCWGLCW-QYZOEREBSA-N 2 1 348.581 3.620 20 0 EHADMP Fc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171398826 1137470608 /nfs/dbraw/zinc/47/06/08/1137470608.db2.gz ZPKJUNWIFZIGRP-QUCCMNQESA-N 2 1 338.470 3.795 20 0 EHADMP OC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961325 1137474978 /nfs/dbraw/zinc/47/49/78/1137474978.db2.gz MCYAWQDSGORPHM-NHCUHLMSSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961325 1137474980 /nfs/dbraw/zinc/47/49/80/1137474980.db2.gz MCYAWQDSGORPHM-NHCUHLMSSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961325 1137474982 /nfs/dbraw/zinc/47/49/82/1137474982.db2.gz MCYAWQDSGORPHM-NHCUHLMSSA-N 2 1 342.527 3.668 20 0 EHADMP C[C@@H]1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000716619614 1137488020 /nfs/dbraw/zinc/48/80/20/1137488020.db2.gz GDXPABBADIDLFZ-VSHGRSIOSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624478 1137488054 /nfs/dbraw/zinc/48/80/54/1137488054.db2.gz HJBBQQYASPQFJH-HJWJTTGWSA-N 2 1 326.406 3.970 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171496301 1137491752 /nfs/dbraw/zinc/49/17/52/1137491752.db2.gz OGRZLBLSMQHYSR-KRWDZBQOSA-N 2 1 334.454 3.772 20 0 EHADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171531025 1137493950 /nfs/dbraw/zinc/49/39/50/1137493950.db2.gz WTPDJLYJFUHYAM-UKRRQHHQSA-N 2 1 340.433 3.802 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505291 1137494721 /nfs/dbraw/zinc/49/47/21/1137494721.db2.gz HVTBKFLLABXLTM-DZGCQCFKSA-N 2 1 340.433 3.815 20 0 EHADMP CCCc1noc([C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171641410 1137504607 /nfs/dbraw/zinc/50/46/07/1137504607.db2.gz GNRWVHWOLMVJGF-OAHLLOKOSA-N 2 1 348.535 3.853 20 0 EHADMP C[C@H]1C[C@H](N(CCC[NH3+])C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171724838 1137505907 /nfs/dbraw/zinc/50/59/07/1137505907.db2.gz CEWCRCGGOIOMQA-RXVVDRJESA-N 2 1 329.532 3.633 20 0 EHADMP C[C@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724838 1137505909 /nfs/dbraw/zinc/50/59/09/1137505909.db2.gz CEWCRCGGOIOMQA-RXVVDRJESA-N 2 1 329.532 3.633 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC001171724838 1137505911 /nfs/dbraw/zinc/50/59/11/1137505911.db2.gz CEWCRCGGOIOMQA-RXVVDRJESA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](N2CCC(C)([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171768839 1137509724 /nfs/dbraw/zinc/50/97/24/1137509724.db2.gz XHHJHJWMVAKEIN-TZIWHRDSSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171776311 1137510000 /nfs/dbraw/zinc/51/00/00/1137510000.db2.gz TYFXOLLRNAEUNI-NSISKUIASA-N 2 1 338.470 3.936 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001171776311 1137510002 /nfs/dbraw/zinc/51/00/02/1137510002.db2.gz TYFXOLLRNAEUNI-NSISKUIASA-N 2 1 338.470 3.936 20 0 EHADMP CC(C)C[N@@H+]([C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171742540 1137511427 /nfs/dbraw/zinc/51/14/27/1137511427.db2.gz WHVPWHDRYAJDSG-NMIHRBCNSA-N 2 1 343.559 3.877 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC001171962955 1137520139 /nfs/dbraw/zinc/52/01/39/1137520139.db2.gz DJAJLWHUKGTKCD-FQEVSTJZSA-N 2 1 338.495 3.968 20 0 EHADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971728 1137523596 /nfs/dbraw/zinc/52/35/96/1137523596.db2.gz JOQRKBLPEMAAOS-VQTJNVASSA-N 3 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971728 1137523597 /nfs/dbraw/zinc/52/35/97/1137523597.db2.gz JOQRKBLPEMAAOS-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971728 1137523598 /nfs/dbraw/zinc/52/35/98/1137523598.db2.gz JOQRKBLPEMAAOS-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001171973179 1137524199 /nfs/dbraw/zinc/52/41/99/1137524199.db2.gz GPWHAURXZJAZEJ-AWEZNQCLSA-N 2 1 328.422 3.910 20 0 EHADMP CCOC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974500 1137524768 /nfs/dbraw/zinc/52/47/68/1137524768.db2.gz HFPFDVSPZVJHLL-GOSISDBHSA-N 2 1 346.515 3.609 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171975101 1137524877 /nfs/dbraw/zinc/52/48/77/1137524877.db2.gz KVPKGUUQADARHV-OAQYLSRUSA-N 3 1 337.511 3.678 20 0 EHADMP CC1(C)C[C@H](NCc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171975101 1137524878 /nfs/dbraw/zinc/52/48/78/1137524878.db2.gz KVPKGUUQADARHV-OAQYLSRUSA-N 2 1 337.511 3.678 20 0 EHADMP CC1(C)C[C@H](NCc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171975101 1137524879 /nfs/dbraw/zinc/52/48/79/1137524879.db2.gz KVPKGUUQADARHV-OAQYLSRUSA-N 2 1 337.511 3.678 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH3+])CCN1Cc1ccccc1 ZINC001171975101 1137524880 /nfs/dbraw/zinc/52/48/80/1137524880.db2.gz KVPKGUUQADARHV-OAQYLSRUSA-N 2 1 337.511 3.678 20 0 EHADMP CC[NH+](CC)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976752 1137524994 /nfs/dbraw/zinc/52/49/94/1137524994.db2.gz NJIBJBVKWGEOHP-FQEVSTJZSA-N 2 1 331.548 3.703 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978202 1137526172 /nfs/dbraw/zinc/52/61/72/1137526172.db2.gz XCNKQNRQLYXBNA-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978202 1137526173 /nfs/dbraw/zinc/52/61/73/1137526173.db2.gz XCNKQNRQLYXBNA-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978202 1137526175 /nfs/dbraw/zinc/52/61/75/1137526175.db2.gz XCNKQNRQLYXBNA-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978202 1137526177 /nfs/dbraw/zinc/52/61/77/1137526177.db2.gz XCNKQNRQLYXBNA-HOJAQTOUSA-N 2 1 330.516 3.522 20 0 EHADMP C[N@@H+](CCc1ccccn1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171978532 1137526255 /nfs/dbraw/zinc/52/62/55/1137526255.db2.gz ZBEYCVXQGDEWQL-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978532 1137526256 /nfs/dbraw/zinc/52/62/56/1137526256.db2.gz ZBEYCVXQGDEWQL-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978532 1137526257 /nfs/dbraw/zinc/52/62/57/1137526257.db2.gz ZBEYCVXQGDEWQL-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171980188 1137526411 /nfs/dbraw/zinc/52/64/11/1137526411.db2.gz SSPFYKIPBICGPZ-IBGZPJMESA-N 2 1 330.516 3.978 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171980302 1137526776 /nfs/dbraw/zinc/52/67/76/1137526776.db2.gz IABHBXALDYXGGJ-IBGZPJMESA-N 2 1 328.500 3.542 20 0 EHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171980705 1137526864 /nfs/dbraw/zinc/52/68/64/1137526864.db2.gz GGSWEZSLSMNGSO-NRFANRHFSA-N 3 1 343.559 3.703 20 0 EHADMP C[NH+](CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980705 1137526866 /nfs/dbraw/zinc/52/68/66/1137526866.db2.gz GGSWEZSLSMNGSO-NRFANRHFSA-N 3 1 343.559 3.703 20 0 EHADMP C[NH+](CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980705 1137526867 /nfs/dbraw/zinc/52/68/67/1137526867.db2.gz GGSWEZSLSMNGSO-NRFANRHFSA-N 3 1 343.559 3.703 20 0 EHADMP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171980705 1137526869 /nfs/dbraw/zinc/52/68/69/1137526869.db2.gz GGSWEZSLSMNGSO-NRFANRHFSA-N 2 1 343.559 3.703 20 0 EHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171980705 1137526871 /nfs/dbraw/zinc/52/68/71/1137526871.db2.gz GGSWEZSLSMNGSO-NRFANRHFSA-N 2 1 343.559 3.703 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986201 1137527364 /nfs/dbraw/zinc/52/73/64/1137527364.db2.gz GKEUHEGBXZMKRJ-SFTDATJTSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986201 1137527365 /nfs/dbraw/zinc/52/73/65/1137527365.db2.gz GKEUHEGBXZMKRJ-SFTDATJTSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986201 1137527366 /nfs/dbraw/zinc/52/73/66/1137527366.db2.gz GKEUHEGBXZMKRJ-SFTDATJTSA-N 2 1 343.559 3.844 20 0 EHADMP CO[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988305 1137527902 /nfs/dbraw/zinc/52/79/02/1137527902.db2.gz RGXQIKBUMBJYQH-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988305 1137527904 /nfs/dbraw/zinc/52/79/04/1137527904.db2.gz RGXQIKBUMBJYQH-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171988305 1137527906 /nfs/dbraw/zinc/52/79/06/1137527906.db2.gz RGXQIKBUMBJYQH-VQTJNVASSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](CCO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988447 1137528304 /nfs/dbraw/zinc/52/83/04/1137528304.db2.gz RPVJZEUVMDTAFT-PMACEKPBSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988447 1137528305 /nfs/dbraw/zinc/52/83/05/1137528305.db2.gz RPVJZEUVMDTAFT-PMACEKPBSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](CCO)C2)CC[NH+]1Cc1ccccc1 ZINC001171988447 1137528306 /nfs/dbraw/zinc/52/83/06/1137528306.db2.gz RPVJZEUVMDTAFT-PMACEKPBSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@H+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090687 1137531926 /nfs/dbraw/zinc/53/19/26/1137531926.db2.gz WBKDTTBLHFNVFM-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090687 1137531928 /nfs/dbraw/zinc/53/19/28/1137531928.db2.gz WBKDTTBLHFNVFM-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090687 1137531930 /nfs/dbraw/zinc/53/19/30/1137531930.db2.gz WBKDTTBLHFNVFM-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090687 1137531931 /nfs/dbraw/zinc/53/19/31/1137531931.db2.gz WBKDTTBLHFNVFM-MHTWAQMVSA-N 2 1 328.500 3.683 20 0 EHADMP CCOC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065153 1137533744 /nfs/dbraw/zinc/53/37/44/1137533744.db2.gz LXCDAIPMLIAOBN-FFGOWVMKSA-N 2 1 344.499 3.503 20 0 EHADMP OC[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069913 1137534831 /nfs/dbraw/zinc/53/48/31/1137534831.db2.gz VTPIMUQAQZPGOC-FNAHDJPLSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069913 1137534832 /nfs/dbraw/zinc/53/48/32/1137534832.db2.gz VTPIMUQAQZPGOC-FNAHDJPLSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069913 1137534833 /nfs/dbraw/zinc/53/48/33/1137534833.db2.gz VTPIMUQAQZPGOC-FNAHDJPLSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069913 1137534834 /nfs/dbraw/zinc/53/48/34/1137534834.db2.gz VTPIMUQAQZPGOC-FNAHDJPLSA-N 2 1 342.527 3.667 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001172127145 1137534915 /nfs/dbraw/zinc/53/49/15/1137534915.db2.gz HCYNETFUYLOEMY-ACDBMABISA-N 2 1 340.511 3.683 20 0 EHADMP c1csc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172069826 1137535253 /nfs/dbraw/zinc/53/52/53/1137535253.db2.gz XWJMQQTYBQCRKS-REPLKXPHSA-N 2 1 341.524 3.861 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130519 1137535484 /nfs/dbraw/zinc/53/54/84/1137535484.db2.gz PMFWHEHTBLVURX-KJJMTIBFSA-N 2 1 341.543 3.598 20 0 EHADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130519 1137535485 /nfs/dbraw/zinc/53/54/85/1137535485.db2.gz PMFWHEHTBLVURX-KJJMTIBFSA-N 2 1 341.543 3.598 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172130089 1137535555 /nfs/dbraw/zinc/53/55/55/1137535555.db2.gz HKLMUZIDYLBSLC-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130089 1137535557 /nfs/dbraw/zinc/53/55/57/1137535557.db2.gz HKLMUZIDYLBSLC-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130089 1137535558 /nfs/dbraw/zinc/53/55/58/1137535558.db2.gz HKLMUZIDYLBSLC-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172130089 1137535560 /nfs/dbraw/zinc/53/55/60/1137535560.db2.gz HKLMUZIDYLBSLC-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172130089 1137535562 /nfs/dbraw/zinc/53/55/62/1137535562.db2.gz HKLMUZIDYLBSLC-IYWMVGAKSA-N 2 1 342.483 3.625 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101954 1137536629 /nfs/dbraw/zinc/53/66/29/1137536629.db2.gz IKUXZLZCGFUVTP-ZJPYXAASSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101954 1137536630 /nfs/dbraw/zinc/53/66/30/1137536630.db2.gz IKUXZLZCGFUVTP-ZJPYXAASSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001172107711 1137537283 /nfs/dbraw/zinc/53/72/83/1137537283.db2.gz GKLPTYFDGHLPEK-OSYLJGHBSA-N 2 1 327.497 3.915 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001172107711 1137537285 /nfs/dbraw/zinc/53/72/85/1137537285.db2.gz GKLPTYFDGHLPEK-OSYLJGHBSA-N 2 1 327.497 3.915 20 0 EHADMP COc1ccc(CC(C)(C)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172112579 1137537674 /nfs/dbraw/zinc/53/76/74/1137537674.db2.gz XZPOFMZZBWPCJA-LDLYASANSA-N 2 1 330.516 3.869 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccc(Cl)cc3)CC1)C2 ZINC001172111317 1137537772 /nfs/dbraw/zinc/53/77/72/1137537772.db2.gz QAHWMRMOWCUJOG-REPLKXPHSA-N 2 1 347.934 3.605 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(F)c3)CC1)C2 ZINC001172120144 1137538288 /nfs/dbraw/zinc/53/82/88/1137538288.db2.gz DGHWDAOMBXVEID-PIIMJCKOSA-N 2 1 332.463 3.684 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(F)c3)CC1)C2 ZINC001172120144 1137538290 /nfs/dbraw/zinc/53/82/90/1137538290.db2.gz DGHWDAOMBXVEID-PIIMJCKOSA-N 2 1 332.463 3.684 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001172115216 1137538565 /nfs/dbraw/zinc/53/85/65/1137538565.db2.gz SDHHGICMYKUACV-REPLKXPHSA-N 2 1 347.934 3.605 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001172114788 1137538568 /nfs/dbraw/zinc/53/85/68/1137538568.db2.gz QMHZCKXLPCPVCU-NCOADZHNSA-N 2 1 341.474 3.784 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001172115964 1137538612 /nfs/dbraw/zinc/53/86/12/1137538612.db2.gz WQVMHIVQGKWQFK-LWYYNNOASA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001172115964 1137538614 /nfs/dbraw/zinc/53/86/14/1137538614.db2.gz WQVMHIVQGKWQFK-LWYYNNOASA-N 2 1 347.934 3.519 20 0 EHADMP COc1ccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172122472 1137538928 /nfs/dbraw/zinc/53/89/28/1137538928.db2.gz QXINOSNMVHLXAR-ACDBMABISA-N 2 1 328.500 3.890 20 0 EHADMP COc1ccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172122472 1137538929 /nfs/dbraw/zinc/53/89/29/1137538929.db2.gz QXINOSNMVHLXAR-ACDBMABISA-N 2 1 328.500 3.890 20 0 EHADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2C)CC1 ZINC001172246342 1137544259 /nfs/dbraw/zinc/54/42/59/1137544259.db2.gz BFJMCSDIPRPAHK-UHFFFAOYSA-N 2 1 344.421 3.604 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245692 1137544326 /nfs/dbraw/zinc/54/43/26/1137544326.db2.gz MYQDJLYIFKRKDM-IHWFROFDSA-N 2 1 346.902 3.722 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245692 1137544328 /nfs/dbraw/zinc/54/43/28/1137544328.db2.gz MYQDJLYIFKRKDM-IHWFROFDSA-N 2 1 346.902 3.722 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001172253799 1137544977 /nfs/dbraw/zinc/54/49/77/1137544977.db2.gz CAAWPKUVNGHZQZ-LJQANCHMSA-N 2 1 336.907 3.978 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001172253799 1137544978 /nfs/dbraw/zinc/54/49/78/1137544978.db2.gz CAAWPKUVNGHZQZ-LJQANCHMSA-N 2 1 336.907 3.978 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334536 1137551654 /nfs/dbraw/zinc/55/16/54/1137551654.db2.gz MZJVNHNEOXGMOY-HNBVOPMISA-N 2 1 333.520 3.747 20 0 EHADMP CCOCC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422625 1137556569 /nfs/dbraw/zinc/55/65/69/1137556569.db2.gz VOTGHULEEFFDRP-BHIYHBOVSA-N 2 1 334.504 3.582 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031560 1137566439 /nfs/dbraw/zinc/56/64/39/1137566439.db2.gz KLCFQORGFKTVMK-RTWAWAEBSA-N 2 1 342.527 3.632 20 0 EHADMP CC[C@H](CCC(F)(F)F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000872044368 1137567424 /nfs/dbraw/zinc/56/74/24/1137567424.db2.gz AKVWIWCXXYVZKJ-OAHLLOKOSA-N 2 1 336.442 3.732 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C[C@@H]4CCC[C@H]4O2)C3)cc1 ZINC000872109800 1137571732 /nfs/dbraw/zinc/57/17/32/1137571732.db2.gz RSFCXOLXFMGRPA-KINXCBNHSA-N 2 1 340.511 3.729 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C[C@H]4CCC[C@H]4O2)C3)cc1 ZINC000872109801 1137571784 /nfs/dbraw/zinc/57/17/84/1137571784.db2.gz RSFCXOLXFMGRPA-OVQJPPBNSA-N 2 1 340.511 3.729 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872122377 1137572654 /nfs/dbraw/zinc/57/26/54/1137572654.db2.gz FEMCVACXMMPIOY-KDOFPFPSSA-N 2 1 343.471 3.666 20 0 EHADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC000873232837 1137594668 /nfs/dbraw/zinc/59/46/68/1137594668.db2.gz ZDPMHJJUTXDGHR-PXNSSMCTSA-N 2 1 332.536 3.639 20 0 EHADMP ClC1(Cl)C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000877033369 1137668265 /nfs/dbraw/zinc/66/82/65/1137668265.db2.gz XGTIGRJZSHNSBA-XYTVBORESA-N 2 1 339.310 3.965 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878148619 1137704510 /nfs/dbraw/zinc/70/45/10/1137704510.db2.gz QMBXFNRCVMUTCW-TYPHKJRUSA-N 2 1 330.516 3.961 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878157119 1137705029 /nfs/dbraw/zinc/70/50/29/1137705029.db2.gz VSKMEEHXPCZXJB-NNWRFLSQSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878157119 1137705030 /nfs/dbraw/zinc/70/50/30/1137705030.db2.gz VSKMEEHXPCZXJB-NNWRFLSQSA-N 2 1 342.527 3.961 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878157119 1137705031 /nfs/dbraw/zinc/70/50/31/1137705031.db2.gz VSKMEEHXPCZXJB-NNWRFLSQSA-N 2 1 342.527 3.961 20 0 EHADMP CC(C)(O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000879964914 1137763548 /nfs/dbraw/zinc/76/35/48/1137763548.db2.gz SQLYHHFYYCZCDC-FQEVSTJZSA-N 2 1 330.516 3.655 20 0 EHADMP COCc1c(C)cc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC000883020066 1137841730 /nfs/dbraw/zinc/84/17/30/1137841730.db2.gz OOGVLWUJCXIYGR-YQQQUEKLSA-N 2 1 330.516 3.863 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883186512 1137847681 /nfs/dbraw/zinc/84/76/81/1137847681.db2.gz UIDLXPHHIBDSED-QRWLVFNGSA-N 2 1 345.462 3.724 20 0 EHADMP CC[C@@H]1C[C@H](CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCO1 ZINC000883345956 1137856192 /nfs/dbraw/zinc/85/61/92/1137856192.db2.gz OAINTRLFHHFSAM-JRGCBEDISA-N 2 1 343.515 3.588 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCOC1 ZINC000883352581 1137856990 /nfs/dbraw/zinc/85/69/90/1137856990.db2.gz DLVKAEIFXJUTSM-NJYVYQBISA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCOC1 ZINC000883352581 1137856991 /nfs/dbraw/zinc/85/69/91/1137856991.db2.gz DLVKAEIFXJUTSM-NJYVYQBISA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883368579 1137857848 /nfs/dbraw/zinc/85/78/48/1137857848.db2.gz UJHZSDGUGWOKKA-WLRLJWMZSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001202579336 1137882209 /nfs/dbraw/zinc/88/22/09/1137882209.db2.gz RZVZAGJFZLFMDR-ACRUOGEOSA-N 2 1 328.500 3.524 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001202579336 1137882210 /nfs/dbraw/zinc/88/22/10/1137882210.db2.gz RZVZAGJFZLFMDR-ACRUOGEOSA-N 2 1 328.500 3.524 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001202579336 1137882211 /nfs/dbraw/zinc/88/22/11/1137882211.db2.gz RZVZAGJFZLFMDR-ACRUOGEOSA-N 2 1 328.500 3.524 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000112517315 1137908220 /nfs/dbraw/zinc/90/82/20/1137908220.db2.gz JVIQENRXCIXZBF-HNNXBMFYSA-N 2 1 346.421 3.648 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331664104 1137916324 /nfs/dbraw/zinc/91/63/24/1137916324.db2.gz YXIATXJCINNBNP-MJGOQNOKSA-N 2 1 329.488 3.599 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1F ZINC000886512249 1138087114 /nfs/dbraw/zinc/08/71/14/1138087114.db2.gz AHCXSNIBBPKORY-LJQANCHMSA-N 2 1 341.434 3.540 20 0 EHADMP OCCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000886534982 1138091913 /nfs/dbraw/zinc/09/19/13/1138091913.db2.gz SEXGYRUJLDNMCS-ACRUOGEOSA-N 2 1 342.527 3.572 20 0 EHADMP COC1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886536212 1138092545 /nfs/dbraw/zinc/09/25/45/1138092545.db2.gz CYYCIJOLGOVIQK-BEIKLPRESA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000886537079 1138092705 /nfs/dbraw/zinc/09/27/05/1138092705.db2.gz SWHKIINBOAUOKR-YYWHXJBOSA-N 2 1 340.515 3.760 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000886537079 1138092708 /nfs/dbraw/zinc/09/27/08/1138092708.db2.gz SWHKIINBOAUOKR-YYWHXJBOSA-N 2 1 340.515 3.760 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)[nH+]c1C ZINC000886667495 1138111467 /nfs/dbraw/zinc/11/14/67/1138111467.db2.gz BNVPDNXRXCYUKI-UHFFFAOYSA-N 2 1 335.455 3.592 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CC4(CCC4)CO2)C3)cc1 ZINC000886701246 1138118733 /nfs/dbraw/zinc/11/87/33/1138118733.db2.gz MUCPKZWRXHNBNC-WOZUAGRISA-N 2 1 340.511 3.731 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818170 1138148710 /nfs/dbraw/zinc/14/87/10/1138148710.db2.gz BIGLXICAECVVIK-LEWJYISDSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400440 1138210524 /nfs/dbraw/zinc/21/05/24/1138210524.db2.gz OEYHFYMARDKXTR-FVQBIDKESA-N 2 1 337.305 3.597 20 0 EHADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400441 1138210580 /nfs/dbraw/zinc/21/05/80/1138210580.db2.gz OEYHFYMARDKXTR-CWRNSKLLSA-N 2 1 337.305 3.597 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000091726551 1138221045 /nfs/dbraw/zinc/22/10/45/1138221045.db2.gz XOHNUJMOCLPHSJ-PXNSSMCTSA-N 2 1 346.515 3.545 20 0 EHADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000093644958 1138239489 /nfs/dbraw/zinc/23/94/89/1138239489.db2.gz LLLWHLADSHKZTE-HIFRSBDPSA-N 2 1 342.430 3.601 20 0 EHADMP CCOc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OC(F)F ZINC000093644958 1138239491 /nfs/dbraw/zinc/23/94/91/1138239491.db2.gz LLLWHLADSHKZTE-HIFRSBDPSA-N 2 1 342.430 3.601 20 0 EHADMP CCOc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OC(F)F ZINC000093644958 1138239492 /nfs/dbraw/zinc/23/94/92/1138239492.db2.gz LLLWHLADSHKZTE-HIFRSBDPSA-N 2 1 342.430 3.601 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000121803849 1138250218 /nfs/dbraw/zinc/25/02/18/1138250218.db2.gz ZEKGBPLRGBYGIK-FQEVSTJZSA-N 2 1 326.484 3.605 20 0 EHADMP CO[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000282986469 1138312803 /nfs/dbraw/zinc/31/28/03/1138312803.db2.gz FWKWCONHQGDLSO-HXUWFJFHSA-N 2 1 339.483 3.787 20 0 EHADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000264651898 1138591428 /nfs/dbraw/zinc/59/14/28/1138591428.db2.gz XHDXVAYTCDLFPH-CQSZACIVSA-N 2 1 333.501 3.633 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000338130006 1138760227 /nfs/dbraw/zinc/76/02/27/1138760227.db2.gz HMXIMLATUWKCEO-QZTJIDSGSA-N 2 1 345.531 3.521 20 0 EHADMP Clc1ccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000265475826 1138916206 /nfs/dbraw/zinc/91/62/06/1138916206.db2.gz FJKPXFQKXCHQKV-CQSZACIVSA-N 2 1 345.874 3.801 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC[NH+](C)C)s2)cc1 ZINC000151947106 1139065945 /nfs/dbraw/zinc/06/59/45/1139065945.db2.gz RHQRZPBTQVGGOQ-CYBMUJFWSA-N 2 1 333.501 3.729 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388429 1139088247 /nfs/dbraw/zinc/08/82/47/1139088247.db2.gz DUDLHODVNHBMSK-OLZOCXBDSA-N 2 1 328.378 3.720 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388429 1139088257 /nfs/dbraw/zinc/08/82/57/1139088257.db2.gz DUDLHODVNHBMSK-OLZOCXBDSA-N 2 1 328.378 3.720 20 0 EHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000177327122 1139612820 /nfs/dbraw/zinc/61/28/20/1139612820.db2.gz GBEGQBXTICYWDS-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000177327122 1139612823 /nfs/dbraw/zinc/61/28/23/1139612823.db2.gz GBEGQBXTICYWDS-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000178695627 1139711943 /nfs/dbraw/zinc/71/19/43/1139711943.db2.gz USJHIRMMMZOSRC-AWEZNQCLSA-N 2 1 328.435 3.552 20 0 EHADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@@H]1O ZINC000180155357 1139814260 /nfs/dbraw/zinc/81/42/60/1139814260.db2.gz NYNZXPZNPWWMNY-GLHNNUHNSA-N 2 1 342.527 3.713 20 0 EHADMP CCC[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180151187 1139814390 /nfs/dbraw/zinc/81/43/90/1139814390.db2.gz RKWNKEUYFUGLTI-LBFURVHYSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180442523 1139836038 /nfs/dbraw/zinc/83/60/38/1139836038.db2.gz UQHPAQFZRQHUJW-WBVHZDCISA-N 2 1 336.483 3.764 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000183194603 1140019590 /nfs/dbraw/zinc/01/95/90/1140019590.db2.gz GTPICYXHHVJPAT-LUQKVYGDSA-N 2 1 328.500 3.925 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000183192555 1140020133 /nfs/dbraw/zinc/02/01/33/1140020133.db2.gz CFPBUTCDFNYMJK-FRQCXROJSA-N 2 1 343.515 3.949 20 0 EHADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000187777982 1140271351 /nfs/dbraw/zinc/27/13/51/1140271351.db2.gz GRAFUDFCBUWCBZ-LPHOPBHVSA-N 2 1 344.478 3.740 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000187777982 1140271353 /nfs/dbraw/zinc/27/13/53/1140271353.db2.gz GRAFUDFCBUWCBZ-LPHOPBHVSA-N 2 1 344.478 3.740 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC000188656726 1140304173 /nfs/dbraw/zinc/30/41/73/1140304173.db2.gz NRDHOBSYPSSGMS-CJNGLKHVSA-N 2 1 326.406 3.809 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)OC)sc1C ZINC000191494472 1140467540 /nfs/dbraw/zinc/46/75/40/1140467540.db2.gz GMDVQALNULZXDG-UHFFFAOYSA-N 2 1 349.500 3.514 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)OC)sc1C ZINC000191494472 1140467541 /nfs/dbraw/zinc/46/75/41/1140467541.db2.gz GMDVQALNULZXDG-UHFFFAOYSA-N 2 1 349.500 3.514 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4occc43)CC2)oc1C ZINC000192856647 1140554101 /nfs/dbraw/zinc/55/41/01/1140554101.db2.gz WPIMPXFPAGOMGO-SFHVURJKSA-N 2 1 343.471 3.764 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193971732 1140592247 /nfs/dbraw/zinc/59/22/47/1140592247.db2.gz ZSFTYQPJRZHADO-HSALFYBXSA-N 2 1 328.500 3.574 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC(F)F ZINC000268773787 1140987629 /nfs/dbraw/zinc/98/76/29/1140987629.db2.gz ALNJBLUSESWKQT-LBPRGKRZSA-N 2 1 339.386 3.542 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835580 1141003788 /nfs/dbraw/zinc/00/37/88/1141003788.db2.gz RXHASIMEZNGCGP-KGLIPLIRSA-N 2 1 342.405 3.763 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268866563 1141012337 /nfs/dbraw/zinc/01/23/37/1141012337.db2.gz NVKLJADDDKOWMR-GCJKJVERSA-N 2 1 341.543 3.504 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268883919 1141018161 /nfs/dbraw/zinc/01/81/61/1141018161.db2.gz XIZNIBXXIMMRBS-AEFFLSMTSA-N 2 1 343.540 3.891 20 0 EHADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000268883919 1141018166 /nfs/dbraw/zinc/01/81/66/1141018166.db2.gz XIZNIBXXIMMRBS-AEFFLSMTSA-N 2 1 343.540 3.891 20 0 EHADMP CCC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)cc1 ZINC000268901260 1141021304 /nfs/dbraw/zinc/02/13/04/1141021304.db2.gz RAXRQUUVMYRQFW-FQEVSTJZSA-N 2 1 346.515 3.771 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000269036972 1141053090 /nfs/dbraw/zinc/05/30/90/1141053090.db2.gz VRSCBPKZGBAAQV-UYAOXDASSA-N 2 1 330.516 3.693 20 0 EHADMP O[C@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1Cl ZINC000270324963 1141206624 /nfs/dbraw/zinc/20/66/24/1141206624.db2.gz JYGPUZXITDSODO-IAQYHMDHSA-N 2 1 340.254 3.630 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434700 1141222717 /nfs/dbraw/zinc/22/27/17/1141222717.db2.gz JGMOTKSQCUBTKZ-GHMZBOCLSA-N 2 1 328.287 3.711 20 0 EHADMP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000270819103 1141274475 /nfs/dbraw/zinc/27/44/75/1141274475.db2.gz AWOJSKSVDSPCFP-HXUWFJFHSA-N 2 1 339.414 3.718 20 0 EHADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC(F)F ZINC000271054106 1141301792 /nfs/dbraw/zinc/30/17/92/1141301792.db2.gz YHDMFNSRGQOYEF-UHFFFAOYSA-N 2 1 342.430 3.601 20 0 EHADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC(F)F ZINC000271054106 1141301798 /nfs/dbraw/zinc/30/17/98/1141301798.db2.gz YHDMFNSRGQOYEF-UHFFFAOYSA-N 2 1 342.430 3.601 20 0 EHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cscn2)cc1 ZINC000271113371 1141309428 /nfs/dbraw/zinc/30/94/28/1141309428.db2.gz HXEALKPHVPCIQD-OAHLLOKOSA-N 2 1 333.501 3.715 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000271562284 1141397434 /nfs/dbraw/zinc/39/74/34/1141397434.db2.gz XWXTUPAVWSNVCH-AEFFLSMTSA-N 2 1 329.513 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000271562284 1141397438 /nfs/dbraw/zinc/39/74/38/1141397438.db2.gz XWXTUPAVWSNVCH-AEFFLSMTSA-N 2 1 329.513 3.576 20 0 EHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000271564774 1141398177 /nfs/dbraw/zinc/39/81/77/1141398177.db2.gz UVADHUDILWPOIT-LEWJYISDSA-N 2 1 344.543 3.877 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000271567377 1141399687 /nfs/dbraw/zinc/39/96/87/1141399687.db2.gz YCSQYDGPSHBIAQ-HXUWFJFHSA-N 2 1 346.490 3.524 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000339182219 1141520503 /nfs/dbraw/zinc/52/05/03/1141520503.db2.gz HDIWZBKUMGGUBS-MRXNPFEDSA-N 2 1 327.472 3.759 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000339183534 1141521498 /nfs/dbraw/zinc/52/14/98/1141521498.db2.gz PEGMMNUQIWVZPR-INIZCTEOSA-N 2 1 327.472 3.759 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000339183534 1141521503 /nfs/dbraw/zinc/52/15/03/1141521503.db2.gz PEGMMNUQIWVZPR-INIZCTEOSA-N 2 1 327.472 3.759 20 0 EHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000348805330 1141582516 /nfs/dbraw/zinc/58/25/16/1141582516.db2.gz RSRFITCYMULMIB-OAHLLOKOSA-N 2 1 338.455 3.687 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000349142813 1141644707 /nfs/dbraw/zinc/64/47/07/1141644707.db2.gz ADLQRRIKRZYGCD-UHFFFAOYSA-N 2 1 341.459 3.649 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000349142813 1141644712 /nfs/dbraw/zinc/64/47/12/1141644712.db2.gz ADLQRRIKRZYGCD-UHFFFAOYSA-N 2 1 341.459 3.649 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000035010339 213004256 /nfs/dbraw/zinc/00/42/56/213004256.db2.gz BKALWEUGQRWECH-MRXNPFEDSA-N 2 1 325.294 3.974 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000537973583 1032074654 /nfs/dbraw/zinc/07/46/54/1032074654.db2.gz QYNZLEOKYQFTAH-RXVVDRJESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000537973583 1032074670 /nfs/dbraw/zinc/07/46/70/1032074670.db2.gz QYNZLEOKYQFTAH-RXVVDRJESA-N 2 1 330.516 3.836 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459411628 1032081679 /nfs/dbraw/zinc/08/16/79/1032081679.db2.gz QPVBEAODHUQFBW-HNNXBMFYSA-N 2 1 334.529 3.703 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3(C(F)(F)F)CC3)CC2)cc1 ZINC000579694332 1014209084 /nfs/dbraw/zinc/20/90/84/1014209084.db2.gz SKJYTYDHFWZZAJ-UHFFFAOYSA-N 2 1 344.396 3.765 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433827 1014431703 /nfs/dbraw/zinc/43/17/03/1014431703.db2.gz GICNWPNPBUDOIS-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433827 1014431708 /nfs/dbraw/zinc/43/17/08/1014431708.db2.gz GICNWPNPBUDOIS-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433827 1014431712 /nfs/dbraw/zinc/43/17/12/1014431712.db2.gz GICNWPNPBUDOIS-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000339433827 1014431714 /nfs/dbraw/zinc/43/17/14/1014431714.db2.gz GICNWPNPBUDOIS-QGZVFWFLSA-N 2 1 342.405 3.545 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000683224159 1015132067 /nfs/dbraw/zinc/13/20/67/1015132067.db2.gz DNCCTRBTKMNKAG-UHFFFAOYSA-N 2 1 329.488 3.853 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1cc(C)cc(C)c1 ZINC000683224159 1015132075 /nfs/dbraw/zinc/13/20/75/1015132075.db2.gz DNCCTRBTKMNKAG-UHFFFAOYSA-N 2 1 329.488 3.853 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000123606585 1015395831 /nfs/dbraw/zinc/39/58/31/1015395831.db2.gz VTWIVWJKCIRJJF-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001208920335 1015596334 /nfs/dbraw/zinc/59/63/34/1015596334.db2.gz FYMSFDQFMDJMTO-WOJBJXKFSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001208920335 1015596341 /nfs/dbraw/zinc/59/63/41/1015596341.db2.gz FYMSFDQFMDJMTO-WOJBJXKFSA-N 2 1 342.527 3.836 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001208920335 1015596346 /nfs/dbraw/zinc/59/63/46/1015596346.db2.gz FYMSFDQFMDJMTO-WOJBJXKFSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547732832 1015685400 /nfs/dbraw/zinc/68/54/00/1015685400.db2.gz BGTAJYBHEAFPBE-QWFCFKBJSA-N 2 1 349.563 3.505 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(CC(C)C)no2)CC1 ZINC000182763033 1032127908 /nfs/dbraw/zinc/12/79/08/1032127908.db2.gz IOUWHXSBSDQBAD-UHFFFAOYSA-N 2 1 336.524 3.602 20 0 EHADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183149831 1032137280 /nfs/dbraw/zinc/13/72/80/1032137280.db2.gz GGIUXRVUPSVWGW-HUUCEWRRSA-N 2 1 342.487 3.525 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430311620 1016318971 /nfs/dbraw/zinc/31/89/71/1016318971.db2.gz JQYBMNWHZGSULZ-UHFFFAOYSA-N 2 1 349.482 3.507 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430311620 1016318975 /nfs/dbraw/zinc/31/89/75/1016318975.db2.gz JQYBMNWHZGSULZ-UHFFFAOYSA-N 2 1 349.482 3.507 20 0 EHADMP COCC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000361317685 1016499434 /nfs/dbraw/zinc/49/94/34/1016499434.db2.gz BLLBQVINIFRPMW-NHCUHLMSSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317685 1016499437 /nfs/dbraw/zinc/49/94/37/1016499437.db2.gz BLLBQVINIFRPMW-NHCUHLMSSA-N 2 1 342.527 3.790 20 0 EHADMP COCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361317685 1016499446 /nfs/dbraw/zinc/49/94/46/1016499446.db2.gz BLLBQVINIFRPMW-NHCUHLMSSA-N 2 1 342.527 3.790 20 0 EHADMP c1nc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000589646769 1016808454 /nfs/dbraw/zinc/80/84/54/1016808454.db2.gz NCHOTRXMRPUYIP-LJQANCHMSA-N 2 1 334.467 3.565 20 0 EHADMP c1nc2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000589646769 1016808474 /nfs/dbraw/zinc/80/84/74/1016808474.db2.gz NCHOTRXMRPUYIP-LJQANCHMSA-N 2 1 334.467 3.565 20 0 EHADMP c1nc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000589646769 1016808485 /nfs/dbraw/zinc/80/84/85/1016808485.db2.gz NCHOTRXMRPUYIP-LJQANCHMSA-N 2 1 334.467 3.565 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000376665419 1016966117 /nfs/dbraw/zinc/96/61/17/1016966117.db2.gz UMJJJMDIPVJUFJ-KRWDZBQOSA-N 2 1 326.488 3.617 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000340349950 1017001723 /nfs/dbraw/zinc/00/17/23/1017001723.db2.gz JFFBWUFHTIHBPW-SFTDATJTSA-N 2 1 342.527 3.846 20 0 EHADMP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167280948 1017062117 /nfs/dbraw/zinc/06/21/17/1017062117.db2.gz JQKZZKQLYCAUBS-HNNXBMFYSA-N 2 1 329.410 3.663 20 0 EHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000459456098 1032155035 /nfs/dbraw/zinc/15/50/35/1032155035.db2.gz GFOIVLIECAMGLA-UHFFFAOYSA-N 2 1 346.544 3.980 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000449074292 1032160662 /nfs/dbraw/zinc/16/06/62/1032160662.db2.gz KFTISZFCUOHFEG-LBPRGKRZSA-N 2 1 349.450 3.662 20 0 EHADMP Fc1cccc(F)c1-c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000449074292 1032160664 /nfs/dbraw/zinc/16/06/64/1032160664.db2.gz KFTISZFCUOHFEG-LBPRGKRZSA-N 2 1 349.450 3.662 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000459482682 1032176107 /nfs/dbraw/zinc/17/61/07/1032176107.db2.gz AXBPNWXSFPOEMT-MRXNPFEDSA-N 2 1 348.288 3.638 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449107042 1032186654 /nfs/dbraw/zinc/18/66/54/1032186654.db2.gz LDVXBJXPKKISMU-HZMBPMFUSA-N 2 1 329.257 3.505 20 0 EHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183754234 1032201047 /nfs/dbraw/zinc/20/10/47/1032201047.db2.gz JSYWPQZCPLRWPU-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183754234 1032201059 /nfs/dbraw/zinc/20/10/59/1032201059.db2.gz JSYWPQZCPLRWPU-NRFANRHFSA-N 2 1 340.515 3.568 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634029 1032209504 /nfs/dbraw/zinc/20/95/04/1032209504.db2.gz PCXXSSCCFFGKEG-DBXWQHBBSA-N 2 1 338.495 3.966 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634029 1032209524 /nfs/dbraw/zinc/20/95/24/1032209524.db2.gz PCXXSSCCFFGKEG-DBXWQHBBSA-N 2 1 338.495 3.966 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccn1 ZINC000449123257 1032215747 /nfs/dbraw/zinc/21/57/47/1032215747.db2.gz BYXVAJWFNGRKDC-UHFFFAOYSA-N 2 1 333.520 3.859 20 0 EHADMP OCCC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525166 1032244860 /nfs/dbraw/zinc/24/48/60/1032244860.db2.gz BUBBPNQVKQAAJF-NRFANRHFSA-N 2 1 330.516 3.526 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(CSC)CC2)[C@H](C)C1 ZINC000449144121 1032247811 /nfs/dbraw/zinc/24/78/11/1032247811.db2.gz YHYRLHBBUPDGMN-UGXKVIGPSA-N 2 1 342.593 3.635 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654836 1032252623 /nfs/dbraw/zinc/25/26/23/1032252623.db2.gz KCLIFSSGXFYBST-UGKGYDQZSA-N 2 1 338.495 3.846 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379654836 1032252635 /nfs/dbraw/zinc/25/26/35/1032252635.db2.gz KCLIFSSGXFYBST-UGKGYDQZSA-N 2 1 338.495 3.846 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850240 1032259271 /nfs/dbraw/zinc/25/92/71/1032259271.db2.gz GQZFAUWMWZBDCZ-GJZGRUSLSA-N 2 1 340.458 3.677 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850240 1032259284 /nfs/dbraw/zinc/25/92/84/1032259284.db2.gz GQZFAUWMWZBDCZ-GJZGRUSLSA-N 2 1 340.458 3.677 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000536827474 1032306642 /nfs/dbraw/zinc/30/66/42/1032306642.db2.gz PFENDIOVCBBQBM-CMKODMSKSA-N 2 1 330.516 3.692 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449223679 1032342031 /nfs/dbraw/zinc/34/20/31/1032342031.db2.gz YEPYCVBAAWNBAD-UHFFFAOYSA-N 2 1 339.455 3.910 20 0 EHADMP CC[C@](O)(C[NH2+]C1CCN([C@H](C)c2ccccc2)CC1)C(F)(F)F ZINC000905122254 1032351528 /nfs/dbraw/zinc/35/15/28/1032351528.db2.gz LJTRIFGWSPOWJX-PBHICJAKSA-N 2 1 344.421 3.505 20 0 EHADMP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000459657617 1032381761 /nfs/dbraw/zinc/38/17/61/1032381761.db2.gz NSCYJIRAZUJXAZ-RBBKRZOGSA-N 2 1 338.470 3.978 20 0 EHADMP CCCC[C@H](COC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000134047189 1032416807 /nfs/dbraw/zinc/41/68/07/1032416807.db2.gz OKMQVUURYSFPSN-HXUWFJFHSA-N 2 1 336.495 3.627 20 0 EHADMP C[N@@H+](Cc1ccccc1Oc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841966 1032424311 /nfs/dbraw/zinc/42/43/11/1032424311.db2.gz VYEYRBNJQSVMGC-QGZVFWFLSA-N 2 1 325.456 3.648 20 0 EHADMP C[N@H+](Cc1ccccc1Oc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841966 1032424319 /nfs/dbraw/zinc/42/43/19/1032424319.db2.gz VYEYRBNJQSVMGC-QGZVFWFLSA-N 2 1 325.456 3.648 20 0 EHADMP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841966 1032424326 /nfs/dbraw/zinc/42/43/26/1032424326.db2.gz VYEYRBNJQSVMGC-QGZVFWFLSA-N 2 1 325.456 3.648 20 0 EHADMP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841966 1032424331 /nfs/dbraw/zinc/42/43/31/1032424331.db2.gz VYEYRBNJQSVMGC-QGZVFWFLSA-N 2 1 325.456 3.648 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC3 ZINC000459729008 1032433037 /nfs/dbraw/zinc/43/30/37/1032433037.db2.gz DBDFKLJNHNKHIQ-SJORKVTESA-N 2 1 325.500 3.655 20 0 EHADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C2CCCC2)n1 ZINC000449291995 1032434544 /nfs/dbraw/zinc/43/45/44/1032434544.db2.gz BFFDJNTWEAMSHL-IBGZPJMESA-N 2 1 338.499 3.610 20 0 EHADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C2CCCC2)n1 ZINC000449291995 1032434549 /nfs/dbraw/zinc/43/45/49/1032434549.db2.gz BFFDJNTWEAMSHL-IBGZPJMESA-N 2 1 338.499 3.610 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000449317072 1032450759 /nfs/dbraw/zinc/45/07/59/1032450759.db2.gz AMWZOZFOHMCFCC-SFHVURJKSA-N 2 1 348.494 3.520 20 0 EHADMP CCCOc1c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cccc1OCC ZINC000459744056 1032457095 /nfs/dbraw/zinc/45/70/95/1032457095.db2.gz XPRSZVWQZQETCU-QGZVFWFLSA-N 2 1 334.504 3.696 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784033 1032466857 /nfs/dbraw/zinc/46/68/57/1032466857.db2.gz NXLGNRBVOCFTAY-AEFFLSMTSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459784033 1032466863 /nfs/dbraw/zinc/46/68/63/1032466863.db2.gz NXLGNRBVOCFTAY-AEFFLSMTSA-N 3 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784033 1032466866 /nfs/dbraw/zinc/46/68/66/1032466866.db2.gz NXLGNRBVOCFTAY-AEFFLSMTSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000459796692 1032479043 /nfs/dbraw/zinc/47/90/43/1032479043.db2.gz WFRMQMMZPFRQGO-ZIAGYGMSSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024588 1032489563 /nfs/dbraw/zinc/48/95/63/1032489563.db2.gz QUJVQKOMLFZVEN-YLJYHZDGSA-N 2 1 339.483 3.796 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)ccc1OCC(C)C ZINC000537068641 1032506921 /nfs/dbraw/zinc/50/69/21/1032506921.db2.gz LAHUSWSRIIANHM-AEFFLSMTSA-N 2 1 334.504 3.865 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000537096402 1032509860 /nfs/dbraw/zinc/50/98/60/1032509860.db2.gz UQOYVPVLMAJHGO-GFCCVEGCSA-N 2 1 343.284 3.593 20 0 EHADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449387808 1032512862 /nfs/dbraw/zinc/51/28/62/1032512862.db2.gz YFWIGLYDFPBRHV-MOPGFXCFSA-N 2 1 345.531 3.812 20 0 EHADMP O[C@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090545696 1032585656 /nfs/dbraw/zinc/58/56/56/1032585656.db2.gz XQZFRKVRFQGNQJ-UNMCSNQZSA-N 2 1 344.543 3.614 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131009963 1123030962 /nfs/dbraw/zinc/03/09/62/1123030962.db2.gz VAGUGSFAJNDWPA-LLVKDONJSA-N 2 1 329.257 3.723 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924597872 1017105543 /nfs/dbraw/zinc/10/55/43/1017105543.db2.gz BHVWQWDYBSPXNR-MRXNPFEDSA-N 2 1 331.504 3.806 20 0 EHADMP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000892737904 1017279832 /nfs/dbraw/zinc/27/98/32/1017279832.db2.gz OHDZXJWIDDDHCR-HNNXBMFYSA-N 2 1 334.460 3.595 20 0 EHADMP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000892737904 1017279842 /nfs/dbraw/zinc/27/98/42/1017279842.db2.gz OHDZXJWIDDDHCR-HNNXBMFYSA-N 2 1 334.460 3.595 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468556294 1017338658 /nfs/dbraw/zinc/33/86/58/1017338658.db2.gz VEQQTIPMMBJDFG-JMSVASOKSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468556294 1017338665 /nfs/dbraw/zinc/33/86/65/1017338665.db2.gz VEQQTIPMMBJDFG-JMSVASOKSA-N 2 1 343.284 3.592 20 0 EHADMP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655690839 1017397835 /nfs/dbraw/zinc/39/78/35/1017397835.db2.gz MBFPRJWDNHDBQQ-DYESRHJHSA-N 2 1 346.515 3.768 20 0 EHADMP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655690843 1017398165 /nfs/dbraw/zinc/39/81/65/1017398165.db2.gz MBFPRJWDNHDBQQ-UTKZUKDTSA-N 2 1 346.515 3.768 20 0 EHADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655708923 1017430225 /nfs/dbraw/zinc/43/02/25/1017430225.db2.gz PSUHHGIMVPZKCA-FQEVSTJZSA-N 2 1 330.516 3.506 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000415079295 1017518056 /nfs/dbraw/zinc/51/80/56/1017518056.db2.gz HVICYOAWVKJKOU-LVCYWYKZSA-N 2 1 344.547 3.507 20 0 EHADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000415078598 1017519352 /nfs/dbraw/zinc/51/93/52/1017519352.db2.gz IYQMIHBGCSYLOZ-OAQYLSRUSA-N 2 1 326.484 3.866 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1Cl ZINC000415086398 1017530210 /nfs/dbraw/zinc/53/02/10/1017530210.db2.gz ROBGZSDRYXVDQI-SJLPKXTDSA-N 2 1 330.859 3.932 20 0 EHADMP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655756579 1017547877 /nfs/dbraw/zinc/54/78/77/1017547877.db2.gz GTYNHINYWYINMF-PKOBYXMFSA-N 2 1 348.556 3.709 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000415105924 1017560570 /nfs/dbraw/zinc/56/05/70/1017560570.db2.gz ITTSSEAOTVNHJR-QZTJIDSGSA-N 2 1 340.870 3.506 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C34CCC[NH+]3CCC4)c2C1 ZINC000415121571 1017580819 /nfs/dbraw/zinc/58/08/19/1017580819.db2.gz IRADVMCBCRNACW-UHFFFAOYSA-N 2 1 341.499 3.615 20 0 EHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C1 ZINC000415125064 1017587310 /nfs/dbraw/zinc/58/73/10/1017587310.db2.gz NPMNKFWHNWVEOO-DOTOQJQBSA-N 2 1 343.298 3.712 20 0 EHADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275609914 1017711085 /nfs/dbraw/zinc/71/10/85/1017711085.db2.gz RAWCHKMRQILUAQ-LEWJYISDSA-N 2 1 342.527 3.632 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655839805 1017745261 /nfs/dbraw/zinc/74/52/61/1017745261.db2.gz WNQPLYJIDLWNGG-LEAZDLGRSA-N 2 1 330.516 3.833 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000377394682 1017747116 /nfs/dbraw/zinc/74/71/16/1017747116.db2.gz VAFAKTVPJTZFKK-DPVAKWRKSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000655848593 1017765844 /nfs/dbraw/zinc/76/58/44/1017765844.db2.gz IHPUBDWVVLFKEG-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000655848593 1017765853 /nfs/dbraw/zinc/76/58/53/1017765853.db2.gz IHPUBDWVVLFKEG-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000655848593 1017765862 /nfs/dbraw/zinc/76/58/62/1017765862.db2.gz IHPUBDWVVLFKEG-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCCO1 ZINC000655850550 1017772822 /nfs/dbraw/zinc/77/28/22/1017772822.db2.gz WUVPRFBAJBKMMC-SFTDATJTSA-N 2 1 348.506 3.770 20 0 EHADMP CCc1onc(C)c1CNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893020952 1018179626 /nfs/dbraw/zinc/17/96/26/1018179626.db2.gz RDGXONHJDOLOIG-RDTXWAMCSA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893020952 1018179644 /nfs/dbraw/zinc/17/96/44/1018179644.db2.gz RDGXONHJDOLOIG-RDTXWAMCSA-N 2 1 333.501 3.780 20 0 EHADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000893020952 1018179653 /nfs/dbraw/zinc/17/96/53/1018179653.db2.gz RDGXONHJDOLOIG-RDTXWAMCSA-N 2 1 333.501 3.780 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000584540051 1018444877 /nfs/dbraw/zinc/44/48/77/1018444877.db2.gz MIXWQOXQIHSZMQ-JCKWVBRZSA-N 2 1 330.501 3.580 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000584540051 1018444884 /nfs/dbraw/zinc/44/48/84/1018444884.db2.gz MIXWQOXQIHSZMQ-JCKWVBRZSA-N 2 1 330.501 3.580 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc4cnccc4c3)C2)cc1 ZINC000683769858 1018458328 /nfs/dbraw/zinc/45/83/28/1018458328.db2.gz OSRMIFFXRMEHSX-NRFANRHFSA-N 2 1 345.490 3.889 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(=O)OC)cc1 ZINC000340603335 1018640893 /nfs/dbraw/zinc/64/08/93/1018640893.db2.gz KADOJYLRNHKDGL-UHFFFAOYSA-N 2 1 340.467 3.557 20 0 EHADMP CCCC[N@@H+](C)CC1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000052208630 1018763586 /nfs/dbraw/zinc/76/35/86/1018763586.db2.gz QAKWUPIHFLJZMF-UHFFFAOYSA-N 2 1 348.516 3.742 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000052208630 1018763594 /nfs/dbraw/zinc/76/35/94/1018763594.db2.gz QAKWUPIHFLJZMF-UHFFFAOYSA-N 2 1 348.516 3.742 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000052208630 1018763608 /nfs/dbraw/zinc/76/36/08/1018763608.db2.gz QAKWUPIHFLJZMF-UHFFFAOYSA-N 2 1 348.516 3.742 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000052208752 1018868564 /nfs/dbraw/zinc/86/85/64/1018868564.db2.gz YOECPBHOKOHXDY-UHFFFAOYSA-N 2 1 342.487 3.681 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000052208752 1018868584 /nfs/dbraw/zinc/86/85/84/1018868584.db2.gz YOECPBHOKOHXDY-UHFFFAOYSA-N 2 1 342.487 3.681 20 0 EHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000449561621 1032811312 /nfs/dbraw/zinc/81/13/12/1032811312.db2.gz WGIVZBYXACKULR-HZTRTUMWSA-N 2 1 349.906 3.580 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513232145 1019428704 /nfs/dbraw/zinc/42/87/04/1019428704.db2.gz GKMSANPDNKVSPZ-JBACZVJFSA-N 2 1 332.532 3.816 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513232145 1019428714 /nfs/dbraw/zinc/42/87/14/1019428714.db2.gz GKMSANPDNKVSPZ-JBACZVJFSA-N 2 1 332.532 3.816 20 0 EHADMP CCC[C@@]1(CO)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000580679435 1019841987 /nfs/dbraw/zinc/84/19/87/1019841987.db2.gz XFUNMVHZBVZXKQ-OAQYLSRUSA-N 2 1 332.532 3.629 20 0 EHADMP CCC[C@@]1(CO)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000580679435 1019842005 /nfs/dbraw/zinc/84/20/05/1019842005.db2.gz XFUNMVHZBVZXKQ-OAQYLSRUSA-N 2 1 332.532 3.629 20 0 EHADMP CCC[C@@]1(CO)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000580679435 1019842016 /nfs/dbraw/zinc/84/20/16/1019842016.db2.gz XFUNMVHZBVZXKQ-OAQYLSRUSA-N 2 1 332.532 3.629 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(C)C ZINC000155818439 1019858142 /nfs/dbraw/zinc/85/81/42/1019858142.db2.gz MMJXEQUHVGAWBR-QGZVFWFLSA-N 2 1 347.503 3.803 20 0 EHADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000580733024 1019930448 /nfs/dbraw/zinc/93/04/48/1019930448.db2.gz QXWWSIJJKXKFJJ-QEFFHFBBSA-N 2 1 338.417 3.828 20 0 EHADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345159466 1019994346 /nfs/dbraw/zinc/99/43/46/1019994346.db2.gz HLVWCJSGXKXURR-OTWHNJEPSA-N 2 1 340.515 3.539 20 0 EHADMP CC[N@H+](Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000345189889 1020042710 /nfs/dbraw/zinc/04/27/10/1020042710.db2.gz OHDCIDBQNZIEME-CQSZACIVSA-N 2 1 329.257 3.552 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000345189889 1020042722 /nfs/dbraw/zinc/04/27/22/1020042722.db2.gz OHDCIDBQNZIEME-CQSZACIVSA-N 2 1 329.257 3.552 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000684112026 1020241905 /nfs/dbraw/zinc/24/19/05/1020241905.db2.gz JUGNDYVZTYGVJZ-FGTMMUONSA-N 2 1 332.536 3.546 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000684112026 1020241910 /nfs/dbraw/zinc/24/19/10/1020241910.db2.gz JUGNDYVZTYGVJZ-FGTMMUONSA-N 2 1 332.536 3.546 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000580991645 1020339763 /nfs/dbraw/zinc/33/97/63/1020339763.db2.gz QHZIHIBVVCBMNE-IRFCIJBXSA-N 2 1 346.563 3.792 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000581017924 1020362016 /nfs/dbraw/zinc/36/20/16/1020362016.db2.gz OXAOZYAQUZDXKJ-ACRUOGEOSA-N 2 1 342.527 3.836 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000280696112 1020574625 /nfs/dbraw/zinc/57/46/25/1020574625.db2.gz ABIWSUDNPSRAAM-BFGFKNPTSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@H](C)O1 ZINC000093844164 1032915304 /nfs/dbraw/zinc/91/53/04/1032915304.db2.gz STHGPIQWLGKINM-GJZGRUSLSA-N 2 1 340.895 3.644 20 0 EHADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278773721 1032921689 /nfs/dbraw/zinc/92/16/89/1032921689.db2.gz PHOKRBDYQHPZJV-BURNTYAHSA-N 2 1 342.527 3.569 20 0 EHADMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000501079256 1020698344 /nfs/dbraw/zinc/69/83/44/1020698344.db2.gz PAWUFWFNAAMKGM-UHFFFAOYSA-N 2 1 349.538 3.700 20 0 EHADMP Brc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091284522 1020822621 /nfs/dbraw/zinc/82/26/21/1020822621.db2.gz MQUDPTRDNUSGPH-YVEFUNNKSA-N 2 1 335.289 3.510 20 0 EHADMP Cn1cncc1CCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000581496489 1021015950 /nfs/dbraw/zinc/01/59/50/1021015950.db2.gz JXQHKVKEKQTBMO-UHFFFAOYSA-N 2 1 348.288 3.780 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000581496489 1021015960 /nfs/dbraw/zinc/01/59/60/1021015960.db2.gz JXQHKVKEKQTBMO-UHFFFAOYSA-N 2 1 348.288 3.780 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000581496489 1021015965 /nfs/dbraw/zinc/01/59/65/1021015965.db2.gz JXQHKVKEKQTBMO-UHFFFAOYSA-N 2 1 348.288 3.780 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179217 1021046634 /nfs/dbraw/zinc/04/66/34/1021046634.db2.gz FXAXDJAJEGIAQZ-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000439141483 1021176011 /nfs/dbraw/zinc/17/60/11/1021176011.db2.gz NCIWVOMHQBYZHL-CQSZACIVSA-N 2 1 340.290 3.756 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246585 1021179062 /nfs/dbraw/zinc/17/90/62/1021179062.db2.gz KNDIMZLFYUCYPY-PBFPGSCMSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246585 1021179070 /nfs/dbraw/zinc/17/90/70/1021179070.db2.gz KNDIMZLFYUCYPY-PBFPGSCMSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507462237 1021277455 /nfs/dbraw/zinc/27/74/55/1021277455.db2.gz OKPHINPYWHIZIG-JYRKZWEQSA-N 2 1 330.516 3.692 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)CCCC2)CC1 ZINC000507522152 1021331351 /nfs/dbraw/zinc/33/13/51/1021331351.db2.gz DUIMQIRRGVSDRL-VQTJNVASSA-N 2 1 334.548 3.968 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000684370529 1021377579 /nfs/dbraw/zinc/37/75/79/1021377579.db2.gz XANCSCNRUCMRGI-DUXKGJEZSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1nc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2s1 ZINC000426397899 1021491669 /nfs/dbraw/zinc/49/16/69/1021491669.db2.gz VLQZJFKULPGXJZ-KRWDZBQOSA-N 2 1 329.513 3.913 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2s1 ZINC000426397899 1021491679 /nfs/dbraw/zinc/49/16/79/1021491679.db2.gz VLQZJFKULPGXJZ-KRWDZBQOSA-N 2 1 329.513 3.913 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894858939 1021495477 /nfs/dbraw/zinc/49/54/77/1021495477.db2.gz AWLLHNQXRHPBIW-QGZVFWFLSA-N 2 1 335.904 3.867 20 0 EHADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000516519535 1021510682 /nfs/dbraw/zinc/51/06/82/1021510682.db2.gz ULRQESLDVJNUOC-CLAROIROSA-N 2 1 342.527 3.646 20 0 EHADMP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1OC(C)C ZINC000518765635 1021515363 /nfs/dbraw/zinc/51/53/63/1021515363.db2.gz SGKDJKKUJUBCRM-ROUUACIJSA-N 2 1 348.531 3.940 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426418693 1021531894 /nfs/dbraw/zinc/53/18/94/1021531894.db2.gz HWCIGQZQHWHCPD-SJORKVTESA-N 2 1 348.531 3.822 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426418693 1021531908 /nfs/dbraw/zinc/53/19/08/1021531908.db2.gz HWCIGQZQHWHCPD-SJORKVTESA-N 2 1 348.531 3.822 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CCCC2)cc1 ZINC000188012843 1021570623 /nfs/dbraw/zinc/57/06/23/1021570623.db2.gz RLVMEKSBBRHXCJ-FQEVSTJZSA-N 2 1 330.516 3.927 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3nccc4ccccc43)C2)cc1 ZINC000684410273 1021660222 /nfs/dbraw/zinc/66/02/22/1021660222.db2.gz DAXLWJQKLPLMDR-IBGZPJMESA-N 2 1 331.463 3.847 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cncc(Br)c1 ZINC000519834934 1021711484 /nfs/dbraw/zinc/71/14/84/1021711484.db2.gz WICJSCGRYTXZDP-GFCCVEGCSA-N 2 1 338.293 3.512 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188104656 1021838803 /nfs/dbraw/zinc/83/88/03/1021838803.db2.gz WFDSNOVVSKAHTB-FCHUYYIVSA-N 2 1 344.543 3.976 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437578687 1021964211 /nfs/dbraw/zinc/96/42/11/1021964211.db2.gz MHQXJEQAJFLIDY-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437578687 1021964218 /nfs/dbraw/zinc/96/42/18/1021964218.db2.gz MHQXJEQAJFLIDY-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437578687 1021964223 /nfs/dbraw/zinc/96/42/23/1021964223.db2.gz MHQXJEQAJFLIDY-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CCOC(CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OCC ZINC000276604761 1021977440 /nfs/dbraw/zinc/97/74/40/1021977440.db2.gz YKQADXHRYUYHNB-HNNXBMFYSA-N 2 1 331.460 3.621 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000276652124 1022052567 /nfs/dbraw/zinc/05/25/67/1022052567.db2.gz MLXGFFPAYLEJQI-DOTOQJQBSA-N 2 1 337.389 3.907 20 0 EHADMP C[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437699271 1022068540 /nfs/dbraw/zinc/06/85/40/1022068540.db2.gz IAQOSVWFLUFDRD-OKZBNKHCSA-N 2 1 348.506 3.750 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000440332457 1022097294 /nfs/dbraw/zinc/09/72/94/1022097294.db2.gz DEUHQEVOYFBSEG-HOTGVXAUSA-N 2 1 344.528 3.663 20 0 EHADMP CCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000517343119 1022257746 /nfs/dbraw/zinc/25/77/46/1022257746.db2.gz FRMDTTKJWSPSTE-UHFFFAOYSA-N 2 1 331.504 3.731 20 0 EHADMP CCC[NH+](C)CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000517343119 1022257756 /nfs/dbraw/zinc/25/77/56/1022257756.db2.gz FRMDTTKJWSPSTE-UHFFFAOYSA-N 2 1 331.504 3.731 20 0 EHADMP CCC[NH+](C)CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000517343119 1022257764 /nfs/dbraw/zinc/25/77/64/1022257764.db2.gz FRMDTTKJWSPSTE-UHFFFAOYSA-N 2 1 331.504 3.731 20 0 EHADMP COc1c(F)cc(F)cc1C[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001143568089 1022288725 /nfs/dbraw/zinc/28/87/25/1022288725.db2.gz MISNZCLQORTZTJ-UHFFFAOYSA-N 2 1 338.442 3.812 20 0 EHADMP COc1c(F)cc(F)cc1CN(C1CCCC1)C1CC[NH+](C)CC1 ZINC001143568089 1022288738 /nfs/dbraw/zinc/28/87/38/1022288738.db2.gz MISNZCLQORTZTJ-UHFFFAOYSA-N 2 1 338.442 3.812 20 0 EHADMP CC[N@H+](Cc1ccnn1C1CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455720 1022314001 /nfs/dbraw/zinc/31/40/01/1022314001.db2.gz IPZNEXYZEUAUOE-UHFFFAOYSA-N 2 1 326.488 3.692 20 0 EHADMP CC[N@@H+](Cc1ccnn1C1CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455720 1022314017 /nfs/dbraw/zinc/31/40/17/1022314017.db2.gz IPZNEXYZEUAUOE-UHFFFAOYSA-N 2 1 326.488 3.692 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455711 1022314155 /nfs/dbraw/zinc/31/41/55/1022314155.db2.gz IGZKQOXDBUGQLD-UHFFFAOYSA-N 2 1 328.504 3.774 20 0 EHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438198854 1022454205 /nfs/dbraw/zinc/45/42/05/1022454205.db2.gz FGYLQYTXMBQWAI-SFTDATJTSA-N 2 1 342.527 3.731 20 0 EHADMP CC[C@@H](c1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973177 1022518880 /nfs/dbraw/zinc/51/88/80/1022518880.db2.gz GRRZEIOHJGJRIN-FCHUYYIVSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973177 1022518888 /nfs/dbraw/zinc/51/88/88/1022518888.db2.gz GRRZEIOHJGJRIN-FCHUYYIVSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425973177 1022518898 /nfs/dbraw/zinc/51/88/98/1022518898.db2.gz GRRZEIOHJGJRIN-FCHUYYIVSA-N 2 1 338.495 3.707 20 0 EHADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425973177 1022518910 /nfs/dbraw/zinc/51/89/10/1022518910.db2.gz GRRZEIOHJGJRIN-FCHUYYIVSA-N 2 1 338.495 3.707 20 0 EHADMP Cc1nc(-c2ccc([C@@H](C)[NH2+]CCn3cc[nH+]c3C)cc2)cs1 ZINC000341610405 1022548240 /nfs/dbraw/zinc/54/82/40/1022548240.db2.gz ZEXOPCWEZABWID-CYBMUJFWSA-N 2 1 326.469 3.974 20 0 EHADMP Fc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c1F ZINC000426059691 1022788806 /nfs/dbraw/zinc/78/88/06/1022788806.db2.gz FMJASBNQPOJEST-HZPDHXFCSA-N 2 1 334.454 3.993 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000430949660 1022938620 /nfs/dbraw/zinc/93/86/20/1022938620.db2.gz OJQYKRGHQGWUFP-DYESRHJHSA-N 2 1 346.478 3.708 20 0 EHADMP CCC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1F ZINC000638744927 1023012937 /nfs/dbraw/zinc/01/29/37/1023012937.db2.gz ZUCLKCCMHLPJQA-SFHVURJKSA-N 2 1 340.458 3.631 20 0 EHADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000414963508 1023101071 /nfs/dbraw/zinc/10/10/71/1023101071.db2.gz KXDLNFIOKVFCRL-BAGYTPMASA-N 2 1 335.495 3.577 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414977036 1023230029 /nfs/dbraw/zinc/23/00/29/1023230029.db2.gz JLJVYLDDNOWCQH-GOSISDBHSA-N 2 1 338.430 3.505 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000510944285 1023525457 /nfs/dbraw/zinc/52/54/57/1023525457.db2.gz IUNSGTWNXCIVIK-MRXNPFEDSA-N 2 1 342.487 3.712 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc4OC3)CC2)cc1 ZINC000510980546 1023547724 /nfs/dbraw/zinc/54/77/24/1023547724.db2.gz BNILPTNBQRMENX-NRFANRHFSA-N 2 1 336.479 3.634 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000302058296 1033159394 /nfs/dbraw/zinc/15/93/94/1033159394.db2.gz JPWSTKBYWGTAOQ-UHFFFAOYSA-N 2 1 331.463 3.989 20 0 EHADMP COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000192444475 1024009199 /nfs/dbraw/zinc/00/91/99/1024009199.db2.gz GNULEUSHCGQIQG-NNGSBXSVSA-N 2 1 341.455 3.563 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000514009729 1024033986 /nfs/dbraw/zinc/03/39/86/1024033986.db2.gz LPAFLKQEAZGLOH-UHFFFAOYSA-N 2 1 330.394 3.890 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000514009729 1024034009 /nfs/dbraw/zinc/03/40/09/1024034009.db2.gz LPAFLKQEAZGLOH-UHFFFAOYSA-N 2 1 330.394 3.890 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000427598203 1024150434 /nfs/dbraw/zinc/15/04/34/1024150434.db2.gz BTHHXAPQAXWRAD-MRXNPFEDSA-N 2 1 341.421 3.943 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039540 1024187912 /nfs/dbraw/zinc/18/79/12/1024187912.db2.gz POPSXWWQEKHVQW-WIYYLYMNSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H](CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039540 1024187923 /nfs/dbraw/zinc/18/79/23/1024187923.db2.gz POPSXWWQEKHVQW-WIYYLYMNSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H](CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039540 1024187931 /nfs/dbraw/zinc/18/79/31/1024187931.db2.gz POPSXWWQEKHVQW-WIYYLYMNSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004940 1024263110 /nfs/dbraw/zinc/26/31/10/1024263110.db2.gz CKOSXUIRXVDCLB-HATOLVCRSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168004940 1024263121 /nfs/dbraw/zinc/26/31/21/1024263121.db2.gz CKOSXUIRXVDCLB-HATOLVCRSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC001168023121 1024265928 /nfs/dbraw/zinc/26/59/28/1024265928.db2.gz VLNZUAMSIPJIMG-CLWJZODNSA-N 2 1 326.488 3.512 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC001168023121 1024265937 /nfs/dbraw/zinc/26/59/37/1024265937.db2.gz VLNZUAMSIPJIMG-CLWJZODNSA-N 2 1 326.488 3.512 20 0 EHADMP Brc1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000582014198 1024364872 /nfs/dbraw/zinc/36/48/72/1024364872.db2.gz KGSSJVZNWCBVRU-GFCCVEGCSA-N 2 1 349.272 3.769 20 0 EHADMP Brc1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000582014198 1024364892 /nfs/dbraw/zinc/36/48/92/1024364892.db2.gz KGSSJVZNWCBVRU-GFCCVEGCSA-N 2 1 349.272 3.769 20 0 EHADMP C[C@H]1CC(NCC[C@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025401 1024381939 /nfs/dbraw/zinc/38/19/39/1024381939.db2.gz KBSDMBDWPHTPAP-BBTUJRGHSA-N 2 1 329.532 3.502 20 0 EHADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511007705 1024414170 /nfs/dbraw/zinc/41/41/70/1024414170.db2.gz BWWOZXVIHFFQQZ-WOJBJXKFSA-N 2 1 332.532 3.938 20 0 EHADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511007705 1024414183 /nfs/dbraw/zinc/41/41/83/1024414183.db2.gz BWWOZXVIHFFQQZ-WOJBJXKFSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000472035918 1024424581 /nfs/dbraw/zinc/42/45/81/1024424581.db2.gz AVOWWDDOGQHCJA-JIPZTSHUSA-N 2 1 342.458 3.778 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000472035918 1024424589 /nfs/dbraw/zinc/42/45/89/1024424589.db2.gz AVOWWDDOGQHCJA-JIPZTSHUSA-N 2 1 342.458 3.778 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000346124578 1024425850 /nfs/dbraw/zinc/42/58/50/1024425850.db2.gz CQJMTWFEYRBCTI-UXPWSPDFSA-N 2 1 341.499 3.801 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000346124568 1024425921 /nfs/dbraw/zinc/42/59/21/1024425921.db2.gz CQJMTWFEYRBCTI-AHRSYUTCSA-N 2 1 341.499 3.801 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000280949942 1024478741 /nfs/dbraw/zinc/47/87/41/1024478741.db2.gz IPLZODYTMQLLPF-UHFFFAOYSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000280949942 1024478749 /nfs/dbraw/zinc/47/87/49/1024478749.db2.gz IPLZODYTMQLLPF-UHFFFAOYSA-N 3 1 341.543 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000280949942 1024478754 /nfs/dbraw/zinc/47/87/54/1024478754.db2.gz IPLZODYTMQLLPF-UHFFFAOYSA-N 3 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007774 1024492431 /nfs/dbraw/zinc/49/24/31/1024492431.db2.gz UMMIIJXAJOLMPW-RMFSNUHRSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2C2CCCCC2)C[C@@H]1C ZINC000346194092 1024513889 /nfs/dbraw/zinc/51/38/89/1024513889.db2.gz XSWNXWYSNFTTRI-LPHOPBHVSA-N 2 1 332.536 3.772 20 0 EHADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414862207 1024531780 /nfs/dbraw/zinc/53/17/80/1024531780.db2.gz VEZOTIWAOIUFMM-UYAOXDASSA-N 2 1 329.532 3.681 20 0 EHADMP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)cc2c1C ZINC000472059872 1024533793 /nfs/dbraw/zinc/53/37/93/1024533793.db2.gz PHLATTQSYDGUJM-UHFFFAOYSA-N 2 1 343.515 3.764 20 0 EHADMP Cc1ccncc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000281006589 1024539995 /nfs/dbraw/zinc/53/99/95/1024539995.db2.gz WJGDYSKVSAIIGU-UHFFFAOYSA-N 2 1 335.451 3.905 20 0 EHADMP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262130599 1024557771 /nfs/dbraw/zinc/55/77/71/1024557771.db2.gz YDMSSJWPGUXFPD-UHFFFAOYSA-N 2 1 333.907 3.516 20 0 EHADMP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)[nH]c2c1 ZINC000657293183 1024645572 /nfs/dbraw/zinc/64/55/72/1024645572.db2.gz JRGYTEWBBVTJNC-UHFFFAOYSA-N 2 1 349.478 3.598 20 0 EHADMP CCCC[N@@H+](C)CC1CCN(Cc2nc(CCC(C)C)no2)CC1 ZINC000064508697 1024687629 /nfs/dbraw/zinc/68/76/29/1024687629.db2.gz WJOGBCZYKCSSKC-UHFFFAOYSA-N 2 1 336.524 3.602 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000435380192 1024860161 /nfs/dbraw/zinc/86/01/61/1024860161.db2.gz PXCUSJMRMUFSDH-GOEBONIOSA-N 2 1 346.496 3.505 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000435396667 1024885240 /nfs/dbraw/zinc/88/52/40/1024885240.db2.gz XPQPYROEGSDPLV-DNVCBOLYSA-N 2 1 340.467 3.540 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000657887214 1033243404 /nfs/dbraw/zinc/24/34/04/1033243404.db2.gz FVLJLAFLUQNDIN-XKQJLSEDSA-N 2 1 339.321 3.843 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000657887214 1033243417 /nfs/dbraw/zinc/24/34/17/1033243417.db2.gz FVLJLAFLUQNDIN-XKQJLSEDSA-N 2 1 339.321 3.843 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435433564 1024903236 /nfs/dbraw/zinc/90/32/36/1024903236.db2.gz SPGFINCRTIMEPK-GOSISDBHSA-N 2 1 327.497 3.596 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431331290 1024965044 /nfs/dbraw/zinc/96/50/44/1024965044.db2.gz HSXNFNDGBFMOKS-FQEVSTJZSA-N 2 1 328.500 3.853 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000157649975 1024991336 /nfs/dbraw/zinc/99/13/36/1024991336.db2.gz LYUPHCGIPGQURO-YOEHRIQHSA-N 2 1 330.497 3.996 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000157649975 1024991346 /nfs/dbraw/zinc/99/13/46/1024991346.db2.gz LYUPHCGIPGQURO-YOEHRIQHSA-N 2 1 330.497 3.996 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000157649678 1024991921 /nfs/dbraw/zinc/99/19/21/1024991921.db2.gz LYUPHCGIPGQURO-WMLDXEAASA-N 2 1 330.497 3.996 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000157649678 1024991935 /nfs/dbraw/zinc/99/19/35/1024991935.db2.gz LYUPHCGIPGQURO-WMLDXEAASA-N 2 1 330.497 3.996 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000474478794 1025031850 /nfs/dbraw/zinc/03/18/50/1025031850.db2.gz MILSNXBQJIPVTN-QZTJIDSGSA-N 2 1 330.516 3.966 20 0 EHADMP CC(C)O[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000428204521 1025043196 /nfs/dbraw/zinc/04/31/96/1025043196.db2.gz JDDUHWQJIQBKMK-TZIWHRDSSA-N 2 1 330.516 3.816 20 0 EHADMP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414871794 1025045693 /nfs/dbraw/zinc/04/56/93/1025045693.db2.gz DZXLSPINCAFQTE-UXHICEINSA-N 2 1 327.447 3.626 20 0 EHADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000665267346 1025099224 /nfs/dbraw/zinc/09/92/24/1025099224.db2.gz VBURFPBRBCPZOD-MRVWCRGKSA-N 2 1 343.334 3.829 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000515234902 1025112692 /nfs/dbraw/zinc/11/26/92/1025112692.db2.gz ORYPZVJDUSEWSB-BDFRZKONSA-N 2 1 336.545 3.662 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000515234902 1025112699 /nfs/dbraw/zinc/11/26/99/1025112699.db2.gz ORYPZVJDUSEWSB-BDFRZKONSA-N 2 1 336.545 3.662 20 0 EHADMP C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000582053901 1025114926 /nfs/dbraw/zinc/11/49/26/1025114926.db2.gz UEGMAOGJWHQVIR-WSWWRLHASA-N 2 1 344.543 3.675 20 0 EHADMP C[C@@H]1CC(N[C@H]2CC[N@H+](C3CCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036942 1025132007 /nfs/dbraw/zinc/13/20/07/1025132007.db2.gz WGBAHVSJWIXSGN-GGPKGHCWSA-N 2 1 341.543 3.644 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000657335430 1025268693 /nfs/dbraw/zinc/26/86/93/1025268693.db2.gz QDDXXAQBLRXZKV-KRWDZBQOSA-N 2 1 329.513 3.938 20 0 EHADMP C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000346874738 1025268857 /nfs/dbraw/zinc/26/88/57/1025268857.db2.gz PSWCCVVGEIWHRM-IAGOWNOFSA-N 2 1 332.488 3.763 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453266078 1025304361 /nfs/dbraw/zinc/30/43/61/1025304361.db2.gz YNBMSTZWIPRGDB-IXDOHACOSA-N 2 1 344.421 3.769 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453266078 1025304370 /nfs/dbraw/zinc/30/43/70/1025304370.db2.gz YNBMSTZWIPRGDB-IXDOHACOSA-N 2 1 344.421 3.769 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453266080 1025304549 /nfs/dbraw/zinc/30/45/49/1025304549.db2.gz YNBMSTZWIPRGDB-ZACQAIPSSA-N 2 1 344.421 3.769 20 0 EHADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453266080 1025304561 /nfs/dbraw/zinc/30/45/61/1025304561.db2.gz YNBMSTZWIPRGDB-ZACQAIPSSA-N 2 1 344.421 3.769 20 0 EHADMP CC(C)c1[nH+]c(CNC2CC[NH+](C3CCCC3)CC2)c2ccccn21 ZINC000563252128 1025313407 /nfs/dbraw/zinc/31/34/07/1025313407.db2.gz LUHINQMSPXRHFE-UHFFFAOYSA-N 2 1 340.515 3.954 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)(CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040777 1025338561 /nfs/dbraw/zinc/33/85/61/1025338561.db2.gz PBFDFEZWPCCCGX-NPDDRXJXSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040777 1025338578 /nfs/dbraw/zinc/33/85/78/1025338578.db2.gz PBFDFEZWPCCCGX-NPDDRXJXSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040777 1025338590 /nfs/dbraw/zinc/33/85/90/1025338590.db2.gz PBFDFEZWPCCCGX-NPDDRXJXSA-N 2 1 344.543 3.913 20 0 EHADMP COc1cc(C)c([C@H](C)[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000638183071 1025376127 /nfs/dbraw/zinc/37/61/27/1025376127.db2.gz SMUQWARSDWKPCK-MHYXUVESSA-N 2 1 346.515 3.557 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H](C)c1ccc(Cl)cc1 ZINC000474731158 1025395025 /nfs/dbraw/zinc/39/50/25/1025395025.db2.gz RCDQDULZIFYTPE-GJYPPUQNSA-N 2 1 338.923 3.659 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1[NH3+] ZINC000347054533 1025450179 /nfs/dbraw/zinc/45/01/79/1025450179.db2.gz TWBWJMYZUQKMEU-FOIQADDNSA-N 2 1 328.431 3.574 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044434 1025460284 /nfs/dbraw/zinc/46/02/84/1025460284.db2.gz FJGAAKJTYUOTTG-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044434 1025460293 /nfs/dbraw/zinc/46/02/93/1025460293.db2.gz FJGAAKJTYUOTTG-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044434 1025460309 /nfs/dbraw/zinc/46/03/09/1025460309.db2.gz FJGAAKJTYUOTTG-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044434 1025460316 /nfs/dbraw/zinc/46/03/16/1025460316.db2.gz FJGAAKJTYUOTTG-PZJWPPBQSA-N 2 1 328.500 3.542 20 0 EHADMP CC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051376 1025470816 /nfs/dbraw/zinc/47/08/16/1025470816.db2.gz VBTBEUMQHDFFGS-GOTSBHOMSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051376 1025470824 /nfs/dbraw/zinc/47/08/24/1025470824.db2.gz VBTBEUMQHDFFGS-GOTSBHOMSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051376 1025470836 /nfs/dbraw/zinc/47/08/36/1025470836.db2.gz VBTBEUMQHDFFGS-GOTSBHOMSA-N 2 1 348.490 3.843 20 0 EHADMP CC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000451051376 1025470847 /nfs/dbraw/zinc/47/08/47/1025470847.db2.gz VBTBEUMQHDFFGS-GOTSBHOMSA-N 2 1 348.490 3.843 20 0 EHADMP COc1ccncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000347064804 1025478328 /nfs/dbraw/zinc/47/83/28/1025478328.db2.gz XPZRKCBBHJBGDW-QGZVFWFLSA-N 2 1 331.504 3.567 20 0 EHADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000281789981 1025506828 /nfs/dbraw/zinc/50/68/28/1025506828.db2.gz UJCFUTWOSGJBPP-UHFFFAOYSA-N 2 1 346.906 3.739 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000347113247 1025519300 /nfs/dbraw/zinc/51/93/00/1025519300.db2.gz RGHHDPCUXPZVOQ-SFHVURJKSA-N 2 1 325.456 3.614 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000347113247 1025519313 /nfs/dbraw/zinc/51/93/13/1025519313.db2.gz RGHHDPCUXPZVOQ-SFHVURJKSA-N 2 1 325.456 3.614 20 0 EHADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665299039 1025536530 /nfs/dbraw/zinc/53/65/30/1025536530.db2.gz FGUAASPWUFCWHL-VNQPRFMTSA-N 2 1 327.394 3.501 20 0 EHADMP C[C@H]1CC([N@@H+]2CC[C@@H](C)[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042004 1025537899 /nfs/dbraw/zinc/53/78/99/1025537899.db2.gz XPCDYVWUGWGFHK-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@H]1CC([N@H+]2CC[C@@H](C)[C@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042004 1025537911 /nfs/dbraw/zinc/53/79/11/1025537911.db2.gz XPCDYVWUGWGFHK-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000281823926 1025541790 /nfs/dbraw/zinc/54/17/90/1025541790.db2.gz ZUNZEJLOPDNMJF-IBGZPJMESA-N 2 1 332.463 3.818 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657364449 1025545178 /nfs/dbraw/zinc/54/51/78/1025545178.db2.gz VQPCGMUICGTJNM-MAUKXSAKSA-N 2 1 347.528 3.523 20 0 EHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442878446 1025559704 /nfs/dbraw/zinc/55/97/04/1025559704.db2.gz UBCAJYVXMKEYDU-INIZCTEOSA-N 2 1 343.515 3.672 20 0 EHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000582235414 1025623558 /nfs/dbraw/zinc/62/35/58/1025623558.db2.gz GDAPIXYMONXHGE-ZWKOTPCHSA-N 2 1 329.419 3.763 20 0 EHADMP c1ccc2c(c1)cccc2CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655688830 1025637904 /nfs/dbraw/zinc/63/79/04/1025637904.db2.gz LHDYVYTZMISGRT-OAQYLSRUSA-N 2 1 338.495 3.615 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000530321261 1025650461 /nfs/dbraw/zinc/65/04/61/1025650461.db2.gz XXZWNRVVZZKRSJ-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054883 1025692331 /nfs/dbraw/zinc/69/23/31/1025692331.db2.gz ARUUVDLVLKUDTB-KRWDZBQOSA-N 2 1 345.531 3.933 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)c2cccc(Br)c21 ZINC000530354970 1025697399 /nfs/dbraw/zinc/69/73/99/1025697399.db2.gz NCZBFYCWJBTLJK-ABAIWWIYSA-N 2 1 334.261 3.563 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000443100502 1025727637 /nfs/dbraw/zinc/72/76/37/1025727637.db2.gz ABLGYJJHUZAMEF-WBMJQRKESA-N 2 1 344.396 3.806 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307152 1025805427 /nfs/dbraw/zinc/80/54/27/1025805427.db2.gz WTJLKHLHYOMBPL-YJNKEBTESA-N 2 1 326.406 3.828 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000582307152 1025805436 /nfs/dbraw/zinc/80/54/36/1025805436.db2.gz WTJLKHLHYOMBPL-YJNKEBTESA-N 2 1 326.406 3.828 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000109788128 1025839874 /nfs/dbraw/zinc/83/98/74/1025839874.db2.gz MUDVYIIHRAHIRW-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000109788128 1025839896 /nfs/dbraw/zinc/83/98/96/1025839896.db2.gz MUDVYIIHRAHIRW-UHFFFAOYSA-N 2 1 325.294 3.755 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000475056682 1025879347 /nfs/dbraw/zinc/87/93/47/1025879347.db2.gz LORMNJPQMYKDEX-QFIPXVFZSA-N 2 1 344.543 3.772 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324500740 1025923291 /nfs/dbraw/zinc/92/32/91/1025923291.db2.gz LBZIIOKLNXGTFE-GDBMZVCRSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000324500740 1025923304 /nfs/dbraw/zinc/92/33/04/1025923304.db2.gz LBZIIOKLNXGTFE-GDBMZVCRSA-N 2 1 328.378 3.549 20 0 EHADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414888724 1025991564 /nfs/dbraw/zinc/99/15/64/1025991564.db2.gz FLSPNOUAEZMIQD-VIFPVBQESA-N 2 1 330.284 3.944 20 0 EHADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053550 1026064932 /nfs/dbraw/zinc/06/49/32/1026064932.db2.gz OZKJUMDOIYPPMP-MXNKGDRCSA-N 2 1 341.543 3.598 20 0 EHADMP CCCn1nccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657416572 1026141843 /nfs/dbraw/zinc/14/18/43/1026141843.db2.gz VIXSLANKCXYXBI-UYAOXDASSA-N 2 1 340.515 3.683 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cc2)cc1 ZINC000563350393 1026210642 /nfs/dbraw/zinc/21/06/42/1026210642.db2.gz OCFQKFLCACOZSX-NVXWUHKLSA-N 2 1 326.440 3.799 20 0 EHADMP C[C@@H]1CC(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056540 1026229096 /nfs/dbraw/zinc/22/90/96/1026229096.db2.gz FXRMGKZPLFQUQN-UKAVVXHISA-N 2 1 341.543 3.597 20 0 EHADMP COCc1csc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657428868 1026251234 /nfs/dbraw/zinc/25/12/34/1026251234.db2.gz CGMURTXXVOTOBH-LPHOPBHVSA-N 2 1 344.524 3.895 20 0 EHADMP C[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000582447385 1026280533 /nfs/dbraw/zinc/28/05/33/1026280533.db2.gz JVDNRAWWIMMZGQ-CEWLAPEOSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447385 1026280546 /nfs/dbraw/zinc/28/05/46/1026280546.db2.gz JVDNRAWWIMMZGQ-CEWLAPEOSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447385 1026280556 /nfs/dbraw/zinc/28/05/56/1026280556.db2.gz JVDNRAWWIMMZGQ-CEWLAPEOSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447385 1026280561 /nfs/dbraw/zinc/28/05/61/1026280561.db2.gz JVDNRAWWIMMZGQ-CEWLAPEOSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447385 1026280573 /nfs/dbraw/zinc/28/05/73/1026280573.db2.gz JVDNRAWWIMMZGQ-CEWLAPEOSA-N 2 1 343.559 3.607 20 0 EHADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000582449550 1026295469 /nfs/dbraw/zinc/29/54/69/1026295469.db2.gz HDZPOOVHSJQKMA-XUVXKRRUSA-N 2 1 330.516 3.549 20 0 EHADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057903 1026315086 /nfs/dbraw/zinc/31/50/86/1026315086.db2.gz OIAHJWQGQIFRED-NPDDRXJXSA-N 2 1 343.559 3.843 20 0 EHADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057903 1026315101 /nfs/dbraw/zinc/31/51/01/1026315101.db2.gz OIAHJWQGQIFRED-NPDDRXJXSA-N 2 1 343.559 3.843 20 0 EHADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057903 1026315116 /nfs/dbraw/zinc/31/51/16/1026315116.db2.gz OIAHJWQGQIFRED-NPDDRXJXSA-N 2 1 343.559 3.843 20 0 EHADMP CC[N@@H+](CCn1cccn1)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168059790 1026402479 /nfs/dbraw/zinc/40/24/79/1026402479.db2.gz HFNUIMFKWLORHL-CEQLMSFQSA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@H+](CCn1cccn1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059790 1026402482 /nfs/dbraw/zinc/40/24/82/1026402482.db2.gz HFNUIMFKWLORHL-CEQLMSFQSA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@@H+](CCn1cccn1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059790 1026402488 /nfs/dbraw/zinc/40/24/88/1026402488.db2.gz HFNUIMFKWLORHL-CEQLMSFQSA-N 2 1 340.515 3.647 20 0 EHADMP c1ccc(SC2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655711424 1026569947 /nfs/dbraw/zinc/56/99/47/1026569947.db2.gz ISQDHRWHRZGAIR-GOSISDBHSA-N 2 1 346.540 3.544 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000626062018 1026801391 /nfs/dbraw/zinc/80/13/91/1026801391.db2.gz CZKCGNVIBQWALA-GOSISDBHSA-N 2 1 347.547 3.604 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342718455 1026826603 /nfs/dbraw/zinc/82/66/03/1026826603.db2.gz YMCURVTUQIZSRI-MOPGFXCFSA-N 2 1 327.472 3.807 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000125869440 1027132464 /nfs/dbraw/zinc/13/24/64/1027132464.db2.gz GCFFINKIFWJEED-ZWKOTPCHSA-N 2 1 343.515 3.584 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000125869440 1027132476 /nfs/dbraw/zinc/13/24/76/1027132476.db2.gz GCFFINKIFWJEED-ZWKOTPCHSA-N 2 1 343.515 3.584 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cn2)c1 ZINC000531691888 1027190156 /nfs/dbraw/zinc/19/01/56/1027190156.db2.gz XKKOVRPANQTVOG-IEBWSBKVSA-N 2 1 339.483 3.921 20 0 EHADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cn2)c1 ZINC000531691888 1027190165 /nfs/dbraw/zinc/19/01/65/1027190165.db2.gz XKKOVRPANQTVOG-IEBWSBKVSA-N 2 1 339.483 3.921 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000897471122 1027222738 /nfs/dbraw/zinc/22/27/38/1027222738.db2.gz KVJHOFLDDBJPCE-WWGRRREGSA-N 2 1 325.294 3.625 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000513712773 1027224149 /nfs/dbraw/zinc/22/41/49/1027224149.db2.gz FMQLLZUMZRAMKG-ZRBLBEILSA-N 2 1 349.522 3.905 20 0 EHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430037692 1027232544 /nfs/dbraw/zinc/23/25/44/1027232544.db2.gz VQVMFQZYZUWHCP-MRXNPFEDSA-N 2 1 336.907 3.950 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430037692 1027232563 /nfs/dbraw/zinc/23/25/63/1027232563.db2.gz VQVMFQZYZUWHCP-MRXNPFEDSA-N 2 1 336.907 3.950 20 0 EHADMP CC1([NH3+])CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000647924952 1027239378 /nfs/dbraw/zinc/23/93/78/1027239378.db2.gz YCJSSMPBJBQWAR-UHFFFAOYSA-N 2 1 326.440 3.671 20 0 EHADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000273192389 1027303259 /nfs/dbraw/zinc/30/32/59/1027303259.db2.gz NSSHVLSKSYSEMS-OAHLLOKOSA-N 2 1 344.528 3.752 20 0 EHADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000273192389 1027303279 /nfs/dbraw/zinc/30/32/79/1027303279.db2.gz NSSHVLSKSYSEMS-OAHLLOKOSA-N 2 1 344.528 3.752 20 0 EHADMP Cc1ncsc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000273417889 1027419003 /nfs/dbraw/zinc/41/90/03/1027419003.db2.gz QCLLVRONWYDVJD-UHFFFAOYSA-N 2 1 330.501 3.585 20 0 EHADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453128764 1027430398 /nfs/dbraw/zinc/43/03/98/1027430398.db2.gz QWOQARSJTLHNKI-POHUPDAJSA-N 2 1 342.527 3.570 20 0 EHADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000420354800 1027486012 /nfs/dbraw/zinc/48/60/12/1027486012.db2.gz DKRINPSRPVFKLZ-CYBMUJFWSA-N 2 1 347.450 3.731 20 0 EHADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000420376640 1027514150 /nfs/dbraw/zinc/51/41/50/1027514150.db2.gz QXGZZHZDEUPDPT-INIZCTEOSA-N 2 1 326.406 3.884 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1Cl ZINC000657594835 1027567399 /nfs/dbraw/zinc/56/73/99/1027567399.db2.gz DAZJDZLHBLMSPE-LJQANCHMSA-N 2 1 344.886 3.505 20 0 EHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342856294 1027678798 /nfs/dbraw/zinc/67/87/98/1027678798.db2.gz DRQGAMMVLNBZJS-GHTZIAJQSA-N 2 1 340.515 3.739 20 0 EHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342856294 1027678808 /nfs/dbraw/zinc/67/88/08/1027678808.db2.gz DRQGAMMVLNBZJS-GHTZIAJQSA-N 2 1 340.515 3.739 20 0 EHADMP C[N@@H+](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1CC[NH2+]CC1 ZINC000414660585 1027741246 /nfs/dbraw/zinc/74/12/46/1027741246.db2.gz VHPLHVHAVFPSCP-UHFFFAOYSA-N 2 1 332.394 3.941 20 0 EHADMP CC(C)[N@H+](Cc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901296 1027840055 /nfs/dbraw/zinc/84/00/55/1027840055.db2.gz JSJKQVBYSHFKIK-UHFFFAOYSA-N 2 1 344.524 3.991 20 0 EHADMP CC(C)[N@@H+](Cc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901296 1027840076 /nfs/dbraw/zinc/84/00/76/1027840076.db2.gz JSJKQVBYSHFKIK-UHFFFAOYSA-N 2 1 344.524 3.991 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000414687005 1027870864 /nfs/dbraw/zinc/87/08/64/1027870864.db2.gz GXRWAFLJHPPCNU-CKEIUWERSA-N 2 1 337.305 3.974 20 0 EHADMP Cc1c([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000339067685 1027896956 /nfs/dbraw/zinc/89/69/56/1027896956.db2.gz KMNHADSFWCNRHN-FNHZYXHNSA-N 2 1 342.462 3.597 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000339067685 1027896974 /nfs/dbraw/zinc/89/69/74/1027896974.db2.gz KMNHADSFWCNRHN-FNHZYXHNSA-N 2 1 342.462 3.597 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000339067685 1027896993 /nfs/dbraw/zinc/89/69/93/1027896993.db2.gz KMNHADSFWCNRHN-FNHZYXHNSA-N 2 1 342.462 3.597 20 0 EHADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422743400 1027911702 /nfs/dbraw/zinc/91/17/02/1027911702.db2.gz INJRMBWXIYJGDO-BRKWEVRTSA-N 2 1 341.543 3.722 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422743400 1027911721 /nfs/dbraw/zinc/91/17/21/1027911721.db2.gz INJRMBWXIYJGDO-BRKWEVRTSA-N 3 1 341.543 3.722 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000503593255 1027933077 /nfs/dbraw/zinc/93/30/77/1027933077.db2.gz VWPKJXXMZALKTP-OYNPSCLESA-N 2 1 330.516 3.692 20 0 EHADMP COc1ccc(CC[N@@H+](CC(C)C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414691280 1027938830 /nfs/dbraw/zinc/93/88/30/1027938830.db2.gz BEFPRIUOGISEJU-PKOBYXMFSA-N 2 1 348.531 3.592 20 0 EHADMP CC[C@@H]([NH2+]CCc1ccc(-c2csc(C)n2)s1)[C@@H]1CCC[NH2+]1 ZINC000422798561 1027950072 /nfs/dbraw/zinc/95/00/72/1027950072.db2.gz RTFFKPICGZKFIH-CABCVRRESA-N 2 1 335.542 3.843 20 0 EHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000502255783 1028032510 /nfs/dbraw/zinc/03/25/10/1028032510.db2.gz NTCYFPVZKCYAPA-NQIIRXRSSA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255783 1028032529 /nfs/dbraw/zinc/03/25/29/1028032529.db2.gz NTCYFPVZKCYAPA-NQIIRXRSSA-N 2 1 328.500 3.706 20 0 EHADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000502255783 1028032545 /nfs/dbraw/zinc/03/25/45/1028032545.db2.gz NTCYFPVZKCYAPA-NQIIRXRSSA-N 2 1 328.500 3.706 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000422907690 1028039923 /nfs/dbraw/zinc/03/99/23/1028039923.db2.gz CAMJHRRJOBBFND-MRXNPFEDSA-N 3 1 340.515 3.540 20 0 EHADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000533537360 1028047228 /nfs/dbraw/zinc/04/72/28/1028047228.db2.gz JQQKWZSCTSQKMY-KRWDZBQOSA-N 2 1 349.950 3.891 20 0 EHADMP Cc1sc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000422927962 1028058067 /nfs/dbraw/zinc/05/80/67/1028058067.db2.gz HYDBJOVRDQCMIN-WMLDXEAASA-N 2 1 329.513 3.781 20 0 EHADMP COc1cccc(C[N@H+](CCC[NH+]2CCCCC2)C[C@H]2CCCO2)c1 ZINC000444588005 1028064539 /nfs/dbraw/zinc/06/45/39/1028064539.db2.gz CGCDXFGVBMQKSW-OAQYLSRUSA-N 2 1 346.515 3.552 20 0 EHADMP COc1cccc(C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]2CCCO2)c1 ZINC000444588005 1028064560 /nfs/dbraw/zinc/06/45/60/1028064560.db2.gz CGCDXFGVBMQKSW-OAQYLSRUSA-N 2 1 346.515 3.552 20 0 EHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000422997170 1028114343 /nfs/dbraw/zinc/11/43/43/1028114343.db2.gz ASOIVCLNNLJJFR-VQTJNVASSA-N 2 1 337.467 3.689 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423026122 1028136860 /nfs/dbraw/zinc/13/68/60/1028136860.db2.gz ANMLKWCRGHWTJK-RBBKRZOGSA-N 2 1 346.478 3.764 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134878823 1028154541 /nfs/dbraw/zinc/15/45/41/1028154541.db2.gz BGWMSBULASUIIG-OXQOHEQNSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134878823 1028154545 /nfs/dbraw/zinc/15/45/45/1028154545.db2.gz BGWMSBULASUIIG-OXQOHEQNSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134878823 1028154547 /nfs/dbraw/zinc/15/45/47/1028154547.db2.gz BGWMSBULASUIIG-OXQOHEQNSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134878823 1028154550 /nfs/dbraw/zinc/15/45/50/1028154550.db2.gz BGWMSBULASUIIG-OXQOHEQNSA-N 2 1 339.458 3.823 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423067606 1028158562 /nfs/dbraw/zinc/15/85/62/1028158562.db2.gz ZYPZKALCNKSMHX-OWCLPIDISA-N 2 1 346.906 3.627 20 0 EHADMP C[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414717991 1028193998 /nfs/dbraw/zinc/19/39/98/1028193998.db2.gz QMJHBNSSSLDKEA-UGKGYDQZSA-N 2 1 337.511 3.905 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(C)c1OC(F)F ZINC000513746546 1028221340 /nfs/dbraw/zinc/22/13/40/1028221340.db2.gz ZBPMOSABYKLLLI-UHFFFAOYSA-N 2 1 326.431 3.678 20 0 EHADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423197872 1028268271 /nfs/dbraw/zinc/26/82/71/1028268271.db2.gz BRCSXOBTNSCSIS-SECBINFHSA-N 2 1 339.199 3.728 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423198969 1028267102 /nfs/dbraw/zinc/26/71/02/1028267102.db2.gz IWHOZUCZDLUIKO-INIZCTEOSA-N 2 1 346.519 3.919 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423200065 1028269586 /nfs/dbraw/zinc/26/95/86/1028269586.db2.gz LPBKFGROMYQGHR-ICSRJNTNSA-N 2 1 329.532 3.538 20 0 EHADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423290852 1028327778 /nfs/dbraw/zinc/32/77/78/1028327778.db2.gz FRPANFICOXEIEI-XUVXKRRUSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272590 1028334485 /nfs/dbraw/zinc/33/44/85/1028334485.db2.gz JWFRVDMFXGTHKD-GJZGRUSLSA-N 2 1 333.476 3.900 20 0 EHADMP CSC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423388799 1028401882 /nfs/dbraw/zinc/40/18/82/1028401882.db2.gz IXXWPWGITAIOGM-CQDKDKBSSA-N 2 1 332.435 3.697 20 0 EHADMP CSC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423388802 1028402670 /nfs/dbraw/zinc/40/26/70/1028402670.db2.gz IXXWPWGITAIOGM-UGFHNGPFSA-N 2 1 332.435 3.697 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000423506728 1028472969 /nfs/dbraw/zinc/47/29/69/1028472969.db2.gz IQIZXUMNTYLRIE-ODMAOCJESA-N 2 1 341.543 3.677 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](CN)C1CCCC1 ZINC000423533948 1028483844 /nfs/dbraw/zinc/48/38/44/1028483844.db2.gz UVNITFPSPFFHGH-BLLLJJGKSA-N 2 1 330.501 3.682 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423533948 1028483856 /nfs/dbraw/zinc/48/38/56/1028483856.db2.gz UVNITFPSPFFHGH-BLLLJJGKSA-N 2 1 330.501 3.682 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2F)s1 ZINC000423530694 1028484198 /nfs/dbraw/zinc/48/41/98/1028484198.db2.gz YWYJERGJTHMFCB-KBPBESRZSA-N 2 1 334.460 3.583 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cnn1C(C)(C)C ZINC000423523935 1028498356 /nfs/dbraw/zinc/49/83/56/1028498356.db2.gz IZSVCFRZAGORCL-QKRUQSFRSA-N 2 1 344.547 3.751 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1F ZINC000194865141 1028553255 /nfs/dbraw/zinc/55/32/55/1028553255.db2.gz FQYHTHHSWQZMQJ-CYBMUJFWSA-N 2 1 325.387 3.876 20 0 EHADMP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)sc1Br ZINC000508519714 1028566318 /nfs/dbraw/zinc/56/63/18/1028566318.db2.gz WFRDRMBDDWUNDQ-LBPRGKRZSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)sc1Br ZINC000508519714 1028566335 /nfs/dbraw/zinc/56/63/35/1028566335.db2.gz WFRDRMBDDWUNDQ-LBPRGKRZSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000508519714 1028566348 /nfs/dbraw/zinc/56/63/48/1028566348.db2.gz WFRDRMBDDWUNDQ-LBPRGKRZSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)sc1Br ZINC000508519714 1028566370 /nfs/dbraw/zinc/56/63/70/1028566370.db2.gz WFRDRMBDDWUNDQ-LBPRGKRZSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139539 1028583403 /nfs/dbraw/zinc/58/34/03/1028583403.db2.gz ZLRFXZZTUYXIRD-QZTJIDSGSA-N 2 1 341.524 3.941 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414757936 1028584708 /nfs/dbraw/zinc/58/47/08/1028584708.db2.gz MCJRCUOGQRICGR-MCIONIFRSA-N 2 1 325.294 3.830 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000237527199 1028653624 /nfs/dbraw/zinc/65/36/24/1028653624.db2.gz ZNSSZVGDKMOMQW-OXJNMPFZSA-N 2 1 329.488 3.532 20 0 EHADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523853132 1028662980 /nfs/dbraw/zinc/66/29/80/1028662980.db2.gz FLIPGHZYAGPEBC-AEFFLSMTSA-N 2 1 333.520 3.586 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773639 1028792182 /nfs/dbraw/zinc/79/21/82/1028792182.db2.gz DQKCZOAIGJYXIP-QWHCGFSZSA-N 2 1 343.334 3.641 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000445436229 1028792514 /nfs/dbraw/zinc/79/25/14/1028792514.db2.gz PDOVBWYPQIHPPV-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000445436229 1028792531 /nfs/dbraw/zinc/79/25/31/1028792531.db2.gz PDOVBWYPQIHPPV-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436229 1028792543 /nfs/dbraw/zinc/79/25/43/1028792543.db2.gz PDOVBWYPQIHPPV-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000445436229 1028792551 /nfs/dbraw/zinc/79/25/51/1028792551.db2.gz PDOVBWYPQIHPPV-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP CC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000247978363 1028836613 /nfs/dbraw/zinc/83/66/13/1028836613.db2.gz IBISLHNQNSASJI-LVUFRCMMSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000247978363 1028836629 /nfs/dbraw/zinc/83/66/29/1028836629.db2.gz IBISLHNQNSASJI-LVUFRCMMSA-N 3 1 341.543 3.502 20 0 EHADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000247978363 1028836643 /nfs/dbraw/zinc/83/66/43/1028836643.db2.gz IBISLHNQNSASJI-LVUFRCMMSA-N 2 1 341.543 3.502 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000248159946 1028853993 /nfs/dbraw/zinc/85/39/93/1028853993.db2.gz RZKVCEOCFSGHTK-HDMKZQKVSA-N 2 1 332.517 3.698 20 0 EHADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000248159946 1028854012 /nfs/dbraw/zinc/85/40/12/1028854012.db2.gz RZKVCEOCFSGHTK-HDMKZQKVSA-N 2 1 332.517 3.698 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000421863349 1028856502 /nfs/dbraw/zinc/85/65/02/1028856502.db2.gz WKLMSEDJYMLSNM-JRSUCEMESA-N 2 1 328.500 3.729 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776779 1028860084 /nfs/dbraw/zinc/86/00/84/1028860084.db2.gz HSHDWAKVPUHSGX-HOTGVXAUSA-N 2 1 329.875 3.710 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777359 1028862854 /nfs/dbraw/zinc/86/28/54/1028862854.db2.gz IDCZAKKYXFVEQS-RBUKOAKNSA-N 2 1 339.458 3.709 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123329208 1028885579 /nfs/dbraw/zinc/88/55/79/1028885579.db2.gz YIEQXGFQVLSSHE-FUHWJXTLSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123329208 1028885599 /nfs/dbraw/zinc/88/55/99/1028885599.db2.gz YIEQXGFQVLSSHE-FUHWJXTLSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123329208 1028885617 /nfs/dbraw/zinc/88/56/17/1028885617.db2.gz YIEQXGFQVLSSHE-FUHWJXTLSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123329208 1028885635 /nfs/dbraw/zinc/88/56/35/1028885635.db2.gz YIEQXGFQVLSSHE-FUHWJXTLSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000248545374 1028889636 /nfs/dbraw/zinc/88/96/36/1028889636.db2.gz DIFQQFUVHJOKEI-GIVPXCGWSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000248545374 1028889651 /nfs/dbraw/zinc/88/96/51/1028889651.db2.gz DIFQQFUVHJOKEI-GIVPXCGWSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCO[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000248545374 1028889659 /nfs/dbraw/zinc/88/96/59/1028889659.db2.gz DIFQQFUVHJOKEI-GIVPXCGWSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCO[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000248545374 1028889669 /nfs/dbraw/zinc/88/96/69/1028889669.db2.gz DIFQQFUVHJOKEI-GIVPXCGWSA-N 2 1 346.515 3.515 20 0 EHADMP c1csc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424269409 1028926185 /nfs/dbraw/zinc/92/61/85/1028926185.db2.gz PGKQCNPQSCRGND-SJLPKXTDSA-N 2 1 327.497 3.501 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299803 1028942901 /nfs/dbraw/zinc/94/29/01/1028942901.db2.gz VWMXATGWPJAGFB-ZDUSSCGKSA-N 2 1 331.485 3.676 20 0 EHADMP c1sc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781037 1028944854 /nfs/dbraw/zinc/94/48/54/1028944854.db2.gz MJQKNWWUKGIDSH-IAGOWNOFSA-N 2 1 327.497 3.632 20 0 EHADMP CS[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000445610764 1028988308 /nfs/dbraw/zinc/98/83/08/1028988308.db2.gz RXLWNBZHXPYXGF-ROUUACIJSA-N 2 1 347.915 3.904 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(NC(=O)c2ccccc2)c1 ZINC000424340851 1029019722 /nfs/dbraw/zinc/01/97/22/1029019722.db2.gz YZRZLMBMKWWTTD-CWFSZBLJSA-N 2 1 337.467 3.859 20 0 EHADMP CCCOc1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1OCC ZINC000414785545 1029032786 /nfs/dbraw/zinc/03/27/86/1029032786.db2.gz STERKIHXKHLURC-ZWKOTPCHSA-N 2 1 346.515 3.696 20 0 EHADMP CCCOc1c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cccc1OCC ZINC000424374634 1029034164 /nfs/dbraw/zinc/03/41/64/1029034164.db2.gz IMSFGZFSGRGBEJ-KRWDZBQOSA-N 2 1 346.515 3.838 20 0 EHADMP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789261 1029078591 /nfs/dbraw/zinc/07/85/91/1029078591.db2.gz YGINFCOEFAVIBG-DLBZAZTESA-N 2 1 347.934 3.762 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414791302 1029087824 /nfs/dbraw/zinc/08/78/24/1029087824.db2.gz HOFXMUINNGLIFP-GFCCVEGCSA-N 2 1 339.199 3.541 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000509976487 1029107577 /nfs/dbraw/zinc/10/75/77/1029107577.db2.gz LPSRDELKDBEGQJ-SFHVURJKSA-N 2 1 338.495 3.886 20 0 EHADMP Cn1cnc2cc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)ccc21 ZINC000271737579 1029145851 /nfs/dbraw/zinc/14/58/51/1029145851.db2.gz PLTSGMNJVHRGOI-HXUWFJFHSA-N 2 1 348.494 3.527 20 0 EHADMP Cn1cnc2cc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000271737579 1029145861 /nfs/dbraw/zinc/14/58/61/1029145861.db2.gz PLTSGMNJVHRGOI-HXUWFJFHSA-N 2 1 348.494 3.527 20 0 EHADMP Cn1cnc2cc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000271737579 1029145869 /nfs/dbraw/zinc/14/58/69/1029145869.db2.gz PLTSGMNJVHRGOI-HXUWFJFHSA-N 2 1 348.494 3.527 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000271767953 1029162474 /nfs/dbraw/zinc/16/24/74/1029162474.db2.gz HXLQKMRBAOCYIB-AWEZNQCLSA-N 2 1 331.435 3.860 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1O ZINC000414799459 1029172407 /nfs/dbraw/zinc/17/24/07/1029172407.db2.gz DRTROFKJAYJTET-INIZCTEOSA-N 2 1 334.504 3.624 20 0 EHADMP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000154539879 1029218725 /nfs/dbraw/zinc/21/87/25/1029218725.db2.gz SUPVILKXNHTLHQ-QGZVFWFLSA-N 2 1 328.460 3.511 20 0 EHADMP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000271936120 1029236809 /nfs/dbraw/zinc/23/68/09/1029236809.db2.gz AKOYDZAGEUIDGI-RTWAWAEBSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272157944 1029338387 /nfs/dbraw/zinc/33/83/87/1029338387.db2.gz FLHMKILSTKYUNG-OXJNMPFZSA-N 2 1 334.467 3.563 20 0 EHADMP CC(C)[N@H+]1CCc2nc(CNc3ccc([C@H](C)[NH3+])cc3)sc2C1 ZINC000414815148 1029342498 /nfs/dbraw/zinc/34/24/98/1029342498.db2.gz SNBDFUFQMUMUIC-ZDUSSCGKSA-N 2 1 330.501 3.541 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162721952 1029349163 /nfs/dbraw/zinc/34/91/63/1029349163.db2.gz VEDZGADXJJWCGB-CLCXKQKWSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162721952 1029349165 /nfs/dbraw/zinc/34/91/65/1029349165.db2.gz VEDZGADXJJWCGB-CLCXKQKWSA-N 2 1 343.446 3.831 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348521640 1029369983 /nfs/dbraw/zinc/36/99/83/1029369983.db2.gz RGAMRYYIIWFQOL-UXHICEINSA-N 2 1 327.472 3.699 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000897536409 1029421586 /nfs/dbraw/zinc/42/15/86/1029421586.db2.gz LBBMUDPMSAFCKT-VMXMFDLUSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000897536409 1029421604 /nfs/dbraw/zinc/42/16/04/1029421604.db2.gz LBBMUDPMSAFCKT-VMXMFDLUSA-N 2 1 330.516 3.570 20 0 EHADMP [NH3+][C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000414827071 1029444091 /nfs/dbraw/zinc/44/40/91/1029444091.db2.gz GLWFOYXMHWNOAM-HXUWFJFHSA-N 2 1 343.902 3.594 20 0 EHADMP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396190 1029445950 /nfs/dbraw/zinc/44/59/50/1029445950.db2.gz YUNFDBKUTPTZPI-QUCCMNQESA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272396190 1029445958 /nfs/dbraw/zinc/44/59/58/1029445958.db2.gz YUNFDBKUTPTZPI-QUCCMNQESA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396190 1029445967 /nfs/dbraw/zinc/44/59/67/1029445967.db2.gz YUNFDBKUTPTZPI-QUCCMNQESA-N 3 1 343.559 3.750 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481379 1029476124 /nfs/dbraw/zinc/47/61/24/1029476124.db2.gz MFDSYRJABNTQES-STZQEDGTSA-N 2 1 338.495 3.529 20 0 EHADMP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261699454 1029484461 /nfs/dbraw/zinc/48/44/61/1029484461.db2.gz CIEFCUIFWKNHMI-MRXNPFEDSA-N 2 1 325.294 3.659 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663498 1029555841 /nfs/dbraw/zinc/55/58/41/1029555841.db2.gz ILTXTJAVTSJBOU-NPPFBWRTSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663498 1029555847 /nfs/dbraw/zinc/55/58/47/1029555847.db2.gz ILTXTJAVTSJBOU-NPPFBWRTSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C[C@H](C)O1 ZINC000237632341 1029688056 /nfs/dbraw/zinc/68/80/56/1029688056.db2.gz COHGHFOFTSSGTR-CEXWTWQISA-N 2 1 328.500 3.742 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347399442 1029727150 /nfs/dbraw/zinc/72/71/50/1029727150.db2.gz KIBYBBBMHSNXSZ-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP COCCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000282071641 1029728277 /nfs/dbraw/zinc/72/82/77/1029728277.db2.gz WWBWVUARYLWURY-BEFAXECRSA-N 2 1 333.451 3.724 20 0 EHADMP CC(C)[NH+](CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508711413 1029784517 /nfs/dbraw/zinc/78/45/17/1029784517.db2.gz ASXUADNAIMNNJM-FPOVZHCZSA-N 2 1 331.548 3.605 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1(C)C ZINC000623379363 1029840952 /nfs/dbraw/zinc/84/09/52/1029840952.db2.gz LWXJBXHVSAGNHC-NVXWUHKLSA-N 2 1 335.923 3.629 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@H]3CCC[C@H]32)cc1 ZINC000453222511 1029937043 /nfs/dbraw/zinc/93/70/43/1029937043.db2.gz QLTHHANXYCKVOF-ZGXWSNOMSA-N 2 1 330.541 3.772 20 0 EHADMP COc1ccc(C)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628024 1029978920 /nfs/dbraw/zinc/97/89/20/1029978920.db2.gz AKJJTPNESKEQHR-FQEVSTJZSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628024 1029978930 /nfs/dbraw/zinc/97/89/30/1029978930.db2.gz AKJJTPNESKEQHR-FQEVSTJZSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628024 1029978941 /nfs/dbraw/zinc/97/89/41/1029978941.db2.gz AKJJTPNESKEQHR-FQEVSTJZSA-N 2 1 338.495 3.958 20 0 EHADMP COc1ccc(C)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628024 1029978959 /nfs/dbraw/zinc/97/89/59/1029978959.db2.gz AKJJTPNESKEQHR-FQEVSTJZSA-N 2 1 338.495 3.958 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc4ccccc34)C2)C1 ZINC000650705573 1029979589 /nfs/dbraw/zinc/97/95/89/1029979589.db2.gz LTQUDHGQGYAWRJ-KYJSFNMBSA-N 2 1 330.497 3.620 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000453254741 1029986394 /nfs/dbraw/zinc/98/63/94/1029986394.db2.gz RIAATAIHKKWWSR-DWLFOUALSA-N 2 1 344.543 3.833 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000453264560 1029997264 /nfs/dbraw/zinc/99/72/64/1029997264.db2.gz AEXKXJMWFXBCGH-HNBVOPMISA-N 2 1 346.515 3.625 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000453264560 1029997281 /nfs/dbraw/zinc/99/72/81/1029997281.db2.gz AEXKXJMWFXBCGH-HNBVOPMISA-N 2 1 346.515 3.625 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000226420123 1030107975 /nfs/dbraw/zinc/10/79/75/1030107975.db2.gz NBLYHRWFYLJAEP-SNVBAGLBSA-N 2 1 331.685 3.662 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000525795463 1030124392 /nfs/dbraw/zinc/12/43/92/1030124392.db2.gz OQZOBPJMHXETGB-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000525795463 1030124402 /nfs/dbraw/zinc/12/44/02/1030124402.db2.gz OQZOBPJMHXETGB-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928141 1030128139 /nfs/dbraw/zinc/12/81/39/1030128139.db2.gz QXJXDYPRQNTUQI-GJZGRUSLSA-N 2 1 328.422 3.958 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163222184 1030171580 /nfs/dbraw/zinc/17/15/80/1030171580.db2.gz WXTFCPJVHHBLPL-UXPWSPDFSA-N 2 1 326.488 3.514 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000163222184 1030171594 /nfs/dbraw/zinc/17/15/94/1030171594.db2.gz WXTFCPJVHHBLPL-UXPWSPDFSA-N 2 1 326.488 3.514 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)c(F)c1 ZINC000453374280 1030196224 /nfs/dbraw/zinc/19/62/24/1030196224.db2.gz XFJCHCXMAPZTEI-HLVVYCRESA-N 2 1 341.268 3.864 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964165 1030202065 /nfs/dbraw/zinc/20/20/65/1030202065.db2.gz RVDWYTOKWJNPOP-MAODMQOUSA-N 2 1 348.506 3.930 20 0 EHADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCC[NH+]1C ZINC000121235533 1030218134 /nfs/dbraw/zinc/21/81/34/1030218134.db2.gz SGXBVWJRNDHFNP-LJQANCHMSA-N 2 1 344.478 3.565 20 0 EHADMP C[NH+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCC[N@@H+]1C ZINC000121235533 1030218149 /nfs/dbraw/zinc/21/81/49/1030218149.db2.gz SGXBVWJRNDHFNP-LJQANCHMSA-N 2 1 344.478 3.565 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453407717 1030218964 /nfs/dbraw/zinc/21/89/64/1030218964.db2.gz SGXBEWVEVRXCOU-LJQANCHMSA-N 3 1 343.559 3.546 20 0 EHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453407717 1030218978 /nfs/dbraw/zinc/21/89/78/1030218978.db2.gz SGXBEWVEVRXCOU-LJQANCHMSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453407717 1030218997 /nfs/dbraw/zinc/21/89/97/1030218997.db2.gz SGXBEWVEVRXCOU-LJQANCHMSA-N 2 1 343.559 3.546 20 0 EHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000482153716 1030232142 /nfs/dbraw/zinc/23/21/42/1030232142.db2.gz DRJHXQZKKGSNMZ-PWRODBHTSA-N 2 1 335.580 3.717 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043113 1030364617 /nfs/dbraw/zinc/36/46/17/1030364617.db2.gz INMDQZDCBDBSJL-FPOVZHCZSA-N 2 1 339.458 3.804 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043113 1030364637 /nfs/dbraw/zinc/36/46/37/1030364637.db2.gz INMDQZDCBDBSJL-FPOVZHCZSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043113 1030364657 /nfs/dbraw/zinc/36/46/57/1030364657.db2.gz INMDQZDCBDBSJL-FPOVZHCZSA-N 2 1 339.458 3.804 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000092043113 1030364674 /nfs/dbraw/zinc/36/46/74/1030364674.db2.gz INMDQZDCBDBSJL-FPOVZHCZSA-N 2 1 339.458 3.804 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000151100568 1030434677 /nfs/dbraw/zinc/43/46/77/1030434677.db2.gz IDVWYALFNKBTTO-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000092587956 1030487289 /nfs/dbraw/zinc/48/72/89/1030487289.db2.gz RVQHLXJKDARAMH-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000092587956 1030487295 /nfs/dbraw/zinc/48/72/95/1030487295.db2.gz RVQHLXJKDARAMH-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000092587956 1030487299 /nfs/dbraw/zinc/48/72/99/1030487299.db2.gz RVQHLXJKDARAMH-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000092587956 1030487305 /nfs/dbraw/zinc/48/73/05/1030487305.db2.gz RVQHLXJKDARAMH-FXAWDEMLSA-N 2 1 343.515 3.731 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000470008766 1030487718 /nfs/dbraw/zinc/48/77/18/1030487718.db2.gz KJHZUCBPZQPNRX-UHFFFAOYSA-N 2 1 331.287 3.824 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000092587945 1030489332 /nfs/dbraw/zinc/48/93/32/1030489332.db2.gz YJENXEMCIFLCOK-IAGOWNOFSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000092587945 1030489334 /nfs/dbraw/zinc/48/93/34/1030489334.db2.gz YJENXEMCIFLCOK-IAGOWNOFSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000092587945 1030489337 /nfs/dbraw/zinc/48/93/37/1030489337.db2.gz YJENXEMCIFLCOK-IAGOWNOFSA-N 2 1 326.488 3.649 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)C[C@H]1c1ccccc1 ZINC000568003634 1030521610 /nfs/dbraw/zinc/52/16/10/1030521610.db2.gz PAIIWHPWUHGDMA-PMACEKPBSA-N 2 1 330.516 3.744 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)C[C@H]1c1ccccc1 ZINC000568003634 1030521626 /nfs/dbraw/zinc/52/16/26/1030521626.db2.gz PAIIWHPWUHGDMA-PMACEKPBSA-N 2 1 330.516 3.744 20 0 EHADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526989520 1030549868 /nfs/dbraw/zinc/54/98/68/1030549868.db2.gz NLNONIUSQNJFAP-INIZCTEOSA-N 2 1 327.497 3.632 20 0 EHADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526989520 1030549881 /nfs/dbraw/zinc/54/98/81/1030549881.db2.gz NLNONIUSQNJFAP-INIZCTEOSA-N 2 1 327.497 3.632 20 0 EHADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563793 1030627449 /nfs/dbraw/zinc/62/74/49/1030627449.db2.gz PZISEXGHMKGOBH-INIZCTEOSA-N 2 1 330.501 3.589 20 0 EHADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563793 1030627460 /nfs/dbraw/zinc/62/74/60/1030627460.db2.gz PZISEXGHMKGOBH-INIZCTEOSA-N 2 1 330.501 3.589 20 0 EHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448020455 1030649928 /nfs/dbraw/zinc/64/99/28/1030649928.db2.gz CCAHIUKVLHHTTD-GUDVDZBRSA-N 2 1 332.536 3.546 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448020455 1030649934 /nfs/dbraw/zinc/64/99/34/1030649934.db2.gz CCAHIUKVLHHTTD-GUDVDZBRSA-N 2 1 332.536 3.546 20 0 EHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448020454 1030650409 /nfs/dbraw/zinc/65/04/09/1030650409.db2.gz CCAHIUKVLHHTTD-GBESFXJTSA-N 2 1 332.536 3.546 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448020454 1030650413 /nfs/dbraw/zinc/65/04/13/1030650413.db2.gz CCAHIUKVLHHTTD-GBESFXJTSA-N 2 1 332.536 3.546 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000151137619 1030690716 /nfs/dbraw/zinc/69/07/16/1030690716.db2.gz UYTMPRGKKUMLMC-QWHCGFSZSA-N 2 1 330.394 3.810 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000151137619 1030690725 /nfs/dbraw/zinc/69/07/25/1030690725.db2.gz UYTMPRGKKUMLMC-QWHCGFSZSA-N 2 1 330.394 3.810 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000527227371 1030743269 /nfs/dbraw/zinc/74/32/69/1030743269.db2.gz SHJJYZRLEJQEIQ-INIZCTEOSA-N 2 1 328.422 3.960 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000482874342 1030773980 /nfs/dbraw/zinc/77/39/80/1030773980.db2.gz OFMNJLDXJZVCIF-NSISKUIASA-N 2 1 349.950 3.624 20 0 EHADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000482884838 1030780631 /nfs/dbraw/zinc/78/06/31/1030780631.db2.gz FYMKFYHQMKTPHZ-RXVVDRJESA-N 2 1 332.532 3.773 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000650757834 1030800818 /nfs/dbraw/zinc/80/08/18/1030800818.db2.gz BVATYLAUPJZAJR-MRXNPFEDSA-N 3 1 334.467 3.751 20 0 EHADMP FC(F)(F)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168353375 1030805470 /nfs/dbraw/zinc/80/54/70/1030805470.db2.gz NGTGCPBJLHRRSS-UHFFFAOYSA-N 2 1 328.378 3.549 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000122970989 1030821133 /nfs/dbraw/zinc/82/11/33/1030821133.db2.gz FSVJSJVUXSAZCC-OAQYLSRUSA-N 2 1 329.532 3.505 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000122970989 1030821154 /nfs/dbraw/zinc/82/11/54/1030821154.db2.gz FSVJSJVUXSAZCC-OAQYLSRUSA-N 2 1 329.532 3.505 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)CC1 ZINC000668169396 1030838742 /nfs/dbraw/zinc/83/87/42/1030838742.db2.gz QCZQCIXWVNMBQR-CQSZACIVSA-N 2 1 342.405 3.591 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccnc4ccccc34)C2)cc1 ZINC000394143554 1030913512 /nfs/dbraw/zinc/91/35/12/1030913512.db2.gz XZWFYHABUXARPI-IBGZPJMESA-N 2 1 331.463 3.847 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000551088736 1031033773 /nfs/dbraw/zinc/03/37/73/1031033773.db2.gz FZKNVYAPVVBZHK-KKCDMYQCSA-N 2 1 341.543 3.580 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000551088736 1031033789 /nfs/dbraw/zinc/03/37/89/1031033789.db2.gz FZKNVYAPVVBZHK-KKCDMYQCSA-N 2 1 341.543 3.580 20 0 EHADMP c1ccc([C@H]2CC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000131472140 1031062405 /nfs/dbraw/zinc/06/24/05/1031062405.db2.gz BYIOPHDLDXGBBA-SFTDATJTSA-N 2 1 342.527 3.947 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC ZINC000666968811 1031094181 /nfs/dbraw/zinc/09/41/81/1031094181.db2.gz JKGRTEUWZUZRDU-QXAKKESOSA-N 2 1 346.515 3.837 20 0 EHADMP OC1CC[NH+](Cc2ccc(CNc3[nH+]ccc4ccccc43)cc2)CC1 ZINC000527889287 1031380647 /nfs/dbraw/zinc/38/06/47/1031380647.db2.gz XOUTZWJJRKEFTC-UHFFFAOYSA-N 2 1 347.462 3.804 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491733 1031381799 /nfs/dbraw/zinc/38/17/99/1031381799.db2.gz MDSKFQJEBOEWLE-XLIONFOSSA-N 2 1 337.467 3.790 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491733 1031381808 /nfs/dbraw/zinc/38/18/08/1031381808.db2.gz MDSKFQJEBOEWLE-XLIONFOSSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491733 1031381818 /nfs/dbraw/zinc/38/18/18/1031381818.db2.gz MDSKFQJEBOEWLE-XLIONFOSSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000158491733 1031381832 /nfs/dbraw/zinc/38/18/32/1031381832.db2.gz MDSKFQJEBOEWLE-XLIONFOSSA-N 2 1 337.467 3.790 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000527932502 1031495512 /nfs/dbraw/zinc/49/55/12/1031495512.db2.gz MVNJHFKFANTBLW-CFSAACEMSA-N 2 1 337.305 3.782 20 0 EHADMP COCCC1CC[NH+]([C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527936372 1031503475 /nfs/dbraw/zinc/50/34/75/1031503475.db2.gz RCJLRIBQEVQZBI-WIYYLYMNSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4cn(C)nc4c3)CC2)C1 ZINC000527961142 1031527303 /nfs/dbraw/zinc/52/73/03/1031527303.db2.gz HCIPVBOBMJPPTP-OXJNMPFZSA-N 2 1 340.515 3.706 20 0 EHADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000527992491 1031551189 /nfs/dbraw/zinc/55/11/89/1031551189.db2.gz DDYQPEPRADGUMD-ILZDJORESA-N 2 1 329.463 3.620 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)C1 ZINC000528015438 1031632408 /nfs/dbraw/zinc/63/24/08/1031632408.db2.gz XKQNGDIZNBJKSX-UIFIKXQLSA-N 2 1 333.564 3.636 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484648648 1031839627 /nfs/dbraw/zinc/83/96/27/1031839627.db2.gz LDBISCZUUVTYJZ-VQTJNVASSA-N 2 1 327.472 3.870 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484648649 1031841038 /nfs/dbraw/zinc/84/10/38/1031841038.db2.gz LDBISCZUUVTYJZ-WOJBJXKFSA-N 2 1 327.472 3.870 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccn3)CC2)cs1 ZINC000159103645 1031874261 /nfs/dbraw/zinc/87/42/61/1031874261.db2.gz QRVBGHKVMJVOTH-OAHLLOKOSA-N 2 1 344.528 3.663 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2cn3ccsc3n2)CC1)CC1CC1 ZINC000537845049 1031960582 /nfs/dbraw/zinc/96/05/82/1031960582.db2.gz AIPXCFRSXIXJHC-UHFFFAOYSA-N 2 1 346.544 3.730 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn3ccsc3n2)CC1)CC1CC1 ZINC000537845049 1031960597 /nfs/dbraw/zinc/96/05/97/1031960597.db2.gz AIPXCFRSXIXJHC-UHFFFAOYSA-N 2 1 346.544 3.730 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cccc2C)[C@H](C)C1 ZINC000537958405 1032047013 /nfs/dbraw/zinc/04/70/13/1032047013.db2.gz SXSPZJXSXMQMJQ-TZIWHRDSSA-N 2 1 332.532 3.573 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2OC(F)F)C[C@@H]1C ZINC000659983274 1033738816 /nfs/dbraw/zinc/73/88/16/1033738816.db2.gz IONZNFWSNYIGMZ-GXTWGEPZSA-N 2 1 330.394 3.732 20 0 EHADMP C[N@@H+](CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627761 1033759091 /nfs/dbraw/zinc/75/90/91/1033759091.db2.gz PXXNBZDQWXDVIU-FPOVZHCZSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627761 1033759106 /nfs/dbraw/zinc/75/91/06/1033759106.db2.gz PXXNBZDQWXDVIU-FPOVZHCZSA-N 2 1 329.532 3.676 20 0 EHADMP C[NH+](CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550627761 1033759124 /nfs/dbraw/zinc/75/91/24/1033759124.db2.gz PXXNBZDQWXDVIU-FPOVZHCZSA-N 2 1 329.532 3.676 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550644078 1033807919 /nfs/dbraw/zinc/80/79/19/1033807919.db2.gz MCILQXHFETVNPH-LEWJYISDSA-N 3 1 329.532 3.534 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550644078 1033807929 /nfs/dbraw/zinc/80/79/29/1033807929.db2.gz MCILQXHFETVNPH-LEWJYISDSA-N 3 1 329.532 3.534 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CO1 ZINC000658061812 1033877288 /nfs/dbraw/zinc/87/72/88/1033877288.db2.gz VPEWTVQNXZQFCV-NMLBUPMWSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623471566 1034043719 /nfs/dbraw/zinc/04/37/19/1034043719.db2.gz FCZCIKUCEWTNIR-HKUYNNGSSA-N 2 1 348.494 3.953 20 0 EHADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228525 1034088085 /nfs/dbraw/zinc/08/80/85/1034088085.db2.gz JJUMIDJUEUCRMQ-OFLPRAFFSA-N 2 1 346.519 3.655 20 0 EHADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228525 1034088103 /nfs/dbraw/zinc/08/81/03/1034088103.db2.gz JJUMIDJUEUCRMQ-OFLPRAFFSA-N 2 1 346.519 3.655 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)C1 ZINC000529530187 1034113985 /nfs/dbraw/zinc/11/39/85/1034113985.db2.gz HLWZOMSLQFBOPE-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP C[NH+](C)C1CCC([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001168327565 1034155207 /nfs/dbraw/zinc/15/52/07/1034155207.db2.gz OSKKESRSMLRBOK-UHFFFAOYSA-N 3 1 343.559 3.703 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000658319074 1034194349 /nfs/dbraw/zinc/19/43/49/1034194349.db2.gz WPGBJRSOESHHNH-VQTJNVASSA-N 2 1 340.511 3.590 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658320209 1034194668 /nfs/dbraw/zinc/19/46/68/1034194668.db2.gz RPPUCEVYALYPRC-NQIIRXRSSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421822283 1034243774 /nfs/dbraw/zinc/24/37/74/1034243774.db2.gz WQQRVRHUHNVENQ-OAQYLSRUSA-N 2 1 337.511 3.959 20 0 EHADMP C[C@H](O)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000658361910 1034244493 /nfs/dbraw/zinc/24/44/93/1034244493.db2.gz PLXOPAMPPPZFEV-HXHBTQRASA-N 2 1 338.495 3.609 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)C[C@@H]1c1ccccc1 ZINC000421892130 1034310706 /nfs/dbraw/zinc/31/07/06/1034310706.db2.gz WINZYIGCFGLWIX-GBESFXJTSA-N 2 1 330.541 3.945 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)C[C@@H]1c1ccccc1 ZINC000421892130 1034310713 /nfs/dbraw/zinc/31/07/13/1034310713.db2.gz WINZYIGCFGLWIX-GBESFXJTSA-N 2 1 330.541 3.945 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000310368282 1034421072 /nfs/dbraw/zinc/42/10/72/1034421072.db2.gz MWKZJBYPFJQFQX-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)sc1C ZINC000340267999 1034473005 /nfs/dbraw/zinc/47/30/05/1034473005.db2.gz PLOWWRFKCTWROQ-QZTJIDSGSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)sc1C ZINC000340267999 1034473013 /nfs/dbraw/zinc/47/30/13/1034473013.db2.gz PLOWWRFKCTWROQ-QZTJIDSGSA-N 2 1 329.513 3.728 20 0 EHADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C(C)(C)C ZINC000604770968 1034485839 /nfs/dbraw/zinc/48/58/39/1034485839.db2.gz PRIZTIIYBDOMGI-GOSISDBHSA-N 2 1 348.922 3.982 20 0 EHADMP CC(=O)c1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000450635027 1034624488 /nfs/dbraw/zinc/62/44/88/1034624488.db2.gz AFNJPNSQMKGFLZ-UHFFFAOYSA-N 2 1 337.467 3.633 20 0 EHADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000375849297 1034716064 /nfs/dbraw/zinc/71/60/64/1034716064.db2.gz HBIFQMWOSMFCSQ-SLFFLAALSA-N 2 1 327.472 3.523 20 0 EHADMP C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390583251 1034755145 /nfs/dbraw/zinc/75/51/45/1034755145.db2.gz JZPMDWBOQLUECF-SIKLNZKXSA-N 2 1 338.495 3.846 20 0 EHADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc2ccccc21 ZINC000669618854 1034836568 /nfs/dbraw/zinc/83/65/68/1034836568.db2.gz KXESJEQYFFMQOV-OAQYLSRUSA-N 2 1 339.527 3.907 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000628280178 1034947503 /nfs/dbraw/zinc/94/75/03/1034947503.db2.gz UNDILGHNUHJINA-UHFFFAOYSA-N 2 1 325.378 3.775 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000628280178 1034947510 /nfs/dbraw/zinc/94/75/10/1034947510.db2.gz UNDILGHNUHJINA-UHFFFAOYSA-N 2 1 325.378 3.775 20 0 EHADMP CCC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccnc1 ZINC000185654684 1035506825 /nfs/dbraw/zinc/50/68/25/1035506825.db2.gz GQPMIMNYNXFKCX-LJQANCHMSA-N 2 1 339.487 3.588 20 0 EHADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2OC)cc1 ZINC000571537620 1035550314 /nfs/dbraw/zinc/55/03/14/1035550314.db2.gz LASLFZYDUMBZOE-WWMYMODYSA-N 2 1 340.467 3.653 20 0 EHADMP Fc1cccc(F)c1CC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC000414139637 1035740908 /nfs/dbraw/zinc/74/09/08/1035740908.db2.gz GMANYKOKOZTSOI-UHFFFAOYSA-N 2 1 334.454 3.846 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000414165825 1035849717 /nfs/dbraw/zinc/84/97/17/1035849717.db2.gz CUZSXMJBUFSZDV-CDQBWFRLSA-N 2 1 342.527 3.977 20 0 EHADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000414178553 1035898078 /nfs/dbraw/zinc/89/80/78/1035898078.db2.gz KMKTVLYNSKQQOT-YOEHRIQHSA-N 2 1 344.421 3.714 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000414183047 1035938319 /nfs/dbraw/zinc/93/83/19/1035938319.db2.gz NMTVUYAOTAMXTJ-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000414188473 1035957391 /nfs/dbraw/zinc/95/73/91/1035957391.db2.gz QHWVUHGYPLQKQD-CRAIPNDOSA-N 2 1 334.529 3.944 20 0 EHADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000414187095 1035967527 /nfs/dbraw/zinc/96/75/27/1035967527.db2.gz PPPJBDYFMFRCDF-KSSFIOAISA-N 2 1 331.460 3.552 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000414200630 1036023342 /nfs/dbraw/zinc/02/33/42/1036023342.db2.gz XMRHUUUXSXAUFU-UZLBHIALSA-N 2 1 327.447 3.632 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nc1 ZINC000892572877 1036200047 /nfs/dbraw/zinc/20/00/47/1036200047.db2.gz MAOZPHJARBNIJZ-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168387256 1036265219 /nfs/dbraw/zinc/26/52/19/1036265219.db2.gz AVHHHIFQAIFEAK-QGZVFWFLSA-N 2 1 338.499 3.781 20 0 EHADMP CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000191304340 1036364867 /nfs/dbraw/zinc/36/48/67/1036364867.db2.gz SPZHGTHPTWSSLJ-INIZCTEOSA-N 2 1 349.482 3.883 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191693343 1036433895 /nfs/dbraw/zinc/43/38/95/1036433895.db2.gz LJQMXDINESNANO-SECBINFHSA-N 2 1 337.714 3.595 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191693343 1036433902 /nfs/dbraw/zinc/43/39/02/1036433902.db2.gz LJQMXDINESNANO-SECBINFHSA-N 2 1 337.714 3.595 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(C)C ZINC000414293321 1036492592 /nfs/dbraw/zinc/49/25/92/1036492592.db2.gz MKYDFUPEAKBYLC-WHZJULEDSA-N 2 1 330.516 3.567 20 0 EHADMP CCCC1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000539408466 1036729461 /nfs/dbraw/zinc/72/94/61/1036729461.db2.gz WYEKIGBBXZLLPG-WCHWRFHJSA-N 2 1 335.580 3.551 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C)CC1 ZINC000151345289 1037017779 /nfs/dbraw/zinc/01/77/79/1037017779.db2.gz INUYIVYUVPLRRY-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000640016919 1037018769 /nfs/dbraw/zinc/01/87/69/1037018769.db2.gz GHELRSVSHCTHKA-UHFFFAOYSA-N 2 1 349.544 3.543 20 0 EHADMP CS[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000590749975 1037027763 /nfs/dbraw/zinc/02/77/63/1037027763.db2.gz IWEBDGYPIDSRCD-QZTJIDSGSA-N 2 1 336.570 3.561 20 0 EHADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000590786435 1037049958 /nfs/dbraw/zinc/04/99/58/1037049958.db2.gz WXMXGCZXRFVQJR-SFHVURJKSA-N 2 1 345.531 3.683 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786462 1037053061 /nfs/dbraw/zinc/05/30/61/1037053061.db2.gz BEJUSRCSFSHDEI-GOSISDBHSA-N 2 1 345.531 3.683 20 0 EHADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542908 1037067100 /nfs/dbraw/zinc/06/71/00/1037067100.db2.gz DQIAXQJZTWAIAF-STQMWFEESA-N 2 1 343.334 3.722 20 0 EHADMP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000532420123 1037067220 /nfs/dbraw/zinc/06/72/20/1037067220.db2.gz SENVPXCWDWFOTD-INIZCTEOSA-N 2 1 348.487 3.543 20 0 EHADMP c1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)nc1 ZINC000647543343 1037091020 /nfs/dbraw/zinc/09/10/20/1037091020.db2.gz LNOJVJLOZLZZSU-RTWAWAEBSA-N 2 1 335.495 3.960 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838567 1037246179 /nfs/dbraw/zinc/24/61/79/1037246179.db2.gz XDKOJONHRVNXJB-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838567 1037246194 /nfs/dbraw/zinc/24/61/94/1037246194.db2.gz XDKOJONHRVNXJB-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838567 1037246208 /nfs/dbraw/zinc/24/62/08/1037246208.db2.gz XDKOJONHRVNXJB-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000057960275 1037313795 /nfs/dbraw/zinc/31/37/95/1037313795.db2.gz PEAWTLCQDWPGSV-UHFFFAOYSA-N 2 1 346.515 3.981 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000462797244 1037391934 /nfs/dbraw/zinc/39/19/34/1037391934.db2.gz CGXLVNLJPUIZGB-VIYGXFRKSA-N 2 1 336.564 3.929 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797418 1037392468 /nfs/dbraw/zinc/39/24/68/1037392468.db2.gz DDHVBJHELSLINC-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797418 1037392481 /nfs/dbraw/zinc/39/24/81/1037392481.db2.gz DDHVBJHELSLINC-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797418 1037392500 /nfs/dbraw/zinc/39/25/00/1037392500.db2.gz DDHVBJHELSLINC-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000462797418 1037392514 /nfs/dbraw/zinc/39/25/14/1037392514.db2.gz DDHVBJHELSLINC-LPHOPBHVSA-N 2 1 346.515 3.947 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804163 1037424300 /nfs/dbraw/zinc/42/43/00/1037424300.db2.gz CVZIANFQLVXWCF-ODVANORSSA-N 2 1 337.305 3.625 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804163 1037424307 /nfs/dbraw/zinc/42/43/07/1037424307.db2.gz CVZIANFQLVXWCF-ODVANORSSA-N 2 1 337.305 3.625 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2C(C)C)CC1 ZINC000462839170 1037460727 /nfs/dbraw/zinc/46/07/27/1037460727.db2.gz HDFWWGOMLILUGL-PZJWPPBQSA-N 2 1 330.516 3.647 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C1CCC(C(F)(F)F)CC1 ZINC000423475351 1037496642 /nfs/dbraw/zinc/49/66/42/1037496642.db2.gz KEQUTFVUANMBPK-YWPUVAFDSA-N 2 1 328.369 3.578 20 0 EHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423503133 1037516994 /nfs/dbraw/zinc/51/69/94/1037516994.db2.gz MPKFKDOCPLQDCT-CEMLEFRQSA-N 2 1 337.511 3.674 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000491582569 1037559506 /nfs/dbraw/zinc/55/95/06/1037559506.db2.gz ZUQQVOSTRWCYGR-UHFFFAOYSA-N 2 1 336.414 3.882 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000591700525 1037561441 /nfs/dbraw/zinc/56/14/41/1037561441.db2.gz IOYRKZJRYKRMSX-HOTGVXAUSA-N 2 1 345.487 3.803 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000532537807 1037565845 /nfs/dbraw/zinc/56/58/45/1037565845.db2.gz LDIAXKYDRPEOEU-UHFFFAOYSA-N 2 1 348.922 3.779 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000532537807 1037565862 /nfs/dbraw/zinc/56/58/62/1037565862.db2.gz LDIAXKYDRPEOEU-UHFFFAOYSA-N 2 1 348.922 3.779 20 0 EHADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532537775 1037566505 /nfs/dbraw/zinc/56/65/05/1037566505.db2.gz IPCDPIIPKPEDKW-UHFFFAOYSA-N 2 1 346.494 3.748 20 0 EHADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532537775 1037566514 /nfs/dbraw/zinc/56/65/14/1037566514.db2.gz IPCDPIIPKPEDKW-UHFFFAOYSA-N 2 1 346.494 3.748 20 0 EHADMP CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000540168942 1037636212 /nfs/dbraw/zinc/63/62/12/1037636212.db2.gz INYDCUWSRPITAD-NHCUHLMSSA-N 2 1 346.515 3.849 20 0 EHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540171486 1037638158 /nfs/dbraw/zinc/63/81/58/1037638158.db2.gz YNIOXFLCFMICMX-ZVDOUQERSA-N 2 1 332.532 3.795 20 0 EHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463081802 1037732515 /nfs/dbraw/zinc/73/25/15/1037732515.db2.gz GELLZGMQZXQCEZ-GUDVDZBRSA-N 2 1 329.532 3.611 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463124962 1037777121 /nfs/dbraw/zinc/77/71/21/1037777121.db2.gz VJRNMQLQEJWIKZ-GHTZIAJQSA-N 2 1 337.511 3.895 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463121209 1037787493 /nfs/dbraw/zinc/78/74/93/1037787493.db2.gz VHIXCVDTRJHTDD-BAGYTPMASA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463121209 1037787508 /nfs/dbraw/zinc/78/75/08/1037787508.db2.gz VHIXCVDTRJHTDD-BAGYTPMASA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463121209 1037787526 /nfs/dbraw/zinc/78/75/26/1037787526.db2.gz VHIXCVDTRJHTDD-BAGYTPMASA-N 2 1 343.559 3.894 20 0 EHADMP CCCC[N@H+](C)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463122318 1037787617 /nfs/dbraw/zinc/78/76/17/1037787617.db2.gz CZYBJAHBSYBJNT-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP CCCC[N@@H+](C)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463122318 1037787632 /nfs/dbraw/zinc/78/76/32/1037787632.db2.gz CZYBJAHBSYBJNT-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP C[C@@H]1C[C@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463143427 1037790821 /nfs/dbraw/zinc/79/08/21/1037790821.db2.gz SIGDQCHZOBRINM-TZIWHRDSSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463151783 1037823448 /nfs/dbraw/zinc/82/34/48/1037823448.db2.gz MYGUTHAOWZSCRR-NXLVEIQXSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463272346 1037977050 /nfs/dbraw/zinc/97/70/50/1037977050.db2.gz PGTKUIGMSYTLAK-QIJUGHKUSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463272346 1037977067 /nfs/dbraw/zinc/97/70/67/1037977067.db2.gz PGTKUIGMSYTLAK-QIJUGHKUSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000925525016 1038261193 /nfs/dbraw/zinc/26/11/93/1038261193.db2.gz DELSLVBDEYLWRL-GMOBBJLQSA-N 2 1 332.332 3.626 20 0 EHADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163937301 1038416458 /nfs/dbraw/zinc/41/64/58/1038416458.db2.gz MONXNUCQLGUMIU-ZWKOTPCHSA-N 2 1 348.531 3.700 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000538718486 1038489816 /nfs/dbraw/zinc/48/98/16/1038489816.db2.gz WFACPAIELZRPKU-CZUORRHYSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000538718486 1038489819 /nfs/dbraw/zinc/48/98/19/1038489819.db2.gz WFACPAIELZRPKU-CZUORRHYSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000538718486 1038489824 /nfs/dbraw/zinc/48/98/24/1038489824.db2.gz WFACPAIELZRPKU-CZUORRHYSA-N 2 1 330.394 3.747 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000538796600 1038531561 /nfs/dbraw/zinc/53/15/61/1038531561.db2.gz MNEYUCDAHPYAPR-QXAKKESOSA-N 2 1 336.907 3.640 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000538796600 1038531564 /nfs/dbraw/zinc/53/15/64/1038531564.db2.gz MNEYUCDAHPYAPR-QXAKKESOSA-N 2 1 336.907 3.640 20 0 EHADMP CCn1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893225447 1038581931 /nfs/dbraw/zinc/58/19/31/1038581931.db2.gz LGXBIAUKRMIANQ-YLJYHZDGSA-N 2 1 340.515 3.602 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cn(C)cn1 ZINC000924680275 1038630983 /nfs/dbraw/zinc/63/09/83/1038630983.db2.gz PPGQYSNWPBVHBB-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cn(C)cn1 ZINC000924680275 1038630986 /nfs/dbraw/zinc/63/09/86/1038630986.db2.gz PPGQYSNWPBVHBB-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183190490 1038680261 /nfs/dbraw/zinc/68/02/61/1038680261.db2.gz RVVQXDLGGMRVFV-FRQCXROJSA-N 2 1 328.500 3.925 20 0 EHADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000539200113 1038726038 /nfs/dbraw/zinc/72/60/38/1038726038.db2.gz AWUFYKDOKQFEPJ-IBGZPJMESA-N 2 1 337.939 3.654 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871241 1038813890 /nfs/dbraw/zinc/81/38/90/1038813890.db2.gz DCNGWYUDUNAPLB-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871241 1038813909 /nfs/dbraw/zinc/81/39/09/1038813909.db2.gz DCNGWYUDUNAPLB-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871241 1038813940 /nfs/dbraw/zinc/81/39/40/1038813940.db2.gz DCNGWYUDUNAPLB-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916657 1038898505 /nfs/dbraw/zinc/89/85/05/1038898505.db2.gz SIWFEMQCRZKJRD-RTBURBONSA-N 3 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916657 1038898524 /nfs/dbraw/zinc/89/85/24/1038898524.db2.gz SIWFEMQCRZKJRD-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916657 1038898538 /nfs/dbraw/zinc/89/85/38/1038898538.db2.gz SIWFEMQCRZKJRD-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000554141204 1038965203 /nfs/dbraw/zinc/96/52/03/1038965203.db2.gz ZUEQSZWJDQUPAE-QFIPXVFZSA-N 2 1 345.575 3.950 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480050538 1039089362 /nfs/dbraw/zinc/08/93/62/1039089362.db2.gz WGXRPKLURFEYQC-MJGOQNOKSA-N 2 1 334.479 3.934 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]2CCC[C@@H]21 ZINC000552289907 1039142058 /nfs/dbraw/zinc/14/20/58/1039142058.db2.gz PNPQGVMWTFDFDT-AABGKKOBSA-N 2 1 345.556 3.520 20 0 EHADMP CCCCOCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485488575 1039142962 /nfs/dbraw/zinc/14/29/62/1039142962.db2.gz KMMJJUWYEPMECD-UHFFFAOYSA-N 2 1 330.516 3.791 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)cc1F ZINC000488432725 1039176401 /nfs/dbraw/zinc/17/64/01/1039176401.db2.gz HHEVJHPJFIALLW-QAPCUYQASA-N 2 1 333.476 3.940 20 0 EHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000488433394 1039176945 /nfs/dbraw/zinc/17/69/45/1039176945.db2.gz QZGDCTFWORIVOZ-RTBURBONSA-N 2 1 348.556 3.529 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432786937 1039186236 /nfs/dbraw/zinc/18/62/36/1039186236.db2.gz QJRBFSQQXUZTIB-IBGZPJMESA-N 2 1 340.515 3.912 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432786937 1039186250 /nfs/dbraw/zinc/18/62/50/1039186250.db2.gz QJRBFSQQXUZTIB-IBGZPJMESA-N 2 1 340.515 3.912 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COC5(CCC5)C4)C[C@@H]3C2)cc1 ZINC000898517857 1039186483 /nfs/dbraw/zinc/18/64/83/1039186483.db2.gz UVKABILRNFDJIS-WOZUAGRISA-N 2 1 340.511 3.588 20 0 EHADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898519009 1039188479 /nfs/dbraw/zinc/18/84/79/1039188479.db2.gz MKHLEODRCMVNTL-CEXWTWQISA-N 2 1 330.541 3.772 20 0 EHADMP c1nc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000898523057 1039200025 /nfs/dbraw/zinc/20/00/25/1039200025.db2.gz XYLNGSXZLPXAQC-SQNIBIBYSA-N 2 1 327.497 3.533 20 0 EHADMP CC(C)(C)CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512458188 1039221240 /nfs/dbraw/zinc/22/12/40/1039221240.db2.gz YYLWJCWQZBTANC-OAQYLSRUSA-N 2 1 343.559 3.705 20 0 EHADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480167079 1039255233 /nfs/dbraw/zinc/25/52/33/1039255233.db2.gz QLJHGUXVDTYSIR-IFMALSPDSA-N 3 1 343.559 3.609 20 0 EHADMP COC[C@@H](NCCC[N@@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000480175864 1039265616 /nfs/dbraw/zinc/26/56/16/1039265616.db2.gz CWCNMFAEEAZQRP-MRXNPFEDSA-N 2 1 332.410 3.713 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222997 1039322660 /nfs/dbraw/zinc/32/26/60/1039322660.db2.gz IJWWEFZLZZKSCA-XMSQKQJNSA-N 2 1 349.522 3.679 20 0 EHADMP COC1(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000480311806 1039418421 /nfs/dbraw/zinc/41/84/21/1039418421.db2.gz XALRXXRFFBLVAH-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP COC1(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000480311812 1039418773 /nfs/dbraw/zinc/41/87/73/1039418773.db2.gz XALRXXRFFBLVAH-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911926783 1039579314 /nfs/dbraw/zinc/57/93/14/1039579314.db2.gz ZRFUJWINVRSYHE-HNNXBMFYSA-N 2 1 349.438 3.596 20 0 EHADMP Cc1cccc(N2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)[nH+]1 ZINC000345060252 1039610602 /nfs/dbraw/zinc/61/06/02/1039610602.db2.gz OVFASAGKMYZMRD-UHFFFAOYSA-N 2 1 343.515 3.688 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000552920028 1039635979 /nfs/dbraw/zinc/63/59/79/1039635979.db2.gz QRRGOASUQJRAAO-PGRDOPGGSA-N 2 1 344.543 3.518 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000554842255 1039795876 /nfs/dbraw/zinc/79/58/76/1039795876.db2.gz UKCZISUMEWAVCT-LEWJYISDSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000554842255 1039795890 /nfs/dbraw/zinc/79/58/90/1039795890.db2.gz UKCZISUMEWAVCT-LEWJYISDSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000554842258 1039796291 /nfs/dbraw/zinc/79/62/91/1039796291.db2.gz UKCZISUMEWAVCT-SFTDATJTSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000554842258 1039796308 /nfs/dbraw/zinc/79/63/08/1039796308.db2.gz UKCZISUMEWAVCT-SFTDATJTSA-N 2 1 344.543 3.818 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549780005 1039846906 /nfs/dbraw/zinc/84/69/06/1039846906.db2.gz RNVSNQFVNVWPQE-INIZCTEOSA-N 2 1 344.449 3.980 20 0 EHADMP Cc1ccc2ccccc2c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000553177806 1039857306 /nfs/dbraw/zinc/85/73/06/1039857306.db2.gz QQNDYHRZCOVUSQ-UHFFFAOYSA-N 2 1 339.527 3.606 20 0 EHADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)C1 ZINC000907062113 1039910614 /nfs/dbraw/zinc/91/06/14/1039910614.db2.gz OVPPZCNAGKDNGS-LJQANCHMSA-N 2 1 343.515 3.651 20 0 EHADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000554949253 1039973464 /nfs/dbraw/zinc/97/34/64/1039973464.db2.gz FZLUDEZTNSKXLE-GUDVDZBRSA-N 2 1 335.923 3.549 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000489572820 1040094379 /nfs/dbraw/zinc/09/43/79/1040094379.db2.gz MXBZIDMGXMFAOR-GFCCVEGCSA-N 2 1 331.273 3.969 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000489572820 1040094388 /nfs/dbraw/zinc/09/43/88/1040094388.db2.gz MXBZIDMGXMFAOR-GFCCVEGCSA-N 2 1 331.273 3.969 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633958 1040113615 /nfs/dbraw/zinc/11/36/15/1040113615.db2.gz SLQZFPRNGAYJRN-UBHSHLNASA-N 2 1 341.268 3.866 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633958 1040113619 /nfs/dbraw/zinc/11/36/19/1040113619.db2.gz SLQZFPRNGAYJRN-UBHSHLNASA-N 2 1 341.268 3.866 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000893326189 1040325569 /nfs/dbraw/zinc/32/55/69/1040325569.db2.gz CNCUXWCYQZOJAC-UHFFFAOYSA-N 2 1 328.456 3.810 20 0 EHADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166538437 1040331974 /nfs/dbraw/zinc/33/19/74/1040331974.db2.gz RWHBNPLGMKSMNU-AWEZNQCLSA-N 2 1 348.288 3.701 20 0 EHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166538437 1040331985 /nfs/dbraw/zinc/33/19/85/1040331985.db2.gz RWHBNPLGMKSMNU-AWEZNQCLSA-N 2 1 348.288 3.701 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCS4)[C@@H]3C2)cc1 ZINC000512632392 1040338925 /nfs/dbraw/zinc/33/89/25/1040338925.db2.gz ZZDKXCGERIURMG-HAGHYFMRSA-N 2 1 330.541 3.772 20 0 EHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479548408 1040361090 /nfs/dbraw/zinc/36/10/90/1040361090.db2.gz ZGZANYUTGNNUBC-GHTZIAJQSA-N 2 1 328.500 3.601 20 0 EHADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000500115358 1040538461 /nfs/dbraw/zinc/53/84/61/1040538461.db2.gz LHJISLOJYZROFL-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667872449 1040782298 /nfs/dbraw/zinc/78/22/98/1040782298.db2.gz AEGMZEGPKDDTEY-TZIWHRDSSA-N 2 1 340.467 3.569 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000481404810 1040849959 /nfs/dbraw/zinc/84/99/59/1040849959.db2.gz OEUABJBYLGHVQJ-UGKGYDQZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000481404810 1040849977 /nfs/dbraw/zinc/84/99/77/1040849977.db2.gz OEUABJBYLGHVQJ-UGKGYDQZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000481404810 1040849997 /nfs/dbraw/zinc/84/99/97/1040849997.db2.gz OEUABJBYLGHVQJ-UGKGYDQZSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000311209861 1040901111 /nfs/dbraw/zinc/90/11/11/1040901111.db2.gz KQPJNDXACRWXLR-FQEVSTJZSA-N 2 1 340.515 3.856 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000311209861 1040901136 /nfs/dbraw/zinc/90/11/36/1040901136.db2.gz KQPJNDXACRWXLR-FQEVSTJZSA-N 2 1 340.515 3.856 20 0 EHADMP C[C@@H]1C[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)C[C@@H](C)O1 ZINC000253603003 1040994927 /nfs/dbraw/zinc/99/49/27/1040994927.db2.gz HPIKMEQMPULLEJ-ZIAGYGMSSA-N 2 1 333.863 3.799 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)[nH+]1 ZINC000512827817 1041050235 /nfs/dbraw/zinc/05/02/35/1041050235.db2.gz LJYVOIUQWXSNDV-YZTRRJNXSA-N 2 1 325.431 3.976 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)[nH+]1 ZINC000512827817 1041050248 /nfs/dbraw/zinc/05/02/48/1041050248.db2.gz LJYVOIUQWXSNDV-YZTRRJNXSA-N 2 1 325.431 3.976 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000221808959 1041093021 /nfs/dbraw/zinc/09/30/21/1041093021.db2.gz DUZGQBLPVORWDD-UHFFFAOYSA-N 2 1 325.294 3.659 20 0 EHADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)ccc1Cl ZINC001212144889 1041113634 /nfs/dbraw/zinc/11/36/34/1041113634.db2.gz GLJUDOVKGAHMKH-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000569914749 1041158369 /nfs/dbraw/zinc/15/83/69/1041158369.db2.gz MDRQHBJVBUAVLZ-QGZVFWFLSA-N 2 1 341.503 3.573 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000571103957 1041184959 /nfs/dbraw/zinc/18/49/59/1041184959.db2.gz IAOBOYKNKPRXAE-UHFFFAOYSA-N 2 1 329.463 3.979 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000571103957 1041184969 /nfs/dbraw/zinc/18/49/69/1041184969.db2.gz IAOBOYKNKPRXAE-UHFFFAOYSA-N 2 1 329.463 3.979 20 0 EHADMP CCCn1ccnc1CCCN(C)Cc1nsc2ccccc21 ZINC000660417098 1041190784 /nfs/dbraw/zinc/19/07/84/1041190784.db2.gz RTQMLZCFCLKSFD-UHFFFAOYSA-N 2 1 328.485 3.967 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(OC(F)(F)F)ccc21 ZINC000899876822 1041268946 /nfs/dbraw/zinc/26/89/46/1041268946.db2.gz PHYVWNVAQYINER-NWDGAFQWSA-N 2 1 339.361 3.662 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000481712516 1041293216 /nfs/dbraw/zinc/29/32/16/1041293216.db2.gz ATILAAVPUADMRZ-GHTZIAJQSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000481712516 1041293229 /nfs/dbraw/zinc/29/32/29/1041293229.db2.gz ATILAAVPUADMRZ-GHTZIAJQSA-N 2 1 330.516 3.836 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000390714327 1041353436 /nfs/dbraw/zinc/35/34/36/1041353436.db2.gz XQZZRQXNQLIVDR-UFYCRDLUSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCOC1 ZINC000390714327 1041353449 /nfs/dbraw/zinc/35/34/49/1041353449.db2.gz XQZZRQXNQLIVDR-UFYCRDLUSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000651636842 1041818524 /nfs/dbraw/zinc/81/85/24/1041818524.db2.gz VDDBQTNNWMEDSZ-OALUTQOASA-N 2 1 326.488 3.516 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c2ccccn21 ZINC000651636842 1041818532 /nfs/dbraw/zinc/81/85/32/1041818532.db2.gz VDDBQTNNWMEDSZ-OALUTQOASA-N 2 1 326.488 3.516 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cc4cnccc4o3)C2)c1 ZINC000651692083 1041932515 /nfs/dbraw/zinc/93/25/15/1041932515.db2.gz SIEVRQURZJSPOS-HNNXBMFYSA-N 2 1 341.480 3.891 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cc4cnccc4o3)C2)c1 ZINC000651692083 1041932526 /nfs/dbraw/zinc/93/25/26/1041932526.db2.gz SIEVRQURZJSPOS-HNNXBMFYSA-N 2 1 341.480 3.891 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661198552 1042002819 /nfs/dbraw/zinc/00/28/19/1042002819.db2.gz LFTGNXDDGHETJQ-LJQANCHMSA-N 2 1 327.472 3.651 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661198552 1042002823 /nfs/dbraw/zinc/00/28/23/1042002823.db2.gz LFTGNXDDGHETJQ-LJQANCHMSA-N 2 1 327.472 3.651 20 0 EHADMP Brc1ccccc1C[N@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000652343766 1042400586 /nfs/dbraw/zinc/40/05/86/1042400586.db2.gz WQLWQTBHVXSFJF-AWEZNQCLSA-N 2 1 337.305 3.803 20 0 EHADMP Brc1ccccc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000652343766 1042400590 /nfs/dbraw/zinc/40/05/90/1042400590.db2.gz WQLWQTBHVXSFJF-AWEZNQCLSA-N 2 1 337.305 3.803 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)C1 ZINC000652348843 1042408609 /nfs/dbraw/zinc/40/86/09/1042408609.db2.gz UAHUVTRPEAHEBC-JFIYKMOQSA-N 2 1 349.544 3.519 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000245420698 1042504255 /nfs/dbraw/zinc/50/42/55/1042504255.db2.gz HQMJXAYXNJRXGU-FZMZJTMJSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000245420698 1042504260 /nfs/dbraw/zinc/50/42/60/1042504260.db2.gz HQMJXAYXNJRXGU-FZMZJTMJSA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000245420698 1042504263 /nfs/dbraw/zinc/50/42/63/1042504263.db2.gz HQMJXAYXNJRXGU-FZMZJTMJSA-N 2 1 331.323 3.673 20 0 EHADMP c1ccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)cc1 ZINC000662254663 1042638252 /nfs/dbraw/zinc/63/82/52/1042638252.db2.gz RYUCOKJAHQVXIV-OAQYLSRUSA-N 2 1 336.479 3.514 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OCC ZINC000278863084 1042661003 /nfs/dbraw/zinc/66/10/03/1042661003.db2.gz BAKHWDJVMBVAKS-HZPDHXFCSA-N 2 1 343.471 3.594 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291763 1042662444 /nfs/dbraw/zinc/66/24/44/1042662444.db2.gz KAZPSOVXHODVAJ-UKRRQHHQSA-N 2 1 346.500 3.571 20 0 EHADMP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)ccc1F ZINC000662314471 1042681031 /nfs/dbraw/zinc/68/10/31/1042681031.db2.gz DNAUJBDKADJZDY-CXAGYDPISA-N 2 1 346.450 3.524 20 0 EHADMP c1ccc(C23CC(C2)C[N@H+]3Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000662330693 1042685869 /nfs/dbraw/zinc/68/58/69/1042685869.db2.gz BHNVGMAYMKZLLU-UHFFFAOYSA-N 2 1 348.490 3.640 20 0 EHADMP c1ccc(C23CC(C2)C[N@@H+]3Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000662330693 1042685873 /nfs/dbraw/zinc/68/58/73/1042685873.db2.gz BHNVGMAYMKZLLU-UHFFFAOYSA-N 2 1 348.490 3.640 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1SC ZINC000663347601 1042738310 /nfs/dbraw/zinc/73/83/10/1042738310.db2.gz PUVIMHNFXUNEBX-QGZVFWFLSA-N 2 1 334.529 3.629 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)cc2)C1 ZINC000662675059 1042826016 /nfs/dbraw/zinc/82/60/16/1042826016.db2.gz IPFBSVOBINTOLT-MRXNPFEDSA-N 2 1 341.499 3.532 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468907 1042894301 /nfs/dbraw/zinc/89/43/01/1042894301.db2.gz NGTQLMBJMBMTNH-YLJYHZDGSA-N 2 1 330.516 3.728 20 0 EHADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000663470659 1042900312 /nfs/dbraw/zinc/90/03/12/1042900312.db2.gz WBALJLKKFRWUIO-UGKGYDQZSA-N 2 1 342.527 3.728 20 0 EHADMP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278928249 1042973643 /nfs/dbraw/zinc/97/36/43/1042973643.db2.gz ISXRWBLWKTXATP-KBPBESRZSA-N 2 1 325.412 3.551 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418365 1043139393 /nfs/dbraw/zinc/13/93/93/1043139393.db2.gz RLLMAEFXGFZFKF-HNAYVOBHSA-N 2 1 336.907 3.882 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CCCO1 ZINC000432425372 1043174492 /nfs/dbraw/zinc/17/44/92/1043174492.db2.gz USHZIEUNZBDIFS-AHRSYUTCSA-N 2 1 334.479 3.552 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CCCO1 ZINC000432425372 1043174498 /nfs/dbraw/zinc/17/44/98/1043174498.db2.gz USHZIEUNZBDIFS-AHRSYUTCSA-N 2 1 334.479 3.552 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430472 1044067612 /nfs/dbraw/zinc/06/76/12/1044067612.db2.gz GOIBPEDRJMFRFF-IIDMSEBBSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430472 1044067625 /nfs/dbraw/zinc/06/76/25/1044067625.db2.gz GOIBPEDRJMFRFF-IIDMSEBBSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430474 1044068829 /nfs/dbraw/zinc/06/88/29/1044068829.db2.gz GOIBPEDRJMFRFF-RKVPGOIHSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430474 1044068844 /nfs/dbraw/zinc/06/88/44/1044068844.db2.gz GOIBPEDRJMFRFF-RKVPGOIHSA-N 2 1 343.446 3.831 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000344691190 1044298736 /nfs/dbraw/zinc/29/87/36/1044298736.db2.gz XLTZIMARXUFHQC-SJLPKXTDSA-N 2 1 334.504 3.692 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000344691190 1044298753 /nfs/dbraw/zinc/29/87/53/1044298753.db2.gz XLTZIMARXUFHQC-SJLPKXTDSA-N 2 1 334.504 3.692 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000279778086 1044646139 /nfs/dbraw/zinc/64/61/39/1044646139.db2.gz BVOMWPZRZMQEII-XHSDSOJGSA-N 2 1 345.487 3.627 20 0 EHADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000261622210 1044722024 /nfs/dbraw/zinc/72/20/24/1044722024.db2.gz GFUJRPVINKORDM-QHAWAJNXSA-N 2 1 329.532 3.539 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000153840052 1125666728 /nfs/dbraw/zinc/66/67/28/1125666728.db2.gz RRRRFLPCWRGUEI-XODKDNOYSA-N 2 1 343.559 3.968 20 0 EHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671240235 1126816092 /nfs/dbraw/zinc/81/60/92/1126816092.db2.gz LCEZUARNNDSASV-INIZCTEOSA-N 2 1 342.487 3.851 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000174349984 1126851508 /nfs/dbraw/zinc/85/15/08/1126851508.db2.gz DFACWXBZEWGEPG-LBPRGKRZSA-N 2 1 337.414 3.836 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000174773262 1126860302 /nfs/dbraw/zinc/86/03/02/1126860302.db2.gz HPYXEPSPOKXXOW-PBHICJAKSA-N 2 1 344.421 3.790 20 0 EHADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CCCC2)c1 ZINC000623410214 1126947064 /nfs/dbraw/zinc/94/70/64/1126947064.db2.gz GOUDDBXZYAHLPZ-SFHVURJKSA-N 2 1 330.516 3.969 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1OC1CC1 ZINC000623439934 1126955905 /nfs/dbraw/zinc/95/59/05/1126955905.db2.gz BNAVHFCWCJTCHT-UHFFFAOYSA-N 2 1 344.499 3.733 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000623441415 1126956014 /nfs/dbraw/zinc/95/60/14/1126956014.db2.gz SGVAJOCKXFVSRD-APWZRJJASA-N 2 1 334.467 3.706 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000623441415 1126956018 /nfs/dbraw/zinc/95/60/18/1126956018.db2.gz SGVAJOCKXFVSRD-APWZRJJASA-N 2 1 334.467 3.706 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515964 1126973159 /nfs/dbraw/zinc/97/31/59/1126973159.db2.gz XUEJOPPDXARWIQ-WOJBJXKFSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515964 1126973162 /nfs/dbraw/zinc/97/31/62/1126973162.db2.gz XUEJOPPDXARWIQ-WOJBJXKFSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515964 1126973164 /nfs/dbraw/zinc/97/31/64/1126973164.db2.gz XUEJOPPDXARWIQ-WOJBJXKFSA-N 3 1 343.559 3.750 20 0 EHADMP CCOc1cccc(CNC[C@H]2CCCC[N@@H+](C)C2)c1OC(F)F ZINC000623655333 1127006164 /nfs/dbraw/zinc/00/61/64/1127006164.db2.gz UZNOBAGCBTVBDC-CQSZACIVSA-N 2 1 342.430 3.508 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1OC(F)F ZINC000623655333 1127006167 /nfs/dbraw/zinc/00/61/67/1127006167.db2.gz UZNOBAGCBTVBDC-CQSZACIVSA-N 2 1 342.430 3.508 20 0 EHADMP CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1OC(F)F ZINC000623655333 1127006170 /nfs/dbraw/zinc/00/61/70/1127006170.db2.gz UZNOBAGCBTVBDC-CQSZACIVSA-N 2 1 342.430 3.508 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000179884975 1127098037 /nfs/dbraw/zinc/09/80/37/1127098037.db2.gz NXXHEVQSXNQQLC-ZWKOTPCHSA-N 2 1 346.563 3.804 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430775 1127154967 /nfs/dbraw/zinc/15/49/67/1127154967.db2.gz LMKPLEKAOMDCJP-BBRMVZONSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430775 1127154968 /nfs/dbraw/zinc/15/49/68/1127154968.db2.gz LMKPLEKAOMDCJP-BBRMVZONSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861043 1127200794 /nfs/dbraw/zinc/20/07/94/1127200794.db2.gz NBQVAYXOIYFWAZ-NEPJUHHUSA-N 2 1 330.369 3.979 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000623899070 1127209662 /nfs/dbraw/zinc/20/96/62/1127209662.db2.gz ZPSPWTDSNJMJDE-YDHLFZDLSA-N 2 1 325.294 3.891 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623949893 1127218176 /nfs/dbraw/zinc/21/81/76/1127218176.db2.gz GVMZEPKOBDARDK-ZHALLVOQSA-N 2 1 345.531 3.581 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623949893 1127218177 /nfs/dbraw/zinc/21/81/77/1127218177.db2.gz GVMZEPKOBDARDK-ZHALLVOQSA-N 2 1 345.531 3.581 20 0 EHADMP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623941156 1127219228 /nfs/dbraw/zinc/21/92/28/1127219228.db2.gz KWMFQEHUJAUCAO-SFHVURJKSA-N 2 1 347.572 3.829 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCCO1 ZINC000624016285 1127234190 /nfs/dbraw/zinc/23/41/90/1127234190.db2.gz SUVFVWSYZZDOEF-CEWLAPEOSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120637 1127255515 /nfs/dbraw/zinc/25/55/15/1127255515.db2.gz DAUSHINFHNETMY-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1sccc1Br ZINC000624120637 1127255519 /nfs/dbraw/zinc/25/55/19/1127255519.db2.gz DAUSHINFHNETMY-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120637 1127255524 /nfs/dbraw/zinc/25/55/24/1127255524.db2.gz DAUSHINFHNETMY-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120773 1127255592 /nfs/dbraw/zinc/25/55/92/1127255592.db2.gz GVEBHIFPXROGIJ-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000624120773 1127255593 /nfs/dbraw/zinc/25/55/93/1127255593.db2.gz GVEBHIFPXROGIJ-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000624120773 1127255596 /nfs/dbraw/zinc/25/55/96/1127255596.db2.gz GVEBHIFPXROGIJ-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(F)cc(Br)c1 ZINC000181527261 1127281717 /nfs/dbraw/zinc/28/17/17/1127281717.db2.gz UMKUAVWISSOJSQ-LRDDRELGSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323153 1127372306 /nfs/dbraw/zinc/37/23/06/1127372306.db2.gz GGFLRGHLNFUQBV-DOMZBBRYSA-N 2 1 331.287 3.582 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@@H]1CC[NH3+] ZINC000404409710 1127415008 /nfs/dbraw/zinc/41/50/08/1127415008.db2.gz BUPWSVKNRKEDRA-SUMWQHHRSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)[C@@H]1CC[NH3+] ZINC000404409710 1127415011 /nfs/dbraw/zinc/41/50/11/1127415011.db2.gz BUPWSVKNRKEDRA-SUMWQHHRSA-N 2 1 333.863 3.944 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254931 1127422920 /nfs/dbraw/zinc/42/29/20/1127422920.db2.gz RUBIBNJQSCAWBI-WMZOPIPTSA-N 2 1 336.495 3.677 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254931 1127422922 /nfs/dbraw/zinc/42/29/22/1127422922.db2.gz RUBIBNJQSCAWBI-WMZOPIPTSA-N 2 1 336.495 3.677 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254931 1127422924 /nfs/dbraw/zinc/42/29/24/1127422924.db2.gz RUBIBNJQSCAWBI-WMZOPIPTSA-N 2 1 336.495 3.677 20 0 EHADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000383765969 1127557367 /nfs/dbraw/zinc/55/73/67/1127557367.db2.gz FSLFBMBPQPRCHI-WJFTUGDTSA-N 2 1 334.454 3.922 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(C)ccc32)[C@H](C)C1 ZINC000765428679 1127611922 /nfs/dbraw/zinc/61/19/22/1127611922.db2.gz UJVLCKWTASMVAR-JRGCBEDISA-N 2 1 330.516 3.709 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000075799820 1127668992 /nfs/dbraw/zinc/66/89/92/1127668992.db2.gz SDPYXRYQCSFTRF-UHFFFAOYSA-N 2 1 342.458 3.631 20 0 EHADMP CCC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000386497693 1127686505 /nfs/dbraw/zinc/68/65/05/1127686505.db2.gz YOXMLPHJJYBEJA-NRFANRHFSA-N 2 1 343.559 3.753 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000386497693 1127686509 /nfs/dbraw/zinc/68/65/09/1127686509.db2.gz YOXMLPHJJYBEJA-NRFANRHFSA-N 3 1 343.559 3.753 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000386497693 1127686512 /nfs/dbraw/zinc/68/65/12/1127686512.db2.gz YOXMLPHJJYBEJA-NRFANRHFSA-N 3 1 343.559 3.753 20 0 EHADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000386610197 1127705514 /nfs/dbraw/zinc/70/55/14/1127705514.db2.gz MMHRRIPVEQKYTO-LPHOPBHVSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)c1 ZINC000921587633 1127757624 /nfs/dbraw/zinc/75/76/24/1127757624.db2.gz BIGUQOAPOGUBED-UHFFFAOYSA-N 2 1 339.414 3.927 20 0 EHADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(COc3ccccc3)c1)C2 ZINC000921630162 1127899693 /nfs/dbraw/zinc/89/96/93/1127899693.db2.gz FTYJMOCQZOLSOQ-IBGZPJMESA-N 2 1 333.435 3.567 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)oc1C ZINC000282206555 1128073128 /nfs/dbraw/zinc/07/31/28/1128073128.db2.gz OFMLHCPTOHPJAY-AWEZNQCLSA-N 2 1 328.460 3.623 20 0 EHADMP CCCn1c(C)cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000347573339 1128109024 /nfs/dbraw/zinc/10/90/24/1128109024.db2.gz VAZPVSCEHFBKOC-UHFFFAOYSA-N 2 1 347.547 3.751 20 0 EHADMP CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000671752635 1128210361 /nfs/dbraw/zinc/21/03/61/1128210361.db2.gz WLVRYTJYFSJSKA-FNAHDJPLSA-N 2 1 344.543 3.818 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000623657000 1128452139 /nfs/dbraw/zinc/45/21/39/1128452139.db2.gz HJPOPZISHPRNTC-KRWDZBQOSA-N 2 1 343.446 3.835 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000623657000 1128452141 /nfs/dbraw/zinc/45/21/41/1128452141.db2.gz HJPOPZISHPRNTC-KRWDZBQOSA-N 2 1 343.446 3.835 20 0 EHADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC2CCCCC2)n1 ZINC000166418708 1128462127 /nfs/dbraw/zinc/46/21/27/1128462127.db2.gz ATRMDPRUWSOCHW-ZWKOTPCHSA-N 2 1 329.488 3.510 20 0 EHADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCCCC2)n1 ZINC000166418708 1128462128 /nfs/dbraw/zinc/46/21/28/1128462128.db2.gz ATRMDPRUWSOCHW-ZWKOTPCHSA-N 2 1 329.488 3.510 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000542671969 1128463234 /nfs/dbraw/zinc/46/32/34/1128463234.db2.gz ZEMSHRGNQAGUKF-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000542671969 1128463235 /nfs/dbraw/zinc/46/32/35/1128463235.db2.gz ZEMSHRGNQAGUKF-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)C1 ZINC001168619642 1128472553 /nfs/dbraw/zinc/47/25/53/1128472553.db2.gz ZJODKGBQLBKSAM-BBTUJRGHSA-N 2 1 346.515 3.768 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)C1 ZINC001168619642 1128472558 /nfs/dbraw/zinc/47/25/58/1128472558.db2.gz ZJODKGBQLBKSAM-BBTUJRGHSA-N 2 1 346.515 3.768 20 0 EHADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000401030874 1128553580 /nfs/dbraw/zinc/55/35/80/1128553580.db2.gz MHRRGQTXULZOBC-DENIHFKCSA-N 2 1 337.511 3.741 20 0 EHADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC000656198480 1128808629 /nfs/dbraw/zinc/80/86/29/1128808629.db2.gz XDGMYROTJIRFGA-UONOGXRCSA-N 2 1 327.453 3.916 20 0 EHADMP Cc1ccc(C[N@H+](C)Cc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000231567277 1120175559 /nfs/dbraw/zinc/17/55/59/1120175559.db2.gz JWCUXRRLNWRYFV-UHFFFAOYSA-N 2 1 326.484 3.958 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Cl)cc3C)CC2)nc(C)[nH+]1 ZINC000129979702 1120349248 /nfs/dbraw/zinc/34/92/48/1120349248.db2.gz QWTCKYKFNAJRJL-UHFFFAOYSA-N 2 1 344.890 3.814 20 0 EHADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186835596 1120476590 /nfs/dbraw/zinc/47/65/90/1120476590.db2.gz IOHCPEYUWCHODT-NHCUHLMSSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186827085 1120476620 /nfs/dbraw/zinc/47/66/20/1120476620.db2.gz FCLFNTLPAWTBOA-FGZHOGPDSA-N 2 1 344.543 3.877 20 0 EHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccnn1-c1ccccc1 ZINC000467387824 1120744252 /nfs/dbraw/zinc/74/42/52/1120744252.db2.gz DJSQMGGERRXBPS-ZWKOTPCHSA-N 2 1 326.488 3.787 20 0 EHADMP c1cc(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193253219 1120767248 /nfs/dbraw/zinc/76/72/48/1120767248.db2.gz KCOYHEYCHFPPMP-HXUWFJFHSA-N 2 1 328.500 3.504 20 0 EHADMP Cc1ccccc1[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC000495055212 1120941201 /nfs/dbraw/zinc/94/12/01/1120941201.db2.gz ZRADYVFNWIMRKI-FQEVSTJZSA-N 2 1 330.516 3.927 20 0 EHADMP Brc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250258262 1120959615 /nfs/dbraw/zinc/95/96/15/1120959615.db2.gz RVKOFRREORUIMA-CCRGXQTGSA-N 2 1 349.316 3.912 20 0 EHADMP CCC[NH+]1CCC(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000397996576 1121957867 /nfs/dbraw/zinc/95/78/67/1121957867.db2.gz CAYKDMMMHQOVKK-NRFANRHFSA-N 2 1 331.548 3.607 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000397996576 1121957878 /nfs/dbraw/zinc/95/78/78/1121957878.db2.gz CAYKDMMMHQOVKK-NRFANRHFSA-N 2 1 331.548 3.607 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COCc2ccccc21 ZINC000398105956 1121970365 /nfs/dbraw/zinc/97/03/65/1121970365.db2.gz BMTAXLUNVHNCQT-WTNAPCKOSA-N 2 1 336.479 3.758 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125183519 1122308273 /nfs/dbraw/zinc/30/82/73/1122308273.db2.gz DADBBDSIEWBAKB-PXNSSMCTSA-N 2 1 348.494 3.514 20 0 EHADMP Cc1nc(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC000125472729 1122318186 /nfs/dbraw/zinc/31/81/86/1122318186.db2.gz ZELGYWRSIBPFPX-INIZCTEOSA-N 2 1 335.561 3.971 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125859591 1122349346 /nfs/dbraw/zinc/34/93/46/1122349346.db2.gz YOVHVGRZYHJLMG-PKOBYXMFSA-N 2 1 340.515 3.952 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000126747431 1122422394 /nfs/dbraw/zinc/42/23/94/1122422394.db2.gz KDDYQPMFKYQPEI-IBGZPJMESA-N 2 1 337.511 3.593 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262648999 1122612397 /nfs/dbraw/zinc/61/23/97/1122612397.db2.gz QENBALGSPBRUTD-AEFFLSMTSA-N 2 1 343.515 3.907 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556119214 1122826912 /nfs/dbraw/zinc/82/69/12/1122826912.db2.gz RWDIHLRQJKINHC-OXJNMPFZSA-N 2 1 346.421 3.769 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556119214 1122826919 /nfs/dbraw/zinc/82/69/19/1122826919.db2.gz RWDIHLRQJKINHC-OXJNMPFZSA-N 2 1 346.421 3.769 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000609806628 1123665946 /nfs/dbraw/zinc/66/59/46/1123665946.db2.gz QVUFRPPMYPEIDU-LJQANCHMSA-N 2 1 338.536 3.554 20 0 EHADMP Cc1ccc2ncc(CN3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2c1 ZINC000245566425 1123877223 /nfs/dbraw/zinc/87/72/23/1123877223.db2.gz SQMGYFQLIXBXNP-MOPGFXCFSA-N 2 1 340.515 3.729 20 0 EHADMP CC[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC1 ZINC000245712850 1123933923 /nfs/dbraw/zinc/93/39/23/1123933923.db2.gz NMVVNMFVENZOTI-MYGLTJDJSA-N 2 1 341.543 3.646 20 0 EHADMP CCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000245809671 1123955707 /nfs/dbraw/zinc/95/57/07/1123955707.db2.gz ZDQMLOQBMRWWKX-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000245809671 1123955712 /nfs/dbraw/zinc/95/57/12/1123955712.db2.gz ZDQMLOQBMRWWKX-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000245809671 1123955717 /nfs/dbraw/zinc/95/57/17/1123955717.db2.gz ZDQMLOQBMRWWKX-SJLPKXTDSA-N 2 1 334.504 3.646 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246875818 1124562150 /nfs/dbraw/zinc/56/21/50/1124562150.db2.gz DSQGPECHGMGOGR-KEYYUXOJSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246875818 1124562154 /nfs/dbraw/zinc/56/21/54/1124562154.db2.gz DSQGPECHGMGOGR-KEYYUXOJSA-N 2 1 339.321 3.843 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000247076594 1124585358 /nfs/dbraw/zinc/58/53/58/1124585358.db2.gz NIJGBBVHKUEODP-MELADBBJSA-N 2 1 340.895 3.881 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247110196 1124588228 /nfs/dbraw/zinc/58/82/28/1124588228.db2.gz ABMZFUBADZDTER-GDBMZVCRSA-N 2 1 342.405 3.500 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000247223378 1124595035 /nfs/dbraw/zinc/59/50/35/1124595035.db2.gz VZRQOZQAGSUZJQ-MGPUTAFESA-N 2 1 340.467 3.890 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000247973716 1124633578 /nfs/dbraw/zinc/63/35/78/1124633578.db2.gz HORUOIGAULMNHH-ZFWWWQNUSA-N 2 1 345.314 3.881 20 0 EHADMP Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248395656 1124656105 /nfs/dbraw/zinc/65/61/05/1124656105.db2.gz GKXIOCBTDYUAQS-YPAWHYETSA-N 2 1 335.495 3.780 20 0 EHADMP c1ccc(NC[C@H]2CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)nc1 ZINC000248894227 1124714325 /nfs/dbraw/zinc/71/43/25/1124714325.db2.gz ZNDCXDDCAKUIRH-QZTJIDSGSA-N 2 1 329.488 3.697 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449084782 1124943339 /nfs/dbraw/zinc/94/33/39/1124943339.db2.gz YSHHTQKCKMVFJF-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449084782 1124943343 /nfs/dbraw/zinc/94/33/43/1124943343.db2.gz YSHHTQKCKMVFJF-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000091284467 1124973535 /nfs/dbraw/zinc/97/35/35/1124973535.db2.gz RSPDYIWBVFLYCJ-FZKQIMNGSA-N 2 1 349.316 3.974 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638719 1125279413 /nfs/dbraw/zinc/27/94/13/1125279413.db2.gz LZMGXBFWPPNPTA-IUODEOHRSA-N 2 1 330.394 3.589 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638719 1125279420 /nfs/dbraw/zinc/27/94/20/1125279420.db2.gz LZMGXBFWPPNPTA-IUODEOHRSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638719 1125279426 /nfs/dbraw/zinc/27/94/26/1125279426.db2.gz LZMGXBFWPPNPTA-IUODEOHRSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000093638719 1125279430 /nfs/dbraw/zinc/27/94/30/1125279430.db2.gz LZMGXBFWPPNPTA-IUODEOHRSA-N 2 1 330.394 3.589 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000261905538 1125390002 /nfs/dbraw/zinc/39/00/02/1125390002.db2.gz PIMVIQZQTRBYGF-CWRNSKLLSA-N 2 1 329.875 3.756 20 0 EHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000262254622 1125416754 /nfs/dbraw/zinc/41/67/54/1125416754.db2.gz QKMZHXVADXIUEO-BHDDXSALSA-N 2 1 343.559 3.929 20 0 EHADMP CSCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000922182675 1129305092 /nfs/dbraw/zinc/30/50/92/1129305092.db2.gz LZNQGZBRZUXNMP-PMACEKPBSA-N 2 1 341.524 3.727 20 0 EHADMP CSCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000922182675 1129305095 /nfs/dbraw/zinc/30/50/95/1129305095.db2.gz LZNQGZBRZUXNMP-PMACEKPBSA-N 2 1 341.524 3.727 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C)c1F ZINC000765974974 1129352926 /nfs/dbraw/zinc/35/29/26/1129352926.db2.gz JUPMKEDVRRKBRF-APWZRJJASA-N 2 1 334.479 3.737 20 0 EHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396396 1129357348 /nfs/dbraw/zinc/35/73/48/1129357348.db2.gz CDMWRSPUGYWEDW-FUHWJXTLSA-N 2 1 333.520 3.586 20 0 EHADMP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765977571 1129368694 /nfs/dbraw/zinc/36/86/94/1129368694.db2.gz QQKBYRRQQFJECT-UTKZUKDTSA-N 2 1 330.516 3.933 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000466361647 1129402723 /nfs/dbraw/zinc/40/27/23/1129402723.db2.gz BSKWAGXTKIAJDW-CIAFKFPVSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C(C)C)cc1 ZINC000765980035 1129430542 /nfs/dbraw/zinc/43/05/42/1129430542.db2.gz YSPUHZTXRHPFKK-YADHBBJMSA-N 2 1 344.543 3.795 20 0 EHADMP Oc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657771466 1129480756 /nfs/dbraw/zinc/48/07/56/1129480756.db2.gz IZWYNHLIXOGRST-FQEVSTJZSA-N 2 1 336.479 3.784 20 0 EHADMP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C)[nH+]1 ZINC000359730541 1129483479 /nfs/dbraw/zinc/48/34/79/1129483479.db2.gz GOBUPHFXXSDCQL-NRFANRHFSA-N 2 1 336.483 3.586 20 0 EHADMP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C)[nH+]1 ZINC000359730541 1129483482 /nfs/dbraw/zinc/48/34/82/1129483482.db2.gz GOBUPHFXXSDCQL-NRFANRHFSA-N 2 1 336.483 3.586 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000922730116 1129646140 /nfs/dbraw/zinc/64/61/40/1129646140.db2.gz JDQGHKIZPXUFRJ-XLNGHYISSA-N 2 1 326.406 3.828 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000922730116 1129646141 /nfs/dbraw/zinc/64/61/41/1129646141.db2.gz JDQGHKIZPXUFRJ-XLNGHYISSA-N 2 1 326.406 3.828 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccnc(Cl)c2)[C@@H](C)C1 ZINC000766022615 1129817196 /nfs/dbraw/zinc/81/71/96/1129817196.db2.gz FUXPQVKONAIYSE-UXLLHSPISA-N 2 1 339.911 3.523 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccnc(Cl)c2)[C@@H](C)C1 ZINC000766022615 1129817201 /nfs/dbraw/zinc/81/72/01/1129817201.db2.gz FUXPQVKONAIYSE-UXLLHSPISA-N 2 1 339.911 3.523 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@@H]2CCC[C@H]21 ZINC000658070249 1130118763 /nfs/dbraw/zinc/11/87/63/1130118763.db2.gz WJBLPDZZDWZQBB-PBWTXFEYSA-N 2 1 347.934 3.629 20 0 EHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881223 1130500111 /nfs/dbraw/zinc/50/01/11/1130500111.db2.gz KURNYWXVTLVZQJ-FPOVZHCZSA-N 2 1 328.500 3.687 20 0 EHADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881809 1130500809 /nfs/dbraw/zinc/50/08/09/1130500809.db2.gz NPQAGNVCJQCRMR-RTWAWAEBSA-N 2 1 348.506 3.626 20 0 EHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881808 1130501200 /nfs/dbraw/zinc/50/12/00/1130501200.db2.gz NPQAGNVCJQCRMR-NHCUHLMSSA-N 2 1 348.506 3.626 20 0 EHADMP CC[NH+](CC)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152091 1130641645 /nfs/dbraw/zinc/64/16/45/1130641645.db2.gz NKGOWEAYHUVTOF-AYWYSENESA-N 2 1 329.532 3.502 20 0 EHADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(OC)cc1OC ZINC000348078273 1131142000 /nfs/dbraw/zinc/14/20/00/1131142000.db2.gz KEVGJPKSDNWRND-UHFFFAOYSA-N 2 1 331.460 3.511 20 0 EHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(OC)cc1OC ZINC000348078273 1131142003 /nfs/dbraw/zinc/14/20/03/1131142003.db2.gz KEVGJPKSDNWRND-UHFFFAOYSA-N 2 1 331.460 3.511 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cn2c3ccccc3n(C)c2=S)CC1 ZINC000738071291 1131459962 /nfs/dbraw/zinc/45/99/62/1131459962.db2.gz PADCQEBYEMYXPC-UHFFFAOYSA-N 2 1 346.544 3.721 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000179928450 1131602896 /nfs/dbraw/zinc/60/28/96/1131602896.db2.gz MQJVUKVXCOIQKI-VQIMIIECSA-N 2 1 326.488 3.949 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000179928450 1131602899 /nfs/dbraw/zinc/60/28/99/1131602899.db2.gz MQJVUKVXCOIQKI-VQIMIIECSA-N 2 1 326.488 3.949 20 0 EHADMP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172458414 1131750856 /nfs/dbraw/zinc/75/08/56/1131750856.db2.gz YPCWEVWKARKCDV-CTNGQTDRSA-N 2 1 332.532 3.939 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172751710 1131831335 /nfs/dbraw/zinc/83/13/35/1131831335.db2.gz KNRXYVIDKLMMSI-BRWVUGGUSA-N 2 1 326.525 3.725 20 0 EHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172780869 1131845130 /nfs/dbraw/zinc/84/51/30/1131845130.db2.gz UCJXRYIKKPCHOZ-CAMMJAKZSA-N 2 1 338.536 3.869 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172945458 1131915242 /nfs/dbraw/zinc/91/52/42/1131915242.db2.gz PZVBKKDYJPQIDQ-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945458 1131915247 /nfs/dbraw/zinc/91/52/47/1131915247.db2.gz PZVBKKDYJPQIDQ-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945458 1131915251 /nfs/dbraw/zinc/91/52/51/1131915251.db2.gz PZVBKKDYJPQIDQ-HBMCJLEFSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001173083143 1131961129 /nfs/dbraw/zinc/96/11/29/1131961129.db2.gz NKBQOIFDMWMLKX-HNNXBMFYSA-N 2 1 344.421 3.934 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001173112035 1131970954 /nfs/dbraw/zinc/97/09/54/1131970954.db2.gz PDANECYVYRPZBQ-AFMYVXGZSA-N 2 1 331.504 3.578 20 0 EHADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173123852 1131974379 /nfs/dbraw/zinc/97/43/79/1131974379.db2.gz AHVDSJCHDHTRNU-OAHLLOKOSA-N 2 1 347.915 3.604 20 0 EHADMP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173125457 1131974912 /nfs/dbraw/zinc/97/49/12/1131974912.db2.gz FEBGOXSMJXXWPI-HNNXBMFYSA-N 2 1 347.915 3.604 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846114 1131991260 /nfs/dbraw/zinc/99/12/60/1131991260.db2.gz BWXLNAAICKUSTJ-RBBKRZOGSA-N 2 1 344.543 3.925 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846114 1131991266 /nfs/dbraw/zinc/99/12/66/1131991266.db2.gz BWXLNAAICKUSTJ-RBBKRZOGSA-N 2 1 344.543 3.925 20 0 EHADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001173257098 1132020664 /nfs/dbraw/zinc/02/06/64/1132020664.db2.gz XIAUSNUQSGZGLC-NJDAHSKKSA-N 2 1 346.563 3.779 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C1 ZINC001173274195 1132025504 /nfs/dbraw/zinc/02/55/04/1132025504.db2.gz DBLZIZMATONCEQ-CEXWTWQISA-N 2 1 346.515 3.914 20 0 EHADMP COC(=O)CCCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001173457652 1132082576 /nfs/dbraw/zinc/08/25/76/1132082576.db2.gz NLOJHEKOMVLJPD-AZUAARDMSA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001173457652 1132082583 /nfs/dbraw/zinc/08/25/83/1132082583.db2.gz NLOJHEKOMVLJPD-AZUAARDMSA-N 2 1 346.515 3.562 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173457652 1132082590 /nfs/dbraw/zinc/08/25/90/1132082590.db2.gz NLOJHEKOMVLJPD-AZUAARDMSA-N 2 1 346.515 3.562 20 0 EHADMP C[C@@H]1C[C@H](NCc2nn(C)c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000379655405 1132436704 /nfs/dbraw/zinc/43/67/04/1132436704.db2.gz LPRSMOBANQCEBJ-IEBWSBKVSA-N 2 1 348.494 3.716 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C[C@H]3CCOc4ccccc43)C2)cc1 ZINC000385723697 1132502950 /nfs/dbraw/zinc/50/29/50/1132502950.db2.gz JNAUVNSOCCKFGU-WOJBJXKFSA-N 2 1 336.479 3.664 20 0 EHADMP Cc1cccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203402 1132585853 /nfs/dbraw/zinc/58/58/53/1132585853.db2.gz NAGKDHFSWWXABL-VXKWHMMOSA-N 2 1 340.511 3.775 20 0 EHADMP Cc1cccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203402 1132585859 /nfs/dbraw/zinc/58/58/59/1132585859.db2.gz NAGKDHFSWWXABL-VXKWHMMOSA-N 2 1 340.511 3.775 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001205995562 1132599673 /nfs/dbraw/zinc/59/96/73/1132599673.db2.gz PCLMSVBUFDQDIE-RYUDHWBXSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC001205996517 1132635915 /nfs/dbraw/zinc/63/59/15/1132635915.db2.gz WYRLRQKOKNQJMI-UKRRQHHQSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205997069 1132638013 /nfs/dbraw/zinc/63/80/13/1132638013.db2.gz ZKMLWGOHZOSAKG-RYUDHWBXSA-N 2 1 345.712 3.909 20 0 EHADMP C[C@H]([NH2+]C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064945 1132649788 /nfs/dbraw/zinc/64/97/88/1132649788.db2.gz CQABOKGHXZJDFV-PGRDOPGGSA-N 2 1 348.494 3.976 20 0 EHADMP C[C@H]([NH2+]C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064945 1132649794 /nfs/dbraw/zinc/64/97/94/1132649794.db2.gz CQABOKGHXZJDFV-PGRDOPGGSA-N 2 1 348.494 3.976 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)C2 ZINC001169096459 1132653142 /nfs/dbraw/zinc/65/31/42/1132653142.db2.gz WZHAOTDLFYBFHZ-NNZMDNLPSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169096906 1132653537 /nfs/dbraw/zinc/65/35/37/1132653537.db2.gz ZPWMVQROFUPZFV-BCDXTJNWSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169096906 1132653540 /nfs/dbraw/zinc/65/35/40/1132653540.db2.gz ZPWMVQROFUPZFV-BCDXTJNWSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(Br)ccc31)C2 ZINC001169107470 1132669367 /nfs/dbraw/zinc/66/93/67/1132669367.db2.gz HNVWSAABRHDNTJ-JYYAWHABSA-N 2 1 335.289 3.651 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cccc(Br)c1)C2 ZINC001169108101 1132670303 /nfs/dbraw/zinc/67/03/03/1132670303.db2.gz OQLNGJKZQLFPAZ-MUJYYYPQSA-N 2 1 337.305 3.899 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(Br)ccc3C1)C2 ZINC001169107493 1132670417 /nfs/dbraw/zinc/67/04/17/1132670417.db2.gz HZWYCRABNSUZJW-ZJPYXAASSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)C2 ZINC001169110187 1132671323 /nfs/dbraw/zinc/67/13/23/1132671323.db2.gz LJRRHVYSCGDXMY-BIRZXAFVSA-N 2 1 335.495 3.643 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169142751 1132674032 /nfs/dbraw/zinc/67/40/32/1132674032.db2.gz VESVRCOCHYQVHQ-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169142751 1132674034 /nfs/dbraw/zinc/67/40/34/1132674034.db2.gz VESVRCOCHYQVHQ-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142751 1132674035 /nfs/dbraw/zinc/67/40/35/1132674035.db2.gz VESVRCOCHYQVHQ-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004042 1132687645 /nfs/dbraw/zinc/68/76/45/1132687645.db2.gz PEELZLCRBYTXHZ-CMPLNLGQSA-N 2 1 336.348 3.790 20 0 EHADMP Cc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206004498 1132690863 /nfs/dbraw/zinc/69/08/63/1132690863.db2.gz SQMGWJQVXJLYKH-SMDDNHRTSA-N 2 1 343.284 3.703 20 0 EHADMP Cc1sc2nc(C[NH+](C)C)nc(NC(C)(C)CC[NH+](C)C)c2c1C ZINC001169715959 1132833455 /nfs/dbraw/zinc/83/34/55/1132833455.db2.gz LTRJUGOZUMQQAI-UHFFFAOYSA-N 2 1 349.548 3.512 20 0 EHADMP Cn1nccc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001176517444 1132954848 /nfs/dbraw/zinc/95/48/48/1132954848.db2.gz XHRYSPRUPAHDCP-OAQYLSRUSA-N 2 1 338.499 3.743 20 0 EHADMP C[NH+]1CCN([C@H](C[NH2+]CC2CCCCCC2)c2cccs2)CC1 ZINC001177104399 1133031171 /nfs/dbraw/zinc/03/11/71/1133031171.db2.gz RCFWPVWWCQMIRU-GOSISDBHSA-N 2 1 335.561 3.597 20 0 EHADMP CCC1CCC([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001177222385 1133042060 /nfs/dbraw/zinc/04/20/60/1133042060.db2.gz ITZMJRLOUJMXMY-KITAHSCOSA-N 2 1 343.559 3.924 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873290 1133065135 /nfs/dbraw/zinc/06/51/35/1133065135.db2.gz BQXUDEVHPHLUAL-RDJZCZTQSA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873290 1133065139 /nfs/dbraw/zinc/06/51/39/1133065139.db2.gz BQXUDEVHPHLUAL-RDJZCZTQSA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873290 1133065144 /nfs/dbraw/zinc/06/51/44/1133065144.db2.gz BQXUDEVHPHLUAL-RDJZCZTQSA-N 2 1 326.406 3.979 20 0 EHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206304777 1133072014 /nfs/dbraw/zinc/07/20/14/1133072014.db2.gz PQHWMDIKJNRGNZ-INIZCTEOSA-N 2 1 331.287 3.953 20 0 EHADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1OCc1ccccc1 ZINC001179266472 1133239859 /nfs/dbraw/zinc/23/98/59/1133239859.db2.gz NNPHVLATAODHEW-KRWDZBQOSA-N 2 1 342.483 3.704 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cc(Cl)c1OC ZINC000069160419 1133249872 /nfs/dbraw/zinc/24/98/72/1133249872.db2.gz NKUQSMQPGRMGNJ-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc(Cl)c1OC ZINC000069160419 1133249879 /nfs/dbraw/zinc/24/98/79/1133249879.db2.gz NKUQSMQPGRMGNJ-CQSZACIVSA-N 2 1 340.895 3.569 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005137 1133261627 /nfs/dbraw/zinc/26/16/27/1133261627.db2.gz NQFKNBIBEWFKDW-DLBZAZTESA-N 2 1 337.552 3.736 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005137 1133261631 /nfs/dbraw/zinc/26/16/31/1133261631.db2.gz NQFKNBIBEWFKDW-DLBZAZTESA-N 2 1 337.552 3.736 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005137 1133261636 /nfs/dbraw/zinc/26/16/36/1133261636.db2.gz NQFKNBIBEWFKDW-DLBZAZTESA-N 2 1 337.552 3.736 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000769485274 1133289594 /nfs/dbraw/zinc/28/95/94/1133289594.db2.gz ZYKJZYFKIXMPIB-OAQYLSRUSA-N 2 1 326.484 3.612 20 0 EHADMP FC(F)C1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000769553358 1133313451 /nfs/dbraw/zinc/31/34/51/1133313451.db2.gz HJHSCKINPZLOCD-DYKAAJRGSA-N 2 1 334.454 3.920 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000769683097 1133324442 /nfs/dbraw/zinc/32/44/42/1133324442.db2.gz VKLBRFOWLXRBIB-IXDOHACOSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000769686138 1133325038 /nfs/dbraw/zinc/32/50/38/1133325038.db2.gz VEYHVENLFFTDNY-LTIDMASMSA-N 2 1 341.540 3.531 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000769686138 1133325041 /nfs/dbraw/zinc/32/50/41/1133325041.db2.gz VEYHVENLFFTDNY-LTIDMASMSA-N 2 1 341.540 3.531 20 0 EHADMP Cn1cccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1cccs1 ZINC001203260653 1133354616 /nfs/dbraw/zinc/35/46/16/1133354616.db2.gz ZPPXREJJFBQPIK-LSTHTHJFSA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1cccs1 ZINC001203260653 1133354619 /nfs/dbraw/zinc/35/46/19/1133354619.db2.gz ZPPXREJJFBQPIK-LSTHTHJFSA-N 2 1 343.540 3.819 20 0 EHADMP Cn1cccc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1cccs1 ZINC001203260653 1133354622 /nfs/dbraw/zinc/35/46/22/1133354622.db2.gz ZPPXREJJFBQPIK-LSTHTHJFSA-N 2 1 343.540 3.819 20 0 EHADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001181427903 1133485474 /nfs/dbraw/zinc/48/54/74/1133485474.db2.gz QLKJZIHMNCBZCL-FPOVZHCZSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN(Cc2ccccc2)C1 ZINC001181427903 1133485478 /nfs/dbraw/zinc/48/54/78/1133485478.db2.gz QLKJZIHMNCBZCL-FPOVZHCZSA-N 2 1 343.559 3.609 20 0 EHADMP Cc1ccccc1-n1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC001181484967 1133497027 /nfs/dbraw/zinc/49/70/27/1133497027.db2.gz GSMYDVIAJCHGMZ-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP Cc1ccccc1-n1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC001181484967 1133497029 /nfs/dbraw/zinc/49/70/29/1133497029.db2.gz GSMYDVIAJCHGMZ-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)O ZINC001181754339 1133521945 /nfs/dbraw/zinc/52/19/45/1133521945.db2.gz ZPXPRKYCSOIYRE-SLYNCCJLSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000774264459 1133649469 /nfs/dbraw/zinc/64/94/69/1133649469.db2.gz DHTLDPLRRDGKGV-PAMCTJKJSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000774264459 1133649471 /nfs/dbraw/zinc/64/94/71/1133649471.db2.gz DHTLDPLRRDGKGV-PAMCTJKJSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000774264459 1133649473 /nfs/dbraw/zinc/64/94/73/1133649473.db2.gz DHTLDPLRRDGKGV-PAMCTJKJSA-N 3 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@@H+]1Cc1ccccc1 ZINC000774264459 1133649477 /nfs/dbraw/zinc/64/94/77/1133649477.db2.gz DHTLDPLRRDGKGV-PAMCTJKJSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[N@H+]1Cc1ccccc1 ZINC000774264459 1133649479 /nfs/dbraw/zinc/64/94/79/1133649479.db2.gz DHTLDPLRRDGKGV-PAMCTJKJSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2Br)C1 ZINC001206541466 1133733573 /nfs/dbraw/zinc/73/35/73/1133733573.db2.gz HTAWCGUPSYSCJJ-KRWDZBQOSA-N 2 1 339.321 3.833 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccnn1-c1ccc(F)cc1 ZINC001183510743 1133820704 /nfs/dbraw/zinc/82/07/04/1133820704.db2.gz GNFISGHSNUMFIM-UHFFFAOYSA-N 2 1 344.478 3.709 20 0 EHADMP CCc1nc(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC001186610703 1134236528 /nfs/dbraw/zinc/23/65/28/1134236528.db2.gz AHAAHNOMQUOLIE-SFHVURJKSA-N 2 1 342.487 3.849 20 0 EHADMP c1[nH+]c(C2CC[NH+](Cc3ccc4c(c3)COC4)CC2)n2c1CCCC2 ZINC000789353430 1134254366 /nfs/dbraw/zinc/25/43/66/1134254366.db2.gz UDPRLUHDPAKNBA-UHFFFAOYSA-N 2 1 337.467 3.629 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C1 ZINC001170139655 1134435193 /nfs/dbraw/zinc/43/51/93/1134435193.db2.gz VMCYNGKDDDWZCD-NRSPTQNISA-N 2 1 342.527 3.931 20 0 EHADMP CC[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC001170217996 1134709396 /nfs/dbraw/zinc/70/93/96/1134709396.db2.gz DDUCZZDMZAWLQL-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391307 1134709608 /nfs/dbraw/zinc/70/96/08/1134709608.db2.gz CWJSORPVROFDML-ABSDTBQOSA-N 3 1 347.547 3.670 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000775391307 1134709611 /nfs/dbraw/zinc/70/96/11/1134709611.db2.gz CWJSORPVROFDML-ABSDTBQOSA-N 3 1 347.547 3.670 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366526 1134857968 /nfs/dbraw/zinc/85/79/68/1134857968.db2.gz GVOIOKSNQYUFIS-JOCHJYFZSA-N 2 1 343.559 3.836 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366526 1134857975 /nfs/dbraw/zinc/85/79/75/1134857975.db2.gz GVOIOKSNQYUFIS-JOCHJYFZSA-N 3 1 343.559 3.836 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366526 1134857981 /nfs/dbraw/zinc/85/79/81/1134857981.db2.gz GVOIOKSNQYUFIS-JOCHJYFZSA-N 3 1 343.559 3.836 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366526 1134857987 /nfs/dbraw/zinc/85/79/87/1134857987.db2.gz GVOIOKSNQYUFIS-JOCHJYFZSA-N 3 1 343.559 3.836 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001191366526 1134857988 /nfs/dbraw/zinc/85/79/88/1134857988.db2.gz GVOIOKSNQYUFIS-JOCHJYFZSA-N 3 1 343.559 3.836 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001191453232 1134861080 /nfs/dbraw/zinc/86/10/80/1134861080.db2.gz DORLHLCXOBQFCD-WOJBJXKFSA-N 2 1 330.516 3.539 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000793535955 1134950819 /nfs/dbraw/zinc/95/08/19/1134950819.db2.gz UKTDUNHFMFNPTN-NUJGCVRESA-N 2 1 340.515 3.536 20 0 EHADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205579178 1134968414 /nfs/dbraw/zinc/96/84/14/1134968414.db2.gz KZNFDMSOEDYKKU-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651258 1135200205 /nfs/dbraw/zinc/20/02/05/1135200205.db2.gz BTEOHBBGABFYQX-JSGCOSHPSA-N 2 1 325.294 3.564 20 0 EHADMP C=Cc1cccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)c1 ZINC001170492844 1135357826 /nfs/dbraw/zinc/35/78/26/1135357826.db2.gz DRFFYDUWDQHLGK-IPJUCJBFSA-N 2 1 349.478 3.701 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC1(Cl)Cl ZINC000775692113 1135531848 /nfs/dbraw/zinc/53/18/48/1135531848.db2.gz YDGTWSZUMQOFBC-FVQBIDKESA-N 2 1 327.299 3.680 20 0 EHADMP CSCC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001196546237 1135579358 /nfs/dbraw/zinc/57/93/58/1135579358.db2.gz XUJMLQRUXBSFMX-IBGZPJMESA-N 2 1 332.557 3.972 20 0 EHADMP CCCC[N@@H+](CCOC[C@@H]1CCCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545958 1135579461 /nfs/dbraw/zinc/57/94/61/1135579461.db2.gz VYHJFWRDFMXZAJ-SFHVURJKSA-N 2 1 340.552 3.593 20 0 EHADMP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000808170107 1135629522 /nfs/dbraw/zinc/62/95/22/1135629522.db2.gz BPEVZYNZJNJFBI-RXVVDRJESA-N 2 1 349.563 3.569 20 0 EHADMP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000808170107 1135629524 /nfs/dbraw/zinc/62/95/24/1135629524.db2.gz BPEVZYNZJNJFBI-RXVVDRJESA-N 2 1 349.563 3.569 20 0 EHADMP COc1ccccc1CCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194545 1135657563 /nfs/dbraw/zinc/65/75/63/1135657563.db2.gz QMGYNWHKGINOAD-UHFFFAOYSA-N 2 1 332.532 3.928 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000809738719 1135882935 /nfs/dbraw/zinc/88/29/35/1135882935.db2.gz GNUNYLGWEYYVBZ-UHFFFAOYSA-N 2 1 342.874 3.681 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000809738719 1135882938 /nfs/dbraw/zinc/88/29/38/1135882938.db2.gz GNUNYLGWEYYVBZ-UHFFFAOYSA-N 2 1 342.874 3.681 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001199328389 1135898436 /nfs/dbraw/zinc/89/84/36/1135898436.db2.gz ADCFQJMXJFJZEG-IZZBFERCSA-N 2 1 336.564 3.929 20 0 EHADMP CCCCCC[C@@H](CC)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001170591356 1135904392 /nfs/dbraw/zinc/90/43/92/1135904392.db2.gz VKLGSYMKYOJOAZ-ZACQAIPSSA-N 2 1 341.540 3.662 20 0 EHADMP CCCCn1nc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1Cl ZINC000105443284 1135947890 /nfs/dbraw/zinc/94/78/90/1135947890.db2.gz NJYQROLDFGQSMF-ZDUSSCGKSA-N 2 1 337.899 3.576 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001200921521 1135965830 /nfs/dbraw/zinc/96/58/30/1135965830.db2.gz IDELVNHLDHIKLM-UHFFFAOYSA-N 2 1 346.494 3.918 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001201411720 1136016206 /nfs/dbraw/zinc/01/62/06/1136016206.db2.gz RUBNFQVMTAKBMR-MOPGFXCFSA-N 2 1 344.499 3.691 20 0 EHADMP CC(C)CC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201620101 1136048151 /nfs/dbraw/zinc/04/81/51/1136048151.db2.gz GQJUAFWWNQFNAM-SFHVURJKSA-N 2 1 337.458 3.661 20 0 EHADMP CC(C)CC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201620101 1136048153 /nfs/dbraw/zinc/04/81/53/1136048153.db2.gz GQJUAFWWNQFNAM-SFHVURJKSA-N 2 1 337.458 3.661 20 0 EHADMP CC(C)CC[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201620101 1136048158 /nfs/dbraw/zinc/04/81/58/1136048158.db2.gz GQJUAFWWNQFNAM-SFHVURJKSA-N 2 1 337.458 3.661 20 0 EHADMP CC(C)CC[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201620101 1136048162 /nfs/dbraw/zinc/04/81/62/1136048162.db2.gz GQJUAFWWNQFNAM-SFHVURJKSA-N 2 1 337.458 3.661 20 0 EHADMP CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201750023 1136058339 /nfs/dbraw/zinc/05/83/39/1136058339.db2.gz DUCHOCUSDJVDFQ-AABGKKOBSA-N 2 1 332.536 3.637 20 0 EHADMP CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201750023 1136058341 /nfs/dbraw/zinc/05/83/41/1136058341.db2.gz DUCHOCUSDJVDFQ-AABGKKOBSA-N 2 1 332.536 3.637 20 0 EHADMP CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201750023 1136058345 /nfs/dbraw/zinc/05/83/45/1136058345.db2.gz DUCHOCUSDJVDFQ-AABGKKOBSA-N 2 1 332.536 3.637 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202167002 1136104350 /nfs/dbraw/zinc/10/43/50/1136104350.db2.gz IVVDKROECAYSOT-CEWLAPEOSA-N 2 1 327.516 3.804 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202167002 1136104352 /nfs/dbraw/zinc/10/43/52/1136104352.db2.gz IVVDKROECAYSOT-CEWLAPEOSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001202167002 1136104355 /nfs/dbraw/zinc/10/43/55/1136104355.db2.gz IVVDKROECAYSOT-CEWLAPEOSA-N 2 1 327.516 3.804 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001202167002 1136104358 /nfs/dbraw/zinc/10/43/58/1136104358.db2.gz IVVDKROECAYSOT-CEWLAPEOSA-N 2 1 327.516 3.804 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+]CCc3c[nH+]cn3C)CC2)cc1 ZINC000776263570 1136113987 /nfs/dbraw/zinc/11/39/87/1136113987.db2.gz FKVFXBQCXKQABI-UHFFFAOYSA-N 2 1 341.499 3.506 20 0 EHADMP CC(C)(CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC001202241677 1136119040 /nfs/dbraw/zinc/11/90/40/1136119040.db2.gz GXUVHHITMNKMSK-FQEVSTJZSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC001202241677 1136119041 /nfs/dbraw/zinc/11/90/41/1136119041.db2.gz GXUVHHITMNKMSK-FQEVSTJZSA-N 2 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)CC1 ZINC001137049137 1136165356 /nfs/dbraw/zinc/16/53/56/1136165356.db2.gz ZZKXEOQDKSYXEA-UHFFFAOYSA-N 2 1 340.515 3.897 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000850031059 1136200452 /nfs/dbraw/zinc/20/04/52/1136200452.db2.gz PMBFISUFJQJRJL-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000812844939 1136259608 /nfs/dbraw/zinc/25/96/08/1136259608.db2.gz NCFMCMOJPCFWIH-YLJYHZDGSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000812844939 1136259610 /nfs/dbraw/zinc/25/96/10/1136259610.db2.gz NCFMCMOJPCFWIH-YLJYHZDGSA-N 2 1 330.516 3.834 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000850483011 1136267336 /nfs/dbraw/zinc/26/73/36/1136267336.db2.gz NCOAHXMXWFSESX-MAUKXSAKSA-N 2 1 347.503 3.854 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850529936 1136279248 /nfs/dbraw/zinc/27/92/48/1136279248.db2.gz UPGGNFXQGVNHME-PSOYPTMXSA-N 2 1 328.500 3.798 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000814172945 1136410190 /nfs/dbraw/zinc/41/01/90/1136410190.db2.gz FJIKDTZJOGRPPC-OTYNDTSQSA-N 2 1 326.484 3.854 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000851880864 1136415550 /nfs/dbraw/zinc/41/55/50/1136415550.db2.gz DKNCUSIXIIUFBY-VQTJNVASSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761431 1136484442 /nfs/dbraw/zinc/48/44/42/1136484442.db2.gz VWBPDSKLQOQLCQ-PBHICJAKSA-N 2 1 344.421 3.809 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761431 1136484444 /nfs/dbraw/zinc/48/44/44/1136484444.db2.gz VWBPDSKLQOQLCQ-PBHICJAKSA-N 2 1 344.421 3.809 20 0 EHADMP Cc1ccc(-c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)o2)cc1 ZINC000111386147 1136540219 /nfs/dbraw/zinc/54/02/19/1136540219.db2.gz QYMPYPZBKYZSFJ-IBGZPJMESA-N 2 1 342.483 3.582 20 0 EHADMP CC(C)=CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605248 1136799079 /nfs/dbraw/zinc/79/90/79/1136799079.db2.gz ACSSJZBNMFLWOM-HXUWFJFHSA-N 2 1 331.504 3.731 20 0 EHADMP CC(C)=CCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605248 1136799080 /nfs/dbraw/zinc/79/90/80/1136799080.db2.gz ACSSJZBNMFLWOM-HXUWFJFHSA-N 2 1 331.504 3.731 20 0 EHADMP CC(C)=CCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605248 1136799081 /nfs/dbraw/zinc/79/90/81/1136799081.db2.gz ACSSJZBNMFLWOM-HXUWFJFHSA-N 2 1 331.504 3.731 20 0 EHADMP ClC1(Cl)C[C@@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000856805336 1136813006 /nfs/dbraw/zinc/81/30/06/1136813006.db2.gz NGJPZTGYQMQCRU-INIZCTEOSA-N 2 1 341.326 3.867 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000429538050 1136820532 /nfs/dbraw/zinc/82/05/32/1136820532.db2.gz OJNBOJBMTMHTLE-CQSZACIVSA-N 2 1 330.394 3.500 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000429538050 1136820535 /nfs/dbraw/zinc/82/05/35/1136820535.db2.gz OJNBOJBMTMHTLE-CQSZACIVSA-N 2 1 330.394 3.500 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000817947129 1136850558 /nfs/dbraw/zinc/85/05/58/1136850558.db2.gz KXNLUZZUONXAMC-YQVWRLOYSA-N 2 1 347.547 3.576 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000818987686 1136897534 /nfs/dbraw/zinc/89/75/34/1136897534.db2.gz HKKHRRWCYCUHFL-PXNSSMCTSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000818987686 1136897537 /nfs/dbraw/zinc/89/75/37/1136897537.db2.gz HKKHRRWCYCUHFL-PXNSSMCTSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000819100818 1136908740 /nfs/dbraw/zinc/90/87/40/1136908740.db2.gz IXCOTFOXFXOAEQ-NLWGTHIKSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000819100818 1136908743 /nfs/dbraw/zinc/90/87/43/1136908743.db2.gz IXCOTFOXFXOAEQ-NLWGTHIKSA-N 2 1 344.524 3.763 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857847769 1136912110 /nfs/dbraw/zinc/91/21/10/1136912110.db2.gz XUTIUONMXPWFDZ-OXQOHEQNSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857847769 1136912120 /nfs/dbraw/zinc/91/21/20/1136912120.db2.gz XUTIUONMXPWFDZ-OXQOHEQNSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857847769 1136912123 /nfs/dbraw/zinc/91/21/23/1136912123.db2.gz XUTIUONMXPWFDZ-OXQOHEQNSA-N 2 1 338.499 3.951 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000857846495 1136912219 /nfs/dbraw/zinc/91/22/19/1136912219.db2.gz MMLLEYJFAAARKJ-FQEVSTJZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000858166147 1136945804 /nfs/dbraw/zinc/94/58/04/1136945804.db2.gz AZHINBRIJFMVKA-AEFFLSMTSA-N 2 1 343.515 3.727 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccnc(Br)c2)cc1 ZINC000859212108 1137007931 /nfs/dbraw/zinc/00/79/31/1137007931.db2.gz FOASWJXDELLGTK-UHFFFAOYSA-N 2 1 348.288 3.538 20 0 EHADMP COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000859212286 1137008053 /nfs/dbraw/zinc/00/80/53/1137008053.db2.gz MGPFEZRKPDHDPB-HNNXBMFYSA-N 2 1 344.455 3.629 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170968023 1137030405 /nfs/dbraw/zinc/03/04/05/1137030405.db2.gz AWUMBEBLYNRJJY-GOSISDBHSA-N 2 1 342.433 3.772 20 0 EHADMP CC[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCO1 ZINC000823555251 1137105738 /nfs/dbraw/zinc/10/57/38/1137105738.db2.gz RRIMHVVLEMHYBR-FPOVZHCZSA-N 2 1 345.531 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000824428241 1137137452 /nfs/dbraw/zinc/13/74/52/1137137452.db2.gz QEVZQTZNFOTIGS-ISLCASHISA-N 2 1 328.500 3.728 20 0 EHADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000824836890 1137155815 /nfs/dbraw/zinc/15/58/15/1137155815.db2.gz QOUNRDNQZVYIBY-NRFANRHFSA-N 2 1 347.466 3.670 20 0 EHADMP COC1CC[NH+](C2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)CC1 ZINC001136975711 1137159826 /nfs/dbraw/zinc/15/98/26/1137159826.db2.gz OUHFPXDJQOGFOV-UHFFFAOYSA-N 2 1 341.499 3.552 20 0 EHADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000863543704 1137191548 /nfs/dbraw/zinc/19/15/48/1137191548.db2.gz WFHZOMXWNQRFRF-RKDVLTNBSA-N 2 1 330.516 3.670 20 0 EHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(O)c4C)C[C@@H]3C2)cc1 ZINC001144113192 1137239595 /nfs/dbraw/zinc/23/95/95/1137239595.db2.gz YVCCWBADJWFVCC-SFTDATJTSA-N 2 1 336.479 3.573 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc12 ZINC000865463394 1137286106 /nfs/dbraw/zinc/28/61/06/1137286106.db2.gz YKXIFXSEWUIVLX-GOSISDBHSA-N 2 1 342.458 3.712 20 0 EHADMP CN1CCC([N@@H+](Cc2cccnc2C(F)(F)F)C2CCCC2)CC1 ZINC001144560585 1137309939 /nfs/dbraw/zinc/30/99/39/1137309939.db2.gz CJOLYNMRTBRKGM-UHFFFAOYSA-N 2 1 341.421 3.939 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000865783927 1137311603 /nfs/dbraw/zinc/31/16/03/1137311603.db2.gz WGDUGNMOQJIVJY-MNAPGUCWSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000865783927 1137311605 /nfs/dbraw/zinc/31/16/05/1137311605.db2.gz WGDUGNMOQJIVJY-MNAPGUCWSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866528351 1137361496 /nfs/dbraw/zinc/36/14/96/1137361496.db2.gz XKXLCXTWLFCZNF-HMXCVIKNSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000866705255 1137374763 /nfs/dbraw/zinc/37/47/63/1137374763.db2.gz WEQKTSABDUTAOG-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP CCC(CC)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)OC ZINC000348133840 1137444823 /nfs/dbraw/zinc/44/48/23/1137444823.db2.gz LVUDTYVQHMFARV-HNNXBMFYSA-N 2 1 343.471 3.811 20 0 EHADMP Fc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001171391422 1137469039 /nfs/dbraw/zinc/46/90/39/1137469039.db2.gz CPBMDYSNPOGKLP-FQEVSTJZSA-N 2 1 338.470 3.937 20 0 EHADMP Fc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001171439147 1137485643 /nfs/dbraw/zinc/48/56/43/1137485643.db2.gz XLTFSMQDVBNFSV-SFHVURJKSA-N 2 1 334.454 3.581 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681433 1137488560 /nfs/dbraw/zinc/48/85/60/1137488560.db2.gz WZDGVIFKVTUAAU-HBMCJLEFSA-N 2 1 335.495 3.575 20 0 EHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccn1 ZINC000716710583 1137488606 /nfs/dbraw/zinc/48/86/06/1137488606.db2.gz FJUBYKLKYBLNRB-PMXSJFBMSA-N 2 1 335.495 3.828 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716713771 1137488644 /nfs/dbraw/zinc/48/86/44/1137488644.db2.gz QLRXWCVEDMVROO-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716713771 1137488646 /nfs/dbraw/zinc/48/86/46/1137488646.db2.gz QLRXWCVEDMVROO-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716713771 1137488647 /nfs/dbraw/zinc/48/86/47/1137488647.db2.gz QLRXWCVEDMVROO-BQJUDKOJSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(-c3ncccn3)cc2)CC1(C)C ZINC001171626916 1137501446 /nfs/dbraw/zinc/50/14/46/1137501446.db2.gz HBCJXZWSTKGUHO-UHFFFAOYSA-N 2 1 338.499 3.885 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC001171642739 1137505123 /nfs/dbraw/zinc/50/51/23/1137505123.db2.gz LYKQNBXHQMZPKQ-IBGZPJMESA-N 2 1 330.516 3.581 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC001171642739 1137505124 /nfs/dbraw/zinc/50/51/24/1137505124.db2.gz LYKQNBXHQMZPKQ-IBGZPJMESA-N 2 1 330.516 3.581 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870867725 1137513702 /nfs/dbraw/zinc/51/37/02/1137513702.db2.gz KAFVTRAWNHQCRF-SZMVWBNQSA-N 2 1 329.488 3.517 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171965427 1137520302 /nfs/dbraw/zinc/52/03/02/1137520302.db2.gz PUGMFEZLAQNYAK-HXUWFJFHSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1C ZINC001171972582 1137523984 /nfs/dbraw/zinc/52/39/84/1137523984.db2.gz RKDUKADUXIADGG-LJQANCHMSA-N 2 1 325.500 3.866 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CC2(F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171972870 1137524090 /nfs/dbraw/zinc/52/40/90/1137524090.db2.gz TUIJKNFILRLBQT-SFHVURJKSA-N 2 1 334.479 3.538 20 0 EHADMP C[N@H+]1CCC[C@@H]1CCN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171974836 1137524443 /nfs/dbraw/zinc/52/44/43/1137524443.db2.gz JGWCQSADZHSNOC-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974836 1137524444 /nfs/dbraw/zinc/52/44/44/1137524444.db2.gz JGWCQSADZHSNOC-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974836 1137524446 /nfs/dbraw/zinc/52/44/46/1137524446.db2.gz JGWCQSADZHSNOC-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976361 1137525026 /nfs/dbraw/zinc/52/50/26/1137525026.db2.gz KJVFVAIHMMQZPC-SLYNCCJLSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976361 1137525028 /nfs/dbraw/zinc/52/50/28/1137525028.db2.gz KJVFVAIHMMQZPC-SLYNCCJLSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976361 1137525030 /nfs/dbraw/zinc/52/50/30/1137525030.db2.gz KJVFVAIHMMQZPC-SLYNCCJLSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@]1(C)O ZINC001171976361 1137525032 /nfs/dbraw/zinc/52/50/32/1137525032.db2.gz KJVFVAIHMMQZPC-SLYNCCJLSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977107 1137525059 /nfs/dbraw/zinc/52/50/59/1137525059.db2.gz XHNOSNDBOXGJPD-WOJBJXKFSA-N 2 1 346.515 3.562 20 0 EHADMP COC[C@H]1CCCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976397 1137525072 /nfs/dbraw/zinc/52/50/72/1137525072.db2.gz KUGMBDPVGOTZOK-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976397 1137525074 /nfs/dbraw/zinc/52/50/74/1137525074.db2.gz KUGMBDPVGOTZOK-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@H]1CCCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976397 1137525076 /nfs/dbraw/zinc/52/50/76/1137525076.db2.gz KUGMBDPVGOTZOK-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP COC[C@H]1CCCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976397 1137525078 /nfs/dbraw/zinc/52/50/78/1137525078.db2.gz KUGMBDPVGOTZOK-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CC[C@H]3CCCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979188 1137525685 /nfs/dbraw/zinc/52/56/85/1137525685.db2.gz CUEIBEKDYPUFGL-QHAWAJNXSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979188 1137525686 /nfs/dbraw/zinc/52/56/86/1137525686.db2.gz CUEIBEKDYPUFGL-QHAWAJNXSA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979188 1137525688 /nfs/dbraw/zinc/52/56/88/1137525688.db2.gz CUEIBEKDYPUFGL-QHAWAJNXSA-N 2 1 342.527 3.931 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978205 1137525890 /nfs/dbraw/zinc/52/58/90/1137525890.db2.gz XCNKQNRQLYXBNA-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978205 1137525891 /nfs/dbraw/zinc/52/58/91/1137525891.db2.gz XCNKQNRQLYXBNA-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978205 1137525892 /nfs/dbraw/zinc/52/58/92/1137525892.db2.gz XCNKQNRQLYXBNA-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H]1CO ZINC001171978205 1137525893 /nfs/dbraw/zinc/52/58/93/1137525893.db2.gz XCNKQNRQLYXBNA-RLLQIKCJSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@H](N2CC[NH+]3CCCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979245 1137525938 /nfs/dbraw/zinc/52/59/38/1137525938.db2.gz ABSGEICKDZTJNM-NHCUHLMSSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979245 1137525939 /nfs/dbraw/zinc/52/59/39/1137525939.db2.gz ABSGEICKDZTJNM-NHCUHLMSSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@H](N2CC[N@H+]3CCCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979245 1137525940 /nfs/dbraw/zinc/52/59/40/1137525940.db2.gz ABSGEICKDZTJNM-NHCUHLMSSA-N 2 1 341.543 3.600 20 0 EHADMP C[N@H+]1CCC[C@@](C)(N[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980908 1137526874 /nfs/dbraw/zinc/52/68/74/1137526874.db2.gz YEPGNTPDXLHMDZ-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980908 1137526876 /nfs/dbraw/zinc/52/68/76/1137526876.db2.gz YEPGNTPDXLHMDZ-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980908 1137526877 /nfs/dbraw/zinc/52/68/77/1137526877.db2.gz YEPGNTPDXLHMDZ-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980908 1137526879 /nfs/dbraw/zinc/52/68/79/1137526879.db2.gz YEPGNTPDXLHMDZ-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980908 1137526880 /nfs/dbraw/zinc/52/68/80/1137526880.db2.gz YEPGNTPDXLHMDZ-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)O[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983787 1137527249 /nfs/dbraw/zinc/52/72/49/1137527249.db2.gz AMSDDMREWCUEDR-WOJBJXKFSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983787 1137527251 /nfs/dbraw/zinc/52/72/51/1137527251.db2.gz AMSDDMREWCUEDR-WOJBJXKFSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)O[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983787 1137527253 /nfs/dbraw/zinc/52/72/53/1137527253.db2.gz AMSDDMREWCUEDR-WOJBJXKFSA-N 2 1 330.516 3.929 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@]3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987840 1137528195 /nfs/dbraw/zinc/52/81/95/1137528195.db2.gz KMKXBBFSKXIZGI-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987840 1137528196 /nfs/dbraw/zinc/52/81/96/1137528196.db2.gz KMKXBBFSKXIZGI-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@]3(C2)CCCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987840 1137528198 /nfs/dbraw/zinc/52/81/98/1137528198.db2.gz KMKXBBFSKXIZGI-IRLDBZIGSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076399 1137530278 /nfs/dbraw/zinc/53/02/78/1137530278.db2.gz IRFNXOPGZWEQIR-MXEMCNAFSA-N 2 1 330.516 3.569 20 0 EHADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076417 1137530450 /nfs/dbraw/zinc/53/04/50/1137530450.db2.gz JBUSEOGNVKWVKI-RTOMLYRKSA-N 2 1 342.527 3.713 20 0 EHADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCOC[C@@H]2C2CC2)C3)cc1 ZINC001172081604 1137531513 /nfs/dbraw/zinc/53/15/13/1137531513.db2.gz HLUAYVFZZAOVMF-CIAFKFPVSA-N 2 1 340.511 3.683 20 0 EHADMP CCN(CCC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172089044 1137531894 /nfs/dbraw/zinc/53/18/94/1137531894.db2.gz PKWQUYLYYPPXGA-KOUNCHBCSA-N 2 1 343.559 3.846 20 0 EHADMP FC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC001172066037 1137533525 /nfs/dbraw/zinc/53/35/25/1137533525.db2.gz SZMPXGKKDTYGGY-ACDBMABISA-N 2 1 346.490 3.680 20 0 EHADMP COC[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068795 1137534281 /nfs/dbraw/zinc/53/42/81/1137534281.db2.gz KRXPXKVZCACTCD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068795 1137534282 /nfs/dbraw/zinc/53/42/82/1137534282.db2.gz KRXPXKVZCACTCD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068795 1137534283 /nfs/dbraw/zinc/53/42/83/1137534283.db2.gz KRXPXKVZCACTCD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068795 1137534284 /nfs/dbraw/zinc/53/42/84/1137534284.db2.gz KRXPXKVZCACTCD-WOZUAGRISA-N 2 1 328.500 3.683 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](NCCC[NH+]2CCCC2)C3)cc1 ZINC001172069310 1137534417 /nfs/dbraw/zinc/53/44/17/1137534417.db2.gz SXLGSFKSKPCDHI-DKUWSORSSA-N 2 1 341.543 3.648 20 0 EHADMP OC[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069914 1137534724 /nfs/dbraw/zinc/53/47/24/1137534724.db2.gz VTPIMUQAQZPGOC-KJJMTIBFSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172069914 1137534726 /nfs/dbraw/zinc/53/47/26/1137534726.db2.gz VTPIMUQAQZPGOC-KJJMTIBFSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069914 1137534728 /nfs/dbraw/zinc/53/47/28/1137534728.db2.gz VTPIMUQAQZPGOC-KJJMTIBFSA-N 2 1 342.527 3.667 20 0 EHADMP OC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069914 1137534730 /nfs/dbraw/zinc/53/47/30/1137534730.db2.gz VTPIMUQAQZPGOC-KJJMTIBFSA-N 2 1 342.527 3.667 20 0 EHADMP Cc1ccc([C@]2(C)C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001172128541 1137535607 /nfs/dbraw/zinc/53/56/07/1137535607.db2.gz SCRTVBJIKNOMMW-WOZUAGRISA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@]2(C)C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001172128541 1137535608 /nfs/dbraw/zinc/53/56/08/1137535608.db2.gz SCRTVBJIKNOMMW-WOZUAGRISA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@]2(C)C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128541 1137535609 /nfs/dbraw/zinc/53/56/09/1137535609.db2.gz SCRTVBJIKNOMMW-WOZUAGRISA-N 2 1 328.500 3.558 20 0 EHADMP Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001172128541 1137535610 /nfs/dbraw/zinc/53/56/10/1137535610.db2.gz SCRTVBJIKNOMMW-WOZUAGRISA-N 2 1 328.500 3.558 20 0 EHADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172133267 1137536064 /nfs/dbraw/zinc/53/60/64/1137536064.db2.gz QSUXAWOSTXXSJC-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172133267 1137536066 /nfs/dbraw/zinc/53/60/66/1137536066.db2.gz QSUXAWOSTXXSJC-FUMNGEBKSA-N 2 1 342.483 3.625 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001172103158 1137536392 /nfs/dbraw/zinc/53/63/92/1137536392.db2.gz SWSYDTDZLLVUCD-QKDCVEJESA-N 2 1 328.378 3.690 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001172102176 1137536612 /nfs/dbraw/zinc/53/66/12/1137536612.db2.gz KNBXYJUOWOPHAG-REPLKXPHSA-N 2 1 344.499 3.747 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001172107993 1137536944 /nfs/dbraw/zinc/53/69/44/1137536944.db2.gz NFTFBPJFMHRJKB-KMKNWIINSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107993 1137536946 /nfs/dbraw/zinc/53/69/46/1137536946.db2.gz NFTFBPJFMHRJKB-KMKNWIINSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107993 1137536948 /nfs/dbraw/zinc/53/69/48/1137536948.db2.gz NFTFBPJFMHRJKB-KMKNWIINSA-N 2 1 341.543 3.644 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1F ZINC001206156975 1137537096 /nfs/dbraw/zinc/53/70/96/1137537096.db2.gz UXWKVGJRRVWUFB-PMACEKPBSA-N 2 1 328.431 3.527 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001172107994 1137537114 /nfs/dbraw/zinc/53/71/14/1137537114.db2.gz NFTFBPJFMHRJKB-OHLDOZIISA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107994 1137537115 /nfs/dbraw/zinc/53/71/15/1137537115.db2.gz NFTFBPJFMHRJKB-OHLDOZIISA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172107994 1137537116 /nfs/dbraw/zinc/53/71/16/1137537116.db2.gz NFTFBPJFMHRJKB-OHLDOZIISA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001172109608 1137537127 /nfs/dbraw/zinc/53/71/27/1137537127.db2.gz FBUCBMOETLXTJL-WQIFRTTPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001172109608 1137537128 /nfs/dbraw/zinc/53/71/28/1137537128.db2.gz FBUCBMOETLXTJL-WQIFRTTPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001172109608 1137537129 /nfs/dbraw/zinc/53/71/29/1137537129.db2.gz FBUCBMOETLXTJL-WQIFRTTPSA-N 2 1 341.543 3.597 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cccc(C(F)(F)F)c1)C2 ZINC001172112287 1137537658 /nfs/dbraw/zinc/53/76/58/1137537658.db2.gz VMRZKCBGSMQGAM-OSYLJGHBSA-N 2 1 326.406 3.853 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(COc3ccccc3)CC1)C2 ZINC001172122721 1137538925 /nfs/dbraw/zinc/53/89/25/1137538925.db2.gz SWRYZTODQMEPIE-PMOLBWCYSA-N 2 1 328.500 3.793 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(COc3ccccc3)CC1)C2 ZINC001172122721 1137538926 /nfs/dbraw/zinc/53/89/26/1137538926.db2.gz SWRYZTODQMEPIE-PMOLBWCYSA-N 2 1 328.500 3.793 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172201554 1137543886 /nfs/dbraw/zinc/54/38/86/1137543886.db2.gz PKWPDFMOWFNLMC-KRWDZBQOSA-N 2 1 339.508 3.646 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172326533 1137547574 /nfs/dbraw/zinc/54/75/74/1137547574.db2.gz BLKMSPGCDAIFRJ-RTBURBONSA-N 2 1 332.532 3.877 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C[C@@H]1C ZINC001172375807 1137549681 /nfs/dbraw/zinc/54/96/81/1137549681.db2.gz RHZHECJSXQFHKD-WSTZPKSXSA-N 2 1 346.515 3.771 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C[C@@H]1C ZINC001172375807 1137549683 /nfs/dbraw/zinc/54/96/83/1137549683.db2.gz RHZHECJSXQFHKD-WSTZPKSXSA-N 2 1 346.515 3.771 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@H]1CCCOC1 ZINC000872027229 1137565991 /nfs/dbraw/zinc/56/59/91/1137565991.db2.gz KIIVHNXXAQGTQM-FUHWJXTLSA-N 2 1 331.435 3.615 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCOC1 ZINC000872040946 1137567136 /nfs/dbraw/zinc/56/71/36/1137567136.db2.gz DHQZDUMEVWQLBZ-PMXSJFBMSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCCOC1 ZINC000872040946 1137567137 /nfs/dbraw/zinc/56/71/37/1137567137.db2.gz DHQZDUMEVWQLBZ-PMXSJFBMSA-N 2 1 330.516 3.834 20 0 EHADMP CC1(C)CO[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106846 1137571433 /nfs/dbraw/zinc/57/14/33/1137571433.db2.gz VQNZSPYDFKNTLG-MOPGFXCFSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)CO[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106846 1137571434 /nfs/dbraw/zinc/57/14/34/1137571434.db2.gz VQNZSPYDFKNTLG-MOPGFXCFSA-N 2 1 328.500 3.588 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C[C@H]4CCC[C@@H]4O2)C3)cc1 ZINC000872109798 1137571754 /nfs/dbraw/zinc/57/17/54/1137571754.db2.gz RSFCXOLXFMGRPA-BTOHRNCKSA-N 2 1 340.511 3.729 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC000872110587 1137571830 /nfs/dbraw/zinc/57/18/30/1137571830.db2.gz ZWUZHNSELDEWCR-GALXQHASSA-N 2 1 325.456 3.789 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CCCc2cccc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872149219 1137573914 /nfs/dbraw/zinc/57/39/14/1137573914.db2.gz MJJWMURJBYLLJI-WMZOPIPTSA-N 2 1 336.401 3.841 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000872147730 1137573952 /nfs/dbraw/zinc/57/39/52/1137573952.db2.gz KRNAQGABVPVIAV-MFKMUULPSA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000872147730 1137573953 /nfs/dbraw/zinc/57/39/53/1137573953.db2.gz KRNAQGABVPVIAV-MFKMUULPSA-N 2 1 338.826 3.501 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151238 1137574078 /nfs/dbraw/zinc/57/40/78/1137574078.db2.gz BYBSPSBDVKAIQI-GTCCEBARSA-N 2 1 349.478 3.541 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151238 1137574079 /nfs/dbraw/zinc/57/40/79/1137574079.db2.gz BYBSPSBDVKAIQI-GTCCEBARSA-N 2 1 349.478 3.541 20 0 EHADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158138 1137574162 /nfs/dbraw/zinc/57/41/62/1137574162.db2.gz XBHNXVIAYLADJP-IEBWSBKVSA-N 2 1 343.515 3.553 20 0 EHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231624 1137594549 /nfs/dbraw/zinc/59/45/49/1137594549.db2.gz SUEGDCPXSOPHHX-UHFFFAOYSA-N 2 1 342.409 3.543 20 0 EHADMP C[N@@H+](Cc1ccc2nccnc2c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137092294 1137635873 /nfs/dbraw/zinc/63/58/73/1137635873.db2.gz LVSOWKGDMBGDIW-UHFFFAOYSA-N 2 1 338.499 3.859 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000876560649 1137655550 /nfs/dbraw/zinc/65/55/50/1137655550.db2.gz JRXLWFNVGPWQMZ-UHFFFAOYSA-N 2 1 347.503 3.950 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000876560649 1137655551 /nfs/dbraw/zinc/65/55/51/1137655551.db2.gz JRXLWFNVGPWQMZ-UHFFFAOYSA-N 2 1 347.503 3.950 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)OC1 ZINC000878529446 1137719036 /nfs/dbraw/zinc/71/90/36/1137719036.db2.gz YCALDSRRZODSRW-GOSISDBHSA-N 2 1 331.504 3.604 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578185 1137751616 /nfs/dbraw/zinc/75/16/16/1137751616.db2.gz BQHACZNHWBALNN-ICSRJNTNSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578185 1137751617 /nfs/dbraw/zinc/75/16/17/1137751617.db2.gz BQHACZNHWBALNN-ICSRJNTNSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578185 1137751618 /nfs/dbraw/zinc/75/16/18/1137751618.db2.gz BQHACZNHWBALNN-ICSRJNTNSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578185 1137751619 /nfs/dbraw/zinc/75/16/19/1137751619.db2.gz BQHACZNHWBALNN-ICSRJNTNSA-N 2 1 340.515 3.541 20 0 EHADMP Cc1cccc2c(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149451 1137766392 /nfs/dbraw/zinc/76/63/92/1137766392.db2.gz USXUCRNOLBKVGB-IBGZPJMESA-N 2 1 348.494 3.825 20 0 EHADMP Cc1cccc2c(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149451 1137766393 /nfs/dbraw/zinc/76/63/93/1137766393.db2.gz USXUCRNOLBKVGB-IBGZPJMESA-N 2 1 348.494 3.825 20 0 EHADMP Cc1cccc2c(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149451 1137766394 /nfs/dbraw/zinc/76/63/94/1137766394.db2.gz USXUCRNOLBKVGB-IBGZPJMESA-N 2 1 348.494 3.825 20 0 EHADMP Cc1cccc2c(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]nc21 ZINC001137149451 1137766395 /nfs/dbraw/zinc/76/63/95/1137766395.db2.gz USXUCRNOLBKVGB-IBGZPJMESA-N 2 1 348.494 3.825 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000883365286 1137857653 /nfs/dbraw/zinc/85/76/53/1137857653.db2.gz XQDIEKFGDMRKAW-WLRLJWMZSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1Cc1ccccc1 ZINC000883365286 1137857654 /nfs/dbraw/zinc/85/76/54/1137857654.db2.gz XQDIEKFGDMRKAW-WLRLJWMZSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000883368683 1137857751 /nfs/dbraw/zinc/85/77/51/1137857751.db2.gz XQDIEKFGDMRKAW-PMXSJFBMSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1Cc1ccccc1 ZINC000883368683 1137857752 /nfs/dbraw/zinc/85/77/52/1137857752.db2.gz XQDIEKFGDMRKAW-PMXSJFBMSA-N 2 1 328.500 3.731 20 0 EHADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CCOCC2)CC3)c1 ZINC001202638373 1137903233 /nfs/dbraw/zinc/90/32/33/1137903233.db2.gz VXSZVLZPUIDWGB-UHFFFAOYSA-N 2 1 348.556 3.853 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515973 1137913468 /nfs/dbraw/zinc/91/34/68/1137913468.db2.gz MSBLQZFVAHZRGB-LJQANCHMSA-N 2 1 338.495 3.676 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515973 1137913469 /nfs/dbraw/zinc/91/34/69/1137913469.db2.gz MSBLQZFVAHZRGB-LJQANCHMSA-N 2 1 338.495 3.676 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287072 1138064413 /nfs/dbraw/zinc/06/44/13/1138064413.db2.gz JHTMPGAVFRRCTB-UXHICEINSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CC4(CCC4)CO3)CC23CC3)cc1 ZINC000886287072 1138064414 /nfs/dbraw/zinc/06/44/14/1138064414.db2.gz JHTMPGAVFRRCTB-UXHICEINSA-N 2 1 340.511 3.732 20 0 EHADMP COC(C)(C)CC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCC(C)(C)OC)CC1 ZINC000886389669 1138073259 /nfs/dbraw/zinc/07/32/59/1138073259.db2.gz SQXREGDCPIUAGQ-IYARVYRRSA-N 2 1 342.568 3.791 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886527135 1138090550 /nfs/dbraw/zinc/09/05/50/1138090550.db2.gz ZHTSAFKCLRHOBC-BDTNDASRSA-N 2 1 335.495 3.575 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccncc1 ZINC000886536687 1138092525 /nfs/dbraw/zinc/09/25/25/1138092525.db2.gz NBKOJYHAQYFQEK-BZNRXQDOSA-N 2 1 335.495 3.828 20 0 EHADMP COc1ccccc1CCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886663234 1138110985 /nfs/dbraw/zinc/11/09/85/1138110985.db2.gz WLHUSNXONKZDHA-UHFFFAOYSA-N 2 1 327.472 3.847 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095789 1138166345 /nfs/dbraw/zinc/16/63/45/1138166345.db2.gz JBVQQKBTROPUIM-KXBFYZLASA-N 2 1 342.483 3.518 20 0 EHADMP CCc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095789 1138166347 /nfs/dbraw/zinc/16/63/47/1138166347.db2.gz JBVQQKBTROPUIM-KXBFYZLASA-N 2 1 342.483 3.518 20 0 EHADMP CCc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095789 1138166349 /nfs/dbraw/zinc/16/63/49/1138166349.db2.gz JBVQQKBTROPUIM-KXBFYZLASA-N 2 1 342.483 3.518 20 0 EHADMP CCc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](CC)C[C@@H]3C)cc(=O)oc2c1 ZINC000081095789 1138166350 /nfs/dbraw/zinc/16/63/50/1138166350.db2.gz JBVQQKBTROPUIM-KXBFYZLASA-N 2 1 342.483 3.518 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1NC(C)=O ZINC000089513022 1138200595 /nfs/dbraw/zinc/20/05/95/1138200595.db2.gz XUPLWJNBCXVGMI-CQSZACIVSA-N 2 1 347.503 3.567 20 0 EHADMP Cc1sc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc1-c1ccccc1 ZINC000090400068 1138210388 /nfs/dbraw/zinc/21/03/88/1138210388.db2.gz QHJIMPZHOBDYAM-HDMKZQKVSA-N 2 1 343.540 3.979 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000093644689 1138239096 /nfs/dbraw/zinc/23/90/96/1138239096.db2.gz DMCUUERDBKFDRG-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644689 1138239097 /nfs/dbraw/zinc/23/90/97/1138239097.db2.gz DMCUUERDBKFDRG-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644689 1138239098 /nfs/dbraw/zinc/23/90/98/1138239098.db2.gz DMCUUERDBKFDRG-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336686198 1138403317 /nfs/dbraw/zinc/40/33/17/1138403317.db2.gz GEXVTFMAJCDECI-OALUTQOASA-N 2 1 341.524 3.714 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000338013372 1138723699 /nfs/dbraw/zinc/72/36/99/1138723699.db2.gz UFDMDPHAVLNCKI-LLVKDONJSA-N 2 1 340.240 3.834 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1)C1CC1 ZINC000338052400 1138734412 /nfs/dbraw/zinc/73/44/12/1138734412.db2.gz UPPCVLDVCMQUTF-UHFFFAOYSA-N 2 1 345.531 3.520 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000338130001 1138760140 /nfs/dbraw/zinc/76/01/40/1138760140.db2.gz HMXIMLATUWKCEO-MSOLQXFVSA-N 2 1 345.531 3.521 20 0 EHADMP COCC[N@@H+](C)CCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000338213003 1138789537 /nfs/dbraw/zinc/78/95/37/1138789537.db2.gz NJQYOULMPVXQMP-LJQANCHMSA-N 2 1 346.515 3.771 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000338213003 1138789543 /nfs/dbraw/zinc/78/95/43/1138789543.db2.gz NJQYOULMPVXQMP-LJQANCHMSA-N 2 1 346.515 3.771 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000338279655 1138813415 /nfs/dbraw/zinc/81/34/15/1138813415.db2.gz ABPLVUYNCJDOQV-GOSISDBHSA-N 2 1 328.504 3.541 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000151118373 1139010305 /nfs/dbraw/zinc/01/03/05/1139010305.db2.gz OLEWJPUFDMYDJX-FUHWJXTLSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152164226 1139077739 /nfs/dbraw/zinc/07/77/39/1139077739.db2.gz WEFXZJZOWPCFBW-MJBXVCDLSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152164226 1139077744 /nfs/dbraw/zinc/07/77/44/1139077744.db2.gz WEFXZJZOWPCFBW-MJBXVCDLSA-N 2 1 330.394 3.545 20 0 EHADMP COc1ccc(C2(C[NH2+]C3CC[NH+](C)CC3)CCCCC2)cc1OC ZINC000177339250 1139614024 /nfs/dbraw/zinc/61/40/24/1139614024.db2.gz UCWPBIIIWOFTNX-UHFFFAOYSA-N 2 1 346.515 3.590 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H](C)C1 ZINC000178298994 1139684985 /nfs/dbraw/zinc/68/49/85/1139684985.db2.gz BDBBQUOYTUTNLH-VQIMIIECSA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H](C)C1 ZINC000178298994 1139684987 /nfs/dbraw/zinc/68/49/87/1139684987.db2.gz BDBBQUOYTUTNLH-VQIMIIECSA-N 2 1 325.456 3.694 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000178702714 1139712983 /nfs/dbraw/zinc/71/29/83/1139712983.db2.gz CPIAPDJKUDGKED-CRAIPNDOSA-N 2 1 325.456 3.864 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000182448780 1139972628 /nfs/dbraw/zinc/97/26/28/1139972628.db2.gz PFOHEGRNPHGJDZ-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000182448780 1139972634 /nfs/dbraw/zinc/97/26/34/1139972634.db2.gz PFOHEGRNPHGJDZ-PXNSSMCTSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100533 1140013648 /nfs/dbraw/zinc/01/36/48/1140013648.db2.gz VCSLNYKLPRWMNI-VQIMIIECSA-N 2 1 326.484 3.705 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763992 1140168611 /nfs/dbraw/zinc/16/86/11/1140168611.db2.gz LRXHTFVAYWJLJR-ALKREAHSSA-N 2 1 336.907 3.616 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187066587 1140236321 /nfs/dbraw/zinc/23/63/21/1140236321.db2.gz HFHPHMIZORIIRO-SFHVURJKSA-N 2 1 334.529 3.541 20 0 EHADMP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1C ZINC000194259754 1140603795 /nfs/dbraw/zinc/60/37/95/1140603795.db2.gz ULFITHNXHWUJAS-UHFFFAOYSA-N 2 1 339.414 3.927 20 0 EHADMP Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(C[NH+](C)C)c1 ZINC000267196746 1140767014 /nfs/dbraw/zinc/76/70/14/1140767014.db2.gz DIYLVDOHYPRRTK-KRWDZBQOSA-N 2 1 343.515 3.650 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000268765633 1140987199 /nfs/dbraw/zinc/98/71/99/1140987199.db2.gz BRBOCOIHSOINPW-JLTOFOAXSA-N 2 1 339.414 3.704 20 0 EHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268781757 1140990454 /nfs/dbraw/zinc/99/04/54/1140990454.db2.gz CIDKEFACFSFVRZ-CYBMUJFWSA-N 2 1 326.469 3.974 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268883339 1141016722 /nfs/dbraw/zinc/01/67/22/1141016722.db2.gz FPBAZPSZRRTTFM-DENIHFKCSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269092399 1141063453 /nfs/dbraw/zinc/06/34/53/1141063453.db2.gz QUWPUKSYWWHDRY-GHTZIAJQSA-N 3 1 343.559 3.892 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000271304013 1141342939 /nfs/dbraw/zinc/34/29/39/1141342939.db2.gz PMCWSAOXQCNSBG-ZDUSSCGKSA-N 2 1 336.277 3.737 20 0 EHADMP C[N@@H+](CCCC1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274243227 1141489106 /nfs/dbraw/zinc/48/91/06/1141489106.db2.gz WTAJBUAWAUXYBT-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](CCCC1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274243227 1141489108 /nfs/dbraw/zinc/48/91/08/1141489108.db2.gz WTAJBUAWAUXYBT-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP C[NH+](CCCC1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274243227 1141489112 /nfs/dbraw/zinc/48/91/12/1141489112.db2.gz WTAJBUAWAUXYBT-OAQYLSRUSA-N 2 1 330.516 3.647 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000348710252 1141569533 /nfs/dbraw/zinc/56/95/33/1141569533.db2.gz ZEVVIVWGOSRISH-JQHSSLGASA-N 2 1 327.472 3.630 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439317 1014468786 /nfs/dbraw/zinc/46/87/86/1014468786.db2.gz ONIMDPWZNZKDIQ-INIZCTEOSA-N 2 1 328.378 3.503 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439317 1014468791 /nfs/dbraw/zinc/46/87/91/1014468791.db2.gz ONIMDPWZNZKDIQ-INIZCTEOSA-N 2 1 328.378 3.503 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439317 1014468795 /nfs/dbraw/zinc/46/87/95/1014468795.db2.gz ONIMDPWZNZKDIQ-INIZCTEOSA-N 2 1 328.378 3.503 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000339439317 1014468801 /nfs/dbraw/zinc/46/88/01/1014468801.db2.gz ONIMDPWZNZKDIQ-INIZCTEOSA-N 2 1 328.378 3.503 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1OC(F)(F)F ZINC000643546602 1014479465 /nfs/dbraw/zinc/47/94/65/1014479465.db2.gz RNSUVAABBFRLBV-OLZOCXBDSA-N 2 1 328.378 3.911 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000536668118 1032093152 /nfs/dbraw/zinc/09/31/52/1032093152.db2.gz ZBTGLCZBUUQIAU-ROUUACIJSA-N 2 1 329.532 3.695 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H]1C ZINC000449024884 1032097212 /nfs/dbraw/zinc/09/72/12/1032097212.db2.gz AAJAANCCXNRBOC-HNAYVOBHSA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H]1C ZINC000449024884 1032097227 /nfs/dbraw/zinc/09/72/27/1032097227.db2.gz AAJAANCCXNRBOC-HNAYVOBHSA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H]1C ZINC000449024884 1032097238 /nfs/dbraw/zinc/09/72/38/1032097238.db2.gz AAJAANCCXNRBOC-HNAYVOBHSA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H]1C ZINC000449024882 1032099573 /nfs/dbraw/zinc/09/95/73/1032099573.db2.gz AAJAANCCXNRBOC-BEFAXECRSA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H]1C ZINC000449024882 1032099590 /nfs/dbraw/zinc/09/95/90/1032099590.db2.gz AAJAANCCXNRBOC-BEFAXECRSA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H]1C ZINC000449024882 1032099606 /nfs/dbraw/zinc/09/96/06/1032099606.db2.gz AAJAANCCXNRBOC-BEFAXECRSA-N 2 1 344.478 3.531 20 0 EHADMP C[C@@H]([NH2+]CCn1cnc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274748575 1014800812 /nfs/dbraw/zinc/80/08/12/1014800812.db2.gz BGVCSUWSYOYPAW-UYAOXDASSA-N 2 1 348.494 3.537 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@@H]1c1cccs1 ZINC000459430414 1032115642 /nfs/dbraw/zinc/11/56/42/1032115642.db2.gz LBEMUVFCKYTTJJ-FUHWJXTLSA-N 2 1 342.512 3.588 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@@H]1c1cccs1 ZINC000459430414 1032115647 /nfs/dbraw/zinc/11/56/47/1032115647.db2.gz LBEMUVFCKYTTJJ-FUHWJXTLSA-N 2 1 342.512 3.588 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000119802986 1015459537 /nfs/dbraw/zinc/45/95/37/1015459537.db2.gz NWTJSUKZYBVCGR-CQSZACIVSA-N 2 1 331.423 3.908 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000154471737 1015481623 /nfs/dbraw/zinc/48/16/23/1015481623.db2.gz RQWLGZWGGVHZFZ-OAHLLOKOSA-N 2 1 341.902 3.547 20 0 EHADMP O[C@]1(C[NH2+]C2CCC3(CCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000705424488 1015552361 /nfs/dbraw/zinc/55/23/61/1015552361.db2.gz DRQBPZLMQIZXNK-QFIPXVFZSA-N 2 1 342.527 3.716 20 0 EHADMP O[C@]1(C[NH2+]C2CCC3(CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000705424488 1015552367 /nfs/dbraw/zinc/55/23/67/1015552367.db2.gz DRQBPZLMQIZXNK-QFIPXVFZSA-N 2 1 342.527 3.716 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)c1coc(C[NH3+])c1)C1CCCCC1 ZINC000188026475 1015634876 /nfs/dbraw/zinc/63/48/76/1015634876.db2.gz XZIUNWLWEVFKQW-UHFFFAOYSA-N 2 1 341.455 3.755 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC000339843919 1015744641 /nfs/dbraw/zinc/74/46/41/1015744641.db2.gz XWIMEPIPNWULBA-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000182752387 1032126636 /nfs/dbraw/zinc/12/66/36/1032126636.db2.gz MZRDDXWATLBHED-UHFFFAOYSA-N 2 1 334.533 3.730 20 0 EHADMP C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000547746940 1015795376 /nfs/dbraw/zinc/79/53/76/1015795376.db2.gz FBBRAXAJKKMEBB-UONOGXRCSA-N 2 1 336.430 3.956 20 0 EHADMP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459451719 1032139821 /nfs/dbraw/zinc/13/98/21/1032139821.db2.gz QQLUPZUNACJNIR-RTWAWAEBSA-N 2 1 328.500 3.901 20 0 EHADMP [NH3+]CCC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000236165093 1016563545 /nfs/dbraw/zinc/56/35/45/1016563545.db2.gz RZQGEYZVMUGJNV-UHFFFAOYSA-N 2 1 331.685 3.663 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238109 1016757386 /nfs/dbraw/zinc/75/73/86/1016757386.db2.gz YAANYPHIUDCBJB-VQIMIIECSA-N 2 1 332.488 3.634 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000537952526 1016879182 /nfs/dbraw/zinc/87/91/82/1016879182.db2.gz JTAMDWSZNKRLEI-SJORKVTESA-N 2 1 343.515 3.590 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000275517627 1016955521 /nfs/dbraw/zinc/95/55/21/1016955521.db2.gz YQGBGINIRMDXMO-UXHICEINSA-N 2 1 334.479 3.854 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@H]1SC ZINC000459460420 1032162527 /nfs/dbraw/zinc/16/25/27/1032162527.db2.gz HWCOBPMRNBQIBT-IPMKNSEASA-N 2 1 336.545 3.525 20 0 EHADMP CCOc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc(Cl)c1O ZINC000459474049 1032189402 /nfs/dbraw/zinc/18/94/02/1032189402.db2.gz DZYNNLHSVHIUPA-CQSZACIVSA-N 2 1 340.895 3.798 20 0 EHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000657843513 1032217567 /nfs/dbraw/zinc/21/75/67/1032217567.db2.gz ZWCTZVDTIGISKU-DOTOQJQBSA-N 2 1 328.422 3.958 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449145558 1032247309 /nfs/dbraw/zinc/24/73/09/1032247309.db2.gz YAJLYWAEKIJWIV-DENIHFKCSA-N 2 1 343.559 3.546 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000449153008 1032254865 /nfs/dbraw/zinc/25/48/65/1032254865.db2.gz IDIUIHTUPOZZOJ-SJLPKXTDSA-N 2 1 336.907 3.677 20 0 EHADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000449163162 1032277466 /nfs/dbraw/zinc/27/74/66/1032277466.db2.gz VCVJHXWHTYKLLK-OLECLDRESA-N 2 1 336.545 3.926 20 0 EHADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000449163162 1032277469 /nfs/dbraw/zinc/27/74/69/1032277469.db2.gz VCVJHXWHTYKLLK-OLECLDRESA-N 2 1 336.545 3.926 20 0 EHADMP CSCC1CCC([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000449166030 1032280384 /nfs/dbraw/zinc/28/03/84/1032280384.db2.gz YUPQZNFIHPTUEG-UHFFFAOYSA-N 2 1 333.545 3.870 20 0 EHADMP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459564006 1032290002 /nfs/dbraw/zinc/29/00/02/1032290002.db2.gz PLNJWDRCKPLGRM-HNNXBMFYSA-N 2 1 326.406 3.624 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000538398969 1032329199 /nfs/dbraw/zinc/32/91/99/1032329199.db2.gz VIKRIEWYIZQSKR-WOJBJXKFSA-N 2 1 330.516 3.753 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185098431 1032363952 /nfs/dbraw/zinc/36/39/52/1032363952.db2.gz BKPPCFZBXQSIPO-CYBMUJFWSA-N 2 1 343.406 3.512 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651980 1032372466 /nfs/dbraw/zinc/37/24/66/1032372466.db2.gz BHTFSZAYDFLPBM-CVEARBPZSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651980 1032372477 /nfs/dbraw/zinc/37/24/77/1032372477.db2.gz BHTFSZAYDFLPBM-CVEARBPZSA-N 2 1 348.453 3.542 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651980 1032372489 /nfs/dbraw/zinc/37/24/89/1032372489.db2.gz BHTFSZAYDFLPBM-CVEARBPZSA-N 2 1 348.453 3.542 20 0 EHADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905248881 1032391789 /nfs/dbraw/zinc/39/17/89/1032391789.db2.gz QLJPWFSGBKWGMM-MQBCKMQZSA-N 2 1 343.298 3.633 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000395109864 1032405362 /nfs/dbraw/zinc/40/53/62/1032405362.db2.gz AXEKJFPUOHZGFK-CQSZACIVSA-N 2 1 325.294 3.577 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000449396682 1032502829 /nfs/dbraw/zinc/50/28/29/1032502829.db2.gz MDJVXDVPDNAOSG-PWRODBHTSA-N 2 1 349.522 3.859 20 0 EHADMP CCc1noc(C2CCC([NH2+][C@@H](CC(C)C)C[NH+]3CCCC3)CC2)n1 ZINC000449385387 1032510881 /nfs/dbraw/zinc/51/08/81/1032510881.db2.gz QDCZSJHNVCWCFL-ABHNRTSZSA-N 2 1 348.535 3.758 20 0 EHADMP CC1(C)C[N@H+](Cc2cocn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413964 1032517654 /nfs/dbraw/zinc/51/76/54/1032517654.db2.gz KTMCBDLZWSZMJE-FQEVSTJZSA-N 2 1 339.483 3.797 20 0 EHADMP CC1(C)C[N@@H+](Cc2cocn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413964 1032517657 /nfs/dbraw/zinc/51/76/57/1032517657.db2.gz KTMCBDLZWSZMJE-FQEVSTJZSA-N 2 1 339.483 3.797 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000537205518 1032568031 /nfs/dbraw/zinc/56/80/31/1032568031.db2.gz ZKKAOFCECUIRSF-UHFFFAOYSA-N 2 1 340.515 3.639 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449440403 1032584734 /nfs/dbraw/zinc/58/47/34/1032584734.db2.gz ZGCULBLMYSXVQX-KRWDZBQOSA-N 2 1 344.421 3.593 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000378877923 1017350948 /nfs/dbraw/zinc/35/09/48/1017350948.db2.gz CFCADUQQYHWYHJ-QHCPKHFHSA-N 2 1 334.507 3.841 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000655703097 1017427862 /nfs/dbraw/zinc/42/78/62/1017427862.db2.gz LURBSIVGZZEHAI-PKOBYXMFSA-N 2 1 339.483 3.653 20 0 EHADMP C[C@H]([NH2+][C@H]1COc2ccc(F)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000468032861 1017455661 /nfs/dbraw/zinc/45/56/61/1017455661.db2.gz DCUXQMYLVZCBDC-LIRRHRJNSA-N 2 1 344.430 3.550 20 0 EHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](CO)C(C)C ZINC000449513927 1032700827 /nfs/dbraw/zinc/70/08/27/1032700827.db2.gz UPFWQSNBLUIOKM-LEWJYISDSA-N 2 1 332.532 3.530 20 0 EHADMP CC(C)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655737167 1017494713 /nfs/dbraw/zinc/49/47/13/1017494713.db2.gz WJAIGYQBYXODMA-AVRDEDQJSA-N 2 1 344.543 3.974 20 0 EHADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415085752 1017531866 /nfs/dbraw/zinc/53/18/66/1017531866.db2.gz RAKIXFBUCHBVJT-YADHBBJMSA-N 3 1 343.559 3.827 20 0 EHADMP CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655755165 1017547193 /nfs/dbraw/zinc/54/71/93/1017547193.db2.gz RLFXHTDASNNVLN-JAXLGGSGSA-N 2 1 342.527 3.789 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000415106062 1017560969 /nfs/dbraw/zinc/56/09/69/1017560969.db2.gz NUDDRJKFPXLKAF-FVQBIDKESA-N 2 1 341.268 3.599 20 0 EHADMP CCOC(=O)CCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001167307037 1017733462 /nfs/dbraw/zinc/73/34/62/1017733462.db2.gz OULDEIQCUUBZBS-UHFFFAOYSA-N 2 1 346.515 3.564 20 0 EHADMP c1cc2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc2[nH]1 ZINC000574098998 1032719462 /nfs/dbraw/zinc/71/94/62/1032719462.db2.gz ACAMLIRNKZHVSS-UHFFFAOYSA-N 2 1 333.479 3.965 20 0 EHADMP Fc1ccc(OC(F)F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000659842866 1017767877 /nfs/dbraw/zinc/76/78/77/1017767877.db2.gz GBGOKZXKFWFOJS-UHFFFAOYSA-N 2 1 342.405 3.735 20 0 EHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000340450132 1017873391 /nfs/dbraw/zinc/87/33/91/1017873391.db2.gz OYVWASSETYUMRU-DZIBYMRMSA-N 2 1 339.483 3.881 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)OC(C)(C)C)CC1 ZINC000340476336 1018025661 /nfs/dbraw/zinc/02/56/61/1018025661.db2.gz UIZGUHKAVJZRQH-UHFFFAOYSA-N 2 1 346.515 3.751 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072986 1032765739 /nfs/dbraw/zinc/76/57/39/1032765739.db2.gz AEOSOBANOHKICP-IBGZPJMESA-N 2 1 340.515 3.747 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072986 1032765747 /nfs/dbraw/zinc/76/57/47/1032765747.db2.gz AEOSOBANOHKICP-IBGZPJMESA-N 2 1 340.515 3.747 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072986 1032765761 /nfs/dbraw/zinc/76/57/61/1032765761.db2.gz AEOSOBANOHKICP-IBGZPJMESA-N 2 1 340.515 3.747 20 0 EHADMP Clc1c(Br)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000706451966 1018597436 /nfs/dbraw/zinc/59/74/36/1018597436.db2.gz TZOSDNJCXWSFNM-TXEJJXNPSA-N 2 1 343.696 3.534 20 0 EHADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000580232626 1018839456 /nfs/dbraw/zinc/83/94/56/1018839456.db2.gz NCJGXEXJGOCGEH-UHFFFAOYSA-N 2 1 346.515 3.981 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCC ZINC000340673171 1019148794 /nfs/dbraw/zinc/14/87/94/1019148794.db2.gz DQNFTMOERMMGEZ-UHFFFAOYSA-N 2 1 346.515 3.840 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000125547084 1019326896 /nfs/dbraw/zinc/32/68/96/1019326896.db2.gz CWLSXHZDOGHMMS-GOSISDBHSA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000125547084 1019326909 /nfs/dbraw/zinc/32/69/09/1019326909.db2.gz CWLSXHZDOGHMMS-GOSISDBHSA-N 2 1 342.458 3.788 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261661617 1019424241 /nfs/dbraw/zinc/42/42/41/1019424241.db2.gz FGEXQKQIIKGRJA-HHXXYDBFSA-N 2 1 329.488 3.517 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000513300851 1019522234 /nfs/dbraw/zinc/52/22/34/1019522234.db2.gz OUALCQMJWQVPCG-UHFFFAOYSA-N 2 1 345.531 3.523 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)CC1 ZINC000500982275 1019703503 /nfs/dbraw/zinc/70/35/03/1019703503.db2.gz YFHKFIICCUNPIC-MSOLQXFVSA-N 2 1 347.522 3.549 20 0 EHADMP FC(F)(F)CCCN1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCCO3)C2)C1 ZINC001279467554 1019716796 /nfs/dbraw/zinc/71/67/96/1019716796.db2.gz OGTDNNCUFSVXQK-DLBZAZTESA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC001279467554 1019716814 /nfs/dbraw/zinc/71/68/14/1019716814.db2.gz OGTDNNCUFSVXQK-DLBZAZTESA-N 2 1 348.453 3.686 20 0 EHADMP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC001279467554 1019716832 /nfs/dbraw/zinc/71/68/32/1019716832.db2.gz OGTDNNCUFSVXQK-DLBZAZTESA-N 2 1 348.453 3.686 20 0 EHADMP COC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513668416 1019919595 /nfs/dbraw/zinc/91/95/95/1019919595.db2.gz YEEHXTZCXIONMH-HSALFYBXSA-N 2 1 330.516 3.692 20 0 EHADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000580733025 1019930730 /nfs/dbraw/zinc/93/07/30/1019930730.db2.gz QXWWSIJJKXKFJJ-VLMYXLFRSA-N 2 1 338.417 3.828 20 0 EHADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)CC(C)C ZINC000684112209 1020244077 /nfs/dbraw/zinc/24/40/77/1020244077.db2.gz KYRSRTCEASRIBB-OTWHNJEPSA-N 2 1 334.552 3.792 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000580991646 1020338502 /nfs/dbraw/zinc/33/85/02/1020338502.db2.gz QHZIHIBVVCBMNE-QKNQBKEWSA-N 2 1 346.563 3.792 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280525521 1020441504 /nfs/dbraw/zinc/44/15/04/1020441504.db2.gz BLDQKFXVEKWUNW-KRWDZBQOSA-N 2 1 349.482 3.780 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000581158535 1020493661 /nfs/dbraw/zinc/49/36/61/1020493661.db2.gz VVJHSXHKFYQIAC-UHFFFAOYSA-N 2 1 348.531 3.579 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](NCC[NH+]3CCCCCC3)CC23CC3)cc1 ZINC000581190139 1020510638 /nfs/dbraw/zinc/51/06/38/1020510638.db2.gz JKBGYNGWWIPCLM-OAQYLSRUSA-N 2 1 341.543 3.649 20 0 EHADMP CCn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000093844541 1032913066 /nfs/dbraw/zinc/91/30/66/1032913066.db2.gz DKBJYGNRKBHGLQ-QGZVFWFLSA-N 2 1 346.563 3.996 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510375718 1020625880 /nfs/dbraw/zinc/62/58/80/1020625880.db2.gz JJAZBUDPHUQNIC-ICSRJNTNSA-N 2 1 334.479 3.636 20 0 EHADMP C[C@](C[NH3+])([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000430566267 1020731302 /nfs/dbraw/zinc/73/13/02/1020731302.db2.gz GZEJTNUCKHIBLO-JOCHJYFZSA-N 2 1 346.478 3.756 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)CC1 ZINC000154891965 1020947455 /nfs/dbraw/zinc/94/74/55/1020947455.db2.gz FNWKZILAFYRJNS-FBBABVLZSA-N 2 1 330.516 3.659 20 0 EHADMP Fc1cc(Br)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000129142268 1021004906 /nfs/dbraw/zinc/00/49/06/1021004906.db2.gz MJMVYSVVNBDMBU-UHFFFAOYSA-N 2 1 341.268 3.552 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000072726307 1021017017 /nfs/dbraw/zinc/01/70/17/1021017017.db2.gz KEVWPTSLTSOPKT-UHFFFAOYSA-N 2 1 346.496 3.520 20 0 EHADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000341167183 1021036934 /nfs/dbraw/zinc/03/69/34/1021036934.db2.gz SJUHEIAZTGBRNQ-UHFFFAOYSA-N 2 1 335.451 3.984 20 0 EHADMP Clc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(Cl)n1 ZINC001167963659 1021174782 /nfs/dbraw/zinc/17/47/82/1021174782.db2.gz ASLKJFUYJZCRCU-GOOCMWNKSA-N 2 1 340.298 3.883 20 0 EHADMP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(Cl)n1 ZINC001167963659 1021174789 /nfs/dbraw/zinc/17/47/89/1021174789.db2.gz ASLKJFUYJZCRCU-GOOCMWNKSA-N 2 1 340.298 3.883 20 0 EHADMP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(Cl)n1 ZINC001167963659 1021174797 /nfs/dbraw/zinc/17/47/97/1021174797.db2.gz ASLKJFUYJZCRCU-GOOCMWNKSA-N 2 1 340.298 3.883 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786414 1021332514 /nfs/dbraw/zinc/33/25/14/1021332514.db2.gz SGAWREWMVVZSDS-LJQANCHMSA-N 2 1 338.499 3.597 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cc1O ZINC000426354548 1021363172 /nfs/dbraw/zinc/36/31/72/1021363172.db2.gz TWYQSWORCYXXNY-IRXDYDNUSA-N 2 1 334.504 3.576 20 0 EHADMP c1ccc(N2CCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964678 1021501810 /nfs/dbraw/zinc/50/18/10/1021501810.db2.gz WBQIJEISISLFRU-SEJPIABJSA-N 2 1 339.527 3.782 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000638849490 1021523404 /nfs/dbraw/zinc/52/34/04/1021523404.db2.gz HPFBTOBZSMKQNG-REHHDOPLSA-N 2 1 328.500 3.759 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000638849490 1021523416 /nfs/dbraw/zinc/52/34/16/1021523416.db2.gz HPFBTOBZSMKQNG-REHHDOPLSA-N 2 1 328.500 3.759 20 0 EHADMP Fc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1Br ZINC000135056312 1123577912 /nfs/dbraw/zinc/57/79/12/1123577912.db2.gz NAFRQELENAYHLQ-UHFFFAOYSA-N 2 1 329.257 3.554 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440636100 1021667358 /nfs/dbraw/zinc/66/73/58/1021667358.db2.gz JZLVXPBWISRVOP-NSHDSACASA-N 2 1 349.360 3.773 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4nccc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413438 1021675134 /nfs/dbraw/zinc/67/51/34/1021675134.db2.gz ZHTYKWXDQRNIPH-OYRHEFFESA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4nccc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413438 1021675138 /nfs/dbraw/zinc/67/51/38/1021675138.db2.gz ZHTYKWXDQRNIPH-OYRHEFFESA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4nccc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413438 1021675142 /nfs/dbraw/zinc/67/51/42/1021675142.db2.gz ZHTYKWXDQRNIPH-OYRHEFFESA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4nccc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413438 1021675149 /nfs/dbraw/zinc/67/51/49/1021675149.db2.gz ZHTYKWXDQRNIPH-OYRHEFFESA-N 2 1 343.474 3.799 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000164608378 1021772371 /nfs/dbraw/zinc/77/23/71/1021772371.db2.gz BWCQRTGCQXREQN-CQSZACIVSA-N 2 1 340.471 3.552 20 0 EHADMP Fc1cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)ccc1Br ZINC000261943965 1021824235 /nfs/dbraw/zinc/82/42/35/1021824235.db2.gz NDGRJXQMDDTJQE-INIZCTEOSA-N 2 1 341.268 3.725 20 0 EHADMP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001279132537 1021951362 /nfs/dbraw/zinc/95/13/62/1021951362.db2.gz JXQLAGHVFIWXRK-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001279132537 1021951374 /nfs/dbraw/zinc/95/13/74/1021951374.db2.gz JXQLAGHVFIWXRK-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001279132537 1021951379 /nfs/dbraw/zinc/95/13/79/1021951379.db2.gz JXQLAGHVFIWXRK-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001279132537 1021951385 /nfs/dbraw/zinc/95/13/85/1021951385.db2.gz JXQLAGHVFIWXRK-OAQYLSRUSA-N 2 1 328.500 3.926 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000449679331 1033029546 /nfs/dbraw/zinc/02/95/46/1033029546.db2.gz DKDMETJOSSTLKI-KJJMTIBFSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cc2ccccc2o1 ZINC000425898015 1022141891 /nfs/dbraw/zinc/14/18/91/1022141891.db2.gz XGJDTBUIZKKZKG-CYBMUJFWSA-N 2 1 325.412 3.739 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415011834 1022146329 /nfs/dbraw/zinc/14/63/29/1022146329.db2.gz ILOJTDDRVFUCBI-DLBZAZTESA-N 2 1 334.467 3.673 20 0 EHADMP COC(=O)c1cc2cc(CN(C)CC[C@H]3CCCC[N@H+]3C)ccc2o1 ZINC000441334855 1022155364 /nfs/dbraw/zinc/15/53/64/1022155364.db2.gz DFMGYKUQUFVUHL-QGZVFWFLSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2o1 ZINC000441334855 1022155369 /nfs/dbraw/zinc/15/53/69/1022155369.db2.gz DFMGYKUQUFVUHL-QGZVFWFLSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2o1 ZINC000441334855 1022155374 /nfs/dbraw/zinc/15/53/74/1022155374.db2.gz DFMGYKUQUFVUHL-QGZVFWFLSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)ccc2o1 ZINC000441334855 1022155379 /nfs/dbraw/zinc/15/53/79/1022155379.db2.gz DFMGYKUQUFVUHL-QGZVFWFLSA-N 2 1 344.455 3.526 20 0 EHADMP COC(=O)c1cc2cc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)ccc2o1 ZINC000441334855 1022155385 /nfs/dbraw/zinc/15/53/85/1022155385.db2.gz DFMGYKUQUFVUHL-QGZVFWFLSA-N 2 1 344.455 3.526 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000517244261 1022164968 /nfs/dbraw/zinc/16/49/68/1022164968.db2.gz DTALVKVJBUNEDG-UHFFFAOYSA-N 2 1 333.426 3.586 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000276674283 1022165865 /nfs/dbraw/zinc/16/58/65/1022165865.db2.gz SAMJMMFHNXMJKZ-AFVILVPDSA-N 2 1 330.516 3.692 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919478 1022202242 /nfs/dbraw/zinc/20/22/42/1022202242.db2.gz GNYQCMKYBCZZBU-FXAWDEMLSA-N 2 1 343.902 3.950 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000550077843 1022346060 /nfs/dbraw/zinc/34/60/60/1022346060.db2.gz GNKYMHAHPMUDSV-ZWKOTPCHSA-N 2 1 338.536 3.743 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000550097892 1022421907 /nfs/dbraw/zinc/42/19/07/1022421907.db2.gz YDRRFSUMOSZRKT-GOSISDBHSA-N 2 1 341.499 3.867 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167971566 1022426405 /nfs/dbraw/zinc/42/64/05/1022426405.db2.gz YUZIBVKWRRVUIH-DXJOGWAWSA-N 2 1 332.463 3.890 20 0 EHADMP CC1(C)C[N@@H+](C[C@@H]2CCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836082 1022689492 /nfs/dbraw/zinc/68/94/92/1022689492.db2.gz OAHCLIDPVXNRIP-PZJWPPBQSA-N 2 1 342.527 3.646 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccno2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837101 1022697487 /nfs/dbraw/zinc/69/74/87/1022697487.db2.gz ZWNKOBGDUFTVOS-HXUWFJFHSA-N 2 1 339.483 3.797 20 0 EHADMP CC1([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414932473 1022705133 /nfs/dbraw/zinc/70/51/33/1022705133.db2.gz CSFHSJOAQFNQAP-UHFFFAOYSA-N 2 1 340.311 3.956 20 0 EHADMP Fc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)c1F ZINC000426059539 1022788726 /nfs/dbraw/zinc/78/87/26/1022788726.db2.gz FMJASBNQPOJEST-HOTGVXAUSA-N 2 1 334.454 3.993 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188558907 1022826643 /nfs/dbraw/zinc/82/66/43/1022826643.db2.gz USSYTQWLIGIWMN-GLJUWKHASA-N 2 1 333.907 3.693 20 0 EHADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000293617601 1022873596 /nfs/dbraw/zinc/87/35/96/1022873596.db2.gz FLHBBVWEZYYMCQ-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430956677 1022957279 /nfs/dbraw/zinc/95/72/79/1022957279.db2.gz PNYVVYFEVCIYEX-ZFWWWQNUSA-N 2 1 330.394 3.534 20 0 EHADMP CC(C)[NH+]1CCC(N(C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000506354972 1022980709 /nfs/dbraw/zinc/98/07/09/1022980709.db2.gz FMTZEXNWQXITQB-UHFFFAOYSA-N 2 1 345.575 3.949 20 0 EHADMP COc1cccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168001309 1023254847 /nfs/dbraw/zinc/25/48/47/1023254847.db2.gz AHPGSPMAANIIGW-CBQMWWCCSA-N 2 1 340.511 3.890 20 0 EHADMP COc1cccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168001309 1023254858 /nfs/dbraw/zinc/25/48/58/1023254858.db2.gz AHPGSPMAANIIGW-CBQMWWCCSA-N 2 1 340.511 3.890 20 0 EHADMP COc1cccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168001309 1023254864 /nfs/dbraw/zinc/25/48/64/1023254864.db2.gz AHPGSPMAANIIGW-CBQMWWCCSA-N 2 1 340.511 3.890 20 0 EHADMP Brc1c[nH+]ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132501215 1023422559 /nfs/dbraw/zinc/42/25/59/1023422559.db2.gz PXRQNLXZIBLLDX-UHFFFAOYSA-N 2 1 346.272 3.921 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCOC1 ZINC000510962040 1023539082 /nfs/dbraw/zinc/53/90/82/1023539082.db2.gz YQMLQCLLOCMJOA-YSIASYRMSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCOC1 ZINC000510962040 1023539084 /nfs/dbraw/zinc/53/90/84/1023539084.db2.gz YQMLQCLLOCMJOA-YSIASYRMSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1CC([NH2+][C@@H](CO)c2cccs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019219 1023988499 /nfs/dbraw/zinc/98/84/99/1023988499.db2.gz HNEUKGGQQFWRCS-MDZRGWNJSA-N 2 1 344.524 3.813 20 0 EHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000522546426 1024055548 /nfs/dbraw/zinc/05/55/48/1024055548.db2.gz LXMPBZDKOUZBSL-CJNGLKHVSA-N 2 1 339.911 3.623 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342117722 1024139869 /nfs/dbraw/zinc/13/98/69/1024139869.db2.gz LHCPACAXPXEDEB-UHFFFAOYSA-N 2 1 348.288 3.793 20 0 EHADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039538 1024187741 /nfs/dbraw/zinc/18/77/41/1024187741.db2.gz POPSXWWQEKHVQW-NQIIRXRSSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H](CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039538 1024187747 /nfs/dbraw/zinc/18/77/47/1024187747.db2.gz POPSXWWQEKHVQW-NQIIRXRSSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H](CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039538 1024187752 /nfs/dbraw/zinc/18/77/52/1024187752.db2.gz POPSXWWQEKHVQW-NQIIRXRSSA-N 2 1 330.516 3.646 20 0 EHADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639293299 1024207128 /nfs/dbraw/zinc/20/71/28/1024207128.db2.gz BJGLROXEXMBKAL-LKUPVBHCSA-N 2 1 328.500 3.759 20 0 EHADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639293299 1024207138 /nfs/dbraw/zinc/20/71/38/1024207138.db2.gz BJGLROXEXMBKAL-LKUPVBHCSA-N 2 1 328.500 3.759 20 0 EHADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000895293829 1024235626 /nfs/dbraw/zinc/23/56/26/1024235626.db2.gz ROTROSMSXFNKIJ-GFCCVEGCSA-N 2 1 340.393 3.525 20 0 EHADMP C[C@@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044280 1024252992 /nfs/dbraw/zinc/25/29/92/1024252992.db2.gz GUCGIHNOWDZZMX-FPOVZHCZSA-N 2 1 330.516 3.790 20 0 EHADMP Cc1noc(C2CCC([NH2+]CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000330270375 1024380079 /nfs/dbraw/zinc/38/00/79/1024380079.db2.gz UBVPZKKOAHAJIT-BXXOZEPKSA-N 2 1 348.535 3.750 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000346188073 1024470332 /nfs/dbraw/zinc/47/03/32/1024470332.db2.gz UHHZYVHDZXHGSY-UHFFFAOYSA-N 2 1 326.831 3.861 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000346188073 1024470336 /nfs/dbraw/zinc/47/03/36/1024470336.db2.gz UHHZYVHDZXHGSY-UHFFFAOYSA-N 2 1 326.831 3.861 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000346180051 1024494477 /nfs/dbraw/zinc/49/44/77/1024494477.db2.gz JEQMJECHXXKHCD-KXBFYZLASA-N 2 1 349.434 3.671 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)[C@@H]1c1cccs1 ZINC000657886203 1033215285 /nfs/dbraw/zinc/21/52/85/1033215285.db2.gz CYFMNFFVFQLUJC-XJKSGUPXSA-N 2 1 328.472 3.808 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)[C@@H]1c1cccs1 ZINC000657886203 1033215304 /nfs/dbraw/zinc/21/53/04/1033215304.db2.gz CYFMNFFVFQLUJC-XJKSGUPXSA-N 2 1 328.472 3.808 20 0 EHADMP CCn1nc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000472053568 1024514838 /nfs/dbraw/zinc/51/48/38/1024514838.db2.gz QNKFGWUREQJXGR-HDICACEKSA-N 2 1 342.531 3.904 20 0 EHADMP Cc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)ccc1C(F)(F)F ZINC000414859541 1024518085 /nfs/dbraw/zinc/51/80/85/1024518085.db2.gz MYMAIBBDCYXJDT-UHFFFAOYSA-N 2 1 337.389 3.678 20 0 EHADMP C[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000414862234 1024531715 /nfs/dbraw/zinc/53/17/15/1024531715.db2.gz VHUIOAXGLUCRCB-UHFFFAOYSA-N 2 1 334.895 3.522 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](CC(C)C)c3ccccc3)C2)CC1 ZINC000474275702 1024666542 /nfs/dbraw/zinc/66/65/42/1024666542.db2.gz PEGCVTUYEGKKAL-VXKWHMMOSA-N 2 1 343.559 3.528 20 0 EHADMP C[C@H]1CC([NH2+]Cc2ccc3nccn3c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168031843 1024700434 /nfs/dbraw/zinc/70/04/34/1024700434.db2.gz CQVOVMZVLCRBLF-ROUUACIJSA-N 2 1 348.494 3.866 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1cc2ccncc2s1)Cc1ccccc1 ZINC000657296477 1024703642 /nfs/dbraw/zinc/70/36/42/1024703642.db2.gz VKUSXOATKNKJJQ-UHFFFAOYSA-N 2 1 325.481 3.908 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1cc2ccncc2s1)Cc1ccccc1 ZINC000657296477 1024703656 /nfs/dbraw/zinc/70/36/56/1024703656.db2.gz VKUSXOATKNKJJQ-UHFFFAOYSA-N 2 1 325.481 3.908 20 0 EHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000895682505 1024731576 /nfs/dbraw/zinc/73/15/76/1024731576.db2.gz GFIXMSBELBOOGL-KRWDZBQOSA-N 2 1 337.533 3.693 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000895682505 1024731588 /nfs/dbraw/zinc/73/15/88/1024731588.db2.gz GFIXMSBELBOOGL-KRWDZBQOSA-N 2 1 337.533 3.693 20 0 EHADMP Cc1ccc(C)c(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435428672 1024916573 /nfs/dbraw/zinc/91/65/73/1024916573.db2.gz SZOAWGITORAUNG-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1ccc(C)c(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435428672 1024916574 /nfs/dbraw/zinc/91/65/74/1024916574.db2.gz SZOAWGITORAUNG-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435440127 1024928745 /nfs/dbraw/zinc/92/87/45/1024928745.db2.gz ZQDPESBJXLHHBJ-SFHVURJKSA-N 2 1 326.488 3.570 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435440127 1024928750 /nfs/dbraw/zinc/92/87/50/1024928750.db2.gz ZQDPESBJXLHHBJ-SFHVURJKSA-N 2 1 326.488 3.570 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281388062 1024989166 /nfs/dbraw/zinc/98/91/66/1024989166.db2.gz XUOQFUGCNXXTLU-HXUWFJFHSA-N 2 1 327.447 3.913 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CCOCC1 ZINC000474465230 1025011147 /nfs/dbraw/zinc/01/11/47/1025011147.db2.gz CCKWUMUBBAUYGZ-QZTJIDSGSA-N 2 1 330.516 3.966 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000277412776 1025014564 /nfs/dbraw/zinc/01/45/64/1025014564.db2.gz IMJVMHWFYAGNKN-KRWDZBQOSA-N 2 1 332.879 3.646 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000277412776 1025014575 /nfs/dbraw/zinc/01/45/75/1025014575.db2.gz IMJVMHWFYAGNKN-KRWDZBQOSA-N 2 1 332.879 3.646 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474479102 1025017740 /nfs/dbraw/zinc/01/77/40/1025017740.db2.gz XQCIDIXLNOIDSM-TVFCKZIOSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474479102 1025017755 /nfs/dbraw/zinc/01/77/55/1025017755.db2.gz XQCIDIXLNOIDSM-TVFCKZIOSA-N 2 1 348.531 3.906 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2cccs2)cc1F ZINC000665258792 1025038028 /nfs/dbraw/zinc/03/80/28/1025038028.db2.gz LLYZWSCIILHDSQ-SKDZVZGDSA-N 2 1 348.487 3.562 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966522 1033260658 /nfs/dbraw/zinc/26/06/58/1033260658.db2.gz DHKZVOXGQHJLHO-NQIIRXRSSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966522 1033260670 /nfs/dbraw/zinc/26/06/70/1033260670.db2.gz DHKZVOXGQHJLHO-NQIIRXRSSA-N 2 1 335.495 3.799 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1c(C)cccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435737173 1025114366 /nfs/dbraw/zinc/11/43/66/1025114366.db2.gz FLJPNASXLCFYMQ-QGZVFWFLSA-N 2 1 329.513 3.680 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1c(C)cccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435737173 1025114374 /nfs/dbraw/zinc/11/43/74/1025114374.db2.gz FLJPNASXLCFYMQ-QGZVFWFLSA-N 2 1 329.513 3.680 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)C[NH+]1CCCC1 ZINC000435785941 1025148733 /nfs/dbraw/zinc/14/87/33/1025148733.db2.gz FHBMTBGNXCCRGX-GOSISDBHSA-N 2 1 338.499 3.671 20 0 EHADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351272 1025184486 /nfs/dbraw/zinc/18/44/86/1025184486.db2.gz FTYQLAXWCQIXFG-VQTJNVASSA-N 2 1 330.516 3.570 20 0 EHADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351272 1025184498 /nfs/dbraw/zinc/18/44/98/1025184498.db2.gz FTYQLAXWCQIXFG-VQTJNVASSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(-c2ccnn2C)c1 ZINC000897982511 1033277657 /nfs/dbraw/zinc/27/76/57/1033277657.db2.gz MFCGDISZNBCKJE-UHFFFAOYSA-N 2 1 338.499 3.502 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)CC1 ZINC000366957247 1025361953 /nfs/dbraw/zinc/36/19/53/1025361953.db2.gz ZZLFOODACVMCRE-UHFFFAOYSA-N 2 1 325.456 3.649 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281709669 1025376785 /nfs/dbraw/zinc/37/67/85/1025376785.db2.gz TYQXRGJNZAXOOR-RTBURBONSA-N 2 1 326.488 3.991 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000474727071 1025377258 /nfs/dbraw/zinc/37/72/58/1025377258.db2.gz QXIZLQGECXPLFU-CVEARBPZSA-N 2 1 334.504 3.660 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000474727071 1025377272 /nfs/dbraw/zinc/37/72/72/1025377272.db2.gz QXIZLQGECXPLFU-CVEARBPZSA-N 2 1 334.504 3.660 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434823 1025389621 /nfs/dbraw/zinc/38/96/21/1025389621.db2.gz AVUQNAGXAZIPAO-UXHICEINSA-N 2 1 342.527 3.978 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCO1 ZINC000521434823 1025389637 /nfs/dbraw/zinc/38/96/37/1025389637.db2.gz AVUQNAGXAZIPAO-UXHICEINSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767398 1025479661 /nfs/dbraw/zinc/47/96/61/1025479661.db2.gz YMSBLRMJCVKPMC-ZWKOTPCHSA-N 2 1 346.478 3.708 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1cc2c(cccc2F)[nH]1)Cc1ccccc1 ZINC000436279839 1025528744 /nfs/dbraw/zinc/52/87/44/1025528744.db2.gz KTRQZCFVWAYMMO-UHFFFAOYSA-N 2 1 325.431 3.919 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1(C)C ZINC000442861554 1025533784 /nfs/dbraw/zinc/53/37/84/1025533784.db2.gz DKWUKBINSARAAQ-HXUWFJFHSA-N 2 1 347.522 3.673 20 0 EHADMP Cc1cc2cc([C@@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc2cc1C ZINC000442878318 1025558171 /nfs/dbraw/zinc/55/81/71/1025558171.db2.gz SRQDXGPEJWQQML-QGZVFWFLSA-N 2 1 343.515 3.726 20 0 EHADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442876689 1025558464 /nfs/dbraw/zinc/55/84/64/1025558464.db2.gz VQPDUWZXFWMCTI-GOSISDBHSA-N 2 1 337.939 3.797 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299324 1025597613 /nfs/dbraw/zinc/59/76/13/1025597613.db2.gz KMJNHEMGDFGFDK-QRQLOZEOSA-N 2 1 338.499 3.760 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442918998 1025597977 /nfs/dbraw/zinc/59/79/77/1025597977.db2.gz ILCGZIIIUPQKNW-MRXNPFEDSA-N 2 1 346.906 3.703 20 0 EHADMP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960693 1025626884 /nfs/dbraw/zinc/62/68/84/1025626884.db2.gz ADDPQSKUXOXCNW-IHWFROFDSA-N 2 1 328.500 3.969 20 0 EHADMP CC[N@H+](C1CCOCC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168051029 1025753147 /nfs/dbraw/zinc/75/31/47/1025753147.db2.gz FJSZNOCKWIHTBL-RMFSNUHRSA-N 2 1 330.516 3.929 20 0 EHADMP CC[N@@H+](C1CCOCC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168051029 1025753164 /nfs/dbraw/zinc/75/31/64/1025753164.db2.gz FJSZNOCKWIHTBL-RMFSNUHRSA-N 2 1 330.516 3.929 20 0 EHADMP CC[NH+](C1CCOCC1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168051029 1025753179 /nfs/dbraw/zinc/75/31/79/1025753179.db2.gz FJSZNOCKWIHTBL-RMFSNUHRSA-N 2 1 330.516 3.929 20 0 EHADMP CC[NH+](C1CCOCC1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168051029 1025753191 /nfs/dbraw/zinc/75/31/91/1025753191.db2.gz FJSZNOCKWIHTBL-RMFSNUHRSA-N 2 1 330.516 3.929 20 0 EHADMP CCCOc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000121791646 1025777190 /nfs/dbraw/zinc/77/71/90/1025777190.db2.gz JAAWXQHJLUSYCR-UHFFFAOYSA-N 2 1 327.472 3.664 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(C)C ZINC000582300949 1025795943 /nfs/dbraw/zinc/79/59/43/1025795943.db2.gz LJOLCIRARWLNHF-HSALFYBXSA-N 2 1 330.516 3.569 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(C)C ZINC000582300949 1025795960 /nfs/dbraw/zinc/79/59/60/1025795960.db2.gz LJOLCIRARWLNHF-HSALFYBXSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H]1CC([NH2+]Cc2ccccc2CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015824 1025888698 /nfs/dbraw/zinc/88/86/98/1025888698.db2.gz SLFWZEUDCATXME-ROUUACIJSA-N 2 1 338.495 3.710 20 0 EHADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000655703381 1025979578 /nfs/dbraw/zinc/97/95/78/1025979578.db2.gz OZLOUDCEPIUOFP-UYAOXDASSA-N 2 1 348.494 3.897 20 0 EHADMP C[C@H]1CC([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053107 1026020627 /nfs/dbraw/zinc/02/06/27/1026020627.db2.gz MYWKKZRCPMDUTJ-OALUTQOASA-N 3 1 343.559 3.702 20 0 EHADMP C[C@H]1CC([N@H+](C)CC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168053107 1026020643 /nfs/dbraw/zinc/02/06/43/1026020643.db2.gz MYWKKZRCPMDUTJ-OALUTQOASA-N 2 1 343.559 3.702 20 0 EHADMP C[C@H]1CC([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168053107 1026020665 /nfs/dbraw/zinc/02/06/65/1026020665.db2.gz MYWKKZRCPMDUTJ-OALUTQOASA-N 2 1 343.559 3.702 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000474054081 1026094837 /nfs/dbraw/zinc/09/48/37/1026094837.db2.gz PYLKKRYECPYDER-HGJUEJDCSA-N 2 1 336.564 3.929 20 0 EHADMP CO[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059641 1026374378 /nfs/dbraw/zinc/37/43/78/1026374378.db2.gz GABUPBXRZZUARZ-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059641 1026374391 /nfs/dbraw/zinc/37/43/91/1026374391.db2.gz GABUPBXRZZUARZ-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059641 1026374403 /nfs/dbraw/zinc/37/44/03/1026374403.db2.gz GABUPBXRZZUARZ-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168059641 1026374413 /nfs/dbraw/zinc/37/44/13/1026374413.db2.gz GABUPBXRZZUARZ-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP COc1cccc([C@H]2C[C@H]([N@H+](C)CCCCn3cc[nH+]c3C)C2)c1 ZINC000452022409 1026440303 /nfs/dbraw/zinc/44/03/03/1026440303.db2.gz VFWHROCOKAKDGL-WGSAOQKQSA-N 2 1 327.472 3.858 20 0 EHADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCCn3cc[nH+]c3C)C2)c1 ZINC000452022409 1026440306 /nfs/dbraw/zinc/44/03/06/1026440306.db2.gz VFWHROCOKAKDGL-WGSAOQKQSA-N 2 1 327.472 3.858 20 0 EHADMP c1cn2c(n1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CCC2 ZINC000655713179 1026606363 /nfs/dbraw/zinc/60/63/63/1026606363.db2.gz XZGXHAPQQKWHBX-HXUWFJFHSA-N 2 1 338.499 3.884 20 0 EHADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931211 1026642435 /nfs/dbraw/zinc/64/24/35/1026642435.db2.gz YAKITPDBQFYAIZ-RXVVDRJESA-N 2 1 338.495 3.825 20 0 EHADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931241 1026642641 /nfs/dbraw/zinc/64/26/41/1026642641.db2.gz YAKITPDBQFYAIZ-WIYYLYMNSA-N 2 1 338.495 3.825 20 0 EHADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000122798479 1026733647 /nfs/dbraw/zinc/73/36/47/1026733647.db2.gz GWBJXHBVOBILDJ-SFHVURJKSA-N 2 1 341.524 3.867 20 0 EHADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000122798479 1026733663 /nfs/dbraw/zinc/73/36/63/1026733663.db2.gz GWBJXHBVOBILDJ-SFHVURJKSA-N 2 1 341.524 3.867 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168065875 1026776570 /nfs/dbraw/zinc/77/65/70/1026776570.db2.gz YRQKJRRVGXDCHR-ZZEDZQHJSA-N 2 1 328.500 3.681 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168065875 1026776583 /nfs/dbraw/zinc/77/65/83/1026776583.db2.gz YRQKJRRVGXDCHR-ZZEDZQHJSA-N 2 1 328.500 3.681 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168065875 1026776594 /nfs/dbraw/zinc/77/65/94/1026776594.db2.gz YRQKJRRVGXDCHR-ZZEDZQHJSA-N 2 1 328.500 3.681 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168065875 1026776599 /nfs/dbraw/zinc/77/65/99/1026776599.db2.gz YRQKJRRVGXDCHR-ZZEDZQHJSA-N 2 1 328.500 3.681 20 0 EHADMP COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000342716847 1026821887 /nfs/dbraw/zinc/82/18/87/1026821887.db2.gz XZWKJGJKSQLOMA-XPGWFJOJSA-N 2 1 327.472 3.762 20 0 EHADMP C[N@H+](CCC[NH2+][C@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000342740296 1026911551 /nfs/dbraw/zinc/91/15/51/1026911551.db2.gz KHUPQXBNZANIDA-FQEVSTJZSA-N 2 1 327.447 3.784 20 0 EHADMP C[N@@H+](CCC[NH2+][C@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000342740296 1026911559 /nfs/dbraw/zinc/91/15/59/1026911559.db2.gz KHUPQXBNZANIDA-FQEVSTJZSA-N 2 1 327.447 3.784 20 0 EHADMP Cc1ccc2[nH+]ccc(NC[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221891 1027093416 /nfs/dbraw/zinc/09/34/16/1027093416.db2.gz MQSHEFWQTGUFAQ-OALUTQOASA-N 2 1 347.462 3.591 20 0 EHADMP Cc1ccc2[nH+]ccc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2c1 ZINC000302228735 1027099109 /nfs/dbraw/zinc/09/91/09/1027099109.db2.gz QYTDWVDFDKXYQK-IBGZPJMESA-N 2 1 347.462 3.722 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000531709652 1027231738 /nfs/dbraw/zinc/23/17/38/1027231738.db2.gz KOELVVBIUJRVSU-AWEZNQCLSA-N 2 1 337.471 3.865 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000061016554 1027280825 /nfs/dbraw/zinc/28/08/25/1027280825.db2.gz FFYFHWVWOWGYDR-UHFFFAOYSA-N 2 1 342.430 3.651 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657562137 1027297156 /nfs/dbraw/zinc/29/71/56/1027297156.db2.gz NWNDTVNBXNHCAD-UIFIKXQLSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000657562137 1027297169 /nfs/dbraw/zinc/29/71/69/1027297169.db2.gz NWNDTVNBXNHCAD-UIFIKXQLSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453060467 1027308314 /nfs/dbraw/zinc/30/83/14/1027308314.db2.gz MHBJNEJYYUUWAQ-MRXNPFEDSA-N 2 1 338.499 3.612 20 0 EHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1nc(C(F)(F)F)cs1 ZINC000273283524 1027355936 /nfs/dbraw/zinc/35/59/36/1027355936.db2.gz LJRZRMOLNYYUMS-NSHDSACASA-N 2 1 332.395 3.798 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000453116696 1027390406 /nfs/dbraw/zinc/39/04/06/1027390406.db2.gz YIPPNCWGILRLJP-ZCNNSNEGSA-N 2 1 341.524 3.984 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000453116696 1027390417 /nfs/dbraw/zinc/39/04/17/1027390417.db2.gz YIPPNCWGILRLJP-ZCNNSNEGSA-N 2 1 341.524 3.984 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccncc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453150491 1027419752 /nfs/dbraw/zinc/41/97/52/1027419752.db2.gz SEADRFGOIUTKDL-FSSWDIPSSA-N 2 1 335.495 3.657 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)[C@H](C)C1 ZINC000453132611 1027438823 /nfs/dbraw/zinc/43/88/23/1027438823.db2.gz WLSGDYVJVJNKIS-GCJKJVERSA-N 2 1 344.543 3.661 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1nccs1 ZINC000273468772 1027443894 /nfs/dbraw/zinc/44/38/94/1027443894.db2.gz ROITXYSJSDPBLS-HNNXBMFYSA-N 2 1 347.503 3.682 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000420304186 1027453845 /nfs/dbraw/zinc/45/38/45/1027453845.db2.gz LFEXQVWHTFMCGD-FXAWDEMLSA-N 2 1 328.431 3.714 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307398 1027456610 /nfs/dbraw/zinc/45/66/10/1027456610.db2.gz BQXILOCUPVZCDX-QFBILLFUSA-N 2 1 326.488 3.754 20 0 EHADMP CCc1ccccc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420315511 1027460317 /nfs/dbraw/zinc/46/03/17/1027460317.db2.gz RSYHBVBPSRVPBC-GOSISDBHSA-N 2 1 341.524 3.850 20 0 EHADMP CCc1ccccc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420315511 1027460325 /nfs/dbraw/zinc/46/03/25/1027460325.db2.gz RSYHBVBPSRVPBC-GOSISDBHSA-N 2 1 341.524 3.850 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2nc(C)cs2)cc1 ZINC000420316221 1027463490 /nfs/dbraw/zinc/46/34/90/1027463490.db2.gz LUBNAJWDDSAYRL-AEFFLSMTSA-N 2 1 345.512 3.730 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2nc(C)cs2)cc1 ZINC000420316221 1027463497 /nfs/dbraw/zinc/46/34/97/1027463497.db2.gz LUBNAJWDDSAYRL-AEFFLSMTSA-N 2 1 345.512 3.730 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453160050 1027473316 /nfs/dbraw/zinc/47/33/16/1027473316.db2.gz MSRZYDKBWDARKM-HBMCJLEFSA-N 2 1 342.527 3.836 20 0 EHADMP Clc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325137 1027479153 /nfs/dbraw/zinc/47/91/53/1027479153.db2.gz IGMPXLSFCHUUAS-HOTGVXAUSA-N 2 1 345.874 3.817 20 0 EHADMP Clc1ccccc1-c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420324035 1027479822 /nfs/dbraw/zinc/47/98/22/1027479822.db2.gz ANWCLVPKPYBRGP-OKILXGFUSA-N 2 1 347.915 3.895 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331924 1027482253 /nfs/dbraw/zinc/48/22/53/1027482253.db2.gz CHAMPUPGIJEFAN-HUUCEWRRSA-N 2 1 331.485 3.533 20 0 EHADMP Clc1ccccc1OC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420366597 1027491344 /nfs/dbraw/zinc/49/13/44/1027491344.db2.gz GFQDJDBYPCMEFB-IRXDYDNUSA-N 2 1 336.907 3.821 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669233 1027786555 /nfs/dbraw/zinc/78/65/55/1027786555.db2.gz JUCQOIJHGUTVNI-DPVXCJKMSA-N 2 1 336.479 3.820 20 0 EHADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669233 1027786573 /nfs/dbraw/zinc/78/65/73/1027786573.db2.gz JUCQOIJHGUTVNI-DPVXCJKMSA-N 2 1 336.479 3.820 20 0 EHADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422692664 1027869909 /nfs/dbraw/zinc/86/99/09/1027869909.db2.gz KQUHEGKZORCNBQ-PCCBWWKXSA-N 2 1 329.532 3.539 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]3C3CC3)sc2C1 ZINC000414479318 1027880019 /nfs/dbraw/zinc/88/00/19/1027880019.db2.gz HHVAPBPGDGHLPM-JKSUJKDBSA-N 2 1 333.545 3.826 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]3C3CC3)sc2C1 ZINC000414479318 1027880040 /nfs/dbraw/zinc/88/00/40/1027880040.db2.gz HHVAPBPGDGHLPM-JKSUJKDBSA-N 2 1 333.545 3.826 20 0 EHADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422774245 1027930726 /nfs/dbraw/zinc/93/07/26/1027930726.db2.gz WFZALNWNFHMZTG-VQTJNVASSA-N 2 1 332.451 3.509 20 0 EHADMP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422787826 1027940941 /nfs/dbraw/zinc/94/09/41/1027940941.db2.gz QOGFVPUURHVYNG-GDIGMMSISA-N 2 1 332.875 3.576 20 0 EHADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc21 ZINC000422837834 1027976426 /nfs/dbraw/zinc/97/64/26/1027976426.db2.gz NBKXIVYWPFRYJO-CWFSZBLJSA-N 2 1 341.524 3.695 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839609 1027980118 /nfs/dbraw/zinc/98/01/18/1027980118.db2.gz QVNKNLZSRNDOCU-CEXWTWQISA-N 2 1 349.588 3.861 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422839609 1027980145 /nfs/dbraw/zinc/98/01/45/1027980145.db2.gz QVNKNLZSRNDOCU-CEXWTWQISA-N 2 1 349.588 3.861 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422911945 1028044680 /nfs/dbraw/zinc/04/46/80/1028044680.db2.gz LTZGGCPKIRHCLB-PWRODBHTSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422911945 1028044696 /nfs/dbraw/zinc/04/46/96/1028044696.db2.gz LTZGGCPKIRHCLB-PWRODBHTSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422911945 1028044714 /nfs/dbraw/zinc/04/47/14/1028044714.db2.gz LTZGGCPKIRHCLB-PWRODBHTSA-N 2 1 329.532 3.537 20 0 EHADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)o2)cs1 ZINC000422949122 1028085503 /nfs/dbraw/zinc/08/55/03/1028085503.db2.gz SWCQGQVOXNJAOX-OWCLPIDISA-N 2 1 331.485 3.722 20 0 EHADMP [NH3+][C@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)c2ccccc21 ZINC000422956192 1028095215 /nfs/dbraw/zinc/09/52/15/1028095215.db2.gz ONFZVSUIUGXCGZ-OALUTQOASA-N 2 1 333.435 3.738 20 0 EHADMP COc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2ccccc2OC)cc1 ZINC000423000708 1028116089 /nfs/dbraw/zinc/11/60/89/1028116089.db2.gz HEYWGJDCRRQCPM-MDOVXXIYSA-N 2 1 328.456 3.509 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423030106 1028138102 /nfs/dbraw/zinc/13/81/02/1028138102.db2.gz JAZQVTFXGCBQKW-APWZRJJASA-N 2 1 326.488 3.581 20 0 EHADMP COCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000502366552 1028145975 /nfs/dbraw/zinc/14/59/75/1028145975.db2.gz AWWKYRBQPANSDS-PCCBWWKXSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]([NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423061047 1028153839 /nfs/dbraw/zinc/15/38/39/1028153839.db2.gz PXHRHJICQSINJG-IAQYHMDHSA-N 2 1 330.369 3.606 20 0 EHADMP COCCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000347379215 1028163115 /nfs/dbraw/zinc/16/31/15/1028163115.db2.gz PHRRPZZWIYPZKF-NRFANRHFSA-N 2 1 330.516 3.791 20 0 EHADMP COCCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000347379215 1028163129 /nfs/dbraw/zinc/16/31/29/1028163129.db2.gz PHRRPZZWIYPZKF-NRFANRHFSA-N 2 1 330.516 3.791 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423097877 1028180540 /nfs/dbraw/zinc/18/05/40/1028180540.db2.gz RISHPCXEMFMANG-VNHYZAJKSA-N 2 1 340.309 3.806 20 0 EHADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423119807 1028191278 /nfs/dbraw/zinc/19/12/78/1028191278.db2.gz FLBVDRKXDBQAHK-CEXWTWQISA-N 2 1 345.531 3.907 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423146850 1028208727 /nfs/dbraw/zinc/20/87/27/1028208727.db2.gz BITJIFUWXCMWEK-OTNPHJDUSA-N 2 1 346.515 3.529 20 0 EHADMP Clc1cc(Br)ccc1[C@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC000423184661 1028228315 /nfs/dbraw/zinc/22/83/15/1028228315.db2.gz MNRPOBHPNWEUGK-OAHLLOKOSA-N 2 1 343.696 3.895 20 0 EHADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1Br ZINC000423168039 1028239493 /nfs/dbraw/zinc/23/94/93/1028239493.db2.gz UBVHRXMZGVUCTQ-SJORKVTESA-N 2 1 331.257 3.992 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000246332992 1028243319 /nfs/dbraw/zinc/24/33/19/1028243319.db2.gz GISDUSICZRCXAU-NDXORKPFSA-N 2 1 348.506 3.930 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(-c2ccncc2)cc1 ZINC000423191776 1028260520 /nfs/dbraw/zinc/26/05/20/1028260520.db2.gz TXTUIEHWEYYCLK-SFHVURJKSA-N 2 1 346.478 3.974 20 0 EHADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2Br)s1 ZINC000423192821 1028265335 /nfs/dbraw/zinc/26/53/35/1028265335.db2.gz UYZFVWFFMVKWFT-SNVBAGLBSA-N 2 1 325.275 3.787 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)ccc1OC(F)F ZINC000423203623 1028269383 /nfs/dbraw/zinc/26/93/83/1028269383.db2.gz SSTDUCQCPDZMSR-ZDUSSCGKSA-N 2 1 342.430 3.999 20 0 EHADMP C[NH2+]CCC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000423199822 1028271118 /nfs/dbraw/zinc/27/11/18/1028271118.db2.gz KSPBWAYJTWFJLT-QGZVFWFLSA-N 2 1 333.273 3.738 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423265771 1028304265 /nfs/dbraw/zinc/30/42/65/1028304265.db2.gz CZIMTXSCOGQQHH-STQMWFEESA-N 2 1 329.307 3.559 20 0 EHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(-c2ccccc2)nn1C ZINC000423261336 1028320665 /nfs/dbraw/zinc/32/06/65/1028320665.db2.gz JSBSZPZJNWLCQC-HNAYVOBHSA-N 2 1 326.488 3.645 20 0 EHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368396 1028323503 /nfs/dbraw/zinc/32/35/03/1028323503.db2.gz UPJALZJJUNPGHZ-CTNGQTDRSA-N 2 1 342.527 3.572 20 0 EHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421368396 1028323517 /nfs/dbraw/zinc/32/35/17/1028323517.db2.gz UPJALZJJUNPGHZ-CTNGQTDRSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000423293133 1028332935 /nfs/dbraw/zinc/33/29/35/1028332935.db2.gz PWAWBUQVKSUAEB-NXEZZACHSA-N 2 1 340.290 3.776 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1F ZINC000423293126 1028333176 /nfs/dbraw/zinc/33/31/76/1028333176.db2.gz PUTAGFZNDYIYOM-SJKOYZFVSA-N 2 1 336.838 3.976 20 0 EHADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272591 1028336035 /nfs/dbraw/zinc/33/60/35/1028336035.db2.gz JWFRVDMFXGTHKD-HUUCEWRRSA-N 2 1 333.476 3.900 20 0 EHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C3CC3)s2)cc1 ZINC000423278663 1028339675 /nfs/dbraw/zinc/33/96/75/1028339675.db2.gz QBUJUIHMTQRFML-BZNIZROVSA-N 2 1 331.485 3.515 20 0 EHADMP CSc1cccc([C@H]([NH2+]C[C@@H](C)C[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423307371 1028344021 /nfs/dbraw/zinc/34/40/21/1028344021.db2.gz NAWXOEHAKKUXEV-SGTLLEGYSA-N 2 1 336.451 3.961 20 0 EHADMP COc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH3+])c2ccccc2Cl)cc1OC ZINC000423311474 1028347015 /nfs/dbraw/zinc/34/70/15/1028347015.db2.gz TYSDZLPIKKHZCO-ORAYPTAESA-N 2 1 348.874 3.631 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423318139 1028349035 /nfs/dbraw/zinc/34/90/35/1028349035.db2.gz CEAJIGGYASXKIZ-ABAIWWIYSA-N 2 1 329.257 3.629 20 0 EHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3([NH3+])CCC3)s2)cc1 ZINC000423323466 1028361860 /nfs/dbraw/zinc/36/18/60/1028361860.db2.gz JLVQNMOTGOSGMA-LBPRGKRZSA-N 2 1 331.485 3.659 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414742806 1028424582 /nfs/dbraw/zinc/42/45/82/1028424582.db2.gz UHMGNMMTPGXFNG-PABBZOGXSA-N 2 1 336.479 3.950 20 0 EHADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423494097 1028479936 /nfs/dbraw/zinc/47/99/36/1028479936.db2.gz RONUGFPHTMGBGE-HZPDHXFCSA-N 2 1 330.394 3.515 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)ccc1F ZINC000423527417 1028500890 /nfs/dbraw/zinc/50/08/90/1028500890.db2.gz MLGSWKUHKNRJBE-PJIQEZCUSA-N 2 1 332.463 3.639 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423569331 1028520996 /nfs/dbraw/zinc/52/09/96/1028520996.db2.gz WJFICMSNMOUCMJ-LLVKDONJSA-N 2 1 337.261 3.988 20 0 EHADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523853135 1028662504 /nfs/dbraw/zinc/66/25/04/1028662504.db2.gz FLIPGHZYAGPEBC-WMZOPIPTSA-N 2 1 333.520 3.586 20 0 EHADMP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000246812765 1028697196 /nfs/dbraw/zinc/69/71/96/1028697196.db2.gz ARERRINFQMYNNK-MSOLQXFVSA-N 2 1 340.515 3.986 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000247201647 1028757389 /nfs/dbraw/zinc/75/73/89/1028757389.db2.gz WHQAJLOEEFJHRY-IXDOHACOSA-N 2 1 331.504 3.664 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000247201647 1028757398 /nfs/dbraw/zinc/75/73/98/1028757398.db2.gz WHQAJLOEEFJHRY-IXDOHACOSA-N 2 1 331.504 3.664 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC000532746519 1028762034 /nfs/dbraw/zinc/76/20/34/1028762034.db2.gz OKAXURNLINWIPA-AQNXPRMDSA-N 2 1 330.516 3.668 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CC12CCOCC2 ZINC000414773597 1028790691 /nfs/dbraw/zinc/79/06/91/1028790691.db2.gz ALNIRWOOSURKJG-GOSISDBHSA-N 2 1 342.508 3.602 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773642 1028792540 /nfs/dbraw/zinc/79/25/40/1028792540.db2.gz DQKCZOAIGJYXIP-STQMWFEESA-N 2 1 343.334 3.641 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)s2)c1 ZINC000414775751 1028834847 /nfs/dbraw/zinc/83/48/47/1028834847.db2.gz GQOXALJODOSSEF-KBPBESRZSA-N 2 1 333.526 3.693 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC12CCOCC2 ZINC000414777434 1028884645 /nfs/dbraw/zinc/88/46/45/1028884645.db2.gz FNDPYVSZZAWANQ-NRFANRHFSA-N 2 1 336.479 3.541 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000248449306 1028908336 /nfs/dbraw/zinc/90/83/36/1028908336.db2.gz OMXGNKVZZBIBQL-LPHOPBHVSA-N 2 1 342.483 3.650 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000248449306 1028908352 /nfs/dbraw/zinc/90/83/52/1028908352.db2.gz OMXGNKVZZBIBQL-LPHOPBHVSA-N 2 1 342.483 3.650 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424289281 1028931407 /nfs/dbraw/zinc/93/14/07/1028931407.db2.gz BVMLPLMTBSSBPT-MSOLQXFVSA-N 2 1 329.513 3.748 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000502980591 1028941135 /nfs/dbraw/zinc/94/11/35/1028941135.db2.gz LMRWNNQEKIDLQH-XJKCOSOUSA-N 2 1 325.294 3.625 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249032810 1028980159 /nfs/dbraw/zinc/98/01/59/1028980159.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 3 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249032810 1028980174 /nfs/dbraw/zinc/98/01/74/1028980174.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 3 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249032810 1028980188 /nfs/dbraw/zinc/98/01/88/1028980188.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 3 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249032810 1028980201 /nfs/dbraw/zinc/98/02/01/1028980201.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249032810 1028980213 /nfs/dbraw/zinc/98/02/13/1028980213.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249032810 1028980218 /nfs/dbraw/zinc/98/02/18/1028980218.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249032810 1028980222 /nfs/dbraw/zinc/98/02/22/1028980222.db2.gz RNKHURANOPTJFW-AMZGXZFVSA-N 2 1 341.543 3.633 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000245660140 1028983936 /nfs/dbraw/zinc/98/39/36/1028983936.db2.gz FJTWNIKHKOQWCL-SSTJLMRISA-N 2 1 328.500 3.729 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000245660138 1028984143 /nfs/dbraw/zinc/98/41/43/1028984143.db2.gz FJTWNIKHKOQWCL-HGJUEJDCSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000583147608 1028984258 /nfs/dbraw/zinc/98/42/58/1028984258.db2.gz OYNUEGJLVAIQHU-GOSISDBHSA-N 2 1 327.497 3.607 20 0 EHADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665572 1028987001 /nfs/dbraw/zinc/98/70/01/1028987001.db2.gz GOGVKNQKSDTXNJ-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665572 1028987017 /nfs/dbraw/zinc/98/70/17/1028987017.db2.gz GOGVKNQKSDTXNJ-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665572 1028987027 /nfs/dbraw/zinc/98/70/27/1028987027.db2.gz GOGVKNQKSDTXNJ-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665572 1028987045 /nfs/dbraw/zinc/98/70/45/1028987045.db2.gz GOGVKNQKSDTXNJ-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245665572 1028987061 /nfs/dbraw/zinc/98/70/61/1028987061.db2.gz GOGVKNQKSDTXNJ-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245665572 1028987078 /nfs/dbraw/zinc/98/70/78/1028987078.db2.gz GOGVKNQKSDTXNJ-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245665572 1028987091 /nfs/dbraw/zinc/98/70/91/1028987091.db2.gz GOGVKNQKSDTXNJ-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1c(Cl)cccc1N1CCCC1)CC[NH2+]CC2 ZINC000424388634 1029043239 /nfs/dbraw/zinc/04/32/39/1029043239.db2.gz ZLKFHPOYVYOJGK-INIZCTEOSA-N 2 1 347.934 3.904 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797966 1029148226 /nfs/dbraw/zinc/14/82/26/1029148226.db2.gz XADIMPHKCSGZCK-WMLDXEAASA-N 2 1 326.406 3.884 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271801753 1029176828 /nfs/dbraw/zinc/17/68/28/1029176828.db2.gz SHARGJPGSJOTHE-DNVCBOLYSA-N 2 1 329.488 3.560 20 0 EHADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245761761 1029256984 /nfs/dbraw/zinc/25/69/84/1029256984.db2.gz VRCKFEGOJYHQFV-CIAFKFPVSA-N 2 1 336.479 3.505 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074174 1029275883 /nfs/dbraw/zinc/27/58/83/1029275883.db2.gz WRUPMDQQTCFAIN-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074174 1029275900 /nfs/dbraw/zinc/27/59/00/1029275900.db2.gz WRUPMDQQTCFAIN-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074174 1029275919 /nfs/dbraw/zinc/27/59/19/1029275919.db2.gz WRUPMDQQTCFAIN-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000533074174 1029275936 /nfs/dbraw/zinc/27/59/36/1029275936.db2.gz WRUPMDQQTCFAIN-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074173 1029277666 /nfs/dbraw/zinc/27/76/66/1029277666.db2.gz WRUPMDQQTCFAIN-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074173 1029277683 /nfs/dbraw/zinc/27/76/83/1029277683.db2.gz WRUPMDQQTCFAIN-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074173 1029277703 /nfs/dbraw/zinc/27/77/03/1029277703.db2.gz WRUPMDQQTCFAIN-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000533074173 1029277713 /nfs/dbraw/zinc/27/77/13/1029277713.db2.gz WRUPMDQQTCFAIN-LRDDRELGSA-N 2 1 343.284 3.750 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000154854577 1029326168 /nfs/dbraw/zinc/32/61/68/1029326168.db2.gz LZKUMXNACPWSRE-LJQANCHMSA-N 2 1 336.907 3.808 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272197899 1029355443 /nfs/dbraw/zinc/35/54/43/1029355443.db2.gz NVNWABGEEAFLAL-MAUKXSAKSA-N 2 1 329.875 3.735 20 0 EHADMP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc2)cc1 ZINC000272294614 1029401367 /nfs/dbraw/zinc/40/13/67/1029401367.db2.gz OPCFROBBTFOKGW-OAQYLSRUSA-N 2 1 335.451 3.969 20 0 EHADMP c1csc(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000272443100 1029462002 /nfs/dbraw/zinc/46/20/02/1029462002.db2.gz UFLWZVIHTOGIFL-LDLYASANSA-N 2 1 341.524 3.861 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272538393 1029503411 /nfs/dbraw/zinc/50/34/11/1029503411.db2.gz KEYYGXDSBAEADA-MRXNPFEDSA-N 3 1 326.488 3.563 20 0 EHADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000155466135 1029531406 /nfs/dbraw/zinc/53/14/06/1029531406.db2.gz MNESKRJGOOCXNB-OAHLLOKOSA-N 2 1 348.450 3.990 20 0 EHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000193159614 1029546607 /nfs/dbraw/zinc/54/66/07/1029546607.db2.gz IZJGUQXFGXWEHL-KRWDZBQOSA-N 2 1 335.289 3.653 20 0 EHADMP Cc1nc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000272683327 1029566453 /nfs/dbraw/zinc/56/64/53/1029566453.db2.gz SXESSCWFISDCQW-APWZRJJASA-N 2 1 343.540 3.803 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000246008685 1029567715 /nfs/dbraw/zinc/56/77/15/1029567715.db2.gz KQJPBUCAURWCHE-HZPDHXFCSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000246008685 1029567721 /nfs/dbraw/zinc/56/77/21/1029567721.db2.gz KQJPBUCAURWCHE-HZPDHXFCSA-N 2 1 334.508 3.670 20 0 EHADMP Clc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000262240568 1029575172 /nfs/dbraw/zinc/57/51/72/1029575172.db2.gz PCXIFVFLAHZDHS-SFHVURJKSA-N 2 1 344.890 3.867 20 0 EHADMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000508696158 1029740782 /nfs/dbraw/zinc/74/07/82/1029740782.db2.gz IYVHCXKLEAYYFS-XWSHUIEDSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508696158 1029740786 /nfs/dbraw/zinc/74/07/86/1029740786.db2.gz IYVHCXKLEAYYFS-XWSHUIEDSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508696158 1029740790 /nfs/dbraw/zinc/74/07/90/1029740790.db2.gz IYVHCXKLEAYYFS-XWSHUIEDSA-N 2 1 343.559 3.607 20 0 EHADMP CCOc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC000126528545 1029741595 /nfs/dbraw/zinc/74/15/95/1029741595.db2.gz YKBIRYVHZGJQII-IYHXRUFHSA-N 2 1 330.472 3.514 20 0 EHADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269095 1029775994 /nfs/dbraw/zinc/77/59/94/1029775994.db2.gz ZKZMZVLVMCOGIE-SFHVURJKSA-N 2 1 330.422 3.919 20 0 EHADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269095 1029776002 /nfs/dbraw/zinc/77/60/02/1029776002.db2.gz ZKZMZVLVMCOGIE-SFHVURJKSA-N 2 1 330.422 3.919 20 0 EHADMP C[NH+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525269095 1029776011 /nfs/dbraw/zinc/77/60/11/1029776011.db2.gz ZKZMZVLVMCOGIE-SFHVURJKSA-N 2 1 330.422 3.919 20 0 EHADMP C[NH+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525269095 1029776018 /nfs/dbraw/zinc/77/60/18/1029776018.db2.gz ZKZMZVLVMCOGIE-SFHVURJKSA-N 2 1 330.422 3.919 20 0 EHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710648 1029780925 /nfs/dbraw/zinc/78/09/25/1029780925.db2.gz NBVXWHDOAVIUJJ-JBACZVJFSA-N 3 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710648 1029780931 /nfs/dbraw/zinc/78/09/31/1029780931.db2.gz NBVXWHDOAVIUJJ-JBACZVJFSA-N 2 1 345.575 3.853 20 0 EHADMP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710648 1029780937 /nfs/dbraw/zinc/78/09/37/1029780937.db2.gz NBVXWHDOAVIUJJ-JBACZVJFSA-N 2 1 345.575 3.853 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCC1 ZINC000446828588 1029812082 /nfs/dbraw/zinc/81/20/82/1029812082.db2.gz WSVVBNBKCUAGEJ-AOIWGVFYSA-N 2 1 336.545 3.926 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCC1 ZINC000446828588 1029812092 /nfs/dbraw/zinc/81/20/92/1029812092.db2.gz WSVVBNBKCUAGEJ-AOIWGVFYSA-N 2 1 336.545 3.926 20 0 EHADMP C[C@H](NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720001 1029816261 /nfs/dbraw/zinc/81/62/61/1029816261.db2.gz QXNWZHHSMWIGRJ-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)[NH+](CC)CC ZINC000446844400 1029825719 /nfs/dbraw/zinc/82/57/19/1029825719.db2.gz GTKBATOIEKRJKB-LJQANCHMSA-N 2 1 331.504 3.717 20 0 EHADMP O[C@@]1(C[NH2+]Cc2cccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000525463904 1029858703 /nfs/dbraw/zinc/85/87/03/1029858703.db2.gz DHVMRMWSFCIISL-HSZRJFAPSA-N 2 1 346.474 3.566 20 0 EHADMP O[C@@]1(C[NH2+]Cc2cccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000525463904 1029858708 /nfs/dbraw/zinc/85/87/08/1029858708.db2.gz DHVMRMWSFCIISL-HSZRJFAPSA-N 2 1 346.474 3.566 20 0 EHADMP Cc1ccc2c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc(O)c2n1 ZINC000429701422 1029955574 /nfs/dbraw/zinc/95/55/74/1029955574.db2.gz VQVWPNZLIUAUDY-KRWDZBQOSA-N 2 1 327.472 3.555 20 0 EHADMP Cc1ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)ccc(O)c2n1 ZINC000429701422 1029955588 /nfs/dbraw/zinc/95/55/88/1029955588.db2.gz VQVWPNZLIUAUDY-KRWDZBQOSA-N 2 1 327.472 3.555 20 0 EHADMP Cc1ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)ccc(O)c2n1 ZINC000429701422 1029955601 /nfs/dbraw/zinc/95/56/01/1029955601.db2.gz VQVWPNZLIUAUDY-KRWDZBQOSA-N 2 1 327.472 3.555 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705258 1029969294 /nfs/dbraw/zinc/96/92/94/1029969294.db2.gz ALQCADKEFNEUNP-QKNQBKEWSA-N 2 1 346.515 3.584 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000650705263 1029971010 /nfs/dbraw/zinc/97/10/10/1029971010.db2.gz APFHBVHAMUGWLW-CPUCHLNUSA-N 2 1 343.298 3.712 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000650708074 1030007702 /nfs/dbraw/zinc/00/77/02/1030007702.db2.gz STJIAODREHJTCY-HBUWYVDXSA-N 2 1 348.874 3.805 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c2nccn21 ZINC000453333714 1030111590 /nfs/dbraw/zinc/11/15/90/1030111590.db2.gz BWBKAJUOETVFIH-WQUXRXDGSA-N 2 1 338.499 3.922 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2ccc(Br)cc2Cl)[C@H](C)C1 ZINC000531954752 1030129441 /nfs/dbraw/zinc/12/94/41/1030129441.db2.gz ZHDTUEVLQZMDAY-ABAIWWIYSA-N 2 1 345.712 3.922 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2OC)[C@H](C)C1 ZINC000531966815 1030151916 /nfs/dbraw/zinc/15/19/16/1030151916.db2.gz FOLMCEDZUKHHOY-GGPKGHCWSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2OC)[C@H](C)C1 ZINC000531966815 1030151934 /nfs/dbraw/zinc/15/19/34/1030151934.db2.gz FOLMCEDZUKHHOY-GGPKGHCWSA-N 2 1 348.531 3.791 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)cc1 ZINC000090654637 1030154588 /nfs/dbraw/zinc/15/45/88/1030154588.db2.gz QYLBZYIHKJBJCL-GSHUGGBRSA-N 2 1 349.478 3.823 20 0 EHADMP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453384386 1030162765 /nfs/dbraw/zinc/16/27/65/1030162765.db2.gz ZSQCBPDAQTUGBY-XLIONFOSSA-N 2 1 348.556 3.907 20 0 EHADMP C[NH+]1CCCC(C)(C)[C@H]1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550797200 1030185480 /nfs/dbraw/zinc/18/54/80/1030185480.db2.gz OFYVRCIBELIXIP-SLFFLAALSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550797200 1030185500 /nfs/dbraw/zinc/18/55/00/1030185500.db2.gz OFYVRCIBELIXIP-SLFFLAALSA-N 2 1 329.532 3.532 20 0 EHADMP C[NH+]1CC[C@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550797200 1030185508 /nfs/dbraw/zinc/18/55/08/1030185508.db2.gz OFYVRCIBELIXIP-SLFFLAALSA-N 2 1 329.532 3.532 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1 ZINC000090810208 1030186581 /nfs/dbraw/zinc/18/65/81/1030186581.db2.gz YETOFMYLTFQZPU-HNAYVOBHSA-N 2 1 329.488 3.874 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000650723334 1030208911 /nfs/dbraw/zinc/20/89/11/1030208911.db2.gz LTPFDTSKAVBTNM-SLYNCCJLSA-N 2 1 340.467 3.807 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C1CC1 ZINC000453405868 1030216411 /nfs/dbraw/zinc/21/64/11/1030216411.db2.gz QQAFSDRZXWJTBU-MRXNPFEDSA-N 2 1 341.421 3.942 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000447514029 1030260402 /nfs/dbraw/zinc/26/04/02/1030260402.db2.gz ANHVXSPEBZKNGV-INIZCTEOSA-N 2 1 348.487 3.608 20 0 EHADMP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000453422052 1030276113 /nfs/dbraw/zinc/27/61/13/1030276113.db2.gz MLNXWYZGSLNVIF-SFHVURJKSA-N 2 1 348.506 3.627 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000343327935 1030307271 /nfs/dbraw/zinc/30/72/71/1030307271.db2.gz WTWZDADTHONAIH-QRWLVFNGSA-N 2 1 338.430 3.741 20 0 EHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000447579476 1030343809 /nfs/dbraw/zinc/34/38/09/1030343809.db2.gz KUMGIRLPTBHOAM-OWCLPIDISA-N 2 1 348.487 3.605 20 0 EHADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000092066530 1030368860 /nfs/dbraw/zinc/36/88/60/1030368860.db2.gz WNBHYXLOOFVDJX-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000092066530 1030368880 /nfs/dbraw/zinc/36/88/80/1030368880.db2.gz WNBHYXLOOFVDJX-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000092066530 1030368896 /nfs/dbraw/zinc/36/88/96/1030368896.db2.gz WNBHYXLOOFVDJX-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000092066530 1030368914 /nfs/dbraw/zinc/36/89/14/1030368914.db2.gz WNBHYXLOOFVDJX-MJGOQNOKSA-N 2 1 344.499 3.543 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000453588767 1030379242 /nfs/dbraw/zinc/37/92/42/1030379242.db2.gz VOTAXXGEOXZAMG-JTQLQIEISA-N 2 1 342.306 3.750 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453590742 1030381061 /nfs/dbraw/zinc/38/10/61/1030381061.db2.gz BDEGSWZPFUDPHU-UHFFFAOYSA-N 2 1 339.483 3.721 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000151105645 1030475919 /nfs/dbraw/zinc/47/59/19/1030475919.db2.gz GACLMRUWKZSBNZ-GJZGRUSLSA-N 2 1 326.431 3.979 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000151105645 1030475929 /nfs/dbraw/zinc/47/59/29/1030475929.db2.gz GACLMRUWKZSBNZ-GJZGRUSLSA-N 2 1 326.431 3.979 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000482556635 1030530446 /nfs/dbraw/zinc/53/04/46/1030530446.db2.gz PLLDQHZFTMGABJ-RTWAWAEBSA-N 2 1 335.580 3.743 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000482635899 1030610913 /nfs/dbraw/zinc/61/09/13/1030610913.db2.gz UYFFRRZELNVRNT-LSWJPFSZSA-N 2 1 349.522 3.766 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000482635899 1030610922 /nfs/dbraw/zinc/61/09/22/1030610922.db2.gz UYFFRRZELNVRNT-LSWJPFSZSA-N 2 1 349.522 3.766 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563878 1030627721 /nfs/dbraw/zinc/62/77/21/1030627721.db2.gz VVKMGKYXARHIOH-HXUWFJFHSA-N 2 1 338.499 3.835 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563878 1030627731 /nfs/dbraw/zinc/62/77/31/1030627731.db2.gz VVKMGKYXARHIOH-HXUWFJFHSA-N 2 1 338.499 3.835 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482954698 1030847204 /nfs/dbraw/zinc/84/72/04/1030847204.db2.gz XWVQXWQRXVNOMG-KSEOMHKRSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954698 1030847209 /nfs/dbraw/zinc/84/72/09/1030847209.db2.gz XWVQXWQRXVNOMG-KSEOMHKRSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954698 1030847217 /nfs/dbraw/zinc/84/72/17/1030847217.db2.gz XWVQXWQRXVNOMG-KSEOMHKRSA-N 2 1 343.559 3.751 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508788334 1030849592 /nfs/dbraw/zinc/84/95/92/1030849592.db2.gz FHEUFHVEJGHTFT-LJLZWOEMSA-N 2 1 330.516 3.900 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000508788334 1030849611 /nfs/dbraw/zinc/84/96/11/1030849611.db2.gz FHEUFHVEJGHTFT-LJLZWOEMSA-N 2 1 330.516 3.900 20 0 EHADMP CCc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000393272553 1030885741 /nfs/dbraw/zinc/88/57/41/1030885741.db2.gz AMXVIXCONXOAGV-RTWAWAEBSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272553 1030885753 /nfs/dbraw/zinc/88/57/53/1030885753.db2.gz AMXVIXCONXOAGV-RTWAWAEBSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272553 1030885819 /nfs/dbraw/zinc/88/58/19/1030885819.db2.gz AMXVIXCONXOAGV-RTWAWAEBSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000393272551 1030886460 /nfs/dbraw/zinc/88/64/60/1030886460.db2.gz AMXVIXCONXOAGV-LEWJYISDSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000393272551 1030886481 /nfs/dbraw/zinc/88/64/81/1030886481.db2.gz AMXVIXCONXOAGV-LEWJYISDSA-N 2 1 335.495 3.598 20 0 EHADMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000393272551 1030886526 /nfs/dbraw/zinc/88/65/26/1030886526.db2.gz AMXVIXCONXOAGV-LEWJYISDSA-N 2 1 335.495 3.598 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)oc2cc1C ZINC000537692652 1030975743 /nfs/dbraw/zinc/97/57/43/1030975743.db2.gz KZFGTQIBWYLZJF-FBBABVLZSA-N 2 1 342.483 3.733 20 0 EHADMP Cc1cc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)oc2cc1C ZINC000537692652 1030975757 /nfs/dbraw/zinc/97/57/57/1030975757.db2.gz KZFGTQIBWYLZJF-FBBABVLZSA-N 2 1 342.483 3.733 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000551067805 1031014260 /nfs/dbraw/zinc/01/42/60/1031014260.db2.gz PMBIOZBQTHVLQR-RBBKRZOGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000551067805 1031014265 /nfs/dbraw/zinc/01/42/65/1031014265.db2.gz PMBIOZBQTHVLQR-RBBKRZOGSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000551067805 1031014282 /nfs/dbraw/zinc/01/42/82/1031014282.db2.gz PMBIOZBQTHVLQR-RBBKRZOGSA-N 2 1 343.559 3.846 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000537695635 1031024752 /nfs/dbraw/zinc/02/47/52/1031024752.db2.gz AKHSJUKNOCRIFP-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000537695635 1031024767 /nfs/dbraw/zinc/02/47/67/1031024767.db2.gz AKHSJUKNOCRIFP-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000537695635 1031024778 /nfs/dbraw/zinc/02/47/78/1031024778.db2.gz AKHSJUKNOCRIFP-GDBMZVCRSA-N 2 1 328.378 3.501 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527645903 1031075319 /nfs/dbraw/zinc/07/53/19/1031075319.db2.gz QJHDEYBQJSXGRH-ZDUSSCGKSA-N 2 1 330.394 3.536 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527645903 1031075336 /nfs/dbraw/zinc/07/53/36/1031075336.db2.gz QJHDEYBQJSXGRH-ZDUSSCGKSA-N 2 1 330.394 3.536 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000194610252 1031079356 /nfs/dbraw/zinc/07/93/56/1031079356.db2.gz VVWIUAKHVIEJQQ-PGRDOPGGSA-N 2 1 338.495 3.537 20 0 EHADMP CC(C)[N@H+]1CC[C@H](CNCc2ccc(Br)c(F)c2F)C1 ZINC000527649992 1031081085 /nfs/dbraw/zinc/08/10/85/1031081085.db2.gz RXWSJKDXTBFFBL-LLVKDONJSA-N 2 1 347.247 3.547 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527651135 1031081655 /nfs/dbraw/zinc/08/16/55/1031081655.db2.gz XHGXLTNSMYMZKR-CYBMUJFWSA-N 2 1 330.394 3.534 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527651135 1031081671 /nfs/dbraw/zinc/08/16/71/1031081671.db2.gz XHGXLTNSMYMZKR-CYBMUJFWSA-N 2 1 330.394 3.534 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491907 1031184377 /nfs/dbraw/zinc/18/43/77/1031184377.db2.gz SBDTWICWYQFRKW-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491907 1031184387 /nfs/dbraw/zinc/18/43/87/1031184387.db2.gz SBDTWICWYQFRKW-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491907 1031184397 /nfs/dbraw/zinc/18/43/97/1031184397.db2.gz SBDTWICWYQFRKW-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000483491907 1031184409 /nfs/dbraw/zinc/18/44/09/1031184409.db2.gz SBDTWICWYQFRKW-XJKSGUPXSA-N 2 1 343.298 3.788 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@H]3CCCOC3)CC23CC3)cc1 ZINC000527738966 1031191284 /nfs/dbraw/zinc/19/12/84/1031191284.db2.gz LTSIPLGGMJROMM-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@H]3CCCOC3)CC23CC3)cc1 ZINC000527738966 1031191292 /nfs/dbraw/zinc/19/12/92/1031191292.db2.gz LTSIPLGGMJROMM-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCOC34CCCC4)C2)cc1 ZINC000903083689 1031225661 /nfs/dbraw/zinc/22/56/61/1031225661.db2.gz LUSZBEMZHRAPHG-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP CCOc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1OCC ZINC000527805751 1031278480 /nfs/dbraw/zinc/27/84/80/1031278480.db2.gz HSRDHQWFGRONIQ-GOSISDBHSA-N 2 1 332.488 3.591 20 0 EHADMP CCOc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1OCC ZINC000527805751 1031278497 /nfs/dbraw/zinc/27/84/97/1031278497.db2.gz HSRDHQWFGRONIQ-GOSISDBHSA-N 2 1 332.488 3.591 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000483730216 1031305470 /nfs/dbraw/zinc/30/54/70/1031305470.db2.gz OEUJWGBKAFHAKL-NWGLXNPWSA-N 2 1 334.479 3.933 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000483730216 1031305483 /nfs/dbraw/zinc/30/54/83/1031305483.db2.gz OEUJWGBKAFHAKL-NWGLXNPWSA-N 2 1 334.479 3.933 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000483730219 1031305651 /nfs/dbraw/zinc/30/56/51/1031305651.db2.gz OEUJWGBKAFHAKL-XPYUAMARSA-N 2 1 334.479 3.933 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000483730219 1031305665 /nfs/dbraw/zinc/30/56/65/1031305665.db2.gz OEUJWGBKAFHAKL-XPYUAMARSA-N 2 1 334.479 3.933 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CC34CC4)CC2)cs1 ZINC000527859168 1031338672 /nfs/dbraw/zinc/33/86/72/1031338672.db2.gz DCPPQPQVILQSNB-YOEHRIQHSA-N 2 1 333.545 3.696 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483818904 1031352309 /nfs/dbraw/zinc/35/23/09/1031352309.db2.gz IZVRZYQQTNNAJH-FQEVSTJZSA-N 2 1 343.559 3.504 20 0 EHADMP CN(c1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000668299796 1031425485 /nfs/dbraw/zinc/42/54/85/1031425485.db2.gz TWCGZMLXTXEAPD-RXVVDRJESA-N 2 1 327.516 3.591 20 0 EHADMP Fc1cc(-c2ccncc2)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997060 1031460636 /nfs/dbraw/zinc/46/06/36/1031460636.db2.gz UTNJGQNTYZWLJA-SFHVURJKSA-N 2 1 325.431 3.652 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161635 1031480555 /nfs/dbraw/zinc/48/05/55/1031480555.db2.gz NJUVGGDJBKVNNW-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161635 1031480559 /nfs/dbraw/zinc/48/05/59/1031480559.db2.gz NJUVGGDJBKVNNW-DENIHFKCSA-N 2 1 338.495 3.591 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999380 1031485550 /nfs/dbraw/zinc/48/55/50/1031485550.db2.gz ANAMQICVTFBYFN-AWEZNQCLSA-N 2 1 338.879 3.512 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000178037918 1031610357 /nfs/dbraw/zinc/61/03/57/1031610357.db2.gz JBLSHYQCOXXNEA-ZNMIVQPWSA-N 2 1 326.431 3.505 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SCC)C2)[C@H](C)C1 ZINC000484473285 1031620686 /nfs/dbraw/zinc/62/06/86/1031620686.db2.gz JKJORZPJEDGRTO-MKXGPGLRSA-N 2 1 342.593 3.777 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@@H]4CCCCO4)C3)C2)cc1 ZINC000347412374 1031641300 /nfs/dbraw/zinc/64/13/00/1031641300.db2.gz AFHAMNSZBJSDRS-VXKWHMMOSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCCCO4)C3)C2)cc1 ZINC000347412374 1031641306 /nfs/dbraw/zinc/64/13/06/1031641306.db2.gz AFHAMNSZBJSDRS-VXKWHMMOSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCCCO4)C3)C2)cc1 ZINC000347412374 1031641314 /nfs/dbraw/zinc/64/13/14/1031641314.db2.gz AFHAMNSZBJSDRS-VXKWHMMOSA-N 2 1 342.527 3.934 20 0 EHADMP CC[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCOC1 ZINC000484507211 1031652391 /nfs/dbraw/zinc/65/23/91/1031652391.db2.gz WNORHFWQJUUPIX-YZUZWNONSA-N 2 1 330.516 3.548 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000178705144 1031718333 /nfs/dbraw/zinc/71/83/33/1031718333.db2.gz UUQIOEAYYLHTCG-HNAYVOBHSA-N 2 1 327.472 3.948 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000551965700 1031806031 /nfs/dbraw/zinc/80/60/31/1031806031.db2.gz QKNDPGGUGHOIFD-QFIPXVFZSA-N 2 1 341.543 3.554 20 0 EHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000568651050 1032025993 /nfs/dbraw/zinc/02/59/93/1032025993.db2.gz GYLBITMIYOOXRA-ABSDTBQOSA-N 2 1 339.483 3.651 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000459401386 1032040824 /nfs/dbraw/zinc/04/08/24/1032040824.db2.gz XPLVJZDPUXIEQJ-KRWDZBQOSA-N 2 1 348.288 3.856 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC34CCCC4)CC2)cc1 ZINC000898110530 1033335421 /nfs/dbraw/zinc/33/54/21/1033335421.db2.gz FRKUYJUDXSTNGJ-HXUWFJFHSA-N 2 1 346.490 3.524 20 0 EHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457294 1033347142 /nfs/dbraw/zinc/34/71/42/1033347142.db2.gz AAWVAYXABXNYAT-PZJWPPBQSA-N 2 1 335.580 3.859 20 0 EHADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000594494859 1033395904 /nfs/dbraw/zinc/39/59/04/1033395904.db2.gz JJBQJERMUORVDU-UZLBHIALSA-N 2 1 344.499 3.561 20 0 EHADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000401160236 1033522520 /nfs/dbraw/zinc/52/25/20/1033522520.db2.gz OKSAXUFOGCJSCC-CTNGQTDRSA-N 2 1 337.511 3.884 20 0 EHADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000401160236 1033522530 /nfs/dbraw/zinc/52/25/30/1033522530.db2.gz OKSAXUFOGCJSCC-CTNGQTDRSA-N 2 1 337.511 3.884 20 0 EHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000685613128 1033625785 /nfs/dbraw/zinc/62/57/85/1033625785.db2.gz KAEIODSKNYEGEG-NMVBRADZSA-N 2 1 336.426 3.908 20 0 EHADMP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000595037524 1033657976 /nfs/dbraw/zinc/65/79/76/1033657976.db2.gz GYIGWVJNEVHMMI-HKUYNNGSSA-N 2 1 338.536 3.970 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CCO1 ZINC001168114799 1033667507 /nfs/dbraw/zinc/66/75/07/1033667507.db2.gz JHZANOXYJVDLFK-SJORKVTESA-N 2 1 334.529 3.604 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000685665217 1033714223 /nfs/dbraw/zinc/71/42/23/1033714223.db2.gz OINCMFZFGPYXJQ-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550644638 1033809349 /nfs/dbraw/zinc/80/93/49/1033809349.db2.gz WDHWZOQFEGHIGS-HLAWJBBLSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550644638 1033809360 /nfs/dbraw/zinc/80/93/60/1033809360.db2.gz WDHWZOQFEGHIGS-HLAWJBBLSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550644638 1033809368 /nfs/dbraw/zinc/80/93/68/1033809368.db2.gz WDHWZOQFEGHIGS-HLAWJBBLSA-N 2 1 329.532 3.532 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550644638 1033809382 /nfs/dbraw/zinc/80/93/82/1033809382.db2.gz WDHWZOQFEGHIGS-HLAWJBBLSA-N 3 1 329.532 3.532 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550644638 1033809389 /nfs/dbraw/zinc/80/93/89/1033809389.db2.gz WDHWZOQFEGHIGS-HLAWJBBLSA-N 3 1 329.532 3.532 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989725 1033813404 /nfs/dbraw/zinc/81/34/04/1033813404.db2.gz LSZDSTQAEFAHJH-RDJZCZTQSA-N 2 1 340.458 3.547 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989725 1033813415 /nfs/dbraw/zinc/81/34/15/1033813415.db2.gz LSZDSTQAEFAHJH-RDJZCZTQSA-N 2 1 340.458 3.547 20 0 EHADMP Cc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000655779615 1033835901 /nfs/dbraw/zinc/83/59/01/1033835901.db2.gz OVMUKJRHTCPZJQ-HXUWFJFHSA-N 2 1 328.500 3.607 20 0 EHADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019626 1033847924 /nfs/dbraw/zinc/84/79/24/1033847924.db2.gz SXJJNJMBIRDHNR-PMACEKPBSA-N 2 1 338.499 3.610 20 0 EHADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019626 1033847932 /nfs/dbraw/zinc/84/79/32/1033847932.db2.gz SXJJNJMBIRDHNR-PMACEKPBSA-N 2 1 338.499 3.610 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658054857 1033886187 /nfs/dbraw/zinc/88/61/87/1033886187.db2.gz FGQABJJHLACBNB-NPRSCZTNSA-N 2 1 342.527 3.692 20 0 EHADMP COC1CC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658054490 1033887867 /nfs/dbraw/zinc/88/78/67/1033887867.db2.gz CNOYNGFZPFSLNW-MFRAEPQCSA-N 2 1 328.500 3.587 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccs1 ZINC000658143131 1033990108 /nfs/dbraw/zinc/99/01/08/1033990108.db2.gz WVEPDLCMYPRVSP-MSOLQXFVSA-N 2 1 330.497 3.556 20 0 EHADMP Cc1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000322755633 1033990807 /nfs/dbraw/zinc/99/08/07/1033990807.db2.gz YIGIFLAWDQTSOL-YOGCLGLASA-N 2 1 329.307 3.534 20 0 EHADMP Cc1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000322755633 1033990819 /nfs/dbraw/zinc/99/08/19/1033990819.db2.gz YIGIFLAWDQTSOL-YOGCLGLASA-N 2 1 329.307 3.534 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658139105 1034001755 /nfs/dbraw/zinc/00/17/55/1034001755.db2.gz KVGAUJPJMQPZJL-RXVVDRJESA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658139399 1034004873 /nfs/dbraw/zinc/00/48/73/1034004873.db2.gz RFXZLITVSJNJJU-GTCCEBARSA-N 2 1 336.479 3.591 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450269562 1034015261 /nfs/dbraw/zinc/01/52/61/1034015261.db2.gz MYKDRXBXOZEWDU-WIYYLYMNSA-N 2 1 332.532 3.595 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000548861082 1034041157 /nfs/dbraw/zinc/04/11/57/1034041157.db2.gz BTZLLXYFKIUICD-YLJYHZDGSA-N 2 1 328.500 3.761 20 0 EHADMP CCOc1cc2c(cc1OCC)C[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168329458 1034193744 /nfs/dbraw/zinc/19/37/44/1034193744.db2.gz UWOXFKCVUPEPDC-UHFFFAOYSA-N 2 1 346.515 3.715 20 0 EHADMP CC1(C)OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658333774 1034204184 /nfs/dbraw/zinc/20/41/84/1034204184.db2.gz ZDDPINWDBAWRGH-WTGUMLROSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000658360226 1034241795 /nfs/dbraw/zinc/24/17/95/1034241795.db2.gz HMRFONPZSHHMEQ-SGLNWRHMSA-N 2 1 330.516 3.741 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000450409054 1034259980 /nfs/dbraw/zinc/25/99/80/1034259980.db2.gz WUUOIHQXIIDGFS-NXLVEIQXSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000450409054 1034259989 /nfs/dbraw/zinc/25/99/89/1034259989.db2.gz WUUOIHQXIIDGFS-NXLVEIQXSA-N 2 1 344.543 3.737 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000450409054 1034260000 /nfs/dbraw/zinc/26/00/00/1034260000.db2.gz WUUOIHQXIIDGFS-NXLVEIQXSA-N 2 1 344.543 3.737 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000450403970 1034281266 /nfs/dbraw/zinc/28/12/66/1034281266.db2.gz NIUTYSDDFHIJHV-OAHLLOKOSA-N 2 1 336.439 3.749 20 0 EHADMP c1nc([C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)n2c1CCCC2 ZINC000669714435 1034336692 /nfs/dbraw/zinc/33/66/92/1034336692.db2.gz PNQZMQUGOUVXCR-AWEZNQCLSA-N 2 1 342.512 3.544 20 0 EHADMP c1nc(CCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cs1 ZINC000450450176 1034354234 /nfs/dbraw/zinc/35/42/34/1034354234.db2.gz DRLXMAKTTKNVSC-FQEVSTJZSA-N 2 1 341.524 3.674 20 0 EHADMP c1nc(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cs1 ZINC000450450176 1034354269 /nfs/dbraw/zinc/35/42/69/1034354269.db2.gz DRLXMAKTTKNVSC-FQEVSTJZSA-N 2 1 341.524 3.674 20 0 EHADMP c1nc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cs1 ZINC000450450176 1034354280 /nfs/dbraw/zinc/35/42/80/1034354280.db2.gz DRLXMAKTTKNVSC-FQEVSTJZSA-N 2 1 341.524 3.674 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340210464 1034467585 /nfs/dbraw/zinc/46/75/85/1034467585.db2.gz RDIUIPRQGRELFP-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340210464 1034467593 /nfs/dbraw/zinc/46/75/93/1034467593.db2.gz RDIUIPRQGRELFP-UNMCSNQZSA-N 2 1 346.478 3.797 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000450540990 1034514858 /nfs/dbraw/zinc/51/48/58/1034514858.db2.gz PRVYXZZDOZRLQG-FQEVSTJZSA-N 2 1 325.456 3.554 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000534495259 1034605982 /nfs/dbraw/zinc/60/59/82/1034605982.db2.gz RPRHXDKRXLEPGS-SFHVURJKSA-N 2 1 349.588 3.867 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000224107196 1035211712 /nfs/dbraw/zinc/21/17/12/1035211712.db2.gz KOCYJMGAQQDPGM-DMDPSCGWSA-N 2 1 329.257 3.722 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414070081 1035435782 /nfs/dbraw/zinc/43/57/82/1035435782.db2.gz SBKOLOHPWQIJFH-MRXNPFEDSA-N 2 1 326.488 3.522 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCc1cccs1 ZINC000571696575 1035595556 /nfs/dbraw/zinc/59/55/56/1035595556.db2.gz BKXWARFLMWHAKI-ZBFHGGJFSA-N 2 1 346.496 3.647 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCc1cccs1 ZINC000571696575 1035595569 /nfs/dbraw/zinc/59/55/69/1035595569.db2.gz BKXWARFLMWHAKI-ZBFHGGJFSA-N 2 1 346.496 3.647 20 0 EHADMP C[C@H]1Cc2cc(Br)ccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001207402787 1035660076 /nfs/dbraw/zinc/66/00/76/1035660076.db2.gz OFGQVEPXXZHAPL-ZDUSSCGKSA-N 2 1 337.305 3.538 20 0 EHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000588178065 1035804974 /nfs/dbraw/zinc/80/49/74/1035804974.db2.gz HQMFDJPVFCTGRZ-SILNSSARSA-N 2 1 349.522 3.627 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000414169695 1035867627 /nfs/dbraw/zinc/86/76/27/1035867627.db2.gz BKISMMBVPZIFOK-UONOGXRCSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCCC1 ZINC000540988890 1035885495 /nfs/dbraw/zinc/88/54/95/1035885495.db2.gz KEENERYBXPYWRH-SFTDATJTSA-N 2 1 330.516 3.702 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000414184784 1035945904 /nfs/dbraw/zinc/94/59/04/1035945904.db2.gz OIOXWNDKWJRXGF-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000414184792 1035946568 /nfs/dbraw/zinc/94/65/68/1035946568.db2.gz OIOXWNDKWJRXGF-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000414184858 1035946816 /nfs/dbraw/zinc/94/68/16/1035946816.db2.gz OMWAWCVTSRIVEO-VXGBXAGGSA-N 2 1 331.323 3.893 20 0 EHADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572036575 1035952593 /nfs/dbraw/zinc/95/25/93/1035952593.db2.gz VXWYKBVGVCWBEI-LJQANCHMSA-N 2 1 330.516 3.572 20 0 EHADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572036575 1035952599 /nfs/dbraw/zinc/95/25/99/1035952599.db2.gz VXWYKBVGVCWBEI-LJQANCHMSA-N 2 1 330.516 3.572 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000414188611 1035956946 /nfs/dbraw/zinc/95/69/46/1035956946.db2.gz QMKAWWLABJREFT-FUHIMQAGSA-N 2 1 334.479 3.615 20 0 EHADMP C[C@H](c1ccccc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709369 1035980189 /nfs/dbraw/zinc/98/01/89/1035980189.db2.gz AIAIUNYRZAIGDH-IXDOHACOSA-N 2 1 334.479 3.708 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194677 1035995325 /nfs/dbraw/zinc/99/53/25/1035995325.db2.gz UONANMLIYUWZHM-KGLIPLIRSA-N 2 1 334.895 3.609 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000189263426 1036048071 /nfs/dbraw/zinc/04/80/71/1036048071.db2.gz ZXXFLIBFFUEHGT-DHCGTZGXSA-N 2 1 342.527 3.692 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)[C@@H](C)C1 ZINC000545310303 1036052341 /nfs/dbraw/zinc/05/23/41/1036052341.db2.gz DSPIGUFETZEQGV-FFGOWVMKSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000414244378 1036253991 /nfs/dbraw/zinc/25/39/91/1036253991.db2.gz QCKCQEYGUHZFLI-HZMBPMFUSA-N 2 1 331.685 3.532 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000414247668 1036253051 /nfs/dbraw/zinc/25/30/51/1036253051.db2.gz ULBUSEXEXIKVSR-HZMBPMFUSA-N 2 1 331.685 3.675 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000414247668 1036253059 /nfs/dbraw/zinc/25/30/59/1036253059.db2.gz ULBUSEXEXIKVSR-HZMBPMFUSA-N 2 1 331.685 3.675 20 0 EHADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492756778 1036274985 /nfs/dbraw/zinc/27/49/85/1036274985.db2.gz LSEXCMWOFYYLQE-UHFFFAOYSA-N 2 1 345.575 3.670 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000414251046 1036282604 /nfs/dbraw/zinc/28/26/04/1036282604.db2.gz GRBVDRQRWRHCFK-VJQWSGFBSA-N 2 1 328.500 3.585 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000190772112 1036290874 /nfs/dbraw/zinc/29/08/74/1036290874.db2.gz XKZKPMGUJGIHBW-SFHVURJKSA-N 2 1 326.488 3.617 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000191455859 1036387382 /nfs/dbraw/zinc/38/73/82/1036387382.db2.gz LSXAEEJSBTZZHV-HXUWFJFHSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000541546705 1036427298 /nfs/dbraw/zinc/42/72/98/1036427298.db2.gz JVWLCWGPBBIRNS-NYUBLWNDSA-N 2 1 330.516 3.822 20 0 EHADMP CCc1ncc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414282238 1036446091 /nfs/dbraw/zinc/44/60/91/1036446091.db2.gz HBJZTWXRDOUAMO-QGZVFWFLSA-N 2 1 338.499 3.561 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000414282238 1036446095 /nfs/dbraw/zinc/44/60/95/1036446095.db2.gz HBJZTWXRDOUAMO-QGZVFWFLSA-N 2 1 338.499 3.561 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414282238 1036446100 /nfs/dbraw/zinc/44/61/00/1036446100.db2.gz HBJZTWXRDOUAMO-QGZVFWFLSA-N 2 1 338.499 3.561 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1)C(C)C ZINC000175819202 1036482814 /nfs/dbraw/zinc/48/28/14/1036482814.db2.gz XRVGNXRUYQGLBW-KRWDZBQOSA-N 2 1 347.547 3.623 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000572768875 1036513815 /nfs/dbraw/zinc/51/38/15/1036513815.db2.gz JALDZGACXOHAIG-KBAYOESNSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000572768875 1036513825 /nfs/dbraw/zinc/51/38/25/1036513825.db2.gz JALDZGACXOHAIG-KBAYOESNSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000572768875 1036513835 /nfs/dbraw/zinc/51/38/35/1036513835.db2.gz JALDZGACXOHAIG-KBAYOESNSA-N 2 1 336.545 3.625 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)s1 ZINC000541742641 1036611634 /nfs/dbraw/zinc/61/16/34/1036611634.db2.gz IHNCMXQQNDGEPH-RDJZCZTQSA-N 2 1 330.497 3.522 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000541744633 1036614205 /nfs/dbraw/zinc/61/42/05/1036614205.db2.gz UKWGFNVUFUWSHF-AZUAARDMSA-N 2 1 349.950 3.593 20 0 EHADMP CC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769512 1036638051 /nfs/dbraw/zinc/63/80/51/1036638051.db2.gz IJJNPICHZFCQRU-HOJAQTOUSA-N 2 1 340.515 3.762 20 0 EHADMP Cc1ccc(CNCc2ccccc2C[N@H+](C)C2CCCCC2)nn1 ZINC000414320317 1036663262 /nfs/dbraw/zinc/66/32/62/1036663262.db2.gz SKCFNBOVVGRUEY-UHFFFAOYSA-N 2 1 338.499 3.839 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)nn1 ZINC000414320317 1036663273 /nfs/dbraw/zinc/66/32/73/1036663273.db2.gz SKCFNBOVVGRUEY-UHFFFAOYSA-N 2 1 338.499 3.839 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)nn1 ZINC000414320317 1036663286 /nfs/dbraw/zinc/66/32/86/1036663286.db2.gz SKCFNBOVVGRUEY-UHFFFAOYSA-N 2 1 338.499 3.839 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000464776135 1036763627 /nfs/dbraw/zinc/76/36/27/1036763627.db2.gz KHCIFNRFPPNGGP-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000464776135 1036763641 /nfs/dbraw/zinc/76/36/41/1036763641.db2.gz KHCIFNRFPPNGGP-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP C[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310836275 1036913824 /nfs/dbraw/zinc/91/38/24/1036913824.db2.gz MTJJMOOOAUPTGO-TZIWHRDSSA-N 2 1 338.495 3.956 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000647532545 1036934398 /nfs/dbraw/zinc/93/43/98/1036934398.db2.gz BABSSQSMPMFSCA-PZJWPPBQSA-N 2 1 348.494 3.506 20 0 EHADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000414370494 1037052469 /nfs/dbraw/zinc/05/24/69/1037052469.db2.gz WLDILIMVQRXTLX-FCHUYYIVSA-N 2 1 341.543 3.819 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647548820 1037134249 /nfs/dbraw/zinc/13/42/49/1037134249.db2.gz WCBWMOQQQHYIFU-HGIWEUDGSA-N 3 1 341.543 3.539 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000312281766 1037166220 /nfs/dbraw/zinc/16/62/20/1037166220.db2.gz WNOSKKJIBGQRAT-UHFFFAOYSA-N 2 1 343.284 3.941 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046204 1037168931 /nfs/dbraw/zinc/16/89/31/1037168931.db2.gz VAQNJNFWYMZZLR-HUUCEWRRSA-N 2 1 328.422 3.956 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4c3NCCC4)C2)cc1 ZINC000311027225 1037174128 /nfs/dbraw/zinc/17/41/28/1037174128.db2.gz PJBGBZOIAORRLR-LJQANCHMSA-N 2 1 335.495 3.656 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823422 1037244347 /nfs/dbraw/zinc/24/43/47/1037244347.db2.gz BGQXBDNPNMNLPW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823422 1037244358 /nfs/dbraw/zinc/24/43/58/1037244358.db2.gz BGQXBDNPNMNLPW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823422 1037244363 /nfs/dbraw/zinc/24/43/63/1037244363.db2.gz BGQXBDNPNMNLPW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823422 1037244364 /nfs/dbraw/zinc/24/43/64/1037244364.db2.gz BGQXBDNPNMNLPW-HNNXBMFYSA-N 2 1 330.394 3.749 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461546 1037365045 /nfs/dbraw/zinc/36/50/45/1037365045.db2.gz TXLWQDWGNFEPKW-LSTHTHJFSA-N 2 1 349.950 3.797 20 0 EHADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462804288 1037422975 /nfs/dbraw/zinc/42/29/75/1037422975.db2.gz PJNQCTMAAOFXLI-NHCUHLMSSA-N 2 1 344.543 3.875 20 0 EHADMP CO[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000462821484 1037444277 /nfs/dbraw/zinc/44/42/77/1037444277.db2.gz QZUFHMXGGITYGL-VTHDOGFWSA-N 2 1 328.500 3.587 20 0 EHADMP FC(F)(F)CC[NH+]1CCC(Nc2cc3c(c[nH+]2)CCCC3)CC1 ZINC000462948255 1037572645 /nfs/dbraw/zinc/57/26/45/1037572645.db2.gz BNZWNUJVZANAOR-UHFFFAOYSA-N 2 1 327.394 3.789 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000493887500 1037700699 /nfs/dbraw/zinc/70/06/99/1037700699.db2.gz FHBDVDIKARVJGU-BRWVUGGUSA-N 2 1 349.316 3.961 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928618 1037725890 /nfs/dbraw/zinc/72/58/90/1037725890.db2.gz VCIATHOVPGOMNL-CZUORRHYSA-N 2 1 337.305 3.676 20 0 EHADMP CCCC[N@H+](C)CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463125806 1037779701 /nfs/dbraw/zinc/77/97/01/1037779701.db2.gz XNOQCONKXKBVMQ-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP CCCC[N@@H+](C)CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463125806 1037779718 /nfs/dbraw/zinc/77/97/18/1037779718.db2.gz XNOQCONKXKBVMQ-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463143424 1037791522 /nfs/dbraw/zinc/79/15/22/1037791522.db2.gz SIGDQCHZOBRINM-CTNGQTDRSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182950640 1037924389 /nfs/dbraw/zinc/92/43/89/1037924389.db2.gz DRYULFSCQXNIBB-CQSZACIVSA-N 2 1 344.330 3.624 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183145692 1037933761 /nfs/dbraw/zinc/93/37/61/1037933761.db2.gz FUKQKQKHRNXPRP-QHAWAJNXSA-N 2 1 344.543 3.675 20 0 EHADMP C[C@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463284629 1037968681 /nfs/dbraw/zinc/96/86/81/1037968681.db2.gz HIXJIUKSFMEZDS-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000463273253 1037977195 /nfs/dbraw/zinc/97/71/95/1037977195.db2.gz ZEYBEUVLWXUJTO-URVUXULASA-N 2 1 343.559 3.894 20 0 EHADMP C[N@H+](Cc1ccc(Cl)c(Br)c1)CC1CC[NH+](C)CC1 ZINC000540496759 1038016431 /nfs/dbraw/zinc/01/64/31/1038016431.db2.gz SNYFLSLYAYYNHR-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CCN1C ZINC000123660138 1038053215 /nfs/dbraw/zinc/05/32/15/1038053215.db2.gz XAFXIKVQIVJQRV-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123660138 1038053233 /nfs/dbraw/zinc/05/32/33/1038053233.db2.gz XAFXIKVQIVJQRV-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123660138 1038053250 /nfs/dbraw/zinc/05/32/50/1038053250.db2.gz XAFXIKVQIVJQRV-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@@H+]1C ZINC000123660138 1038053271 /nfs/dbraw/zinc/05/32/71/1038053271.db2.gz XAFXIKVQIVJQRV-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000123660138 1038053289 /nfs/dbraw/zinc/05/32/89/1038053289.db2.gz XAFXIKVQIVJQRV-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123660138 1038053305 /nfs/dbraw/zinc/05/33/05/1038053305.db2.gz XAFXIKVQIVJQRV-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC[NH+]1C ZINC000123660138 1038053324 /nfs/dbraw/zinc/05/33/24/1038053324.db2.gz XAFXIKVQIVJQRV-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722952 1038491812 /nfs/dbraw/zinc/49/18/12/1038491812.db2.gz BTUAFQJKIJJOEY-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722952 1038491815 /nfs/dbraw/zinc/49/18/15/1038491815.db2.gz BTUAFQJKIJJOEY-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722952 1038491818 /nfs/dbraw/zinc/49/18/18/1038491818.db2.gz BTUAFQJKIJJOEY-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000538722952 1038491824 /nfs/dbraw/zinc/49/18/24/1038491824.db2.gz BTUAFQJKIJJOEY-OAHLLOKOSA-N 2 1 346.906 3.894 20 0 EHADMP CCCCOc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796524 1038531373 /nfs/dbraw/zinc/53/13/73/1038531373.db2.gz KIMVZCZOKFZKQI-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796524 1038531380 /nfs/dbraw/zinc/53/13/80/1038531380.db2.gz KIMVZCZOKFZKQI-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000538796524 1038531388 /nfs/dbraw/zinc/53/13/88/1038531388.db2.gz KIMVZCZOKFZKQI-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000538796524 1038531397 /nfs/dbraw/zinc/53/13/97/1038531397.db2.gz KIMVZCZOKFZKQI-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000538796524 1038531407 /nfs/dbraw/zinc/53/14/07/1038531407.db2.gz KIMVZCZOKFZKQI-RTBURBONSA-N 2 1 346.515 3.790 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cn(C)cn1 ZINC000924674198 1038558747 /nfs/dbraw/zinc/55/87/47/1038558747.db2.gz ZODAAONNKPIHPP-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cn(C)cn1 ZINC000924674198 1038558757 /nfs/dbraw/zinc/55/87/57/1038558757.db2.gz ZODAAONNKPIHPP-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C)(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000893225010 1038580915 /nfs/dbraw/zinc/58/09/15/1038580915.db2.gz HPSBZTWVPPVYKV-IDGBJLRDSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000378458987 1038640848 /nfs/dbraw/zinc/64/08/48/1038640848.db2.gz FLKHUEWBTQSIPS-FQEVSTJZSA-N 2 1 327.472 3.729 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2N(C)C)CC1 ZINC000539073786 1038671761 /nfs/dbraw/zinc/67/17/61/1038671761.db2.gz APIFIIAHSHZFHP-XLIONFOSSA-N 2 1 329.532 3.885 20 0 EHADMP [NH3+][C@H](CC1CC1)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000905303017 1038811748 /nfs/dbraw/zinc/81/17/48/1038811748.db2.gz BPDVZAUGLDMIND-QGZVFWFLSA-N 2 1 326.444 3.522 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903040 1038856118 /nfs/dbraw/zinc/85/61/18/1038856118.db2.gz PTKZSJMVSCOEKS-MOPGFXCFSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000479903040 1038856140 /nfs/dbraw/zinc/85/61/40/1038856140.db2.gz PTKZSJMVSCOEKS-MOPGFXCFSA-N 2 1 340.515 3.847 20 0 EHADMP CCC[N@H+](CC1CC=CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074386 1038939424 /nfs/dbraw/zinc/93/94/24/1038939424.db2.gz PGNSJYGEJFJTLU-UHFFFAOYSA-N 2 1 328.504 3.740 20 0 EHADMP CCC[N@@H+](CC1CC=CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074386 1038939432 /nfs/dbraw/zinc/93/94/32/1038939432.db2.gz PGNSJYGEJFJTLU-UHFFFAOYSA-N 2 1 328.504 3.740 20 0 EHADMP COCCSCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000488208001 1038966078 /nfs/dbraw/zinc/96/60/78/1038966078.db2.gz ZYZZALYHHXHIBR-GOSISDBHSA-N 2 1 342.593 3.733 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552110672 1038969362 /nfs/dbraw/zinc/96/93/62/1038969362.db2.gz ZBCLITADCLLXRB-DOIQENQNSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552110672 1038969380 /nfs/dbraw/zinc/96/93/80/1038969380.db2.gz ZBCLITADCLLXRB-DOIQENQNSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552110672 1038969400 /nfs/dbraw/zinc/96/94/00/1038969400.db2.gz ZBCLITADCLLXRB-DOIQENQNSA-N 2 1 328.500 3.654 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000668489239 1039104218 /nfs/dbraw/zinc/10/42/18/1039104218.db2.gz LAYHLDFOSYUUED-XMSQKQJNSA-N 2 1 338.495 3.537 20 0 EHADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000480080012 1039117816 /nfs/dbraw/zinc/11/78/16/1039117816.db2.gz KREJGZALTWJAQR-TZIWHRDSSA-N 2 1 331.548 3.605 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000488433389 1039176909 /nfs/dbraw/zinc/17/69/09/1039176909.db2.gz QZGDCTFWORIVOZ-MOPGFXCFSA-N 2 1 348.556 3.529 20 0 EHADMP Cc1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000898523152 1039201009 /nfs/dbraw/zinc/20/10/09/1039201009.db2.gz ZYPQSFSGJODPAX-CEXWTWQISA-N 2 1 341.524 3.842 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349711 1039251409 /nfs/dbraw/zinc/25/14/09/1039251409.db2.gz XQXSPWHVEKYKQE-XLIONFOSSA-N 2 1 344.524 3.937 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349711 1039251422 /nfs/dbraw/zinc/25/14/22/1039251422.db2.gz XQXSPWHVEKYKQE-XLIONFOSSA-N 2 1 344.524 3.937 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@@H]3CCCC[NH2+]3)nc2)c1 ZINC000906159071 1039329552 /nfs/dbraw/zinc/32/95/52/1039329552.db2.gz QKKHQASKQWWPOU-UZLBHIALSA-N 2 1 336.483 3.943 20 0 EHADMP Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000488736668 1039363544 /nfs/dbraw/zinc/36/35/44/1039363544.db2.gz VMDKYABNAVMDFX-CQSZACIVSA-N 2 1 327.447 3.993 20 0 EHADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000478547530 1039515145 /nfs/dbraw/zinc/51/51/45/1039515145.db2.gz MPVGGKYETMIZKK-NRFANRHFSA-N 2 1 338.495 3.867 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000480619341 1039779471 /nfs/dbraw/zinc/77/94/71/1039779471.db2.gz UCDADJPZXGDPBF-UIFIKXQLSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)s2)cc1 ZINC000261695492 1039978928 /nfs/dbraw/zinc/97/89/28/1039978928.db2.gz BFSJIUFJRXSPGC-UHFFFAOYSA-N 2 1 327.497 3.694 20 0 EHADMP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c(C)c2c1 ZINC000480769950 1039992134 /nfs/dbraw/zinc/99/21/34/1039992134.db2.gz YUPGSGGKSZIAFH-GJZGRUSLSA-N 2 1 328.456 3.885 20 0 EHADMP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c(C)c2c1 ZINC000480769950 1039992137 /nfs/dbraw/zinc/99/21/37/1039992137.db2.gz YUPGSGGKSZIAFH-GJZGRUSLSA-N 2 1 328.456 3.885 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@@H+]1C ZINC000489518728 1040040129 /nfs/dbraw/zinc/04/01/29/1040040129.db2.gz SLBMNWMXKREAMJ-ZTNFWEORSA-N 2 1 328.500 3.851 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC[N@H+]1C ZINC000489518728 1040040138 /nfs/dbraw/zinc/04/01/38/1040040138.db2.gz SLBMNWMXKREAMJ-ZTNFWEORSA-N 2 1 328.500 3.851 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489634416 1040113228 /nfs/dbraw/zinc/11/32/28/1040113228.db2.gz UALOBAUZSQRTJU-HXUWFJFHSA-N 2 1 328.500 3.853 20 0 EHADMP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1 ZINC000479399029 1040204464 /nfs/dbraw/zinc/20/44/64/1040204464.db2.gz VVBVZPPWSOUWIS-RXVVDRJESA-N 2 1 332.532 3.866 20 0 EHADMP CC(C)(C)OC1CC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000490171725 1040383900 /nfs/dbraw/zinc/38/39/00/1040383900.db2.gz HNMLXAXBXIGJQU-KLAILNCOSA-N 2 1 336.545 3.896 20 0 EHADMP CC(C)(C)OC1CC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000490171725 1040383909 /nfs/dbraw/zinc/38/39/09/1040383909.db2.gz HNMLXAXBXIGJQU-KLAILNCOSA-N 2 1 336.545 3.896 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CC4)[C@@H]3C2)cc1 ZINC000512648473 1040387789 /nfs/dbraw/zinc/38/77/89/1040387789.db2.gz NIUFBQVEQHBOCU-BHDDXSALSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1Br ZINC000500066801 1040422215 /nfs/dbraw/zinc/42/22/15/1040422215.db2.gz HHUVXBXJKNKVQC-UHFFFAOYSA-N 2 1 325.294 3.531 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512673988 1040487443 /nfs/dbraw/zinc/48/74/43/1040487443.db2.gz UMXPZAQIVLLWIU-DZFGPLHGSA-N 2 1 339.458 3.611 20 0 EHADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512673988 1040487452 /nfs/dbraw/zinc/48/74/52/1040487452.db2.gz UMXPZAQIVLLWIU-DZFGPLHGSA-N 2 1 339.458 3.611 20 0 EHADMP Cc1ccccc1C(F)(F)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668709627 1040534035 /nfs/dbraw/zinc/53/40/35/1040534035.db2.gz BALRACQKTKMNQK-UHFFFAOYSA-N 2 1 331.410 3.740 20 0 EHADMP CCOc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000486991437 1040633413 /nfs/dbraw/zinc/63/34/13/1040633413.db2.gz WDCZHILXYPBUNU-UHFFFAOYSA-N 2 1 342.458 3.762 20 0 EHADMP CCOc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000486991437 1040633426 /nfs/dbraw/zinc/63/34/26/1040633426.db2.gz WDCZHILXYPBUNU-UHFFFAOYSA-N 2 1 342.458 3.762 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000486991437 1040633436 /nfs/dbraw/zinc/63/34/36/1040633436.db2.gz WDCZHILXYPBUNU-UHFFFAOYSA-N 2 1 342.458 3.762 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000486991437 1040633441 /nfs/dbraw/zinc/63/34/41/1040633441.db2.gz WDCZHILXYPBUNU-UHFFFAOYSA-N 2 1 342.458 3.762 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C2CC2)[NH+](C)C)cc1F ZINC000481304475 1040644759 /nfs/dbraw/zinc/64/47/59/1040644759.db2.gz IWODTXSMYOWCHI-UHOSZYNNSA-N 2 1 334.479 3.790 20 0 EHADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311104888 1040676762 /nfs/dbraw/zinc/67/67/62/1040676762.db2.gz QPBDLUZTNMINMY-OSTWSGHESA-N 2 1 342.527 3.690 20 0 EHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255648 1040861154 /nfs/dbraw/zinc/86/11/54/1040861154.db2.gz UEGPOWHPGKGWPE-HNNXBMFYSA-N 2 1 349.438 3.596 20 0 EHADMP Cc1cc2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)oc2cc1C ZINC000668785577 1040996433 /nfs/dbraw/zinc/99/64/33/1040996433.db2.gz SJGIOEKYJPHLHX-SFHVURJKSA-N 2 1 330.472 3.592 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)oc2cc1C ZINC000668785577 1040996460 /nfs/dbraw/zinc/99/64/60/1040996460.db2.gz SJGIOEKYJPHLHX-SFHVURJKSA-N 2 1 330.472 3.592 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398093923 1041013413 /nfs/dbraw/zinc/01/34/13/1041013413.db2.gz KCPKOMZCJNHUCI-KSSFIOAISA-N 2 1 329.513 3.760 20 0 EHADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398093923 1041013429 /nfs/dbraw/zinc/01/34/29/1041013429.db2.gz KCPKOMZCJNHUCI-KSSFIOAISA-N 2 1 329.513 3.760 20 0 EHADMP Cc1cc(Cl)ccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212144891 1041113611 /nfs/dbraw/zinc/11/36/11/1041113611.db2.gz GLUSHUSXTFARPF-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1Cl ZINC001212145353 1041168668 /nfs/dbraw/zinc/16/86/68/1041168668.db2.gz QGDMGRHAWNHARD-HNNXBMFYSA-N 2 1 336.867 3.867 20 0 EHADMP Cc1cc([C@@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390625226 1041173203 /nfs/dbraw/zinc/17/32/03/1041173203.db2.gz CYPDZOORVXJIOS-YLJYHZDGSA-N 2 1 344.524 3.998 20 0 EHADMP Cc1cc([C@@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000390625225 1041174751 /nfs/dbraw/zinc/17/47/51/1041174751.db2.gz CYPDZOORVXJIOS-XLIONFOSSA-N 2 1 344.524 3.998 20 0 EHADMP c1ccc(CCOCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052005737 1041222401 /nfs/dbraw/zinc/22/24/01/1041222401.db2.gz WXSSLPVPXAVIRK-UHFFFAOYSA-N 2 1 330.516 3.586 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000512974120 1041332209 /nfs/dbraw/zinc/33/22/09/1041332209.db2.gz CVIHMLXOPZBXOG-UGKGYDQZSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000512974120 1041332224 /nfs/dbraw/zinc/33/22/24/1041332224.db2.gz CVIHMLXOPZBXOG-UGKGYDQZSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000512974119 1041333507 /nfs/dbraw/zinc/33/35/07/1041333507.db2.gz CVIHMLXOPZBXOG-SIKLNZKXSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000512974119 1041333512 /nfs/dbraw/zinc/33/35/12/1041333512.db2.gz CVIHMLXOPZBXOG-SIKLNZKXSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000195132700 1041388035 /nfs/dbraw/zinc/38/80/35/1041388035.db2.gz IYXWPYXLYROUEM-RDJZCZTQSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000195132700 1041388038 /nfs/dbraw/zinc/38/80/38/1041388038.db2.gz IYXWPYXLYROUEM-RDJZCZTQSA-N 2 1 329.875 3.908 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC(C)(C)C1 ZINC000511769995 1041587503 /nfs/dbraw/zinc/58/75/03/1041587503.db2.gz NRCYIKARRRAVEN-FXAWDEMLSA-N 2 1 330.516 3.823 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21)C1CC[NH+](C)CC1 ZINC000511872899 1041798185 /nfs/dbraw/zinc/79/81/85/1041798185.db2.gz NAHRUIISTMRNOA-PGRDOPGGSA-N 2 1 341.543 3.982 20 0 EHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000040227348 1042120727 /nfs/dbraw/zinc/12/07/27/1042120727.db2.gz PBVHVXISMXUQCJ-QGZVFWFLSA-N 2 1 335.289 3.653 20 0 EHADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000651865024 1042124866 /nfs/dbraw/zinc/12/48/66/1042124866.db2.gz LJRUXYLZUUMKDM-HXUWFJFHSA-N 2 1 345.575 3.650 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652150911 1042242029 /nfs/dbraw/zinc/24/20/29/1042242029.db2.gz CCZHORZUCXVIPS-LEWJYISDSA-N 2 1 345.531 3.530 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@H]1CC[NH3+] ZINC000652355931 1042415945 /nfs/dbraw/zinc/41/59/45/1042415945.db2.gz NHOLCAWQAHFSLJ-APWZRJJASA-N 2 1 325.456 3.823 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164647952 1042427582 /nfs/dbraw/zinc/42/75/82/1042427582.db2.gz ZYRVERGYPBZASP-MRXNPFEDSA-N 2 1 337.471 3.817 20 0 EHADMP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662291884 1042662678 /nfs/dbraw/zinc/66/26/78/1042662678.db2.gz AJAPCIGAJZOPHE-QGZVFWFLSA-N 2 1 343.446 3.692 20 0 EHADMP c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)oc1-c1ccccc1 ZINC000662293806 1042663612 /nfs/dbraw/zinc/66/36/12/1042663612.db2.gz OCYHBLDBYLITAE-GOSISDBHSA-N 2 1 325.456 3.553 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1F ZINC000662306197 1042673011 /nfs/dbraw/zinc/67/30/11/1042673011.db2.gz PBVCVBKNZHCJPF-FQEVSTJZSA-N 2 1 340.442 3.817 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc2)n1 ZINC000662312939 1042677767 /nfs/dbraw/zinc/67/77/67/1042677767.db2.gz ICXPVSPEWHMANN-IIBYNOLFSA-N 2 1 340.515 3.829 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313722 1042682066 /nfs/dbraw/zinc/68/20/66/1042682066.db2.gz YDFYMYMFYKXOOW-VQIMIIECSA-N 2 1 345.531 3.896 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(C)C ZINC000663347633 1042738143 /nfs/dbraw/zinc/73/81/43/1042738143.db2.gz QVQCOJNLROSNQH-LJQANCHMSA-N 2 1 346.515 3.694 20 0 EHADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165338483 1042783199 /nfs/dbraw/zinc/78/31/99/1042783199.db2.gz HRIIOMSASJDHCS-AZUAARDMSA-N 2 1 340.515 3.679 20 0 EHADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165338483 1042783202 /nfs/dbraw/zinc/78/32/02/1042783202.db2.gz HRIIOMSASJDHCS-AZUAARDMSA-N 2 1 340.515 3.679 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663465132 1042884362 /nfs/dbraw/zinc/88/43/62/1042884362.db2.gz IDQAEKWCOKAPFR-DZGCQCFKSA-N 2 1 337.895 3.516 20 0 EHADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663465132 1042884367 /nfs/dbraw/zinc/88/43/67/1042884367.db2.gz IDQAEKWCOKAPFR-DZGCQCFKSA-N 2 1 337.895 3.516 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467202 1042890359 /nfs/dbraw/zinc/89/03/59/1042890359.db2.gz DIQMLKIBIDCZAQ-WBVHZDCISA-N 2 1 333.495 3.664 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467202 1042890360 /nfs/dbraw/zinc/89/03/60/1042890360.db2.gz DIQMLKIBIDCZAQ-WBVHZDCISA-N 2 1 333.495 3.664 20 0 EHADMP c1ccc([C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)c2ccccn2)cc1 ZINC000663471755 1042900997 /nfs/dbraw/zinc/90/09/97/1042900997.db2.gz XVCMPGQUPJUXDC-DENIHFKCSA-N 2 1 335.495 3.883 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471813 1042902646 /nfs/dbraw/zinc/90/26/46/1042902646.db2.gz YMCMXKSBYNTTIP-AEFFLSMTSA-N 2 1 340.515 3.596 20 0 EHADMP COCC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000563125118 1042915508 /nfs/dbraw/zinc/91/55/08/1042915508.db2.gz LFYKXZVWBZZTKK-ACDBMABISA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000432368026 1043011324 /nfs/dbraw/zinc/01/13/24/1043011324.db2.gz NPEQSUBXQCIWBZ-SFHVURJKSA-N 2 1 346.515 3.599 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001167838785 1043051898 /nfs/dbraw/zinc/05/18/98/1043051898.db2.gz WQJNHLVUHZGLAE-VQTJNVASSA-N 2 1 331.548 3.876 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001167841845 1043132301 /nfs/dbraw/zinc/13/23/01/1043132301.db2.gz SHWLEWDEOCBZIX-KRWDZBQOSA-N 2 1 338.499 3.970 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001167841845 1043132306 /nfs/dbraw/zinc/13/23/06/1043132306.db2.gz SHWLEWDEOCBZIX-KRWDZBQOSA-N 2 1 338.499 3.970 20 0 EHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420559 1043148094 /nfs/dbraw/zinc/14/80/94/1043148094.db2.gz KZVYEWMVJKECOI-HNAYVOBHSA-N 2 1 340.458 3.752 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420209 1043149780 /nfs/dbraw/zinc/14/97/80/1043149780.db2.gz JSBZTYHEHOBLBE-HOJAQTOUSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CCCO1 ZINC000432420209 1043149782 /nfs/dbraw/zinc/14/97/82/1043149782.db2.gz JSBZTYHEHOBLBE-HOJAQTOUSA-N 2 1 330.516 3.659 20 0 EHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418094 1043151222 /nfs/dbraw/zinc/15/12/22/1043151222.db2.gz PWTYTKXMPHOGMQ-UZLBHIALSA-N 2 1 346.515 3.508 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001167842335 1043160600 /nfs/dbraw/zinc/16/06/00/1043160600.db2.gz WNKQFUVLPFUZRD-DNVCBOLYSA-N 2 1 340.458 3.849 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001167842335 1043160607 /nfs/dbraw/zinc/16/06/07/1043160607.db2.gz WNKQFUVLPFUZRD-DNVCBOLYSA-N 2 1 340.458 3.849 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CCCO1 ZINC000432425375 1043173904 /nfs/dbraw/zinc/17/39/04/1043173904.db2.gz USHZIEUNZBDIFS-UXPWSPDFSA-N 2 1 334.479 3.552 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CCCO1 ZINC000432425375 1043173911 /nfs/dbraw/zinc/17/39/11/1043173911.db2.gz USHZIEUNZBDIFS-UXPWSPDFSA-N 2 1 334.479 3.552 20 0 EHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432426425 1043177316 /nfs/dbraw/zinc/17/73/16/1043177316.db2.gz ZYRQAKTTZKQAKA-HUUCEWRRSA-N 2 1 340.895 3.500 20 0 EHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432426425 1043177320 /nfs/dbraw/zinc/17/73/20/1043177320.db2.gz ZYRQAKTTZKQAKA-HUUCEWRRSA-N 2 1 340.895 3.500 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279021664 1043205330 /nfs/dbraw/zinc/20/53/30/1043205330.db2.gz UXEIBRRBJBFFGH-ZFWWWQNUSA-N 2 1 335.398 3.788 20 0 EHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000344194884 1043406306 /nfs/dbraw/zinc/40/63/06/1043406306.db2.gz CCAUZZMXLAPWBL-IEBWSBKVSA-N 2 1 343.515 3.587 20 0 EHADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000261551960 1044455455 /nfs/dbraw/zinc/45/54/55/1044455455.db2.gz FYEMEGRPPATHDB-BHDDXSALSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000267528374 1125733328 /nfs/dbraw/zinc/73/33/28/1125733328.db2.gz QWGITGQTHUIQQX-QIJUGHKUSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000267528374 1125733335 /nfs/dbraw/zinc/73/33/35/1125733335.db2.gz QWGITGQTHUIQQX-QIJUGHKUSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000155017879 1125775562 /nfs/dbraw/zinc/77/55/62/1125775562.db2.gz OQENWDUSTNXWJC-GCJKJVERSA-N 2 1 338.495 3.833 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338018932 1126830044 /nfs/dbraw/zinc/83/00/44/1126830044.db2.gz NLYPJDWBTCZNIR-JXFKEZNVSA-N 2 1 340.515 3.680 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338018932 1126830049 /nfs/dbraw/zinc/83/00/49/1126830049.db2.gz NLYPJDWBTCZNIR-JXFKEZNVSA-N 2 1 340.515 3.680 20 0 EHADMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000174400240 1126851933 /nfs/dbraw/zinc/85/19/33/1126851933.db2.gz QLUHAWBYMIUZRQ-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000174400240 1126851938 /nfs/dbraw/zinc/85/19/38/1126851938.db2.gz QLUHAWBYMIUZRQ-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000174400240 1126851943 /nfs/dbraw/zinc/85/19/43/1126851943.db2.gz QLUHAWBYMIUZRQ-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000174400240 1126851948 /nfs/dbraw/zinc/85/19/48/1126851948.db2.gz QLUHAWBYMIUZRQ-IBGZPJMESA-N 2 1 342.458 3.788 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301145 1126885187 /nfs/dbraw/zinc/88/51/87/1126885187.db2.gz HRQDJWUNZIWLBE-DYESRHJHSA-N 2 1 348.494 3.606 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671301145 1126885192 /nfs/dbraw/zinc/88/51/92/1126885192.db2.gz HRQDJWUNZIWLBE-DYESRHJHSA-N 2 1 348.494 3.606 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1(C)C ZINC000623364129 1126930950 /nfs/dbraw/zinc/93/09/50/1126930950.db2.gz UWGWVNDKTAUJHP-IBGZPJMESA-N 2 1 343.515 3.778 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1(C)C ZINC000623364129 1126930953 /nfs/dbraw/zinc/93/09/53/1126930953.db2.gz UWGWVNDKTAUJHP-IBGZPJMESA-N 2 1 343.515 3.778 20 0 EHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623423969 1126951446 /nfs/dbraw/zinc/95/14/46/1126951446.db2.gz YUKRTAFONIGUQF-ROUUACIJSA-N 2 1 333.495 3.565 20 0 EHADMP CC(C)Oc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623525548 1126975447 /nfs/dbraw/zinc/97/54/47/1126975447.db2.gz RCNAMLBKVTYYHL-UYAOXDASSA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525548 1126975448 /nfs/dbraw/zinc/97/54/48/1126975448.db2.gz RCNAMLBKVTYYHL-UYAOXDASSA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525548 1126975449 /nfs/dbraw/zinc/97/54/49/1126975449.db2.gz RCNAMLBKVTYYHL-UYAOXDASSA-N 2 1 347.547 3.539 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657698 1127007156 /nfs/dbraw/zinc/00/71/56/1127007156.db2.gz WUUQIUNNVOXKCQ-KRWDZBQOSA-N 2 1 339.483 3.579 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657698 1127007160 /nfs/dbraw/zinc/00/71/60/1127007160.db2.gz WUUQIUNNVOXKCQ-KRWDZBQOSA-N 2 1 339.483 3.579 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000180633594 1127177572 /nfs/dbraw/zinc/17/75/72/1127177572.db2.gz CDKNFQVFSLHMEQ-SFHVURJKSA-N 2 1 340.515 3.811 20 0 EHADMP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1Cl ZINC000623800321 1127182237 /nfs/dbraw/zinc/18/22/37/1127182237.db2.gz DRUXEPQUFCZHLN-ZIAGYGMSSA-N 2 1 335.854 3.719 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861045 1127200635 /nfs/dbraw/zinc/20/06/35/1127200635.db2.gz NBQVAYXOIYFWAZ-RYUDHWBXSA-N 2 1 330.369 3.979 20 0 EHADMP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000181481056 1127278902 /nfs/dbraw/zinc/27/89/02/1127278902.db2.gz YVBQIZMBBGJOFQ-LSDHHAIUSA-N 2 1 328.456 3.966 20 0 EHADMP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000181481056 1127278906 /nfs/dbraw/zinc/27/89/06/1127278906.db2.gz YVBQIZMBBGJOFQ-LSDHHAIUSA-N 2 1 328.456 3.966 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1Br ZINC000182113229 1127312452 /nfs/dbraw/zinc/31/24/52/1127312452.db2.gz FPZWXYJFFJPJKY-JSGCOSHPSA-N 2 1 341.293 3.593 20 0 EHADMP C[C@@H](CC1CCCCC1)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183331643 1127372883 /nfs/dbraw/zinc/37/28/83/1127372883.db2.gz DIRNQWIEKIQOMB-FPOVZHCZSA-N 2 1 335.580 3.695 20 0 EHADMP C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663826 1127429572 /nfs/dbraw/zinc/42/95/72/1127429572.db2.gz ISHAPCCFRARFIS-IRXDYDNUSA-N 2 1 334.479 3.837 20 0 EHADMP C[C@H]([NH2+]CCOc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758608 1127431402 /nfs/dbraw/zinc/43/14/02/1127431402.db2.gz AXWLTOBXJTWAHA-HOTGVXAUSA-N 2 1 336.907 3.961 20 0 EHADMP COc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000381461292 1127485528 /nfs/dbraw/zinc/48/55/28/1127485528.db2.gz VWYKCWPBFPJCMG-LEWJYISDSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000381461292 1127485531 /nfs/dbraw/zinc/48/55/31/1127485531.db2.gz VWYKCWPBFPJCMG-LEWJYISDSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000381461292 1127485533 /nfs/dbraw/zinc/48/55/33/1127485533.db2.gz VWYKCWPBFPJCMG-LEWJYISDSA-N 2 1 336.479 3.649 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764829553 1127536993 /nfs/dbraw/zinc/53/69/93/1127536993.db2.gz XSZUUVMRCUZINI-QGZVFWFLSA-N 2 1 326.488 3.643 20 0 EHADMP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383716636 1127554067 /nfs/dbraw/zinc/55/40/67/1127554067.db2.gz UTPCBNGBJHICDV-QUCCMNQESA-N 2 1 330.516 3.572 20 0 EHADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000383765967 1127556959 /nfs/dbraw/zinc/55/69/59/1127556959.db2.gz FSLFBMBPQPRCHI-INDMIFKZSA-N 2 1 334.454 3.922 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000765358989 1127601434 /nfs/dbraw/zinc/60/14/34/1127601434.db2.gz JMYRWUOMQKYMSY-HLIPFELVSA-N 2 1 336.495 3.656 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000921549796 1127726863 /nfs/dbraw/zinc/72/68/63/1127726863.db2.gz QULPQCVDZUKCCG-UHFFFAOYSA-N 2 1 334.895 3.757 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1F ZINC000921589740 1127758185 /nfs/dbraw/zinc/75/81/85/1127758185.db2.gz OGJHCDLKZFUQDJ-KZNAEPCWSA-N 2 1 343.446 3.615 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000671739333 1128175316 /nfs/dbraw/zinc/17/53/16/1128175316.db2.gz XQLDIBKJVKMPDM-IKGGRYGDSA-N 2 1 326.406 3.710 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000066960583 1128230180 /nfs/dbraw/zinc/23/01/80/1128230180.db2.gz PQIFVRUCRUTJPH-HNNXBMFYSA-N 2 1 336.524 3.872 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000066960583 1128230182 /nfs/dbraw/zinc/23/01/82/1128230182.db2.gz PQIFVRUCRUTJPH-HNNXBMFYSA-N 2 1 336.524 3.872 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000066960773 1128230261 /nfs/dbraw/zinc/23/02/61/1128230261.db2.gz JHBHVFYGWIVIMX-GOSISDBHSA-N 2 1 345.531 3.766 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000072694599 1128304382 /nfs/dbraw/zinc/30/43/82/1128304382.db2.gz FXQZXKVNOKUKEM-UHFFFAOYSA-N 2 1 347.528 3.619 20 0 EHADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168618026 1128463320 /nfs/dbraw/zinc/46/33/20/1128463320.db2.gz VMTQAGKEZFWDSE-VDRZXAFZSA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168618026 1128463324 /nfs/dbraw/zinc/46/33/24/1128463324.db2.gz VMTQAGKEZFWDSE-VDRZXAFZSA-N 2 1 344.499 3.520 20 0 EHADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000401030876 1128553510 /nfs/dbraw/zinc/55/35/10/1128553510.db2.gz MHRRGQTXULZOBC-KNQAVFIVSA-N 2 1 337.511 3.741 20 0 EHADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2c(n1)CCCC2 ZINC001648814249 1120046857 /nfs/dbraw/zinc/04/68/57/1120046857.db2.gz JHUWEHPDICASGU-IRXDYDNUSA-N 2 1 329.532 3.726 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000109443481 1120112781 /nfs/dbraw/zinc/11/27/81/1120112781.db2.gz XBOKJCAJCVTNNS-HXUWFJFHSA-N 2 1 343.515 3.528 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000542948619 1128896914 /nfs/dbraw/zinc/89/69/14/1128896914.db2.gz XJUMNOUVMSTBCF-MRXNPFEDSA-N 2 1 326.525 3.551 20 0 EHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Br)c(C)s2)CC1 ZINC000227910964 1120190558 /nfs/dbraw/zinc/19/05/58/1120190558.db2.gz ZLULQWRDSLWOQS-UHFFFAOYSA-N 2 1 331.323 3.781 20 0 EHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186150706 1120445775 /nfs/dbraw/zinc/44/57/75/1120445775.db2.gz PSFYJXYGWOQDEX-SJLPKXTDSA-N 2 1 344.524 3.972 20 0 EHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000186150706 1120445778 /nfs/dbraw/zinc/44/57/78/1120445778.db2.gz PSFYJXYGWOQDEX-SJLPKXTDSA-N 2 1 344.524 3.972 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000191376757 1120670577 /nfs/dbraw/zinc/67/05/77/1120670577.db2.gz IMYKHWQBNUGICY-SFHVURJKSA-N 2 1 343.515 3.842 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168467581 1120723878 /nfs/dbraw/zinc/72/38/78/1120723878.db2.gz IWKYMIZQIFVEON-NDXORKPFSA-N 2 1 341.474 3.924 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C/c2ccccc2)[C@H](C)C1 ZINC000192684549 1120743076 /nfs/dbraw/zinc/74/30/76/1120743076.db2.gz ZFFTVWGTRFXQFW-VOQYTTBISA-N 2 1 330.516 3.817 20 0 EHADMP CCO[C@H](C)c1nc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000076726859 1128944786 /nfs/dbraw/zinc/94/47/86/1128944786.db2.gz VWWSWASQEGEXOU-OAHLLOKOSA-N 2 1 339.549 3.793 20 0 EHADMP CC[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670114308 1120883741 /nfs/dbraw/zinc/88/37/41/1120883741.db2.gz JTWVJNJEJIGBLJ-ROUSISIUSA-N 2 1 336.907 3.614 20 0 EHADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000542519772 1120888534 /nfs/dbraw/zinc/88/85/34/1120888534.db2.gz LKSCKKRPEDXDKX-YADHBBJMSA-N 2 1 344.543 3.568 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000232649202 1121136008 /nfs/dbraw/zinc/13/60/08/1121136008.db2.gz OMGZMEXTFNTWCX-HOCLYGCPSA-N 2 1 339.321 3.700 20 0 EHADMP O[C@H]1CCCC[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311033881 1128977285 /nfs/dbraw/zinc/97/72/85/1128977285.db2.gz TXBNOUIDIVEWRH-RTWAWAEBSA-N 2 1 342.527 3.526 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650379 1121397212 /nfs/dbraw/zinc/39/72/12/1121397212.db2.gz QJOIKKCCQFPCHR-YLJYHZDGSA-N 2 1 346.515 3.553 20 0 EHADMP CC(C)c1cc(Br)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205155781 1121636672 /nfs/dbraw/zinc/63/66/72/1121636672.db2.gz DPJUCYQSZPYANK-SWLSCSKDSA-N 2 1 325.294 3.599 20 0 EHADMP CC(C)c1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205155781 1121636675 /nfs/dbraw/zinc/63/66/75/1121636675.db2.gz DPJUCYQSZPYANK-SWLSCSKDSA-N 2 1 325.294 3.599 20 0 EHADMP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763209999 1121883279 /nfs/dbraw/zinc/88/32/79/1121883279.db2.gz JBSGBFYVUDENQI-QUCCMNQESA-N 2 1 349.563 3.569 20 0 EHADMP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763209999 1121883287 /nfs/dbraw/zinc/88/32/87/1121883287.db2.gz JBSGBFYVUDENQI-QUCCMNQESA-N 2 1 349.563 3.569 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398134449 1121971455 /nfs/dbraw/zinc/97/14/55/1121971455.db2.gz KNOGTSRSOWTLEX-ZINXYGQCSA-N 2 1 335.495 3.631 20 0 EHADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000127912213 1122514897 /nfs/dbraw/zinc/51/48/97/1122514897.db2.gz SZBNELKMDACELS-MQVJKMGUSA-N 2 1 337.305 3.862 20 0 EHADMP COCc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000128719766 1122654300 /nfs/dbraw/zinc/65/43/00/1122654300.db2.gz BRNRTLZBLTZZPC-KBXCAEBGSA-N 2 1 334.485 3.660 20 0 EHADMP COCc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)o1 ZINC000128719766 1122654303 /nfs/dbraw/zinc/65/43/03/1122654303.db2.gz BRNRTLZBLTZZPC-KBXCAEBGSA-N 2 1 334.485 3.660 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000068722525 1122688563 /nfs/dbraw/zinc/68/85/63/1122688563.db2.gz GAFXHZLXEBFBKO-AWEZNQCLSA-N 2 1 341.480 3.988 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000068722525 1122688566 /nfs/dbraw/zinc/68/85/66/1122688566.db2.gz GAFXHZLXEBFBKO-AWEZNQCLSA-N 2 1 341.480 3.988 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000556091044 1122812086 /nfs/dbraw/zinc/81/20/86/1122812086.db2.gz KKIBZUCTNICMDQ-GUDVDZBRSA-N 2 1 346.563 3.937 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000556091044 1122812093 /nfs/dbraw/zinc/81/20/93/1122812093.db2.gz KKIBZUCTNICMDQ-GUDVDZBRSA-N 2 1 346.563 3.937 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556177638 1122860762 /nfs/dbraw/zinc/86/07/62/1122860762.db2.gz FPAQQTPLLPPABS-FXAWDEMLSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556177638 1122860769 /nfs/dbraw/zinc/86/07/69/1122860769.db2.gz FPAQQTPLLPPABS-FXAWDEMLSA-N 2 1 330.422 3.932 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000556232889 1122885579 /nfs/dbraw/zinc/88/55/79/1122885579.db2.gz LMJHSCISTKLELV-UKAVVXHISA-N 2 1 342.527 3.549 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233822 1122886709 /nfs/dbraw/zinc/88/67/09/1122886709.db2.gz SIXGWJFQTOXIKM-NQIIRXRSSA-N 2 1 342.527 3.693 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000352649371 1123067261 /nfs/dbraw/zinc/06/72/61/1123067261.db2.gz KFWMFXDZIMISDD-UHFFFAOYSA-N 2 1 340.515 3.747 20 0 EHADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556872534 1123162164 /nfs/dbraw/zinc/16/21/64/1123162164.db2.gz PHSRGXJKVFUJTN-BHIFYINESA-N 3 1 343.559 3.609 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]3C(C)C)CC2)cs1 ZINC000556872903 1123163294 /nfs/dbraw/zinc/16/32/94/1123163294.db2.gz SEKSORXAWYGORL-ZWKOTPCHSA-N 2 1 335.561 3.942 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321619 1123218910 /nfs/dbraw/zinc/21/89/10/1123218910.db2.gz SIGGRSMNFFJECA-GPMSIDNRSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321619 1123218913 /nfs/dbraw/zinc/21/89/13/1123218913.db2.gz SIGGRSMNFFJECA-GPMSIDNRSA-N 2 1 331.504 3.611 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132346034 1123220424 /nfs/dbraw/zinc/22/04/24/1123220424.db2.gz JRAWTUFMMKAZBS-HNNXBMFYSA-N 2 1 329.410 3.655 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245419075 1123820982 /nfs/dbraw/zinc/82/09/82/1123820982.db2.gz GVJKXLWKTNLZKV-BBRMVZONSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245419075 1123820986 /nfs/dbraw/zinc/82/09/86/1123820986.db2.gz GVJKXLWKTNLZKV-BBRMVZONSA-N 2 1 325.294 3.611 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245419075 1123820975 /nfs/dbraw/zinc/82/09/75/1123820975.db2.gz GVJKXLWKTNLZKV-BBRMVZONSA-N 2 1 325.294 3.611 20 0 EHADMP CCCCOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245757163 1123946883 /nfs/dbraw/zinc/94/68/83/1123946883.db2.gz VBSVJTNWVZAMPD-WKCHPHFGSA-N 2 1 330.516 3.978 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000245933678 1123984422 /nfs/dbraw/zinc/98/44/22/1123984422.db2.gz SWNJQTPRWPURCF-NZSAHSFTSA-N 2 1 348.556 3.897 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000245933678 1123984430 /nfs/dbraw/zinc/98/44/30/1123984430.db2.gz SWNJQTPRWPURCF-NZSAHSFTSA-N 2 1 348.556 3.897 20 0 EHADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000246199057 1124050162 /nfs/dbraw/zinc/05/01/62/1124050162.db2.gz XPRZEKYNLRQFIX-KGLIPLIRSA-N 2 1 334.895 3.609 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379649442 1124084536 /nfs/dbraw/zinc/08/45/36/1124084536.db2.gz OURNMTLHTVKPBK-UIFIKXQLSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379649442 1124084538 /nfs/dbraw/zinc/08/45/38/1124084538.db2.gz OURNMTLHTVKPBK-UIFIKXQLSA-N 2 1 330.516 3.570 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246550759 1124509081 /nfs/dbraw/zinc/50/90/81/1124509081.db2.gz WPBFQDUMWKFBGQ-YYIAUSFCSA-N 2 1 336.545 3.742 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246998408 1124577260 /nfs/dbraw/zinc/57/72/60/1124577260.db2.gz WTGJYWIXLUIMGK-MAUKXSAKSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246998408 1124577272 /nfs/dbraw/zinc/57/72/72/1124577272.db2.gz WTGJYWIXLUIMGK-MAUKXSAKSA-N 2 1 336.426 3.737 20 0 EHADMP FC(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246998408 1124577278 /nfs/dbraw/zinc/57/72/78/1124577278.db2.gz WTGJYWIXLUIMGK-MAUKXSAKSA-N 2 1 336.426 3.737 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247107147 1124588915 /nfs/dbraw/zinc/58/89/15/1124588915.db2.gz QHZOLQBAZUKGEY-ZBFHGGJFSA-N 2 1 346.906 3.827 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000248142527 1124642205 /nfs/dbraw/zinc/64/22/05/1124642205.db2.gz PUZFKNOGODKTMO-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000248142527 1124642208 /nfs/dbraw/zinc/64/22/08/1124642208.db2.gz PUZFKNOGODKTMO-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000248142527 1124642213 /nfs/dbraw/zinc/64/22/13/1124642213.db2.gz PUZFKNOGODKTMO-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP Brc1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000248689021 1124688865 /nfs/dbraw/zinc/68/88/65/1124688865.db2.gz ABKQAAGRGSDJTP-HOCLYGCPSA-N 2 1 348.288 3.647 20 0 EHADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000249045222 1124730673 /nfs/dbraw/zinc/73/06/73/1124730673.db2.gz VVWIUAKHVIEJQQ-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP FC(F)(F)c1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000249187850 1124744186 /nfs/dbraw/zinc/74/41/86/1124744186.db2.gz LRSZKPPJSDAVOW-IRXDYDNUSA-N 2 1 338.417 3.953 20 0 EHADMP Cc1nccnc1[C@H](C)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249211964 1124746012 /nfs/dbraw/zinc/74/60/12/1124746012.db2.gz YLHCSQUTCQCHCK-WBQJQJEBSA-N 2 1 338.499 3.592 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091335637 1124977619 /nfs/dbraw/zinc/97/76/19/1124977619.db2.gz RYYCJMUIOAWETH-CXAGYDPISA-N 2 1 337.305 3.832 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000543228909 1129356646 /nfs/dbraw/zinc/35/66/46/1129356646.db2.gz GCYIAQUFUQOYQL-RBUKOAKNSA-N 2 1 332.532 3.939 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000358946593 1129428296 /nfs/dbraw/zinc/42/82/96/1129428296.db2.gz RFITUVSRYMKTHH-YJBOKZPZSA-N 2 1 332.488 3.545 20 0 EHADMP Cc1csc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000069168309 1129428704 /nfs/dbraw/zinc/42/87/04/1129428704.db2.gz BVCUAYOMWVFGEV-MRXNPFEDSA-N 2 1 345.512 3.777 20 0 EHADMP CCc1noc(C)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282449484 1129868782 /nfs/dbraw/zinc/86/87/82/1129868782.db2.gz ISOOWKLDCGLYHM-HXUWFJFHSA-N 2 1 341.499 3.936 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282449484 1129868786 /nfs/dbraw/zinc/86/87/86/1129868786.db2.gz ISOOWKLDCGLYHM-HXUWFJFHSA-N 2 1 341.499 3.936 20 0 EHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cnn(-c2ccccc2)c1 ZINC000766044941 1129930770 /nfs/dbraw/zinc/93/07/70/1129930770.db2.gz NCZTYRXBBLFCPZ-QFBILLFUSA-N 2 1 328.504 3.889 20 0 EHADMP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000174265364 1130346006 /nfs/dbraw/zinc/34/60/06/1130346006.db2.gz CZZGUKYYCQPMJM-GOSISDBHSA-N 2 1 336.479 3.936 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000658324105 1130385691 /nfs/dbraw/zinc/38/56/91/1130385691.db2.gz ZRRJPBPJRPUQRH-CQSZACIVSA-N 2 1 349.425 3.772 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000675732626 1130464072 /nfs/dbraw/zinc/46/40/72/1130464072.db2.gz ATGIHPGWAWMQEQ-RBBKRZOGSA-N 2 1 346.559 3.963 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000675787080 1130479648 /nfs/dbraw/zinc/47/96/48/1130479648.db2.gz UPXYPZUIIIPMDQ-TZIWHRDSSA-N 2 1 330.516 3.693 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157122 1130592852 /nfs/dbraw/zinc/59/28/52/1130592852.db2.gz FNDABSWQBRPAMV-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000348020888 1131121653 /nfs/dbraw/zinc/12/16/53/1131121653.db2.gz ZWNJKSBRUFGDAO-VTLFHKLASA-N 2 1 344.543 3.787 20 0 EHADMP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000282688724 1131141461 /nfs/dbraw/zinc/14/14/61/1131141461.db2.gz KCYWJBXZFWIWLA-ACDBMABISA-N 2 1 328.500 3.588 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000742373045 1131716999 /nfs/dbraw/zinc/71/69/99/1131716999.db2.gz DUGIXRKLLIWHOC-UHFFFAOYSA-N 2 1 327.472 3.865 20 0 EHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172448475 1131745609 /nfs/dbraw/zinc/74/56/09/1131745609.db2.gz MFVNBGKMLWNICJ-PZJWPPBQSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576705 1131770754 /nfs/dbraw/zinc/77/07/54/1131770754.db2.gz OVLZRMCSMRUHPH-LLVKDONJSA-N 2 1 327.806 3.734 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172573043 1131777324 /nfs/dbraw/zinc/77/73/24/1131777324.db2.gz VQJJVTIENSXDJQ-MCIONIFRSA-N 2 1 342.861 3.823 20 0 EHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172606295 1131788261 /nfs/dbraw/zinc/78/82/61/1131788261.db2.gz UAMNLPJRYXQINA-PBWTXFEYSA-N 2 1 336.520 3.623 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001172941591 1131912705 /nfs/dbraw/zinc/91/27/05/1131912705.db2.gz XOVZZHVDLHDSQK-GGPKGHCWSA-N 2 1 346.515 3.914 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172953083 1131929182 /nfs/dbraw/zinc/92/91/82/1131929182.db2.gz YLXXSFPJTBKRLN-VSKRKVRLSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953083 1131929189 /nfs/dbraw/zinc/92/91/89/1131929189.db2.gz YLXXSFPJTBKRLN-VSKRKVRLSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953083 1131929194 /nfs/dbraw/zinc/92/91/94/1131929194.db2.gz YLXXSFPJTBKRLN-VSKRKVRLSA-N 2 1 342.527 3.932 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185482 1131937563 /nfs/dbraw/zinc/93/75/63/1131937563.db2.gz NYYYWCJCCISNBK-PMACEKPBSA-N 2 1 342.458 3.835 20 0 EHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206185482 1131937570 /nfs/dbraw/zinc/93/75/70/1131937570.db2.gz NYYYWCJCCISNBK-PMACEKPBSA-N 2 1 342.458 3.835 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173045529 1131941447 /nfs/dbraw/zinc/94/14/47/1131941447.db2.gz YRPSIBOTBJHRKP-UHFFFAOYSA-N 2 1 346.490 3.815 20 0 EHADMP CCCOC1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173093450 1131951669 /nfs/dbraw/zinc/95/16/69/1131951669.db2.gz GZHMZOXZIZKSKM-UHFFFAOYSA-N 2 1 334.479 3.813 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001173112368 1131970282 /nfs/dbraw/zinc/97/02/82/1131970282.db2.gz WLSKBBBHARZQDF-CBNMVNINSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(c3cccc(C)n3)CC2)CC1 ZINC001173113498 1131970904 /nfs/dbraw/zinc/97/09/04/1131970904.db2.gz RBEQXHIZUIRNHC-UHFFFAOYSA-N 2 1 344.547 3.555 20 0 EHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000743859062 1131989715 /nfs/dbraw/zinc/98/97/15/1131989715.db2.gz MQACLFAKJXMWFL-XMSQKQJNSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000743859062 1131989720 /nfs/dbraw/zinc/98/97/20/1131989720.db2.gz MQACLFAKJXMWFL-XMSQKQJNSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843773 1131990338 /nfs/dbraw/zinc/99/03/38/1131990338.db2.gz URZFNJDEIYPALK-IFMALSPDSA-N 2 1 344.543 3.781 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843773 1131990342 /nfs/dbraw/zinc/99/03/42/1131990342.db2.gz URZFNJDEIYPALK-IFMALSPDSA-N 2 1 344.543 3.781 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC001173278743 1132039536 /nfs/dbraw/zinc/03/95/36/1132039536.db2.gz IMEMTNYJZAJRSL-TZIWHRDSSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)(C)C[N@H+](C1CCN(CC(F)(F)F)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173667744 1132115760 /nfs/dbraw/zinc/11/57/60/1132115760.db2.gz SIYIYFZTCXTEII-SHTZXODSSA-N 2 1 349.485 3.631 20 0 EHADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC001206212821 1132126760 /nfs/dbraw/zinc/12/67/60/1132126760.db2.gz SDECJORSPDJGCE-SJORKVTESA-N 2 1 333.838 3.663 20 0 EHADMP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203401 1132585762 /nfs/dbraw/zinc/58/57/62/1132585762.db2.gz NAGKDHFSWWXABL-FGZHOGPDSA-N 2 1 340.511 3.775 20 0 EHADMP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC001175203401 1132585765 /nfs/dbraw/zinc/58/57/65/1132585765.db2.gz NAGKDHFSWWXABL-FGZHOGPDSA-N 2 1 340.511 3.775 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)C2 ZINC001169094415 1132653371 /nfs/dbraw/zinc/65/33/71/1132653371.db2.gz LJRRHVYSCGDXMY-QMCAAQAGSA-N 2 1 335.495 3.643 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099571 1132656371 /nfs/dbraw/zinc/65/63/71/1132656371.db2.gz BTAGQBYMFCLHJP-CLWJZODNSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117319 1132662168 /nfs/dbraw/zinc/66/21/68/1132662168.db2.gz YGVLYXCSRPJGMP-MPTYRVRUSA-N 2 1 339.405 3.766 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169111162 1132671629 /nfs/dbraw/zinc/67/16/29/1132671629.db2.gz NUFXMVOKQCOLQM-YYQUZTFQSA-N 2 1 337.305 3.595 20 0 EHADMP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144667 1132675170 /nfs/dbraw/zinc/67/51/70/1132675170.db2.gz LRGVYNBEHZAKQF-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144667 1132675177 /nfs/dbraw/zinc/67/51/77/1132675177.db2.gz LRGVYNBEHZAKQF-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144667 1132675181 /nfs/dbraw/zinc/67/51/81/1132675181.db2.gz LRGVYNBEHZAKQF-BJWYYQGGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147772 1132676934 /nfs/dbraw/zinc/67/69/34/1132676934.db2.gz WQEFKIHWWILLOV-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147772 1132676937 /nfs/dbraw/zinc/67/69/37/1132676937.db2.gz WQEFKIHWWILLOV-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147772 1132676943 /nfs/dbraw/zinc/67/69/43/1132676943.db2.gz WQEFKIHWWILLOV-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCCCCCO)Cc1ccccc1)C2 ZINC001169153923 1132680833 /nfs/dbraw/zinc/68/08/33/1132680833.db2.gz MLFHBCXIDCHGBR-AERCQKQUSA-N 2 1 330.516 3.667 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CCCCCCO)Cc1ccccc1)C2 ZINC001169153923 1132680837 /nfs/dbraw/zinc/68/08/37/1132680837.db2.gz MLFHBCXIDCHGBR-AERCQKQUSA-N 2 1 330.516 3.667 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CCCCCCO)Cc1ccccc1)C2 ZINC001169153923 1132680839 /nfs/dbraw/zinc/68/08/39/1132680839.db2.gz MLFHBCXIDCHGBR-AERCQKQUSA-N 2 1 330.516 3.667 20 0 EHADMP CCC[NH+](CCC)CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169274425 1132713008 /nfs/dbraw/zinc/71/30/08/1132713008.db2.gz HILCMDDQSZDYMK-UHFFFAOYSA-N 2 1 346.515 3.866 20 0 EHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643177 1132720447 /nfs/dbraw/zinc/72/04/47/1132720447.db2.gz NWKSQVDJQFMZCV-RTWAWAEBSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643177 1132720451 /nfs/dbraw/zinc/72/04/51/1132720451.db2.gz NWKSQVDJQFMZCV-RTWAWAEBSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643177 1132720458 /nfs/dbraw/zinc/72/04/58/1132720458.db2.gz NWKSQVDJQFMZCV-RTWAWAEBSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643177 1132720468 /nfs/dbraw/zinc/72/04/68/1132720468.db2.gz NWKSQVDJQFMZCV-RTWAWAEBSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643177 1132720475 /nfs/dbraw/zinc/72/04/75/1132720475.db2.gz NWKSQVDJQFMZCV-RTWAWAEBSA-N 2 1 330.516 3.524 20 0 EHADMP Cc1ccnc(CCNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)c1 ZINC001169318349 1132721094 /nfs/dbraw/zinc/72/10/94/1132721094.db2.gz PESLPVNAZXHQSS-LJQANCHMSA-N 2 1 349.482 3.709 20 0 EHADMP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC001175757981 1132759132 /nfs/dbraw/zinc/75/91/32/1132759132.db2.gz IKWCLDRILICTDB-UHFFFAOYSA-N 2 1 342.527 3.990 20 0 EHADMP CCCCC(=O)[C@H](C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169546484 1132790653 /nfs/dbraw/zinc/79/06/53/1132790653.db2.gz CLDYUMPDLPVFLR-RDJZCZTQSA-N 2 1 342.487 3.911 20 0 EHADMP Cc1cc([NH+]2CCCCC2)ccc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169709402 1132830342 /nfs/dbraw/zinc/83/03/42/1132830342.db2.gz KXBFEWNUELQZQT-UHFFFAOYSA-N 2 1 334.467 3.825 20 0 EHADMP Cc1cccc(C)c1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001176555604 1132966317 /nfs/dbraw/zinc/96/63/17/1132966317.db2.gz NPYQDOYCCFVDKM-UHFFFAOYSA-N 2 1 338.495 3.768 20 0 EHADMP Cc1cccc(C)c1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001176555604 1132966320 /nfs/dbraw/zinc/96/63/20/1132966320.db2.gz NPYQDOYCCFVDKM-UHFFFAOYSA-N 2 1 338.495 3.768 20 0 EHADMP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC001177267687 1133050840 /nfs/dbraw/zinc/05/08/40/1133050840.db2.gz LISGNCZJQBAMMI-UGKGYDQZSA-N 2 1 343.559 3.883 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768104402 1133095563 /nfs/dbraw/zinc/09/55/63/1133095563.db2.gz JUUUJDKBBOEWIH-IMFGXOCKSA-N 2 1 328.500 3.776 20 0 EHADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1C ZINC000067976670 1133100005 /nfs/dbraw/zinc/10/00/05/1133100005.db2.gz GKXMWVHCKKWPAJ-GOSISDBHSA-N 2 1 338.495 3.814 20 0 EHADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1C ZINC000067976670 1133100007 /nfs/dbraw/zinc/10/00/07/1133100007.db2.gz GKXMWVHCKKWPAJ-GOSISDBHSA-N 2 1 338.495 3.814 20 0 EHADMP CCc1oc2ccccc2c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001177972504 1133125113 /nfs/dbraw/zinc/12/51/13/1133125113.db2.gz NMZMSJHUXJXMEH-UHFFFAOYSA-N 2 1 344.499 3.974 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001206318970 1133144448 /nfs/dbraw/zinc/14/44/48/1133144448.db2.gz WHEAUUAJJVPFCR-MRXNPFEDSA-N 2 1 332.822 3.892 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001178285888 1133153149 /nfs/dbraw/zinc/15/31/49/1133153149.db2.gz VIKVKMLWPDBSHI-BAGYTPMASA-N 2 1 335.495 3.780 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001178285888 1133153153 /nfs/dbraw/zinc/15/31/53/1133153153.db2.gz VIKVKMLWPDBSHI-BAGYTPMASA-N 2 1 335.495 3.780 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3CCCC3)cc2)CCCO1 ZINC001178472372 1133172455 /nfs/dbraw/zinc/17/24/55/1133172455.db2.gz CLHMNSYBZWRCJG-SFHVURJKSA-N 2 1 330.516 3.935 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)COC4)C2)CC1 ZINC000769148943 1133233347 /nfs/dbraw/zinc/23/33/47/1133233347.db2.gz VSTBQVGCYOYWPL-IBGZPJMESA-N 2 1 328.500 3.661 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)CC1 ZINC000769148943 1133233352 /nfs/dbraw/zinc/23/33/52/1133233352.db2.gz VSTBQVGCYOYWPL-IBGZPJMESA-N 2 1 328.500 3.661 20 0 EHADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1OCc1ccccc1 ZINC001179266351 1133240212 /nfs/dbraw/zinc/24/02/12/1133240212.db2.gz MIFZFVNFNOTDAO-QGZVFWFLSA-N 2 1 342.483 3.704 20 0 EHADMP CC1(C)CC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC(C)(C)N1O ZINC001170002311 1133241714 /nfs/dbraw/zinc/24/17/14/1133241714.db2.gz ADDSLKXKWODCSX-QGZVFWFLSA-N 2 1 337.552 3.738 20 0 EHADMP COc1cc(C)ccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001179338583 1133246088 /nfs/dbraw/zinc/24/60/88/1133246088.db2.gz KCTBDUQHYVJIIK-RXVVDRJESA-N 2 1 338.495 3.861 20 0 EHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001179830842 1133286733 /nfs/dbraw/zinc/28/67/33/1133286733.db2.gz XFBQLVKWBNRVAF-AWEZNQCLSA-N 2 1 340.533 3.913 20 0 EHADMP CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001180310301 1133354572 /nfs/dbraw/zinc/35/45/72/1133354572.db2.gz CPQJNVUWCVCWJN-GHTZIAJQSA-N 2 1 332.532 3.948 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1)CC1CC1 ZINC000771476207 1133559713 /nfs/dbraw/zinc/55/97/13/1133559713.db2.gz SFVVDAXLZHPBGF-NRFANRHFSA-N 2 1 348.506 3.693 20 0 EHADMP CC(C)[N@@H+](Cc1cc(Br)cs1)C1CCN(C)CC1 ZINC001204032416 1133695000 /nfs/dbraw/zinc/69/50/00/1133695000.db2.gz YJGNMBLLAVGMQE-UHFFFAOYSA-N 2 1 331.323 3.815 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183788272 1133857988 /nfs/dbraw/zinc/85/79/88/1133857988.db2.gz KXEMPYGQCQGCNP-DFQSSKMNSA-N 2 1 330.516 3.692 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)nc2C(F)(F)F)[C@H](C)C1 ZINC000787268344 1133987017 /nfs/dbraw/zinc/98/70/17/1133987017.db2.gz DWAXYZPCYGVPAK-YPMHNXCESA-N 2 1 349.828 3.916 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(Br)c2)CC1 ZINC000774828309 1134027518 /nfs/dbraw/zinc/02/75/18/1134027518.db2.gz VRJRPDVUTFNUKC-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(Br)c2)CC1 ZINC000774828309 1134027525 /nfs/dbraw/zinc/02/75/25/1134027525.db2.gz VRJRPDVUTFNUKC-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001170121781 1134344387 /nfs/dbraw/zinc/34/43/87/1134344387.db2.gz NZEBPKBVDXHFKX-XLNTUCKNSA-N 2 1 344.499 3.734 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000790750694 1134462113 /nfs/dbraw/zinc/46/21/13/1134462113.db2.gz QVTVAYUPVUYTLK-QGZVFWFLSA-N 2 1 326.488 3.645 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cncc5ccccc54)C[C@@H]3C2)cc1 ZINC000791620339 1134577571 /nfs/dbraw/zinc/57/75/71/1134577571.db2.gz PMTTVTDQKXSYNL-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cncc5ccccc54)C[C@@H]3C2)cc1 ZINC000791620339 1134577575 /nfs/dbraw/zinc/57/75/75/1134577575.db2.gz PMTTVTDQKXSYNL-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cncc5ccccc54)C[C@@H]3C2)cc1 ZINC000791620339 1134577577 /nfs/dbraw/zinc/57/75/77/1134577577.db2.gz PMTTVTDQKXSYNL-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cncc5ccccc54)C[C@@H]3C2)cc1 ZINC000791620339 1134577581 /nfs/dbraw/zinc/57/75/81/1134577581.db2.gz PMTTVTDQKXSYNL-SZPZYZBQSA-N 2 1 343.474 3.799 20 0 EHADMP CC[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001170165888 1134684804 /nfs/dbraw/zinc/68/48/04/1134684804.db2.gz WKLMSEDJYMLSNM-ADAARDCZSA-N 2 1 328.500 3.729 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001170214929 1134708953 /nfs/dbraw/zinc/70/89/53/1134708953.db2.gz VVCQNWCLRRFVFC-QWFCFKBJSA-N 2 1 346.515 3.914 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224525 1134722789 /nfs/dbraw/zinc/72/27/89/1134722789.db2.gz UJLODCGVAHIPAQ-NHCUHLMSSA-N 2 1 330.516 3.931 20 0 EHADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC001170413069 1134773082 /nfs/dbraw/zinc/77/30/82/1134773082.db2.gz VOLVKUJEUMSJNT-SIKLNZKXSA-N 2 1 344.543 3.688 20 0 EHADMP C[C@]1(COC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000793161162 1134857931 /nfs/dbraw/zinc/85/79/31/1134857931.db2.gz IUJHDVCSSOESGU-OAQYLSRUSA-N 2 1 349.434 3.546 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001191455123 1134874009 /nfs/dbraw/zinc/87/40/09/1134874009.db2.gz VAVBNUJMWQATDD-GOSISDBHSA-N 2 1 338.923 3.705 20 0 EHADMP C[C@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205602507 1135026029 /nfs/dbraw/zinc/02/60/29/1135026029.db2.gz IZFUREKFCDHMAF-GOEBONIOSA-N 2 1 339.321 3.689 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1Br ZINC001205617544 1135085759 /nfs/dbraw/zinc/08/57/59/1135085759.db2.gz KOQNODQQXPDCEJ-SWLSCSKDSA-N 2 1 325.294 3.564 20 0 EHADMP Cc1cc(F)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205626825 1135117386 /nfs/dbraw/zinc/11/73/86/1135117386.db2.gz JPTZCXPAVULXRY-AAEUAGOBSA-N 2 1 343.284 3.703 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)cc1Br ZINC001205627188 1135120919 /nfs/dbraw/zinc/12/09/19/1135120919.db2.gz NRTXWEOPRVUCDD-YPMHNXCESA-N 2 1 343.284 3.703 20 0 EHADMP CCc1oc2ccccc2c1C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000078926787 1135126259 /nfs/dbraw/zinc/12/62/59/1135126259.db2.gz WTLWQJUXMCXSQE-UHFFFAOYSA-N 2 1 343.515 3.503 20 0 EHADMP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)CC2CCC2)c(OC)c1 ZINC001193743780 1135174902 /nfs/dbraw/zinc/17/49/02/1135174902.db2.gz UNDWXOMOLOMSMX-IBGZPJMESA-N 2 1 346.515 3.790 20 0 EHADMP COc1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC2CCC2)c(OC)c1 ZINC001193743780 1135174904 /nfs/dbraw/zinc/17/49/04/1135174904.db2.gz UNDWXOMOLOMSMX-IBGZPJMESA-N 2 1 346.515 3.790 20 0 EHADMP COc1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC2CCC2)c(OC)c1 ZINC001193743780 1135174906 /nfs/dbraw/zinc/17/49/06/1135174906.db2.gz UNDWXOMOLOMSMX-IBGZPJMESA-N 2 1 346.515 3.790 20 0 EHADMP COc1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)CC2CCC2)c(OC)c1 ZINC001193743780 1135174909 /nfs/dbraw/zinc/17/49/09/1135174909.db2.gz UNDWXOMOLOMSMX-IBGZPJMESA-N 2 1 346.515 3.790 20 0 EHADMP C[C@@H](CO)[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CCC1 ZINC001193783941 1135180327 /nfs/dbraw/zinc/18/03/27/1135180327.db2.gz FHIYJQMDHYAMQA-SFHVURJKSA-N 2 1 330.516 3.655 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cnc(Cl)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205651824 1135224315 /nfs/dbraw/zinc/22/43/15/1135224315.db2.gz KESBLAAPTWVYPS-ZYHUDNBSSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cnc(Cl)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205651824 1135224322 /nfs/dbraw/zinc/22/43/22/1135224322.db2.gz KESBLAAPTWVYPS-ZYHUDNBSSA-N 2 1 335.801 3.561 20 0 EHADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1 ZINC001194268396 1135253607 /nfs/dbraw/zinc/25/36/07/1135253607.db2.gz HFPBRRSJAUYUDS-RBBKRZOGSA-N 2 1 342.527 3.790 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)OC1 ZINC001194268396 1135253611 /nfs/dbraw/zinc/25/36/11/1135253611.db2.gz HFPBRRSJAUYUDS-RBBKRZOGSA-N 2 1 342.527 3.790 20 0 EHADMP CC1(C)CC[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)OC1 ZINC001194268396 1135253617 /nfs/dbraw/zinc/25/36/17/1135253617.db2.gz HFPBRRSJAUYUDS-RBBKRZOGSA-N 2 1 342.527 3.790 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000775635280 1135364468 /nfs/dbraw/zinc/36/44/68/1135364468.db2.gz VDJRGCDWJCSVDI-LMMKCTJWSA-N 2 1 343.515 3.956 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC[C@H](O)c2ccccc2)CC1 ZINC001196936138 1135631439 /nfs/dbraw/zinc/63/14/39/1135631439.db2.gz QDOSKBKAVHKERQ-RTWAWAEBSA-N 2 1 330.516 3.697 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1 ZINC001199038081 1135875012 /nfs/dbraw/zinc/87/50/12/1135875012.db2.gz JLQLVWNTSUWSJC-UHFFFAOYSA-N 2 1 348.393 3.620 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1 ZINC001199038081 1135875015 /nfs/dbraw/zinc/87/50/15/1135875015.db2.gz JLQLVWNTSUWSJC-UHFFFAOYSA-N 2 1 348.393 3.620 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC001199069181 1135878367 /nfs/dbraw/zinc/87/83/67/1135878367.db2.gz RGVXWDAKLMXSMM-INIZCTEOSA-N 2 1 334.504 3.835 20 0 EHADMP Cc1c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)sc2nc(C)nc(C)c12 ZINC000809767870 1135880561 /nfs/dbraw/zinc/88/05/61/1135880561.db2.gz WITBURGPHSBXNJ-JKSUJKDBSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)sc2nc(C)nc(C)c12 ZINC000809767870 1135880565 /nfs/dbraw/zinc/88/05/65/1135880565.db2.gz WITBURGPHSBXNJ-JKSUJKDBSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)sc2nc(C)nc(C)c12 ZINC000809767870 1135880568 /nfs/dbraw/zinc/88/05/68/1135880568.db2.gz WITBURGPHSBXNJ-JKSUJKDBSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000809766092 1135888454 /nfs/dbraw/zinc/88/84/54/1135888454.db2.gz URCWMHPUGJPNLJ-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000809766092 1135888455 /nfs/dbraw/zinc/88/84/55/1135888455.db2.gz URCWMHPUGJPNLJ-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766092 1135888458 /nfs/dbraw/zinc/88/84/58/1135888458.db2.gz URCWMHPUGJPNLJ-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766092 1135888459 /nfs/dbraw/zinc/88/84/59/1135888459.db2.gz URCWMHPUGJPNLJ-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP C[NH+](C)[C@@H](CNc1ccnc(C[NH3+])c1)c1ccc(Cl)cc1Cl ZINC001170589608 1135901284 /nfs/dbraw/zinc/90/12/84/1135901284.db2.gz ORJSACNVUKBZEL-INIZCTEOSA-N 2 1 339.270 3.562 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001199743229 1135925624 /nfs/dbraw/zinc/92/56/24/1135925624.db2.gz SKDFLRIFVYUJMY-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001199743229 1135925627 /nfs/dbraw/zinc/92/56/27/1135925627.db2.gz SKDFLRIFVYUJMY-MRXNPFEDSA-N 2 1 346.906 3.656 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000105443716 1135947860 /nfs/dbraw/zinc/94/78/60/1135947860.db2.gz SDNNTFGFNMLRHB-LBPRGKRZSA-N 2 1 337.414 3.836 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(C)c1Br ZINC001205914244 1136000646 /nfs/dbraw/zinc/00/06/46/1136000646.db2.gz LVDNBASLJYAQJF-HIFRSBDPSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(C)c1Br ZINC001205914244 1136000649 /nfs/dbraw/zinc/00/06/49/1136000649.db2.gz LVDNBASLJYAQJF-HIFRSBDPSA-N 2 1 325.294 3.625 20 0 EHADMP CN(C)c1cc[nH+]cc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201470883 1136031274 /nfs/dbraw/zinc/03/12/74/1136031274.db2.gz YCLUGDWZZCOPQT-MOPGFXCFSA-N 2 1 334.467 3.880 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201558242 1136039665 /nfs/dbraw/zinc/03/96/65/1136039665.db2.gz AHXQKGMMGJAIAV-GIVPXCGWSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201558242 1136039669 /nfs/dbraw/zinc/03/96/69/1136039669.db2.gz AHXQKGMMGJAIAV-GIVPXCGWSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201558242 1136039672 /nfs/dbraw/zinc/03/96/72/1136039672.db2.gz AHXQKGMMGJAIAV-GIVPXCGWSA-N 2 1 336.564 3.883 20 0 EHADMP CCCCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001203972472 1136042523 /nfs/dbraw/zinc/04/25/23/1136042523.db2.gz LENGYVZYKAJDQU-UHFFFAOYSA-N 2 1 325.456 3.583 20 0 EHADMP CCCCC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201727816 1136055846 /nfs/dbraw/zinc/05/58/46/1136055846.db2.gz VRXJRDQINNVWHX-HXUWFJFHSA-N 2 1 345.531 3.575 20 0 EHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001201954375 1136077913 /nfs/dbraw/zinc/07/79/13/1136077913.db2.gz NKUJFIGMFXOGPJ-BWAGFHJFSA-N 2 1 344.543 3.948 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202160143 1136103268 /nfs/dbraw/zinc/10/32/68/1136103268.db2.gz IDHQTJRARYFLLA-SFHVURJKSA-N 2 1 348.556 3.994 20 0 EHADMP CC(C)c1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357450 1136240834 /nfs/dbraw/zinc/24/08/34/1136240834.db2.gz JXIKVPCCNJZGLS-NRFANRHFSA-N 2 1 338.495 3.666 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728309 1136480763 /nfs/dbraw/zinc/48/07/63/1136480763.db2.gz AEELGZWLTGMIJF-OALUTQOASA-N 2 1 349.906 3.973 20 0 EHADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761437 1136484305 /nfs/dbraw/zinc/48/43/05/1136484305.db2.gz VWBPDSKLQOQLCQ-YOEHRIQHSA-N 2 1 344.421 3.809 20 0 EHADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761437 1136484308 /nfs/dbraw/zinc/48/43/08/1136484308.db2.gz VWBPDSKLQOQLCQ-YOEHRIQHSA-N 2 1 344.421 3.809 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)s1 ZINC000853095732 1136509008 /nfs/dbraw/zinc/50/90/08/1136509008.db2.gz VFUKZKLJZFIBLN-LJQANCHMSA-N 2 1 329.513 3.662 20 0 EHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000815615347 1136618945 /nfs/dbraw/zinc/61/89/45/1136618945.db2.gz NYSXJRPDZOIURF-JXFKEZNVSA-N 2 1 342.458 3.552 20 0 EHADMP C[C@H]1[C@H](OC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468821 1136719779 /nfs/dbraw/zinc/71/97/79/1136719779.db2.gz NJUBEIZDQTWOFX-OXJNMPFZSA-N 2 1 349.434 3.544 20 0 EHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817944155 1136849640 /nfs/dbraw/zinc/84/96/40/1136849640.db2.gz YHFSSUYHWFIXIR-INIZCTEOSA-N 2 1 329.488 3.516 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817969307 1136853700 /nfs/dbraw/zinc/85/37/00/1136853700.db2.gz UMIRRZVGCZBLIM-FZQMEJGWSA-N 2 1 330.516 3.528 20 0 EHADMP CC(C)n1cncc1CNc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000818195308 1136865296 /nfs/dbraw/zinc/86/52/96/1136865296.db2.gz STYKBWZSORPVBS-KRWDZBQOSA-N 2 1 342.487 3.797 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000818959356 1136895608 /nfs/dbraw/zinc/89/56/08/1136895608.db2.gz ILLRKCJUGBIZKB-XMSQKQJNSA-N 2 1 338.495 3.884 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101488 1136908851 /nfs/dbraw/zinc/90/88/51/1136908851.db2.gz VHNKOIKBONGGHF-LJHODMEESA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101488 1136908854 /nfs/dbraw/zinc/90/88/54/1136908854.db2.gz VHNKOIKBONGGHF-LJHODMEESA-N 2 1 348.487 3.593 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819078548 1136911079 /nfs/dbraw/zinc/91/10/79/1136911079.db2.gz JIQPICUSSUHCOI-IIBYNOLFSA-N 2 1 342.458 3.674 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCc3cn[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000857858498 1136914478 /nfs/dbraw/zinc/91/44/78/1136914478.db2.gz NRONLRXBEVRMPT-KPFFTGBYSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858498 1136914480 /nfs/dbraw/zinc/91/44/80/1136914480.db2.gz NRONLRXBEVRMPT-KPFFTGBYSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858498 1136914482 /nfs/dbraw/zinc/91/44/82/1136914482.db2.gz NRONLRXBEVRMPT-KPFFTGBYSA-N 2 1 338.499 3.677 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC1CC1 ZINC000858100679 1136940070 /nfs/dbraw/zinc/94/00/70/1136940070.db2.gz MKPMCUPQMNGNJM-UHFFFAOYSA-N 2 1 332.488 3.589 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000858537024 1136977040 /nfs/dbraw/zinc/97/70/40/1136977040.db2.gz ARCVHAWTFDBALM-IKGGRYGDSA-N 2 1 333.426 3.999 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccns1 ZINC000858576512 1136980196 /nfs/dbraw/zinc/98/01/96/1136980196.db2.gz LUUVOKFQPQQROY-NRSFXHEJSA-N 2 1 327.497 3.989 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccns1 ZINC000858576512 1136980197 /nfs/dbraw/zinc/98/01/97/1136980197.db2.gz LUUVOKFQPQQROY-NRSFXHEJSA-N 2 1 327.497 3.989 20 0 EHADMP C[C@@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820811028 1137005415 /nfs/dbraw/zinc/00/54/15/1137005415.db2.gz JKYDKHZXJDJOME-UUNMCFMGSA-N 2 1 330.516 3.569 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000859213691 1137008030 /nfs/dbraw/zinc/00/80/30/1137008030.db2.gz ZFWDJSPJCRPZJN-LJQANCHMSA-N 2 1 332.875 3.567 20 0 EHADMP CC[NH+](CC)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000821892532 1137042344 /nfs/dbraw/zinc/04/23/44/1137042344.db2.gz IIXOZUVSIPWXMG-UHFFFAOYSA-N 2 1 342.512 3.884 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@@H+]1C ZINC000266025273 1137097399 /nfs/dbraw/zinc/09/73/99/1137097399.db2.gz YEZCNZWPUZPJTF-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@H+]1C ZINC000266025273 1137097401 /nfs/dbraw/zinc/09/74/01/1137097401.db2.gz YEZCNZWPUZPJTF-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025273 1137097403 /nfs/dbraw/zinc/09/74/03/1137097403.db2.gz YEZCNZWPUZPJTF-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025273 1137097405 /nfs/dbraw/zinc/09/74/05/1137097405.db2.gz YEZCNZWPUZPJTF-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4c[nH]cn4)CC3)C2)cc1 ZINC001136868335 1137136640 /nfs/dbraw/zinc/13/66/40/1137136640.db2.gz CEYCEKVRNQQASF-UHFFFAOYSA-N 2 1 338.499 3.596 20 0 EHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cnc[nH]4)CC3)C2)cc1 ZINC001136868335 1137136641 /nfs/dbraw/zinc/13/66/41/1137136641.db2.gz CEYCEKVRNQQASF-UHFFFAOYSA-N 2 1 338.499 3.596 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cnc[nH]4)CC3)C2)cc1 ZINC001136868335 1137136642 /nfs/dbraw/zinc/13/66/42/1137136642.db2.gz CEYCEKVRNQQASF-UHFFFAOYSA-N 2 1 338.499 3.596 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccnc1F ZINC000862283581 1137137289 /nfs/dbraw/zinc/13/72/89/1137137289.db2.gz LDXLSOSHTWYEMR-BEFAXECRSA-N 2 1 327.447 3.529 20 0 EHADMP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccnc1F ZINC000862283581 1137137291 /nfs/dbraw/zinc/13/72/91/1137137291.db2.gz LDXLSOSHTWYEMR-BEFAXECRSA-N 2 1 327.447 3.529 20 0 EHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078293 1137170034 /nfs/dbraw/zinc/17/00/34/1137170034.db2.gz JARSTARBWMIVFX-IJEWVQPXSA-N 2 1 339.310 3.734 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078293 1137170035 /nfs/dbraw/zinc/17/00/35/1137170035.db2.gz JARSTARBWMIVFX-IJEWVQPXSA-N 2 1 339.310 3.734 20 0 EHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078293 1137170037 /nfs/dbraw/zinc/17/00/37/1137170037.db2.gz JARSTARBWMIVFX-IJEWVQPXSA-N 2 1 339.310 3.734 20 0 EHADMP C[N@H+]1CC[C@@H](c2ccc(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)cc2)C1 ZINC001171098875 1137194306 /nfs/dbraw/zinc/19/43/06/1137194306.db2.gz IZWVKQNHUJTVIV-QZTJIDSGSA-N 2 1 345.490 3.866 20 0 EHADMP C[N@H+]1CC[C@H](c2ccc(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)cc2)C1 ZINC001171098882 1137194399 /nfs/dbraw/zinc/19/43/99/1137194399.db2.gz IZWVKQNHUJTVIV-ZWKOTPCHSA-N 2 1 345.490 3.866 20 0 EHADMP CCOc1c(F)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001143745234 1137195609 /nfs/dbraw/zinc/19/56/09/1137195609.db2.gz QLIVIZRGHBZOMS-UHFFFAOYSA-N 2 1 340.870 3.796 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246571291 1137301702 /nfs/dbraw/zinc/30/17/02/1137301702.db2.gz BAUVMNHIVFVRNR-WMLDXEAASA-N 2 1 339.321 3.831 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1F ZINC000866343180 1137347487 /nfs/dbraw/zinc/34/74/87/1137347487.db2.gz XUPVYVZONDSGNI-HXUWFJFHSA-N 2 1 341.405 3.814 20 0 EHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(SC(F)(F)F)c1 ZINC000866342591 1137347499 /nfs/dbraw/zinc/34/74/99/1137347499.db2.gz TVCHETFOIVRYKU-LLVKDONJSA-N 2 1 329.391 3.925 20 0 EHADMP c1n[nH]c2c1[C@H]([NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000866469078 1137357246 /nfs/dbraw/zinc/35/72/46/1137357246.db2.gz FNPZLANFFZBLDX-HXUWFJFHSA-N 2 1 338.499 3.679 20 0 EHADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866470461 1137357614 /nfs/dbraw/zinc/35/76/14/1137357614.db2.gz UMDKXUKZKPEZIW-INIZCTEOSA-N 2 1 326.488 3.671 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000846759147 1137363800 /nfs/dbraw/zinc/36/38/00/1137363800.db2.gz LDKLGYLXOQFSTR-KRWDZBQOSA-N 2 1 333.863 3.550 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000846759147 1137363801 /nfs/dbraw/zinc/36/38/01/1137363801.db2.gz LDKLGYLXOQFSTR-KRWDZBQOSA-N 2 1 333.863 3.550 20 0 EHADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000866668905 1137373254 /nfs/dbraw/zinc/37/32/54/1137373254.db2.gz LFCAOHKSSKGSSR-ZDUSSCGKSA-N 2 1 328.287 3.600 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705355 1137374537 /nfs/dbraw/zinc/37/45/37/1137374537.db2.gz YLPKAPSLNOFRQW-IERDGZPVSA-N 2 1 345.531 3.834 20 0 EHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705355 1137374539 /nfs/dbraw/zinc/37/45/39/1137374539.db2.gz YLPKAPSLNOFRQW-IERDGZPVSA-N 2 1 345.531 3.834 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702956 1137374560 /nfs/dbraw/zinc/37/45/60/1137374560.db2.gz FMGRSKKVULGSNS-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702956 1137374561 /nfs/dbraw/zinc/37/45/61/1137374561.db2.gz FMGRSKKVULGSNS-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP CSc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000348133045 1137444678 /nfs/dbraw/zinc/44/46/78/1137444678.db2.gz JPITYLFRFJZLSD-LPHOPBHVSA-N 2 1 341.524 3.804 20 0 EHADMP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)cn1 ZINC000282824363 1137453612 /nfs/dbraw/zinc/45/36/12/1137453612.db2.gz PRJFMOQPIDMNAX-KRWDZBQOSA-N 2 1 344.528 3.599 20 0 EHADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)cn1 ZINC000282824363 1137453613 /nfs/dbraw/zinc/45/36/13/1137453613.db2.gz PRJFMOQPIDMNAX-KRWDZBQOSA-N 2 1 344.528 3.599 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072821 1137463162 /nfs/dbraw/zinc/46/31/62/1137463162.db2.gz CHZOPDMGUZUSMT-OALUTQOASA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072821 1137463164 /nfs/dbraw/zinc/46/31/64/1137463164.db2.gz CHZOPDMGUZUSMT-OALUTQOASA-N 2 1 340.515 3.891 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000712450649 1137468339 /nfs/dbraw/zinc/46/83/39/1137468339.db2.gz JCCHJGJNVSLKLW-MISYRCLQSA-N 2 1 328.500 3.588 20 0 EHADMP C[NH+](C)C1(C)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000715574560 1137477255 /nfs/dbraw/zinc/47/72/55/1137477255.db2.gz ZDXYYKCUDWVJSP-UHFFFAOYSA-N 3 1 329.532 3.504 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3c(F)cccc3C2)[nH+]1 ZINC001171439896 1137485860 /nfs/dbraw/zinc/48/58/60/1137485860.db2.gz FEKBSWVFQGBDBY-GOSISDBHSA-N 2 1 339.458 3.645 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC001171469826 1137492642 /nfs/dbraw/zinc/49/26/42/1137492642.db2.gz JJIXMVXBAZKZLG-OAQYLSRUSA-N 2 1 328.500 3.673 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC001171469826 1137492643 /nfs/dbraw/zinc/49/26/43/1137492643.db2.gz JJIXMVXBAZKZLG-OAQYLSRUSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505293 1137494750 /nfs/dbraw/zinc/49/47/50/1137494750.db2.gz HVTBKFLLABXLTM-HIFRSBDPSA-N 2 1 340.433 3.815 20 0 EHADMP CCOC(=O)C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171623915 1137501500 /nfs/dbraw/zinc/50/15/00/1137501500.db2.gz IWZHYBKASPSDRB-GOSISDBHSA-N 2 1 346.515 3.922 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641279 1137504890 /nfs/dbraw/zinc/50/48/90/1137504890.db2.gz OBAMAHIYGUJEHJ-GOSISDBHSA-N 2 1 331.504 3.576 20 0 EHADMP COc1cccc2c1c(C[NH3+])cn2[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735975 1137510569 /nfs/dbraw/zinc/51/05/69/1137510569.db2.gz ZPGBSCRMMURHNH-VQIMIIECSA-N 2 1 349.478 3.944 20 0 EHADMP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccc(Cl)cc2)C[N@H+]1Cc1ccccc1 ZINC001171738754 1137510810 /nfs/dbraw/zinc/51/08/10/1137510810.db2.gz NFIGEQNBYCJYAT-KBXCAEBGSA-N 2 1 342.874 3.703 20 0 EHADMP O[C@@]1(C[NH+]2CCC3(CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001171835397 1137515490 /nfs/dbraw/zinc/51/54/90/1137515490.db2.gz XHGHVRVWBIUXRC-JOCHJYFZSA-N 2 1 342.527 3.670 20 0 EHADMP O[C@@]1(C[NH+]2CCC3(CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001171835397 1137515492 /nfs/dbraw/zinc/51/54/92/1137515492.db2.gz XHGHVRVWBIUXRC-JOCHJYFZSA-N 2 1 342.527 3.670 20 0 EHADMP CCOC(=O)CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961549 1137519508 /nfs/dbraw/zinc/51/95/08/1137519508.db2.gz ADVGBBWYJBNOKA-SFHVURJKSA-N 2 1 346.515 3.751 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001171962582 1137519806 /nfs/dbraw/zinc/51/98/06/1137519806.db2.gz FDLBVLHAZCJTPS-AWEZNQCLSA-N 2 1 326.406 3.807 20 0 EHADMP CC1(C)C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974760 1137524551 /nfs/dbraw/zinc/52/45/51/1137524551.db2.gz AGJYBVDPGSQMLR-KNQAVFIVSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974760 1137524553 /nfs/dbraw/zinc/52/45/53/1137524553.db2.gz AGJYBVDPGSQMLR-KNQAVFIVSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974760 1137524555 /nfs/dbraw/zinc/52/45/55/1137524555.db2.gz AGJYBVDPGSQMLR-KNQAVFIVSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@](C)(CO)C1 ZINC001171974760 1137524556 /nfs/dbraw/zinc/52/45/56/1137524556.db2.gz AGJYBVDPGSQMLR-KNQAVFIVSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3CCCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979186 1137526090 /nfs/dbraw/zinc/52/60/90/1137526090.db2.gz CUEIBEKDYPUFGL-NJYVYQBISA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]3CCCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979186 1137526092 /nfs/dbraw/zinc/52/60/92/1137526092.db2.gz CUEIBEKDYPUFGL-NJYVYQBISA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979186 1137526093 /nfs/dbraw/zinc/52/60/93/1137526093.db2.gz CUEIBEKDYPUFGL-NJYVYQBISA-N 2 1 342.527 3.931 20 0 EHADMP C[N@@H+](CCc1ccncc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171980699 1137526845 /nfs/dbraw/zinc/52/68/45/1137526845.db2.gz GAMSWIOCTQTCGL-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980699 1137526847 /nfs/dbraw/zinc/52/68/47/1137526847.db2.gz GAMSWIOCTQTCGL-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980699 1137526849 /nfs/dbraw/zinc/52/68/49/1137526849.db2.gz GAMSWIOCTQTCGL-OAQYLSRUSA-N 2 1 337.511 3.999 20 0 EHADMP CCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984580 1137527195 /nfs/dbraw/zinc/52/71/95/1137527195.db2.gz NMILHXBNFBSMOY-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP C[NH+](C)[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074280 1137529815 /nfs/dbraw/zinc/52/98/15/1137529815.db2.gz GXGRJBZLPOROFR-LRSLUSHPSA-N 2 1 341.543 3.598 20 0 EHADMP c1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001172088995 1137532274 /nfs/dbraw/zinc/53/22/74/1137532274.db2.gz PGYMCFLHCOMZSV-WKCHPHFGSA-N 2 1 335.495 3.892 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067092 1137533704 /nfs/dbraw/zinc/53/37/04/1137533704.db2.gz ALRGGTRXQRCGFK-OHLDOZIISA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067092 1137533706 /nfs/dbraw/zinc/53/37/06/1137533706.db2.gz ALRGGTRXQRCGFK-OHLDOZIISA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067092 1137533708 /nfs/dbraw/zinc/53/37/08/1137533708.db2.gz ALRGGTRXQRCGFK-OHLDOZIISA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067092 1137533709 /nfs/dbraw/zinc/53/37/09/1137533709.db2.gz ALRGGTRXQRCGFK-OHLDOZIISA-N 2 1 342.527 3.665 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172066568 1137533798 /nfs/dbraw/zinc/53/37/98/1137533798.db2.gz ZUCVNYGFIIINJE-YSFYHYPLSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066568 1137533799 /nfs/dbraw/zinc/53/37/99/1137533799.db2.gz ZUCVNYGFIIINJE-YSFYHYPLSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066568 1137533800 /nfs/dbraw/zinc/53/38/00/1137533800.db2.gz ZUCVNYGFIIINJE-YSFYHYPLSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067564 1137534139 /nfs/dbraw/zinc/53/41/39/1137534139.db2.gz GRNKLOFTNOWMLJ-PPQDBTBKSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172128371 1137535458 /nfs/dbraw/zinc/53/54/58/1137535458.db2.gz RJILXCWRALDBSF-RSPOEFSDSA-N 2 1 338.499 3.922 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172128371 1137535459 /nfs/dbraw/zinc/53/54/59/1137535459.db2.gz RJILXCWRALDBSF-RSPOEFSDSA-N 2 1 338.499 3.922 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130518 1137535501 /nfs/dbraw/zinc/53/55/01/1137535501.db2.gz PMFWHEHTBLVURX-FNAHDJPLSA-N 2 1 341.543 3.598 20 0 EHADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130518 1137535503 /nfs/dbraw/zinc/53/55/03/1137535503.db2.gz PMFWHEHTBLVURX-FNAHDJPLSA-N 2 1 341.543 3.598 20 0 EHADMP COc1cccc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)c1 ZINC001172130750 1137535545 /nfs/dbraw/zinc/53/55/45/1137535545.db2.gz RCBZDKSVAGMFKV-ZRNYENFQSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130750 1137535547 /nfs/dbraw/zinc/53/55/47/1137535547.db2.gz RCBZDKSVAGMFKV-ZRNYENFQSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172130750 1137535549 /nfs/dbraw/zinc/53/55/49/1137535549.db2.gz RCBZDKSVAGMFKV-ZRNYENFQSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172130750 1137535550 /nfs/dbraw/zinc/53/55/50/1137535550.db2.gz RCBZDKSVAGMFKV-ZRNYENFQSA-N 2 1 328.500 3.890 20 0 EHADMP COc1cccc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172130750 1137535551 /nfs/dbraw/zinc/53/55/51/1137535551.db2.gz RCBZDKSVAGMFKV-ZRNYENFQSA-N 2 1 328.500 3.890 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128899 1137535625 /nfs/dbraw/zinc/53/56/25/1137535625.db2.gz VNTHOBUIDBBOHD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128899 1137535626 /nfs/dbraw/zinc/53/56/26/1137535626.db2.gz VNTHOBUIDBBOHD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128899 1137535628 /nfs/dbraw/zinc/53/56/28/1137535628.db2.gz VNTHOBUIDBBOHD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](OCc3ccccc3)C1)C2 ZINC001172128899 1137535630 /nfs/dbraw/zinc/53/56/30/1137535630.db2.gz VNTHOBUIDBBOHD-PLACYPQZSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]1OCc1ccccc1)C2 ZINC001172105979 1137536363 /nfs/dbraw/zinc/53/63/63/1137536363.db2.gz LVJTUBAGEFYGDS-WHZJULEDSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]1OCc1ccccc1)C2 ZINC001172105979 1137536364 /nfs/dbraw/zinc/53/63/64/1137536364.db2.gz LVJTUBAGEFYGDS-WHZJULEDSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104292 1137536511 /nfs/dbraw/zinc/53/65/11/1137536511.db2.gz BJKTVXLYSUOWKK-BURNTYAHSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104292 1137536513 /nfs/dbraw/zinc/53/65/13/1137536513.db2.gz BJKTVXLYSUOWKK-BURNTYAHSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101952 1137536663 /nfs/dbraw/zinc/53/66/63/1137536663.db2.gz IKUXZLZCGFUVTP-XLAORIBOSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101952 1137536664 /nfs/dbraw/zinc/53/66/64/1137536664.db2.gz IKUXZLZCGFUVTP-XLAORIBOSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cc(Br)cs1)C2 ZINC001172110826 1137537237 /nfs/dbraw/zinc/53/72/37/1137537237.db2.gz PRMWCFCCCACHIP-ZSOGYDGISA-N 2 1 343.334 3.658 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC001172112413 1137537664 /nfs/dbraw/zinc/53/76/64/1137537664.db2.gz VXFOAHWGMXYUES-REBRKWNGSA-N 2 1 338.293 3.510 20 0 EHADMP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113801 1137537553 /nfs/dbraw/zinc/53/75/53/1137537553.db2.gz MLXACDILQNMNFL-LMCOJAPRSA-N 2 1 330.516 3.963 20 0 EHADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113801 1137537555 /nfs/dbraw/zinc/53/75/55/1137537555.db2.gz MLXACDILQNMNFL-LMCOJAPRSA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113801 1137537556 /nfs/dbraw/zinc/53/75/56/1137537556.db2.gz MLXACDILQNMNFL-LMCOJAPRSA-N 2 1 330.516 3.963 20 0 EHADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113801 1137537558 /nfs/dbraw/zinc/53/75/58/1137537558.db2.gz MLXACDILQNMNFL-LMCOJAPRSA-N 2 1 330.516 3.963 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)cn1 ZINC001172112413 1137537662 /nfs/dbraw/zinc/53/76/62/1137537662.db2.gz VXFOAHWGMXYUES-REBRKWNGSA-N 2 1 338.293 3.510 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113808 1137537705 /nfs/dbraw/zinc/53/77/05/1137537705.db2.gz MODLEHXTNQPETP-MIUGBVLSSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113808 1137537707 /nfs/dbraw/zinc/53/77/07/1137537707.db2.gz MODLEHXTNQPETP-MIUGBVLSSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113808 1137537708 /nfs/dbraw/zinc/53/77/08/1137537708.db2.gz MODLEHXTNQPETP-MIUGBVLSSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118277 1137538280 /nfs/dbraw/zinc/53/82/80/1137538280.db2.gz QWAQRAWDIXOQBH-MUJYYYPQSA-N 2 1 337.305 3.862 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1Cc3cccc(Br)c3C1)C2 ZINC001172124250 1137538850 /nfs/dbraw/zinc/53/88/50/1137538850.db2.gz JUOHNLXDSFZGGO-QDMKHBRRSA-N 2 1 335.289 3.780 20 0 EHADMP COc1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172123231 1137538835 /nfs/dbraw/zinc/53/88/35/1137538835.db2.gz YSGOKRMAPCZDKH-MANSERQUSA-N 2 1 344.499 3.856 20 0 EHADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172123231 1137538837 /nfs/dbraw/zinc/53/88/37/1137538837.db2.gz YSGOKRMAPCZDKH-MANSERQUSA-N 2 1 344.499 3.856 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccc(Br)c3C1)C2 ZINC001172124250 1137538852 /nfs/dbraw/zinc/53/88/52/1137538852.db2.gz JUOHNLXDSFZGGO-QDMKHBRRSA-N 2 1 335.289 3.780 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccc(Br)c3C1)C2 ZINC001172124250 1137538854 /nfs/dbraw/zinc/53/88/54/1137538854.db2.gz JUOHNLXDSFZGGO-QDMKHBRRSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3cccc(Br)c3C1)C2 ZINC001172124250 1137538855 /nfs/dbraw/zinc/53/88/55/1137538855.db2.gz JUOHNLXDSFZGGO-QDMKHBRRSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3cccc(Br)c3C1)C2 ZINC001172124250 1137538857 /nfs/dbraw/zinc/53/88/57/1137538857.db2.gz JUOHNLXDSFZGGO-QDMKHBRRSA-N 2 1 335.289 3.780 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172326517 1137547614 /nfs/dbraw/zinc/54/76/14/1137547614.db2.gz BLKMSPGCDAIFRJ-OALUTQOASA-N 2 1 332.532 3.877 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172326525 1137547663 /nfs/dbraw/zinc/54/76/63/1137547663.db2.gz BLKMSPGCDAIFRJ-RBUKOAKNSA-N 2 1 332.532 3.877 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C[C@@H]1C ZINC001172373531 1137549264 /nfs/dbraw/zinc/54/92/64/1137549264.db2.gz AHYSHJZFRGRGAC-HBFSDRIKSA-N 2 1 344.547 3.675 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031559 1137566277 /nfs/dbraw/zinc/56/62/77/1137566277.db2.gz KLCFQORGFKTVMK-NHCUHLMSSA-N 2 1 342.527 3.632 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872032479 1137566531 /nfs/dbraw/zinc/56/65/31/1137566531.db2.gz UXCGYBSHKQTXPR-UZLBHIALSA-N 2 1 347.478 3.593 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC000872148961 1137574034 /nfs/dbraw/zinc/57/40/34/1137574034.db2.gz JMSSSRDYFGCGLO-DZUCGIPZSA-N 2 1 326.406 3.639 20 0 EHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1)C1CCCC1 ZINC000872156173 1137574257 /nfs/dbraw/zinc/57/42/57/1137574257.db2.gz FUOPFGGPXKOINK-CRAIPNDOSA-N 2 1 331.504 3.673 20 0 EHADMP Fc1cccc(F)c1C1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCC1 ZINC000873212589 1137594034 /nfs/dbraw/zinc/59/40/34/1137594034.db2.gz OTLIOTNAORTOJM-UHFFFAOYSA-N 2 1 334.435 3.841 20 0 EHADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232312 1137594603 /nfs/dbraw/zinc/59/46/03/1137594603.db2.gz PDGWYPXLJWZLIQ-ZBFHGGJFSA-N 2 1 338.927 3.502 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232312 1137594604 /nfs/dbraw/zinc/59/46/04/1137594604.db2.gz PDGWYPXLJWZLIQ-ZBFHGGJFSA-N 2 1 338.927 3.502 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000876719010 1137659644 /nfs/dbraw/zinc/65/96/44/1137659644.db2.gz AXENAMYFWVNSAW-BSIFCXSSSA-N 2 1 341.499 3.532 20 0 EHADMP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)sn1 ZINC000876865944 1137664172 /nfs/dbraw/zinc/66/41/72/1137664172.db2.gz KSFUYDAGYXXQED-UHFFFAOYSA-N 2 1 344.528 3.842 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000876931997 1137665546 /nfs/dbraw/zinc/66/55/46/1137665546.db2.gz AQCNZBDGKODGSZ-OAHLLOKOSA-N 2 1 344.890 3.652 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000876931997 1137665547 /nfs/dbraw/zinc/66/55/47/1137665547.db2.gz AQCNZBDGKODGSZ-OAHLLOKOSA-N 2 1 344.890 3.652 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000876938094 1137665723 /nfs/dbraw/zinc/66/57/23/1137665723.db2.gz PMEBFNVEUNIKBB-JLDZCNIISA-N 2 1 332.469 3.810 20 0 EHADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876989426 1137667173 /nfs/dbraw/zinc/66/71/73/1137667173.db2.gz YUWHCFORQNKENA-HZPDHXFCSA-N 2 1 327.299 3.682 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000877115306 1137670348 /nfs/dbraw/zinc/67/03/48/1137670348.db2.gz LZPYSAHUPLWKAA-JKSBSHDWSA-N 2 1 332.469 3.667 20 0 EHADMP Cc1sc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000877533053 1137680184 /nfs/dbraw/zinc/68/01/84/1137680184.db2.gz YRSUIEYAAUZDDV-QMTHXVAHSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000877533053 1137680185 /nfs/dbraw/zinc/68/01/85/1137680185.db2.gz YRSUIEYAAUZDDV-QMTHXVAHSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000877533053 1137680186 /nfs/dbraw/zinc/68/01/86/1137680186.db2.gz YRSUIEYAAUZDDV-QMTHXVAHSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000877533053 1137680183 /nfs/dbraw/zinc/68/01/83/1137680183.db2.gz YRSUIEYAAUZDDV-QMTHXVAHSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000877533052 1137680216 /nfs/dbraw/zinc/68/02/16/1137680216.db2.gz YRSUIEYAAUZDDV-IINYFYTJSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000877533052 1137680217 /nfs/dbraw/zinc/68/02/17/1137680217.db2.gz YRSUIEYAAUZDDV-IINYFYTJSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000877533052 1137680218 /nfs/dbraw/zinc/68/02/18/1137680218.db2.gz YRSUIEYAAUZDDV-IINYFYTJSA-N 2 1 331.323 3.591 20 0 EHADMP Cc1sc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000877533052 1137680219 /nfs/dbraw/zinc/68/02/19/1137680219.db2.gz YRSUIEYAAUZDDV-IINYFYTJSA-N 2 1 331.323 3.591 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[N@@H+]2C2CC2)cc1 ZINC000877804845 1137690494 /nfs/dbraw/zinc/69/04/94/1137690494.db2.gz FHEWIPWGEBIPJR-ITEKTMBMSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[N@H+]2C2CC2)cc1 ZINC000877804845 1137690495 /nfs/dbraw/zinc/69/04/95/1137690495.db2.gz FHEWIPWGEBIPJR-ITEKTMBMSA-N 2 1 340.511 3.902 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000129312534 1137817044 /nfs/dbraw/zinc/81/70/44/1137817044.db2.gz SUHJBWQPRYZLFK-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000129312534 1137817045 /nfs/dbraw/zinc/81/70/45/1137817045.db2.gz SUHJBWQPRYZLFK-UHFFFAOYSA-N 2 1 328.847 3.915 20 0 EHADMP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCOCC2)cc1 ZINC000883173921 1137847181 /nfs/dbraw/zinc/84/71/81/1137847181.db2.gz WYNMUDHRCQKYNH-ZCNNSNEGSA-N 2 1 332.463 3.510 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCOC1 ZINC000883351940 1137857055 /nfs/dbraw/zinc/85/70/55/1137857055.db2.gz OVIGWLVPTDNYGV-NQIIRXRSSA-N 2 1 348.506 3.627 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC001202561859 1137876203 /nfs/dbraw/zinc/87/62/03/1137876203.db2.gz MFJQFPLFEDQSIJ-DFQSSKMNSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001202561859 1137876204 /nfs/dbraw/zinc/87/62/04/1137876204.db2.gz MFJQFPLFEDQSIJ-DFQSSKMNSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001202561859 1137876205 /nfs/dbraw/zinc/87/62/05/1137876205.db2.gz MFJQFPLFEDQSIJ-DFQSSKMNSA-N 2 1 348.556 3.707 20 0 EHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001202656083 1137908987 /nfs/dbraw/zinc/90/89/87/1137908987.db2.gz QXEVOLPAIYAIJN-ULQDDVLXSA-N 2 1 341.540 3.532 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001202656083 1137908988 /nfs/dbraw/zinc/90/89/88/1137908988.db2.gz QXEVOLPAIYAIJN-ULQDDVLXSA-N 2 1 341.540 3.532 20 0 EHADMP Cc1cc(N2CCC([NH2+]C/C=C\c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000886009875 1138031803 /nfs/dbraw/zinc/03/18/03/1138031803.db2.gz AJDTXNDYADOAHQ-XQRVVYSFSA-N 2 1 340.446 3.504 20 0 EHADMP Cc1cn[nH]c1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000886269407 1138062905 /nfs/dbraw/zinc/06/29/05/1138062905.db2.gz UOMVNMIHLKWFNB-UHFFFAOYSA-N 2 1 338.499 3.596 20 0 EHADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886536347 1138092632 /nfs/dbraw/zinc/09/26/32/1138092632.db2.gz GFUDMACNZDSLAV-MNAPGUCWSA-N 2 1 335.495 3.655 20 0 EHADMP CCn1cc([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886622169 1138103113 /nfs/dbraw/zinc/10/31/13/1138103113.db2.gz LSGZNASMKJTERN-GIUOSPMZSA-N 2 1 338.499 3.607 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886625085 1138103123 /nfs/dbraw/zinc/10/31/23/1138103123.db2.gz IHEYBFGYUWEUSY-UYIOJHFGSA-N 2 1 342.527 3.833 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886625087 1138103316 /nfs/dbraw/zinc/10/33/16/1138103316.db2.gz IHEYBFGYUWEUSY-ZGFYZEPBSA-N 2 1 342.527 3.833 20 0 EHADMP COC1([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886626462 1138103662 /nfs/dbraw/zinc/10/36/62/1138103662.db2.gz BXJSILMZDGPPQO-FFGOWVMKSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886631761 1138103968 /nfs/dbraw/zinc/10/39/68/1138103968.db2.gz WERIUCVNLDKDHD-ALGQRKQJSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886631762 1138104161 /nfs/dbraw/zinc/10/41/61/1138104161.db2.gz WERIUCVNLDKDHD-QGLKVJOYSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716278 1138213138 /nfs/dbraw/zinc/21/31/38/1138213138.db2.gz VKBGVECUYBCFQX-CPUCHLNUSA-N 2 1 344.421 3.584 20 0 EHADMP C/C(=C\c1ccccc1)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000092665497 1138230065 /nfs/dbraw/zinc/23/00/65/1138230065.db2.gz HQUPWONHKIUPQH-VIUSAGFSSA-N 2 1 341.543 3.580 20 0 EHADMP Cc1ncsc1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821682 1138232000 /nfs/dbraw/zinc/23/20/00/1138232000.db2.gz AICQAKMXUAKFJP-UHFFFAOYSA-N 2 1 344.528 3.628 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000127420769 1138357280 /nfs/dbraw/zinc/35/72/80/1138357280.db2.gz GQLAYUWDMDEVKU-UHFFFAOYSA-N 2 1 338.430 3.991 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000127420769 1138357283 /nfs/dbraw/zinc/35/72/83/1138357283.db2.gz GQLAYUWDMDEVKU-UHFFFAOYSA-N 2 1 338.430 3.991 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1C ZINC000337393372 1138554638 /nfs/dbraw/zinc/55/46/38/1138554638.db2.gz OMHNMNYBPNNDHJ-SFHVURJKSA-N 2 1 339.483 3.916 20 0 EHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000337945415 1138704034 /nfs/dbraw/zinc/70/40/34/1138704034.db2.gz JRJMQPKORMKREB-INIZCTEOSA-N 2 1 346.494 3.993 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1F ZINC000153454564 1139137875 /nfs/dbraw/zinc/13/78/75/1139137875.db2.gz XJDAPQPAATXTTP-SJORKVTESA-N 2 1 342.458 3.897 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1F ZINC000153454564 1139137881 /nfs/dbraw/zinc/13/78/81/1139137881.db2.gz XJDAPQPAATXTTP-SJORKVTESA-N 2 1 342.458 3.897 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccsc3)cc2)CC1 ZINC000178132888 1139672498 /nfs/dbraw/zinc/67/24/98/1139672498.db2.gz HNSNOFYGJJRMGY-KRWDZBQOSA-N 2 1 343.540 3.736 20 0 EHADMP Clc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000178954978 1139726739 /nfs/dbraw/zinc/72/67/39/1139726739.db2.gz GJUGQRNOIWFZKF-RTBURBONSA-N 2 1 348.918 3.605 20 0 EHADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)oc1C ZINC000181033047 1139880468 /nfs/dbraw/zinc/88/04/68/1139880468.db2.gz XZFJXHZQCMLZLI-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)oc1C ZINC000181033047 1139880476 /nfs/dbraw/zinc/88/04/76/1139880476.db2.gz XZFJXHZQCMLZLI-UHFFFAOYSA-N 2 1 344.455 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000181573964 1139916603 /nfs/dbraw/zinc/91/66/03/1139916603.db2.gz GOQPYLWLIRCEKC-LZQZEXGQSA-N 2 1 343.446 3.613 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000181573948 1139916716 /nfs/dbraw/zinc/91/67/16/1139916716.db2.gz GOQPYLWLIRCEKC-SNRMKQJTSA-N 2 1 343.446 3.613 20 0 EHADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)oc21 ZINC000181693815 1139925269 /nfs/dbraw/zinc/92/52/69/1139925269.db2.gz NLCYDJVJMYCYOD-ZIAGYGMSSA-N 2 1 327.428 3.933 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc([S@](C)=O)cc1 ZINC000183197853 1140018951 /nfs/dbraw/zinc/01/89/51/1140018951.db2.gz ARAWLAUVPGDBEH-JIYWGDOCSA-N 2 1 348.556 3.728 20 0 EHADMP CCSc1cccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000185564356 1140156122 /nfs/dbraw/zinc/15/61/22/1140156122.db2.gz FBXRDGFGUAVTNE-UHFFFAOYSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707712 1140164838 /nfs/dbraw/zinc/16/48/38/1140164838.db2.gz KDKKFVUZYMEVHH-LSDHHAIUSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707712 1140164839 /nfs/dbraw/zinc/16/48/39/1140164839.db2.gz KDKKFVUZYMEVHH-LSDHHAIUSA-N 2 1 349.906 3.521 20 0 EHADMP Cc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715696 1140165850 /nfs/dbraw/zinc/16/58/50/1140165850.db2.gz QEGMBZVHYNFPFI-MSOLQXFVSA-N 2 1 343.515 3.566 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000190771138 1140417743 /nfs/dbraw/zinc/41/77/43/1140417743.db2.gz IYDHDPXWDRBBHD-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000190771138 1140417746 /nfs/dbraw/zinc/41/77/46/1140417746.db2.gz IYDHDPXWDRBBHD-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000190955832 1140428236 /nfs/dbraw/zinc/42/82/36/1140428236.db2.gz ZVOOWHHRVILVSZ-UHFFFAOYSA-N 2 1 337.261 3.784 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000190955832 1140428239 /nfs/dbraw/zinc/42/82/39/1140428239.db2.gz ZVOOWHHRVILVSZ-UHFFFAOYSA-N 2 1 337.261 3.784 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CCS2 ZINC000191510192 1140469597 /nfs/dbraw/zinc/46/95/97/1140469597.db2.gz IZTNTXNUFUIHEQ-GUYCJALGSA-N 2 1 331.485 3.663 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192717505 1140546765 /nfs/dbraw/zinc/54/67/65/1140546765.db2.gz RDUJDSPNXJDHEX-FQEVSTJZSA-N 2 1 349.950 3.893 20 0 EHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429575976 1140573597 /nfs/dbraw/zinc/57/35/97/1140573597.db2.gz FGRSGERPROJBHP-SJKOYZFVSA-N 2 1 331.847 3.601 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000268913069 1141024307 /nfs/dbraw/zinc/02/43/07/1141024307.db2.gz ZHZKQGWTYPOFBW-NSHDSACASA-N 2 1 340.240 3.834 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923244 1141025663 /nfs/dbraw/zinc/02/56/63/1141025663.db2.gz PHOFZEFKFGXOOA-VLCRHTCISA-N 2 1 338.495 3.529 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000268986278 1141039588 /nfs/dbraw/zinc/03/95/88/1141039588.db2.gz LPGKCHOBEVGBLE-AUUYWEPGSA-N 2 1 341.480 3.801 20 0 EHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269864292 1141152514 /nfs/dbraw/zinc/15/25/14/1141152514.db2.gz KFHJTBBZJIUIEW-GOSISDBHSA-N 2 1 346.421 3.682 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507112 1141233349 /nfs/dbraw/zinc/23/33/49/1141233349.db2.gz ORPVXVVVWAIENL-AEFFLSMTSA-N 2 1 344.524 3.803 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507112 1141233354 /nfs/dbraw/zinc/23/33/54/1141233354.db2.gz ORPVXVVVWAIENL-AEFFLSMTSA-N 2 1 344.524 3.803 20 0 EHADMP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000270819099 1141274811 /nfs/dbraw/zinc/27/48/11/1141274811.db2.gz AWOJSKSVDSPCFP-FQEVSTJZSA-N 2 1 339.414 3.718 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OCC(C)C ZINC000271605579 1141405248 /nfs/dbraw/zinc/40/52/48/1141405248.db2.gz ABILSPKPGHKHCM-INIZCTEOSA-N 2 1 345.487 3.976 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000037649423 525502835 /nfs/dbraw/zinc/50/28/35/525502835.db2.gz SPXKQYAJYFOEQE-VXGBXAGGSA-N 2 1 341.268 3.723 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275609556 564009665 /nfs/dbraw/zinc/00/96/65/564009665.db2.gz IMBJUVZIBWARJC-INIZCTEOSA-N 2 1 333.526 3.657 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCCC[NH2+]3)CC2)nc1 ZINC001164387751 718803643 /nfs/dbraw/zinc/80/36/43/718803643.db2.gz OBZJHASQAJMTLX-LJQANCHMSA-N 2 1 342.531 3.741 20 0 EHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)cc[nH+]2)CC3)cs1 ZINC001164691786 719802809 /nfs/dbraw/zinc/80/28/09/719802809.db2.gz JZHZNNAALIXMSB-UHFFFAOYSA-N 2 1 342.512 3.790 20 0 EHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)cc[nH+]2)CC3)cs1 ZINC001164691786 719802811 /nfs/dbraw/zinc/80/28/11/719802811.db2.gz JZHZNNAALIXMSB-UHFFFAOYSA-N 2 1 342.512 3.790 20 0 EHADMP c1ccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000683106552 1014329248 /nfs/dbraw/zinc/32/92/48/1014329248.db2.gz APOOJZCGFFUHGZ-HJNYFJLDSA-N 2 1 342.527 3.946 20 0 EHADMP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000339415750 1014379131 /nfs/dbraw/zinc/37/91/31/1014379131.db2.gz ULZXCRUVFGNZJX-FPOVZHCZSA-N 2 1 340.515 3.636 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424170 1014394354 /nfs/dbraw/zinc/39/43/54/1014394354.db2.gz YPQMQEFAGRXTTI-NVXWUHKLSA-N 2 1 330.451 3.536 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424170 1014394363 /nfs/dbraw/zinc/39/43/63/1014394363.db2.gz YPQMQEFAGRXTTI-NVXWUHKLSA-N 2 1 330.451 3.536 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ccn(C)n1 ZINC000579764150 1014410124 /nfs/dbraw/zinc/41/01/24/1014410124.db2.gz CITRBIXWFOJYPQ-FQEVSTJZSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)c(F)c1 ZINC000643546121 1014477113 /nfs/dbraw/zinc/47/71/13/1014477113.db2.gz IUQQSSKLPSHPJZ-YPMHNXCESA-N 2 1 341.268 3.914 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000339846360 1015740549 /nfs/dbraw/zinc/74/05/49/1015740549.db2.gz YJLOVXUREPPGJX-MRXNPFEDSA-N 2 1 348.450 3.961 20 0 EHADMP CCOC(C)(C)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209074550 1015781804 /nfs/dbraw/zinc/78/18/04/1015781804.db2.gz HJOJZBBZKSZART-UFYCRDLUSA-N 2 1 330.516 3.912 20 0 EHADMP CCOC(C)(C)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209074550 1015781811 /nfs/dbraw/zinc/78/18/11/1015781811.db2.gz HJOJZBBZKSZART-UFYCRDLUSA-N 2 1 330.516 3.912 20 0 EHADMP CCOC(C)(C)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209074550 1015781816 /nfs/dbraw/zinc/78/18/16/1015781816.db2.gz HJOJZBBZKSZART-UFYCRDLUSA-N 2 1 330.516 3.912 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278722513 1032135521 /nfs/dbraw/zinc/13/55/21/1032135521.db2.gz MHXHEXPHKORASN-FTSHXLFYSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)CC[N@H+]1C ZINC000155031729 1016062429 /nfs/dbraw/zinc/06/24/29/1016062429.db2.gz RBLJGMZQWJOGJZ-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459449299 1032137561 /nfs/dbraw/zinc/13/75/61/1032137561.db2.gz MSTCNNOSDFKRBL-CTNGQTDRSA-N 2 1 328.500 3.901 20 0 EHADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000387498040 1016254745 /nfs/dbraw/zinc/25/47/45/1016254745.db2.gz XHKGSCOBGUPXBI-PWRODBHTSA-N 2 1 341.543 3.551 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000387498040 1016254746 /nfs/dbraw/zinc/25/47/46/1016254746.db2.gz XHKGSCOBGUPXBI-PWRODBHTSA-N 2 1 341.543 3.551 20 0 EHADMP COCC1(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318039 1016498901 /nfs/dbraw/zinc/49/89/01/1016498901.db2.gz GTWNWMQUWMZMOE-AZUAARDMSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318039 1016498907 /nfs/dbraw/zinc/49/89/07/1016498907.db2.gz GTWNWMQUWMZMOE-AZUAARDMSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318039 1016498918 /nfs/dbraw/zinc/49/89/18/1016498918.db2.gz GTWNWMQUWMZMOE-AZUAARDMSA-N 2 1 330.516 3.788 20 0 EHADMP COCC1(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000361318039 1016498922 /nfs/dbraw/zinc/49/89/22/1016498922.db2.gz GTWNWMQUWMZMOE-AZUAARDMSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398187675 1016555409 /nfs/dbraw/zinc/55/54/09/1016555409.db2.gz YNGRDRCZKZIXDB-PXNSSMCTSA-N 2 1 348.494 3.643 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398187675 1016555421 /nfs/dbraw/zinc/55/54/21/1016555421.db2.gz YNGRDRCZKZIXDB-PXNSSMCTSA-N 2 1 348.494 3.643 20 0 EHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000340241280 1016763602 /nfs/dbraw/zinc/76/36/02/1016763602.db2.gz NULLUNIRPSWVBZ-MJGOQNOKSA-N 2 1 335.561 3.690 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000340241280 1016763608 /nfs/dbraw/zinc/76/36/08/1016763608.db2.gz NULLUNIRPSWVBZ-MJGOQNOKSA-N 2 1 335.561 3.690 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)sc1Br ZINC000510254151 1016776005 /nfs/dbraw/zinc/77/60/05/1016776005.db2.gz JNUIBTKAMDPCNX-GFCCVEGCSA-N 2 1 331.323 3.956 20 0 EHADMP CCC[C@H](CCO)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000376663368 1016964112 /nfs/dbraw/zinc/96/41/12/1016964112.db2.gz JJEBZOUGSNWTAP-KMFTYDHNSA-N 2 1 332.532 3.818 20 0 EHADMP C[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828557 1016966031 /nfs/dbraw/zinc/96/60/31/1016966031.db2.gz ZXGURLNUOHJKTJ-KCZVDYSFSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828557 1016966043 /nfs/dbraw/zinc/96/60/43/1016966043.db2.gz ZXGURLNUOHJKTJ-KCZVDYSFSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000547828557 1016966056 /nfs/dbraw/zinc/96/60/56/1016966056.db2.gz ZXGURLNUOHJKTJ-KCZVDYSFSA-N 3 1 343.559 3.609 20 0 EHADMP CCO[C@H](CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000547828098 1016976139 /nfs/dbraw/zinc/97/61/39/1016976139.db2.gz AMNHUKZMUCLXOV-HMXCVIKNSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000537953138 1017007370 /nfs/dbraw/zinc/00/73/70/1017007370.db2.gz HPBUSOQWIVEULB-GUYCJALGSA-N 2 1 349.931 3.936 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)[C@@H]2Sc2ccccc2)C1 ZINC000459457383 1032157321 /nfs/dbraw/zinc/15/73/21/1032157321.db2.gz CERNPRVWYPOESO-GSEOLPGOSA-N 2 1 348.556 3.646 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449070945 1032157439 /nfs/dbraw/zinc/15/74/39/1032157439.db2.gz GFQBRZQYWYJNET-CYBMUJFWSA-N 2 1 344.459 3.880 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(Cl)n1 ZINC000708507410 1032159566 /nfs/dbraw/zinc/15/95/66/1032159566.db2.gz VDMTVKBDNFIJLZ-DNVCBOLYSA-N 2 1 343.902 3.901 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000449153006 1032255505 /nfs/dbraw/zinc/25/55/05/1032255505.db2.gz IDIUIHTUPOZZOJ-AEFFLSMTSA-N 2 1 336.907 3.677 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000461108641 1032258968 /nfs/dbraw/zinc/25/89/68/1032258968.db2.gz NKRHASDSIQSZKW-SJLPKXTDSA-N 2 1 348.531 3.834 20 0 EHADMP COCC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000449163161 1032277427 /nfs/dbraw/zinc/27/74/27/1032277427.db2.gz VCVJHXWHTYKLLK-MPLMCADHSA-N 2 1 336.545 3.926 20 0 EHADMP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000449163161 1032277437 /nfs/dbraw/zinc/27/74/37/1032277437.db2.gz VCVJHXWHTYKLLK-MPLMCADHSA-N 2 1 336.545 3.926 20 0 EHADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C2CC2)c1 ZINC000536833034 1032327557 /nfs/dbraw/zinc/32/75/57/1032327557.db2.gz NSDPDPMYWMBHSO-KNQAVFIVSA-N 2 1 344.543 3.974 20 0 EHADMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000449238223 1032371974 /nfs/dbraw/zinc/37/19/74/1032371974.db2.gz FSLCYGKHTGRDGI-MRXNPFEDSA-N 2 1 344.478 3.580 20 0 EHADMP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000537016735 1032472555 /nfs/dbraw/zinc/47/25/55/1032472555.db2.gz UIZGDKWJDYHRGS-LVCYWYKZSA-N 2 1 348.531 3.871 20 0 EHADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000449396681 1032502612 /nfs/dbraw/zinc/50/26/12/1032502612.db2.gz MDJVXDVPDNAOSG-PCCBWWKXSA-N 2 1 349.522 3.859 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CF)CCOCC1 ZINC000449489351 1032650729 /nfs/dbraw/zinc/65/07/29/1032650729.db2.gz QVGCNKKTBWYGKT-UHFFFAOYSA-N 2 1 336.495 3.501 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924597870 1017105476 /nfs/dbraw/zinc/10/54/76/1017105476.db2.gz BHVWQWDYBSPXNR-INIZCTEOSA-N 2 1 331.504 3.806 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000317231809 1017405160 /nfs/dbraw/zinc/40/51/60/1017405160.db2.gz LHKZDOMQAWAUTN-CQSZACIVSA-N 2 1 346.302 3.627 20 0 EHADMP Cc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415055785 1017478686 /nfs/dbraw/zinc/47/86/86/1017478686.db2.gz RKBWNNVKWNLJIA-OCCSQVGLSA-N 2 1 343.334 3.783 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415055785 1017478693 /nfs/dbraw/zinc/47/86/93/1017478693.db2.gz RKBWNNVKWNLJIA-OCCSQVGLSA-N 2 1 343.334 3.783 20 0 EHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061124 1017489591 /nfs/dbraw/zinc/48/95/91/1017489591.db2.gz XZADFXSFPGZPCI-KMFTYDHNSA-N 2 1 343.559 3.549 20 0 EHADMP C[C@]1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655737182 1017495727 /nfs/dbraw/zinc/49/57/27/1017495727.db2.gz WRKBRGNBYIBSIR-RBBKRZOGSA-N 2 1 342.527 3.514 20 0 EHADMP C[C@@H]1C[NH+](CC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@@H](C)O1 ZINC000091478340 1032703405 /nfs/dbraw/zinc/70/34/05/1032703405.db2.gz LCPBTBTXUXSGQC-HUUCEWRRSA-N 2 1 345.512 3.622 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1Cl ZINC000415086400 1017529474 /nfs/dbraw/zinc/52/94/74/1017529474.db2.gz ROBGZSDRYXVDQI-WMZOPIPTSA-N 2 1 330.859 3.932 20 0 EHADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655754539 1017538051 /nfs/dbraw/zinc/53/80/51/1017538051.db2.gz CFRHYCDCTPYZTP-NQSCKRDGSA-N 2 1 342.527 3.933 20 0 EHADMP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000415111096 1017560393 /nfs/dbraw/zinc/56/03/93/1017560393.db2.gz BRRXKQDKWOKTMQ-QYZOEREBSA-N 3 1 329.532 3.539 20 0 EHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000415119323 1017574492 /nfs/dbraw/zinc/57/44/92/1017574492.db2.gz FHZIXNKBOQGJRG-DOTOQJQBSA-N 2 1 343.298 3.712 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000275604931 1017611835 /nfs/dbraw/zinc/61/18/35/1017611835.db2.gz QQNBYSFOIKSTJK-CHWSQXEVSA-N 2 1 339.361 3.695 20 0 EHADMP CCCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000340419127 1017692726 /nfs/dbraw/zinc/69/27/26/1017692726.db2.gz WSFGZMMTUIYXBP-QZTJIDSGSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000340419127 1017692736 /nfs/dbraw/zinc/69/27/36/1017692736.db2.gz WSFGZMMTUIYXBP-QZTJIDSGSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000340419127 1017692745 /nfs/dbraw/zinc/69/27/45/1017692745.db2.gz WSFGZMMTUIYXBP-QZTJIDSGSA-N 2 1 332.488 3.591 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892947130 1017894964 /nfs/dbraw/zinc/89/49/64/1017894964.db2.gz WTJDPMMJDFWQNF-CYBMUJFWSA-N 2 1 339.505 3.527 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892947130 1017894984 /nfs/dbraw/zinc/89/49/84/1017894984.db2.gz WTJDPMMJDFWQNF-CYBMUJFWSA-N 2 1 339.505 3.527 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470276 1017967338 /nfs/dbraw/zinc/96/73/38/1017967338.db2.gz NKKZNZBDSYLNFK-ICSRJNTNSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470275 1017967443 /nfs/dbraw/zinc/96/74/43/1017967443.db2.gz NKKZNZBDSYLNFK-AZUAARDMSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000574226272 1032747553 /nfs/dbraw/zinc/74/75/53/1032747553.db2.gz WKXFNFMLAJRGLB-MTFMMBMASA-N 2 1 329.532 3.578 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cnc1F ZINC000893022242 1018189187 /nfs/dbraw/zinc/18/91/87/1018189187.db2.gz ZXTHIBVIUVIEAZ-RDJZCZTQSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cnc1F ZINC000893022242 1018189200 /nfs/dbraw/zinc/18/92/00/1018189200.db2.gz ZXTHIBVIUVIEAZ-RDJZCZTQSA-N 2 1 333.476 3.763 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000275708309 1018207231 /nfs/dbraw/zinc/20/72/31/1018207231.db2.gz RHLQIRGLPVFXLI-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000275708309 1018207242 /nfs/dbraw/zinc/20/72/42/1018207242.db2.gz RHLQIRGLPVFXLI-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708309 1018207251 /nfs/dbraw/zinc/20/72/51/1018207251.db2.gz RHLQIRGLPVFXLI-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000275708309 1018207277 /nfs/dbraw/zinc/20/72/77/1018207277.db2.gz RHLQIRGLPVFXLI-WIYYLYMNSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340530395 1018234658 /nfs/dbraw/zinc/23/46/58/1018234658.db2.gz ZLVHFKKFELSECB-XMJMUYDCSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000289379038 1018353592 /nfs/dbraw/zinc/35/35/92/1018353592.db2.gz CDEPMZRTDDHLAC-KKSFZXQISA-N 2 1 335.451 3.955 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000580184515 1018756769 /nfs/dbraw/zinc/75/67/69/1018756769.db2.gz GAUPEUGHRZKKPK-OHWJTAOLSA-N 2 1 330.516 3.570 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000580184515 1018756782 /nfs/dbraw/zinc/75/67/82/1018756782.db2.gz GAUPEUGHRZKKPK-OHWJTAOLSA-N 2 1 330.516 3.570 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)C[C@@H]1c1ccccc1 ZINC000571424356 1018931343 /nfs/dbraw/zinc/93/13/43/1018931343.db2.gz JSXSNLQDQSNMAK-PKOBYXMFSA-N 2 1 330.422 3.932 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)C[C@@H]1c1ccccc1 ZINC000571424356 1018931352 /nfs/dbraw/zinc/93/13/52/1018931352.db2.gz JSXSNLQDQSNMAK-PKOBYXMFSA-N 2 1 330.422 3.932 20 0 EHADMP Cc1ccnc(N)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000894175261 1019062665 /nfs/dbraw/zinc/06/26/65/1019062665.db2.gz DXIAALQAWOSAIC-KRWDZBQOSA-N 2 1 338.499 3.636 20 0 EHADMP FC(F)(F)c1cccc(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727627 1019185525 /nfs/dbraw/zinc/18/55/25/1019185525.db2.gz GPRDRJRRSZQDPM-UHFFFAOYSA-N 2 1 326.406 3.714 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727645 1019189553 /nfs/dbraw/zinc/18/95/53/1019189553.db2.gz HYTXODRSXVNIGV-UHFFFAOYSA-N 2 1 338.536 3.746 20 0 EHADMP C[C@H]1C[C@@H](NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513225150 1019441370 /nfs/dbraw/zinc/44/13/70/1019441370.db2.gz ZVCCCLMYGMDBGU-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@@H](NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225150 1019441381 /nfs/dbraw/zinc/44/13/81/1019441381.db2.gz ZVCCCLMYGMDBGU-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@@H](NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000513225150 1019441389 /nfs/dbraw/zinc/44/13/89/1019441389.db2.gz ZVCCCLMYGMDBGU-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000155769637 1019533883 /nfs/dbraw/zinc/53/38/83/1019533883.db2.gz KVLYDCGAFYQYPW-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP COC1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513336006 1019552619 /nfs/dbraw/zinc/55/26/19/1019552619.db2.gz UUZZLSYJVKTKIE-YLJXDBKYSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513336006 1019552631 /nfs/dbraw/zinc/55/26/31/1019552631.db2.gz UUZZLSYJVKTKIE-YLJXDBKYSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CCSCC2)CC1 ZINC001204543041 1019604795 /nfs/dbraw/zinc/60/47/95/1019604795.db2.gz LFCWZIVOYOOYNS-UHFFFAOYSA-N 2 1 332.557 3.974 20 0 EHADMP C[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000513469707 1019722523 /nfs/dbraw/zinc/72/25/23/1019722523.db2.gz RNTAGHFLHCFZLL-IEBWSBKVSA-N 2 1 343.559 3.938 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000513469707 1019722540 /nfs/dbraw/zinc/72/25/40/1019722540.db2.gz RNTAGHFLHCFZLL-IEBWSBKVSA-N 2 1 343.559 3.938 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000513532225 1019801281 /nfs/dbraw/zinc/80/12/81/1019801281.db2.gz LGUXMHLGEBYIID-VKAVYKQESA-N 2 1 348.918 3.978 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000513545165 1019814242 /nfs/dbraw/zinc/81/42/42/1019814242.db2.gz ORLGOYPBQPSORI-XLIONFOSSA-N 2 1 348.494 3.953 20 0 EHADMP CC(C)CC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119583 1019943081 /nfs/dbraw/zinc/94/30/81/1019943081.db2.gz MPEUMNOOUCDMSB-OALUTQOASA-N 2 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000926119583 1019943090 /nfs/dbraw/zinc/94/30/90/1019943090.db2.gz MPEUMNOOUCDMSB-OALUTQOASA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119583 1019943097 /nfs/dbraw/zinc/94/30/97/1019943097.db2.gz MPEUMNOOUCDMSB-OALUTQOASA-N 3 1 335.580 3.740 20 0 EHADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000340749030 1019943551 /nfs/dbraw/zinc/94/35/51/1019943551.db2.gz ZISVZJJRCCCWSM-DACLVMHWSA-N 2 1 338.854 3.526 20 0 EHADMP CC[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000345185637 1020038487 /nfs/dbraw/zinc/03/84/87/1020038487.db2.gz DFNLAVANYJCGAL-HNNXBMFYSA-N 2 1 329.257 3.552 20 0 EHADMP CCCc1ncc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000449614843 1032885215 /nfs/dbraw/zinc/88/52/15/1032885215.db2.gz XGVKBZLZGKFJFB-FUHWJXTLSA-N 2 1 327.472 3.627 20 0 EHADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001167442283 1020351851 /nfs/dbraw/zinc/35/18/51/1020351851.db2.gz CCGJQACBBKLPQG-PZJWPPBQSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000235173783 1020419014 /nfs/dbraw/zinc/41/90/14/1020419014.db2.gz UVDCACZUOVWVKW-SNVBAGLBSA-N 2 1 331.685 3.662 20 0 EHADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CC(C)=C[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000581100439 1020425627 /nfs/dbraw/zinc/42/56/27/1020425627.db2.gz MXRBZPXOPNFTJX-KDOFPFPSSA-N 2 1 328.504 3.644 20 0 EHADMP O[C@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000345705808 1020461037 /nfs/dbraw/zinc/46/10/37/1020461037.db2.gz BAYXSQFDURWDRA-RTBURBONSA-N 2 1 336.907 3.618 20 0 EHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000349368305 1020490726 /nfs/dbraw/zinc/49/07/26/1020490726.db2.gz OGRLQVRKRPDMDN-UHFFFAOYSA-N 2 1 347.528 3.804 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000349368305 1020490731 /nfs/dbraw/zinc/49/07/31/1020490731.db2.gz OGRLQVRKRPDMDN-UHFFFAOYSA-N 2 1 347.528 3.804 20 0 EHADMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000065976548 1020517562 /nfs/dbraw/zinc/51/75/62/1020517562.db2.gz WEWKLVWAODKBQM-UHFFFAOYSA-N 2 1 334.895 3.512 20 0 EHADMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976548 1020517567 /nfs/dbraw/zinc/51/75/67/1020517567.db2.gz WEWKLVWAODKBQM-UHFFFAOYSA-N 2 1 334.895 3.512 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430542673 1020584877 /nfs/dbraw/zinc/58/48/77/1020584877.db2.gz CPOZLSWLBABGTD-QFBILLFUSA-N 2 1 342.458 3.964 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccc(F)cn3)C2)s1 ZINC000581313832 1020667276 /nfs/dbraw/zinc/66/72/76/1020667276.db2.gz TWIJORNZPJJQGK-OAHLLOKOSA-N 2 1 333.476 3.545 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085416 1020700448 /nfs/dbraw/zinc/70/04/48/1020700448.db2.gz ZGXRMOBVYDBJIM-NQIIRXRSSA-N 2 1 345.531 3.825 20 0 EHADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491118 1021145297 /nfs/dbraw/zinc/14/52/97/1021145297.db2.gz OGPFUXLSNYQHJB-HYVNUMGLSA-N 2 1 337.305 3.850 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246586 1021179248 /nfs/dbraw/zinc/17/92/48/1021179248.db2.gz KNDIMZLFYUCYPY-XNJGSVPQSA-N 2 1 337.305 3.899 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246586 1021179255 /nfs/dbraw/zinc/17/92/55/1021179255.db2.gz KNDIMZLFYUCYPY-XNJGSVPQSA-N 2 1 337.305 3.899 20 0 EHADMP CSC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000518450972 1021188786 /nfs/dbraw/zinc/18/87/86/1021188786.db2.gz KMDWWNJQAJGDAX-MOPGFXCFSA-N 2 1 330.541 3.726 20 0 EHADMP CSC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000518450972 1021188789 /nfs/dbraw/zinc/18/87/89/1021188789.db2.gz KMDWWNJQAJGDAX-MOPGFXCFSA-N 2 1 330.541 3.726 20 0 EHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167963822 1021217155 /nfs/dbraw/zinc/21/71/55/1021217155.db2.gz FJUXLGLYTOVADV-RAFMOHDBSA-N 2 1 348.918 3.759 20 0 EHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167963822 1021217163 /nfs/dbraw/zinc/21/71/63/1021217163.db2.gz FJUXLGLYTOVADV-RAFMOHDBSA-N 2 1 348.918 3.759 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427277776 1021274072 /nfs/dbraw/zinc/27/40/72/1021274072.db2.gz TWBZLIHBIGKDPW-QZTJIDSGSA-N 2 1 343.515 3.779 20 0 EHADMP COc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(C)C ZINC000656787009 1021350310 /nfs/dbraw/zinc/35/03/10/1021350310.db2.gz ZJBXVWQGDZMMEL-GOSISDBHSA-N 2 1 346.515 3.694 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cc1O ZINC000426354547 1021363075 /nfs/dbraw/zinc/36/30/75/1021363075.db2.gz TWYQSWORCYXXNY-IAGOWNOFSA-N 2 1 334.504 3.576 20 0 EHADMP Clc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964491 1021427676 /nfs/dbraw/zinc/42/76/76/1021427676.db2.gz RGSPHMCTGYCFRM-AYHJJNSGSA-N 2 1 334.891 3.714 20 0 EHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430648880 1021613712 /nfs/dbraw/zinc/61/37/12/1021613712.db2.gz RITIPSSOPYDKGU-HNNXBMFYSA-N 2 1 344.421 3.796 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000164608268 1021771820 /nfs/dbraw/zinc/77/18/20/1021771820.db2.gz BWCQRTGCQXREQN-AWEZNQCLSA-N 2 1 340.471 3.552 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000510467180 1021847032 /nfs/dbraw/zinc/84/70/32/1021847032.db2.gz HQRIWDMWRVXRSR-UHFFFAOYSA-N 2 1 343.284 3.894 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000510467180 1021847043 /nfs/dbraw/zinc/84/70/43/1021847043.db2.gz HQRIWDMWRVXRSR-UHFFFAOYSA-N 2 1 343.284 3.894 20 0 EHADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925022284 1021986503 /nfs/dbraw/zinc/98/65/03/1021986503.db2.gz FTWQNCVBSMIGLU-WBVHZDCISA-N 2 1 330.472 3.629 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000276662083 1022062886 /nfs/dbraw/zinc/06/28/86/1022062886.db2.gz QZAVOAMEAVQPDY-RCKXYERXSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000276662083 1022062910 /nfs/dbraw/zinc/06/29/10/1022062910.db2.gz QZAVOAMEAVQPDY-RCKXYERXSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000440332459 1022096559 /nfs/dbraw/zinc/09/65/59/1022096559.db2.gz DEUHQEVOYFBSEG-HZPDHXFCSA-N 2 1 344.528 3.663 20 0 EHADMP CC(C)OC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000130255437 1022129703 /nfs/dbraw/zinc/12/97/03/1022129703.db2.gz ARHOUPRQZPJCOY-UHFFFAOYSA-N 2 1 330.516 3.977 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000425922332 1022209450 /nfs/dbraw/zinc/20/94/50/1022209450.db2.gz JYAWQOGCMLLLEZ-HAGHYFMRSA-N 2 1 330.541 3.772 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc2c1NCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894435014 1022281104 /nfs/dbraw/zinc/28/11/04/1022281104.db2.gz ZLNNGZOWEBEGPS-VQIMIIECSA-N 2 1 327.516 3.787 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1C1CCCC1 ZINC000894479119 1022371877 /nfs/dbraw/zinc/37/18/77/1022371877.db2.gz KLVACOIVFRMMOA-UHFFFAOYSA-N 2 1 343.519 3.749 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1C1CCCC1 ZINC000894479119 1022371894 /nfs/dbraw/zinc/37/18/94/1022371894.db2.gz KLVACOIVFRMMOA-UHFFFAOYSA-N 2 1 343.519 3.749 20 0 EHADMP c1ccc(OCCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000438119184 1022384359 /nfs/dbraw/zinc/38/43/59/1022384359.db2.gz JKNPOXOYGFOOOW-WIYYLYMNSA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119184 1022384376 /nfs/dbraw/zinc/38/43/76/1022384376.db2.gz JKNPOXOYGFOOOW-WIYYLYMNSA-N 2 1 328.500 3.794 20 0 EHADMP c1ccc(OCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119184 1022384389 /nfs/dbraw/zinc/38/43/89/1022384389.db2.gz JKNPOXOYGFOOOW-WIYYLYMNSA-N 2 1 328.500 3.794 20 0 EHADMP COc1cccc2c1CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C2 ZINC000425949463 1022410394 /nfs/dbraw/zinc/41/03/94/1022410394.db2.gz IFQPNKBNZVLMIG-IEBWSBKVSA-N 2 1 330.516 3.654 20 0 EHADMP CC[N@@H+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995298 1022433182 /nfs/dbraw/zinc/43/31/82/1022433182.db2.gz ZNWHBSQABRDDEX-YOFSQIOKSA-N 2 1 328.500 3.923 20 0 EHADMP CC[NH+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995298 1022433194 /nfs/dbraw/zinc/43/31/94/1022433194.db2.gz ZNWHBSQABRDDEX-YOFSQIOKSA-N 2 1 328.500 3.923 20 0 EHADMP CC[NH+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995298 1022433199 /nfs/dbraw/zinc/43/31/99/1022433199.db2.gz ZNWHBSQABRDDEX-YOFSQIOKSA-N 2 1 328.500 3.923 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(Cl)CC3)CC2)cs1 ZINC000925030880 1022542607 /nfs/dbraw/zinc/54/26/07/1022542607.db2.gz KYEMCBZWYPKSPD-ZDUSSCGKSA-N 2 1 341.952 3.667 20 0 EHADMP C[C@@H](O)CCC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836007 1022687238 /nfs/dbraw/zinc/68/72/38/1022687238.db2.gz IEBCIDTVPRIQBQ-NQIIRXRSSA-N 2 1 344.543 3.770 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)oc2c1 ZINC000426046977 1022761191 /nfs/dbraw/zinc/76/11/91/1022761191.db2.gz YUMFOAUTVIFWGF-FUHWJXTLSA-N 2 1 330.472 3.629 20 0 EHADMP Cc1ncsc1CC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471871711 1022777750 /nfs/dbraw/zinc/77/77/50/1022777750.db2.gz MPFBPCNLVPBUEC-RTBURBONSA-N 2 1 343.540 3.666 20 0 EHADMP Fc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c1F ZINC000426059692 1022787580 /nfs/dbraw/zinc/78/75/80/1022787580.db2.gz FMJASBNQPOJEST-JKSUJKDBSA-N 2 1 334.454 3.993 20 0 EHADMP COc1c(F)cccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982064 1022792867 /nfs/dbraw/zinc/79/28/67/1022792867.db2.gz UZVFLLKGZBRNBN-HZTRTUMWSA-N 2 1 332.463 3.890 20 0 EHADMP COc1c(F)cccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982064 1022792875 /nfs/dbraw/zinc/79/28/75/1022792875.db2.gz UZVFLLKGZBRNBN-HZTRTUMWSA-N 2 1 332.463 3.890 20 0 EHADMP C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430963260 1022979633 /nfs/dbraw/zinc/97/96/33/1022979633.db2.gz TUYXPNVZFCKVRX-UZLBHIALSA-N 2 1 326.440 3.527 20 0 EHADMP C[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430963257 1022980729 /nfs/dbraw/zinc/98/07/29/1022980729.db2.gz TUYXPNVZFCKVRX-JXFKEZNVSA-N 2 1 326.440 3.527 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH2+]1 ZINC000414954985 1023004267 /nfs/dbraw/zinc/00/42/67/1023004267.db2.gz TVPOUZPXJQBYDW-OLZOCXBDSA-N 2 1 327.453 3.786 20 0 EHADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431016678 1023120765 /nfs/dbraw/zinc/12/07/65/1023120765.db2.gz KITIAOWGGOQJQX-ZDUSSCGKSA-N 2 1 334.414 3.568 20 0 EHADMP CC(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000607366929 1033108197 /nfs/dbraw/zinc/10/81/97/1033108197.db2.gz YOERHUIRCZCVFM-QFIPXVFZSA-N 2 1 338.495 3.537 20 0 EHADMP CC(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000607366929 1033108213 /nfs/dbraw/zinc/10/82/13/1033108213.db2.gz YOERHUIRCZCVFM-QFIPXVFZSA-N 2 1 338.495 3.537 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCS[C@H](C)CC2)CC1 ZINC000426386744 1023257311 /nfs/dbraw/zinc/25/73/11/1023257311.db2.gz ZKMSNPITONDAAZ-GOSISDBHSA-N 2 1 347.572 3.546 20 0 EHADMP CN(c1ccccc1C[N@@H+](C)C(C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000092704059 1023485126 /nfs/dbraw/zinc/48/51/26/1023485126.db2.gz VUQFJCNCFJILCT-UHFFFAOYSA-N 2 1 341.543 3.837 20 0 EHADMP COc1ccc(-c2nc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC000657189389 1023953778 /nfs/dbraw/zinc/95/37/78/1023953778.db2.gz OHSABQIDRNKXME-OAHLLOKOSA-N 2 1 345.512 3.640 20 0 EHADMP C[C@@H]1CC(NCC[C@H]2CCC[N@H+]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019786 1024003547 /nfs/dbraw/zinc/00/35/47/1024003547.db2.gz KBSDMBDWPHTPAP-DBXWQHBBSA-N 2 1 329.532 3.502 20 0 EHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCOC[C@@H]1C1CCCCC1)C2 ZINC001168002448 1024052738 /nfs/dbraw/zinc/05/27/38/1024052738.db2.gz SQDUAOHYXXFIIE-JGUMPVPUSA-N 2 1 332.532 3.673 20 0 EHADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001168002448 1024052752 /nfs/dbraw/zinc/05/27/52/1024052752.db2.gz SQDUAOHYXXFIIE-JGUMPVPUSA-N 2 1 332.532 3.673 20 0 EHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001168002448 1024052769 /nfs/dbraw/zinc/05/27/69/1024052769.db2.gz SQDUAOHYXXFIIE-JGUMPVPUSA-N 2 1 332.532 3.673 20 0 EHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001168002448 1024052788 /nfs/dbraw/zinc/05/27/88/1024052788.db2.gz SQDUAOHYXXFIIE-JGUMPVPUSA-N 2 1 332.532 3.673 20 0 EHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCOC[C@@H]1C1CCCCC1)C2 ZINC001168002448 1024052807 /nfs/dbraw/zinc/05/28/07/1024052807.db2.gz SQDUAOHYXXFIIE-JGUMPVPUSA-N 2 1 332.532 3.673 20 0 EHADMP COc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1OC(F)F ZINC000151171760 1024067239 /nfs/dbraw/zinc/06/72/39/1024067239.db2.gz NNNSSONSSQEZAH-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC(F)F ZINC000151171760 1024067252 /nfs/dbraw/zinc/06/72/52/1024067252.db2.gz NNNSSONSSQEZAH-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC(F)F ZINC000151171760 1024067270 /nfs/dbraw/zinc/06/72/70/1024067270.db2.gz NNNSSONSSQEZAH-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC(F)F ZINC000151171760 1024067281 /nfs/dbraw/zinc/06/72/81/1024067281.db2.gz NNNSSONSSQEZAH-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC(F)F ZINC000151171760 1024067288 /nfs/dbraw/zinc/06/72/88/1024067288.db2.gz NNNSSONSSQEZAH-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1OC(F)F ZINC000151171694 1024067467 /nfs/dbraw/zinc/06/74/67/1024067467.db2.gz NNNSSONSSQEZAH-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC(F)F ZINC000151171694 1024067485 /nfs/dbraw/zinc/06/74/85/1024067485.db2.gz NNNSSONSSQEZAH-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC(F)F ZINC000151171694 1024067501 /nfs/dbraw/zinc/06/75/01/1024067501.db2.gz NNNSSONSSQEZAH-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OC(F)F ZINC000151171694 1024067516 /nfs/dbraw/zinc/06/75/16/1024067516.db2.gz NNNSSONSSQEZAH-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OC(F)F ZINC000151171694 1024067531 /nfs/dbraw/zinc/06/75/31/1024067531.db2.gz NNNSSONSSQEZAH-OAHLLOKOSA-N 2 1 342.430 3.603 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000925136983 1024082902 /nfs/dbraw/zinc/08/29/02/1024082902.db2.gz SHUZYGACJJROKJ-MDZRGWNJSA-N 2 1 329.513 3.747 20 0 EHADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000925136983 1024082916 /nfs/dbraw/zinc/08/29/16/1024082916.db2.gz SHUZYGACJJROKJ-MDZRGWNJSA-N 2 1 329.513 3.747 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCS1 ZINC000897796910 1033181631 /nfs/dbraw/zinc/18/16/31/1033181631.db2.gz AIOFEEUGKVMNOU-IBGZPJMESA-N 2 1 332.557 3.957 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105527 1024137413 /nfs/dbraw/zinc/13/74/13/1024137413.db2.gz RPRHAYBBAOFUNH-CZUORRHYSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@H+](CCC(=O)c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004815 1024257989 /nfs/dbraw/zinc/25/79/89/1024257989.db2.gz ZVUUDCAQCHKPSE-SJPCQFCGSA-N 2 1 332.513 3.658 20 0 EHADMP C[N@@H+](CCC(=O)c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004815 1024258003 /nfs/dbraw/zinc/25/80/03/1024258003.db2.gz ZVUUDCAQCHKPSE-SJPCQFCGSA-N 2 1 332.513 3.658 20 0 EHADMP C[NH+](CCC(=O)c1cccs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004815 1024258019 /nfs/dbraw/zinc/25/80/19/1024258019.db2.gz ZVUUDCAQCHKPSE-SJPCQFCGSA-N 2 1 332.513 3.658 20 0 EHADMP C[NH+](CCC(=O)c1cccs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004815 1024258031 /nfs/dbraw/zinc/25/80/31/1024258031.db2.gz ZVUUDCAQCHKPSE-SJPCQFCGSA-N 2 1 332.513 3.658 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430113826 1024383958 /nfs/dbraw/zinc/38/39/58/1024383958.db2.gz OEHBNPBCFAKFAW-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430113826 1024383968 /nfs/dbraw/zinc/38/39/68/1024383968.db2.gz OEHBNPBCFAKFAW-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430113826 1024383975 /nfs/dbraw/zinc/38/39/75/1024383975.db2.gz OEHBNPBCFAKFAW-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430113826 1024383990 /nfs/dbraw/zinc/38/39/90/1024383990.db2.gz OEHBNPBCFAKFAW-JOCHJYFZSA-N 2 1 336.479 3.890 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(O)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472035868 1024424719 /nfs/dbraw/zinc/42/47/19/1024424719.db2.gz BCLXOXVCDAUFGI-AEFFLSMTSA-N 2 1 342.458 3.922 20 0 EHADMP C[C@H]1CC([NH2+]C2CCC(CC[NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168029049 1024524522 /nfs/dbraw/zinc/52/45/22/1024524522.db2.gz SDEWJUSYJORJGA-DENAFPEJSA-N 2 1 343.559 3.925 20 0 EHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1ccc(Cl)cc1 ZINC000895463539 1024536096 /nfs/dbraw/zinc/53/60/96/1024536096.db2.gz WAIQSECSZWJAHL-JEQQUTEPSA-N 2 1 336.907 3.613 20 0 EHADMP CC1(C[N@H+]2CCC[C@@H]2c2ccccc2Br)CC[NH2+]CC1 ZINC001205000861 1024570340 /nfs/dbraw/zinc/57/03/40/1024570340.db2.gz LKDYBQWQQGQUGH-MRXNPFEDSA-N 2 1 337.305 3.976 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009084 1024637373 /nfs/dbraw/zinc/63/73/73/1024637373.db2.gz GTHZOZWVGHGYKN-VTYHHJSWSA-N 3 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168009084 1024637376 /nfs/dbraw/zinc/63/73/76/1024637376.db2.gz GTHZOZWVGHGYKN-VTYHHJSWSA-N 2 1 343.559 3.894 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2occc2C)CC1 ZINC000430122699 1024668446 /nfs/dbraw/zinc/66/84/46/1024668446.db2.gz KQIWGDCRTSWTSK-UHFFFAOYSA-N 2 1 341.499 3.752 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000346388881 1024678597 /nfs/dbraw/zinc/67/85/97/1024678597.db2.gz MZBNJNCJUWROEP-IBGZPJMESA-N 2 1 332.451 3.874 20 0 EHADMP c1ccc(Oc2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)nc1 ZINC000892098685 1024686892 /nfs/dbraw/zinc/68/68/92/1024686892.db2.gz LVHWDMUSYOCITQ-IBGZPJMESA-N 2 1 337.467 3.792 20 0 EHADMP c1ccc(Oc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)nc1 ZINC000892098685 1024686897 /nfs/dbraw/zinc/68/68/97/1024686897.db2.gz LVHWDMUSYOCITQ-IBGZPJMESA-N 2 1 337.467 3.792 20 0 EHADMP Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000665232001 1024687258 /nfs/dbraw/zinc/68/72/58/1024687258.db2.gz CVLVFDZZZXGABS-YPAWHYETSA-N 2 1 335.495 3.802 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000895694461 1024728877 /nfs/dbraw/zinc/72/88/77/1024728877.db2.gz UXSUEQNAKVKRNV-YLJXDBKYSA-N 2 1 330.516 3.549 20 0 EHADMP CCOC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000514803369 1024756998 /nfs/dbraw/zinc/75/69/98/1024756998.db2.gz YZXMRPBXBWDSQW-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000427827350 1024810621 /nfs/dbraw/zinc/81/06/21/1024810621.db2.gz QVCPQKYXNJPKEN-SJLPKXTDSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000427827350 1024810639 /nfs/dbraw/zinc/81/06/39/1024810639.db2.gz QVCPQKYXNJPKEN-SJLPKXTDSA-N 2 1 338.499 3.868 20 0 EHADMP CC(C)c1nc(CN2CCCC23CC[NH+](C)CC3)c2ccccn21 ZINC000514944663 1024903387 /nfs/dbraw/zinc/90/33/87/1024903387.db2.gz OJVKXUMUKWCADS-UHFFFAOYSA-N 2 1 326.488 3.518 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000639174421 1024922357 /nfs/dbraw/zinc/92/23/57/1024922357.db2.gz AUYYUWGTXRUPBD-UHFFFAOYSA-N 2 1 325.378 3.818 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000639174421 1024922366 /nfs/dbraw/zinc/92/23/66/1024922366.db2.gz AUYYUWGTXRUPBD-UHFFFAOYSA-N 2 1 325.378 3.818 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000105442595 1024941521 /nfs/dbraw/zinc/94/15/21/1024941521.db2.gz JFDNWFNJCAVTQY-LBPRGKRZSA-N 2 1 332.498 3.802 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346610739 1024950327 /nfs/dbraw/zinc/95/03/27/1024950327.db2.gz QPGLFYQVAJIBBT-YWZLYKJASA-N 2 1 338.430 3.741 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)c3cnc(C)cn3)C2)s1 ZINC000563217398 1024953653 /nfs/dbraw/zinc/95/36/53/1024953653.db2.gz OSLDBWUZDNWWGP-DLBZAZTESA-N 2 1 344.528 3.670 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[nH]c1C ZINC000657310979 1024955619 /nfs/dbraw/zinc/95/56/19/1024955619.db2.gz UPEOJXGOAYFSQG-OAHLLOKOSA-N 2 1 326.488 3.691 20 0 EHADMP Cc1nc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[nH]c1C ZINC000657310979 1024955626 /nfs/dbraw/zinc/95/56/26/1024955626.db2.gz UPEOJXGOAYFSQG-OAHLLOKOSA-N 2 1 326.488 3.691 20 0 EHADMP OC[C@@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060105 1024993191 /nfs/dbraw/zinc/99/31/91/1024993191.db2.gz VQYKEAUASDRGQH-LEWJYISDSA-N 2 1 342.527 3.714 20 0 EHADMP OC[C@@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515060105 1024993196 /nfs/dbraw/zinc/99/31/96/1024993196.db2.gz VQYKEAUASDRGQH-LEWJYISDSA-N 2 1 342.527 3.714 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657313075 1025003243 /nfs/dbraw/zinc/00/32/43/1025003243.db2.gz HEVSMPMBZKDQIF-MSOLQXFVSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657313075 1025003244 /nfs/dbraw/zinc/00/32/44/1025003244.db2.gz HEVSMPMBZKDQIF-MSOLQXFVSA-N 2 1 327.497 3.835 20 0 EHADMP COc1ccccc1CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000435640049 1025044356 /nfs/dbraw/zinc/04/43/56/1025044356.db2.gz YIJBJUDBKUJYLQ-FQEVSTJZSA-N 2 1 330.516 3.824 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000428227637 1025048480 /nfs/dbraw/zinc/04/84/80/1025048480.db2.gz SOFGSVYFPBDTMQ-ZRBLBEILSA-N 2 1 349.522 3.905 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000582055625 1025107337 /nfs/dbraw/zinc/10/73/37/1025107337.db2.gz ZDRMUACEZBDURQ-UHFFFAOYSA-N 2 1 344.421 3.965 20 0 EHADMP CCc1nc(C)cc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342390526 1025164068 /nfs/dbraw/zinc/16/40/68/1025164068.db2.gz ZXIDNXXBRRXUEK-IEBWSBKVSA-N 2 1 338.499 3.837 20 0 EHADMP C[C@H]1CC([N@@H+]2CCC[C@@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039229 1025222952 /nfs/dbraw/zinc/22/29/52/1025222952.db2.gz CJWLWFSBTWDPCK-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@H]1CC([N@H+]2CCC[C@@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039229 1025222956 /nfs/dbraw/zinc/22/29/56/1025222956.db2.gz CJWLWFSBTWDPCK-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP CC(C)Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC001168284899 1033268228 /nfs/dbraw/zinc/26/82/28/1033268228.db2.gz PHKYOJYHNOKJJN-PWRODBHTSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)[NH+]1CCCCC1 ZINC000346881728 1025251582 /nfs/dbraw/zinc/25/15/82/1025251582.db2.gz XPVFXIGDPHMFQV-RXVVDRJESA-N 2 1 338.499 3.615 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000657335432 1025270109 /nfs/dbraw/zinc/27/01/09/1025270109.db2.gz QDDXXAQBLRXZKV-QGZVFWFLSA-N 2 1 329.513 3.938 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014101 1025363006 /nfs/dbraw/zinc/36/30/06/1025363006.db2.gz JVBIDXXIPLWFKP-WKASQICBSA-N 2 1 330.516 3.569 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2C)c1 ZINC000474710240 1025376612 /nfs/dbraw/zinc/37/66/12/1025376612.db2.gz IJUOTCQPJKMOHJ-UHFFFAOYSA-N 2 1 348.494 3.922 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012376 1025409146 /nfs/dbraw/zinc/40/91/46/1025409146.db2.gz HLYVQWOKBAQXDE-WMZOPIPTSA-N 2 1 334.467 3.585 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000518838221 1025426610 /nfs/dbraw/zinc/42/66/10/1025426610.db2.gz QAIHWYFIGUXDJG-INIZCTEOSA-N 2 1 336.907 3.949 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000518838221 1025426620 /nfs/dbraw/zinc/42/66/20/1025426620.db2.gz QAIHWYFIGUXDJG-INIZCTEOSA-N 2 1 336.907 3.949 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474803834 1025503139 /nfs/dbraw/zinc/50/31/39/1025503139.db2.gz HVMQSRCWLFYBDP-HZEGPAAWSA-N 2 1 330.516 3.834 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474803834 1025503145 /nfs/dbraw/zinc/50/31/45/1025503145.db2.gz HVMQSRCWLFYBDP-HZEGPAAWSA-N 2 1 330.516 3.834 20 0 EHADMP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000347113901 1025521617 /nfs/dbraw/zinc/52/16/17/1025521617.db2.gz SKCONYMFOFFGDD-UHFFFAOYSA-N 2 1 330.394 3.592 20 0 EHADMP CCc1ccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000442870658 1025542829 /nfs/dbraw/zinc/54/28/29/1025542829.db2.gz GQZAMTDSVOVLHJ-HXUWFJFHSA-N 2 1 331.548 3.562 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000436300620 1025563177 /nfs/dbraw/zinc/56/31/77/1025563177.db2.gz KGAPXNOICPHMJA-CWJKEVGVSA-N 2 1 330.516 3.659 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000436300622 1025564191 /nfs/dbraw/zinc/56/41/91/1025564191.db2.gz KGAPXNOICPHMJA-WLRLJWMZSA-N 2 1 330.516 3.659 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314442 1025574661 /nfs/dbraw/zinc/57/46/61/1025574661.db2.gz NNSJCXDZWWSHGI-WNOSKKOXSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314442 1025574666 /nfs/dbraw/zinc/57/46/66/1025574666.db2.gz NNSJCXDZWWSHGI-WNOSKKOXSA-N 2 1 326.406 3.881 20 0 EHADMP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000521695003 1025595876 /nfs/dbraw/zinc/59/58/76/1025595876.db2.gz GYHFOFJQFCXGIW-LAUBAEHRSA-N 2 1 328.500 3.601 20 0 EHADMP CCC1(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000639251319 1025695738 /nfs/dbraw/zinc/69/57/38/1025695738.db2.gz JIBQTWHXMIAIOY-QFIPXVFZSA-N 2 1 344.543 3.941 20 0 EHADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530460108 1025872722 /nfs/dbraw/zinc/87/27/22/1025872722.db2.gz AYZBOAUGOBWANB-ZDUSSCGKSA-N 2 1 325.378 3.592 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040111 1025907279 /nfs/dbraw/zinc/90/72/79/1025907279.db2.gz ZEKHWYYODXNVRU-DENIHFKCSA-N 2 1 338.495 3.910 20 0 EHADMP [NH3+][C@@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000414889182 1026036112 /nfs/dbraw/zinc/03/61/12/1026036112.db2.gz KZKXSFBJOBIBFU-LBPRGKRZSA-N 2 1 326.284 3.551 20 0 EHADMP Cc1ccc(-c2cnn(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)c2)cc1 ZINC000738089442 1026068325 /nfs/dbraw/zinc/06/83/25/1026068325.db2.gz JPYBILATDFZWMG-UHFFFAOYSA-N 2 1 340.515 3.868 20 0 EHADMP CCCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000516215076 1026145259 /nfs/dbraw/zinc/14/52/59/1026145259.db2.gz DVWSHALSFVETRP-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000516215076 1026145263 /nfs/dbraw/zinc/14/52/63/1026145263.db2.gz DVWSHALSFVETRP-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000516215076 1026145268 /nfs/dbraw/zinc/14/52/68/1026145268.db2.gz DVWSHALSFVETRP-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000516215076 1026145276 /nfs/dbraw/zinc/14/52/76/1026145276.db2.gz DVWSHALSFVETRP-AEFFLSMTSA-N 2 1 334.504 3.646 20 0 EHADMP FC(F)(F)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000530625958 1026151572 /nfs/dbraw/zinc/15/15/72/1026151572.db2.gz WUEVRNLVFKYARN-KRWDZBQOSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000530625958 1026151578 /nfs/dbraw/zinc/15/15/78/1026151578.db2.gz WUEVRNLVFKYARN-KRWDZBQOSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530625958 1026151581 /nfs/dbraw/zinc/15/15/81/1026151581.db2.gz WUEVRNLVFKYARN-KRWDZBQOSA-N 2 1 326.406 3.927 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000530625958 1026151590 /nfs/dbraw/zinc/15/15/90/1026151590.db2.gz WUEVRNLVFKYARN-KRWDZBQOSA-N 2 1 326.406 3.927 20 0 EHADMP C[C@H]1CC([N@@H+](C)CCc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058087 1026318260 /nfs/dbraw/zinc/31/82/60/1026318260.db2.gz AVMPKTMNMCOAFL-OALUTQOASA-N 2 1 337.511 3.998 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000342571124 1026321466 /nfs/dbraw/zinc/32/14/66/1026321466.db2.gz CVQQQYRRGGPDPC-IAGOWNOFSA-N 2 1 337.389 3.907 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000249246502 1124747655 /nfs/dbraw/zinc/74/76/55/1124747655.db2.gz BEZWAJTXRQDZBF-BBRMVZONSA-N 2 1 325.294 3.577 20 0 EHADMP c1c2ccncc2sc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452257 1026513462 /nfs/dbraw/zinc/51/34/62/1026513462.db2.gz CTMUEEPGNTYMBO-QGZVFWFLSA-N 2 1 337.492 3.908 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000531143633 1026625774 /nfs/dbraw/zinc/62/57/74/1026625774.db2.gz CZMFWRDXPODAED-WFASDCNBSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000531143633 1026625780 /nfs/dbraw/zinc/62/57/80/1026625780.db2.gz CZMFWRDXPODAED-WFASDCNBSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143633 1026625784 /nfs/dbraw/zinc/62/57/84/1026625784.db2.gz CZMFWRDXPODAED-WFASDCNBSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143633 1026625787 /nfs/dbraw/zinc/62/57/87/1026625787.db2.gz CZMFWRDXPODAED-WFASDCNBSA-N 2 1 331.287 3.787 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000192918166 1026639881 /nfs/dbraw/zinc/63/98/81/1026639881.db2.gz XISJWUXASDIIPQ-OAQYLSRUSA-N 2 1 349.522 3.767 20 0 EHADMP Clc1ccc2nccc(N3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000301294828 1026753545 /nfs/dbraw/zinc/75/35/45/1026753545.db2.gz RRWWQIMPLKOAHF-UHFFFAOYSA-N 2 1 338.842 3.605 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccs2)CC1 ZINC000301303808 1026755771 /nfs/dbraw/zinc/75/57/71/1026755771.db2.gz YUUJAYOBLZLZLW-UHFFFAOYSA-N 2 1 327.428 3.758 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000075007601 1027095908 /nfs/dbraw/zinc/09/59/08/1027095908.db2.gz ZWQBUGGZPWQVDZ-UHFFFAOYSA-N 2 1 339.549 3.589 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632261 1027100889 /nfs/dbraw/zinc/10/08/89/1027100889.db2.gz VRTFRJTXIUVSCG-JKSUJKDBSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632261 1027100893 /nfs/dbraw/zinc/10/08/93/1027100893.db2.gz VRTFRJTXIUVSCG-JKSUJKDBSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632261 1027100896 /nfs/dbraw/zinc/10/08/96/1027100896.db2.gz VRTFRJTXIUVSCG-JKSUJKDBSA-N 2 1 333.545 3.686 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000513712658 1027213706 /nfs/dbraw/zinc/21/37/06/1027213706.db2.gz DZLOYSQYAZKEBW-BPUTZDHNSA-N 2 1 327.299 3.998 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694976 1027214127 /nfs/dbraw/zinc/21/41/27/1027214127.db2.gz UKOWRVGIRWXDEV-XQBPLPMBSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694976 1027214143 /nfs/dbraw/zinc/21/41/43/1027214143.db2.gz UKOWRVGIRWXDEV-XQBPLPMBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694976 1027214154 /nfs/dbraw/zinc/21/41/54/1027214154.db2.gz UKOWRVGIRWXDEV-XQBPLPMBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694976 1027214167 /nfs/dbraw/zinc/21/41/67/1027214167.db2.gz UKOWRVGIRWXDEV-XQBPLPMBSA-N 2 1 343.559 3.881 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000531701136 1027222787 /nfs/dbraw/zinc/22/27/87/1027222787.db2.gz XXNBMYVMMISAII-SEIRJHJZSA-N 2 1 343.559 3.778 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)CCCC2)CC1 ZINC000531719502 1027266602 /nfs/dbraw/zinc/26/66/02/1027266602.db2.gz XGXJBYIAYNLFDQ-RBUKOAKNSA-N 2 1 334.548 3.968 20 0 EHADMP C[NH+]1CCC(CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000302800631 1027301607 /nfs/dbraw/zinc/30/16/07/1027301607.db2.gz CFHRFCLWPRPBLW-UHFFFAOYSA-N 2 1 334.261 3.751 20 0 EHADMP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000501480478 1027311333 /nfs/dbraw/zinc/31/13/33/1027311333.db2.gz OPNNOMPRMPIXKC-UHFFFAOYSA-N 2 1 326.484 3.999 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453099518 1027323323 /nfs/dbraw/zinc/32/33/23/1027323323.db2.gz WFZFYQFLZXHECD-MOPGFXCFSA-N 2 1 336.907 3.504 20 0 EHADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)n1C1CC1 ZINC000123475717 1027331363 /nfs/dbraw/zinc/33/13/63/1027331363.db2.gz XIODRSOCZYTLHK-UHFFFAOYSA-N 2 1 345.531 3.676 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ncc(-c2ccccc2)n1C ZINC000453078661 1027332863 /nfs/dbraw/zinc/33/28/63/1027332863.db2.gz SAQRSOVYOCPVDM-KRWDZBQOSA-N 2 1 348.494 4.000 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115216 1027384192 /nfs/dbraw/zinc/38/41/92/1027384192.db2.gz WRIJBXVCQVTCNK-MSOLQXFVSA-N 2 1 340.515 3.858 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC000453115216 1027384200 /nfs/dbraw/zinc/38/42/00/1027384200.db2.gz WRIJBXVCQVTCNK-MSOLQXFVSA-N 2 1 340.515 3.858 20 0 EHADMP c1ccc2c(c1)CCC([NH2+]CC1([NH+]3CCCCC3)CCOCC1)CC2 ZINC000453144462 1027407401 /nfs/dbraw/zinc/40/74/01/1027407401.db2.gz NRBMOJRXXSMMQP-UHFFFAOYSA-N 2 1 342.527 3.559 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273430427 1027426079 /nfs/dbraw/zinc/42/60/79/1027426079.db2.gz VLWMHUQZWNDBFJ-HXUWFJFHSA-N 2 1 349.950 3.725 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000420311155 1027455727 /nfs/dbraw/zinc/45/57/27/1027455727.db2.gz NJDFZUWHEANFTE-RTBURBONSA-N 2 1 339.483 3.724 20 0 EHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000420311155 1027455744 /nfs/dbraw/zinc/45/57/44/1027455744.db2.gz NJDFZUWHEANFTE-RTBURBONSA-N 2 1 339.483 3.724 20 0 EHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)s1 ZINC000420326024 1027479211 /nfs/dbraw/zinc/47/92/11/1027479211.db2.gz WYLCHOMVYBJUSO-GDBMZVCRSA-N 2 1 347.528 3.758 20 0 EHADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000420361986 1027487660 /nfs/dbraw/zinc/48/76/60/1027487660.db2.gz AAKBHXITNWIXBW-GOEBONIOSA-N 2 1 326.406 3.884 20 0 EHADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453173006 1027492880 /nfs/dbraw/zinc/49/28/80/1027492880.db2.gz YFNGLBIQLZAMOI-NJDAHSKKSA-N 2 1 342.527 3.572 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000130622504 1027687881 /nfs/dbraw/zinc/68/78/81/1027687881.db2.gz HDYIONISMVFVAL-MRXNPFEDSA-N 2 1 345.450 3.722 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000523106700 1027729462 /nfs/dbraw/zinc/72/94/62/1027729462.db2.gz GDJHLSJORIWOAL-UHFFFAOYSA-N 2 1 326.484 3.720 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414666901 1027771026 /nfs/dbraw/zinc/77/10/26/1027771026.db2.gz XBJGCJPGHRASAK-APWZRJJASA-N 2 1 342.458 3.964 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000533395665 1027802522 /nfs/dbraw/zinc/80/25/22/1027802522.db2.gz RFMFDTAEMHUJHL-MLGOLLRUSA-N 2 1 343.284 3.750 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccccc2n1C ZINC000246150005 1027823882 /nfs/dbraw/zinc/82/38/82/1027823882.db2.gz SVTSTCZOIRSWSE-IAGOWNOFSA-N 2 1 328.504 3.736 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414685646 1027886603 /nfs/dbraw/zinc/88/66/03/1027886603.db2.gz DCMPTHMFICPZSX-APWZRJJASA-N 2 1 340.515 3.617 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422725130 1027890474 /nfs/dbraw/zinc/89/04/74/1027890474.db2.gz XNHHWYVDUNHWMF-JJRVBVJISA-N 2 1 345.453 3.804 20 0 EHADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000422746160 1027913404 /nfs/dbraw/zinc/91/34/04/1027913404.db2.gz WAVOUPSXZSGFKQ-HXUWFJFHSA-N 2 1 339.483 3.645 20 0 EHADMP COc1ccc(CC[N@@H+](CC(C)C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414691277 1027940192 /nfs/dbraw/zinc/94/01/92/1027940192.db2.gz BEFPRIUOGISEJU-HKUYNNGSSA-N 2 1 348.531 3.592 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000422762499 1027941080 /nfs/dbraw/zinc/94/10/80/1027941080.db2.gz IFQWJRHZZCUPNR-UEXGIBASSA-N 2 1 338.451 3.889 20 0 EHADMP CC[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422813942 1027962654 /nfs/dbraw/zinc/96/26/54/1027962654.db2.gz ZGKLKOFVHCOGNL-COPCDDAFSA-N 2 1 335.495 3.558 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422858491 1027998195 /nfs/dbraw/zinc/99/81/95/1027998195.db2.gz IUHZUEDZMWJONH-FDFHNCONSA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422858491 1027998205 /nfs/dbraw/zinc/99/82/05/1027998205.db2.gz IUHZUEDZMWJONH-FDFHNCONSA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422858491 1027998218 /nfs/dbraw/zinc/99/82/18/1027998218.db2.gz IUHZUEDZMWJONH-FDFHNCONSA-N 2 1 343.559 3.927 20 0 EHADMP CCOc1cc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC(F)F ZINC000246208887 1027998619 /nfs/dbraw/zinc/99/86/19/1027998619.db2.gz PCZRXNUUQCXVQT-ZFWWWQNUSA-N 2 1 342.430 3.507 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC(F)F ZINC000246208887 1027998632 /nfs/dbraw/zinc/99/86/32/1027998632.db2.gz PCZRXNUUQCXVQT-ZFWWWQNUSA-N 2 1 342.430 3.507 20 0 EHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883948 1028015994 /nfs/dbraw/zinc/01/59/94/1028015994.db2.gz VZAKANHQFJPTCP-WCIQWLHISA-N 2 1 345.531 3.625 20 0 EHADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422883545 1028020204 /nfs/dbraw/zinc/02/02/04/1028020204.db2.gz QSAOQVPSSFRYKQ-IRXDYDNUSA-N 2 1 338.499 3.719 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422885382 1028021090 /nfs/dbraw/zinc/02/10/90/1028021090.db2.gz UPWNSIRVMVHQFK-JUIKRRPHSA-N 2 1 341.543 3.537 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422886601 1028021962 /nfs/dbraw/zinc/02/19/62/1028021962.db2.gz XELPYGCOCGYTLW-HGJUEJDCSA-N 3 1 335.580 3.645 20 0 EHADMP C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)c1c[nH+]ccc1N ZINC000422907988 1028039042 /nfs/dbraw/zinc/03/90/42/1028039042.db2.gz COJQADULWQIHCW-ZDUSSCGKSA-N 2 1 330.501 3.892 20 0 EHADMP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422914668 1028048701 /nfs/dbraw/zinc/04/87/01/1028048701.db2.gz VJHOSXHFFFLUHF-UKRRQHHQSA-N 2 1 337.471 3.630 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000502268871 1028066669 /nfs/dbraw/zinc/06/66/69/1028066669.db2.gz NPKAYFSQRVFUBM-MSOLQXFVSA-N 2 1 348.531 3.797 20 0 EHADMP CC1CC[NH+](C2CCC(N[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)CC1 ZINC000422967361 1028078487 /nfs/dbraw/zinc/07/84/87/1028078487.db2.gz PBKDWVYVZYBGFX-MZZRDLGESA-N 2 1 327.516 3.764 20 0 EHADMP CC1CC[NH+](C2CCC([NH2+][C@H]3C[C@@H](N)c4ccccc43)CC2)CC1 ZINC000422967361 1028078507 /nfs/dbraw/zinc/07/85/07/1028078507.db2.gz PBKDWVYVZYBGFX-MZZRDLGESA-N 2 1 327.516 3.764 20 0 EHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000909606467 1028080005 /nfs/dbraw/zinc/08/00/05/1028080005.db2.gz OZKWIWOCEFCXNF-SFHVURJKSA-N 2 1 343.515 3.650 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422959973 1028096913 /nfs/dbraw/zinc/09/69/13/1028096913.db2.gz UWPZISZXSWLWDE-SJORKVTESA-N 2 1 331.257 3.992 20 0 EHADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422997524 1028113122 /nfs/dbraw/zinc/11/31/22/1028113122.db2.gz ODQLPCVBHOBYSC-NJYVYQBISA-N 2 1 329.532 3.580 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423067604 1028158441 /nfs/dbraw/zinc/15/84/41/1028158441.db2.gz ZYPZKALCNKSMHX-BZUAXINKSA-N 2 1 346.906 3.627 20 0 EHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000423097876 1028179406 /nfs/dbraw/zinc/17/94/06/1028179406.db2.gz RISHPCXEMFMANG-UMVBOHGHSA-N 2 1 340.309 3.806 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1OC ZINC000423131949 1028195558 /nfs/dbraw/zinc/19/55/58/1028195558.db2.gz UDKHILSZZLVPEN-MORSLUCNSA-N 2 1 326.440 3.808 20 0 EHADMP COc1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C(C)C)cc1 ZINC000423182858 1028228797 /nfs/dbraw/zinc/22/87/97/1028228797.db2.gz FWVVRWWTDWMUKU-FQEVSTJZSA-N 2 1 327.472 3.557 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CCC(CSC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423159967 1028234656 /nfs/dbraw/zinc/23/46/56/1028234656.db2.gz QDAGVJKSQDHPMJ-YHZLUUAOSA-N 2 1 348.556 4.000 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1Br ZINC000423168036 1028239219 /nfs/dbraw/zinc/23/92/19/1028239219.db2.gz UBVHRXMZGVUCTQ-DLBZAZTESA-N 2 1 331.257 3.992 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423168068 1028240464 /nfs/dbraw/zinc/24/04/64/1028240464.db2.gz GLDSBTGPLLJMEQ-RLNQZENFSA-N 2 1 338.442 3.902 20 0 EHADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000423182139 1028250749 /nfs/dbraw/zinc/25/07/49/1028250749.db2.gz PWDZGMVWKXLQDS-QHAWAJNXSA-N 2 1 341.543 3.538 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000423208148 1028253658 /nfs/dbraw/zinc/25/36/58/1028253658.db2.gz DDNOFTLKKJCXQB-SRVKXCTJSA-N 2 1 329.257 3.627 20 0 EHADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191294 1028262018 /nfs/dbraw/zinc/26/20/18/1028262018.db2.gz SROHXLXJWOZDNR-YWZLYKJASA-N 2 1 327.447 3.614 20 0 EHADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423194181 1028264258 /nfs/dbraw/zinc/26/42/58/1028264258.db2.gz YIGMQDOGEDWDOT-PMACEKPBSA-N 2 1 338.499 3.581 20 0 EHADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423265514 1028300426 /nfs/dbraw/zinc/30/04/26/1028300426.db2.gz BCAZRCZUVDRWGA-RDJZCZTQSA-N 2 1 327.497 3.823 20 0 EHADMP Cc1cc(N2CCC([NH2+]C3CC4(C3)CCCCC4)CC2)nc(C)[nH+]1 ZINC000421339564 1028307660 /nfs/dbraw/zinc/30/76/60/1028307660.db2.gz GUFWHOARYAICJM-UHFFFAOYSA-N 2 1 328.504 3.765 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000423249379 1028309564 /nfs/dbraw/zinc/30/95/64/1028309564.db2.gz SVZSZUIWVKEPBA-MYDTUXCISA-N 2 1 349.522 3.577 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423282105 1028323782 /nfs/dbraw/zinc/32/37/82/1028323782.db2.gz UWQQMMYADKQKOP-GKYDQMIMSA-N 3 1 329.532 3.537 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423269336 1028331897 /nfs/dbraw/zinc/33/18/97/1028331897.db2.gz FMJLCPAQYWZRBM-NVXWUHKLSA-N 2 1 343.496 3.523 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000423276740 1028337295 /nfs/dbraw/zinc/33/72/95/1028337295.db2.gz OYCOFTHRRHLEKK-GHMZBOCLSA-N 2 1 325.250 3.701 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CCC3)cc1 ZINC000423275702 1028339042 /nfs/dbraw/zinc/33/90/42/1028339042.db2.gz NMHLSHRILBLTRX-HOTGVXAUSA-N 2 1 345.512 3.769 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H](C)C[NH3+])c2ccccc2Cl)cc1OC ZINC000423311473 1028347539 /nfs/dbraw/zinc/34/75/39/1028347539.db2.gz TYSDZLPIKKHZCO-DJJJIMSYSA-N 2 1 348.874 3.631 20 0 EHADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319095 1028348169 /nfs/dbraw/zinc/34/81/69/1028348169.db2.gz LOHBRNLKOIBLIA-VBKZILBWSA-N 2 1 328.431 3.793 20 0 EHADMP c1cc(C[NH+]2CCCSCC2)cc(C[N@H+]2CCCSCC2)c1 ZINC000121518657 1028382277 /nfs/dbraw/zinc/38/22/77/1028382277.db2.gz SCQKXKCIGKTQGI-UHFFFAOYSA-N 2 1 336.570 3.564 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000423363600 1028388335 /nfs/dbraw/zinc/38/83/35/1028388335.db2.gz AQMJCZYNUXXTAS-MPKXVKKWSA-N 2 1 341.318 3.716 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000502591827 1028388966 /nfs/dbraw/zinc/38/89/66/1028388966.db2.gz CGPAIISGASXGGL-IKGGRYGDSA-N 2 1 332.479 3.539 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423418088 1028430517 /nfs/dbraw/zinc/43/05/17/1028430517.db2.gz GOONAJYIBQUQFC-KBAYOESNSA-N 3 1 326.488 3.596 20 0 EHADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479889 1028462022 /nfs/dbraw/zinc/46/20/22/1028462022.db2.gz VLKHHLWSQZSXEX-MOXGXCLJSA-N 2 1 341.474 3.827 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000423506729 1028471843 /nfs/dbraw/zinc/47/18/43/1028471843.db2.gz IQIZXUMNTYLRIE-OWXVKCJTSA-N 2 1 341.543 3.677 20 0 EHADMP C[NH+]1CCC([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459379989 1028475889 /nfs/dbraw/zinc/47/58/89/1028475889.db2.gz PVFVOGNZUNQAFZ-YVMONPNESA-N 2 1 336.479 3.963 20 0 EHADMP CC(C)C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccs1 ZINC000423519730 1028496249 /nfs/dbraw/zinc/49/62/49/1028496249.db2.gz QIXFAPYWVSJWJE-ABHNRTSZSA-N 2 1 335.561 3.641 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000162223087 1028516040 /nfs/dbraw/zinc/51/60/40/1028516040.db2.gz QIZRVBOODRWOGC-CQSZACIVSA-N 2 1 330.501 3.783 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3c4ccccc4C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000162257466 1028538265 /nfs/dbraw/zinc/53/82/65/1028538265.db2.gz IGQZOYZCGQUYOT-SPLOXXLWSA-N 2 1 336.483 3.585 20 0 EHADMP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)sc1Br ZINC000508519711 1028566188 /nfs/dbraw/zinc/56/61/88/1028566188.db2.gz WFRDRMBDDWUNDQ-GFCCVEGCSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)sc1Br ZINC000508519711 1028566200 /nfs/dbraw/zinc/56/62/00/1028566200.db2.gz WFRDRMBDDWUNDQ-GFCCVEGCSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000508519711 1028566211 /nfs/dbraw/zinc/56/62/11/1028566211.db2.gz WFRDRMBDDWUNDQ-GFCCVEGCSA-N 2 1 331.323 3.593 20 0 EHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)sc1Br ZINC000508519711 1028566217 /nfs/dbraw/zinc/56/62/17/1028566217.db2.gz WFRDRMBDDWUNDQ-GFCCVEGCSA-N 2 1 331.323 3.593 20 0 EHADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)cn1 ZINC000343001397 1028596937 /nfs/dbraw/zinc/59/69/37/1028596937.db2.gz SUGCMSXGAPODAB-LJQANCHMSA-N 2 1 347.418 3.938 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000246844551 1028702168 /nfs/dbraw/zinc/70/21/68/1028702168.db2.gz CHSRIQPNZVNLDC-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000245469910 1028722515 /nfs/dbraw/zinc/72/25/15/1028722515.db2.gz VRXFKEOSYCJMCZ-YOEHRIQHSA-N 2 1 344.421 3.593 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC000532746520 1028763450 /nfs/dbraw/zinc/76/34/50/1028763450.db2.gz OKAXURNLINWIPA-HSALFYBXSA-N 2 1 330.516 3.668 20 0 EHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771627 1028765371 /nfs/dbraw/zinc/76/53/71/1028765371.db2.gz ABOWKGVHJMQKFN-JKSUJKDBSA-N 2 1 345.487 3.771 20 0 EHADMP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCCC1 ZINC000421824810 1028811946 /nfs/dbraw/zinc/81/19/46/1028811946.db2.gz KKNBWVGSURURCH-CQSZACIVSA-N 2 1 331.435 3.757 20 0 EHADMP [NH3+][C@@H](CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)CC1CCCCC1 ZINC000424153169 1028842051 /nfs/dbraw/zinc/84/20/51/1028842051.db2.gz JQAQTAXWBLIKNT-IBGZPJMESA-N 2 1 349.563 3.541 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1C(F)(F)F ZINC000248123414 1028848229 /nfs/dbraw/zinc/84/82/29/1028848229.db2.gz NQBRCECMGNSDMM-GJZGRUSLSA-N 2 1 344.421 3.593 20 0 EHADMP Cn1c2ccccc2cc1[N@@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001212044706 1028880722 /nfs/dbraw/zinc/88/07/22/1028880722.db2.gz RPTSIWALQWTLKF-UHFFFAOYSA-N 2 1 332.382 3.837 20 0 EHADMP Cn1c2ccccc2cc1[N@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001212044706 1028880744 /nfs/dbraw/zinc/88/07/44/1028880744.db2.gz RPTSIWALQWTLKF-UHFFFAOYSA-N 2 1 332.382 3.837 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C)cc1 ZINC000248444549 1028902393 /nfs/dbraw/zinc/90/23/93/1028902393.db2.gz MATIZXAERIEDPM-YADHBBJMSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000248437876 1028903761 /nfs/dbraw/zinc/90/37/61/1028903761.db2.gz HIMINGOJIMHXBZ-LPHOPBHVSA-N 2 1 342.458 3.633 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245610839 1028921628 /nfs/dbraw/zinc/92/16/28/1028921628.db2.gz LFIGHJADEYSEDZ-IAGOWNOFSA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245610839 1028921642 /nfs/dbraw/zinc/92/16/42/1028921642.db2.gz LFIGHJADEYSEDZ-IAGOWNOFSA-N 2 1 333.501 3.621 20 0 EHADMP C[C@H]1CC2(C[N@H+]1CCOc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424302578 1028941294 /nfs/dbraw/zinc/94/12/94/1028941294.db2.gz ZYKGRAGQCHEQHS-AWEZNQCLSA-N 2 1 342.405 3.548 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424302580 1028942141 /nfs/dbraw/zinc/94/21/41/1028942141.db2.gz ZYKGRAGQCHEQHS-CQSZACIVSA-N 2 1 342.405 3.548 20 0 EHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280816 1028956067 /nfs/dbraw/zinc/95/60/67/1028956067.db2.gz HYZSZVZIECVFSQ-HIFRSBDPSA-N 2 1 335.492 3.888 20 0 EHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280812 1028956617 /nfs/dbraw/zinc/95/66/17/1028956617.db2.gz HYZSZVZIECVFSQ-DZGCQCFKSA-N 2 1 335.492 3.888 20 0 EHADMP COc1ccc(OC)c(CN(CC[C@@H]2CCC[N@H+]2C)C(C)(C)C)c1 ZINC000503062504 1029018638 /nfs/dbraw/zinc/01/86/38/1029018638.db2.gz JAZSWZOIMWPUTC-KRWDZBQOSA-N 2 1 334.504 3.789 20 0 EHADMP COc1ccc(OC)c(C[N@H+](CC[C@@H]2CCC[NH+]2C)C(C)(C)C)c1 ZINC000503062504 1029018652 /nfs/dbraw/zinc/01/86/52/1029018652.db2.gz JAZSWZOIMWPUTC-KRWDZBQOSA-N 2 1 334.504 3.789 20 0 EHADMP COc1ccc(OC)c(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C(C)(C)C)c1 ZINC000503062504 1029018669 /nfs/dbraw/zinc/01/86/69/1029018669.db2.gz JAZSWZOIMWPUTC-KRWDZBQOSA-N 2 1 334.504 3.789 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424382818 1029037187 /nfs/dbraw/zinc/03/71/87/1029037187.db2.gz SXXFJCYQSIEYDO-GFCCVEGCSA-N 2 1 330.369 3.809 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414786075 1029053097 /nfs/dbraw/zinc/05/30/97/1029053097.db2.gz TYZSKDXECXOXKW-RBUKOAKNSA-N 2 1 346.515 3.696 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414786070 1029053201 /nfs/dbraw/zinc/05/32/01/1029053201.db2.gz TYZSKDXECXOXKW-MOPGFXCFSA-N 2 1 346.515 3.696 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245729841 1029179790 /nfs/dbraw/zinc/17/97/90/1029179790.db2.gz VWQYJZQZUAWORS-QFBILLFUSA-N 2 1 340.471 3.528 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245729841 1029179800 /nfs/dbraw/zinc/17/98/00/1029179800.db2.gz VWQYJZQZUAWORS-QFBILLFUSA-N 2 1 340.471 3.528 20 0 EHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000583198034 1029200420 /nfs/dbraw/zinc/20/04/20/1029200420.db2.gz DBZSTDBBEONLHR-RBUKOAKNSA-N 2 1 329.488 3.565 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000245804448 1029322294 /nfs/dbraw/zinc/32/22/94/1029322294.db2.gz YGDMCHNUPBECJQ-FUHWJXTLSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000245804448 1029322305 /nfs/dbraw/zinc/32/23/05/1029322305.db2.gz YGDMCHNUPBECJQ-FUHWJXTLSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000245804448 1029322310 /nfs/dbraw/zinc/32/23/10/1029322310.db2.gz YGDMCHNUPBECJQ-FUHWJXTLSA-N 2 1 334.504 3.645 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164175 1029340112 /nfs/dbraw/zinc/34/01/12/1029340112.db2.gz GNFISHKJWROWOJ-PXNSSMCTSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162722359 1029349674 /nfs/dbraw/zinc/34/96/74/1029349674.db2.gz VEDZGADXJJWCGB-ZRGWGRIASA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162722359 1029349689 /nfs/dbraw/zinc/34/96/89/1029349689.db2.gz VEDZGADXJJWCGB-ZRGWGRIASA-N 2 1 343.446 3.831 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000245887544 1029423662 /nfs/dbraw/zinc/42/36/62/1029423662.db2.gz ANNBDJGDZQHLPF-GCJKJVERSA-N 2 1 337.511 3.613 20 0 EHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261538267 1029447594 /nfs/dbraw/zinc/44/75/94/1029447594.db2.gz VAZJTGLSUWRUGD-GHTZIAJQSA-N 2 1 329.532 3.551 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cc2)cc1 ZINC000261649654 1029467850 /nfs/dbraw/zinc/46/78/50/1029467850.db2.gz HDWHEMKMNKNZPW-FQEVSTJZSA-N 2 1 326.440 3.658 20 0 EHADMP C[C@@H]1CC[N@@H+](CCNCC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000524771151 1029499615 /nfs/dbraw/zinc/49/96/15/1029499615.db2.gz ICVREAPWCPZNRR-GFCCVEGCSA-N 2 1 341.282 3.701 20 0 EHADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000261964094 1029541827 /nfs/dbraw/zinc/54/18/27/1029541827.db2.gz AIWCEYYOBXQIAM-CYBMUJFWSA-N 2 1 336.430 3.814 20 0 EHADMP CN(c1ccccc1)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000278220608 1029723225 /nfs/dbraw/zinc/72/32/25/1029723225.db2.gz JAFPDVZAMXSKNR-CTXDPNEZSA-N 2 1 336.483 3.564 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000278220608 1029723234 /nfs/dbraw/zinc/72/32/34/1029723234.db2.gz JAFPDVZAMXSKNR-CTXDPNEZSA-N 2 1 336.483 3.564 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000278220608 1029723239 /nfs/dbraw/zinc/72/32/39/1029723239.db2.gz JAFPDVZAMXSKNR-CTXDPNEZSA-N 2 1 336.483 3.564 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH2+]C)cc1 ZINC000428587714 1029732360 /nfs/dbraw/zinc/73/23/60/1029732360.db2.gz YDHSNHPZNVRNHE-UHFFFAOYSA-N 2 1 339.483 3.890 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703042 1029763472 /nfs/dbraw/zinc/76/34/72/1029763472.db2.gz XFBLBIJFAWAUKB-CEMLEFRQSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703042 1029763480 /nfs/dbraw/zinc/76/34/80/1029763480.db2.gz XFBLBIJFAWAUKB-CEMLEFRQSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703042 1029763486 /nfs/dbraw/zinc/76/34/86/1029763486.db2.gz XFBLBIJFAWAUKB-CEMLEFRQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708524 1029771414 /nfs/dbraw/zinc/77/14/14/1029771414.db2.gz BXLGJSIBBRXURV-NYVOZVTQSA-N 2 1 344.543 3.818 20 0 EHADMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1O ZINC000080338276 1029815279 /nfs/dbraw/zinc/81/52/79/1029815279.db2.gz JYOMZCBMILJEMF-VQIMIIECSA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1O ZINC000080338276 1029815293 /nfs/dbraw/zinc/81/52/93/1029815293.db2.gz JYOMZCBMILJEMF-VQIMIIECSA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1O ZINC000080338276 1029815300 /nfs/dbraw/zinc/81/53/00/1029815300.db2.gz JYOMZCBMILJEMF-VQIMIIECSA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000080338667 1029815418 /nfs/dbraw/zinc/81/54/18/1029815418.db2.gz NQCGNVNOFSEDTP-VQIMIIECSA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000080338667 1029815430 /nfs/dbraw/zinc/81/54/30/1029815430.db2.gz NQCGNVNOFSEDTP-VQIMIIECSA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000080338667 1029815436 /nfs/dbraw/zinc/81/54/36/1029815436.db2.gz NQCGNVNOFSEDTP-VQIMIIECSA-N 2 1 342.458 3.977 20 0 EHADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453212346 1029917045 /nfs/dbraw/zinc/91/70/45/1029917045.db2.gz OQSXKWCUWJLRGJ-VOFPXKNKSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453212345 1029917468 /nfs/dbraw/zinc/91/74/68/1029917468.db2.gz OQSXKWCUWJLRGJ-MSEOUXRUSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1ccc2c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)ccc(O)c2n1 ZINC000429701425 1029953650 /nfs/dbraw/zinc/95/36/50/1029953650.db2.gz VQVWPNZLIUAUDY-QGZVFWFLSA-N 2 1 327.472 3.555 20 0 EHADMP Cc1ccc2c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)ccc(O)c2n1 ZINC000429701425 1029953692 /nfs/dbraw/zinc/95/36/92/1029953692.db2.gz VQVWPNZLIUAUDY-QGZVFWFLSA-N 2 1 327.472 3.555 20 0 EHADMP Cc1ccc2c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)ccc(O)c2n1 ZINC000429701425 1029953707 /nfs/dbraw/zinc/95/37/07/1029953707.db2.gz VQVWPNZLIUAUDY-QGZVFWFLSA-N 2 1 327.472 3.555 20 0 EHADMP c1ccc([C@@H]2CCN2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000509643800 1029960959 /nfs/dbraw/zinc/96/09/59/1029960959.db2.gz PCSDGLCMCDEDAH-QFIPXVFZSA-N 2 1 335.495 3.646 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)[C@H]3CCC[C@H]32)cc1 ZINC000453236719 1029960861 /nfs/dbraw/zinc/96/08/61/1029960861.db2.gz YVWLEVZGAIYFRG-MCSHHISBSA-N 2 1 340.511 3.587 20 0 EHADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCC[NH+]1C ZINC000120323635 1029963580 /nfs/dbraw/zinc/96/35/80/1029963580.db2.gz UBRYOHSSTRMOSK-LJQANCHMSA-N 2 1 344.478 3.565 20 0 EHADMP C[NH+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCC[N@@H+]1C ZINC000120323635 1029963596 /nfs/dbraw/zinc/96/35/96/1029963596.db2.gz UBRYOHSSTRMOSK-LJQANCHMSA-N 2 1 344.478 3.565 20 0 EHADMP CC[C@H](C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000453267922 1030006145 /nfs/dbraw/zinc/00/61/45/1030006145.db2.gz NRHNDXGXEJKTMZ-OFOKGCAXSA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000650708249 1030006511 /nfs/dbraw/zinc/00/65/11/1030006511.db2.gz WFLPFTKKXMKFGS-XSDIEEQYSA-N 2 1 330.516 3.645 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481823823 1030016109 /nfs/dbraw/zinc/01/61/09/1030016109.db2.gz KWVNKSPGQKFKTO-KURKYZTESA-N 2 1 347.503 3.556 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481823823 1030016122 /nfs/dbraw/zinc/01/61/22/1030016122.db2.gz KWVNKSPGQKFKTO-KURKYZTESA-N 2 1 347.503 3.556 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1Br ZINC000583527241 1030037226 /nfs/dbraw/zinc/03/72/26/1030037226.db2.gz SKHUMHHKYFZKGT-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1Br ZINC000583527241 1030037240 /nfs/dbraw/zinc/03/72/40/1030037240.db2.gz SKHUMHHKYFZKGT-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000583527241 1030037244 /nfs/dbraw/zinc/03/72/44/1030037244.db2.gz SKHUMHHKYFZKGT-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453275403 1030060383 /nfs/dbraw/zinc/06/03/83/1030060383.db2.gz LTKMFSJQQKAJES-QHAWAJNXSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000556050922 1030109828 /nfs/dbraw/zinc/10/98/28/1030109828.db2.gz QMQYBLWQBRGOKH-NJYVYQBISA-N 2 1 329.532 3.532 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000481950459 1030130567 /nfs/dbraw/zinc/13/05/67/1030130567.db2.gz BJRDKMWCGNVGBH-SJORKVTESA-N 2 1 328.504 3.788 20 0 EHADMP CCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000453361482 1030139112 /nfs/dbraw/zinc/13/91/12/1030139112.db2.gz KCRLFIKNLBQPIA-QHAWAJNXSA-N 2 1 342.527 3.693 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000657771652 1030141207 /nfs/dbraw/zinc/14/12/07/1030141207.db2.gz DWPOKAJWIAWJOY-QHAWAJNXSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771346 1030149766 /nfs/dbraw/zinc/14/97/66/1030149766.db2.gz HBFNIPLUFDEQOJ-IBGZPJMESA-N 2 1 339.483 3.683 20 0 EHADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771346 1030149778 /nfs/dbraw/zinc/14/97/78/1030149778.db2.gz HBFNIPLUFDEQOJ-IBGZPJMESA-N 2 1 339.483 3.683 20 0 EHADMP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453357704 1030151691 /nfs/dbraw/zinc/15/16/91/1030151691.db2.gz LJIZIMZEWHFZCY-FXAWDEMLSA-N 2 1 348.556 3.907 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2sc(Br)cc21)C1CC1 ZINC000453387823 1030167757 /nfs/dbraw/zinc/16/77/57/1030167757.db2.gz BGTZXQILMWEUPU-ZDUSSCGKSA-N 2 1 343.334 3.962 20 0 EHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453387026 1030169220 /nfs/dbraw/zinc/16/92/20/1030169220.db2.gz AQWMDGGTVJKJEH-WOJBJXKFSA-N 2 1 344.499 3.632 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278328428 1030182608 /nfs/dbraw/zinc/18/26/08/1030182608.db2.gz FRPDACJFDRAGGQ-KXBFYZLASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278328428 1030182622 /nfs/dbraw/zinc/18/26/22/1030182622.db2.gz FRPDACJFDRAGGQ-KXBFYZLASA-N 2 1 327.447 3.672 20 0 EHADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771997 1030190717 /nfs/dbraw/zinc/19/07/17/1030190717.db2.gz IMJXLETVFZIWGO-GOSISDBHSA-N 2 1 341.524 3.843 20 0 EHADMP [NH3+]CCCC[NH+]1CCN(C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168341502 1030191113 /nfs/dbraw/zinc/19/11/13/1030191113.db2.gz MHVINAOLTPWSRW-UHFFFAOYSA-N 2 1 349.950 3.723 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000650723332 1030208638 /nfs/dbraw/zinc/20/86/38/1030208638.db2.gz LTPFDTSKAVBTNM-LMNJBCLMSA-N 2 1 340.467 3.807 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723423 1030209638 /nfs/dbraw/zinc/20/96/38/1030209638.db2.gz NOAXLUJTHCYLPJ-JHJVBQTASA-N 2 1 349.327 3.916 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723423 1030209656 /nfs/dbraw/zinc/20/96/56/1030209656.db2.gz NOAXLUJTHCYLPJ-JHJVBQTASA-N 2 1 349.327 3.916 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C ZINC000482136352 1030222183 /nfs/dbraw/zinc/22/21/83/1030222183.db2.gz PERBWPDOLBVVTE-WSTZPKSXSA-N 2 1 345.531 3.812 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000128621422 1030225159 /nfs/dbraw/zinc/22/51/59/1030225159.db2.gz GHVNEPZQEGTSBJ-CQSZACIVSA-N 2 1 344.330 3.672 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453393181 1030242772 /nfs/dbraw/zinc/24/27/72/1030242772.db2.gz FNVJTKXBLNOMJD-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](CCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000453393181 1030242788 /nfs/dbraw/zinc/24/27/88/1030242788.db2.gz FNVJTKXBLNOMJD-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](CCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000453393181 1030242800 /nfs/dbraw/zinc/24/28/00/1030242800.db2.gz FNVJTKXBLNOMJD-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000453396979 1030250779 /nfs/dbraw/zinc/25/07/79/1030250779.db2.gz JCEDGAUWNTWSEZ-HXUWFJFHSA-N 2 1 327.447 3.774 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447544383 1030278909 /nfs/dbraw/zinc/27/89/09/1030278909.db2.gz URFHYOKVODECRX-VXKWHMMOSA-N 2 1 343.559 3.878 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)[C@@H](C)C1 ZINC000532196050 1030471310 /nfs/dbraw/zinc/47/13/10/1030471310.db2.gz MBIALSHEOMYBCW-UWJYYQICSA-N 2 1 342.483 3.816 20 0 EHADMP C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000482625951 1030599746 /nfs/dbraw/zinc/59/97/46/1030599746.db2.gz DHKNPLKZKQJDQE-FHWLQOOXSA-N 2 1 347.547 3.541 20 0 EHADMP CCC[N@H+](Cc1occc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417578 1030609396 /nfs/dbraw/zinc/60/93/96/1030609396.db2.gz KBNQDHVSFDVBGD-UHFFFAOYSA-N 2 1 342.487 3.876 20 0 EHADMP CCC[N@@H+](Cc1occc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417578 1030609408 /nfs/dbraw/zinc/60/94/08/1030609408.db2.gz KBNQDHVSFDVBGD-UHFFFAOYSA-N 2 1 342.487 3.876 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000648423740 1030618071 /nfs/dbraw/zinc/61/80/71/1030618071.db2.gz YDRXQVLGNHHMGS-IOMROCGXSA-N 2 1 330.516 3.966 20 0 EHADMP CSCC[C@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093558811 1030629051 /nfs/dbraw/zinc/62/90/51/1030629051.db2.gz RNJFHTDMXAJUEH-KRWDZBQOSA-N 2 1 349.588 3.790 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000157593563 1030652701 /nfs/dbraw/zinc/65/27/01/1030652701.db2.gz UZAVVFCLWBOAGX-RBUKOAKNSA-N 2 1 340.515 3.826 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000527227372 1030743035 /nfs/dbraw/zinc/74/30/35/1030743035.db2.gz SHJJYZRLEJQEIQ-MRXNPFEDSA-N 2 1 328.422 3.960 20 0 EHADMP C[N@H+]1CC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550997491 1030873846 /nfs/dbraw/zinc/87/38/46/1030873846.db2.gz YZQMXGJQEQFCIH-PKOBYXMFSA-N 2 1 329.532 3.721 20 0 EHADMP CN1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550997491 1030873867 /nfs/dbraw/zinc/87/38/67/1030873867.db2.gz YZQMXGJQEQFCIH-PKOBYXMFSA-N 2 1 329.532 3.721 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000551000693 1030888923 /nfs/dbraw/zinc/88/89/23/1030888923.db2.gz QRHVPTIOWVVWQE-JTHBVZDNSA-N 2 1 349.522 3.864 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000551000693 1030888947 /nfs/dbraw/zinc/88/89/47/1030888947.db2.gz QRHVPTIOWVVWQE-JTHBVZDNSA-N 2 1 349.522 3.864 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CCS2 ZINC000343472746 1031021844 /nfs/dbraw/zinc/02/18/44/1031021844.db2.gz WGIRNVLRTYTZSI-KRWDZBQOSA-N 2 1 334.529 3.944 20 0 EHADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCCCC1 ZINC000551169125 1031074455 /nfs/dbraw/zinc/07/44/55/1031074455.db2.gz APWLODRTBCEBOH-NRSPTQNISA-N 2 1 329.532 3.676 20 0 EHADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(C(F)(F)F)c1 ZINC000527651522 1031080668 /nfs/dbraw/zinc/08/06/68/1031080668.db2.gz DHCRRGFSLXPWRB-GFCCVEGCSA-N 2 1 341.377 3.645 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CCOCC1 ZINC000527659753 1031086444 /nfs/dbraw/zinc/08/64/44/1031086444.db2.gz MGDNUKRESRDGTF-WOJBJXKFSA-N 2 1 330.516 3.803 20 0 EHADMP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000173953202 1031138456 /nfs/dbraw/zinc/13/84/56/1031138456.db2.gz IUMJJOISHDSGSP-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cn3ccccc3n2)cc1F ZINC000551271421 1031183382 /nfs/dbraw/zinc/18/33/82/1031183382.db2.gz XTZBIWQLWUGLQR-CQSZACIVSA-N 2 1 349.413 3.818 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483484067 1031191314 /nfs/dbraw/zinc/19/13/14/1031191314.db2.gz WQSSCIFDYASQDO-KMFMINBZSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483484067 1031191322 /nfs/dbraw/zinc/19/13/22/1031191322.db2.gz WQSSCIFDYASQDO-KMFMINBZSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483484067 1031191333 /nfs/dbraw/zinc/19/13/33/1031191333.db2.gz WQSSCIFDYASQDO-KMFMINBZSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483484067 1031191338 /nfs/dbraw/zinc/19/13/38/1031191338.db2.gz WQSSCIFDYASQDO-KMFMINBZSA-N 2 1 337.305 3.926 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000314971779 1031236255 /nfs/dbraw/zinc/23/62/55/1031236255.db2.gz WGZVECAYEHXYGE-GFCCVEGCSA-N 2 1 332.822 3.761 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000314971779 1031236271 /nfs/dbraw/zinc/23/62/71/1031236271.db2.gz WGZVECAYEHXYGE-GFCCVEGCSA-N 2 1 332.822 3.761 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000278529506 1031249686 /nfs/dbraw/zinc/24/96/86/1031249686.db2.gz RNBDRTAHZIOHQZ-INIZCTEOSA-N 2 1 330.497 3.754 20 0 EHADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527801570 1031276048 /nfs/dbraw/zinc/27/60/48/1031276048.db2.gz KJTDVQPOPVOZDB-ZCNNSNEGSA-N 2 1 328.500 3.729 20 0 EHADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000527801570 1031276050 /nfs/dbraw/zinc/27/60/50/1031276050.db2.gz KJTDVQPOPVOZDB-ZCNNSNEGSA-N 2 1 328.500 3.729 20 0 EHADMP COc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OC(C)C ZINC000527805314 1031277555 /nfs/dbraw/zinc/27/75/55/1031277555.db2.gz GXLQVODSTKIXFM-SFHVURJKSA-N 2 1 332.488 3.589 20 0 EHADMP COc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)ccc1OC(C)C ZINC000527805314 1031277561 /nfs/dbraw/zinc/27/75/61/1031277561.db2.gz GXLQVODSTKIXFM-SFHVURJKSA-N 2 1 332.488 3.589 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000583973425 1031278605 /nfs/dbraw/zinc/27/86/05/1031278605.db2.gz CBKSXWUHBZPLEE-HOCLYGCPSA-N 2 1 337.389 3.907 20 0 EHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100058 1031328203 /nfs/dbraw/zinc/32/82/03/1031328203.db2.gz FPJSMAIGZRVKGN-CZUORRHYSA-N 2 1 342.405 3.523 20 0 EHADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854359 1031379012 /nfs/dbraw/zinc/37/90/12/1031379012.db2.gz CCDQPEAYFLHBAP-UNMCSNQZSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854359 1031379023 /nfs/dbraw/zinc/37/90/23/1031379023.db2.gz CCDQPEAYFLHBAP-UNMCSNQZSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854359 1031379037 /nfs/dbraw/zinc/37/90/37/1031379037.db2.gz CCDQPEAYFLHBAP-UNMCSNQZSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000483854359 1031379050 /nfs/dbraw/zinc/37/90/50/1031379050.db2.gz CCDQPEAYFLHBAP-UNMCSNQZSA-N 2 1 345.575 3.996 20 0 EHADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668280999 1031379516 /nfs/dbraw/zinc/37/95/16/1031379516.db2.gz KAJXJJCOLXFANS-FQEVSTJZSA-N 2 1 336.414 3.570 20 0 EHADMP Clc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC000666993775 1031403279 /nfs/dbraw/zinc/40/32/79/1031403279.db2.gz INZHQNNOQWBUCD-LBPRGKRZSA-N 2 1 343.696 3.867 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCCOC2)C3)cc1 ZINC000527927419 1031421412 /nfs/dbraw/zinc/42/14/12/1031421412.db2.gz MIQMRXFUUGNRBA-NCYKPQTJSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000484163687 1031481444 /nfs/dbraw/zinc/48/14/44/1031481444.db2.gz LWKOFXJKGDWUCW-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000484163687 1031481453 /nfs/dbraw/zinc/48/14/53/1031481453.db2.gz LWKOFXJKGDWUCW-SIKLNZKXSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000527932506 1031496340 /nfs/dbraw/zinc/49/63/40/1031496340.db2.gz MVNJHFKFANTBLW-QODHUSCHSA-N 2 1 337.305 3.782 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000528012867 1031595198 /nfs/dbraw/zinc/59/51/98/1031595198.db2.gz QOJSTSWEHLKSPI-IIBYNOLFSA-N 2 1 338.499 3.848 20 0 EHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178035032 1031609135 /nfs/dbraw/zinc/60/91/35/1031609135.db2.gz FVTXVNZYOXRCJF-WSTZPKSXSA-N 2 1 346.515 3.688 20 0 EHADMP Cc1nn(C)c(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158887679 1031710639 /nfs/dbraw/zinc/71/06/39/1031710639.db2.gz ZAXFFWXWKNPVMX-MRXNPFEDSA-N 2 1 332.536 3.513 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109882 1031741583 /nfs/dbraw/zinc/74/15/83/1031741583.db2.gz ITSLSQZFJHUPOB-UXHICEINSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109882 1031741595 /nfs/dbraw/zinc/74/15/95/1031741595.db2.gz ITSLSQZFJHUPOB-UXHICEINSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109882 1031741608 /nfs/dbraw/zinc/74/16/08/1031741608.db2.gz ITSLSQZFJHUPOB-UXHICEINSA-N 2 1 329.532 3.827 20 0 EHADMP Cc1cnc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000584109882 1031741621 /nfs/dbraw/zinc/74/16/21/1031741621.db2.gz ITSLSQZFJHUPOB-UXHICEINSA-N 2 1 329.532 3.827 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000159015703 1031806652 /nfs/dbraw/zinc/80/66/52/1031806652.db2.gz QMKPHCLJRHWPHV-KSZLIROESA-N 2 1 340.515 3.749 20 0 EHADMP CC(C)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000537709657 1031844501 /nfs/dbraw/zinc/84/45/01/1031844501.db2.gz IODISEOPPCHVLK-SFHVURJKSA-N 2 1 329.532 3.695 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000657836021 1031987438 /nfs/dbraw/zinc/98/74/38/1031987438.db2.gz JTGLSIIDJZFVLF-PXNSSMCTSA-N 2 1 328.500 3.862 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939089 1032024326 /nfs/dbraw/zinc/02/43/26/1032024326.db2.gz CABQGQBYXBVNGW-CZAYHTPWSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939089 1032024341 /nfs/dbraw/zinc/02/43/41/1032024341.db2.gz CABQGQBYXBVNGW-CZAYHTPWSA-N 3 1 343.559 3.607 20 0 EHADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939089 1032024358 /nfs/dbraw/zinc/02/43/58/1032024358.db2.gz CABQGQBYXBVNGW-CZAYHTPWSA-N 3 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939089 1032024374 /nfs/dbraw/zinc/02/43/74/1032024374.db2.gz CABQGQBYXBVNGW-CZAYHTPWSA-N 2 1 343.559 3.607 20 0 EHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000537939089 1032024391 /nfs/dbraw/zinc/02/43/91/1032024391.db2.gz CABQGQBYXBVNGW-CZAYHTPWSA-N 2 1 343.559 3.607 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000537951137 1032038800 /nfs/dbraw/zinc/03/88/00/1032038800.db2.gz ZRQGVLMIQNHRAW-TZIWHRDSSA-N 2 1 344.543 3.736 20 0 EHADMP FC(F)(F)c1cccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000628182209 1032054751 /nfs/dbraw/zinc/05/47/51/1032054751.db2.gz IYSXWZHOKQQUEI-MRXNPFEDSA-N 2 1 326.406 3.666 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000565227102 1033334664 /nfs/dbraw/zinc/33/46/64/1033334664.db2.gz RHFGNGUCEYKXFY-DLBZAZTESA-N 2 1 331.257 3.992 20 0 EHADMP CC(C)[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457336 1033349235 /nfs/dbraw/zinc/34/92/35/1033349235.db2.gz ARHGBGOHLKKMJU-YADHBBJMSA-N 2 1 343.559 3.527 20 0 EHADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000594494856 1033397652 /nfs/dbraw/zinc/39/76/52/1033397652.db2.gz JJBQJERMUORVDU-JXFKEZNVSA-N 2 1 344.499 3.561 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000594515507 1033422977 /nfs/dbraw/zinc/42/29/77/1033422977.db2.gz SWOFUSDXKGNMFE-GJZGRUSLSA-N 2 1 343.471 3.809 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3cnc4ccccc4c3)C2)cc1 ZINC000728594622 1033425729 /nfs/dbraw/zinc/42/57/29/1033425729.db2.gz SCCXLUZHPOBCHN-HXUWFJFHSA-N 2 1 345.490 3.889 20 0 EHADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647346 1033670035 /nfs/dbraw/zinc/67/00/35/1033670035.db2.gz WQOQATLRHNVFSH-KNQAVFIVSA-N 2 1 338.495 3.910 20 0 EHADMP CC(C[NH+]1CCS[C@H](C(C)C)C1)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000608577870 1033774387 /nfs/dbraw/zinc/77/43/87/1033774387.db2.gz YTVHXIIDQVKUJB-ROUUACIJSA-N 2 1 344.634 3.769 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108428529 1033813561 /nfs/dbraw/zinc/81/35/61/1033813561.db2.gz ITWMMXYODNKGFW-INIZCTEOSA-N 2 1 346.906 3.574 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428529 1033813578 /nfs/dbraw/zinc/81/35/78/1033813578.db2.gz ITWMMXYODNKGFW-INIZCTEOSA-N 2 1 346.906 3.574 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017765 1033844399 /nfs/dbraw/zinc/84/43/99/1033844399.db2.gz BBHGXCPZBGMUGB-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658091026 1033917179 /nfs/dbraw/zinc/91/71/79/1033917179.db2.gz KFKOTIAZLLRQCK-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658091026 1033917186 /nfs/dbraw/zinc/91/71/86/1033917186.db2.gz KFKOTIAZLLRQCK-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658091026 1033917190 /nfs/dbraw/zinc/91/71/90/1033917190.db2.gz KFKOTIAZLLRQCK-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658123944 1033982673 /nfs/dbraw/zinc/98/26/73/1033982673.db2.gz OCXHREUWUOIGKT-XPWALMASSA-N 2 1 349.522 3.823 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C)cc1 ZINC000658139147 1034004564 /nfs/dbraw/zinc/00/45/64/1034004564.db2.gz LGQGTUNLBKIGNA-VXKWHMMOSA-N 2 1 338.495 3.803 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450269560 1034017039 /nfs/dbraw/zinc/01/70/39/1034017039.db2.gz MYKDRXBXOZEWDU-NQIIRXRSSA-N 2 1 332.532 3.595 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000548861080 1034041183 /nfs/dbraw/zinc/04/11/83/1034041183.db2.gz BTZLLXYFKIUICD-PXNSSMCTSA-N 2 1 328.500 3.761 20 0 EHADMP CC(C)(C)OCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658187196 1034052437 /nfs/dbraw/zinc/05/24/37/1034052437.db2.gz KLMNDJJCCDWERY-ACDBMABISA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C)OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658333771 1034204056 /nfs/dbraw/zinc/20/40/56/1034204056.db2.gz ZDDPINWDBAWRGH-HAGHYFMRSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329368 1034403590 /nfs/dbraw/zinc/40/35/90/1034403590.db2.gz NOXXCYSXEINTKG-ZIAGYGMSSA-N 2 1 340.870 3.631 20 0 EHADMP Cc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1-c1ccccc1 ZINC000534346955 1034417316 /nfs/dbraw/zinc/41/73/16/1034417316.db2.gz DKRLXBVZHPFIKK-UHFFFAOYSA-N 2 1 340.515 3.733 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)sc1C ZINC000340268004 1034473509 /nfs/dbraw/zinc/47/35/09/1034473509.db2.gz PLOWWRFKCTWROQ-ZWKOTPCHSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)sc1C ZINC000340268004 1034473519 /nfs/dbraw/zinc/47/35/19/1034473519.db2.gz PLOWWRFKCTWROQ-ZWKOTPCHSA-N 2 1 329.513 3.728 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000340254848 1034481913 /nfs/dbraw/zinc/48/19/13/1034481913.db2.gz DCHOACFEUPEOOS-FUMNGEBKSA-N 2 1 328.500 3.759 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C12CCC2 ZINC000340254848 1034481916 /nfs/dbraw/zinc/48/19/16/1034481916.db2.gz DCHOACFEUPEOOS-FUMNGEBKSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340380348 1034496893 /nfs/dbraw/zinc/49/68/93/1034496893.db2.gz MCXDXQSYFFXGQS-ZCNNSNEGSA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C[C@@H]1c1ccccc1 ZINC000340380348 1034496897 /nfs/dbraw/zinc/49/68/97/1034496897.db2.gz MCXDXQSYFFXGQS-ZCNNSNEGSA-N 2 1 328.500 3.761 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594619 1034565925 /nfs/dbraw/zinc/56/59/25/1034565925.db2.gz CWGKVNYKIORENT-XLIONFOSSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594619 1034565941 /nfs/dbraw/zinc/56/59/41/1034565941.db2.gz CWGKVNYKIORENT-XLIONFOSSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594619 1034565956 /nfs/dbraw/zinc/56/59/56/1034565956.db2.gz CWGKVNYKIORENT-XLIONFOSSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594619 1034565963 /nfs/dbraw/zinc/56/59/63/1034565963.db2.gz CWGKVNYKIORENT-XLIONFOSSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594619 1034565977 /nfs/dbraw/zinc/56/59/77/1034565977.db2.gz CWGKVNYKIORENT-XLIONFOSSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594619 1034565991 /nfs/dbraw/zinc/56/59/91/1034565991.db2.gz CWGKVNYKIORENT-XLIONFOSSA-N 2 1 344.474 3.737 20 0 EHADMP C[NH+](C)C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000605026327 1034598138 /nfs/dbraw/zinc/59/81/38/1034598138.db2.gz ONPWWKLHTFRCHL-HWKANZROSA-N 2 1 337.305 3.878 20 0 EHADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498182 1035353609 /nfs/dbraw/zinc/35/36/09/1035353609.db2.gz CEBTVHNUMSTRST-ZWKOTPCHSA-N 2 1 334.504 3.679 20 0 EHADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647498182 1035353617 /nfs/dbraw/zinc/35/36/17/1035353617.db2.gz CEBTVHNUMSTRST-ZWKOTPCHSA-N 2 1 334.504 3.679 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCOc2ccc3ccccc3c2)C1 ZINC000472494192 1035375279 /nfs/dbraw/zinc/37/52/79/1035375279.db2.gz DXSCDBGRLAYVGK-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000472494192 1035375284 /nfs/dbraw/zinc/37/52/84/1035375284.db2.gz DXSCDBGRLAYVGK-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000472494192 1035375290 /nfs/dbraw/zinc/37/52/90/1035375290.db2.gz DXSCDBGRLAYVGK-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000472494192 1035375295 /nfs/dbraw/zinc/37/52/95/1035375295.db2.gz DXSCDBGRLAYVGK-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000472494192 1035375300 /nfs/dbraw/zinc/37/53/00/1035375300.db2.gz DXSCDBGRLAYVGK-IBGZPJMESA-N 2 1 338.495 3.882 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000414057186 1035417103 /nfs/dbraw/zinc/41/71/03/1035417103.db2.gz FNULBGZJEFJOIK-KRWDZBQOSA-N 2 1 341.499 3.651 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccn(C)n1 ZINC000414061766 1035426751 /nfs/dbraw/zinc/42/67/51/1035426751.db2.gz AZZUMBJNFOMSQD-KRWDZBQOSA-N 2 1 326.488 3.647 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000310279899 1035473328 /nfs/dbraw/zinc/47/33/28/1035473328.db2.gz KRCTVWUGAHREPV-OALUTQOASA-N 2 1 330.516 3.834 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136045 1035702632 /nfs/dbraw/zinc/70/26/32/1035702632.db2.gz HPHPKARTABPLTP-PKOBYXMFSA-N 2 1 349.950 3.592 20 0 EHADMP C[N@H+](Cc1ccc(Br)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168381719 1035706257 /nfs/dbraw/zinc/70/62/57/1035706257.db2.gz ZOJXBBZKKVTBNV-UHFFFAOYSA-N 2 1 337.305 3.755 20 0 EHADMP C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168381719 1035706277 /nfs/dbraw/zinc/70/62/77/1035706277.db2.gz ZOJXBBZKKVTBNV-UHFFFAOYSA-N 2 1 337.305 3.755 20 0 EHADMP C[NH+](C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000571912197 1035783416 /nfs/dbraw/zinc/78/34/16/1035783416.db2.gz GVPLQKAMIRUCBL-QGZVFWFLSA-N 2 1 349.485 3.503 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169872 1035870310 /nfs/dbraw/zinc/87/03/10/1035870310.db2.gz BQRISIYQFUHEOA-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000414176744 1035908297 /nfs/dbraw/zinc/90/82/97/1035908297.db2.gz ICDCBOMESACSFO-HLAWJBBLSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000414176744 1035908308 /nfs/dbraw/zinc/90/83/08/1035908308.db2.gz ICDCBOMESACSFO-HLAWJBBLSA-N 2 1 339.483 3.763 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000414188494 1035956871 /nfs/dbraw/zinc/95/68/71/1035956871.db2.gz QHWVUHGYPLQKQD-YJBOKZPZSA-N 2 1 334.529 3.944 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000572157461 1035994727 /nfs/dbraw/zinc/99/47/27/1035994727.db2.gz WTOPCWHEGLGOFX-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000572157461 1035994738 /nfs/dbraw/zinc/99/47/38/1035994738.db2.gz WTOPCWHEGLGOFX-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414203099 1036040680 /nfs/dbraw/zinc/04/06/80/1036040680.db2.gz ZDKQHSYFOSSUOM-YUMYIRISSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414203099 1036040704 /nfs/dbraw/zinc/04/07/04/1036040704.db2.gz ZDKQHSYFOSSUOM-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414203099 1036040722 /nfs/dbraw/zinc/04/07/22/1036040722.db2.gz ZDKQHSYFOSSUOM-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203099 1036040744 /nfs/dbraw/zinc/04/07/44/1036040744.db2.gz ZDKQHSYFOSSUOM-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203099 1036040766 /nfs/dbraw/zinc/04/07/66/1036040766.db2.gz ZDKQHSYFOSSUOM-YUMYIRISSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000464094946 1036107752 /nfs/dbraw/zinc/10/77/52/1036107752.db2.gz INHZUKXLFWVCBS-VQTJNVASSA-N 2 1 342.527 3.803 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nc1 ZINC000892573736 1036210999 /nfs/dbraw/zinc/21/09/99/1036210999.db2.gz DZZYWIIVZROXBP-KRWDZBQOSA-N 2 1 339.483 3.612 20 0 EHADMP COc1cc(C)nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000535287507 1036288147 /nfs/dbraw/zinc/28/81/47/1036288147.db2.gz GMNLJGXQPWMUKO-SFHVURJKSA-N 2 1 345.531 3.875 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165320846 1036384577 /nfs/dbraw/zinc/38/45/77/1036384577.db2.gz JMAHAJRZJOLWAX-WMZOPIPTSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165320846 1036384595 /nfs/dbraw/zinc/38/45/95/1036384595.db2.gz JMAHAJRZJOLWAX-WMZOPIPTSA-N 2 1 343.902 3.950 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000308424070 1036451124 /nfs/dbraw/zinc/45/11/24/1036451124.db2.gz QBMATNSGOKWQCH-FRYIKTPZSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C12CCC2 ZINC000308424070 1036451139 /nfs/dbraw/zinc/45/11/39/1036451139.db2.gz QBMATNSGOKWQCH-FRYIKTPZSA-N 2 1 328.500 3.587 20 0 EHADMP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192929186 1036565405 /nfs/dbraw/zinc/56/54/05/1036565405.db2.gz FBFUAXZGIMIWFL-SFHVURJKSA-N 2 1 349.453 3.986 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000464776264 1036768000 /nfs/dbraw/zinc/76/80/00/1036768000.db2.gz LGAQMFLMUGQSGU-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000464776264 1036768007 /nfs/dbraw/zinc/76/80/07/1036768007.db2.gz LGAQMFLMUGQSGU-HNNXBMFYSA-N 2 1 344.421 3.748 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000464772705 1036795566 /nfs/dbraw/zinc/79/55/66/1036795566.db2.gz GAGGCOZTQNFHBJ-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000464772705 1036795586 /nfs/dbraw/zinc/79/55/86/1036795586.db2.gz GAGGCOZTQNFHBJ-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000414345318 1036825170 /nfs/dbraw/zinc/82/51/70/1036825170.db2.gz SKSZADVFFGYKMI-QEMIJWRASA-N 2 1 330.516 3.570 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000511508756 1037138189 /nfs/dbraw/zinc/13/81/89/1037138189.db2.gz PGCKGBBDXMIRFS-UHFFFAOYSA-N 2 1 343.284 3.752 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277885 1037235981 /nfs/dbraw/zinc/23/59/81/1037235981.db2.gz CVCGXJRAXGRCGP-QZTJIDSGSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277885 1037235993 /nfs/dbraw/zinc/23/59/93/1037235993.db2.gz CVCGXJRAXGRCGP-QZTJIDSGSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277885 1037236008 /nfs/dbraw/zinc/23/60/08/1037236008.db2.gz CVCGXJRAXGRCGP-QZTJIDSGSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277885 1037236023 /nfs/dbraw/zinc/23/60/23/1037236023.db2.gz CVCGXJRAXGRCGP-QZTJIDSGSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)O ZINC000549085620 1037271142 /nfs/dbraw/zinc/27/11/42/1037271142.db2.gz CNENCJQOVBXUEN-UNEAZINESA-N 2 1 336.907 3.613 20 0 EHADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539846314 1037276048 /nfs/dbraw/zinc/27/60/48/1037276048.db2.gz YPUKGOWGHNCQOO-LSBZLQRGSA-N 2 1 330.520 3.867 20 0 EHADMP CC(C)[N@H+]1CC[C@H](CNCc2cc(Br)ccc2Cl)C1 ZINC000225267183 1037319965 /nfs/dbraw/zinc/31/99/65/1037319965.db2.gz FGRBOHSEOBMJIL-GFCCVEGCSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225267183 1037319980 /nfs/dbraw/zinc/31/99/80/1037319980.db2.gz FGRBOHSEOBMJIL-GFCCVEGCSA-N 2 1 345.712 3.922 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000225267183 1037319995 /nfs/dbraw/zinc/31/99/95/1037319995.db2.gz FGRBOHSEOBMJIL-GFCCVEGCSA-N 2 1 345.712 3.922 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454520 1037324755 /nfs/dbraw/zinc/32/47/55/1037324755.db2.gz PURUGHHXLNWXEN-LAUBAEHRSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454520 1037324778 /nfs/dbraw/zinc/32/47/78/1037324778.db2.gz PURUGHHXLNWXEN-LAUBAEHRSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454519 1037324873 /nfs/dbraw/zinc/32/48/73/1037324873.db2.gz PURUGHHXLNWXEN-DYESRHJHSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000532454519 1037324894 /nfs/dbraw/zinc/32/48/94/1037324894.db2.gz PURUGHHXLNWXEN-DYESRHJHSA-N 2 1 326.459 3.868 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC000491359129 1037419845 /nfs/dbraw/zinc/41/98/45/1037419845.db2.gz JJUQMGFDVCYKPN-XMSQKQJNSA-N 2 1 344.543 3.792 20 0 EHADMP CO[C@](C)(C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000462821460 1037443556 /nfs/dbraw/zinc/44/35/56/1037443556.db2.gz QTQKVKDFMUQCCP-XVAXZDLZSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000342773023 1037510212 /nfs/dbraw/zinc/51/02/12/1037510212.db2.gz GGJPRTGKWMDOIJ-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP Cc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000342773023 1037510222 /nfs/dbraw/zinc/51/02/22/1037510222.db2.gz GGJPRTGKWMDOIJ-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000532531320 1037554490 /nfs/dbraw/zinc/55/44/90/1037554490.db2.gz HPDMMUDYYWUEQF-WBMJQRKESA-N 2 1 328.378 3.504 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140994 1037594840 /nfs/dbraw/zinc/59/48/40/1037594840.db2.gz VBUIAJCUQGUKFJ-UWVAXJGDSA-N 2 1 340.515 3.680 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@@H](C)C1 ZINC000540171375 1037638742 /nfs/dbraw/zinc/63/87/42/1037638742.db2.gz VDWLJNXCORRXQY-PZJWPPBQSA-N 2 1 346.559 3.982 20 0 EHADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000493924042 1037725216 /nfs/dbraw/zinc/72/52/16/1037725216.db2.gz GICCDJRBXORTHA-AVRDEDQJSA-N 2 1 338.495 3.801 20 0 EHADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000493924042 1037725237 /nfs/dbraw/zinc/72/52/37/1037725237.db2.gz GICCDJRBXORTHA-AVRDEDQJSA-N 2 1 338.495 3.801 20 0 EHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463107439 1037761568 /nfs/dbraw/zinc/76/15/68/1037761568.db2.gz DIMDWAVQFDOMFG-NRFANRHFSA-N 2 1 329.532 3.900 20 0 EHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463107439 1037761589 /nfs/dbraw/zinc/76/15/89/1037761589.db2.gz DIMDWAVQFDOMFG-NRFANRHFSA-N 2 1 329.532 3.900 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463121211 1037789041 /nfs/dbraw/zinc/78/90/41/1037789041.db2.gz VHIXCVDTRJHTDD-ILWGZMRPSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463121211 1037789056 /nfs/dbraw/zinc/78/90/56/1037789056.db2.gz VHIXCVDTRJHTDD-ILWGZMRPSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463121211 1037789071 /nfs/dbraw/zinc/78/90/71/1037789071.db2.gz VHIXCVDTRJHTDD-ILWGZMRPSA-N 2 1 343.559 3.894 20 0 EHADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC1 ZINC000463131602 1037793571 /nfs/dbraw/zinc/79/35/71/1037793571.db2.gz KTMGIZDSKRZSPY-FCEUIQTBSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000463136877 1037802025 /nfs/dbraw/zinc/80/20/25/1037802025.db2.gz HTAQXIUKMMIWCO-HMXCVIKNSA-N 2 1 331.548 3.605 20 0 EHADMP CC[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000463140192 1037805220 /nfs/dbraw/zinc/80/52/20/1037805220.db2.gz VJKNJEFMOOQVFB-HXUWFJFHSA-N 2 1 349.950 3.768 20 0 EHADMP Cc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463146659 1037815184 /nfs/dbraw/zinc/81/51/84/1037815184.db2.gz OLDBFKSVPQXVLB-UHFFFAOYSA-N 2 1 326.459 3.931 20 0 EHADMP Clc1ccc(Cl)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000303952154 1037900515 /nfs/dbraw/zinc/90/05/15/1037900515.db2.gz WAMBFWMDJGIPHX-UHFFFAOYSA-N 2 1 343.298 3.538 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463240404 1037924745 /nfs/dbraw/zinc/92/47/45/1037924745.db2.gz PUVCYHJGWUBPRY-GHTZIAJQSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463240404 1037924758 /nfs/dbraw/zinc/92/47/58/1037924758.db2.gz PUVCYHJGWUBPRY-GHTZIAJQSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463273845 1037980872 /nfs/dbraw/zinc/98/08/72/1037980872.db2.gz BHJUSHAMGHJJHZ-KAGYGMCKSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000463273845 1037980892 /nfs/dbraw/zinc/98/08/92/1037980892.db2.gz BHJUSHAMGHJJHZ-KAGYGMCKSA-N 2 1 344.543 3.960 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000584557345 1038008434 /nfs/dbraw/zinc/00/84/34/1038008434.db2.gz UCEPEAMTAOEDIW-JXFKEZNVSA-N 2 1 344.499 3.606 20 0 EHADMP CCCn1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000124059224 1038130324 /nfs/dbraw/zinc/13/03/24/1038130324.db2.gz HRJHGBFCPGZIHT-NQIIRXRSSA-N 2 1 340.515 3.778 20 0 EHADMP c1ccc2oc([C@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)nc2c1 ZINC000124902911 1038252102 /nfs/dbraw/zinc/25/21/02/1038252102.db2.gz QPPOQFUDYVEUQX-KRWDZBQOSA-N 2 1 327.472 3.883 20 0 EHADMP c1ccc2oc([C@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)nc2c1 ZINC000124902911 1038252117 /nfs/dbraw/zinc/25/21/17/1038252117.db2.gz QPPOQFUDYVEUQX-KRWDZBQOSA-N 2 1 327.472 3.883 20 0 EHADMP C[N@H+]1CCC[C@H]1CCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106890 1038281568 /nfs/dbraw/zinc/28/15/68/1038281568.db2.gz DIJRABKGXRBPJH-NRFANRHFSA-N 2 1 341.474 3.750 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106890 1038281582 /nfs/dbraw/zinc/28/15/82/1038281582.db2.gz DIJRABKGXRBPJH-NRFANRHFSA-N 2 1 341.474 3.750 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106890 1038281597 /nfs/dbraw/zinc/28/15/97/1038281597.db2.gz DIJRABKGXRBPJH-NRFANRHFSA-N 2 1 341.474 3.750 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106890 1038281614 /nfs/dbraw/zinc/28/16/14/1038281614.db2.gz DIJRABKGXRBPJH-NRFANRHFSA-N 2 1 341.474 3.750 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000125106890 1038281626 /nfs/dbraw/zinc/28/16/26/1038281626.db2.gz DIJRABKGXRBPJH-NRFANRHFSA-N 2 1 341.474 3.750 20 0 EHADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163937411 1038415731 /nfs/dbraw/zinc/41/57/31/1038415731.db2.gz MONXNUCQLGUMIU-MSOLQXFVSA-N 2 1 348.531 3.700 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704954 1038481528 /nfs/dbraw/zinc/48/15/28/1038481528.db2.gz VDGSKUGCECPOPX-QFBILLFUSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538704954 1038481532 /nfs/dbraw/zinc/48/15/32/1038481532.db2.gz VDGSKUGCECPOPX-QFBILLFUSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704954 1038481540 /nfs/dbraw/zinc/48/15/40/1038481540.db2.gz VDGSKUGCECPOPX-QFBILLFUSA-N 2 1 334.467 3.563 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000136391147 1038625118 /nfs/dbraw/zinc/62/51/18/1038625118.db2.gz ACOQPNLZMFTGSP-UHFFFAOYSA-N 2 1 345.531 3.747 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000136391147 1038625127 /nfs/dbraw/zinc/62/51/27/1038625127.db2.gz ACOQPNLZMFTGSP-UHFFFAOYSA-N 2 1 345.531 3.747 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000539075005 1038671454 /nfs/dbraw/zinc/67/14/54/1038671454.db2.gz NYJFYZCYFOVDPF-FXAWDEMLSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378547215 1038712633 /nfs/dbraw/zinc/71/26/33/1038712633.db2.gz GMTGWTFJZQCFKY-BWPNAZKDSA-N 2 1 342.483 3.592 20 0 EHADMP C[C@@H]([NH2+]CCCc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378561791 1038721290 /nfs/dbraw/zinc/72/12/90/1038721290.db2.gz PHNGQFPCEUFJFX-SJLPKXTDSA-N 2 1 329.513 3.576 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000539310337 1038766688 /nfs/dbraw/zinc/76/66/88/1038766688.db2.gz RVQXLESIQIQYSM-INIZCTEOSA-N 2 1 334.504 3.865 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000479851482 1038784783 /nfs/dbraw/zinc/78/47/83/1038784783.db2.gz LECDYPRPCJDALJ-FPOVZHCZSA-N 2 1 343.559 3.751 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000569971511 1038847487 /nfs/dbraw/zinc/84/74/87/1038847487.db2.gz DPDYJFUKFSJSCV-SFHVURJKSA-N 2 1 340.515 3.721 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000124391109 1038893735 /nfs/dbraw/zinc/89/37/35/1038893735.db2.gz WKHRIPSPUGACQI-CHWSQXEVSA-N 2 1 328.378 3.720 20 0 EHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935185 1039038377 /nfs/dbraw/zinc/03/83/77/1039038377.db2.gz WCBOSWCVOIEPNA-UYAOXDASSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935185 1039038390 /nfs/dbraw/zinc/03/83/90/1039038390.db2.gz WCBOSWCVOIEPNA-UYAOXDASSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000668489231 1039104545 /nfs/dbraw/zinc/10/45/45/1039104545.db2.gz LAYHLDFOSYUUED-AVRDEDQJSA-N 2 1 338.495 3.537 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000478026558 1039150090 /nfs/dbraw/zinc/15/00/90/1039150090.db2.gz JKCDCHRSWROLFI-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc3ccccc32)C1 ZINC000478026558 1039150096 /nfs/dbraw/zinc/15/00/96/1039150096.db2.gz JKCDCHRSWROLFI-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000478026558 1039150108 /nfs/dbraw/zinc/15/01/08/1039150108.db2.gz JKCDCHRSWROLFI-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000478026558 1039150117 /nfs/dbraw/zinc/15/01/17/1039150117.db2.gz JKCDCHRSWROLFI-SFHVURJKSA-N 2 1 326.484 3.882 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276936 1039150215 /nfs/dbraw/zinc/15/02/15/1039150215.db2.gz MFDCGCVQPPKQPI-HKUYNNGSSA-N 2 1 332.536 3.989 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276936 1039150223 /nfs/dbraw/zinc/15/02/23/1039150223.db2.gz MFDCGCVQPPKQPI-HKUYNNGSSA-N 2 1 332.536 3.989 20 0 EHADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159844 1039330507 /nfs/dbraw/zinc/33/05/07/1039330507.db2.gz UXSPXRONLAWMCO-PMACEKPBSA-N 2 1 336.483 3.943 20 0 EHADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000584714788 1039603511 /nfs/dbraw/zinc/60/35/11/1039603511.db2.gz HIOIKRGTGICUDK-ZIAGYGMSSA-N 2 1 327.453 3.773 20 0 EHADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000480694270 1039915383 /nfs/dbraw/zinc/91/53/83/1039915383.db2.gz GPAUOEOPWSNJSN-AOCRQIFASA-N 2 1 338.536 3.741 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000319064373 1040091070 /nfs/dbraw/zinc/09/10/70/1040091070.db2.gz PISMXNDOLFGVHU-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000319064373 1040091082 /nfs/dbraw/zinc/09/10/82/1040091082.db2.gz PISMXNDOLFGVHU-UYAOXDASSA-N 2 1 330.516 3.978 20 0 EHADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)CC2Cc3ccccc3C2)CC1 ZINC000584871249 1040183950 /nfs/dbraw/zinc/18/39/50/1040183950.db2.gz QSBIHVPOXGXOKV-UHFFFAOYSA-N 2 1 334.507 3.998 20 0 EHADMP C[NH+]1CCC([N@H+](Cc2ccccc2)CC2Cc3ccccc3C2)CC1 ZINC000584871249 1040183959 /nfs/dbraw/zinc/18/39/59/1040183959.db2.gz QSBIHVPOXGXOKV-UHFFFAOYSA-N 2 1 334.507 3.998 20 0 EHADMP C[NH+]1CCC(CC[N@H+]2CCc3ccc(Br)cc3C2)CC1 ZINC001207485661 1040224473 /nfs/dbraw/zinc/22/44/73/1040224473.db2.gz ZUDUFCVIFHICDY-UHFFFAOYSA-N 2 1 337.305 3.539 20 0 EHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000479442007 1040239138 /nfs/dbraw/zinc/23/91/38/1040239138.db2.gz CFEKRPUJOGVIHJ-BWAGFHJFSA-N 2 1 342.527 3.725 20 0 EHADMP CC1CC[NH+](CCN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000489998063 1040278162 /nfs/dbraw/zinc/27/81/62/1040278162.db2.gz IOOGGECRUUUYBI-HXUWFJFHSA-N 2 1 335.580 3.695 20 0 EHADMP CC1CCN(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000489998063 1040278173 /nfs/dbraw/zinc/27/81/73/1040278173.db2.gz IOOGGECRUUUYBI-HXUWFJFHSA-N 2 1 335.580 3.695 20 0 EHADMP CC1CCN(CC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000489998063 1040278189 /nfs/dbraw/zinc/27/81/89/1040278189.db2.gz IOOGGECRUUUYBI-HXUWFJFHSA-N 2 1 335.580 3.695 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000481027577 1040288978 /nfs/dbraw/zinc/28/89/78/1040288978.db2.gz WCOCGHZZJFSKFM-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@H+]1CC[C@@H]2CCN(c3ccnc4cc(Br)ccc43)[C@H]2C1 ZINC000486707658 1040368328 /nfs/dbraw/zinc/36/83/28/1040368328.db2.gz JOAWAYACUDIGAQ-PXAZEXFGSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@H]2C1 ZINC000486707658 1040368343 /nfs/dbraw/zinc/36/83/43/1040368343.db2.gz JOAWAYACUDIGAQ-PXAZEXFGSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@H]2C1 ZINC000486707658 1040368359 /nfs/dbraw/zinc/36/83/59/1040368359.db2.gz JOAWAYACUDIGAQ-PXAZEXFGSA-N 2 1 346.272 3.528 20 0 EHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc2c1OCCO2 ZINC000479607177 1040427900 /nfs/dbraw/zinc/42/79/00/1040427900.db2.gz SVKFNSOLTVHGPV-UHFFFAOYSA-N 2 1 332.488 3.592 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2-c2ccnn2C)[C@@H](C)C1 ZINC000555336233 1040452352 /nfs/dbraw/zinc/45/23/52/1040452352.db2.gz QYHDJWRRHBMAOE-PXNSSMCTSA-N 2 1 340.515 3.558 20 0 EHADMP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872731 1040799221 /nfs/dbraw/zinc/79/92/21/1040799221.db2.gz IDBCKIAUHNATPL-INECWFNRSA-N 2 1 334.529 3.507 20 0 EHADMP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872731 1040799240 /nfs/dbraw/zinc/79/92/40/1040799240.db2.gz IDBCKIAUHNATPL-INECWFNRSA-N 2 1 334.529 3.507 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248721594 1040832988 /nfs/dbraw/zinc/83/29/88/1040832988.db2.gz FMDZLQCTCYVGNN-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025988 1040871122 /nfs/dbraw/zinc/87/11/22/1040871122.db2.gz XEYGHLDYINRVQC-ICSRJNTNSA-N 2 1 341.474 3.826 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025988 1040871130 /nfs/dbraw/zinc/87/11/30/1040871130.db2.gz XEYGHLDYINRVQC-ICSRJNTNSA-N 2 1 341.474 3.826 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(O)c2OC)CC1)CC1CC1 ZINC000491057112 1040894964 /nfs/dbraw/zinc/89/49/64/1040894964.db2.gz DFTLQURUPIYLBP-UHFFFAOYSA-N 2 1 346.515 3.735 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000668785734 1041012904 /nfs/dbraw/zinc/01/29/04/1041012904.db2.gz WGLDLNRCPWIFNX-HBMCJLEFSA-N 2 1 330.516 3.539 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149739 1041097173 /nfs/dbraw/zinc/09/71/73/1041097173.db2.gz YJJBIXQUHQJXSP-PXNSSMCTSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149739 1041097191 /nfs/dbraw/zinc/09/71/91/1041097191.db2.gz YJJBIXQUHQJXSP-PXNSSMCTSA-N 2 1 340.515 3.638 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000398149739 1041097210 /nfs/dbraw/zinc/09/72/10/1041097210.db2.gz YJJBIXQUHQJXSP-PXNSSMCTSA-N 2 1 340.515 3.638 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC001205996516 1132635828 /nfs/dbraw/zinc/63/58/28/1132635828.db2.gz WYRLRQKOKNQJMI-HIFRSBDPSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205997070 1132638600 /nfs/dbraw/zinc/63/86/00/1132638600.db2.gz ZKMLWGOHZOSAKG-VXGBXAGGSA-N 2 1 345.712 3.909 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cs1 ZINC000193969072 1041183567 /nfs/dbraw/zinc/18/35/67/1041183567.db2.gz MGOCAKDZLUFOCL-GHMZBOCLSA-N 2 1 329.307 3.646 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731682 1041305776 /nfs/dbraw/zinc/30/57/76/1041305776.db2.gz WCBMQXCHEMLMCZ-IIBYNOLFSA-N 2 1 336.479 3.718 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCOC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513043277 1041412826 /nfs/dbraw/zinc/41/28/26/1041412826.db2.gz ZJQYBMBMGVPAQO-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513043277 1041412832 /nfs/dbraw/zinc/41/28/32/1041412832.db2.gz ZJQYBMBMGVPAQO-AZUAARDMSA-N 2 1 330.516 3.978 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487880 1041568634 /nfs/dbraw/zinc/56/86/34/1041568634.db2.gz OTSINOBREOVWEH-VQTJNVASSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000660487880 1041568639 /nfs/dbraw/zinc/56/86/39/1041568639.db2.gz OTSINOBREOVWEH-VQTJNVASSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000893411549 1041901325 /nfs/dbraw/zinc/90/13/25/1041901325.db2.gz HESMVURWGZDKKB-QFBILLFUSA-N 2 1 327.447 3.529 20 0 EHADMP C[C@@H](COCC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287104 1042309398 /nfs/dbraw/zinc/30/93/98/1042309398.db2.gz NPLBCLPFGRCYTE-DVWBAYGPSA-N 2 1 328.500 3.587 20 0 EHADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000652313472 1042349747 /nfs/dbraw/zinc/34/97/47/1042349747.db2.gz WZYLDRVVHFOAHL-HBMCJLEFSA-N 2 1 342.527 3.572 20 0 EHADMP Cc1ccc(SCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652347586 1042407915 /nfs/dbraw/zinc/40/79/15/1042407915.db2.gz FHPUVYNLQBJZIJ-NLWGTHIKSA-N 2 1 348.556 3.614 20 0 EHADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348572 1042409536 /nfs/dbraw/zinc/40/95/36/1042409536.db2.gz IRQPASUZQXYISI-JOQQVMPUSA-N 2 1 338.442 3.634 20 0 EHADMP CCc1cc(N2CCC(CC[N@@H+](CC)CC3CC3)CC2)nc(C)[nH+]1 ZINC000543876777 1042449075 /nfs/dbraw/zinc/44/90/75/1042449075.db2.gz CYHCRLYSJHMFPH-UHFFFAOYSA-N 2 1 330.520 3.686 20 0 EHADMP CCc1cc(N2CCC(CC[N@H+](CC)CC3CC3)CC2)nc(C)[nH+]1 ZINC000543876777 1042449077 /nfs/dbraw/zinc/44/90/77/1042449077.db2.gz CYHCRLYSJHMFPH-UHFFFAOYSA-N 2 1 330.520 3.686 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000188373280 1042599093 /nfs/dbraw/zinc/59/90/93/1042599093.db2.gz PVQOFZITRWNEMU-UHFFFAOYSA-N 2 1 339.483 3.599 20 0 EHADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000188373280 1042599095 /nfs/dbraw/zinc/59/90/95/1042599095.db2.gz PVQOFZITRWNEMU-UHFFFAOYSA-N 2 1 339.483 3.599 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000662278019 1042654446 /nfs/dbraw/zinc/65/44/46/1042654446.db2.gz ZFSMGWSNYFIZFH-XJKSGUPXSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000662278019 1042654451 /nfs/dbraw/zinc/65/44/51/1042654451.db2.gz ZFSMGWSNYFIZFH-XJKSGUPXSA-N 2 1 326.456 3.521 20 0 EHADMP FC(F)(F)[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC12CCC2 ZINC000662281771 1042656350 /nfs/dbraw/zinc/65/63/50/1042656350.db2.gz LYQVWVJJBNGROV-QGZVFWFLSA-N 2 1 338.417 3.887 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291762 1042662430 /nfs/dbraw/zinc/66/24/30/1042662430.db2.gz KAZPSOVXHODVAJ-HIFRSBDPSA-N 2 1 346.500 3.571 20 0 EHADMP c1csc(-c2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)no2)c1 ZINC000662291955 1042664917 /nfs/dbraw/zinc/66/49/17/1042664917.db2.gz ZRAGQTRTNSOOLM-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1F ZINC000161682545 1042677295 /nfs/dbraw/zinc/67/72/95/1042677295.db2.gz UDDKVYSMTQXNDI-RHSMWYFYSA-N 2 1 342.886 3.757 20 0 EHADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314552 1042680756 /nfs/dbraw/zinc/68/07/56/1042680756.db2.gz NOMWSZOMVLOJPX-NVXWUHKLSA-N 2 1 349.544 3.577 20 0 EHADMP C[C@@H](CCSc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326043 1042685141 /nfs/dbraw/zinc/68/51/41/1042685141.db2.gz UWHIHTKZNHKECS-ZWKOTPCHSA-N 2 1 336.545 3.600 20 0 EHADMP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000631085189 1042882554 /nfs/dbraw/zinc/88/25/54/1042882554.db2.gz HNYZBOZQZVLPKY-OXQOHEQNSA-N 2 1 339.483 3.541 20 0 EHADMP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000631085189 1042882560 /nfs/dbraw/zinc/88/25/60/1042882560.db2.gz HNYZBOZQZVLPKY-OXQOHEQNSA-N 2 1 339.483 3.541 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467386 1042888433 /nfs/dbraw/zinc/88/84/33/1042888433.db2.gz FFWBNFZLCSCAGE-VQIMIIECSA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467386 1042888436 /nfs/dbraw/zinc/88/84/36/1042888436.db2.gz FFWBNFZLCSCAGE-VQIMIIECSA-N 2 1 332.463 3.751 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000663467221 1042891968 /nfs/dbraw/zinc/89/19/68/1042891968.db2.gz DSJZFQSCDGFUOV-PKOBYXMFSA-N 2 1 346.515 3.867 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663472103 1042902570 /nfs/dbraw/zinc/90/25/70/1042902570.db2.gz YRJNTGODKYEFOM-ZHALLVOQSA-N 2 1 330.516 3.899 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000278933255 1042986641 /nfs/dbraw/zinc/98/66/41/1042986641.db2.gz JJOULZCJTIZGDE-BBRMVZONSA-N 2 1 348.288 3.949 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001167836438 1043043610 /nfs/dbraw/zinc/04/36/10/1043043610.db2.gz ZZUFIUYNWRKBMT-SLFFLAALSA-N 2 1 329.532 3.565 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001167840421 1043085745 /nfs/dbraw/zinc/08/57/45/1043085745.db2.gz GOUNUCASSYQVSM-GOSISDBHSA-N 2 1 328.504 3.815 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001167841865 1043132389 /nfs/dbraw/zinc/13/23/89/1043132389.db2.gz SRCSETYDKOCBEA-DOMZBBRYSA-N 2 1 332.414 3.853 20 0 EHADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418629 1043143833 /nfs/dbraw/zinc/14/38/33/1043143833.db2.gz UBQHRFHNRMCADN-RZQQEMMASA-N 2 1 334.479 3.540 20 0 EHADMP COc1ccc(Oc2ccc(C[NH2+]CCn3cc[nH+]c3C)cc2)cc1 ZINC000344241156 1043492856 /nfs/dbraw/zinc/49/28/56/1043492856.db2.gz VZLKMASDKANNLI-UHFFFAOYSA-N 2 1 337.423 3.782 20 0 EHADMP Clc1cnccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390961805 1043623255 /nfs/dbraw/zinc/62/32/55/1043623255.db2.gz MUCQUFYIXMOLJN-ALOPSCKCSA-N 2 1 327.859 3.764 20 0 EHADMP Clc1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390961805 1043623260 /nfs/dbraw/zinc/62/32/60/1043623260.db2.gz MUCQUFYIXMOLJN-ALOPSCKCSA-N 2 1 327.859 3.764 20 0 EHADMP Clc1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390961805 1043623265 /nfs/dbraw/zinc/62/32/65/1043623265.db2.gz MUCQUFYIXMOLJN-ALOPSCKCSA-N 2 1 327.859 3.764 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CCC2)cc1 ZINC000187190824 1043897091 /nfs/dbraw/zinc/89/70/91/1043897091.db2.gz JPDZCFSRGFRVHC-RTWAWAEBSA-N 2 1 330.516 3.663 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000187190770 1043897966 /nfs/dbraw/zinc/89/79/66/1043897966.db2.gz LWYDUEQLYJOHQK-MJGOQNOKSA-N 2 1 348.556 3.667 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CCC2)cc1 ZINC000187190807 1043898288 /nfs/dbraw/zinc/89/82/88/1043898288.db2.gz JPDZCFSRGFRVHC-NHCUHLMSSA-N 2 1 330.516 3.663 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000163157282 1043911811 /nfs/dbraw/zinc/91/18/11/1043911811.db2.gz PKHQZVODBOAAEB-FQEVSTJZSA-N 2 1 327.472 3.510 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000163157282 1043911825 /nfs/dbraw/zinc/91/18/25/1043911825.db2.gz PKHQZVODBOAAEB-FQEVSTJZSA-N 2 1 327.472 3.510 20 0 EHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCCC4CCOCC4)C3)C2)cc1 ZINC000512285575 1044549973 /nfs/dbraw/zinc/54/99/73/1044549973.db2.gz IYJFTOKJWYRNMG-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCCC4CCOCC4)C3)C2)cc1 ZINC000512285575 1044549990 /nfs/dbraw/zinc/54/99/90/1044549990.db2.gz IYJFTOKJWYRNMG-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCCC4CCOCC4)C3)C2)cc1 ZINC000512285575 1044549998 /nfs/dbraw/zinc/54/99/98/1044549998.db2.gz IYJFTOKJWYRNMG-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000174773270 1126859907 /nfs/dbraw/zinc/85/99/07/1126859907.db2.gz HPYXEPSPOKXXOW-RHSMWYFYSA-N 2 1 344.421 3.790 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185423070 1126889711 /nfs/dbraw/zinc/88/97/11/1126889711.db2.gz HHFCFFSCYIVUSP-QFIPXVFZSA-N 2 1 347.462 3.638 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1(C)C ZINC000623379364 1126940235 /nfs/dbraw/zinc/94/02/35/1126940235.db2.gz LWXJBXHVSAGNHC-RDJZCZTQSA-N 2 1 335.923 3.629 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422226 1126950791 /nfs/dbraw/zinc/95/07/91/1126950791.db2.gz NKQLVEBYPSDARB-PXNSSMCTSA-N 3 1 329.532 3.674 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623898594 1127208568 /nfs/dbraw/zinc/20/85/68/1127208568.db2.gz MOINRGJEVIUGDS-INIZCTEOSA-N 2 1 337.471 3.723 20 0 EHADMP C[N@H+]1CC[C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1(C)C ZINC000623951229 1127221052 /nfs/dbraw/zinc/22/10/52/1127221052.db2.gz FCVXXFCVAHKEFZ-LJQANCHMSA-N 2 1 347.572 3.563 20 0 EHADMP C[N@H+]1CC[C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1(C)C ZINC000623951228 1127221060 /nfs/dbraw/zinc/22/10/60/1127221060.db2.gz FCVXXFCVAHKEFZ-IBGZPJMESA-N 2 1 347.572 3.563 20 0 EHADMP COC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121087 1127255365 /nfs/dbraw/zinc/25/53/65/1127255365.db2.gz NVROTCJZXQNMIX-RHSMWYFYSA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121087 1127255370 /nfs/dbraw/zinc/25/53/70/1127255370.db2.gz NVROTCJZXQNMIX-RHSMWYFYSA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121087 1127255372 /nfs/dbraw/zinc/25/53/72/1127255372.db2.gz NVROTCJZXQNMIX-RHSMWYFYSA-N 2 1 344.421 3.714 20 0 EHADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120820 1127255758 /nfs/dbraw/zinc/25/57/58/1127255758.db2.gz HPFCCWZCAIQNAI-QWHCGFSZSA-N 2 1 330.394 3.810 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120820 1127255759 /nfs/dbraw/zinc/25/57/59/1127255759.db2.gz HPFCCWZCAIQNAI-QWHCGFSZSA-N 2 1 330.394 3.810 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000624120820 1127255761 /nfs/dbraw/zinc/25/57/61/1127255761.db2.gz HPFCCWZCAIQNAI-QWHCGFSZSA-N 2 1 330.394 3.810 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C12CCC2 ZINC000181632026 1127286320 /nfs/dbraw/zinc/28/63/20/1127286320.db2.gz SWNJQTPRWPURCF-QXAKKESOSA-N 2 1 348.556 3.897 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C12CCC2 ZINC000181632026 1127286321 /nfs/dbraw/zinc/28/63/21/1127286321.db2.gz SWNJQTPRWPURCF-QXAKKESOSA-N 2 1 348.556 3.897 20 0 EHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000184510901 1127407095 /nfs/dbraw/zinc/40/70/95/1127407095.db2.gz NSRFOMXZRNZVNM-HUUCEWRRSA-N 2 1 339.549 3.556 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000417354893 1127447434 /nfs/dbraw/zinc/44/74/34/1127447434.db2.gz ABVSVLLFGAMHBV-HBMCJLEFSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000417354893 1127447438 /nfs/dbraw/zinc/44/74/38/1127447438.db2.gz ABVSVLLFGAMHBV-HBMCJLEFSA-N 2 1 330.516 3.743 20 0 EHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000193982896 1127449206 /nfs/dbraw/zinc/44/92/06/1127449206.db2.gz NHMPXYPKGFPXRW-GOEBONIOSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000765238846 1127587297 /nfs/dbraw/zinc/58/72/97/1127587297.db2.gz MKMSRKXIBAEGDO-HSZRJFAPSA-N 2 1 349.522 3.520 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000765239719 1127587650 /nfs/dbraw/zinc/58/76/50/1127587650.db2.gz SIWZEOFVEGCBSL-ROUUACIJSA-N 2 1 340.515 3.953 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(C)ccc32)[C@@H](C)C1 ZINC000765428672 1127612117 /nfs/dbraw/zinc/61/21/17/1127612117.db2.gz UJVLCKWTASMVAR-DZFGPLHGSA-N 2 1 330.516 3.709 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(Cl)c(C)nn1C ZINC000921513675 1127617154 /nfs/dbraw/zinc/61/71/54/1127617154.db2.gz SVTQHBCVJUQNEQ-UHFFFAOYSA-N 2 1 334.895 3.514 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980823 1127617672 /nfs/dbraw/zinc/61/76/72/1127617672.db2.gz RAVKJVASNARCHG-LEWJYISDSA-N 2 1 342.527 3.980 20 0 EHADMP CC(C)n1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000172013676 1127659368 /nfs/dbraw/zinc/65/93/68/1127659368.db2.gz PIDLFGUKOBZACA-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP CC(C)n1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000172013676 1127659372 /nfs/dbraw/zinc/65/93/72/1127659372.db2.gz PIDLFGUKOBZACA-UHFFFAOYSA-N 2 1 340.515 3.808 20 0 EHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000060368541 1128099045 /nfs/dbraw/zinc/09/90/45/1128099045.db2.gz WFXXRBWEUHKMRB-ZIAGYGMSSA-N 2 1 342.936 3.723 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000060978596 1128117090 /nfs/dbraw/zinc/11/70/90/1128117090.db2.gz SDZIAPSCYSIODJ-CALCHBBNSA-N 2 1 334.504 3.552 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000060978596 1128117091 /nfs/dbraw/zinc/11/70/91/1128117091.db2.gz SDZIAPSCYSIODJ-CALCHBBNSA-N 2 1 334.504 3.552 20 0 EHADMP COc1ccc([C@H]2C[C@@H]([N@@H+](CCC[NH3+])C3CCCCC3)CCO2)cc1 ZINC001168591224 1128179250 /nfs/dbraw/zinc/17/92/50/1128179250.db2.gz UMCFXFOOPVJUGV-PZJWPPBQSA-N 2 1 346.515 3.899 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@@H]2CCC[C@@H]21 ZINC000671744454 1128183346 /nfs/dbraw/zinc/18/33/46/1128183346.db2.gz JERYKROHBOFUPR-LNLFQRSKSA-N 2 1 331.891 3.826 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1 ZINC000089722551 1128431365 /nfs/dbraw/zinc/43/13/65/1128431365.db2.gz CNJOXWKDJYFCHK-IBGZPJMESA-N 2 1 338.495 3.751 20 0 EHADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655848998 1128500968 /nfs/dbraw/zinc/50/09/68/1128500968.db2.gz NSNDLSFRQPKYKA-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848998 1128500972 /nfs/dbraw/zinc/50/09/72/1128500972.db2.gz NSNDLSFRQPKYKA-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848998 1128500974 /nfs/dbraw/zinc/50/09/74/1128500974.db2.gz NSNDLSFRQPKYKA-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848998 1128500978 /nfs/dbraw/zinc/50/09/78/1128500978.db2.gz NSNDLSFRQPKYKA-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848998 1128500981 /nfs/dbraw/zinc/50/09/81/1128500981.db2.gz NSNDLSFRQPKYKA-UVUJQTEASA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000156195247 1128682555 /nfs/dbraw/zinc/68/25/55/1128682555.db2.gz QDEXNCKVWRERSA-MOPGFXCFSA-N 3 1 343.559 3.881 20 0 EHADMP C[N@H+]1CCC[C@@H](CNCc2cccc3c2OCC3)[C@@H]1c1cccs1 ZINC000921775532 1128751095 /nfs/dbraw/zinc/75/10/95/1128751095.db2.gz GAPXPYUKGPJTJC-QFBILLFUSA-N 2 1 342.508 3.856 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)[C@@H]1c1cccs1 ZINC000921775532 1128751101 /nfs/dbraw/zinc/75/11/01/1128751101.db2.gz GAPXPYUKGPJTJC-QFBILLFUSA-N 2 1 342.508 3.856 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)[C@@H]1c1cccs1 ZINC000921775532 1128751104 /nfs/dbraw/zinc/75/11/04/1128751104.db2.gz GAPXPYUKGPJTJC-QFBILLFUSA-N 2 1 342.508 3.856 20 0 EHADMP CCn1cnc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC001648805293 1120043725 /nfs/dbraw/zinc/04/37/25/1120043725.db2.gz OSDWPYJFKROFCQ-UHFFFAOYSA-N 2 1 334.895 3.686 20 0 EHADMP CCn1cnc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC001648805293 1120043729 /nfs/dbraw/zinc/04/37/29/1120043729.db2.gz OSDWPYJFKROFCQ-UHFFFAOYSA-N 2 1 334.895 3.686 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000236785278 1120106090 /nfs/dbraw/zinc/10/60/90/1120106090.db2.gz JTKTVEXQAGKNOW-LBPRGKRZSA-N 2 1 345.712 3.924 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000236785278 1120106093 /nfs/dbraw/zinc/10/60/93/1120106093.db2.gz JTKTVEXQAGKNOW-LBPRGKRZSA-N 2 1 345.712 3.924 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000310424703 1128910499 /nfs/dbraw/zinc/91/04/99/1128910499.db2.gz ZUTVFXHXTGVCJV-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000185276237 1120406823 /nfs/dbraw/zinc/40/68/23/1120406823.db2.gz UINUQLRATYOYDB-KRWDZBQOSA-N 2 1 339.483 3.541 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000494556474 1120593948 /nfs/dbraw/zinc/59/39/48/1120593948.db2.gz FCQZPEPYLRGEIB-OXJNMPFZSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494556474 1120593951 /nfs/dbraw/zinc/59/39/51/1120593951.db2.gz FCQZPEPYLRGEIB-OXJNMPFZSA-N 2 1 341.499 3.626 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494556474 1120593953 /nfs/dbraw/zinc/59/39/53/1120593953.db2.gz FCQZPEPYLRGEIB-OXJNMPFZSA-N 2 1 341.499 3.626 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000191386607 1120671537 /nfs/dbraw/zinc/67/15/37/1120671537.db2.gz KVQUFLFGDPDDRR-HXUWFJFHSA-N 2 1 328.500 3.926 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000191386607 1120671540 /nfs/dbraw/zinc/67/15/40/1120671540.db2.gz KVQUFLFGDPDDRR-HXUWFJFHSA-N 2 1 328.500 3.926 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378176 1120705630 /nfs/dbraw/zinc/70/56/30/1120705630.db2.gz QXTIXYDJFRDJTB-RBUKOAKNSA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)C1 ZINC000467378176 1120705632 /nfs/dbraw/zinc/70/56/32/1120705632.db2.gz QXTIXYDJFRDJTB-RBUKOAKNSA-N 2 1 340.515 3.891 20 0 EHADMP C[C@H](CC[NH2+][C@H](C)c1ccnn1-c1ccccc1)[NH+]1CCCCC1 ZINC000467387821 1120743764 /nfs/dbraw/zinc/74/37/64/1120743764.db2.gz DJSQMGGERRXBPS-QZTJIDSGSA-N 2 1 326.488 3.787 20 0 EHADMP Cc1ccc([C@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192745760 1120746787 /nfs/dbraw/zinc/74/67/87/1120746787.db2.gz FZTKLEGQHWWHIT-JOCHJYFZSA-N 2 1 343.559 3.938 20 0 EHADMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632285 1120800437 /nfs/dbraw/zinc/80/04/37/1120800437.db2.gz WQLXLKSNQWOCHT-IBGZPJMESA-N 2 1 332.488 3.717 20 0 EHADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632285 1120800440 /nfs/dbraw/zinc/80/04/40/1120800440.db2.gz WQLXLKSNQWOCHT-IBGZPJMESA-N 2 1 332.488 3.717 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227914896 1120924062 /nfs/dbraw/zinc/92/40/62/1120924062.db2.gz CJUVVYKFLHZPOM-XYPHTWIQSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494975473 1120925045 /nfs/dbraw/zinc/92/50/45/1120925045.db2.gz DOKKFCRLZOGQFB-YVMONPNESA-N 2 1 335.495 3.939 20 0 EHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495071843 1120944743 /nfs/dbraw/zinc/94/47/43/1120944743.db2.gz YOMMOUKDWUMKFX-DAWZGUTISA-N 2 1 334.508 3.648 20 0 EHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495071843 1120944746 /nfs/dbraw/zinc/94/47/46/1120944746.db2.gz YOMMOUKDWUMKFX-DAWZGUTISA-N 2 1 334.508 3.648 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001168480221 1120984838 /nfs/dbraw/zinc/98/48/38/1120984838.db2.gz MLWJBHJCMRLJLA-RYQLBKOJSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001168480221 1120984841 /nfs/dbraw/zinc/98/48/41/1120984841.db2.gz MLWJBHJCMRLJLA-RYQLBKOJSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001168480221 1120984844 /nfs/dbraw/zinc/98/48/44/1120984844.db2.gz MLWJBHJCMRLJLA-RYQLBKOJSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001168480221 1120984846 /nfs/dbraw/zinc/98/48/46/1120984846.db2.gz MLWJBHJCMRLJLA-RYQLBKOJSA-N 2 1 344.499 3.882 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)nc(CC)n3C2CC2)CC1 ZINC000338778256 1128961966 /nfs/dbraw/zinc/96/19/66/1128961966.db2.gz JXIAJBDWWSTNAY-UHFFFAOYSA-N 2 1 340.515 3.898 20 0 EHADMP C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000282111064 1121348320 /nfs/dbraw/zinc/34/83/20/1121348320.db2.gz AFICCHYAHIJWMK-GVDBMIGSSA-N 2 1 337.511 3.878 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976397 1128988727 /nfs/dbraw/zinc/98/87/27/1128988727.db2.gz DXJJDOJTRDGEKJ-PKOBYXMFSA-N 2 1 338.499 3.608 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976397 1128988731 /nfs/dbraw/zinc/98/87/31/1128988731.db2.gz DXJJDOJTRDGEKJ-PKOBYXMFSA-N 2 1 338.499 3.608 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873121 1121551685 /nfs/dbraw/zinc/55/16/85/1121551685.db2.gz FZSNVBCMLUOLPW-MAUKXSAKSA-N 2 1 347.503 3.772 20 0 EHADMP C[NH+](C)[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000066043811 1122454001 /nfs/dbraw/zinc/45/40/01/1122454001.db2.gz YWYZUDATISFREJ-FQEVSTJZSA-N 2 1 337.467 3.524 20 0 EHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127070796 1122459695 /nfs/dbraw/zinc/45/96/95/1122459695.db2.gz RXNWMTLEHRUWFG-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000127070796 1122459702 /nfs/dbraw/zinc/45/97/02/1122459702.db2.gz RXNWMTLEHRUWFG-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127070796 1122459709 /nfs/dbraw/zinc/45/97/09/1122459709.db2.gz RXNWMTLEHRUWFG-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1 ZINC000127910144 1122514791 /nfs/dbraw/zinc/51/47/91/1122514791.db2.gz FUFTZICEVONQAT-KRWDZBQOSA-N 2 1 334.479 3.554 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ncccc2Cl)C[C@H]1c1ccccc1 ZINC000556118882 1122825936 /nfs/dbraw/zinc/82/59/36/1122825936.db2.gz LAXCORMWMZSNAO-AEFFLSMTSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ncccc2Cl)C[C@H]1c1ccccc1 ZINC000556118882 1122825941 /nfs/dbraw/zinc/82/59/41/1122825941.db2.gz LAXCORMWMZSNAO-AEFFLSMTSA-N 2 1 345.874 3.539 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000129865909 1122852317 /nfs/dbraw/zinc/85/23/17/1122852317.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129865909 1122852321 /nfs/dbraw/zinc/85/23/21/1122852321.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129865909 1122852327 /nfs/dbraw/zinc/85/23/27/1122852327.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129865909 1122852329 /nfs/dbraw/zinc/85/23/29/1122852329.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129865909 1122852333 /nfs/dbraw/zinc/85/23/33/1122852333.db2.gz NDZGCLDTYURZFA-AVRDEDQJSA-N 2 1 343.559 3.881 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000556178165 1122860844 /nfs/dbraw/zinc/86/08/44/1122860844.db2.gz DEGJBUOVOPUULH-WOZUAGRISA-N 2 1 328.500 3.617 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000556178165 1122860845 /nfs/dbraw/zinc/86/08/45/1122860845.db2.gz DEGJBUOVOPUULH-WOZUAGRISA-N 2 1 328.500 3.617 20 0 EHADMP C[N@H+](Cc1cc(F)ccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130107338 1122886452 /nfs/dbraw/zinc/88/64/52/1122886452.db2.gz RDIHSVFUYPCENI-UHFFFAOYSA-N 2 1 331.410 3.708 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Br)c1C ZINC000130410737 1122949417 /nfs/dbraw/zinc/94/94/17/1122949417.db2.gz RCJYUUBEFNKEAW-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Br)c1C ZINC000130410737 1122949422 /nfs/dbraw/zinc/94/94/22/1122949422.db2.gz RCJYUUBEFNKEAW-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C)c1Br ZINC001236217191 1123107841 /nfs/dbraw/zinc/10/78/41/1123107841.db2.gz NNIYZVXYPQBQFF-GJZGRUSLSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C)c1Br ZINC001236217191 1123107844 /nfs/dbraw/zinc/10/78/44/1123107844.db2.gz NNIYZVXYPQBQFF-GJZGRUSLSA-N 2 1 325.294 3.768 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153867 1123253557 /nfs/dbraw/zinc/25/35/57/1123253557.db2.gz BACJHZAOQMQGBK-LRSLUSHPSA-N 2 1 348.490 3.775 20 0 EHADMP CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499230257 1123284457 /nfs/dbraw/zinc/28/44/57/1123284457.db2.gz RQAOKQIJRFQJHN-BWUHRYBWSA-N 2 1 330.516 3.569 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000134162821 1123497429 /nfs/dbraw/zinc/49/74/29/1123497429.db2.gz DWGXPKAGXAMTHY-UHFFFAOYSA-N 2 1 328.500 3.906 20 0 EHADMP Clc1ccccc1OCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887369 1123561054 /nfs/dbraw/zinc/56/10/54/1123561054.db2.gz DYQKKGXPYPDGQO-CRAIPNDOSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887369 1123561058 /nfs/dbraw/zinc/56/10/58/1123561058.db2.gz DYQKKGXPYPDGQO-CRAIPNDOSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887369 1123561060 /nfs/dbraw/zinc/56/10/60/1123561060.db2.gz DYQKKGXPYPDGQO-CRAIPNDOSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887369 1123561064 /nfs/dbraw/zinc/56/10/64/1123561064.db2.gz DYQKKGXPYPDGQO-CRAIPNDOSA-N 2 1 334.891 3.668 20 0 EHADMP Clc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887369 1123561068 /nfs/dbraw/zinc/56/10/68/1123561068.db2.gz DYQKKGXPYPDGQO-CRAIPNDOSA-N 2 1 334.891 3.668 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)CCC(C)(C)[NH3+])C1CCCCC1 ZINC000649276727 1123630739 /nfs/dbraw/zinc/63/07/39/1123630739.db2.gz ADPCIYSDBWEGIW-UHFFFAOYSA-N 2 1 331.504 3.907 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000081571593 1123848082 /nfs/dbraw/zinc/84/80/82/1123848082.db2.gz CFUOZFCLXFPYRG-FQEVSTJZSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000081571593 1123848086 /nfs/dbraw/zinc/84/80/86/1123848086.db2.gz CFUOZFCLXFPYRG-FQEVSTJZSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000081571593 1123848089 /nfs/dbraw/zinc/84/80/89/1123848089.db2.gz CFUOZFCLXFPYRG-FQEVSTJZSA-N 2 1 340.515 3.653 20 0 EHADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245689552 1123925700 /nfs/dbraw/zinc/92/57/00/1123925700.db2.gz KDEYKLRZGYXRJJ-NMIHRBCNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245693637 1123927095 /nfs/dbraw/zinc/92/70/95/1123927095.db2.gz KSTFFUORTGOHDR-SCVBXBBHSA-N 2 1 328.500 3.728 20 0 EHADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245747853 1123943849 /nfs/dbraw/zinc/94/38/49/1123943849.db2.gz SWNSTQRWZQDLLG-WLRLJWMZSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@@H](C)[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245747853 1123943852 /nfs/dbraw/zinc/94/38/52/1123943852.db2.gz SWNSTQRWZQDLLG-WLRLJWMZSA-N 2 1 329.532 3.502 20 0 EHADMP CC[C@@H](C)[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245747853 1123943856 /nfs/dbraw/zinc/94/38/56/1123943856.db2.gz SWNSTQRWZQDLLG-WLRLJWMZSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H](c1ccccn1)[NH+](C)CCCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000246399144 1124450935 /nfs/dbraw/zinc/45/09/35/1124450935.db2.gz QIQPDGFEAHRUHP-QZTJIDSGSA-N 2 1 326.488 3.943 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)C1 ZINC000246977811 1124573706 /nfs/dbraw/zinc/57/37/06/1124573706.db2.gz JMTPFFUBRMSOMP-MJGOQNOKSA-N 2 1 340.515 3.790 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000247038320 1124580153 /nfs/dbraw/zinc/58/01/53/1124580153.db2.gz OAODXDQZPJBJGB-MQIPJXDCSA-N 2 1 330.394 3.532 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000247038320 1124580156 /nfs/dbraw/zinc/58/01/56/1124580156.db2.gz OAODXDQZPJBJGB-MQIPJXDCSA-N 2 1 330.394 3.532 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)C1 ZINC000247183983 1124594721 /nfs/dbraw/zinc/59/47/21/1124594721.db2.gz VLPJOHDRBPTVQX-IAGOWNOFSA-N 2 1 334.504 3.867 20 0 EHADMP COc1cccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CCCC2)c1 ZINC000248202140 1124646074 /nfs/dbraw/zinc/64/60/74/1124646074.db2.gz ZAFSMPVAGQAHAC-ABSDTBQOSA-N 2 1 330.516 3.825 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082951 1124943597 /nfs/dbraw/zinc/94/35/97/1124943597.db2.gz RCBBBVKXKXXLOM-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082951 1124943600 /nfs/dbraw/zinc/94/36/00/1124943600.db2.gz RCBBBVKXKXXLOM-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921878 1125390664 /nfs/dbraw/zinc/39/06/64/1125390664.db2.gz HYIFVFWCCDICCW-BXUZGUMPSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261921878 1125390666 /nfs/dbraw/zinc/39/06/66/1125390666.db2.gz HYIFVFWCCDICCW-BXUZGUMPSA-N 2 1 344.286 3.524 20 0 EHADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000681388568 1129184197 /nfs/dbraw/zinc/18/41/97/1129184197.db2.gz STUCGVXTHCCCRW-OAHLLOKOSA-N 2 1 346.272 3.555 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000681388568 1129184201 /nfs/dbraw/zinc/18/42/01/1129184201.db2.gz STUCGVXTHCCCRW-OAHLLOKOSA-N 2 1 346.272 3.555 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000543228908 1129356411 /nfs/dbraw/zinc/35/64/11/1129356411.db2.gz GCYIAQUFUQOYQL-OALUTQOASA-N 2 1 332.532 3.939 20 0 EHADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396394 1129357046 /nfs/dbraw/zinc/35/70/46/1129357046.db2.gz CDMWRSPUGYWEDW-SJLPKXTDSA-N 2 1 333.520 3.586 20 0 EHADMP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765977566 1129368563 /nfs/dbraw/zinc/36/85/63/1129368563.db2.gz QQKBYRRQQFJECT-DYESRHJHSA-N 2 1 330.516 3.933 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000765979154 1129404334 /nfs/dbraw/zinc/40/43/34/1129404334.db2.gz WMIUKXJVGXBWMC-FGZHOGPDSA-N 2 1 342.527 3.549 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000358916682 1129427502 /nfs/dbraw/zinc/42/75/02/1129427502.db2.gz SUGSFZVGVDQQTM-LPHOPBHVSA-N 2 1 346.515 3.793 20 0 EHADMP C[C@]1(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1(F)F ZINC000657671727 1129458724 /nfs/dbraw/zinc/45/87/24/1129458724.db2.gz YERQVAWMSUEIFP-SFHVURJKSA-N 2 1 340.433 3.858 20 0 EHADMP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C)[nH+]1 ZINC000359730544 1129483624 /nfs/dbraw/zinc/48/36/24/1129483624.db2.gz GOBUPHFXXSDCQL-OAQYLSRUSA-N 2 1 336.483 3.586 20 0 EHADMP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C)[nH+]1 ZINC000359730544 1129483625 /nfs/dbraw/zinc/48/36/25/1129483625.db2.gz GOBUPHFXXSDCQL-OAQYLSRUSA-N 2 1 336.483 3.586 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282408994 1129716372 /nfs/dbraw/zinc/71/63/72/1129716372.db2.gz YDZZGECOMCNXKI-FQEVSTJZSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000282424446 1129781392 /nfs/dbraw/zinc/78/13/92/1129781392.db2.gz YSDCLDJBYISPJN-OAQYLSRUSA-N 2 1 342.527 3.898 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccnc(Cl)c2)[C@H](C)C1 ZINC000766022613 1129817084 /nfs/dbraw/zinc/81/70/84/1129817084.db2.gz FUXPQVKONAIYSE-INMHGKMJSA-N 2 1 339.911 3.523 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccnc(Cl)c2)[C@H](C)C1 ZINC000766022613 1129817087 /nfs/dbraw/zinc/81/70/87/1129817087.db2.gz FUXPQVKONAIYSE-INMHGKMJSA-N 2 1 339.911 3.523 20 0 EHADMP CCc1noc(C)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282449482 1129868508 /nfs/dbraw/zinc/86/85/08/1129868508.db2.gz ISOOWKLDCGLYHM-FQEVSTJZSA-N 2 1 341.499 3.936 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282449482 1129868514 /nfs/dbraw/zinc/86/85/14/1129868514.db2.gz ISOOWKLDCGLYHM-FQEVSTJZSA-N 2 1 341.499 3.936 20 0 EHADMP CCOC1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657965955 1129928040 /nfs/dbraw/zinc/92/80/40/1129928040.db2.gz DOKGOBOYELAALY-GUSVMJMASA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000674069555 1129997108 /nfs/dbraw/zinc/99/71/08/1129997108.db2.gz GYCMTQKERIQXMS-SFHVURJKSA-N 2 1 325.500 3.933 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658138807 1130191634 /nfs/dbraw/zinc/19/16/34/1130191634.db2.gz OIBJJFRPMFNPJB-SFTDATJTSA-N 2 1 342.458 3.633 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123759 1130357507 /nfs/dbraw/zinc/35/75/07/1130357507.db2.gz RPERDKTWALRHGQ-HOCLYGCPSA-N 2 1 326.456 3.917 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123759 1130357514 /nfs/dbraw/zinc/35/75/14/1130357514.db2.gz RPERDKTWALRHGQ-HOCLYGCPSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123759 1130357520 /nfs/dbraw/zinc/35/75/20/1130357520.db2.gz RPERDKTWALRHGQ-HOCLYGCPSA-N 2 1 326.456 3.917 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000766123759 1130357527 /nfs/dbraw/zinc/35/75/27/1130357527.db2.gz RPERDKTWALRHGQ-HOCLYGCPSA-N 2 1 326.456 3.917 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222215 1130548055 /nfs/dbraw/zinc/54/80/55/1130548055.db2.gz FXZRKUQNEMMZBI-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222215 1130548058 /nfs/dbraw/zinc/54/80/58/1130548058.db2.gz FXZRKUQNEMMZBI-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000676222215 1130548063 /nfs/dbraw/zinc/54/80/63/1130548063.db2.gz FXZRKUQNEMMZBI-HOCLYGCPSA-N 2 1 328.378 3.501 20 0 EHADMP C[C@H](C[NH+](C)C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000348060899 1131145688 /nfs/dbraw/zinc/14/56/88/1131145688.db2.gz VJQFOJPEUOOVRP-MRXNPFEDSA-N 2 1 346.519 3.523 20 0 EHADMP S=c1ccn(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000739877008 1131512417 /nfs/dbraw/zinc/51/24/17/1131512417.db2.gz RZXOOVULJHMFPG-INIZCTEOSA-N 2 1 327.497 3.746 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000180129758 1131645202 /nfs/dbraw/zinc/64/52/02/1131645202.db2.gz NUPWLVAKTCBWID-JKSUJKDBSA-N 2 1 326.488 3.801 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000741788001 1131648875 /nfs/dbraw/zinc/64/88/75/1131648875.db2.gz QNLWHMKYGIGFBD-SFHLNBCPSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000741788001 1131648879 /nfs/dbraw/zinc/64/88/79/1131648879.db2.gz QNLWHMKYGIGFBD-SFHLNBCPSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000741788001 1131648881 /nfs/dbraw/zinc/64/88/81/1131648881.db2.gz QNLWHMKYGIGFBD-SFHLNBCPSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000741788001 1131648885 /nfs/dbraw/zinc/64/88/85/1131648885.db2.gz QNLWHMKYGIGFBD-SFHLNBCPSA-N 2 1 330.516 3.615 20 0 EHADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001172432471 1131725639 /nfs/dbraw/zinc/72/56/39/1131725639.db2.gz BITHNQYRFMMVAK-AYWYSENESA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172485204 1131739854 /nfs/dbraw/zinc/73/98/54/1131739854.db2.gz UPIFNPNIUQUVFM-ILWGZMRPSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172485204 1131739860 /nfs/dbraw/zinc/73/98/60/1131739860.db2.gz UPIFNPNIUQUVFM-ILWGZMRPSA-N 2 1 344.543 3.892 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172485204 1131739866 /nfs/dbraw/zinc/73/98/66/1131739866.db2.gz UPIFNPNIUQUVFM-ILWGZMRPSA-N 2 1 344.543 3.892 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172575569 1131779528 /nfs/dbraw/zinc/77/95/28/1131779528.db2.gz JDJQDQCXQKKFAI-STQMWFEESA-N 2 1 330.850 3.871 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172578825 1131792055 /nfs/dbraw/zinc/79/20/55/1131792055.db2.gz SBQICFJSPGQLJS-SCLBCKFNSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172578825 1131792061 /nfs/dbraw/zinc/79/20/61/1131792061.db2.gz SBQICFJSPGQLJS-SCLBCKFNSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172578825 1131792086 /nfs/dbraw/zinc/79/20/86/1131792086.db2.gz SBQICFJSPGQLJS-SCLBCKFNSA-N 2 1 342.861 3.967 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172918528 1131904042 /nfs/dbraw/zinc/90/40/42/1131904042.db2.gz RVTLJZHDTNICMJ-YMQHIKHWSA-N 2 1 328.500 3.729 20 0 EHADMP CO[C@H]1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001172938075 1131911402 /nfs/dbraw/zinc/91/14/02/1131911402.db2.gz JMVNGCLXZKWACK-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)C1 ZINC001172941992 1131913741 /nfs/dbraw/zinc/91/37/41/1131913741.db2.gz MHYROPGDYCIEHK-OALUTQOASA-N 2 1 332.488 3.525 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001172949554 1131926706 /nfs/dbraw/zinc/92/67/06/1131926706.db2.gz HNXXXPMMWGIOHJ-MYGLTJDJSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001172949554 1131926714 /nfs/dbraw/zinc/92/67/14/1131926714.db2.gz HNXXXPMMWGIOHJ-MYGLTJDJSA-N 2 1 342.527 3.788 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001172949554 1131926724 /nfs/dbraw/zinc/92/67/24/1131926724.db2.gz HNXXXPMMWGIOHJ-MYGLTJDJSA-N 2 1 342.527 3.788 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC001173108433 1131968830 /nfs/dbraw/zinc/96/88/30/1131968830.db2.gz KLSUGLMFJIDXEQ-UHFFFAOYSA-N 2 1 348.531 3.831 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC001173108194 1131969131 /nfs/dbraw/zinc/96/91/31/1131969131.db2.gz FUCFWQYUPJZEPZ-UHFFFAOYSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)CC1 ZINC001173112645 1131970457 /nfs/dbraw/zinc/97/04/57/1131970457.db2.gz DAOPRYRPQYCOQM-OFLPRAFFSA-N 2 1 339.524 3.538 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)CC1 ZINC001173112645 1131970461 /nfs/dbraw/zinc/97/04/61/1131970461.db2.gz DAOPRYRPQYCOQM-OFLPRAFFSA-N 2 1 339.524 3.538 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC001173112365 1131970674 /nfs/dbraw/zinc/97/06/74/1131970674.db2.gz WILUACMAWTWRSU-CBNMVNINSA-N 2 1 329.532 3.628 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)CCCC(=O)c2cccnc2)CC1 ZINC001173114802 1131971618 /nfs/dbraw/zinc/97/16/18/1131971618.db2.gz TWQWKPAJYHQOFN-UHFFFAOYSA-N 2 1 331.504 3.629 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000743847703 1131985362 /nfs/dbraw/zinc/98/53/62/1131985362.db2.gz GLQVOYYDOXFCKI-TUNNFDKTSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000743847703 1131985370 /nfs/dbraw/zinc/98/53/70/1131985370.db2.gz GLQVOYYDOXFCKI-TUNNFDKTSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000743847703 1131985373 /nfs/dbraw/zinc/98/53/73/1131985373.db2.gz GLQVOYYDOXFCKI-TUNNFDKTSA-N 2 1 344.543 3.923 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000743847703 1131985379 /nfs/dbraw/zinc/98/53/79/1131985379.db2.gz GLQVOYYDOXFCKI-TUNNFDKTSA-N 2 1 344.543 3.923 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001175071081 1132558791 /nfs/dbraw/zinc/55/87/91/1132558791.db2.gz YZXVBDBSSUWFKG-XYPHTWIQSA-N 2 1 342.405 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175071081 1132558796 /nfs/dbraw/zinc/55/87/96/1132558796.db2.gz YZXVBDBSSUWFKG-XYPHTWIQSA-N 2 1 342.405 3.920 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175071081 1132558798 /nfs/dbraw/zinc/55/87/98/1132558798.db2.gz YZXVBDBSSUWFKG-XYPHTWIQSA-N 2 1 342.405 3.920 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ccnc(F)c3)c(F)c1)C2 ZINC001169098465 1132654687 /nfs/dbraw/zinc/65/46/87/1132654687.db2.gz IKLJMRICPPYZCK-BJWYYQGGSA-N 2 1 343.421 3.742 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ccnc(F)c3)c(F)c1)C2 ZINC001169098465 1132654691 /nfs/dbraw/zinc/65/46/91/1132654691.db2.gz IKLJMRICPPYZCK-BJWYYQGGSA-N 2 1 343.421 3.742 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccccc3Cl)CC1)C2 ZINC001169140378 1132669330 /nfs/dbraw/zinc/66/93/30/1132669330.db2.gz JQLMUSFRTHEQIW-MUJYYYPQSA-N 2 1 334.891 3.808 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109323 1132671524 /nfs/dbraw/zinc/67/15/24/1132671524.db2.gz AUAAWMHZZRANQW-LOUJCGABSA-N 2 1 339.405 3.766 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206022808 1132875747 /nfs/dbraw/zinc/87/57/47/1132875747.db2.gz CVCNWLJGTDEJFM-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206022808 1132875756 /nfs/dbraw/zinc/87/57/56/1132875756.db2.gz CVCNWLJGTDEJFM-QWRGUYRKSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2F)CCC[C@@H]1C[NH3+] ZINC001206022813 1132876059 /nfs/dbraw/zinc/87/60/59/1132876059.db2.gz CVCNWLJGTDEJFM-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2F)CCC[C@@H]1C[NH3+] ZINC001206022813 1132876068 /nfs/dbraw/zinc/87/60/68/1132876068.db2.gz CVCNWLJGTDEJFM-WDEREUQCSA-N 2 1 347.247 3.534 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)cc1F ZINC001206025604 1132902966 /nfs/dbraw/zinc/90/29/66/1132902966.db2.gz OFOWHWZXZVOIGU-QWHCGFSZSA-N 2 1 343.284 3.703 20 0 EHADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001206276284 1132952267 /nfs/dbraw/zinc/95/22/67/1132952267.db2.gz DRRCZWRJMSZBBU-ZDUSSCGKSA-N 2 1 333.273 3.644 20 0 EHADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001206276284 1132952271 /nfs/dbraw/zinc/95/22/71/1132952271.db2.gz DRRCZWRJMSZBBU-ZDUSSCGKSA-N 2 1 333.273 3.644 20 0 EHADMP CCCN(CC[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176892883 1133008136 /nfs/dbraw/zinc/00/81/36/1133008136.db2.gz YQGNZUUJZFEORI-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892883 1133008140 /nfs/dbraw/zinc/00/81/40/1133008140.db2.gz YQGNZUUJZFEORI-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892883 1133008146 /nfs/dbraw/zinc/00/81/46/1133008146.db2.gz YQGNZUUJZFEORI-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892883 1133008152 /nfs/dbraw/zinc/00/81/52/1133008152.db2.gz YQGNZUUJZFEORI-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892883 1133008158 /nfs/dbraw/zinc/00/81/58/1133008158.db2.gz YQGNZUUJZFEORI-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn3ccccc23)[C@H]1c1cccs1 ZINC001177918653 1133112491 /nfs/dbraw/zinc/11/24/91/1133112491.db2.gz BBRDHPXVRVZVAD-KXBFYZLASA-N 2 1 340.496 3.569 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn3ccccc23)[C@H]1c1cccs1 ZINC001177918653 1133112493 /nfs/dbraw/zinc/11/24/93/1133112493.db2.gz BBRDHPXVRVZVAD-KXBFYZLASA-N 2 1 340.496 3.569 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CCO1 ZINC001178350933 1133157856 /nfs/dbraw/zinc/15/78/56/1133157856.db2.gz KSOSFLBFGBBHQY-DYESRHJHSA-N 2 1 345.531 3.834 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c1Br ZINC001206335589 1133179784 /nfs/dbraw/zinc/17/97/84/1133179784.db2.gz GNJLFZUXYOSSRQ-INIZCTEOSA-N 2 1 343.284 3.848 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000769487352 1133290138 /nfs/dbraw/zinc/29/01/38/1133290138.db2.gz VVSCYBSTWDAIOT-ICSRJNTNSA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000769487352 1133290144 /nfs/dbraw/zinc/29/01/44/1133290144.db2.gz VVSCYBSTWDAIOT-ICSRJNTNSA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000769487352 1133290149 /nfs/dbraw/zinc/29/01/49/1133290149.db2.gz VVSCYBSTWDAIOT-ICSRJNTNSA-N 2 1 329.532 3.839 20 0 EHADMP COC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC001179919931 1133307138 /nfs/dbraw/zinc/30/71/38/1133307138.db2.gz QJHBUEYFLJKOPY-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC001179919931 1133307143 /nfs/dbraw/zinc/30/71/43/1133307143.db2.gz QJHBUEYFLJKOPY-SFTDATJTSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H](C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C)NC(=O)OC(C)(C)C ZINC000769683095 1133323915 /nfs/dbraw/zinc/32/39/15/1133323915.db2.gz VKLBRFOWLXRBIB-BRWVUGGUSA-N 2 1 341.540 3.532 20 0 EHADMP CC[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC001180141039 1133330154 /nfs/dbraw/zinc/33/01/54/1133330154.db2.gz CWHMNLFPKGIFAI-HXUWFJFHSA-N 2 1 342.483 3.547 20 0 EHADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001181427905 1133485713 /nfs/dbraw/zinc/48/57/13/1133485713.db2.gz QLKJZIHMNCBZCL-TZIWHRDSSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN(Cc2ccccc2)C1 ZINC001181427905 1133485717 /nfs/dbraw/zinc/48/57/17/1133485717.db2.gz QLKJZIHMNCBZCL-TZIWHRDSSA-N 2 1 343.559 3.609 20 0 EHADMP CC(C)(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+](Cc2ccccc2)C1 ZINC001181775036 1133525528 /nfs/dbraw/zinc/52/55/28/1133525528.db2.gz AWTIVGKBNJUDIH-SJBKTWHCSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)C[N@H+](Cc1cc(-n2ccnc2)cs1)CC1CC[NH+](C)CC1 ZINC001183463236 1133810842 /nfs/dbraw/zinc/81/08/42/1133810842.db2.gz DBZZAHXXKDXEHT-UHFFFAOYSA-N 2 1 346.544 3.734 20 0 EHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788487064 1134130785 /nfs/dbraw/zinc/13/07/85/1134130785.db2.gz BSAGVHCWELTXEP-LJQANCHMSA-N 2 1 326.488 3.535 20 0 EHADMP C[N@H+]1CCC[C@H](C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)C1 ZINC001186369794 1134202753 /nfs/dbraw/zinc/20/27/53/1134202753.db2.gz LLRICMQOAZAEFS-HNNXBMFYSA-N 2 1 328.481 3.913 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001170134424 1134408806 /nfs/dbraw/zinc/40/88/06/1134408806.db2.gz BYUMYGYXWMWAKB-FGTMMUONSA-N 2 1 348.556 3.992 20 0 EHADMP CC(C)(C[NH2+]Cc1ccccc1N1CCCCC1)C[NH+]1CCCC1 ZINC000791011444 1134496525 /nfs/dbraw/zinc/49/65/25/1134496525.db2.gz UHFFJSBMKXTNTL-UHFFFAOYSA-N 2 1 329.532 3.889 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775376409 1134686334 /nfs/dbraw/zinc/68/63/34/1134686334.db2.gz WCEPBSNDMUBCJN-NCOADZHNSA-N 2 1 328.591 3.610 20 0 EHADMP CC[C@H]1C[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001170181115 1134699793 /nfs/dbraw/zinc/69/97/93/1134699793.db2.gz DGTWTVCWSNJQPI-ZOWQKVPBSA-N 2 1 348.490 3.521 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775388816 1134701982 /nfs/dbraw/zinc/70/19/82/1134701982.db2.gz UGPIYYMFWCOVRA-WCXIOVBPSA-N 2 1 342.618 3.856 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775388816 1134701985 /nfs/dbraw/zinc/70/19/85/1134701985.db2.gz UGPIYYMFWCOVRA-WCXIOVBPSA-N 2 1 342.618 3.856 20 0 EHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170194245 1134710076 /nfs/dbraw/zinc/71/00/76/1134710076.db2.gz NMFSLVXXEJKOND-NCXUSEDFSA-N 2 1 334.479 3.855 20 0 EHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2Br)CC1 ZINC001205558288 1134810366 /nfs/dbraw/zinc/81/03/66/1134810366.db2.gz DHSWMPFAFXVHQG-AWEZNQCLSA-N 2 1 349.675 3.755 20 0 EHADMP Cc1cc(F)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205570754 1134918973 /nfs/dbraw/zinc/91/89/73/1134918973.db2.gz OBBHFELEVUQCFE-HNNXBMFYSA-N 2 1 347.247 3.550 20 0 EHADMP Cc1cc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205570754 1134918979 /nfs/dbraw/zinc/91/89/79/1134918979.db2.gz OBBHFELEVUQCFE-HNNXBMFYSA-N 2 1 347.247 3.550 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001170432944 1134940803 /nfs/dbraw/zinc/94/08/03/1134940803.db2.gz WRGPUXCAGJFTPF-GOSISDBHSA-N 2 1 344.499 3.687 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001192744693 1135048955 /nfs/dbraw/zinc/04/89/55/1135048955.db2.gz HOBHUHOOOGPGMP-SFTDATJTSA-N 2 1 330.516 3.655 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205618281 1135087210 /nfs/dbraw/zinc/08/72/10/1135087210.db2.gz UDZANTKNGRBDDR-ZIAGYGMSSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@H]1CCOCC[NH+]1CCCCCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000775568473 1135096287 /nfs/dbraw/zinc/09/62/87/1135096287.db2.gz UJQPVOOAGIJUQL-PMACEKPBSA-N 2 1 340.552 3.549 20 0 EHADMP CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001196367627 1135551392 /nfs/dbraw/zinc/55/13/92/1135551392.db2.gz NRAOMOYCLZYZDI-HXUWFJFHSA-N 2 1 330.516 3.655 20 0 EHADMP CC(C)(C)n1cncc1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001198790235 1135853529 /nfs/dbraw/zinc/85/35/29/1135853529.db2.gz DYIIQGLLQMKVCK-SFHVURJKSA-N 2 1 332.536 3.694 20 0 EHADMP CC(C)(C)n1cncc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001198790235 1135853532 /nfs/dbraw/zinc/85/35/32/1135853532.db2.gz DYIIQGLLQMKVCK-SFHVURJKSA-N 2 1 332.536 3.694 20 0 EHADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)c2cccs2)CC1 ZINC001198968880 1135869954 /nfs/dbraw/zinc/86/99/54/1135869954.db2.gz KHAMTGXSLWVCMD-ZWKOTPCHSA-N 2 1 349.588 3.843 20 0 EHADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC001199336591 1135895966 /nfs/dbraw/zinc/89/59/66/1135895966.db2.gz SCBQDHQUXPUJSM-XLIONFOSSA-N 2 1 330.516 3.797 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC001199346108 1135896552 /nfs/dbraw/zinc/89/65/52/1135896552.db2.gz XHPUYQFECYXDBT-MRXNPFEDSA-N 2 1 329.463 3.976 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001199328392 1135898218 /nfs/dbraw/zinc/89/82/18/1135898218.db2.gz ADCFQJMXJFJZEG-KOUHRCEDSA-N 2 1 336.564 3.929 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001199328390 1135898284 /nfs/dbraw/zinc/89/82/84/1135898284.db2.gz ADCFQJMXJFJZEG-JYRKZWEQSA-N 2 1 336.564 3.929 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)c2C1 ZINC000810332322 1135955890 /nfs/dbraw/zinc/95/58/90/1135955890.db2.gz NINNXVQZRQOKCZ-HXUWFJFHSA-N 2 1 347.478 3.563 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)c2C1 ZINC000810332322 1135955892 /nfs/dbraw/zinc/95/58/92/1135955892.db2.gz NINNXVQZRQOKCZ-HXUWFJFHSA-N 2 1 347.478 3.563 20 0 EHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)c2C1 ZINC000810332322 1135955894 /nfs/dbraw/zinc/95/58/94/1135955894.db2.gz NINNXVQZRQOKCZ-HXUWFJFHSA-N 2 1 347.478 3.563 20 0 EHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)c2C1 ZINC000810332322 1135955895 /nfs/dbraw/zinc/95/58/95/1135955895.db2.gz NINNXVQZRQOKCZ-HXUWFJFHSA-N 2 1 347.478 3.563 20 0 EHADMP CCC[C@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201541141 1136033606 /nfs/dbraw/zinc/03/36/06/1136033606.db2.gz DAHOSPGEHYHAAP-ICSRJNTNSA-N 2 1 345.531 3.573 20 0 EHADMP CC(C)CC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001201617834 1136047483 /nfs/dbraw/zinc/04/74/83/1136047483.db2.gz PHZLGMVZCITTOZ-KRWDZBQOSA-N 2 1 336.545 3.850 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202159966 1136103538 /nfs/dbraw/zinc/10/35/38/1136103538.db2.gz FRHJQZWZDAYOIY-GOSISDBHSA-N 2 1 332.488 3.525 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1SC(F)F ZINC000776263320 1136114026 /nfs/dbraw/zinc/11/40/26/1136114026.db2.gz ADGGPJKOIXMXGR-LLVKDONJSA-N 2 1 341.427 3.637 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312494 1136194407 /nfs/dbraw/zinc/19/44/07/1136194407.db2.gz AXMFOHGFPOVGFZ-XYPHTWIQSA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312494 1136194410 /nfs/dbraw/zinc/19/44/10/1136194410.db2.gz AXMFOHGFPOVGFZ-XYPHTWIQSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312494 1136194413 /nfs/dbraw/zinc/19/44/13/1136194413.db2.gz AXMFOHGFPOVGFZ-XYPHTWIQSA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000812312494 1136194415 /nfs/dbraw/zinc/19/44/15/1136194415.db2.gz AXMFOHGFPOVGFZ-XYPHTWIQSA-N 2 1 344.421 3.543 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000813860177 1136367878 /nfs/dbraw/zinc/36/78/78/1136367878.db2.gz FVWLZSSASSMACD-QKNQBKEWSA-N 2 1 328.500 3.679 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000813860177 1136367881 /nfs/dbraw/zinc/36/78/81/1136367881.db2.gz FVWLZSSASSMACD-QKNQBKEWSA-N 2 1 328.500 3.679 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851748329 1136404778 /nfs/dbraw/zinc/40/47/78/1136404778.db2.gz PXIQEXUURWRYBQ-UHFFFAOYSA-N 2 1 327.447 3.565 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])c2cc1C ZINC000852758546 1136483897 /nfs/dbraw/zinc/48/38/97/1136483897.db2.gz BTTIPQKHSHBIEJ-AUUYWEPGSA-N 2 1 342.483 3.749 20 0 EHADMP c1ccc(N2CCCCC2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093192 1136508572 /nfs/dbraw/zinc/50/85/72/1136508572.db2.gz DQKUQDBRMSPGOG-HXUWFJFHSA-N 2 1 341.543 3.889 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815115026 1136550625 /nfs/dbraw/zinc/55/06/25/1136550625.db2.gz DNECGCBMZMAAGD-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815115026 1136550628 /nfs/dbraw/zinc/55/06/28/1136550628.db2.gz DNECGCBMZMAAGD-HNNXBMFYSA-N 2 1 346.906 3.738 20 0 EHADMP CC[C@](C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000817274372 1136793317 /nfs/dbraw/zinc/79/33/17/1136793317.db2.gz BJWDRXXPJOCVOS-QFIPXVFZSA-N 2 1 338.495 3.934 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000817584260 1136824726 /nfs/dbraw/zinc/82/47/26/1136824726.db2.gz VYXXQZMOKYAHSC-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000543708130 1136826812 /nfs/dbraw/zinc/82/68/12/1136826812.db2.gz BMOVOVUEXJFZEA-LMMKCTJWSA-N 2 1 346.515 3.607 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000543708130 1136826815 /nfs/dbraw/zinc/82/68/15/1136826815.db2.gz BMOVOVUEXJFZEA-LMMKCTJWSA-N 2 1 346.515 3.607 20 0 EHADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1C ZINC000817942140 1136849052 /nfs/dbraw/zinc/84/90/52/1136849052.db2.gz XWQBDEHDVZILOS-QGZVFWFLSA-N 2 1 327.472 3.538 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1C ZINC000817942136 1136849421 /nfs/dbraw/zinc/84/94/21/1136849421.db2.gz XWQBDEHDVZILOS-KRWDZBQOSA-N 2 1 327.472 3.538 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000818959982 1136891463 /nfs/dbraw/zinc/89/14/63/1136891463.db2.gz CLZUIIYYWFBBGB-FCEWJHQRSA-N 2 1 338.923 3.721 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000818987687 1136897480 /nfs/dbraw/zinc/89/74/80/1136897480.db2.gz HKKHRRWCYCUHFL-XLIONFOSSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000818987687 1136897483 /nfs/dbraw/zinc/89/74/83/1136897483.db2.gz HKKHRRWCYCUHFL-XLIONFOSSA-N 2 1 344.524 3.592 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819077958 1136911094 /nfs/dbraw/zinc/91/10/94/1136911094.db2.gz FNCJSFREVXYIIE-KKSFZXQISA-N 2 1 342.458 3.674 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)c2)CC1 ZINC000857853162 1136913333 /nfs/dbraw/zinc/91/33/33/1136913333.db2.gz MNZDUXYROGHZNN-HXUWFJFHSA-N 2 1 338.499 3.809 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)c2)CC1 ZINC000857853162 1136913337 /nfs/dbraw/zinc/91/33/37/1136913337.db2.gz MNZDUXYROGHZNN-HXUWFJFHSA-N 2 1 338.499 3.809 20 0 EHADMP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1Cl ZINC000819355749 1136933924 /nfs/dbraw/zinc/93/39/24/1136933924.db2.gz UKGJLOMXOGTZME-QGZVFWFLSA-N 2 1 343.298 3.633 20 0 EHADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858166789 1136946087 /nfs/dbraw/zinc/94/60/87/1136946087.db2.gz ALNFWFODNXQRTJ-CVEARBPZSA-N 2 1 341.540 3.532 20 0 EHADMP C[NH+]1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000820810051 1137005160 /nfs/dbraw/zinc/00/51/60/1137005160.db2.gz NUBXQHBCRMUZBS-FRIKZZABSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000820810051 1137005162 /nfs/dbraw/zinc/00/51/62/1137005162.db2.gz NUBXQHBCRMUZBS-FRIKZZABSA-N 2 1 341.543 3.504 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000823825096 1137114484 /nfs/dbraw/zinc/11/44/84/1137114484.db2.gz HERSTJKKZVQTGF-UFYCRDLUSA-N 2 1 346.902 3.729 20 0 EHADMP Clc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000823825096 1137114485 /nfs/dbraw/zinc/11/44/85/1137114485.db2.gz HERSTJKKZVQTGF-UFYCRDLUSA-N 2 1 346.902 3.729 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000823825515 1137114654 /nfs/dbraw/zinc/11/46/54/1137114654.db2.gz QULNELLEPDDIGV-VQTJNVASSA-N 2 1 336.479 3.615 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000823825515 1137114656 /nfs/dbraw/zinc/11/46/56/1137114656.db2.gz QULNELLEPDDIGV-VQTJNVASSA-N 2 1 336.479 3.615 20 0 EHADMP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850408 1137116294 /nfs/dbraw/zinc/11/62/94/1137116294.db2.gz BTDRAZDFAPGFIP-APWZRJJASA-N 2 1 342.483 3.597 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000823956724 1137119309 /nfs/dbraw/zinc/11/93/09/1137119309.db2.gz XEGQCNHFWMXKJO-HXUWFJFHSA-N 2 1 336.520 3.756 20 0 EHADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171085052 1137175003 /nfs/dbraw/zinc/17/50/03/1137175003.db2.gz DKJUKCVIQZHMEQ-CQSZACIVSA-N 2 1 336.266 3.606 20 0 EHADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171085052 1137175004 /nfs/dbraw/zinc/17/50/04/1137175004.db2.gz DKJUKCVIQZHMEQ-CQSZACIVSA-N 2 1 336.266 3.606 20 0 EHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000863544908 1137191403 /nfs/dbraw/zinc/19/14/03/1137191403.db2.gz DIUCMECGBGBBFQ-FZQMEJGWSA-N 2 1 330.516 3.670 20 0 EHADMP NC[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171110640 1137202816 /nfs/dbraw/zinc/20/28/16/1137202816.db2.gz DVWVPAGKTWVING-WOJBJXKFSA-N 2 1 326.871 3.583 20 0 EHADMP NC[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171110640 1137202818 /nfs/dbraw/zinc/20/28/18/1137202818.db2.gz DVWVPAGKTWVING-WOJBJXKFSA-N 2 1 326.871 3.583 20 0 EHADMP Cc1c(O)cccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001144117556 1137240104 /nfs/dbraw/zinc/24/01/04/1137240104.db2.gz GSDLKIWPBBFSGQ-JOCHJYFZSA-N 2 1 336.479 3.799 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001144117556 1137240105 /nfs/dbraw/zinc/24/01/05/1137240105.db2.gz GSDLKIWPBBFSGQ-JOCHJYFZSA-N 2 1 336.479 3.799 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001144117556 1137240106 /nfs/dbraw/zinc/24/01/06/1137240106.db2.gz GSDLKIWPBBFSGQ-JOCHJYFZSA-N 2 1 336.479 3.799 20 0 EHADMP Cc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(C)o1 ZINC000120309993 1137253886 /nfs/dbraw/zinc/25/38/86/1137253886.db2.gz MRVVVAZSRSUKQI-UHFFFAOYSA-N 2 1 331.460 3.503 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000865661629 1137302624 /nfs/dbraw/zinc/30/26/24/1137302624.db2.gz VOAHIHOLTDJNQK-FYZZASKESA-N 2 1 330.516 3.549 20 0 EHADMP c1[nH+]c(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)c2ccccn12 ZINC001144626107 1137318485 /nfs/dbraw/zinc/31/84/85/1137318485.db2.gz YQAMUCBMVQHURX-QFIPXVFZSA-N 2 1 346.478 3.575 20 0 EHADMP c1[nH+]c(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)c2ccccn12 ZINC001144626107 1137318487 /nfs/dbraw/zinc/31/84/87/1137318487.db2.gz YQAMUCBMVQHURX-QFIPXVFZSA-N 2 1 346.478 3.575 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878062 1137318473 /nfs/dbraw/zinc/31/84/73/1137318473.db2.gz YKELYLFCWQFDHE-NHCUHLMSSA-N 2 1 342.527 3.714 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000865878062 1137318475 /nfs/dbraw/zinc/31/84/75/1137318475.db2.gz YKELYLFCWQFDHE-NHCUHLMSSA-N 2 1 342.527 3.714 20 0 EHADMP C[C@]1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@]1(F)Cl ZINC000846037877 1137328712 /nfs/dbraw/zinc/32/87/12/1137328712.db2.gz MYNHUEPDLAFLGZ-RBUKOAKNSA-N 2 1 338.898 3.988 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866281242 1137342269 /nfs/dbraw/zinc/34/22/69/1137342269.db2.gz GDOXNEJAGFCPDG-NNMXDRDESA-N 2 1 337.511 3.903 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866281242 1137342271 /nfs/dbraw/zinc/34/22/71/1137342271.db2.gz GDOXNEJAGFCPDG-NNMXDRDESA-N 2 1 337.511 3.903 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846813253 1137369035 /nfs/dbraw/zinc/36/90/35/1137369035.db2.gz FAQQIWFGTVPCFX-FUHWJXTLSA-N 2 1 347.528 3.783 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846813253 1137369037 /nfs/dbraw/zinc/36/90/37/1137369037.db2.gz FAQQIWFGTVPCFX-FUHWJXTLSA-N 2 1 347.528 3.783 20 0 EHADMP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702312 1137374512 /nfs/dbraw/zinc/37/45/12/1137374512.db2.gz ALJSSZGYHIJZIF-FOIQADDNSA-N 2 1 342.487 3.803 20 0 EHADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702312 1137374514 /nfs/dbraw/zinc/37/45/14/1137374514.db2.gz ALJSSZGYHIJZIF-FOIQADDNSA-N 2 1 342.487 3.803 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000773080785 1137463794 /nfs/dbraw/zinc/46/37/94/1137463794.db2.gz GUVKCLGBMBJNTM-ZDUSSCGKSA-N 2 1 326.469 3.839 20 0 EHADMP OC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961326 1137475009 /nfs/dbraw/zinc/47/50/09/1137475009.db2.gz MCYAWQDSGORPHM-RTWAWAEBSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961326 1137475010 /nfs/dbraw/zinc/47/50/10/1137475010.db2.gz MCYAWQDSGORPHM-RTWAWAEBSA-N 2 1 342.527 3.668 20 0 EHADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000714961326 1137475011 /nfs/dbraw/zinc/47/50/11/1137475011.db2.gz MCYAWQDSGORPHM-RTWAWAEBSA-N 2 1 342.527 3.668 20 0 EHADMP COCC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635881 1137487836 /nfs/dbraw/zinc/48/78/36/1137487836.db2.gz HBMUEJNENYXICK-ZCNNSNEGSA-N 2 1 330.516 3.692 20 0 EHADMP CC(C)[NH+]1CCC(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716680296 1137488255 /nfs/dbraw/zinc/48/82/55/1137488255.db2.gz HVKYGBVLHMHLCD-BVSLBCMMSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716680296 1137488256 /nfs/dbraw/zinc/48/82/56/1137488256.db2.gz HVKYGBVLHMHLCD-BVSLBCMMSA-N 3 1 341.543 3.502 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716680296 1137488258 /nfs/dbraw/zinc/48/82/58/1137488258.db2.gz HVKYGBVLHMHLCD-BVSLBCMMSA-N 3 1 341.543 3.502 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716680087 1137488328 /nfs/dbraw/zinc/48/83/28/1137488328.db2.gz FRJKPILWMMPEFL-MUGJNUQGSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716712762 1137488447 /nfs/dbraw/zinc/48/84/47/1137488447.db2.gz NGHPZMYWMHVVSF-YRPNKDGESA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1nccs1 ZINC000716701604 1137488734 /nfs/dbraw/zinc/48/87/34/1137488734.db2.gz SCALWDOGDDXUMJ-KANFNMMFSA-N 2 1 341.524 3.889 20 0 EHADMP CCc1ccc2ccccc2c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001171491943 1137491539 /nfs/dbraw/zinc/49/15/39/1137491539.db2.gz ZKBVQBWLANNVJN-UHFFFAOYSA-N 2 1 338.495 3.699 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505687 1137495037 /nfs/dbraw/zinc/49/50/37/1137495037.db2.gz FYWCTZILVJDVPX-CQSZACIVSA-N 2 1 328.422 3.673 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505687 1137495039 /nfs/dbraw/zinc/49/50/39/1137495039.db2.gz FYWCTZILVJDVPX-CQSZACIVSA-N 2 1 328.422 3.673 20 0 EHADMP COc1cnccc1[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C1CC1 ZINC001171629144 1137499887 /nfs/dbraw/zinc/49/98/87/1137499887.db2.gz NQFDQCUJSJFBHL-GOSISDBHSA-N 2 1 331.504 3.782 20 0 EHADMP C[NH+]1C(C)(C)CC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1(C)C ZINC001171621872 1137501067 /nfs/dbraw/zinc/50/10/67/1137501067.db2.gz RBYGRUPCBQSLGO-UHFFFAOYSA-N 2 1 327.472 3.607 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1(C)C ZINC001171642691 1137505258 /nfs/dbraw/zinc/50/52/58/1137505258.db2.gz LPMQBSDIRBFZAI-HNNXBMFYSA-N 2 1 338.536 3.834 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)CC1(C)C ZINC001171643039 1137505267 /nfs/dbraw/zinc/50/52/67/1137505267.db2.gz QGMLOMCSZQWGAR-FQEVSTJZSA-N 2 1 341.543 3.553 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171743575 1137508024 /nfs/dbraw/zinc/50/80/24/1137508024.db2.gz CAFZABARCNPKSU-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171743575 1137508025 /nfs/dbraw/zinc/50/80/25/1137508025.db2.gz CAFZABARCNPKSU-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@H+](C)C[C@@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743575 1137508026 /nfs/dbraw/zinc/50/80/26/1137508026.db2.gz CAFZABARCNPKSU-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001171743575 1137508027 /nfs/dbraw/zinc/50/80/27/1137508027.db2.gz CAFZABARCNPKSU-WTIAFYNJSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742725 1137511537 /nfs/dbraw/zinc/51/15/37/1137511537.db2.gz YYJXQWFXFZOSQP-XODARUQUSA-N 2 1 341.543 3.774 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001171781167 1137512154 /nfs/dbraw/zinc/51/21/54/1137512154.db2.gz XPIGVKNMXUSWDI-FQEVSTJZSA-N 2 1 338.470 3.590 20 0 EHADMP C[N@H+]1CCC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971729 1137523804 /nfs/dbraw/zinc/52/38/04/1137523804.db2.gz JOQRKBLPEMAAOS-WOJBJXKFSA-N 3 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971729 1137523806 /nfs/dbraw/zinc/52/38/06/1137523806.db2.gz JOQRKBLPEMAAOS-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171971729 1137523808 /nfs/dbraw/zinc/52/38/08/1137523808.db2.gz JOQRKBLPEMAAOS-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@@H](N(C(N)=[NH2+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171973321 1137524308 /nfs/dbraw/zinc/52/43/08/1137524308.db2.gz XOGFSGZJCYPORV-IBGZPJMESA-N 2 1 336.483 3.830 20 0 EHADMP CC(C)N([C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C[NH3+] ZINC001171975816 1137525153 /nfs/dbraw/zinc/52/51/53/1137525153.db2.gz GEWGCKAEZUHLOW-IBGZPJMESA-N 2 1 331.548 3.877 20 0 EHADMP CC1(C)C[C@H]([NH+]2CC[C@@]3(CCCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979159 1137525737 /nfs/dbraw/zinc/52/57/37/1137525737.db2.gz CSCIOTCLAXCWNO-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979159 1137525739 /nfs/dbraw/zinc/52/57/39/1137525739.db2.gz CSCIOTCLAXCWNO-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CC[C@@]3(CCCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979159 1137525740 /nfs/dbraw/zinc/52/57/40/1137525740.db2.gz CSCIOTCLAXCWNO-CTNGQTDRSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981253 1137525910 /nfs/dbraw/zinc/52/59/10/1137525910.db2.gz BTYYDESVNQWANK-HXUWFJFHSA-N 2 1 341.543 3.646 20 0 EHADMP C[N@H+]1CCC[C@@](C)(N[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980909 1137526591 /nfs/dbraw/zinc/52/65/91/1137526591.db2.gz YEPGNTPDXLHMDZ-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980909 1137526593 /nfs/dbraw/zinc/52/65/93/1137526593.db2.gz YEPGNTPDXLHMDZ-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@](C)(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980909 1137526595 /nfs/dbraw/zinc/52/65/95/1137526595.db2.gz YEPGNTPDXLHMDZ-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980909 1137526596 /nfs/dbraw/zinc/52/65/96/1137526596.db2.gz YEPGNTPDXLHMDZ-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCC[C@@](C)([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980909 1137526598 /nfs/dbraw/zinc/52/65/98/1137526598.db2.gz YEPGNTPDXLHMDZ-TZIWHRDSSA-N 2 1 329.532 3.504 20 0 EHADMP CCN(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980355 1137526796 /nfs/dbraw/zinc/52/67/96/1137526796.db2.gz DUBHNQSQFTVESL-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP C[NH+](C)CCC(C)(C)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983968 1137527152 /nfs/dbraw/zinc/52/71/52/1137527152.db2.gz RBOXLJHNWRVNPO-IBGZPJMESA-N 2 1 331.548 3.750 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983495 1137527280 /nfs/dbraw/zinc/52/72/80/1137527280.db2.gz XUNCOOJIWYBCTF-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983495 1137527282 /nfs/dbraw/zinc/52/72/82/1137527282.db2.gz XUNCOOJIWYBCTF-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983495 1137527284 /nfs/dbraw/zinc/52/72/84/1137527284.db2.gz XUNCOOJIWYBCTF-UNMCSNQZSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988532 1137528251 /nfs/dbraw/zinc/52/82/51/1137528251.db2.gz SWVMXZGYJSSYOV-PMACEKPBSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988532 1137528253 /nfs/dbraw/zinc/52/82/53/1137528253.db2.gz SWVMXZGYJSSYOV-PMACEKPBSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988532 1137528255 /nfs/dbraw/zinc/52/82/55/1137528255.db2.gz SWVMXZGYJSSYOV-PMACEKPBSA-N 2 1 330.516 3.786 20 0 EHADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988532 1137528256 /nfs/dbraw/zinc/52/82/56/1137528256.db2.gz SWVMXZGYJSSYOV-PMACEKPBSA-N 2 1 330.516 3.786 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073823 1137530213 /nfs/dbraw/zinc/53/02/13/1137530213.db2.gz CQVIEANVHIMGGX-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073823 1137530214 /nfs/dbraw/zinc/53/02/14/1137530214.db2.gz CQVIEANVHIMGGX-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073823 1137530215 /nfs/dbraw/zinc/53/02/15/1137530215.db2.gz CQVIEANVHIMGGX-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@]4(CCO4)C2)C3)cc1 ZINC001172073823 1137530216 /nfs/dbraw/zinc/53/02/16/1137530216.db2.gz CQVIEANVHIMGGX-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081023 1137531024 /nfs/dbraw/zinc/53/10/24/1137531024.db2.gz ZFLLBJZZNJRJCR-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(Br)cc1)C2 ZINC001172100736 1137533191 /nfs/dbraw/zinc/53/31/91/1137533191.db2.gz SFHUMLPKFUKPCL-BJWYYQGGSA-N 2 1 337.305 3.597 20 0 EHADMP COC[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067769 1137533996 /nfs/dbraw/zinc/53/39/96/1137533996.db2.gz FOHHJYUWMOJVBA-CGXNFDGLSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067769 1137533997 /nfs/dbraw/zinc/53/39/97/1137533997.db2.gz FOHHJYUWMOJVBA-CGXNFDGLSA-N 2 1 328.500 3.540 20 0 EHADMP COC[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067769 1137533998 /nfs/dbraw/zinc/53/39/98/1137533998.db2.gz FOHHJYUWMOJVBA-CGXNFDGLSA-N 2 1 328.500 3.540 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101950 1137536517 /nfs/dbraw/zinc/53/65/17/1137536517.db2.gz IKUXZLZCGFUVTP-TVFCKZIOSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001172101950 1137536518 /nfs/dbraw/zinc/53/65/18/1137536518.db2.gz IKUXZLZCGFUVTP-TVFCKZIOSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccsc1Br)C2 ZINC001172105772 1137536643 /nfs/dbraw/zinc/53/66/43/1137536643.db2.gz KIWGUBPNHQXETL-CLLJXQQHSA-N 2 1 329.307 3.616 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccsc1Br)C2 ZINC001172105772 1137536644 /nfs/dbraw/zinc/53/66/44/1137536644.db2.gz KIWGUBPNHQXETL-CLLJXQQHSA-N 2 1 329.307 3.616 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccsc1Br)C2 ZINC001172105772 1137536645 /nfs/dbraw/zinc/53/66/45/1137536645.db2.gz KIWGUBPNHQXETL-CLLJXQQHSA-N 2 1 329.307 3.616 20 0 EHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1F ZINC001206156977 1137536793 /nfs/dbraw/zinc/53/67/93/1137536793.db2.gz UXWKVGJRRVWUFB-VQTJNVASSA-N 2 1 328.431 3.527 20 0 EHADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106489 1137536870 /nfs/dbraw/zinc/53/68/70/1137536870.db2.gz PFOOAALEAFORRJ-FVQHAEBGSA-N 2 1 341.499 3.647 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001172109169 1137537218 /nfs/dbraw/zinc/53/72/18/1137537218.db2.gz CBQUGTQZFNODDZ-BWTSREIZSA-N 2 1 348.918 3.639 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001172109169 1137537220 /nfs/dbraw/zinc/53/72/20/1137537220.db2.gz CBQUGTQZFNODDZ-BWTSREIZSA-N 2 1 348.918 3.639 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001172111485 1137537636 /nfs/dbraw/zinc/53/76/36/1137537636.db2.gz UVLBMRDDVDTJGK-ZJOBFFGXSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001172111485 1137537637 /nfs/dbraw/zinc/53/76/37/1137537637.db2.gz UVLBMRDDVDTJGK-ZJOBFFGXSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001172113700 1137537678 /nfs/dbraw/zinc/53/76/78/1137537678.db2.gz JDBQBVBDTZWBIY-LWYYNNOASA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001172113700 1137537680 /nfs/dbraw/zinc/53/76/80/1137537680.db2.gz JDBQBVBDTZWBIY-LWYYNNOASA-N 2 1 347.934 3.519 20 0 EHADMP Cc1ccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172121164 1137538046 /nfs/dbraw/zinc/53/80/46/1137538046.db2.gz IMBRVLOZFPQTRB-PXCRPINLSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172121164 1137538048 /nfs/dbraw/zinc/53/80/48/1137538048.db2.gz IMBRVLOZFPQTRB-PXCRPINLSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121164 1137538050 /nfs/dbraw/zinc/53/80/50/1137538050.db2.gz IMBRVLOZFPQTRB-PXCRPINLSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172121164 1137538052 /nfs/dbraw/zinc/53/80/52/1137538052.db2.gz IMBRVLOZFPQTRB-PXCRPINLSA-N 2 1 328.500 3.854 20 0 EHADMP COc1ccccc1CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119410 1137538168 /nfs/dbraw/zinc/53/81/68/1137538168.db2.gz VCKHDOPWTMDCHK-WKCHPHFGSA-N 2 1 342.527 3.965 20 0 EHADMP COc1ccccc1CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119410 1137538169 /nfs/dbraw/zinc/53/81/69/1137538169.db2.gz VCKHDOPWTMDCHK-WKCHPHFGSA-N 2 1 342.527 3.965 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172220842 1137541961 /nfs/dbraw/zinc/54/19/61/1137541961.db2.gz KZGBBFJLEABHGC-GSWHEVMTSA-N 2 1 332.463 3.608 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cc(C)cc(C)c2)CC1 ZINC001172254357 1137544920 /nfs/dbraw/zinc/54/49/20/1137544920.db2.gz KYUOXSRKOQLHSH-NRFANRHFSA-N 2 1 330.516 3.941 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2cc(C)cc(C)c2)CC1 ZINC001172254357 1137544921 /nfs/dbraw/zinc/54/49/21/1137544921.db2.gz KYUOXSRKOQLHSH-NRFANRHFSA-N 2 1 330.516 3.941 20 0 EHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000872031985 1137566546 /nfs/dbraw/zinc/56/65/46/1137566546.db2.gz ORNQDWZYKHODNU-NJYVYQBISA-N 2 1 344.543 3.734 20 0 EHADMP c1ccc2c(c1)CCCC[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000872033826 1137566637 /nfs/dbraw/zinc/56/66/37/1137566637.db2.gz GMVCNUJENHYEMN-FGZHOGPDSA-N 2 1 342.527 3.557 20 0 EHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCOC1 ZINC000872033978 1137566672 /nfs/dbraw/zinc/56/66/72/1137566672.db2.gz DXMBEYVECDFRBS-FAEIBLRNSA-N 2 1 342.527 3.977 20 0 EHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC000872033967 1137566675 /nfs/dbraw/zinc/56/66/75/1137566675.db2.gz DXMBEYVECDFRBS-BLNMYQONSA-N 2 1 342.527 3.977 20 0 EHADMP CC(C)OC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000872116716 1137572316 /nfs/dbraw/zinc/57/23/16/1137572316.db2.gz NIMRBYVDRPJERB-UHFFFAOYSA-N 2 1 330.516 3.631 20 0 EHADMP Fc1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c[nH]c21 ZINC001137057688 1137575552 /nfs/dbraw/zinc/57/55/52/1137575552.db2.gz MBJQNGKUFQZEOI-RTBURBONSA-N 2 1 349.453 3.871 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877073429 1137669551 /nfs/dbraw/zinc/66/95/51/1137669551.db2.gz KDRRNROTDDJFON-PSBKLILYSA-N 2 1 341.543 3.817 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877073429 1137669552 /nfs/dbraw/zinc/66/95/52/1137669552.db2.gz KDRRNROTDDJFON-PSBKLILYSA-N 2 1 341.543 3.817 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638433 1137684000 /nfs/dbraw/zinc/68/40/00/1137684000.db2.gz GSNKLXMFQILSOL-DOTOQJQBSA-N 2 1 334.554 3.750 20 0 EHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638433 1137684001 /nfs/dbraw/zinc/68/40/01/1137684001.db2.gz GSNKLXMFQILSOL-DOTOQJQBSA-N 2 1 334.554 3.750 20 0 EHADMP CC(C)C[N@H+](Cc1cnc(Cl)c(F)c1)CC1CC[NH+](C)CC1 ZINC000877767600 1137688959 /nfs/dbraw/zinc/68/89/59/1137688959.db2.gz PDSWPBPPTUOTKG-UHFFFAOYSA-N 2 1 327.875 3.674 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878048630 1137700630 /nfs/dbraw/zinc/70/06/30/1137700630.db2.gz TXBUUZSGBNVZAB-NHCUHLMSSA-N 2 1 330.516 3.959 20 0 EHADMP O[C@@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000878252563 1137708715 /nfs/dbraw/zinc/70/87/15/1137708715.db2.gz ORLOXEANSJUISC-WFASDCNBSA-N 2 1 340.254 3.630 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)O2)cc1 ZINC000878286896 1137710017 /nfs/dbraw/zinc/71/00/17/1137710017.db2.gz UXKYDZRDDJGJAY-PDGJWGCVSA-N 2 1 340.511 3.855 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652910 1137723943 /nfs/dbraw/zinc/72/39/43/1137723943.db2.gz VVWRENFBFRJENS-HKBOAZHASA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652910 1137723944 /nfs/dbraw/zinc/72/39/44/1137723944.db2.gz VVWRENFBFRJENS-HKBOAZHASA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652910 1137723945 /nfs/dbraw/zinc/72/39/45/1137723945.db2.gz VVWRENFBFRJENS-HKBOAZHASA-N 2 1 328.500 3.715 20 0 EHADMP COC[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134212 1137791118 /nfs/dbraw/zinc/79/11/18/1137791118.db2.gz CMDJOCKRUZURCE-LAUBAEHRSA-N 2 1 341.499 3.996 20 0 EHADMP COC[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134212 1137791119 /nfs/dbraw/zinc/79/11/19/1137791119.db2.gz CMDJOCKRUZURCE-LAUBAEHRSA-N 2 1 341.499 3.996 20 0 EHADMP O=c1oc2ccc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)cc2o1 ZINC000882941509 1137839113 /nfs/dbraw/zinc/83/91/13/1137839113.db2.gz RZMVMRBMKHBONP-UHFFFAOYSA-N 2 1 344.455 3.520 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)cc1 ZINC000130695341 1137841009 /nfs/dbraw/zinc/84/10/09/1137841009.db2.gz AHXKJXPLYPBCDT-KKSFZXQISA-N 2 1 335.451 3.873 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(Cl)c1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883083841 1137844071 /nfs/dbraw/zinc/84/40/71/1137844071.db2.gz AGACWIBUYCZLPE-CRAIPNDOSA-N 2 1 343.902 3.922 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCOC1 ZINC000883352579 1137856941 /nfs/dbraw/zinc/85/69/41/1137856941.db2.gz DLVKAEIFXJUTSM-HBMCJLEFSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCOC1 ZINC000883352579 1137856942 /nfs/dbraw/zinc/85/69/42/1137856942.db2.gz DLVKAEIFXJUTSM-HBMCJLEFSA-N 2 1 342.527 3.978 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC4(CCC4)O2)C3)cc1 ZINC000883357099 1137857399 /nfs/dbraw/zinc/85/73/99/1137857399.db2.gz CSGBZDFEUYWBKJ-WOZUAGRISA-N 2 1 340.511 3.873 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cc3)CC2)oc1C ZINC000112547295 1137908542 /nfs/dbraw/zinc/90/85/42/1137908542.db2.gz JXSLLFZGAXWNTF-OAHLLOKOSA-N 2 1 345.462 3.993 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000113335778 1137912697 /nfs/dbraw/zinc/91/26/97/1137912697.db2.gz ANOVGCYBXPIFEG-NSHDSACASA-N 2 1 329.341 3.775 20 0 EHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202668423 1137915176 /nfs/dbraw/zinc/91/51/76/1137915176.db2.gz LEQAIKIOSQJIIO-UHFFFAOYSA-N 2 1 334.479 3.539 20 0 EHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202668423 1137915177 /nfs/dbraw/zinc/91/51/77/1137915177.db2.gz LEQAIKIOSQJIIO-UHFFFAOYSA-N 2 1 334.479 3.539 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000118983135 1137937065 /nfs/dbraw/zinc/93/70/65/1137937065.db2.gz WDWMAMOLAMVWNG-BWUHRYBWSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000118983135 1137937066 /nfs/dbraw/zinc/93/70/66/1137937066.db2.gz WDWMAMOLAMVWNG-BWUHRYBWSA-N 2 1 342.527 3.833 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121209128 1137955909 /nfs/dbraw/zinc/95/59/09/1137955909.db2.gz ZSFTYQPJRZHADO-ZCNNSNEGSA-N 2 1 328.500 3.574 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2cccc(F)c2)[C@H](C)C1 ZINC000885988404 1138030512 /nfs/dbraw/zinc/03/05/12/1138030512.db2.gz IKBNDIWZODCUAC-REAYAIGQSA-N 2 1 334.479 3.566 20 0 EHADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000348367267 1138052752 /nfs/dbraw/zinc/05/27/52/1138052752.db2.gz CSSKCQIFMNFUTI-AQNXPRMDSA-N 2 1 330.516 3.558 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Cl)c(Cl)c2)s1 ZINC000886297754 1138065258 /nfs/dbraw/zinc/06/52/58/1138065258.db2.gz ZJLNGCBXJFMUBP-UHFFFAOYSA-N 2 1 344.311 3.844 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886622366 1138103381 /nfs/dbraw/zinc/10/33/81/1138103381.db2.gz QRNBVBOSGBXUMU-QGLKVJOYSA-N 2 1 328.500 3.587 20 0 EHADMP COC1([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886626465 1138103680 /nfs/dbraw/zinc/10/36/80/1138103680.db2.gz BXJSILMZDGPPQO-MDNKFWRPSA-N 2 1 328.500 3.587 20 0 EHADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000886818589 1138148698 /nfs/dbraw/zinc/14/86/98/1138148698.db2.gz HGPULTILXJWQDH-SFTDATJTSA-N 2 1 328.500 3.673 20 0 EHADMP Cc1ncc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000092821355 1138232168 /nfs/dbraw/zinc/23/21/68/1138232168.db2.gz SGTQDFZXDWGPRH-UHFFFAOYSA-N 2 1 330.501 3.585 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1nc2c(s1)CCCC2 ZINC000093371660 1138236951 /nfs/dbraw/zinc/23/69/51/1138236951.db2.gz FXAWAZLSFLQFRL-AWEZNQCLSA-N 2 1 329.513 3.934 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000091589270 1138420782 /nfs/dbraw/zinc/42/07/82/1138420782.db2.gz RUHJQSFFMARNJB-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000091589270 1138420785 /nfs/dbraw/zinc/42/07/85/1138420785.db2.gz RUHJQSFFMARNJB-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589270 1138420787 /nfs/dbraw/zinc/42/07/87/1138420787.db2.gz RUHJQSFFMARNJB-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589270 1138420788 /nfs/dbraw/zinc/42/07/88/1138420788.db2.gz RUHJQSFFMARNJB-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP COc1ccc(-c2nc(CN(C)CCCn3ccnc3)cs2)cc1 ZINC000130401129 1138452890 /nfs/dbraw/zinc/45/28/90/1138452890.db2.gz ABHCHEAIHDHQQL-UHFFFAOYSA-N 2 1 342.468 3.537 20 0 EHADMP CCCCc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000337078917 1138462236 /nfs/dbraw/zinc/46/22/36/1138462236.db2.gz TZOFGGNEHPWKPJ-AEFFLSMTSA-N 2 1 329.513 3.660 20 0 EHADMP CCCCc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000337078917 1138462238 /nfs/dbraw/zinc/46/22/38/1138462238.db2.gz TZOFGGNEHPWKPJ-AEFFLSMTSA-N 2 1 329.513 3.660 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCC(F)(F)C3)sc2C1 ZINC000337254604 1138510092 /nfs/dbraw/zinc/51/00/92/1138510092.db2.gz MHUCAWKFVOSBIA-ZDUSSCGKSA-N 2 1 343.487 3.825 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCC(F)(F)C3)sc2C1 ZINC000337254604 1138510096 /nfs/dbraw/zinc/51/00/96/1138510096.db2.gz MHUCAWKFVOSBIA-ZDUSSCGKSA-N 2 1 343.487 3.825 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000337568736 1138608203 /nfs/dbraw/zinc/60/82/03/1138608203.db2.gz ZORDPIGMPULEQP-JCURWCKSSA-N 2 1 335.398 3.992 20 0 EHADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000133172634 1138624081 /nfs/dbraw/zinc/62/40/81/1138624081.db2.gz CMVRMKLXNFDZNP-QUCCMNQESA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000133172634 1138624083 /nfs/dbraw/zinc/62/40/83/1138624083.db2.gz CMVRMKLXNFDZNP-QUCCMNQESA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000133172634 1138624084 /nfs/dbraw/zinc/62/40/84/1138624084.db2.gz CMVRMKLXNFDZNP-QUCCMNQESA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000133172634 1138624087 /nfs/dbraw/zinc/62/40/87/1138624087.db2.gz CMVRMKLXNFDZNP-QUCCMNQESA-N 2 1 346.515 3.705 20 0 EHADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000133172634 1138624089 /nfs/dbraw/zinc/62/40/89/1138624089.db2.gz CMVRMKLXNFDZNP-QUCCMNQESA-N 2 1 346.515 3.705 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000337997081 1138719384 /nfs/dbraw/zinc/71/93/84/1138719384.db2.gz KGROHJDLOFMPLE-HNNXBMFYSA-N 2 1 335.879 3.991 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)oc1C ZINC000337999954 1138719839 /nfs/dbraw/zinc/71/98/39/1138719839.db2.gz PKIJNGUGOWNQFC-MOPGFXCFSA-N 2 1 331.504 3.672 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1 ZINC000153495537 1139138950 /nfs/dbraw/zinc/13/89/50/1139138950.db2.gz VKXBPIDRIHNYOO-SJORKVTESA-N 2 1 342.458 3.897 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1 ZINC000153495537 1139138958 /nfs/dbraw/zinc/13/89/58/1139138958.db2.gz VKXBPIDRIHNYOO-SJORKVTESA-N 2 1 342.458 3.897 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000175013797 1139457675 /nfs/dbraw/zinc/45/76/75/1139457675.db2.gz HMFSHOCIXCICMH-UXHICEINSA-N 2 1 339.483 3.623 20 0 EHADMP C/C(=C\c1ccccc1)C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000178615390 1139707398 /nfs/dbraw/zinc/70/73/98/1139707398.db2.gz GLFBJROVFSYRDI-DTQAZKPQSA-N 2 1 336.483 3.755 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3F)CC2)nc(C)[nH+]1 ZINC000178695323 1139712007 /nfs/dbraw/zinc/71/20/07/1139712007.db2.gz PRLPBYQNOOPLIL-AWEZNQCLSA-N 2 1 328.435 3.552 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000179697480 1139776009 /nfs/dbraw/zinc/77/60/09/1139776009.db2.gz KSVSZYPVJFFTCR-YLJYHZDGSA-N 2 1 339.483 3.796 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1F ZINC000180010542 1139800797 /nfs/dbraw/zinc/80/07/97/1139800797.db2.gz KQYIJUQPZJZXBW-OAQYLSRUSA-N 2 1 342.458 3.899 20 0 EHADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC[C@H]1O ZINC000180155389 1139813177 /nfs/dbraw/zinc/81/31/77/1139813177.db2.gz NYNZXPZNPWWMNY-RFQIGKHKSA-N 2 1 342.527 3.713 20 0 EHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000181952027 1139941975 /nfs/dbraw/zinc/94/19/75/1139941975.db2.gz JSKAVYZWUASZOO-SJORKVTESA-N 2 1 331.504 3.808 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000182261399 1139961624 /nfs/dbraw/zinc/96/16/24/1139961624.db2.gz MOUKQMXFHFSGNP-VXKWHMMOSA-N 2 1 338.495 3.884 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710602 1140165950 /nfs/dbraw/zinc/16/59/50/1140165950.db2.gz ILRRMYCMXDMONU-LSDHHAIUSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710602 1140165952 /nfs/dbraw/zinc/16/59/52/1140165952.db2.gz ILRRMYCMXDMONU-LSDHHAIUSA-N 2 1 349.906 3.521 20 0 EHADMP C[C@H]([NH2+]CCCOCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744114 1140167642 /nfs/dbraw/zinc/16/76/42/1140167642.db2.gz HRGNDFMYODXMCA-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP CC1(C)OCc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000186347827 1140199406 /nfs/dbraw/zinc/19/94/06/1140199406.db2.gz WULBXSUMBFMPTQ-IBGZPJMESA-N 2 1 344.499 3.782 20 0 EHADMP CC1(C)OCc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000186347827 1140199408 /nfs/dbraw/zinc/19/94/08/1140199408.db2.gz WULBXSUMBFMPTQ-IBGZPJMESA-N 2 1 344.499 3.782 20 0 EHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000190955762 1140428214 /nfs/dbraw/zinc/42/82/14/1140428214.db2.gz YHFCWTMLOYZRGF-UHFFFAOYSA-N 2 1 334.467 3.614 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000190955762 1140428219 /nfs/dbraw/zinc/42/82/19/1140428219.db2.gz YHFCWTMLOYZRGF-UHFFFAOYSA-N 2 1 334.467 3.614 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000190955856 1140428520 /nfs/dbraw/zinc/42/85/20/1140428520.db2.gz WBVGQQVWNRLSQN-UHFFFAOYSA-N 2 1 340.515 3.668 20 0 EHADMP Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000191458040 1140465606 /nfs/dbraw/zinc/46/56/06/1140465606.db2.gz BUJWXPBTMYDTBV-OAQYLSRUSA-N 2 1 329.532 3.548 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000268756725 1140985070 /nfs/dbraw/zinc/98/50/70/1140985070.db2.gz LYIHMCMKTMZWKX-JLTOFOAXSA-N 2 1 339.414 3.704 20 0 EHADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000268796722 1140993539 /nfs/dbraw/zinc/99/35/39/1140993539.db2.gz GGMHOBNWUDUMGI-NRFANRHFSA-N 2 1 347.547 3.544 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268816235 1140998266 /nfs/dbraw/zinc/99/82/66/1140998266.db2.gz NSEDMSYYXXVULU-AWEZNQCLSA-N 2 1 340.496 3.898 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268934924 1141029708 /nfs/dbraw/zinc/02/97/08/1141029708.db2.gz RJTSPMWJJPGWNW-RCZSKKKRSA-N 2 1 338.495 3.671 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000268953636 1141032573 /nfs/dbraw/zinc/03/25/73/1141032573.db2.gz CSUHWFXOAMRVSI-HRAATJIYSA-N 2 1 335.451 3.955 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000268953641 1141033083 /nfs/dbraw/zinc/03/30/83/1141033083.db2.gz CSUHWFXOAMRVSI-IIBYNOLFSA-N 2 1 335.451 3.955 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413419 1141219961 /nfs/dbraw/zinc/21/99/61/1141219961.db2.gz DVOOMCNKFFKERY-RTBURBONSA-N 2 1 336.907 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000271442586 1141367740 /nfs/dbraw/zinc/36/77/40/1141367740.db2.gz DPAHNPAYDSELKP-SJLPKXTDSA-N 2 1 329.513 3.718 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000271442586 1141367745 /nfs/dbraw/zinc/36/77/45/1141367745.db2.gz DPAHNPAYDSELKP-SJLPKXTDSA-N 2 1 329.513 3.718 20 0 EHADMP C(=C\c1ccncc1)\C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640048 1141560124 /nfs/dbraw/zinc/56/01/24/1141560124.db2.gz GEVBMCCCPSENBU-FDQBOKQBSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C\c1ccncc1)\C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000348640048 1141560128 /nfs/dbraw/zinc/56/01/28/1141560128.db2.gz GEVBMCCCPSENBU-FDQBOKQBSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C\c1ccncc1)\C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348640048 1141560134 /nfs/dbraw/zinc/56/01/34/1141560134.db2.gz GEVBMCCCPSENBU-FDQBOKQBSA-N 2 1 333.479 3.693 20 0 EHADMP C(=C\c1ccncc1)\C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348640048 1141560135 /nfs/dbraw/zinc/56/01/35/1141560135.db2.gz GEVBMCCCPSENBU-FDQBOKQBSA-N 2 1 333.479 3.693 20 0 EHADMP Cc1ccc(CCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348646246 1141561240 /nfs/dbraw/zinc/56/12/40/1141561240.db2.gz PDMCZVYQZLGLGZ-QHCPKHFHSA-N 2 1 349.522 3.921 20 0 EHADMP Cc1ccc(CCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646246 1141561242 /nfs/dbraw/zinc/56/12/42/1141561242.db2.gz PDMCZVYQZLGLGZ-QHCPKHFHSA-N 2 1 349.522 3.921 20 0 EHADMP Cc1ccc(CCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646246 1141561243 /nfs/dbraw/zinc/56/12/43/1141561243.db2.gz PDMCZVYQZLGLGZ-QHCPKHFHSA-N 2 1 349.522 3.921 20 0 EHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869596 1141600181 /nfs/dbraw/zinc/60/01/81/1141600181.db2.gz NSRGYJGKAGKJSN-JWTNVVGKSA-N 2 1 344.890 3.787 20 0 EHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869596 1141600182 /nfs/dbraw/zinc/60/01/82/1141600182.db2.gz NSRGYJGKAGKJSN-JWTNVVGKSA-N 2 1 344.890 3.787 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869596 1141600183 /nfs/dbraw/zinc/60/01/83/1141600183.db2.gz NSRGYJGKAGKJSN-JWTNVVGKSA-N 2 1 344.890 3.787 20 0 EHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869596 1141600184 /nfs/dbraw/zinc/60/01/84/1141600184.db2.gz NSRGYJGKAGKJSN-JWTNVVGKSA-N 2 1 344.890 3.787 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000037786529 213167268 /nfs/dbraw/zinc/16/72/68/213167268.db2.gz ZNPQDCCFVPZIKU-UHFFFAOYSA-N 2 1 331.323 3.863 20 0 EHADMP c1oc2ccccc2c1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328639841 258024146 /nfs/dbraw/zinc/02/41/46/258024146.db2.gz PRGXMRXNXBCXNS-LJQANCHMSA-N 2 1 335.451 3.972 20 0 EHADMP c1oc2ccccc2c1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328639841 258024148 /nfs/dbraw/zinc/02/41/48/258024148.db2.gz PRGXMRXNXBCXNS-LJQANCHMSA-N 2 1 335.451 3.972 20 0 EHADMP Brc1ccc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000037141051 518211221 /nfs/dbraw/zinc/21/12/21/518211221.db2.gz MXKBEFMKFHGICZ-UHFFFAOYSA-N 2 1 349.316 3.912 20 0 EHADMP CC(C)n1ccc2c1nc[nH+]c2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047471 721974599 /nfs/dbraw/zinc/97/45/99/721974599.db2.gz HMTZOAWZSWVAQB-KRWDZBQOSA-N 2 1 341.503 3.857 20 0 EHADMP Cc1c[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(C)c1 ZINC001164952098 722017563 /nfs/dbraw/zinc/01/75/63/722017563.db2.gz HENATWMMBYUYLS-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP Cc1c[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(C)c1 ZINC001164952098 722017564 /nfs/dbraw/zinc/01/75/64/722017564.db2.gz HENATWMMBYUYLS-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cncc(OC)c2)CC1)CC(C)C ZINC000343721701 1032071555 /nfs/dbraw/zinc/07/15/55/1032071555.db2.gz WIDSHLOIHXRBLZ-UHFFFAOYSA-N 2 1 333.520 3.670 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424162 1014394070 /nfs/dbraw/zinc/39/40/70/1014394070.db2.gz YPQMQEFAGRXTTI-DOTOQJQBSA-N 2 1 330.451 3.536 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424162 1014394084 /nfs/dbraw/zinc/39/40/84/1014394084.db2.gz YPQMQEFAGRXTTI-DOTOQJQBSA-N 2 1 330.451 3.536 20 0 EHADMP CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000339431570 1014421700 /nfs/dbraw/zinc/42/17/00/1014421700.db2.gz CVTSEOKMDXYMNK-HXUWFJFHSA-N 2 1 339.483 3.597 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc3ccccc3s2)s1 ZINC000339478792 1014553121 /nfs/dbraw/zinc/55/31/21/1014553121.db2.gz OFBCXNUVOBOZGU-UHFFFAOYSA-N 2 1 331.510 3.752 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000182543204 1032107969 /nfs/dbraw/zinc/10/79/69/1032107969.db2.gz RMZBYIYTWPGKRD-INIZCTEOSA-N 2 1 334.504 3.737 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cc1F ZINC000182585391 1032113017 /nfs/dbraw/zinc/11/30/17/1032113017.db2.gz KPMDINOIGSBHON-ZDUSSCGKSA-N 2 1 347.434 3.530 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047113 1032119915 /nfs/dbraw/zinc/11/99/15/1032119915.db2.gz MZRZTZMMAOKTFE-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047113 1032119922 /nfs/dbraw/zinc/11/99/22/1032119922.db2.gz MZRZTZMMAOKTFE-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047113 1032119929 /nfs/dbraw/zinc/11/99/29/1032119929.db2.gz MZRZTZMMAOKTFE-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000449047113 1032119934 /nfs/dbraw/zinc/11/99/34/1032119934.db2.gz MZRZTZMMAOKTFE-KBXCAEBGSA-N 2 1 345.487 3.865 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000182734911 1032126210 /nfs/dbraw/zinc/12/62/10/1032126210.db2.gz MOECSCXFUBNLNJ-UHFFFAOYSA-N 2 1 346.475 3.664 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000471227214 1015824228 /nfs/dbraw/zinc/82/42/28/1015824228.db2.gz PEPOUZNQRVVWAM-WMLDXEAASA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000471227214 1015824233 /nfs/dbraw/zinc/82/42/33/1015824233.db2.gz PEPOUZNQRVVWAM-WMLDXEAASA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000471227214 1015824239 /nfs/dbraw/zinc/82/42/39/1015824239.db2.gz PEPOUZNQRVVWAM-WMLDXEAASA-N 2 1 344.421 3.746 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)CC[N@H+]1C ZINC000155014104 1016055155 /nfs/dbraw/zinc/05/51/55/1016055155.db2.gz MFEOLFREPVVWCA-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459451721 1032140854 /nfs/dbraw/zinc/14/08/54/1032140854.db2.gz QQLUPZUNACJNIR-SFTDATJTSA-N 2 1 328.500 3.901 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587174 1016383835 /nfs/dbraw/zinc/38/38/35/1016383835.db2.gz QYWHIYZTISQFJF-GQIGUUNPSA-N 2 1 349.950 3.623 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379621873 1032182189 /nfs/dbraw/zinc/18/21/89/1032182189.db2.gz FZWJPVGNPHAEEJ-NEWSRXKRSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379621873 1032182195 /nfs/dbraw/zinc/18/21/95/1032182195.db2.gz FZWJPVGNPHAEEJ-NEWSRXKRSA-N 2 1 330.516 3.975 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379623347 1032181863 /nfs/dbraw/zinc/18/18/63/1032181863.db2.gz IEQXKVUPTKTIJR-RXVVDRJESA-N 2 1 329.532 3.504 20 0 EHADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000449109299 1032187773 /nfs/dbraw/zinc/18/77/73/1032187773.db2.gz XSAGOYRDRPUTOK-ADKAHSJRSA-N 2 1 336.545 3.755 20 0 EHADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000449109299 1032187780 /nfs/dbraw/zinc/18/77/80/1032187780.db2.gz XSAGOYRDRPUTOK-ADKAHSJRSA-N 2 1 336.545 3.755 20 0 EHADMP C[C@H](C[NH2+]Cc1cnc(CCc2ccccc2)s1)C[NH+]1CCCC1 ZINC000449094257 1032201651 /nfs/dbraw/zinc/20/16/51/1032201651.db2.gz YMCVTCMXVNEKEL-QGZVFWFLSA-N 2 1 343.540 3.750 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](OC(C)C)C3(C)C)CC2)[nH+]1 ZINC000185227109 1032369087 /nfs/dbraw/zinc/36/90/87/1032369087.db2.gz CKABOKAPFFUJJS-QZTJIDSGSA-N 2 1 331.504 3.541 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000536883424 1032388994 /nfs/dbraw/zinc/38/89/94/1032388994.db2.gz WKKBJWTXIOUFQR-JTDSTZFVSA-N 2 1 346.515 3.835 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000536883424 1032389002 /nfs/dbraw/zinc/38/90/02/1032389002.db2.gz WKKBJWTXIOUFQR-JTDSTZFVSA-N 2 1 346.515 3.835 20 0 EHADMP CCn1cccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1=O ZINC000449289391 1032431382 /nfs/dbraw/zinc/43/13/82/1032431382.db2.gz AHHLDXZGUADAQK-UHFFFAOYSA-N 2 1 347.547 3.637 20 0 EHADMP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000459729880 1032435440 /nfs/dbraw/zinc/43/54/40/1032435440.db2.gz JLANGCJEZFLORN-AWEZNQCLSA-N 2 1 342.430 3.508 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459731506 1032436972 /nfs/dbraw/zinc/43/69/72/1032436972.db2.gz FEUDLTCRFRHCFB-MTFMMBMASA-N 2 1 348.556 3.646 20 0 EHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000537000016 1032477362 /nfs/dbraw/zinc/47/73/62/1032477362.db2.gz JNKRQVYAHVKYAB-OALUTQOASA-N 2 1 338.923 3.864 20 0 EHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798363 1032479876 /nfs/dbraw/zinc/47/98/76/1032479876.db2.gz XLPYMNBZFBCVBM-GJZGRUSLSA-N 2 1 328.422 3.958 20 0 EHADMP CC[C@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000449402893 1032526366 /nfs/dbraw/zinc/52/63/66/1032526366.db2.gz NRHNDXGXEJKTMZ-XCDJFROHSA-N 2 1 330.516 3.833 20 0 EHADMP Brc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000449454148 1032571497 /nfs/dbraw/zinc/57/14/97/1032571497.db2.gz JOGYMXIGNBVDCZ-YWOMLXPBSA-N 2 1 335.289 3.679 20 0 EHADMP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000537304832 1032608990 /nfs/dbraw/zinc/60/89/90/1032608990.db2.gz WIBNBPFZVXOOBU-SHCNBLLESA-N 2 1 328.500 3.814 20 0 EHADMP c1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655685874 1017387101 /nfs/dbraw/zinc/38/71/01/1017387101.db2.gz RRKKHTYWDIJQED-NRFANRHFSA-N 2 1 342.527 3.731 20 0 EHADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCCC2)cc1 ZINC000655688029 1017389576 /nfs/dbraw/zinc/38/95/76/1017389576.db2.gz GWOGBVFVBIZXFP-OAQYLSRUSA-N 2 1 342.527 3.731 20 0 EHADMP Cc1nc(COc2ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc2)cs1 ZINC000340403362 1017405957 /nfs/dbraw/zinc/40/59/57/1017405957.db2.gz BXEBFCVCULHSPN-UHFFFAOYSA-N 2 1 347.528 3.850 20 0 EHADMP Cc1nc(COc2ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc2)cs1 ZINC000340403362 1017405964 /nfs/dbraw/zinc/40/59/64/1017405964.db2.gz BXEBFCVCULHSPN-UHFFFAOYSA-N 2 1 347.528 3.850 20 0 EHADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000415020773 1017406434 /nfs/dbraw/zinc/40/64/34/1017406434.db2.gz UERAACXDSVTKJN-GJZGRUSLSA-N 2 1 338.430 3.504 20 0 EHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698344 1017415324 /nfs/dbraw/zinc/41/53/24/1017415324.db2.gz VBJVUDZWINCSAX-UXHICEINSA-N 2 1 334.479 3.756 20 0 EHADMP c1cn2c(n1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CCC2 ZINC000655704090 1017423255 /nfs/dbraw/zinc/42/32/55/1017423255.db2.gz PLOQWBMICMDQOO-HXUWFJFHSA-N 2 1 338.499 3.884 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000120979476 1017427712 /nfs/dbraw/zinc/42/77/12/1017427712.db2.gz OJURXXFDQHXUPO-HNNXBMFYSA-N 2 1 330.476 3.722 20 0 EHADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000655733420 1017487476 /nfs/dbraw/zinc/48/74/76/1017487476.db2.gz MZJCPPSLJMDAGE-NRFANRHFSA-N 2 1 342.527 3.632 20 0 EHADMP c1ccc([C@@H]2CCCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655774225 1017566518 /nfs/dbraw/zinc/56/65/18/1017566518.db2.gz PXEANLJNHBMOBT-NNWRFLSQSA-N 2 1 342.527 3.803 20 0 EHADMP Clc1cccc(CC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000655775311 1017568638 /nfs/dbraw/zinc/56/86/38/1017568638.db2.gz VVTFSFFGJNKKRV-IBGZPJMESA-N 2 1 348.918 3.506 20 0 EHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C1 ZINC000415128159 1017593367 /nfs/dbraw/zinc/59/33/67/1017593367.db2.gz RTPQJOLQRZEMSB-STQMWFEESA-N 2 1 349.327 3.773 20 0 EHADMP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cccc5nc[nH]c54)(C2)CCC3)c1 ZINC001279109356 1017616961 /nfs/dbraw/zinc/61/69/61/1017616961.db2.gz CDQWXSHLVUXRHA-RTWAWAEBSA-N 2 1 349.482 3.616 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000377394680 1017746874 /nfs/dbraw/zinc/74/68/74/1017746874.db2.gz VAFAKTVPJTZFKK-BFGFKNPTSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H](C[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC001167312907 1017891490 /nfs/dbraw/zinc/89/14/90/1017891490.db2.gz CMXLYYWZUUGWKQ-IBGZPJMESA-N 2 1 338.495 3.754 20 0 EHADMP C[C@@H](C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001167312907 1017891511 /nfs/dbraw/zinc/89/15/11/1017891511.db2.gz CMXLYYWZUUGWKQ-IBGZPJMESA-N 2 1 338.495 3.754 20 0 EHADMP C[C@@H](C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001167312907 1017891527 /nfs/dbraw/zinc/89/15/27/1017891527.db2.gz CMXLYYWZUUGWKQ-IBGZPJMESA-N 2 1 338.495 3.754 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000340456806 1017895509 /nfs/dbraw/zinc/89/55/09/1017895509.db2.gz UTGNQMUDBNEELZ-HNNXBMFYSA-N 2 1 330.451 3.535 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000377664213 1018147326 /nfs/dbraw/zinc/14/73/26/1018147326.db2.gz DIVTWGVCXZVZNV-OALUTQOASA-N 2 1 346.906 3.660 20 0 EHADMP CCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000893098683 1018476569 /nfs/dbraw/zinc/47/65/69/1018476569.db2.gz RKWKZIBMPXQEIM-FUHWJXTLSA-N 2 1 328.456 3.821 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073280 1018598829 /nfs/dbraw/zinc/59/88/29/1018598829.db2.gz GHDXGNKMNRLRPK-WOJBJXKFSA-N 2 1 348.490 3.949 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073280 1018598840 /nfs/dbraw/zinc/59/88/40/1018598840.db2.gz GHDXGNKMNRLRPK-WOJBJXKFSA-N 2 1 348.490 3.949 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193746 1018765782 /nfs/dbraw/zinc/76/57/82/1018765782.db2.gz SCBPSQPVGNHWNV-HKUYNNGSSA-N 2 1 328.500 3.731 20 0 EHADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193746 1018765798 /nfs/dbraw/zinc/76/57/98/1018765798.db2.gz SCBPSQPVGNHWNV-HKUYNNGSSA-N 2 1 328.500 3.731 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000052208963 1018868103 /nfs/dbraw/zinc/86/81/03/1018868103.db2.gz OPNPOMJNYLVIKQ-UHFFFAOYSA-N 2 1 331.460 3.879 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000052208963 1018868120 /nfs/dbraw/zinc/86/81/20/1018868120.db2.gz OPNPOMJNYLVIKQ-UHFFFAOYSA-N 2 1 331.460 3.879 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261774031 1019058931 /nfs/dbraw/zinc/05/89/31/1019058931.db2.gz XGJKDNILKWMBSY-PLACYPQZSA-N 2 1 329.532 3.580 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(Br)c2)[C@H](C)C1 ZINC000089555524 1019221420 /nfs/dbraw/zinc/22/14/20/1019221420.db2.gz YYOOZGCJJPRCDW-RHSMWYFYSA-N 2 1 339.321 3.702 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000429999277 1019447573 /nfs/dbraw/zinc/44/75/73/1019447573.db2.gz BILWKWNMIYLPKI-MRXNPFEDSA-N 2 1 336.907 3.950 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000429999277 1019447589 /nfs/dbraw/zinc/44/75/89/1019447589.db2.gz BILWKWNMIYLPKI-MRXNPFEDSA-N 2 1 336.907 3.950 20 0 EHADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000289672035 1019449463 /nfs/dbraw/zinc/44/94/63/1019449463.db2.gz ZTAKZQLZAUGJOL-LNLFQRSKSA-N 2 1 343.515 3.730 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000289672035 1019449470 /nfs/dbraw/zinc/44/94/70/1019449470.db2.gz ZTAKZQLZAUGJOL-LNLFQRSKSA-N 2 1 343.515 3.730 20 0 EHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000289672035 1019449475 /nfs/dbraw/zinc/44/94/75/1019449475.db2.gz ZTAKZQLZAUGJOL-LNLFQRSKSA-N 2 1 343.515 3.730 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000580551534 1019626434 /nfs/dbraw/zinc/62/64/34/1019626434.db2.gz QLMZYSVECCJLMA-HZPDHXFCSA-N 2 1 326.406 3.569 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000513469708 1019722310 /nfs/dbraw/zinc/72/23/10/1019722310.db2.gz RNTAGHFLHCFZLL-MJGOQNOKSA-N 2 1 343.559 3.938 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000513469708 1019722330 /nfs/dbraw/zinc/72/23/30/1019722330.db2.gz RNTAGHFLHCFZLL-MJGOQNOKSA-N 2 1 343.559 3.938 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398150781 1019818843 /nfs/dbraw/zinc/81/88/43/1019818843.db2.gz YUQZVBYILLPDDM-WLRLJWMZSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398150781 1019818862 /nfs/dbraw/zinc/81/88/62/1019818862.db2.gz YUQZVBYILLPDDM-WLRLJWMZSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000580889668 1020194948 /nfs/dbraw/zinc/19/49/48/1020194948.db2.gz ABYDOIBHZHBNOM-POAQFYNOSA-N 2 1 343.515 3.907 20 0 EHADMP O[C@@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000345705806 1020460857 /nfs/dbraw/zinc/46/08/57/1020460857.db2.gz BAYXSQFDURWDRA-RBUKOAKNSA-N 2 1 336.907 3.618 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000093769378 1032907799 /nfs/dbraw/zinc/90/77/99/1032907799.db2.gz OHNWISUSLPCSCM-UHFFFAOYSA-N 2 1 328.884 3.503 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000501054836 1020687521 /nfs/dbraw/zinc/68/75/21/1020687521.db2.gz OHBBVTJUFFPXKE-FQEVSTJZSA-N 2 1 335.580 3.695 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000156177534 1020763210 /nfs/dbraw/zinc/76/32/10/1020763210.db2.gz JKZGOFSWFFSMDY-CQSZACIVSA-N 2 1 349.931 3.864 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000276300070 1021002464 /nfs/dbraw/zinc/00/24/64/1021002464.db2.gz URSWMKNFRKGYEP-UHFFFAOYSA-N 2 1 348.531 3.715 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CC3CC[NH+](CC)CC3)C2)C1 ZINC001279498432 1021015725 /nfs/dbraw/zinc/01/57/25/1021015725.db2.gz HTMAUOVTAGDMHV-HXUWFJFHSA-N 2 1 349.607 3.942 20 0 EHADMP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CC3CC[NH+](CC)CC3)C2)C1 ZINC001279498432 1021015728 /nfs/dbraw/zinc/01/57/28/1021015728.db2.gz HTMAUOVTAGDMHV-HXUWFJFHSA-N 3 1 349.607 3.942 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CC3CC[NH+](CC)CC3)C2)C1 ZINC001279498432 1021015731 /nfs/dbraw/zinc/01/57/31/1021015731.db2.gz HTMAUOVTAGDMHV-HXUWFJFHSA-N 3 1 349.607 3.942 20 0 EHADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502775 1021093426 /nfs/dbraw/zinc/09/34/26/1021093426.db2.gz WVYQARGCOWDXES-MHTWAQMVSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502775 1021093430 /nfs/dbraw/zinc/09/34/30/1021093430.db2.gz WVYQARGCOWDXES-MHTWAQMVSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502775 1021093435 /nfs/dbraw/zinc/09/34/35/1021093435.db2.gz WVYQARGCOWDXES-MHTWAQMVSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502775 1021093443 /nfs/dbraw/zinc/09/34/43/1021093443.db2.gz WVYQARGCOWDXES-MHTWAQMVSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502775 1021093446 /nfs/dbraw/zinc/09/34/46/1021093446.db2.gz WVYQARGCOWDXES-MHTWAQMVSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502775 1021093449 /nfs/dbraw/zinc/09/34/49/1021093449.db2.gz WVYQARGCOWDXES-MHTWAQMVSA-N 2 1 335.580 3.551 20 0 EHADMP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502775 1021093454 /nfs/dbraw/zinc/09/34/54/1021093454.db2.gz WVYQARGCOWDXES-MHTWAQMVSA-N 2 1 335.580 3.551 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]21 ZINC000261971026 1021177945 /nfs/dbraw/zinc/17/79/45/1021177945.db2.gz YYMSQHGLIPWZKN-NUEKZKHPSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]21 ZINC000261971026 1021177951 /nfs/dbraw/zinc/17/79/51/1021177951.db2.gz YYMSQHGLIPWZKN-NUEKZKHPSA-N 2 1 331.847 3.554 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507498162 1021296253 /nfs/dbraw/zinc/29/62/53/1021296253.db2.gz UPSXNYGSVZPVFJ-OAHLLOKOSA-N 2 1 349.485 3.503 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507498162 1021296261 /nfs/dbraw/zinc/29/62/61/1021296261.db2.gz UPSXNYGSVZPVFJ-OAHLLOKOSA-N 2 1 349.485 3.503 20 0 EHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCOC1 ZINC000507487441 1021303992 /nfs/dbraw/zinc/30/39/92/1021303992.db2.gz RDYGFTHJQBINBW-SQAAOVBZSA-N 2 1 330.516 3.548 20 0 EHADMP c1cncc(-c2cccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)c1 ZINC000656784084 1021333556 /nfs/dbraw/zinc/33/35/56/1021333556.db2.gz CLKJGIZMIUQCLN-QFIPXVFZSA-N 2 1 335.495 3.960 20 0 EHADMP Fc1ccc2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656784072 1021336970 /nfs/dbraw/zinc/33/69/70/1021336970.db2.gz YJDMHOCLLPIIPS-CQSZACIVSA-N 2 1 333.476 3.647 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000684369981 1021368878 /nfs/dbraw/zinc/36/88/78/1021368878.db2.gz HCUGWCXSBWKYNF-IOMROCGXSA-N 2 1 330.516 3.966 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+](C)C2CCCCC2)cc1O ZINC000426413392 1021514363 /nfs/dbraw/zinc/51/43/63/1021514363.db2.gz SARAIOYBCZFQIQ-INIZCTEOSA-N 2 1 334.504 3.576 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+](C)C2CCCCC2)cc1O ZINC000426413392 1021514380 /nfs/dbraw/zinc/51/43/80/1021514380.db2.gz SARAIOYBCZFQIQ-INIZCTEOSA-N 2 1 334.504 3.576 20 0 EHADMP C[C@@H](CC[NH3+])[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414897593 1021515858 /nfs/dbraw/zinc/51/58/58/1021515858.db2.gz RWGFTUPNCZFUPY-JTQLQIEISA-N 2 1 329.391 3.656 20 0 EHADMP Cc1nc2ccc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2s1 ZINC000426415526 1021516577 /nfs/dbraw/zinc/51/65/77/1021516577.db2.gz CZHDWTNAVPUMSK-QGZVFWFLSA-N 2 1 329.513 3.768 20 0 EHADMP Cc1nc2ccc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2s1 ZINC000426415526 1021516583 /nfs/dbraw/zinc/51/65/83/1021516583.db2.gz CZHDWTNAVPUMSK-QGZVFWFLSA-N 2 1 329.513 3.768 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2s1 ZINC000426415526 1021516591 /nfs/dbraw/zinc/51/65/91/1021516591.db2.gz CZHDWTNAVPUMSK-QGZVFWFLSA-N 2 1 329.513 3.768 20 0 EHADMP Cc1nc2ccc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2s1 ZINC000426415526 1021516597 /nfs/dbraw/zinc/51/65/97/1021516597.db2.gz CZHDWTNAVPUMSK-QGZVFWFLSA-N 2 1 329.513 3.768 20 0 EHADMP Brc1c[nH+]ccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000341361614 1021537171 /nfs/dbraw/zinc/53/71/71/1021537171.db2.gz HCKRATPEUGXJPG-KRWDZBQOSA-N 2 1 346.272 3.515 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426422303 1021547360 /nfs/dbraw/zinc/54/73/60/1021547360.db2.gz VFNSUJOAZMZQDG-ROUUACIJSA-N 2 1 348.531 3.824 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(C)c1 ZINC000246855139 1021576627 /nfs/dbraw/zinc/57/66/27/1021576627.db2.gz KWTKAGCXSDIIFW-RBUKOAKNSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246855139 1021576642 /nfs/dbraw/zinc/57/66/42/1021576642.db2.gz KWTKAGCXSDIIFW-RBUKOAKNSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246855139 1021576664 /nfs/dbraw/zinc/57/66/64/1021576664.db2.gz KWTKAGCXSDIIFW-RBUKOAKNSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246855139 1021576681 /nfs/dbraw/zinc/57/66/81/1021576681.db2.gz KWTKAGCXSDIIFW-RBUKOAKNSA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246855139 1021576693 /nfs/dbraw/zinc/57/66/93/1021576693.db2.gz KWTKAGCXSDIIFW-RBUKOAKNSA-N 2 1 345.531 3.745 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000518996173 1021745452 /nfs/dbraw/zinc/74/54/52/1021745452.db2.gz VJGNCYYKJKZBPJ-HNNXBMFYSA-N 2 1 348.288 3.605 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000518996173 1021745466 /nfs/dbraw/zinc/74/54/66/1021745466.db2.gz VJGNCYYKJKZBPJ-HNNXBMFYSA-N 2 1 348.288 3.605 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000506752727 1021925281 /nfs/dbraw/zinc/92/52/81/1021925281.db2.gz ONTVCOLAHXBDAI-UHFFFAOYSA-N 2 1 341.474 3.600 20 0 EHADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925022282 1021987165 /nfs/dbraw/zinc/98/71/65/1021987165.db2.gz FTWQNCVBSMIGLU-NVXWUHKLSA-N 2 1 330.472 3.629 20 0 EHADMP CCc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000276661863 1022062592 /nfs/dbraw/zinc/06/25/92/1022062592.db2.gz RZPFOOILJQKZFL-JOCHJYFZSA-N 2 1 338.495 3.537 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602610529 1033027344 /nfs/dbraw/zinc/02/73/44/1033027344.db2.gz ARGGDSXYHIFFRS-HNAWSFBYSA-N 2 1 344.499 3.532 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602610529 1033027357 /nfs/dbraw/zinc/02/73/57/1033027357.db2.gz ARGGDSXYHIFFRS-HNAWSFBYSA-N 2 1 344.499 3.532 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070695 1022094882 /nfs/dbraw/zinc/09/48/82/1022094882.db2.gz CYEXEZZBEFEWED-GFCCVEGCSA-N 2 1 331.287 3.884 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440330496 1022096987 /nfs/dbraw/zinc/09/69/87/1022096987.db2.gz VHFBUEPNRCQALY-OAHLLOKOSA-N 2 1 330.501 3.559 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440330496 1022096996 /nfs/dbraw/zinc/09/69/96/1022096996.db2.gz VHFBUEPNRCQALY-OAHLLOKOSA-N 2 1 330.501 3.559 20 0 EHADMP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000517205832 1022133215 /nfs/dbraw/zinc/13/32/15/1022133215.db2.gz NWTQUEZSUZGURM-QGZVFWFLSA-N 2 1 340.433 3.872 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415021465 1022165100 /nfs/dbraw/zinc/16/51/00/1022165100.db2.gz UQUSOXQCKOTBAI-DLBZAZTESA-N 2 1 334.467 3.673 20 0 EHADMP CC1(C)CC([NH2+]Cc2ccc(Br)cc2F)CC(C)(C)[NH2+]1 ZINC000036668230 1033034316 /nfs/dbraw/zinc/03/43/16/1033034316.db2.gz YIUYTLZQACOIOW-UHFFFAOYSA-N 2 1 343.284 3.987 20 0 EHADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053185 1022179144 /nfs/dbraw/zinc/17/91/44/1022179144.db2.gz OMBHYEJTLBUGKD-AEFFLSMTSA-N 2 1 327.497 3.774 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000163950902 1022210408 /nfs/dbraw/zinc/21/04/08/1022210408.db2.gz ZIPYBJMUAIIWAU-MRXNPFEDSA-N 2 1 328.431 3.509 20 0 EHADMP CCC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000579251249 1022214491 /nfs/dbraw/zinc/21/44/91/1022214491.db2.gz DLUQGUQBHPRNFI-RTWAWAEBSA-N 2 1 342.527 3.647 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089768 1022271650 /nfs/dbraw/zinc/27/16/50/1022271650.db2.gz IGBLAIYSKRDUDI-QAPCUYQASA-N 2 1 349.544 3.622 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089768 1022271657 /nfs/dbraw/zinc/27/16/57/1022271657.db2.gz IGBLAIYSKRDUDI-QAPCUYQASA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089768 1022271668 /nfs/dbraw/zinc/27/16/68/1022271668.db2.gz IGBLAIYSKRDUDI-QAPCUYQASA-N 2 1 349.544 3.622 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000084089768 1022271673 /nfs/dbraw/zinc/27/16/73/1022271673.db2.gz IGBLAIYSKRDUDI-QAPCUYQASA-N 2 1 349.544 3.622 20 0 EHADMP c1cc(-c2n[nH]cc2CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000438123782 1022404522 /nfs/dbraw/zinc/40/45/22/1022404522.db2.gz TXWGBFRAEIKGPF-KSSFIOAISA-N 2 1 342.512 3.587 20 0 EHADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc(OC)c1 ZINC001167994198 1022414345 /nfs/dbraw/zinc/41/43/45/1022414345.db2.gz YVSSPQUPNUFQRY-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc(OC)c1 ZINC001167994198 1022414352 /nfs/dbraw/zinc/41/43/52/1022414352.db2.gz YVSSPQUPNUFQRY-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(OC)c1 ZINC001167994198 1022414356 /nfs/dbraw/zinc/41/43/56/1022414356.db2.gz YVSSPQUPNUFQRY-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(OC)c1 ZINC001167994198 1022414364 /nfs/dbraw/zinc/41/43/64/1022414364.db2.gz YVSSPQUPNUFQRY-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1OC ZINC001167995349 1022421297 /nfs/dbraw/zinc/42/12/97/1022421297.db2.gz BYCHXVDIYOONKO-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1OC ZINC001167995349 1022421308 /nfs/dbraw/zinc/42/13/08/1022421308.db2.gz BYCHXVDIYOONKO-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1OC ZINC001167995349 1022421318 /nfs/dbraw/zinc/42/13/18/1022421318.db2.gz BYCHXVDIYOONKO-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167995349 1022421323 /nfs/dbraw/zinc/42/13/23/1022421323.db2.gz BYCHXVDIYOONKO-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP CC1(C)C[N@H+](Cc2ccon2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837010 1022696502 /nfs/dbraw/zinc/69/65/02/1022696502.db2.gz LYPFAIWKWBSRQQ-FQEVSTJZSA-N 2 1 339.483 3.797 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccon2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837010 1022696507 /nfs/dbraw/zinc/69/65/07/1022696507.db2.gz LYPFAIWKWBSRQQ-FQEVSTJZSA-N 2 1 339.483 3.797 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)oc2c1 ZINC000426052536 1022782373 /nfs/dbraw/zinc/78/23/73/1022782373.db2.gz YKICMSRFVHKZFW-KFKAGJAMSA-N 2 1 342.483 3.770 20 0 EHADMP Cc1cccc(Cl)c1C(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981709 1022786708 /nfs/dbraw/zinc/78/67/08/1022786708.db2.gz GGLWNCXTLHRGCX-MQVJKMGUSA-N 2 1 331.891 3.969 20 0 EHADMP Clc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000430946629 1022931112 /nfs/dbraw/zinc/93/11/12/1022931112.db2.gz BEHFZGKBJFEBIZ-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP CCCCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253762 1023358692 /nfs/dbraw/zinc/35/86/92/1023358692.db2.gz FHNXCIIHLAVKIS-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253762 1023358699 /nfs/dbraw/zinc/35/86/99/1023358699.db2.gz FHNXCIIHLAVKIS-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253762 1023358704 /nfs/dbraw/zinc/35/87/04/1023358704.db2.gz FHNXCIIHLAVKIS-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253762 1023358714 /nfs/dbraw/zinc/35/87/14/1023358714.db2.gz FHNXCIIHLAVKIS-SFHVURJKSA-N 2 1 334.504 3.648 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000449737350 1033135984 /nfs/dbraw/zinc/13/59/84/1033135984.db2.gz ZDIQLBQCRSGQKI-CEMLEFRQSA-N 2 1 335.495 3.699 20 0 EHADMP CC1CC[NH+](CC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000474059021 1023959596 /nfs/dbraw/zinc/95/95/96/1023959596.db2.gz ZMEDEFHMLXATIQ-SFHVURJKSA-N 2 1 343.515 3.589 20 0 EHADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C2 ZINC000192445915 1024013007 /nfs/dbraw/zinc/01/30/07/1024013007.db2.gz FKCWCRDXHVMPOW-PKOBYXMFSA-N 2 1 330.516 3.510 20 0 EHADMP CC[C@@H](CCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000623889644 1024179688 /nfs/dbraw/zinc/17/96/88/1024179688.db2.gz SGZXVSUCZMUWOB-FQEVSTJZSA-N 2 1 330.516 3.632 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443616138 1024237962 /nfs/dbraw/zinc/23/79/62/1024237962.db2.gz LSNNHCYLUJGOOC-DNVCBOLYSA-N 2 1 336.907 3.760 20 0 EHADMP CC1(C)CC[NH+](C/C=C/C[N@H+]2CCSC(C)(C)CC2)CCS1 ZINC000434664812 1024252804 /nfs/dbraw/zinc/25/28/04/1024252804.db2.gz LJVCEQMXYRDVIZ-AATRIKPKSA-N 2 1 342.618 3.978 20 0 EHADMP CO[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168023886 1024297023 /nfs/dbraw/zinc/29/70/23/1024297023.db2.gz YSQDDOHOAPOEBI-WKASQICBSA-N 2 1 330.516 3.975 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692647 1024301813 /nfs/dbraw/zinc/30/18/13/1024301813.db2.gz YYVKBGQCRBSZCL-XLIONFOSSA-N 2 1 345.531 3.994 20 0 EHADMP CC(C)[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)[NH+]1CCOCC1 ZINC000248293864 1024318354 /nfs/dbraw/zinc/31/83/54/1024318354.db2.gz VPOYFZBUJAMYTB-SFHVURJKSA-N 2 1 333.863 3.657 20 0 EHADMP COc1cncc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168024699 1024354590 /nfs/dbraw/zinc/35/45/90/1024354590.db2.gz HNQAEJBDCSFYCC-IAGOWNOFSA-N 2 1 339.483 3.621 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414855011 1024438128 /nfs/dbraw/zinc/43/81/28/1024438128.db2.gz MQQCSGGLZOOWTN-MNOVXSKESA-N 2 1 331.685 3.580 20 0 EHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1ccc(Cl)cc1 ZINC000895463538 1024535881 /nfs/dbraw/zinc/53/58/81/1024535881.db2.gz WAIQSECSZWJAHL-HDDXRBDOSA-N 2 1 336.907 3.613 20 0 EHADMP c1cc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)sn1 ZINC000895526405 1024585115 /nfs/dbraw/zinc/58/51/15/1024585115.db2.gz AJDGJEZZLGRVED-LPHOPBHVSA-N 2 1 327.497 3.643 20 0 EHADMP c1cc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)sn1 ZINC000895526405 1024585125 /nfs/dbraw/zinc/58/51/25/1024585125.db2.gz AJDGJEZZLGRVED-LPHOPBHVSA-N 2 1 327.497 3.643 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784629 1033223997 /nfs/dbraw/zinc/22/39/97/1033223997.db2.gz XSQKHIAMRZBIIV-KRWDZBQOSA-N 2 1 345.531 3.991 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784629 1033224006 /nfs/dbraw/zinc/22/40/06/1033224006.db2.gz XSQKHIAMRZBIIV-KRWDZBQOSA-N 2 1 345.531 3.991 20 0 EHADMP COC1CCC(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000895694459 1024729458 /nfs/dbraw/zinc/72/94/58/1024729458.db2.gz UXSUEQNAKVKRNV-OMZYAQQMSA-N 2 1 330.516 3.549 20 0 EHADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cn1 ZINC000427814991 1024799674 /nfs/dbraw/zinc/79/96/74/1024799674.db2.gz FFWHKSSEFLLNRC-SFHVURJKSA-N 2 1 338.499 3.868 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCCC1 ZINC000665247903 1024854794 /nfs/dbraw/zinc/85/47/94/1024854794.db2.gz LLMCPTYXHDUJKA-CQSZACIVSA-N 2 1 339.277 3.524 20 0 EHADMP CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435384382 1024867464 /nfs/dbraw/zinc/86/74/64/1024867464.db2.gz MMPQCSNFCQZKTF-OAHLLOKOSA-N 2 1 330.394 3.592 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000895822682 1024876357 /nfs/dbraw/zinc/87/63/57/1024876357.db2.gz QOPAHXHWJCSQJZ-UHFFFAOYSA-N 2 1 344.528 3.599 20 0 EHADMP CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435391393 1024876688 /nfs/dbraw/zinc/87/66/88/1024876688.db2.gz DZNMEBHWFZRERG-HXUWFJFHSA-N 2 1 339.483 3.625 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033875 1024877971 /nfs/dbraw/zinc/87/79/71/1024877971.db2.gz MSERYKUBFFCACY-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033875 1024877994 /nfs/dbraw/zinc/87/79/94/1024877994.db2.gz MSERYKUBFFCACY-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033875 1024878009 /nfs/dbraw/zinc/87/80/09/1024878009.db2.gz MSERYKUBFFCACY-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCN(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033875 1024878027 /nfs/dbraw/zinc/87/80/27/1024878027.db2.gz MSERYKUBFFCACY-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCN(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033875 1024878046 /nfs/dbraw/zinc/87/80/46/1024878046.db2.gz MSERYKUBFFCACY-YHELAOLJSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281349051 1024924667 /nfs/dbraw/zinc/92/46/67/1024924667.db2.gz VEAMXGMLCIZNMT-KFKAGJAMSA-N 2 1 326.488 3.847 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000157733363 1025102184 /nfs/dbraw/zinc/10/21/84/1025102184.db2.gz VVZRDEYNCDWDEM-APWZRJJASA-N 2 1 343.515 3.778 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+]1C ZINC000157733363 1025102190 /nfs/dbraw/zinc/10/21/90/1025102190.db2.gz VVZRDEYNCDWDEM-APWZRJJASA-N 2 1 343.515 3.778 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000515234904 1025112952 /nfs/dbraw/zinc/11/29/52/1025112952.db2.gz ORYPZVJDUSEWSB-TXLGJMDYSA-N 2 1 336.545 3.662 20 0 EHADMP CC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000515234904 1025112954 /nfs/dbraw/zinc/11/29/54/1025112954.db2.gz ORYPZVJDUSEWSB-TXLGJMDYSA-N 2 1 336.545 3.662 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012569 1025117388 /nfs/dbraw/zinc/11/73/88/1025117388.db2.gz CDKIYCSHOKKNEQ-KOUHRCEDSA-N 2 1 329.532 3.500 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012569 1025117397 /nfs/dbraw/zinc/11/73/97/1025117397.db2.gz CDKIYCSHOKKNEQ-KOUHRCEDSA-N 2 1 329.532 3.500 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012569 1025117414 /nfs/dbraw/zinc/11/74/14/1025117414.db2.gz CDKIYCSHOKKNEQ-KOUHRCEDSA-N 2 1 329.532 3.500 20 0 EHADMP C[C@H]1CC([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168036908 1025133000 /nfs/dbraw/zinc/13/30/00/1025133000.db2.gz XUUQCDLMHIQPSK-RJOZEALSSA-N 2 1 343.559 3.890 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254834 1025294781 /nfs/dbraw/zinc/29/47/81/1025294781.db2.gz QLGYILDHUXJQIR-WWDZGPRUSA-N 2 1 336.545 3.766 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254834 1025294794 /nfs/dbraw/zinc/29/47/94/1025294794.db2.gz QLGYILDHUXJQIR-WWDZGPRUSA-N 2 1 336.545 3.766 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254834 1025294807 /nfs/dbraw/zinc/29/48/07/1025294807.db2.gz QLGYILDHUXJQIR-WWDZGPRUSA-N 2 1 336.545 3.766 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254834 1025294820 /nfs/dbraw/zinc/29/48/20/1025294820.db2.gz QLGYILDHUXJQIR-WWDZGPRUSA-N 2 1 336.545 3.766 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1c(C)cc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000436045568 1025328797 /nfs/dbraw/zinc/32/87/97/1025328797.db2.gz FHHHFRIWPHQHOH-GOSISDBHSA-N 2 1 343.540 3.988 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1c(C)cc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000436045568 1025328804 /nfs/dbraw/zinc/32/88/04/1025328804.db2.gz FHHHFRIWPHQHOH-GOSISDBHSA-N 2 1 343.540 3.988 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@H](CO)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168041119 1025368072 /nfs/dbraw/zinc/36/80/72/1025368072.db2.gz QUPYOTJRWVTLCG-QWFCFKBJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@@H](CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041119 1025368088 /nfs/dbraw/zinc/36/80/88/1025368088.db2.gz QUPYOTJRWVTLCG-QWFCFKBJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@H](CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041119 1025368105 /nfs/dbraw/zinc/36/81/05/1025368105.db2.gz QUPYOTJRWVTLCG-QWFCFKBJSA-N 2 1 330.516 3.522 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Oc1cccnc1 ZINC000347059469 1025455496 /nfs/dbraw/zinc/45/54/96/1025455496.db2.gz XDDCSJPICHNXKV-WMZOPIPTSA-N 2 1 325.456 3.742 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000442773093 1025466925 /nfs/dbraw/zinc/46/69/25/1025466925.db2.gz WJNCSFRVSNLIGT-KBPBESRZSA-N 2 1 330.394 3.534 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC)cc2C)[C@@H](C)C1 ZINC000657363724 1025530798 /nfs/dbraw/zinc/53/07/98/1025530798.db2.gz RJEXFMBBCZEPQE-RXVVDRJESA-N 2 1 348.531 3.620 20 0 EHADMP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436285818 1025534178 /nfs/dbraw/zinc/53/41/78/1025534178.db2.gz RBEJHUFLNQTUSV-XLIONFOSSA-N 2 1 332.536 3.782 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442874115 1025544797 /nfs/dbraw/zinc/54/47/97/1025544797.db2.gz LUZUYEFJVPXYND-CYBMUJFWSA-N 2 1 344.330 3.670 20 0 EHADMP CC(C)(C)n1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c(-c2ccccc2Cl)n1 ZINC000414881796 1025604627 /nfs/dbraw/zinc/60/46/27/1025604627.db2.gz AVWABWQUBVVGTA-KRWDZBQOSA-N 2 1 346.906 3.785 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629509 1025620901 /nfs/dbraw/zinc/62/09/01/1025620901.db2.gz DZVUXZPSHJKSSX-NQIIRXRSSA-N 3 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000121629509 1025620906 /nfs/dbraw/zinc/62/09/06/1025620906.db2.gz DZVUXZPSHJKSSX-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@@H+]1C ZINC000121629509 1025620910 /nfs/dbraw/zinc/62/09/10/1025620910.db2.gz DZVUXZPSHJKSSX-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000121629509 1025620917 /nfs/dbraw/zinc/62/09/17/1025620917.db2.gz DZVUXZPSHJKSSX-NQIIRXRSSA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H](C[NH3+])C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414883497 1025664069 /nfs/dbraw/zinc/66/40/69/1025664069.db2.gz VDVZWJKYYSFIIC-SNVBAGLBSA-N 2 1 329.391 3.513 20 0 EHADMP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407392 1025782013 /nfs/dbraw/zinc/78/20/13/1025782013.db2.gz WUGPKIDBJATZFG-LAQIPUCWSA-N 2 1 327.472 3.528 20 0 EHADMP C[C@@H]1CC([N@H+](C)[C@H]2CC[C@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044071 1025786663 /nfs/dbraw/zinc/78/66/63/1025786663.db2.gz FEWAXGRUGGGWKX-VGUOSERISA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]1CC([N@@H+](C)[C@H]2CC[C@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044071 1025786694 /nfs/dbraw/zinc/78/66/94/1025786694.db2.gz FEWAXGRUGGGWKX-VGUOSERISA-N 2 1 330.516 3.663 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000647248683 1025924863 /nfs/dbraw/zinc/92/48/63/1025924863.db2.gz RLCUSDUBYFMAHV-MJGOQNOKSA-N 2 1 344.886 3.784 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000647248683 1025924875 /nfs/dbraw/zinc/92/48/75/1025924875.db2.gz RLCUSDUBYFMAHV-MJGOQNOKSA-N 2 1 344.886 3.784 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000530513297 1025987086 /nfs/dbraw/zinc/98/70/86/1025987086.db2.gz CBAYKZDPCHRDQW-AWEZNQCLSA-N 2 1 340.254 3.773 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451488913 1026030306 /nfs/dbraw/zinc/03/03/06/1026030306.db2.gz DNTLYWCLSJPJRA-PMACEKPBSA-N 2 1 341.499 3.945 20 0 EHADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000657413567 1026105651 /nfs/dbraw/zinc/10/56/51/1026105651.db2.gz LYBILRYMIAILAI-ICSRJNTNSA-N 2 1 348.531 3.558 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000342571123 1026321286 /nfs/dbraw/zinc/32/12/86/1026321286.db2.gz CVQQQYRRGGPDPC-DLBZAZTESA-N 2 1 337.389 3.907 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000277630711 1026361485 /nfs/dbraw/zinc/36/14/85/1026361485.db2.gz XTRHPPLAWQJENL-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000277630711 1026361496 /nfs/dbraw/zinc/36/14/96/1026361496.db2.gz XTRHPPLAWQJENL-HXUWFJFHSA-N 2 1 339.483 3.577 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062212 1026514662 /nfs/dbraw/zinc/51/46/62/1026514662.db2.gz JOZUOWRLVWUCAE-DBXWQHBBSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@]23CCOC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062212 1026514669 /nfs/dbraw/zinc/51/46/69/1026514669.db2.gz JOZUOWRLVWUCAE-DBXWQHBBSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000325057943 1026541508 /nfs/dbraw/zinc/54/15/08/1026541508.db2.gz RXUBDPYQBANIAB-OLMNPRSZSA-N 2 1 338.442 3.826 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000325057943 1026541512 /nfs/dbraw/zinc/54/15/12/1026541512.db2.gz RXUBDPYQBANIAB-OLMNPRSZSA-N 2 1 338.442 3.826 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000159223342 1026552075 /nfs/dbraw/zinc/55/20/75/1026552075.db2.gz NMLJYYQXWGHWMT-UHFFFAOYSA-N 2 1 342.487 3.584 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000159223342 1026552087 /nfs/dbraw/zinc/55/20/87/1026552087.db2.gz NMLJYYQXWGHWMT-UHFFFAOYSA-N 2 1 342.487 3.584 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000531152760 1026614564 /nfs/dbraw/zinc/61/45/64/1026614564.db2.gz PDOUEOUXPKHMHU-GCJKJVERSA-N 2 1 348.490 3.963 20 0 EHADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931775 1026640409 /nfs/dbraw/zinc/64/04/09/1026640409.db2.gz FPEXPRZMELKHAD-SFHVURJKSA-N 2 1 347.462 3.552 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccn1 ZINC000657534490 1027015313 /nfs/dbraw/zinc/01/53/13/1027015313.db2.gz GKCMBIJICMHHRZ-QGZVFWFLSA-N 2 1 341.474 3.621 20 0 EHADMP Cc1ccc2[nH+]ccc(NCc3ccccc3C[NH+]3CCOCC3)c2c1 ZINC000302167868 1027077284 /nfs/dbraw/zinc/07/72/84/1027077284.db2.gz SGUFVVDNUSAMSG-UHFFFAOYSA-N 2 1 347.462 3.988 20 0 EHADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)CC[C@@H]1CCCC[NH+]1C ZINC000075860066 1027199585 /nfs/dbraw/zinc/19/95/85/1027199585.db2.gz YHZGKQQOUQRWBM-HNNXBMFYSA-N 2 1 348.516 3.537 20 0 EHADMP C[NH+](CCCc1nc(-c2cccs2)no1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860066 1027199597 /nfs/dbraw/zinc/19/95/97/1027199597.db2.gz YHZGKQQOUQRWBM-HNNXBMFYSA-N 2 1 348.516 3.537 20 0 EHADMP C[NH+](CCCc1nc(-c2cccs2)no1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860066 1027199606 /nfs/dbraw/zinc/19/96/06/1027199606.db2.gz YHZGKQQOUQRWBM-HNNXBMFYSA-N 2 1 348.516 3.537 20 0 EHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)C2)c1 ZINC000501465741 1027294599 /nfs/dbraw/zinc/29/45/99/1027294599.db2.gz GRKNISXKDSQWHV-NRSPTQNISA-N 2 1 327.516 3.962 20 0 EHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)C2)c1 ZINC000501465741 1027294607 /nfs/dbraw/zinc/29/46/07/1027294607.db2.gz GRKNISXKDSQWHV-NRSPTQNISA-N 2 1 327.516 3.962 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453054913 1027297249 /nfs/dbraw/zinc/29/72/49/1027297249.db2.gz BXVZHWQOEWJVPG-NJDAHSKKSA-N 2 1 330.516 3.836 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561702 1027302028 /nfs/dbraw/zinc/30/20/28/1027302028.db2.gz KNGIVBVCXPSZKV-NHCUHLMSSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657561702 1027302036 /nfs/dbraw/zinc/30/20/36/1027302036.db2.gz KNGIVBVCXPSZKV-NHCUHLMSSA-N 2 1 342.527 3.978 20 0 EHADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453080157 1027332467 /nfs/dbraw/zinc/33/24/67/1027332467.db2.gz DIAXDUMDTKBBDE-NJYVYQBISA-N 2 1 330.516 3.836 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453108817 1027377923 /nfs/dbraw/zinc/37/79/23/1027377923.db2.gz OJGQAIXJQQJHRA-HZPDHXFCSA-N 2 1 337.471 3.579 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296031 1027435121 /nfs/dbraw/zinc/43/51/21/1027435121.db2.gz WLORXNAPMWOENO-ZBFHGGJFSA-N 2 1 344.890 3.665 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCCCC1 ZINC000544385575 1027448816 /nfs/dbraw/zinc/44/88/16/1027448816.db2.gz HOMWBAWOAQFUBT-UTKZUKDTSA-N 2 1 330.516 3.702 20 0 EHADMP CCn1ccnc1C[N@@H+](CCCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000420306516 1027452563 /nfs/dbraw/zinc/45/25/63/1027452563.db2.gz HRLQFBXUHBVQQJ-KRWDZBQOSA-N 2 1 332.536 3.673 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000420310052 1027457940 /nfs/dbraw/zinc/45/79/40/1027457940.db2.gz LYTGTMPDPAZMJX-IBGZPJMESA-N 2 1 341.524 3.904 20 0 EHADMP c1csc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCCC2)c1 ZINC000655728863 1027461284 /nfs/dbraw/zinc/46/12/84/1027461284.db2.gz ZGHWCIBTHQBROW-SFHVURJKSA-N 2 1 348.556 3.793 20 0 EHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000420318402 1027466148 /nfs/dbraw/zinc/46/61/48/1027466148.db2.gz NZTXRLNHJJRVAJ-SVFBPWRDSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H]1CCC[C@H](CC[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000420321320 1027470607 /nfs/dbraw/zinc/47/06/07/1027470607.db2.gz ZXFUTCNQEVHYIB-GUDVDZBRSA-N 2 1 344.547 3.581 20 0 EHADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)o1 ZINC000420332665 1027482995 /nfs/dbraw/zinc/48/29/95/1027482995.db2.gz GTZQFROTSWVPFO-MRXNPFEDSA-N 2 1 331.485 3.676 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420333596 1027483104 /nfs/dbraw/zinc/48/31/04/1027483104.db2.gz FJTKMFKXXPQHJX-MOPGFXCFSA-N 2 1 328.500 3.636 20 0 EHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C1 ZINC000420381460 1027502486 /nfs/dbraw/zinc/50/24/86/1027502486.db2.gz CRJNDJMIWSSFEP-WMZOPIPTSA-N 2 1 349.544 3.519 20 0 EHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000420390742 1027508913 /nfs/dbraw/zinc/50/89/13/1027508913.db2.gz ZSVNMQLCPQTFOO-ROUUACIJSA-N 2 1 349.544 3.519 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C3)cs1 ZINC000420375068 1027515164 /nfs/dbraw/zinc/51/51/64/1027515164.db2.gz OWHHDDADFINLSF-CQSZACIVSA-N 2 1 347.553 3.928 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000459336070 1027689521 /nfs/dbraw/zinc/68/95/21/1027689521.db2.gz BTPITXJLVCCFCO-KRWDZBQOSA-N 2 1 327.516 3.957 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)cc1 ZINC000414659451 1027732036 /nfs/dbraw/zinc/73/20/36/1027732036.db2.gz NAHBMTVPTIMAHN-MGPUTAFESA-N 2 1 326.440 3.657 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607470 1027791667 /nfs/dbraw/zinc/79/16/67/1027791667.db2.gz GTCBJVHUXQOZIE-CVEARBPZSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607470 1027791684 /nfs/dbraw/zinc/79/16/84/1027791684.db2.gz GTCBJVHUXQOZIE-CVEARBPZSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607470 1027791702 /nfs/dbraw/zinc/79/17/02/1027791702.db2.gz GTCBJVHUXQOZIE-CVEARBPZSA-N 2 1 329.513 3.960 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414671590 1027810310 /nfs/dbraw/zinc/81/03/10/1027810310.db2.gz MJEXAXODCHAFNT-OAHLLOKOSA-N 2 1 332.394 3.798 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414671590 1027810321 /nfs/dbraw/zinc/81/03/21/1027810321.db2.gz MJEXAXODCHAFNT-OAHLLOKOSA-N 2 1 332.394 3.798 20 0 EHADMP c1ccc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420900619 1027842484 /nfs/dbraw/zinc/84/24/84/1027842484.db2.gz IRFYUJLSDDBJJZ-JOCHJYFZSA-N 2 1 336.479 3.508 20 0 EHADMP c1ccc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420900619 1027842533 /nfs/dbraw/zinc/84/25/33/1027842533.db2.gz IRFYUJLSDDBJJZ-JOCHJYFZSA-N 2 1 336.479 3.508 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCCO1 ZINC000359867546 1027863767 /nfs/dbraw/zinc/86/37/67/1027863767.db2.gz JGRNAJQJPPAKJH-KXEVLKFVSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261831703 1027865654 /nfs/dbraw/zinc/86/56/54/1027865654.db2.gz JEMIQNRNSUURSM-VLIAUNLRSA-N 2 1 330.422 3.766 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)s2)cs1 ZINC000339073040 1027887781 /nfs/dbraw/zinc/88/77/81/1027887781.db2.gz ZAWKDPMOTYMBFI-GJZGRUSLSA-N 2 1 347.553 3.939 20 0 EHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414694957 1027966578 /nfs/dbraw/zinc/96/65/78/1027966578.db2.gz OJBGRXWRAZJBGX-FCEWJHQRSA-N 2 1 326.488 3.581 20 0 EHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414697400 1027976700 /nfs/dbraw/zinc/97/67/00/1027976700.db2.gz WKZAQLGVLYXRCD-HDAAZOAOSA-N 2 1 329.532 3.532 20 0 EHADMP COc1cccc(C([NH2+][C@H](C)C[C@H](C)[NH3+])c2cccc(OC)c2)c1 ZINC000422817918 1027984907 /nfs/dbraw/zinc/98/49/07/1027984907.db2.gz FGHFQXHBNGFWDL-LSDHHAIUSA-N 2 1 328.456 3.509 20 0 EHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414697405 1027985001 /nfs/dbraw/zinc/98/50/01/1027985001.db2.gz WKZAQLGVLYXRCD-XCJLJZCSSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422853568 1027991551 /nfs/dbraw/zinc/99/15/51/1027991551.db2.gz ZFAIQCAQPSELSS-UGKGYDQZSA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422883990 1028016781 /nfs/dbraw/zinc/01/67/81/1028016781.db2.gz DJZWLAJXQYCTIS-OECWEMKESA-N 2 1 349.522 3.877 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000422890794 1028024763 /nfs/dbraw/zinc/02/47/63/1028024763.db2.gz SXUUGGXNZAOCIC-VQTJNVASSA-N 2 1 332.451 3.724 20 0 EHADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(O[C@H]2CCOC2)c1 ZINC000422870455 1028029688 /nfs/dbraw/zinc/02/96/88/1028029688.db2.gz BSUSWHBNEJOIMC-HOJAQTOUSA-N 2 1 346.515 3.563 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1)CC(C)C ZINC000444613759 1028076605 /nfs/dbraw/zinc/07/66/05/1028076605.db2.gz WTBXHQMBVLANFB-UHFFFAOYSA-N 3 1 337.596 3.942 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CCCN2CCCCC2)CC1)CC(C)C ZINC000444613759 1028076613 /nfs/dbraw/zinc/07/66/13/1028076613.db2.gz WTBXHQMBVLANFB-UHFFFAOYSA-N 2 1 337.596 3.942 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCCN2CCCCC2)CC1)CC(C)C ZINC000444613759 1028076629 /nfs/dbraw/zinc/07/66/29/1028076629.db2.gz WTBXHQMBVLANFB-UHFFFAOYSA-N 2 1 337.596 3.942 20 0 EHADMP CC[N@H+](CCC1CCN(CCC[NH+]2CCCCC2)CC1)CC(C)C ZINC000444613759 1028076636 /nfs/dbraw/zinc/07/66/36/1028076636.db2.gz WTBXHQMBVLANFB-UHFFFAOYSA-N 2 1 337.596 3.942 20 0 EHADMP CC[N@@H+](CCC1CCN(CCC[NH+]2CCCCC2)CC1)CC(C)C ZINC000444613759 1028076654 /nfs/dbraw/zinc/07/66/54/1028076654.db2.gz WTBXHQMBVLANFB-UHFFFAOYSA-N 2 1 337.596 3.942 20 0 EHADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422949983 1028089229 /nfs/dbraw/zinc/08/92/29/1028089229.db2.gz WWNUJOHJOGBTFR-ZIAGYGMSSA-N 2 1 331.485 3.582 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423019699 1028131152 /nfs/dbraw/zinc/13/11/52/1028131152.db2.gz WUXHHRUYBBLJSF-YEWWUXTCSA-N 2 1 326.431 3.553 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423050461 1028163932 /nfs/dbraw/zinc/16/39/32/1028163932.db2.gz LKABRGYIICWDAP-FVQBIDKESA-N 2 1 346.906 3.627 20 0 EHADMP FC(F)(F)C[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444700456 1028176879 /nfs/dbraw/zinc/17/68/79/1028176879.db2.gz FWVIFJJJXAOZDJ-STQMWFEESA-N 2 1 346.359 3.925 20 0 EHADMP COc1ccc([C@H]([NH2+]CC2CCC(F)(F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423117342 1028189000 /nfs/dbraw/zinc/18/90/00/1028189000.db2.gz VAFXYZXYCPXJTK-MSOLQXFVSA-N 2 1 338.442 3.903 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423111698 1028203001 /nfs/dbraw/zinc/20/30/01/1028203001.db2.gz JAJGVUCLUQPEOY-QGTPRVQTSA-N 2 1 338.442 3.903 20 0 EHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423112449 1028203806 /nfs/dbraw/zinc/20/38/06/1028203806.db2.gz XSCCLMIGMDEGCL-ORWCERHZSA-N 3 1 349.950 3.969 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134507 1028220111 /nfs/dbraw/zinc/22/01/11/1028220111.db2.gz MHRFYVPGBRDVOR-MJXNMMHHSA-N 2 1 336.414 3.807 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000423181449 1028250165 /nfs/dbraw/zinc/25/01/65/1028250165.db2.gz CVUCALWMAVETSZ-CQSZACIVSA-N 2 1 337.389 3.931 20 0 EHADMP COc1cccc2cc([C@@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc21 ZINC000423191821 1028262077 /nfs/dbraw/zinc/26/20/77/1028262077.db2.gz UDVKYKQIKTXVGW-OAHLLOKOSA-N 2 1 339.439 3.667 20 0 EHADMP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000423231527 1028295962 /nfs/dbraw/zinc/29/59/62/1028295962.db2.gz LLTRVLUKULXKOT-RGCMJDONSA-N 3 1 341.543 3.537 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423261333 1028321245 /nfs/dbraw/zinc/32/12/45/1028321245.db2.gz JRWFXYMJCQDOPI-VKJFTORMSA-N 2 1 334.504 3.693 20 0 EHADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000504024036 1028325819 /nfs/dbraw/zinc/32/58/19/1028325819.db2.gz IZHBUYIZVASNPM-FQEVSTJZSA-N 2 1 343.515 3.876 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423288206 1028326497 /nfs/dbraw/zinc/32/64/97/1028326497.db2.gz QYTFGMFLMKQBQQ-MRVPVSSYSA-N 2 1 339.199 3.856 20 0 EHADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C1CC1 ZINC000423274412 1028337238 /nfs/dbraw/zinc/33/72/38/1028337238.db2.gz KJKNQZFHZCYIGK-HOCLYGCPSA-N 2 1 331.460 3.654 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423317165 1028345429 /nfs/dbraw/zinc/34/54/29/1028345429.db2.gz CLKYXUGXHGEYHM-YGRLFVJLSA-N 2 1 341.318 3.703 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCC1 ZINC000423317622 1028346926 /nfs/dbraw/zinc/34/69/26/1028346926.db2.gz CPQSHKBYVAWXSG-CQSZACIVSA-N 2 1 331.460 3.798 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2([NH3+])CCC2)CCC3)cc1 ZINC000423321013 1028350892 /nfs/dbraw/zinc/35/08/92/1028350892.db2.gz HAIQAVQYMFCAQY-HNNXBMFYSA-N 2 1 343.496 3.667 20 0 EHADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459376676 1028355112 /nfs/dbraw/zinc/35/51/12/1028355112.db2.gz LLDZQYQAKHTWNJ-UHFFFAOYSA-N 2 1 349.272 3.506 20 0 EHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000423324226 1028363297 /nfs/dbraw/zinc/36/32/97/1028363297.db2.gz KIZVMEUASLEZHC-YJBOKZPZSA-N 2 1 342.487 3.613 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc(C)n1 ZINC000421393599 1028369654 /nfs/dbraw/zinc/36/96/54/1028369654.db2.gz YNXXYILHUMQDCO-UHFFFAOYSA-N 2 1 341.474 3.634 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000423363604 1028390038 /nfs/dbraw/zinc/39/00/38/1028390038.db2.gz AQMJCZYNUXXTAS-QKCSRTOESA-N 2 1 341.318 3.716 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000161982957 1028402540 /nfs/dbraw/zinc/40/25/40/1028402540.db2.gz JGBDXHUIWGCVKH-RPTUDFQQSA-N 2 1 325.456 3.645 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423387403 1028402906 /nfs/dbraw/zinc/40/29/06/1028402906.db2.gz SCWCOVIGKDNQBW-JKIFEVAISA-N 2 1 329.513 3.833 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC[NH2+]1 ZINC000423388072 1028405635 /nfs/dbraw/zinc/40/56/35/1028405635.db2.gz SXQKCKXWDVLVRY-HICWGWBUSA-N 2 1 341.268 3.769 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000423395866 1028408432 /nfs/dbraw/zinc/40/84/32/1028408432.db2.gz SYVZYYLYYDLCQW-WWGRRREGSA-N 2 1 332.879 3.625 20 0 EHADMP CCCCCCOc1cccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729683380 1028416789 /nfs/dbraw/zinc/41/67/89/1028416789.db2.gz MCGDNOMZTSELEX-FPOVZHCZSA-N 2 1 346.515 3.599 20 0 EHADMP CCCCCCOc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000729683380 1028416804 /nfs/dbraw/zinc/41/68/04/1028416804.db2.gz MCGDNOMZTSELEX-FPOVZHCZSA-N 2 1 346.515 3.599 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423484124 1028474319 /nfs/dbraw/zinc/47/43/19/1028474319.db2.gz ZUPVCHDHJIHJHB-HJLBWTBNSA-N 3 1 329.532 3.537 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000246415793 1028480106 /nfs/dbraw/zinc/48/01/06/1028480106.db2.gz MVXQWDNEEKFPMM-AEFFLSMTSA-N 2 1 331.504 3.664 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246415793 1028480115 /nfs/dbraw/zinc/48/01/15/1028480115.db2.gz MVXQWDNEEKFPMM-AEFFLSMTSA-N 2 1 331.504 3.664 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2F)s1 ZINC000423530698 1028484784 /nfs/dbraw/zinc/48/47/84/1028484784.db2.gz YWYJERGJTHMFCB-ZIAGYGMSSA-N 2 1 334.460 3.583 20 0 EHADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001167647774 1028530827 /nfs/dbraw/zinc/53/08/27/1028530827.db2.gz OWZCLXRIOIPMCW-PCCBWWKXSA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001167647774 1028530841 /nfs/dbraw/zinc/53/08/41/1028530841.db2.gz OWZCLXRIOIPMCW-PCCBWWKXSA-N 2 1 342.527 3.788 20 0 EHADMP CC1(C)CO[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001167647774 1028530850 /nfs/dbraw/zinc/53/08/50/1028530850.db2.gz OWZCLXRIOIPMCW-PCCBWWKXSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754155 1028549828 /nfs/dbraw/zinc/54/98/28/1028549828.db2.gz NJKBVUWAULEAEJ-IGCXYCKISA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754155 1028549843 /nfs/dbraw/zinc/54/98/43/1028549843.db2.gz NJKBVUWAULEAEJ-IGCXYCKISA-N 2 1 332.879 3.741 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC[NH2+]1 ZINC000414754155 1028549858 /nfs/dbraw/zinc/54/98/58/1028549858.db2.gz NJKBVUWAULEAEJ-IGCXYCKISA-N 2 1 332.879 3.741 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccnc1Cl ZINC000122315399 1028613942 /nfs/dbraw/zinc/61/39/42/1028613942.db2.gz CZUJKXXHVKMQOR-AWEZNQCLSA-N 2 1 333.863 3.526 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000237101967 1028640265 /nfs/dbraw/zinc/64/02/65/1028640265.db2.gz QXXMRQABPGWTAR-UHFFFAOYSA-N 2 1 348.494 3.640 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237102019 1028641300 /nfs/dbraw/zinc/64/13/00/1028641300.db2.gz DYUWEIIZPVYAPS-UHFFFAOYSA-N 2 1 334.467 3.581 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000339257749 1028675769 /nfs/dbraw/zinc/67/57/69/1028675769.db2.gz QCWYFIRRZJGHOH-SFHVURJKSA-N 2 1 343.515 3.528 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000246833297 1028699090 /nfs/dbraw/zinc/69/90/90/1028699090.db2.gz AOZZMJLYHSUHKC-FGTMMUONSA-N 2 1 341.499 3.775 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246904468 1028713389 /nfs/dbraw/zinc/71/33/89/1028713389.db2.gz GBIMYECPFXMFHF-SJORKVTESA-N 2 1 340.515 3.954 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccn1 ZINC000247077235 1028742452 /nfs/dbraw/zinc/74/24/52/1028742452.db2.gz OPRNUROYDUXOPN-KZNAEPCWSA-N 2 1 338.499 3.805 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247980312 1028835345 /nfs/dbraw/zinc/83/53/45/1028835345.db2.gz IHFLPQOGVOLRKY-NEYJZJCJSA-N 2 1 329.532 3.530 20 0 EHADMP CC(C)C[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414779854 1028924165 /nfs/dbraw/zinc/92/41/65/1028924165.db2.gz KRYVHHCUMDHGII-WOJBJXKFSA-N 2 1 330.516 3.504 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000248744401 1028944216 /nfs/dbraw/zinc/94/42/16/1028944216.db2.gz ATOLXFRBLVOGOF-HAGHYFMRSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424283283 1028954847 /nfs/dbraw/zinc/95/48/47/1028954847.db2.gz BEWSNXUXHHYABM-CQSZACIVSA-N 2 1 345.487 3.913 20 0 EHADMP Cc1csc(C2([NH2+]C[C@H](C[NH3+])c3ccc(F)cc3)CCCC2)n1 ZINC000424303841 1028988036 /nfs/dbraw/zinc/98/80/36/1028988036.db2.gz PJQAFHHHTHSTNG-HNNXBMFYSA-N 2 1 333.476 3.692 20 0 EHADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245684382 1029003422 /nfs/dbraw/zinc/00/34/22/1029003422.db2.gz JIJKMTQCCSXLFN-DKUWSORSSA-N 2 1 341.543 3.644 20 0 EHADMP c1cc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)s2)cs1 ZINC000414785714 1029032737 /nfs/dbraw/zinc/03/27/37/1029032737.db2.gz TUTGPSWWYQQKBO-KBPBESRZSA-N 2 1 333.526 3.693 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)c1cccc(O)c1 ZINC000091974843 1029058286 /nfs/dbraw/zinc/05/82/86/1029058286.db2.gz DGTQYFYCVKDEBL-KRWDZBQOSA-N 2 1 342.483 3.916 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414802901 1029186417 /nfs/dbraw/zinc/18/64/17/1029186417.db2.gz BZFYYWROVIYAEV-UHFFFAOYSA-N 2 1 341.503 3.667 20 0 EHADMP CCc1ccc([C@H](CC)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154486039 1029197844 /nfs/dbraw/zinc/19/78/44/1029197844.db2.gz GWVGILMPLJEMRH-NRFANRHFSA-N 2 1 331.548 3.707 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809529 1029261739 /nfs/dbraw/zinc/26/17/39/1029261739.db2.gz GVBQYTWADHAYOD-CHWSQXEVSA-N 2 1 345.409 3.530 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414809212 1029284238 /nfs/dbraw/zinc/28/42/38/1029284238.db2.gz UZYNFRBMVHFDCR-UHFFFAOYSA-N 2 1 334.467 3.675 20 0 EHADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCC(C)C ZINC000508550810 1029304537 /nfs/dbraw/zinc/30/45/37/1029304537.db2.gz IDRUGRKGPFWEDT-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCC(C)C ZINC000508550810 1029304548 /nfs/dbraw/zinc/30/45/48/1029304548.db2.gz IDRUGRKGPFWEDT-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCC(C)C ZINC000508550810 1029304565 /nfs/dbraw/zinc/30/45/65/1029304565.db2.gz IDRUGRKGPFWEDT-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCC(C)C ZINC000508550810 1029304569 /nfs/dbraw/zinc/30/45/69/1029304569.db2.gz IDRUGRKGPFWEDT-IBGZPJMESA-N 2 1 348.531 3.894 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000154821871 1029330963 /nfs/dbraw/zinc/33/09/63/1029330963.db2.gz LFGPFSJGBMEMKJ-NRFANRHFSA-N 2 1 348.531 3.873 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162722079 1029349611 /nfs/dbraw/zinc/34/96/11/1029349611.db2.gz VEDZGADXJJWCGB-VCBZYWHSSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162722079 1029349618 /nfs/dbraw/zinc/34/96/18/1029349618.db2.gz VEDZGADXJJWCGB-VCBZYWHSSA-N 2 1 343.446 3.831 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245833213 1029349813 /nfs/dbraw/zinc/34/98/13/1029349813.db2.gz CBRDHKGZPTYYLM-PWRODBHTSA-N 2 1 342.527 3.753 20 0 EHADMP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc2)cc1 ZINC000272294612 1029402345 /nfs/dbraw/zinc/40/23/45/1029402345.db2.gz OPCFROBBTFOKGW-NRFANRHFSA-N 2 1 335.451 3.969 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897537039 1029424326 /nfs/dbraw/zinc/42/43/26/1029424326.db2.gz JHXOFZWCJSKVBH-QHAWAJNXSA-N 2 1 342.527 3.714 20 0 EHADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897537039 1029424336 /nfs/dbraw/zinc/42/43/36/1029424336.db2.gz JHXOFZWCJSKVBH-QHAWAJNXSA-N 2 1 342.527 3.714 20 0 EHADMP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396182 1029446433 /nfs/dbraw/zinc/44/64/33/1029446433.db2.gz YUNFDBKUTPTZPI-AZUAARDMSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272396182 1029446438 /nfs/dbraw/zinc/44/64/38/1029446438.db2.gz YUNFDBKUTPTZPI-AZUAARDMSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272396182 1029446445 /nfs/dbraw/zinc/44/64/45/1029446445.db2.gz YUNFDBKUTPTZPI-AZUAARDMSA-N 3 1 343.559 3.750 20 0 EHADMP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1OCc1cccs1 ZINC000414830100 1029473172 /nfs/dbraw/zinc/47/31/72/1029473172.db2.gz AOWWBDIZJGRMMH-INIZCTEOSA-N 2 1 348.512 3.799 20 0 EHADMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000261887558 1029523044 /nfs/dbraw/zinc/52/30/44/1029523044.db2.gz VFWVNWVIWMGKEI-OAQYLSRUSA-N 2 1 340.467 3.542 20 0 EHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000261899199 1029525065 /nfs/dbraw/zinc/52/50/65/1029525065.db2.gz WGXMXEWDACTHNJ-LJQANCHMSA-N 2 1 332.394 3.928 20 0 EHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000261899199 1029525075 /nfs/dbraw/zinc/52/50/75/1029525075.db2.gz WGXMXEWDACTHNJ-LJQANCHMSA-N 2 1 332.394 3.928 20 0 EHADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000155466253 1029531733 /nfs/dbraw/zinc/53/17/33/1029531733.db2.gz MNESKRJGOOCXNB-HNNXBMFYSA-N 2 1 348.450 3.990 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851030 1029550165 /nfs/dbraw/zinc/55/01/65/1029550165.db2.gz OIMQSXODAWWEJL-QFBILLFUSA-N 2 1 331.504 3.518 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272696349 1029570022 /nfs/dbraw/zinc/57/00/22/1029570022.db2.gz XEFDYBGRDVUKGJ-JBACZVJFSA-N 2 1 332.532 3.531 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000513901030 1029570435 /nfs/dbraw/zinc/57/04/35/1029570435.db2.gz KWWSMSYZTUPBRC-JZXOWHBKSA-N 2 1 344.490 3.633 20 0 EHADMP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655764082 1029597953 /nfs/dbraw/zinc/59/79/53/1029597953.db2.gz VKOBOBAKXLJIBO-CRAIPNDOSA-N 2 1 334.529 3.703 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548793256 1029755702 /nfs/dbraw/zinc/75/57/02/1029755702.db2.gz WNMDVCOBMUVWJY-HMXCVIKNSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714089 1029775267 /nfs/dbraw/zinc/77/52/67/1029775267.db2.gz GWVBVGSOSXBNOY-YOLZPYMBSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508714089 1029775271 /nfs/dbraw/zinc/77/52/71/1029775271.db2.gz GWVBVGSOSXBNOY-YOLZPYMBSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720497 1029794290 /nfs/dbraw/zinc/79/42/90/1029794290.db2.gz MZCPLKOEIBVNTK-JPYJTQIMSA-N 2 1 334.507 3.902 20 0 EHADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338222 1029814618 /nfs/dbraw/zinc/81/46/18/1029814618.db2.gz ORJMJZTUWIGRGI-AVRDEDQJSA-N 2 1 338.495 3.976 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836117 1029815687 /nfs/dbraw/zinc/81/56/87/1029815687.db2.gz RXLALQURCZYUMY-SFTDATJTSA-N 2 1 342.458 3.503 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000446836117 1029815698 /nfs/dbraw/zinc/81/56/98/1029815698.db2.gz RXLALQURCZYUMY-SFTDATJTSA-N 2 1 342.458 3.503 20 0 EHADMP C[N@@H+](CCC[NH2+]C1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000162747776 1029867329 /nfs/dbraw/zinc/86/73/29/1029867329.db2.gz OFFROKIZYHUGTC-UHFFFAOYSA-N 2 1 337.511 3.767 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]CCCc2c(F)cccc2Cl)CCCO1 ZINC000446973298 1029876352 /nfs/dbraw/zinc/87/63/52/1029876352.db2.gz CLAKTLBHDROEDN-HNNXBMFYSA-N 2 1 342.886 3.502 20 0 EHADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453218316 1029928521 /nfs/dbraw/zinc/92/85/21/1029928521.db2.gz KMLMUHLDQMHYHD-SRHPJPHMSA-N 2 1 328.500 3.587 20 0 EHADMP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000453267923 1030005793 /nfs/dbraw/zinc/00/57/93/1030005793.db2.gz NRHNDXGXEJKTMZ-RQUKQETFSA-N 2 1 330.516 3.833 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000525709587 1030047497 /nfs/dbraw/zinc/04/74/97/1030047497.db2.gz RENDBEFFBJBFAN-HIFRSBDPSA-N 2 1 340.895 3.710 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000525709587 1030047511 /nfs/dbraw/zinc/04/75/11/1030047511.db2.gz RENDBEFFBJBFAN-HIFRSBDPSA-N 2 1 340.895 3.710 20 0 EHADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453321171 1030099234 /nfs/dbraw/zinc/09/92/34/1030099234.db2.gz NWGVFPLCUMYRPH-AFYVEPGGSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453386750 1030166979 /nfs/dbraw/zinc/16/69/79/1030166979.db2.gz PGSCKOLIGREHAK-UYAOXDASSA-N 2 1 344.543 3.818 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2C)[C@@H](C)C1 ZINC000482022880 1030168437 /nfs/dbraw/zinc/16/84/37/1030168437.db2.gz VEAQSFCHGWSZJJ-PZJWPPBQSA-N 2 1 346.559 3.999 20 0 EHADMP Fc1cccc(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1F ZINC000453362281 1030176056 /nfs/dbraw/zinc/17/60/56/1030176056.db2.gz NTMALFDZHNPFOW-QZTJIDSGSA-N 2 1 334.454 3.846 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278328407 1030183694 /nfs/dbraw/zinc/18/36/94/1030183694.db2.gz FRPDACJFDRAGGQ-BEFAXECRSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278328407 1030183704 /nfs/dbraw/zinc/18/37/04/1030183704.db2.gz FRPDACJFDRAGGQ-BEFAXECRSA-N 2 1 327.447 3.672 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC[C@H]2CCOC2)C3)cc1 ZINC000453389108 1030188806 /nfs/dbraw/zinc/18/88/06/1030188806.db2.gz WTLAFEFOROJXRA-BURNTYAHSA-N 2 1 328.500 3.588 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000531976809 1030191588 /nfs/dbraw/zinc/19/15/88/1030191588.db2.gz PTBJYFPXUHTYMM-TYPHKJRUSA-N 2 1 330.516 3.594 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000531976809 1030191594 /nfs/dbraw/zinc/19/15/94/1030191594.db2.gz PTBJYFPXUHTYMM-TYPHKJRUSA-N 2 1 330.516 3.594 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722748 1030196056 /nfs/dbraw/zinc/19/60/56/1030196056.db2.gz ALXGDEJBUDRWEH-QXAKKESOSA-N 2 1 336.907 3.818 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1-c1ccc(F)cc1 ZINC000453405901 1030218676 /nfs/dbraw/zinc/21/86/76/1030218676.db2.gz QSFSASONUPEKNY-HNNXBMFYSA-N 2 1 344.478 3.845 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453392261 1030240140 /nfs/dbraw/zinc/24/01/40/1030240140.db2.gz YPSJOXXGQGGBTO-CLAROIROSA-N 2 1 342.527 3.836 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000447529997 1030253507 /nfs/dbraw/zinc/25/35/07/1030253507.db2.gz LLUZWEJRPBEXRB-LRSLUSHPSA-N 2 1 342.527 3.977 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447544385 1030279038 /nfs/dbraw/zinc/27/90/38/1030279038.db2.gz URFHYOKVODECRX-YADHBBJMSA-N 2 1 343.559 3.878 20 0 EHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598345 1030335553 /nfs/dbraw/zinc/33/55/53/1030335553.db2.gz HSOXCXORRROGFV-LLLHUVSDSA-N 2 1 326.406 3.970 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000092165574 1030393117 /nfs/dbraw/zinc/39/31/17/1030393117.db2.gz JWMGKISLUNFFRB-UHFFFAOYSA-N 2 1 326.488 3.691 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000092165574 1030393136 /nfs/dbraw/zinc/39/31/36/1030393136.db2.gz JWMGKISLUNFFRB-UHFFFAOYSA-N 2 1 326.488 3.691 20 0 EHADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482461425 1030447443 /nfs/dbraw/zinc/44/74/43/1030447443.db2.gz RUEWVTNANIWAAW-AVRDEDQJSA-N 2 1 338.470 3.967 20 0 EHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188545 1030466259 /nfs/dbraw/zinc/46/62/59/1030466259.db2.gz KGDNAWJFYRYYAI-ZWKOTPCHSA-N 2 1 335.561 3.761 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000532188653 1030466701 /nfs/dbraw/zinc/46/67/01/1030466701.db2.gz YGMZKVOZUZNBNA-AEFFLSMTSA-N 2 1 335.561 3.595 20 0 EHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000093404875 1030609107 /nfs/dbraw/zinc/60/91/07/1030609107.db2.gz XQSZWYLUSLSYOH-MRXNPFEDSA-N 2 1 331.508 3.509 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccnn1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000447932201 1030609191 /nfs/dbraw/zinc/60/91/91/1030609191.db2.gz QEAZBKYTDLOCBF-LJQANCHMSA-N 2 1 348.494 3.873 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccnn1-c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000447932201 1030609200 /nfs/dbraw/zinc/60/92/00/1030609200.db2.gz QEAZBKYTDLOCBF-LJQANCHMSA-N 2 1 348.494 3.873 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000447938326 1030611894 /nfs/dbraw/zinc/61/18/94/1030611894.db2.gz ZUKKAJZFEYTYHW-SFHVURJKSA-N 2 1 326.488 3.617 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563617 1030627801 /nfs/dbraw/zinc/62/78/01/1030627801.db2.gz JLBZOSZWRWQVRY-HXUWFJFHSA-N 2 1 338.499 3.835 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563617 1030627814 /nfs/dbraw/zinc/62/78/14/1030627814.db2.gz JLBZOSZWRWQVRY-HXUWFJFHSA-N 2 1 338.499 3.835 20 0 EHADMP CC(C)CC[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000482671387 1030629036 /nfs/dbraw/zinc/62/90/36/1030629036.db2.gz NGTGOGYHQBGRCP-NRFANRHFSA-N 2 1 332.532 3.628 20 0 EHADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000583761136 1030663330 /nfs/dbraw/zinc/66/33/30/1030663330.db2.gz ICXJMSJLXGJXME-LPHOPBHVSA-N 2 1 327.472 3.835 20 0 EHADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000583761136 1030663336 /nfs/dbraw/zinc/66/33/36/1030663336.db2.gz ICXJMSJLXGJXME-LPHOPBHVSA-N 2 1 327.472 3.835 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)C1 ZINC000151139639 1030698546 /nfs/dbraw/zinc/69/85/46/1030698546.db2.gz VLPJOHDRBPTVQX-DLBZAZTESA-N 2 1 334.504 3.867 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527284329 1030750880 /nfs/dbraw/zinc/75/08/80/1030750880.db2.gz MWGAIZUZKQNXAL-UHFFFAOYSA-N 2 1 345.462 3.939 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000537649691 1030791470 /nfs/dbraw/zinc/79/14/70/1030791470.db2.gz VZMNBBSCMJYKOY-QGZVFWFLSA-N 2 1 332.513 3.834 20 0 EHADMP Cc1ccc(C)c(OCCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000482953501 1030846831 /nfs/dbraw/zinc/84/68/31/1030846831.db2.gz UYTRHHCBTVXXTH-UHFFFAOYSA-N 2 1 341.499 3.761 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482954700 1030847826 /nfs/dbraw/zinc/84/78/26/1030847826.db2.gz XWVQXWQRXVNOMG-NNWRFLSQSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954700 1030847844 /nfs/dbraw/zinc/84/78/44/1030847844.db2.gz XWVQXWQRXVNOMG-NNWRFLSQSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954700 1030847864 /nfs/dbraw/zinc/84/78/64/1030847864.db2.gz XWVQXWQRXVNOMG-NNWRFLSQSA-N 2 1 343.559 3.751 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070573 1030940307 /nfs/dbraw/zinc/94/03/07/1030940307.db2.gz GLJVKHQDGFIVKB-BLLLJJGKSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070573 1030940318 /nfs/dbraw/zinc/94/03/18/1030940318.db2.gz GLJVKHQDGFIVKB-BLLLJJGKSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070573 1030940331 /nfs/dbraw/zinc/94/03/31/1030940331.db2.gz GLJVKHQDGFIVKB-BLLLJJGKSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070573 1030940344 /nfs/dbraw/zinc/94/03/44/1030940344.db2.gz GLJVKHQDGFIVKB-BLLLJJGKSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680867 1030966847 /nfs/dbraw/zinc/96/68/47/1030966847.db2.gz UYGBNMVOWLNIOO-DZGCQCFKSA-N 2 1 328.859 3.663 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680867 1030966850 /nfs/dbraw/zinc/96/68/50/1030966850.db2.gz UYGBNMVOWLNIOO-DZGCQCFKSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680867 1030966858 /nfs/dbraw/zinc/96/68/58/1030966858.db2.gz UYGBNMVOWLNIOO-DZGCQCFKSA-N 2 1 328.859 3.663 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)C[C@@H]1C ZINC000537680867 1030966863 /nfs/dbraw/zinc/96/68/63/1030966863.db2.gz UYGBNMVOWLNIOO-DZGCQCFKSA-N 2 1 328.859 3.663 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)oc2cc1C ZINC000537692665 1030975609 /nfs/dbraw/zinc/97/56/09/1030975609.db2.gz KZFGTQIBWYLZJF-HFSMHLIXSA-N 2 1 342.483 3.733 20 0 EHADMP Cc1cc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)oc2cc1C ZINC000537692665 1030975613 /nfs/dbraw/zinc/97/56/13/1030975613.db2.gz KZFGTQIBWYLZJF-HFSMHLIXSA-N 2 1 342.483 3.733 20 0 EHADMP Cc1cccc(N2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)[nH+]1 ZINC000483167903 1031019053 /nfs/dbraw/zinc/01/90/53/1031019053.db2.gz KODYRKSOCZSFOM-UHFFFAOYSA-N 2 1 325.500 3.773 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000551083502 1031025172 /nfs/dbraw/zinc/02/51/72/1031025172.db2.gz FDMZPKDWQKQDIW-TUFLPTIASA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000551083502 1031025192 /nfs/dbraw/zinc/02/51/92/1031025192.db2.gz FDMZPKDWQKQDIW-TUFLPTIASA-N 2 1 330.516 3.743 20 0 EHADMP C[C@H](CC[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000194610635 1031084837 /nfs/dbraw/zinc/08/48/37/1031084837.db2.gz DVZINOXUJUWOQA-GCJKJVERSA-N 2 1 338.495 3.537 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000483316106 1031093304 /nfs/dbraw/zinc/09/33/04/1031093304.db2.gz SAGRZWQMBMGEIS-ZJOUEHCJSA-N 2 1 332.532 3.825 20 0 EHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@@H](C)O1 ZINC000483299212 1031096221 /nfs/dbraw/zinc/09/62/21/1031096221.db2.gz UDXRFQWPFLOPJO-ZIAGYGMSSA-N 2 1 342.936 3.723 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000483310377 1031106520 /nfs/dbraw/zinc/10/65/20/1031106520.db2.gz CNYLQDHAANGYFU-AZUAARDMSA-N 2 1 332.532 3.818 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527658556 1031118004 /nfs/dbraw/zinc/11/80/04/1031118004.db2.gz XBJHRTKANHZQKE-BDTNDASRSA-N 2 1 344.543 3.929 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)CC2)oc1C ZINC000527658961 1031120012 /nfs/dbraw/zinc/12/00/12/1031120012.db2.gz MWLPXLPXKSSFIV-CCKFTAQKSA-N 2 1 331.504 3.528 20 0 EHADMP CC(C)C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000551267411 1031180735 /nfs/dbraw/zinc/18/07/35/1031180735.db2.gz OPIXIAVKFDKWAJ-HRTMPFAESA-N 2 1 345.575 3.996 20 0 EHADMP c1ccc(C[NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000527751075 1031205751 /nfs/dbraw/zinc/20/57/51/1031205751.db2.gz GOQVRBMVUJCQQV-JOCHJYFZSA-N 2 1 341.543 3.648 20 0 EHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251934685 1031339485 /nfs/dbraw/zinc/33/94/85/1031339485.db2.gz ZPSJXBIFCPIVEL-UHOFOFEASA-N 2 1 325.294 3.959 20 0 EHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251934685 1031339470 /nfs/dbraw/zinc/33/94/70/1031339470.db2.gz ZPSJXBIFCPIVEL-UHOFOFEASA-N 2 1 325.294 3.959 20 0 EHADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527871203 1031356564 /nfs/dbraw/zinc/35/65/64/1031356564.db2.gz SXOQVEGRDSJIMT-VWYCJHECSA-N 2 1 347.247 3.861 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000527982154 1031519954 /nfs/dbraw/zinc/51/99/54/1031519954.db2.gz QWSXOIYKYOOKLQ-MEBBXXQBSA-N 2 1 347.247 3.547 20 0 EHADMP CCc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000475724205 1031605624 /nfs/dbraw/zinc/60/56/24/1031605624.db2.gz RXRIZEQNPQZYJX-ZYSHUDEJSA-N 2 1 336.907 3.586 20 0 EHADMP CCc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000475724205 1031605631 /nfs/dbraw/zinc/60/56/31/1031605631.db2.gz RXRIZEQNPQZYJX-ZYSHUDEJSA-N 2 1 336.907 3.586 20 0 EHADMP C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000528036864 1031618428 /nfs/dbraw/zinc/61/84/28/1031618428.db2.gz ZAOSDVYSMMHKKZ-GJZGRUSLSA-N 2 1 331.435 3.573 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000178159453 1031662633 /nfs/dbraw/zinc/66/26/33/1031662633.db2.gz JUJHOCBFIJJXPH-NWANDNLSSA-N 2 1 328.378 3.863 20 0 EHADMP CC(C)n1ccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158833107 1031669343 /nfs/dbraw/zinc/66/93/43/1031669343.db2.gz JEWXMPPJOCERDS-SFHVURJKSA-N 2 1 332.536 3.941 20 0 EHADMP CC(C)n1ccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158833107 1031669359 /nfs/dbraw/zinc/66/93/59/1031669359.db2.gz JEWXMPPJOCERDS-SFHVURJKSA-N 2 1 332.536 3.941 20 0 EHADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OCC(C)C ZINC000343625512 1031692272 /nfs/dbraw/zinc/69/22/72/1031692272.db2.gz RJXRVMAQKWNGDS-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OCC(C)C ZINC000343625512 1031692283 /nfs/dbraw/zinc/69/22/83/1031692283.db2.gz RJXRVMAQKWNGDS-UHFFFAOYSA-N 2 1 334.504 3.648 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3F)CC2)nc(C)[nH+]1 ZINC000178696049 1031714197 /nfs/dbraw/zinc/71/41/97/1031714197.db2.gz FXHRMOADZLWHAK-CYBMUJFWSA-N 2 1 346.425 3.691 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000178705126 1031717472 /nfs/dbraw/zinc/71/74/72/1031717472.db2.gz UUQIOEAYYLHTCG-DNVCBOLYSA-N 2 1 327.472 3.948 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000178917674 1031720957 /nfs/dbraw/zinc/72/09/57/1031720957.db2.gz PPYMILCQZICBGU-OAHLLOKOSA-N 2 1 338.430 3.819 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC1CC[NH2+]CC1 ZINC000178959431 1031722936 /nfs/dbraw/zinc/72/29/36/1031722936.db2.gz FFOUENSAPAYGCN-UHFFFAOYSA-N 2 1 340.515 3.721 20 0 EHADMP CC(C)[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000537709653 1031844755 /nfs/dbraw/zinc/84/47/55/1031844755.db2.gz IODISEOPPCHVLK-GOSISDBHSA-N 2 1 329.532 3.695 20 0 EHADMP C[C@H]([NH2+][C@H]1CCOC12CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898112056 1033335356 /nfs/dbraw/zinc/33/53/56/1033335356.db2.gz OQIPYCQRNVDSSD-SXLOBPIMSA-N 2 1 328.500 3.588 20 0 EHADMP CCCC1CCC(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000685457962 1033346955 /nfs/dbraw/zinc/34/69/55/1033346955.db2.gz UVLOXRKGEJMVRZ-GZNCHQMQSA-N 2 1 335.580 3.693 20 0 EHADMP C[C@H](CC1CCCCC1)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457486 1033348181 /nfs/dbraw/zinc/34/81/81/1033348181.db2.gz ZZLYFRBJENCCIN-NQIIRXRSSA-N 2 1 335.580 3.693 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574754824 1033357309 /nfs/dbraw/zinc/35/73/09/1033357309.db2.gz PWFCJYWXQOIXMV-OAQYLSRUSA-N 3 1 341.543 3.505 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574754824 1033357318 /nfs/dbraw/zinc/35/73/18/1033357318.db2.gz PWFCJYWXQOIXMV-OAQYLSRUSA-N 3 1 341.543 3.505 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000158047733 1033363514 /nfs/dbraw/zinc/36/35/14/1033363514.db2.gz QSTHKIBLALFRBS-LJQANCHMSA-N 2 1 336.907 3.806 20 0 EHADMP C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289558230 1033501002 /nfs/dbraw/zinc/50/10/02/1033501002.db2.gz YGPANGVCKGLWLN-VLCRHTCISA-N 2 1 338.495 3.610 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535701 1033509331 /nfs/dbraw/zinc/50/93/31/1033509331.db2.gz VKPDFEBCUBJSTI-CZUORRHYSA-N 2 1 325.294 3.832 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000044535699 1033509490 /nfs/dbraw/zinc/50/94/90/1033509490.db2.gz VKPDFEBCUBJSTI-CJNGLKHVSA-N 2 1 325.294 3.832 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2C2CC2)CC1)CC1CC1 ZINC000892403897 1033528488 /nfs/dbraw/zinc/52/84/88/1033528488.db2.gz TZGARGVKBNIJKJ-UHFFFAOYSA-N 2 1 344.547 3.632 20 0 EHADMP C[C@@H]1C[C@@H](NCc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338339 1033560130 /nfs/dbraw/zinc/56/01/30/1033560130.db2.gz RGTFGWDWDQPNMJ-APWZRJJASA-N 2 1 338.451 3.558 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CCN1Cc1ccccc1 ZINC000080338339 1033560137 /nfs/dbraw/zinc/56/01/37/1033560137.db2.gz RGTFGWDWDQPNMJ-APWZRJJASA-N 2 1 338.451 3.558 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000574897908 1033675744 /nfs/dbraw/zinc/67/57/44/1033675744.db2.gz JZSCOSICNJOVQT-UHFFFAOYSA-N 2 1 341.543 3.505 20 0 EHADMP CN(Cc1ccccc1)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000574897908 1033675749 /nfs/dbraw/zinc/67/57/49/1033675749.db2.gz JZSCOSICNJOVQT-UHFFFAOYSA-N 2 1 341.543 3.505 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046007935 1033709790 /nfs/dbraw/zinc/70/97/90/1033709790.db2.gz FYCNIJLSNSZWFC-KRWDZBQOSA-N 2 1 346.519 3.524 20 0 EHADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655769715 1033788228 /nfs/dbraw/zinc/78/82/28/1033788228.db2.gz MXBYMQGMQMNMHN-FQEVSTJZSA-N 2 1 344.543 3.814 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658142866 1033987605 /nfs/dbraw/zinc/98/76/05/1033987605.db2.gz FDOSFVDXZOONIZ-VXKWHMMOSA-N 2 1 338.495 3.884 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658142739 1033987681 /nfs/dbraw/zinc/98/76/81/1033987681.db2.gz WGMZKFJGNXITHE-YJBOKZPZSA-N 2 1 344.524 3.728 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145215 1033992172 /nfs/dbraw/zinc/99/21/72/1033992172.db2.gz QGFWEJCNVPHLAW-FOIQADDNSA-N 2 1 344.886 3.757 20 0 EHADMP Cc1cc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc(C)n1 ZINC000358748226 1033995115 /nfs/dbraw/zinc/99/51/15/1033995115.db2.gz BTNPRNBXZXVZEX-MRXNPFEDSA-N 2 1 348.853 3.557 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C)cc1 ZINC000658139146 1034004504 /nfs/dbraw/zinc/00/45/04/1034004504.db2.gz LGQGTUNLBKIGNA-FGZHOGPDSA-N 2 1 338.495 3.803 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C)cc1 ZINC000658139148 1034005654 /nfs/dbraw/zinc/00/56/54/1034005654.db2.gz LGQGTUNLBKIGNA-YADHBBJMSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000623471853 1034033919 /nfs/dbraw/zinc/03/39/19/1034033919.db2.gz WMVSDLXNCGICHX-GIVPXCGWSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471853 1034033932 /nfs/dbraw/zinc/03/39/32/1034033932.db2.gz WMVSDLXNCGICHX-GIVPXCGWSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471853 1034033941 /nfs/dbraw/zinc/03/39/41/1034033941.db2.gz WMVSDLXNCGICHX-GIVPXCGWSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCN(C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000623471853 1034033957 /nfs/dbraw/zinc/03/39/57/1034033957.db2.gz WMVSDLXNCGICHX-GIVPXCGWSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCN(C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000623471853 1034033969 /nfs/dbraw/zinc/03/39/69/1034033969.db2.gz WMVSDLXNCGICHX-GIVPXCGWSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658236624 1034102006 /nfs/dbraw/zinc/10/20/06/1034102006.db2.gz KCOPZFHPWHSBGE-BPXKWBHBSA-N 2 1 336.479 3.880 20 0 EHADMP Cc1cc(C[N@@H+](Cc2ccccc2)C2CCC([NH+](C)C)CC2)on1 ZINC001168326976 1034155667 /nfs/dbraw/zinc/15/56/67/1034155667.db2.gz GXYOAMNQGSHMTI-UHFFFAOYSA-N 2 1 327.472 3.858 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2CCC([NH+](C)C)CC2)n1 ZINC001168327406 1034166048 /nfs/dbraw/zinc/16/60/48/1034166048.db2.gz MQXBSNOIYDTOIT-IVMQYODDSA-N 2 1 326.488 3.779 20 0 EHADMP FCC1(CF)CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000658316598 1034192052 /nfs/dbraw/zinc/19/20/52/1034192052.db2.gz GALGAMPBOFRXFD-SFHVURJKSA-N 2 1 348.481 3.966 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120005889 1034273619 /nfs/dbraw/zinc/27/36/19/1034273619.db2.gz WOZNYBYFXYYMIS-APWZRJJASA-N 2 1 344.499 3.968 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120005889 1034273649 /nfs/dbraw/zinc/27/36/49/1034273649.db2.gz WOZNYBYFXYYMIS-APWZRJJASA-N 2 1 344.499 3.968 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168333609 1034281189 /nfs/dbraw/zinc/28/11/89/1034281189.db2.gz AOEBWLBKIJDLJG-MHJFOBGBSA-N 2 1 344.499 3.873 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000450468487 1034383407 /nfs/dbraw/zinc/38/34/07/1034383407.db2.gz OGQJVRPQCJQFSN-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468487 1034383414 /nfs/dbraw/zinc/38/34/14/1034383414.db2.gz OGQJVRPQCJQFSN-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468487 1034383429 /nfs/dbraw/zinc/38/34/29/1034383429.db2.gz OGQJVRPQCJQFSN-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450468487 1034383392 /nfs/dbraw/zinc/38/33/92/1034383392.db2.gz OGQJVRPQCJQFSN-CZUORRHYSA-N 2 1 325.294 3.672 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@H]1c1ccccc1 ZINC000340207430 1034467891 /nfs/dbraw/zinc/46/78/91/1034467891.db2.gz YHQFSROQDKVPIN-IRLDBZIGSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@H]1c1ccccc1 ZINC000340207430 1034467900 /nfs/dbraw/zinc/46/79/00/1034467900.db2.gz YHQFSROQDKVPIN-IRLDBZIGSA-N 2 1 346.478 3.797 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594612 1034566930 /nfs/dbraw/zinc/56/69/30/1034566930.db2.gz CWGKVNYKIORENT-FXAWDEMLSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594612 1034566936 /nfs/dbraw/zinc/56/69/36/1034566936.db2.gz CWGKVNYKIORENT-FXAWDEMLSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594612 1034566941 /nfs/dbraw/zinc/56/69/41/1034566941.db2.gz CWGKVNYKIORENT-FXAWDEMLSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594612 1034566951 /nfs/dbraw/zinc/56/69/51/1034566951.db2.gz CWGKVNYKIORENT-FXAWDEMLSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594612 1034566953 /nfs/dbraw/zinc/56/69/53/1034566953.db2.gz CWGKVNYKIORENT-FXAWDEMLSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594612 1034566961 /nfs/dbraw/zinc/56/69/61/1034566961.db2.gz CWGKVNYKIORENT-FXAWDEMLSA-N 2 1 344.474 3.737 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000375895000 1034852364 /nfs/dbraw/zinc/85/23/64/1034852364.db2.gz IMDPKOIZQJSTPB-VFUGHAIPSA-N 2 1 328.500 3.587 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000375905552 1034882176 /nfs/dbraw/zinc/88/21/76/1034882176.db2.gz SWVABHBSZDUIAQ-APWZRJJASA-N 2 1 335.923 3.501 20 0 EHADMP C[NH+](C)CC1(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000584484273 1035008208 /nfs/dbraw/zinc/00/82/08/1035008208.db2.gz WYIYMVGRMHTPTR-WOJBJXKFSA-N 2 1 329.532 3.534 20 0 EHADMP CN1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C[C@@H]1c1ccccc1 ZINC000584484273 1035008218 /nfs/dbraw/zinc/00/82/18/1035008218.db2.gz WYIYMVGRMHTPTR-WOJBJXKFSA-N 3 1 329.532 3.534 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785535 1035230976 /nfs/dbraw/zinc/23/09/76/1035230976.db2.gz RJECXTFJDTVXAP-KRWDZBQOSA-N 2 1 344.421 3.556 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785535 1035230980 /nfs/dbraw/zinc/23/09/80/1035230980.db2.gz RJECXTFJDTVXAP-KRWDZBQOSA-N 2 1 344.421 3.556 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414057865 1035417785 /nfs/dbraw/zinc/41/77/85/1035417785.db2.gz GLDRVYWGNDKWIO-MRXNPFEDSA-N 2 1 326.488 3.520 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414057865 1035417786 /nfs/dbraw/zinc/41/77/86/1035417786.db2.gz GLDRVYWGNDKWIO-MRXNPFEDSA-N 2 1 326.488 3.520 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142956 1035452689 /nfs/dbraw/zinc/45/26/89/1035452689.db2.gz IUXJJGRDDPYTOW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142956 1035452692 /nfs/dbraw/zinc/45/26/92/1035452692.db2.gz IUXJJGRDDPYTOW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142956 1035452694 /nfs/dbraw/zinc/45/26/94/1035452694.db2.gz IUXJJGRDDPYTOW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142956 1035452696 /nfs/dbraw/zinc/45/26/96/1035452696.db2.gz IUXJJGRDDPYTOW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000531142956 1035452699 /nfs/dbraw/zinc/45/26/99/1035452699.db2.gz IUXJJGRDDPYTOW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)[C@H]3C[C@H]3C)CC2)cs1 ZINC000414113054 1035572367 /nfs/dbraw/zinc/57/23/67/1035572367.db2.gz KAVKDKOUCLUNAW-FHLIZLRMSA-N 2 1 335.561 3.942 20 0 EHADMP Cc1ccc(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168379666 1035603129 /nfs/dbraw/zinc/60/31/29/1035603129.db2.gz NJWSWNYOQZGRTE-UHFFFAOYSA-N 2 1 328.500 3.713 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C[C@H](C)O1 ZINC000571898331 1035779316 /nfs/dbraw/zinc/77/93/16/1035779316.db2.gz MJSPFCVMWSDJAO-FNCFORQESA-N 2 1 328.500 3.574 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1C ZINC000414174157 1035891173 /nfs/dbraw/zinc/89/11/73/1035891173.db2.gz XUOGAFASNIPNQJ-DKUWSORSSA-N 2 1 335.495 3.984 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1C ZINC000414174157 1035891193 /nfs/dbraw/zinc/89/11/93/1035891193.db2.gz XUOGAFASNIPNQJ-DKUWSORSSA-N 2 1 335.495 3.984 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000414176461 1035905977 /nfs/dbraw/zinc/90/59/77/1035905977.db2.gz JAYAGPRVBOIICZ-DOTOQJQBSA-N 2 1 344.478 3.702 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177093 1035911674 /nfs/dbraw/zinc/91/16/74/1035911674.db2.gz JNKUYDBYHVCYHB-ZIAGYGMSSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000414184795 1035945438 /nfs/dbraw/zinc/94/54/38/1035945438.db2.gz OIOXWNDKWJRXGF-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000464067058 1036085362 /nfs/dbraw/zinc/08/53/62/1036085362.db2.gz SYRMYZNDLMDALA-NJDAHSKKSA-N 2 1 330.516 3.823 20 0 EHADMP CO[C@@](C)([C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000414245563 1036261666 /nfs/dbraw/zinc/26/16/66/1036261666.db2.gz UATOTSXXPJUCSD-OSKXVONFSA-N 2 1 342.527 3.975 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000414245932 1036262814 /nfs/dbraw/zinc/26/28/14/1036262814.db2.gz UATOTSXXPJUCSD-SSCXBUAASA-N 2 1 342.527 3.975 20 0 EHADMP CC1CC[NH+](CCCC[NH2+]Cc2csc(C(F)(F)F)n2)CC1 ZINC000892588622 1036352003 /nfs/dbraw/zinc/35/20/03/1036352003.db2.gz HYGJYMXWEXIJPE-UHFFFAOYSA-N 2 1 335.439 3.764 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168389557 1036370396 /nfs/dbraw/zinc/37/03/96/1036370396.db2.gz RJWDIHNYOHAGNM-FQEVSTJZSA-N 2 1 342.527 3.824 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000191455876 1036389392 /nfs/dbraw/zinc/38/93/92/1036389392.db2.gz LSXAEEJSBTZZHV-FQEVSTJZSA-N 2 1 349.950 3.893 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000472573912 1036411071 /nfs/dbraw/zinc/41/10/71/1036411071.db2.gz LNLNYOUKNSMICE-RTWAWAEBSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000472573912 1036411082 /nfs/dbraw/zinc/41/10/82/1036411082.db2.gz LNLNYOUKNSMICE-RTWAWAEBSA-N 2 1 330.516 3.585 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000472573912 1036411089 /nfs/dbraw/zinc/41/10/89/1036411089.db2.gz LNLNYOUKNSMICE-RTWAWAEBSA-N 2 1 330.516 3.585 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000156998354 1036412152 /nfs/dbraw/zinc/41/21/52/1036412152.db2.gz MWCSVXAFVHFKSU-NYVOZVTQSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000156998354 1036412157 /nfs/dbraw/zinc/41/21/57/1036412157.db2.gz MWCSVXAFVHFKSU-NYVOZVTQSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156998354 1036412167 /nfs/dbraw/zinc/41/21/67/1036412167.db2.gz MWCSVXAFVHFKSU-NYVOZVTQSA-N 2 1 338.495 3.705 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156998354 1036412174 /nfs/dbraw/zinc/41/21/74/1036412174.db2.gz MWCSVXAFVHFKSU-NYVOZVTQSA-N 2 1 338.495 3.705 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Oc3ccccc3)o2)C1 ZINC000574960890 1036425596 /nfs/dbraw/zinc/42/55/96/1036425596.db2.gz FDSVHOCFDAOZRW-APWZRJJASA-N 2 1 326.440 3.988 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Oc3ccccc3)o2)C1 ZINC000574960890 1036425602 /nfs/dbraw/zinc/42/56/02/1036425602.db2.gz FDSVHOCFDAOZRW-APWZRJJASA-N 2 1 326.440 3.988 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Oc3ccccc3)o2)C1 ZINC000574960890 1036425609 /nfs/dbraw/zinc/42/56/09/1036425609.db2.gz FDSVHOCFDAOZRW-APWZRJJASA-N 2 1 326.440 3.988 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Oc3ccccc3)o2)C1 ZINC000574960890 1036425615 /nfs/dbraw/zinc/42/56/15/1036425615.db2.gz FDSVHOCFDAOZRW-APWZRJJASA-N 2 1 326.440 3.988 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000192175965 1036484923 /nfs/dbraw/zinc/48/49/23/1036484923.db2.gz DSFAHQLDXGWKOU-OAHLLOKOSA-N 2 1 326.469 3.873 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398136605 1036537803 /nfs/dbraw/zinc/53/78/03/1036537803.db2.gz LFEKZIZTPMLONW-HRAATJIYSA-N 2 1 342.458 3.835 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398136605 1036537812 /nfs/dbraw/zinc/53/78/12/1036537812.db2.gz LFEKZIZTPMLONW-HRAATJIYSA-N 2 1 342.458 3.835 20 0 EHADMP CCCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000192920037 1036553295 /nfs/dbraw/zinc/55/32/95/1036553295.db2.gz OUACQMXRKPXDTQ-HXUWFJFHSA-N 2 1 340.515 3.522 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)s1 ZINC000541742640 1036611762 /nfs/dbraw/zinc/61/17/62/1036611762.db2.gz IHNCMXQQNDGEPH-NVXWUHKLSA-N 2 1 330.497 3.522 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000541744634 1036614331 /nfs/dbraw/zinc/61/43/31/1036614331.db2.gz UKWGFNVUFUWSHF-ICSRJNTNSA-N 2 1 349.950 3.593 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769515 1036638459 /nfs/dbraw/zinc/63/84/59/1036638459.db2.gz IJJNPICHZFCQRU-SXLOBPIMSA-N 2 1 340.515 3.762 20 0 EHADMP Cc1ncsc1C[N@@H+](CCCc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000503918329 1036672725 /nfs/dbraw/zinc/67/27/25/1036672725.db2.gz QWEYSEHUVAYEGM-QGZVFWFLSA-N 2 1 347.503 3.635 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCSCc2ccccc2)C1 ZINC000535583650 1036679682 /nfs/dbraw/zinc/67/96/82/1036679682.db2.gz UBTWQBGFDYDHDP-HXUWFJFHSA-N 2 1 332.557 3.974 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000535583650 1036679691 /nfs/dbraw/zinc/67/96/91/1036679691.db2.gz UBTWQBGFDYDHDP-HXUWFJFHSA-N 2 1 332.557 3.974 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000535583650 1036679697 /nfs/dbraw/zinc/67/96/97/1036679697.db2.gz UBTWQBGFDYDHDP-HXUWFJFHSA-N 2 1 332.557 3.974 20 0 EHADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472587490 1036695376 /nfs/dbraw/zinc/69/53/76/1036695376.db2.gz XQBAEKMNDZWUHM-TZIWHRDSSA-N 2 1 331.548 3.703 20 0 EHADMP CSC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000590053603 1036739420 /nfs/dbraw/zinc/73/94/20/1036739420.db2.gz SZPONBDHCDAVRJ-IBGZPJMESA-N 2 1 348.556 3.736 20 0 EHADMP C[N@H+](CCOc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842313 1036882760 /nfs/dbraw/zinc/88/27/60/1036882760.db2.gz GFHGYOXCIZPTIL-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[N@@H+](CCOc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842313 1036882791 /nfs/dbraw/zinc/88/27/91/1036882791.db2.gz GFHGYOXCIZPTIL-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842313 1036882825 /nfs/dbraw/zinc/88/28/25/1036882825.db2.gz GFHGYOXCIZPTIL-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[NH+](CCOc1ccccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842313 1036882852 /nfs/dbraw/zinc/88/28/52/1036882852.db2.gz GFHGYOXCIZPTIL-LJQANCHMSA-N 2 1 342.458 3.658 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C)(C)CC3)c2)CCO1 ZINC000462361271 1036884924 /nfs/dbraw/zinc/88/49/24/1036884924.db2.gz RWRFLHBUFRREMA-QGZVFWFLSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C)(C)CC3)c2)CCO1 ZINC000462361271 1036884958 /nfs/dbraw/zinc/88/49/58/1036884958.db2.gz RWRFLHBUFRREMA-QGZVFWFLSA-N 2 1 330.516 3.966 20 0 EHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539544525 1036896921 /nfs/dbraw/zinc/89/69/21/1036896921.db2.gz HNKBBWPRNKHGQX-MRXNPFEDSA-N 2 1 333.495 3.660 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2csc(Br)c2)C1 ZINC000060978693 1036975477 /nfs/dbraw/zinc/97/54/77/1036975477.db2.gz NQCAWUGLOPUAKC-BETUJISGSA-N 2 1 345.350 3.968 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2csc(Br)c2)C1 ZINC000060978693 1036975498 /nfs/dbraw/zinc/97/54/98/1036975498.db2.gz NQCAWUGLOPUAKC-BETUJISGSA-N 2 1 345.350 3.968 20 0 EHADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000414370497 1037053344 /nfs/dbraw/zinc/05/33/44/1037053344.db2.gz WLDILIMVQRXTLX-YADHBBJMSA-N 2 1 341.543 3.819 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543030 1037065781 /nfs/dbraw/zinc/06/57/81/1037065781.db2.gz GVROSUUAZLPGMU-OALUTQOASA-N 2 1 338.499 3.597 20 0 EHADMP c1cncc(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)c1 ZINC000647543770 1037094491 /nfs/dbraw/zinc/09/44/91/1037094491.db2.gz RTHMYYNZVQVRCO-FGZHOGPDSA-N 2 1 335.495 3.960 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000647544121 1037097697 /nfs/dbraw/zinc/09/76/97/1037097697.db2.gz XBULSMWOAXLSRW-MOPGFXCFSA-N 2 1 344.547 3.679 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccnn1-c1ccccc1 ZINC000467314148 1037149587 /nfs/dbraw/zinc/14/95/87/1037149587.db2.gz SUKUXPDPRCMCDP-QZTJIDSGSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccnn1-c1ccccc1 ZINC000467314148 1037149598 /nfs/dbraw/zinc/14/95/98/1037149598.db2.gz SUKUXPDPRCMCDP-QZTJIDSGSA-N 2 1 326.488 3.787 20 0 EHADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(OC2CCCC2)c1 ZINC000539819306 1037238340 /nfs/dbraw/zinc/23/83/40/1037238340.db2.gz WXZLTGAEHSJNCV-LJQANCHMSA-N 2 1 328.500 3.926 20 0 EHADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(OC2CCCC2)c1 ZINC000539819306 1037238353 /nfs/dbraw/zinc/23/83/53/1037238353.db2.gz WXZLTGAEHSJNCV-LJQANCHMSA-N 2 1 328.500 3.926 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442183 1037291545 /nfs/dbraw/zinc/29/15/45/1037291545.db2.gz FVSNMRFFLGXPRL-CVEARBPZSA-N 2 1 349.569 3.757 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000532442382 1037292156 /nfs/dbraw/zinc/29/21/56/1037292156.db2.gz ZWMRXPXVYDBHIP-CVEARBPZSA-N 2 1 349.569 3.839 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789265 1037400672 /nfs/dbraw/zinc/40/06/72/1037400672.db2.gz FJBAUOHEWMNVQP-QZTJIDSGSA-N 2 1 332.488 3.604 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)sc1Br ZINC000532472462 1037421045 /nfs/dbraw/zinc/42/10/45/1037421045.db2.gz ZBJVDRNFRYNQOR-UHFFFAOYSA-N 2 1 343.334 3.926 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000462803020 1037421436 /nfs/dbraw/zinc/42/14/36/1037421436.db2.gz PHXRWBIJVFFLEB-LPHOPBHVSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000462803020 1037421459 /nfs/dbraw/zinc/42/14/59/1037421459.db2.gz PHXRWBIJVFFLEB-LPHOPBHVSA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000462803020 1037421474 /nfs/dbraw/zinc/42/14/74/1037421474.db2.gz PHXRWBIJVFFLEB-LPHOPBHVSA-N 2 1 346.515 3.804 20 0 EHADMP CC(C)(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532538690 1037569475 /nfs/dbraw/zinc/56/94/75/1037569475.db2.gz VMGOLUHDJXVZTK-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532538690 1037569485 /nfs/dbraw/zinc/56/94/85/1037569485.db2.gz VMGOLUHDJXVZTK-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532538690 1037569498 /nfs/dbraw/zinc/56/94/98/1037569498.db2.gz VMGOLUHDJXVZTK-VQTJNVASSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000540139524 1037610969 /nfs/dbraw/zinc/61/09/69/1037610969.db2.gz AJVDPHFAYKLNBK-WLRLJWMZSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000493924044 1037723206 /nfs/dbraw/zinc/72/32/06/1037723206.db2.gz GICCDJRBXORTHA-PGRDOPGGSA-N 2 1 338.495 3.801 20 0 EHADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000493924044 1037723223 /nfs/dbraw/zinc/72/32/23/1037723223.db2.gz GICCDJRBXORTHA-PGRDOPGGSA-N 2 1 338.495 3.801 20 0 EHADMP COC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942431 1037736136 /nfs/dbraw/zinc/73/61/36/1037736136.db2.gz ANCYQIKHGMHRPM-IRXDYDNUSA-N 2 1 326.912 3.984 20 0 EHADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463129436 1037780729 /nfs/dbraw/zinc/78/07/29/1037780729.db2.gz CBTSXRZGBYLYPD-PZJWPPBQSA-N 2 1 331.548 3.748 20 0 EHADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000463143619 1037791310 /nfs/dbraw/zinc/79/13/10/1037791310.db2.gz IGLVBKITZBWPMC-CUXKYVRBSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000463143619 1037791325 /nfs/dbraw/zinc/79/13/25/1037791325.db2.gz IGLVBKITZBWPMC-CUXKYVRBSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000463143619 1037791345 /nfs/dbraw/zinc/79/13/45/1037791345.db2.gz IGLVBKITZBWPMC-CUXKYVRBSA-N 2 1 343.559 3.892 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000463206946 1037878433 /nfs/dbraw/zinc/87/84/33/1037878433.db2.gz RFKQPLQVJWNNEB-JTHBVZDNSA-N 2 1 334.507 3.914 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182849129 1037919963 /nfs/dbraw/zinc/91/99/63/1037919963.db2.gz HEVYDBBMVQNMME-SFHVURJKSA-N 2 1 330.516 3.655 20 0 EHADMP COCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183133721 1037933605 /nfs/dbraw/zinc/93/36/05/1037933605.db2.gz GLLBLDCFRLMPGV-PCCBWWKXSA-N 2 1 330.516 3.693 20 0 EHADMP CCOc1cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000124894354 1038249674 /nfs/dbraw/zinc/24/96/74/1038249674.db2.gz HJMKUNWAFREMGG-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000124894354 1038249688 /nfs/dbraw/zinc/24/96/88/1038249688.db2.gz HJMKUNWAFREMGG-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP CCOc1cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000124894354 1038249697 /nfs/dbraw/zinc/24/96/97/1038249697.db2.gz HJMKUNWAFREMGG-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP CCOc1cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000124894354 1038249714 /nfs/dbraw/zinc/24/97/14/1038249714.db2.gz HJMKUNWAFREMGG-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168258024 1038335519 /nfs/dbraw/zinc/33/55/19/1038335519.db2.gz WOUFVHMBTLUWGB-NJDAHSKKSA-N 2 1 342.527 3.925 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000538796598 1038531815 /nfs/dbraw/zinc/53/18/15/1038531815.db2.gz MNEYUCDAHPYAPR-BHIYHBOVSA-N 2 1 336.907 3.640 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000538796598 1038531826 /nfs/dbraw/zinc/53/18/26/1038531826.db2.gz MNEYUCDAHPYAPR-BHIYHBOVSA-N 2 1 336.907 3.640 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000539061390 1038661284 /nfs/dbraw/zinc/66/12/84/1038661284.db2.gz LXWPQYFJTSJMRD-KKUMJFAQSA-N 2 1 342.936 3.820 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000539070324 1038670310 /nfs/dbraw/zinc/67/03/10/1038670310.db2.gz JWAJZFXRJYAWRF-KSZLIROESA-N 2 1 330.516 3.715 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000149642383 1038686024 /nfs/dbraw/zinc/68/60/24/1038686024.db2.gz TYXJXIFZYGWBQZ-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000552062256 1038929908 /nfs/dbraw/zinc/92/99/08/1038929908.db2.gz QRQKDYQJRMMZKB-FNAHDJPLSA-N 2 1 342.527 3.933 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000552098998 1038984698 /nfs/dbraw/zinc/98/46/98/1038984698.db2.gz VSDHBHLLLYGYBO-GOEBONIOSA-N 2 1 326.406 3.972 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000480059994 1039106207 /nfs/dbraw/zinc/10/62/07/1039106207.db2.gz MYYMOZPJFKEWMB-CQSZACIVSA-N 2 1 331.435 3.551 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)O1 ZINC000485465702 1039110280 /nfs/dbraw/zinc/11/02/80/1039110280.db2.gz JCNCMQYCNVRAMQ-HXUWFJFHSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552252304 1039131156 /nfs/dbraw/zinc/13/11/56/1039131156.db2.gz IBTIEHDHAZHLEY-ATLSCFEFSA-N 2 1 336.907 3.960 20 0 EHADMP Cn1cc(-c2ccc(C[NH2+]CCC[N@@H+](C)C3CCCCC3)s2)cn1 ZINC000509532052 1039140662 /nfs/dbraw/zinc/14/06/62/1039140662.db2.gz HPYJAKSSNANMGB-UHFFFAOYSA-N 2 1 346.544 3.893 20 0 EHADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000488424122 1039162908 /nfs/dbraw/zinc/16/29/08/1039162908.db2.gz RFJOSAJCNVYXCC-QGZVFWFLSA-N 2 1 349.950 3.891 20 0 EHADMP Fc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000898518019 1039187522 /nfs/dbraw/zinc/18/75/22/1039187522.db2.gz GBTSMKXTDOXNQM-AABGKKOBSA-N 2 1 339.458 3.611 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@H](C)C1 ZINC000927037471 1039214240 /nfs/dbraw/zinc/21/42/40/1039214240.db2.gz MXHYSPMMZQJTFM-KURKYZTESA-N 2 1 340.577 3.531 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000667629585 1039224385 /nfs/dbraw/zinc/22/43/85/1039224385.db2.gz IUKALZUIUYVZAD-LBPRGKRZSA-N 2 1 337.261 3.579 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000667629585 1039224395 /nfs/dbraw/zinc/22/43/95/1039224395.db2.gz IUKALZUIUYVZAD-LBPRGKRZSA-N 2 1 337.261 3.579 20 0 EHADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480167081 1039256163 /nfs/dbraw/zinc/25/61/63/1039256163.db2.gz QLJHGUXVDTYSIR-IRLDBZIGSA-N 3 1 343.559 3.609 20 0 EHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000480176505 1039266427 /nfs/dbraw/zinc/26/64/27/1039266427.db2.gz FETYNZBSCNOMDB-XIHRTOKZSA-N 2 1 330.516 3.546 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@H]1CCc2c1cc(Br)cc2F ZINC000480181619 1039272543 /nfs/dbraw/zinc/27/25/43/1039272543.db2.gz OQMFGQHOFSNSEC-INIZCTEOSA-N 2 1 343.284 3.895 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000480181619 1039272553 /nfs/dbraw/zinc/27/25/53/1039272553.db2.gz OQMFGQHOFSNSEC-INIZCTEOSA-N 2 1 343.284 3.895 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000480181619 1039272568 /nfs/dbraw/zinc/27/25/68/1039272568.db2.gz OQMFGQHOFSNSEC-INIZCTEOSA-N 2 1 343.284 3.895 20 0 EHADMP CCn1nc(C)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1C ZINC000236975583 1039287022 /nfs/dbraw/zinc/28/70/22/1039287022.db2.gz PJZCVUCHJAWGKS-UHFFFAOYSA-N 2 1 328.504 3.650 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478230214 1039304487 /nfs/dbraw/zinc/30/44/87/1039304487.db2.gz NGJZHZMJFCFOLY-ZWKOTPCHSA-N 2 1 332.488 3.604 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)CC[N@H+]1C ZINC000480218167 1039318770 /nfs/dbraw/zinc/31/87/70/1039318770.db2.gz NVNDOIPRVRIONW-XMSQKQJNSA-N 2 1 349.522 3.822 20 0 EHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000431919293 1039394346 /nfs/dbraw/zinc/39/43/46/1039394346.db2.gz BFNDTHLJZVJJMH-FQEVSTJZSA-N 2 1 343.515 3.876 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237676284 1039409950 /nfs/dbraw/zinc/40/99/50/1039409950.db2.gz CMMAGXTVLCIOGY-INIZCTEOSA-N 2 1 337.467 3.630 20 0 EHADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658285 1039418542 /nfs/dbraw/zinc/41/85/42/1039418542.db2.gz CFAMZUXKXNBJFM-DOTOQJQBSA-N 2 1 336.414 3.784 20 0 EHADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658285 1039418547 /nfs/dbraw/zinc/41/85/47/1039418547.db2.gz CFAMZUXKXNBJFM-DOTOQJQBSA-N 2 1 336.414 3.784 20 0 EHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000485685902 1039423468 /nfs/dbraw/zinc/42/34/68/1039423468.db2.gz RCZOPOYINGKNEI-APWZRJJASA-N 2 1 343.515 3.587 20 0 EHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000485685902 1039423474 /nfs/dbraw/zinc/42/34/74/1039423474.db2.gz RCZOPOYINGKNEI-APWZRJJASA-N 2 1 343.515 3.587 20 0 EHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000485685902 1039423479 /nfs/dbraw/zinc/42/34/79/1039423479.db2.gz RCZOPOYINGKNEI-APWZRJJASA-N 2 1 343.515 3.587 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@H](C)C1 ZINC000552920027 1039636820 /nfs/dbraw/zinc/63/68/20/1039636820.db2.gz QRRGOASUQJRAAO-GCJKJVERSA-N 2 1 344.543 3.518 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667688267 1039641446 /nfs/dbraw/zinc/64/14/46/1039641446.db2.gz LFTSUJZPAAWFDZ-SFHVURJKSA-N 2 1 344.547 3.770 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000667688642 1039668879 /nfs/dbraw/zinc/66/88/79/1039668879.db2.gz YTQQJGCFZPKGEZ-KRWDZBQOSA-N 2 1 344.547 3.774 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000549686833 1039680950 /nfs/dbraw/zinc/68/09/50/1039680950.db2.gz CIVHQEOPJTVPOK-GBESFXJTSA-N 2 1 338.536 3.743 20 0 EHADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000417368556 1039739500 /nfs/dbraw/zinc/73/95/00/1039739500.db2.gz OSNYECJAVMNONM-PLACYPQZSA-N 2 1 330.516 3.833 20 0 EHADMP Fc1cccc(-c2ccc(CNC[C@@H]3CC[N@H+](C4CC4)C3)o2)c1F ZINC000480648402 1039830280 /nfs/dbraw/zinc/83/02/80/1039830280.db2.gz VFRGLHCCSHFMDM-ZDUSSCGKSA-N 2 1 332.394 3.799 20 0 EHADMP Fc1cccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)o2)c1F ZINC000480648402 1039830309 /nfs/dbraw/zinc/83/03/09/1039830309.db2.gz VFRGLHCCSHFMDM-ZDUSSCGKSA-N 2 1 332.394 3.799 20 0 EHADMP Fc1cccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)o2)c1F ZINC000480648402 1039830333 /nfs/dbraw/zinc/83/03/33/1039830333.db2.gz VFRGLHCCSHFMDM-ZDUSSCGKSA-N 2 1 332.394 3.799 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1O ZINC000668587019 1039888945 /nfs/dbraw/zinc/88/89/45/1039888945.db2.gz INUBTPUUINDZAL-SJLPKXTDSA-N 2 1 346.515 3.719 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1O ZINC000668587019 1039888968 /nfs/dbraw/zinc/88/89/68/1039888968.db2.gz INUBTPUUINDZAL-SJLPKXTDSA-N 2 1 346.515 3.719 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000480730604 1039965919 /nfs/dbraw/zinc/96/59/19/1039965919.db2.gz VRYDAMBXMZSZLS-LLGFUMIMSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cncc(Br)c1 ZINC000569356912 1039997253 /nfs/dbraw/zinc/99/72/53/1039997253.db2.gz PKBOAGZVFANJIY-UONOGXRCSA-N 2 1 340.309 3.759 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cncc(Br)c1 ZINC000569356912 1039997266 /nfs/dbraw/zinc/99/72/66/1039997266.db2.gz PKBOAGZVFANJIY-UONOGXRCSA-N 2 1 340.309 3.759 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633957 1040113739 /nfs/dbraw/zinc/11/37/39/1040113739.db2.gz SLQZFPRNGAYJRN-IACUBPJLSA-N 2 1 341.268 3.866 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)c(F)c1 ZINC000489633957 1040113746 /nfs/dbraw/zinc/11/37/46/1040113746.db2.gz SLQZFPRNGAYJRN-IACUBPJLSA-N 2 1 341.268 3.866 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2F)s1 ZINC000481038390 1040303168 /nfs/dbraw/zinc/30/31/68/1040303168.db2.gz NJFPPCXMPKZMSO-LSDHHAIUSA-N 2 1 348.487 3.662 20 0 EHADMP C[N@H+]1CC[C@H]2CCN(c3ccnc4cc(Br)ccc43)[C@@H]2C1 ZINC000486707661 1040370099 /nfs/dbraw/zinc/37/00/99/1040370099.db2.gz JOAWAYACUDIGAQ-YVEFUNNKSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@@H]2C1 ZINC000486707661 1040370117 /nfs/dbraw/zinc/37/01/17/1040370117.db2.gz JOAWAYACUDIGAQ-YVEFUNNKSA-N 2 1 346.272 3.528 20 0 EHADMP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)[C@@H]2C1 ZINC000486707661 1040370133 /nfs/dbraw/zinc/37/01/33/1040370133.db2.gz JOAWAYACUDIGAQ-YVEFUNNKSA-N 2 1 346.272 3.528 20 0 EHADMP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512649933 1040395508 /nfs/dbraw/zinc/39/55/08/1040395508.db2.gz VPSYSIBHWDSMAQ-QHAWAJNXSA-N 2 1 330.516 3.692 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000490227234 1040408576 /nfs/dbraw/zinc/40/85/76/1040408576.db2.gz MYOXDWVGPKCKGA-QYZOEREBSA-N 2 1 345.531 3.859 20 0 EHADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549867957 1040456794 /nfs/dbraw/zinc/45/67/94/1040456794.db2.gz KJZCXMIMPJDZTN-HLAWJBBLSA-N 2 1 342.527 3.693 20 0 EHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500104829 1040515642 /nfs/dbraw/zinc/51/56/42/1040515642.db2.gz QKASALIBXSBZMR-JOCHJYFZSA-N 2 1 345.575 3.664 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486978812 1040615446 /nfs/dbraw/zinc/61/54/46/1040615446.db2.gz HSKKMZBCOQXGTE-GASCZTMLSA-N 2 1 333.501 3.861 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000486978812 1040615463 /nfs/dbraw/zinc/61/54/63/1040615463.db2.gz HSKKMZBCOQXGTE-GASCZTMLSA-N 2 1 333.501 3.861 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000411395455 1040800246 /nfs/dbraw/zinc/80/02/46/1040800246.db2.gz IDHXBWFEKRBXJZ-FGZHOGPDSA-N 2 1 342.527 3.921 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000411392886 1040817071 /nfs/dbraw/zinc/81/70/71/1040817071.db2.gz DRVWDRXCQJXYPM-NHCUHLMSSA-N 2 1 328.500 3.531 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000512803851 1040992725 /nfs/dbraw/zinc/99/27/25/1040992725.db2.gz CEYWLDOVHDJGCX-UHFFFAOYSA-N 2 1 340.515 3.961 20 0 EHADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c2cc(OC(F)(F)F)ccc21 ZINC000899875720 1041266748 /nfs/dbraw/zinc/26/67/48/1041266748.db2.gz HZDXMEROMOULBJ-UHFFFAOYSA-N 2 1 339.361 3.664 20 0 EHADMP C[C@@H]1CN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)[C@@H](C)C[N@H+]1C ZINC000899876821 1041269761 /nfs/dbraw/zinc/26/97/61/1041269761.db2.gz PHYVWNVAQYINER-NEPJUHHUSA-N 2 1 339.361 3.662 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC(C)(C)C1 ZINC000511770000 1041587390 /nfs/dbraw/zinc/58/73/90/1041587390.db2.gz NRCYIKARRRAVEN-YLJYHZDGSA-N 2 1 330.516 3.823 20 0 EHADMP CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576184 1041598731 /nfs/dbraw/zinc/59/87/31/1041598731.db2.gz JHYXFXFFAUCPRF-ZFWWWQNUSA-N 2 1 345.443 3.532 20 0 EHADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576184 1041598747 /nfs/dbraw/zinc/59/87/47/1041598747.db2.gz JHYXFXFFAUCPRF-ZFWWWQNUSA-N 2 1 345.443 3.532 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccn21 ZINC000651620657 1041800430 /nfs/dbraw/zinc/80/04/30/1041800430.db2.gz MCRARJMKFBEDOA-QGZVFWFLSA-N 2 1 326.488 3.518 20 0 EHADMP C[N@@H+](Cc1cccc2c1CCC2)C1CCN(CCc2ccccn2)CC1 ZINC000651626270 1041806418 /nfs/dbraw/zinc/80/64/18/1041806418.db2.gz KCXSUCCLEABYIA-UHFFFAOYSA-N 2 1 349.522 3.709 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651705749 1041944497 /nfs/dbraw/zinc/94/44/97/1041944497.db2.gz FERFJFZLBDBKMV-IBGZPJMESA-N 2 1 340.515 3.699 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000651705749 1041944501 /nfs/dbraw/zinc/94/45/01/1041944501.db2.gz FERFJFZLBDBKMV-IBGZPJMESA-N 2 1 340.515 3.699 20 0 EHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651705749 1041944504 /nfs/dbraw/zinc/94/45/04/1041944504.db2.gz FERFJFZLBDBKMV-IBGZPJMESA-N 2 1 340.515 3.699 20 0 EHADMP COc1ccc([C@@H]([NH2+]CCCc2c[nH+]cn2C)c2ccccc2)cc1 ZINC000661208837 1042007592 /nfs/dbraw/zinc/00/75/92/1042007592.db2.gz YMDBATNVFOTLST-NRFANRHFSA-N 2 1 335.451 3.741 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661429138 1042116926 /nfs/dbraw/zinc/11/69/26/1042116926.db2.gz WCOPYKUIZAXTNW-LJQANCHMSA-N 2 1 347.890 3.617 20 0 EHADMP CCN1CCC([NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000652218591 1042273993 /nfs/dbraw/zinc/27/39/93/1042273993.db2.gz RMYODSTWEBJHFI-UHFFFAOYSA-N 2 1 337.305 3.902 20 0 EHADMP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278847950 1042292732 /nfs/dbraw/zinc/29/27/32/1042292732.db2.gz VIKBQHBMYOAEDM-OWZKRDHZSA-N 2 1 330.516 3.713 20 0 EHADMP COc1ccc([C@@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000925734259 1042414904 /nfs/dbraw/zinc/41/49/04/1042414904.db2.gz PMGGYMCASSUWCZ-DOTOQJQBSA-N 2 1 326.431 3.759 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000248497607 1042524183 /nfs/dbraw/zinc/52/41/83/1042524183.db2.gz LYDSIKPNUOIUON-QLFBSQMISA-N 2 1 340.895 3.586 20 0 EHADMP c1csc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)c1 ZINC000662249098 1042633172 /nfs/dbraw/zinc/63/31/72/1042633172.db2.gz OWRWWCOVMSDRDE-GOSISDBHSA-N 2 1 342.508 3.575 20 0 EHADMP Fc1ccc(SCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000662278017 1042654836 /nfs/dbraw/zinc/65/48/36/1042654836.db2.gz ZFSMGWSNYFIZFH-CJNGLKHVSA-N 2 1 326.456 3.521 20 0 EHADMP Fc1ccc(SCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000662278017 1042654838 /nfs/dbraw/zinc/65/48/38/1042654838.db2.gz ZFSMGWSNYFIZFH-CJNGLKHVSA-N 2 1 326.456 3.521 20 0 EHADMP CC(C)c1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000663315474 1042671170 /nfs/dbraw/zinc/67/11/70/1042671170.db2.gz WZVPWNGYSWIZKP-UHFFFAOYSA-N 2 1 338.495 3.932 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1F ZINC000161682414 1042676903 /nfs/dbraw/zinc/67/69/03/1042676903.db2.gz UDDKVYSMTQXNDI-PBHICJAKSA-N 2 1 342.886 3.757 20 0 EHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662312946 1042677810 /nfs/dbraw/zinc/67/78/10/1042677810.db2.gz BQQMGTAXNLVVDM-OXQOHEQNSA-N 2 1 339.483 3.618 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000382280799 1042677956 /nfs/dbraw/zinc/67/79/56/1042677956.db2.gz GVHPPSMQOTUTLG-HXUWFJFHSA-N 2 1 349.478 3.569 20 0 EHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCCC2CCC2)CC1 ZINC000662327521 1042690150 /nfs/dbraw/zinc/69/01/50/1042690150.db2.gz QNEUSOLBDPBCAN-UHFFFAOYSA-N 2 1 330.520 3.636 20 0 EHADMP CCCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000663346987 1042732351 /nfs/dbraw/zinc/73/23/51/1042732351.db2.gz DSXFBTVFZKUQCF-LJQANCHMSA-N 2 1 346.515 3.696 20 0 EHADMP FC(F)(F)c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347503 1042738016 /nfs/dbraw/zinc/73/80/16/1042738016.db2.gz MMKMULNBCWDSJL-INIZCTEOSA-N 2 1 326.406 3.917 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466415 1042889065 /nfs/dbraw/zinc/88/90/65/1042889065.db2.gz SRSOFVUZAZROOV-CRAIPNDOSA-N 2 1 332.536 3.719 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cnn1C(C)(C)C ZINC000663466415 1042889070 /nfs/dbraw/zinc/88/90/70/1042889070.db2.gz SRSOFVUZAZROOV-CRAIPNDOSA-N 2 1 332.536 3.719 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468751 1042894155 /nfs/dbraw/zinc/89/41/55/1042894155.db2.gz MLRJIXOWCCCWBC-SYYKKAFVSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000663468751 1042894160 /nfs/dbraw/zinc/89/41/60/1042894160.db2.gz MLRJIXOWCCCWBC-SYYKKAFVSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468751 1042894164 /nfs/dbraw/zinc/89/41/64/1042894164.db2.gz MLRJIXOWCCCWBC-SYYKKAFVSA-N 3 1 347.591 3.741 20 0 EHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470234 1042898743 /nfs/dbraw/zinc/89/87/43/1042898743.db2.gz UCDCZEOOPNRARD-ICSRJNTNSA-N 2 1 328.500 3.920 20 0 EHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000925780777 1042930441 /nfs/dbraw/zinc/93/04/41/1042930441.db2.gz GPKKPOAPNSLKLP-MFKMUULPSA-N 2 1 332.847 3.711 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001167825176 1042950995 /nfs/dbraw/zinc/95/09/95/1042950995.db2.gz GSHRLOPKYSXFGH-AWEZNQCLSA-N 2 1 326.431 3.538 20 0 EHADMP CC(C)n1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390876550 1043009598 /nfs/dbraw/zinc/00/95/98/1043009598.db2.gz RSCBJBVQSZKSFT-IHWFROFDSA-N 2 1 338.499 3.749 20 0 EHADMP CC(C)n1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390876550 1043009603 /nfs/dbraw/zinc/00/96/03/1043009603.db2.gz RSCBJBVQSZKSFT-IHWFROFDSA-N 2 1 338.499 3.749 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(C)ccc1OC ZINC000432414177 1043132613 /nfs/dbraw/zinc/13/26/13/1043132613.db2.gz QURALRYLOPKTPL-IEBWSBKVSA-N 2 1 334.504 3.545 20 0 EHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(C)ccc1OC ZINC000432414177 1043132626 /nfs/dbraw/zinc/13/26/26/1043132626.db2.gz QURALRYLOPKTPL-IEBWSBKVSA-N 2 1 334.504 3.545 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C12CCC2 ZINC000344033738 1043134406 /nfs/dbraw/zinc/13/44/06/1043134406.db2.gz MFPBRMPVZOPBBP-PMACEKPBSA-N 2 1 330.516 3.964 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCCO1 ZINC000432425374 1043175080 /nfs/dbraw/zinc/17/50/80/1043175080.db2.gz USHZIEUNZBDIFS-NSISKUIASA-N 2 1 334.479 3.552 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCCO1 ZINC000432425374 1043175086 /nfs/dbraw/zinc/17/50/86/1043175086.db2.gz USHZIEUNZBDIFS-NSISKUIASA-N 2 1 334.479 3.552 20 0 EHADMP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)ccc1F ZINC000432427105 1043182264 /nfs/dbraw/zinc/18/22/64/1043182264.db2.gz XINQTLIAKUDELX-JXFKEZNVSA-N 2 1 334.479 3.676 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc12 ZINC000279027719 1043218449 /nfs/dbraw/zinc/21/84/49/1043218449.db2.gz VSQVWLRZVCIMCK-HOTGVXAUSA-N 2 1 335.451 3.958 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CCCO1 ZINC000432438996 1043242073 /nfs/dbraw/zinc/24/20/73/1043242073.db2.gz FCNZUQUXVGAIAV-HJNYFJLDSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CCCO1 ZINC000432438996 1043242076 /nfs/dbraw/zinc/24/20/76/1043242076.db2.gz FCNZUQUXVGAIAV-HJNYFJLDSA-N 2 1 344.543 3.878 20 0 EHADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638721115 1043309599 /nfs/dbraw/zinc/30/95/99/1043309599.db2.gz XMODGLCMZMLISZ-ICSRJNTNSA-N 2 1 328.500 3.761 20 0 EHADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638721115 1043309606 /nfs/dbraw/zinc/30/96/06/1043309606.db2.gz XMODGLCMZMLISZ-ICSRJNTNSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1cc(CO)cc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741498 1043890613 /nfs/dbraw/zinc/89/06/13/1043890613.db2.gz PHSMEJCVZOMOOP-IEBWSBKVSA-N 2 1 339.483 3.595 20 0 EHADMP Cc1cc(CO)cc(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663741498 1043890632 /nfs/dbraw/zinc/89/06/32/1043890632.db2.gz PHSMEJCVZOMOOP-IEBWSBKVSA-N 2 1 339.483 3.595 20 0 EHADMP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000344454197 1044018676 /nfs/dbraw/zinc/01/86/76/1044018676.db2.gz HBOQMBHQSVILNY-VGOKWCNXSA-N 2 1 327.472 3.757 20 0 EHADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000344454195 1044019520 /nfs/dbraw/zinc/01/95/20/1044019520.db2.gz HBOQMBHQSVILNY-CHYADLBTSA-N 2 1 327.472 3.757 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000307968372 1125677386 /nfs/dbraw/zinc/67/73/86/1125677386.db2.gz VTPDVWRAMVKBRA-UZLBHIALSA-N 2 1 340.515 3.520 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cscc1Br ZINC000286274801 1130627926 /nfs/dbraw/zinc/62/79/26/1130627926.db2.gz BMMBWRUMOPNLOJ-UHFFFAOYSA-N 2 1 328.279 3.586 20 0 EHADMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974330 1126844484 /nfs/dbraw/zinc/84/44/84/1126844484.db2.gz CNRCCYGOOBMIBU-HXUWFJFHSA-N 2 1 336.479 3.575 20 0 EHADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974330 1126844486 /nfs/dbraw/zinc/84/44/86/1126844486.db2.gz CNRCCYGOOBMIBU-HXUWFJFHSA-N 2 1 336.479 3.575 20 0 EHADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974330 1126844489 /nfs/dbraw/zinc/84/44/89/1126844489.db2.gz CNRCCYGOOBMIBU-HXUWFJFHSA-N 2 1 336.479 3.575 20 0 EHADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ncc1Br ZINC000623341113 1126921581 /nfs/dbraw/zinc/92/15/81/1126921581.db2.gz NWANVKBAZHRQQD-UHFFFAOYSA-N 2 1 340.309 3.551 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2cc(F)cc(Br)c2)CC1(C)C ZINC000623371158 1126932692 /nfs/dbraw/zinc/93/26/92/1126932692.db2.gz RQOWQZUUVVSHAZ-CQSZACIVSA-N 2 1 329.257 3.551 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1(C)C ZINC000623371158 1126932693 /nfs/dbraw/zinc/93/26/93/1126932693.db2.gz RQOWQZUUVVSHAZ-CQSZACIVSA-N 2 1 329.257 3.551 20 0 EHADMP FC1(F)CC[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000380031669 1126934114 /nfs/dbraw/zinc/93/41/14/1126934114.db2.gz GNXTVFPHAXHLPB-IPMKNSEASA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000380031669 1126934117 /nfs/dbraw/zinc/93/41/17/1126934117.db2.gz GNXTVFPHAXHLPB-IPMKNSEASA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000380031669 1126934118 /nfs/dbraw/zinc/93/41/18/1126934118.db2.gz GNXTVFPHAXHLPB-IPMKNSEASA-N 2 1 334.454 3.876 20 0 EHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374975 1126938374 /nfs/dbraw/zinc/93/83/74/1126938374.db2.gz XQIHKVPDSXQYPB-UONOGXRCSA-N 2 1 344.421 3.935 20 0 EHADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623551722 1126983289 /nfs/dbraw/zinc/98/32/89/1126983289.db2.gz FBKAFCPBBJYUIB-PBHICJAKSA-N 2 1 331.479 3.711 20 0 EHADMP CCCCNC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000177878567 1127001510 /nfs/dbraw/zinc/00/15/10/1127001510.db2.gz PPBGJZFBYULVCV-UHFFFAOYSA-N 2 1 345.531 3.569 20 0 EHADMP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623893670 1127207628 /nfs/dbraw/zinc/20/76/28/1127207628.db2.gz YNTBYAKXTVCLSV-CTNGQTDRSA-N 2 1 330.516 3.631 20 0 EHADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000623890067 1127211497 /nfs/dbraw/zinc/21/14/97/1127211497.db2.gz BCSHWXHMKIKIFU-ZIAGYGMSSA-N 2 1 325.294 3.750 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)CC1(C)C ZINC000623941344 1127219413 /nfs/dbraw/zinc/21/94/13/1127219413.db2.gz PACVSDUCVFLIAR-SFHVURJKSA-N 2 1 333.545 3.520 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624124217 1127257522 /nfs/dbraw/zinc/25/75/22/1127257522.db2.gz ZYUGVVNMAAHMAR-GOEBONIOSA-N 2 1 339.321 3.702 20 0 EHADMP Cc1c([C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120562 1127255268 /nfs/dbraw/zinc/25/52/68/1127255268.db2.gz BRLAEMVWGUUUDP-DOTOQJQBSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120562 1127255269 /nfs/dbraw/zinc/25/52/69/1127255269.db2.gz BRLAEMVWGUUUDP-DOTOQJQBSA-N 2 1 344.478 3.702 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000624120562 1127255274 /nfs/dbraw/zinc/25/52/74/1127255274.db2.gz BRLAEMVWGUUUDP-DOTOQJQBSA-N 2 1 344.478 3.702 20 0 EHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000181733539 1127292770 /nfs/dbraw/zinc/29/27/70/1127292770.db2.gz XHJSFWPEEDQVFE-DLBZAZTESA-N 2 1 344.499 3.883 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000624223917 1127321574 /nfs/dbraw/zinc/32/15/74/1127321574.db2.gz HOVFNFIKOKMHSE-YFNVTMOMSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@H](CC1CCCCC1)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183331705 1127372813 /nfs/dbraw/zinc/37/28/13/1127372813.db2.gz DIRNQWIEKIQOMB-TZIWHRDSSA-N 2 1 335.580 3.695 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000183365968 1127374363 /nfs/dbraw/zinc/37/43/63/1127374363.db2.gz QYHMFYCQNWWYLS-OCCSQVGLSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000183365968 1127374367 /nfs/dbraw/zinc/37/43/67/1127374367.db2.gz QYHMFYCQNWWYLS-OCCSQVGLSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365968 1127374371 /nfs/dbraw/zinc/37/43/71/1127374371.db2.gz QYHMFYCQNWWYLS-OCCSQVGLSA-N 2 1 348.384 3.681 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH+]1C ZINC000183365968 1127374375 /nfs/dbraw/zinc/37/43/75/1127374375.db2.gz QYHMFYCQNWWYLS-OCCSQVGLSA-N 2 1 348.384 3.681 20 0 EHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000185288316 1127423560 /nfs/dbraw/zinc/42/35/60/1127423560.db2.gz GNTODUINTLKTBM-FUHWJXTLSA-N 2 1 336.495 3.723 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414953 1127608831 /nfs/dbraw/zinc/60/88/31/1127608831.db2.gz DLSBQMXLLGUJGR-DENIHFKCSA-N 2 1 349.522 3.549 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCc2ccccc21 ZINC000765414953 1127608833 /nfs/dbraw/zinc/60/88/33/1127608833.db2.gz DLSBQMXLLGUJGR-DENIHFKCSA-N 2 1 349.522 3.549 20 0 EHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000671758289 1128236726 /nfs/dbraw/zinc/23/67/26/1128236726.db2.gz QTPSINPKFAUWDL-RLHVNXBHSA-N 2 1 330.516 3.977 20 0 EHADMP COC1CCC(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)CC1 ZINC001168613283 1128381799 /nfs/dbraw/zinc/38/17/99/1128381799.db2.gz FTNSKUISOJFGGW-NXYGQSRBSA-N 2 1 342.487 3.720 20 0 EHADMP COc1ccc2c(c1Cl)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000903066403 1128455060 /nfs/dbraw/zinc/45/50/60/1128455060.db2.gz MDYXEZMDZIPCES-XJKSGUPXSA-N 2 1 334.891 3.800 20 0 EHADMP COc1ccc2c(c1Cl)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000903066403 1128455061 /nfs/dbraw/zinc/45/50/61/1128455061.db2.gz MDYXEZMDZIPCES-XJKSGUPXSA-N 2 1 334.891 3.800 20 0 EHADMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166391480 1128455491 /nfs/dbraw/zinc/45/54/91/1128455491.db2.gz KEYTTWACMBPTIQ-FGZHOGPDSA-N 3 1 341.543 3.779 20 0 EHADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166391480 1128455493 /nfs/dbraw/zinc/45/54/93/1128455493.db2.gz KEYTTWACMBPTIQ-FGZHOGPDSA-N 2 1 341.543 3.779 20 0 EHADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166391480 1128455495 /nfs/dbraw/zinc/45/54/95/1128455495.db2.gz KEYTTWACMBPTIQ-FGZHOGPDSA-N 2 1 341.543 3.779 20 0 EHADMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2c(n1)CCCC2 ZINC001648814239 1120046692 /nfs/dbraw/zinc/04/66/92/1120046692.db2.gz JHUWEHPDICASGU-CALCHBBNSA-N 2 1 329.532 3.726 20 0 EHADMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2c(n1)CCCC2 ZINC001648814239 1120046694 /nfs/dbraw/zinc/04/66/94/1120046694.db2.gz JHUWEHPDICASGU-CALCHBBNSA-N 2 1 329.532 3.726 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3C)cc2)CC1 ZINC001648814380 1120046944 /nfs/dbraw/zinc/04/69/44/1120046944.db2.gz KKICHGYNLBZVMP-KNQAVFIVSA-N 2 1 343.559 3.740 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC001648969405 1120285816 /nfs/dbraw/zinc/28/58/16/1120285816.db2.gz OUVLOJJYQSZTOP-UHFFFAOYSA-N 2 1 333.863 3.956 20 0 EHADMP C[N@H+](C[C@@H](O)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871781 1120652582 /nfs/dbraw/zinc/65/25/82/1120652582.db2.gz BOZZBEAVCVAYIC-OAQYLSRUSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](C[C@@H](O)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871781 1120652585 /nfs/dbraw/zinc/65/25/85/1120652585.db2.gz BOZZBEAVCVAYIC-OAQYLSRUSA-N 2 1 330.516 3.524 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1csc(Cl)c1 ZINC000191231619 1120665393 /nfs/dbraw/zinc/66/53/93/1120665393.db2.gz URJXEBPKXDXIHM-MJBXVCDLSA-N 2 1 330.925 3.942 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2n1C1CC1 ZINC000338773677 1128945550 /nfs/dbraw/zinc/94/55/50/1128945550.db2.gz NIYMWKNVJBNHFT-FUHWJXTLSA-N 2 1 338.499 3.650 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494891875 1120893780 /nfs/dbraw/zinc/89/37/80/1120893780.db2.gz QXAIIFJQIDRGBY-WMZOPIPTSA-N 2 1 333.524 3.528 20 0 EHADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000495226212 1120992948 /nfs/dbraw/zinc/99/29/48/1120992948.db2.gz RSBOFRRUUUMUKI-HXUWFJFHSA-N 2 1 341.499 3.628 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000670155006 1121107950 /nfs/dbraw/zinc/10/79/50/1121107950.db2.gz VCIQQRDJDXZASG-YYWHXJBOSA-N 2 1 330.516 3.658 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C2)n1 ZINC000171649419 1121129538 /nfs/dbraw/zinc/12/95/38/1121129538.db2.gz OZXLXSDKFLWQOH-YJBOKZPZSA-N 2 1 345.874 3.511 20 0 EHADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C2)[nH+]1 ZINC000171649419 1121129541 /nfs/dbraw/zinc/12/95/41/1121129541.db2.gz OZXLXSDKFLWQOH-YJBOKZPZSA-N 2 1 345.874 3.511 20 0 EHADMP C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369781 1121141845 /nfs/dbraw/zinc/14/18/45/1121141845.db2.gz WNQPLYJIDLWNGG-HSFDUWRESA-N 2 1 330.516 3.833 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000338779029 1128969503 /nfs/dbraw/zinc/96/95/03/1128969503.db2.gz MHLDDAJXCOWBAV-NRFANRHFSA-N 2 1 342.527 3.702 20 0 EHADMP C[NH+](C)C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000193413155 1121257965 /nfs/dbraw/zinc/25/79/65/1121257965.db2.gz HODWORNPROZSIB-UHFFFAOYSA-N 2 1 344.421 3.890 20 0 EHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650376 1121396951 /nfs/dbraw/zinc/39/69/51/1121396951.db2.gz QJOIKKCCQFPCHR-XLIONFOSSA-N 2 1 346.515 3.553 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(Cl)nc1 ZINC000153611089 1121409784 /nfs/dbraw/zinc/40/97/84/1121409784.db2.gz MZZLLRVVAZHDFQ-HOTGVXAUSA-N 2 1 343.902 3.981 20 0 EHADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000236072801 1121438863 /nfs/dbraw/zinc/43/88/63/1121438863.db2.gz GAUKGJMXZZJUHK-CHWSQXEVSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000236072801 1121438867 /nfs/dbraw/zinc/43/88/67/1121438867.db2.gz GAUKGJMXZZJUHK-CHWSQXEVSA-N 2 1 343.696 3.819 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000762917531 1121520657 /nfs/dbraw/zinc/52/06/57/1121520657.db2.gz MHCDJBHPKZAAQU-UHFFFAOYSA-N 2 1 326.488 3.704 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000762917531 1121520665 /nfs/dbraw/zinc/52/06/65/1121520665.db2.gz MHCDJBHPKZAAQU-UHFFFAOYSA-N 2 1 326.488 3.704 20 0 EHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000316655433 1121595821 /nfs/dbraw/zinc/59/58/21/1121595821.db2.gz RNXUEFPXFVWZLL-AWEZNQCLSA-N 2 1 346.302 3.627 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000397319163 1121705839 /nfs/dbraw/zinc/70/58/39/1121705839.db2.gz MLKQTZNRSMXYRP-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000397319163 1121705842 /nfs/dbraw/zinc/70/58/42/1121705842.db2.gz MLKQTZNRSMXYRP-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)o1 ZINC000642354357 1121707055 /nfs/dbraw/zinc/70/70/55/1121707055.db2.gz HYMCGFYVHITZTP-UHFFFAOYSA-N 2 1 349.519 3.506 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123310327 1122010617 /nfs/dbraw/zinc/01/06/17/1122010617.db2.gz RLKQKXHUGCYWBS-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123310327 1122010624 /nfs/dbraw/zinc/01/06/24/1122010624.db2.gz RLKQKXHUGCYWBS-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310327 1122010629 /nfs/dbraw/zinc/01/06/29/1122010629.db2.gz RLKQKXHUGCYWBS-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310327 1122010636 /nfs/dbraw/zinc/01/06/36/1122010636.db2.gz RLKQKXHUGCYWBS-GXTWGEPZSA-N 2 1 331.287 3.787 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496956933 1122218660 /nfs/dbraw/zinc/21/86/60/1122218660.db2.gz LYYNUZZGDKIVGB-WBVHZDCISA-N 2 1 347.503 3.914 20 0 EHADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000496968465 1122221819 /nfs/dbraw/zinc/22/18/19/1122221819.db2.gz MRVUYBIPROJLCM-KRWDZBQOSA-N 2 1 345.487 3.512 20 0 EHADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000496968465 1122221823 /nfs/dbraw/zinc/22/18/23/1122221823.db2.gz MRVUYBIPROJLCM-KRWDZBQOSA-N 2 1 345.487 3.512 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124858998 1122297634 /nfs/dbraw/zinc/29/76/34/1122297634.db2.gz OJLQLIMVLLFHIV-DLBZAZTESA-N 2 1 335.923 3.503 20 0 EHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124858998 1122297640 /nfs/dbraw/zinc/29/76/40/1122297640.db2.gz OJLQLIMVLLFHIV-DLBZAZTESA-N 2 1 335.923 3.503 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000125743083 1122331728 /nfs/dbraw/zinc/33/17/28/1122331728.db2.gz IFEUZSPWSXEJRE-CJNGLKHVSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000125743083 1122331733 /nfs/dbraw/zinc/33/17/33/1122331733.db2.gz IFEUZSPWSXEJRE-CJNGLKHVSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000125743083 1122331738 /nfs/dbraw/zinc/33/17/38/1122331738.db2.gz IFEUZSPWSXEJRE-CJNGLKHVSA-N 2 1 325.294 3.611 20 0 EHADMP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126672457 1122418357 /nfs/dbraw/zinc/41/83/57/1122418357.db2.gz FBDUBFIYIKABTI-NHCUHLMSSA-N 2 1 336.479 3.982 20 0 EHADMP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126672457 1122418363 /nfs/dbraw/zinc/41/83/63/1122418363.db2.gz FBDUBFIYIKABTI-NHCUHLMSSA-N 2 1 336.479 3.982 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000556052978 1122794581 /nfs/dbraw/zinc/79/45/81/1122794581.db2.gz OUFHUSNGEPOUCA-IEBWSBKVSA-N 2 1 328.431 3.759 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000556052978 1122794582 /nfs/dbraw/zinc/79/45/82/1122794582.db2.gz OUFHUSNGEPOUCA-IEBWSBKVSA-N 2 1 328.431 3.759 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061100 1122799077 /nfs/dbraw/zinc/79/90/77/1122799077.db2.gz SETXMGYDSSKPDE-SYYKKAFVSA-N 2 1 337.511 3.936 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N(C)c1ccccc1 ZINC000556061100 1122799078 /nfs/dbraw/zinc/79/90/78/1122799078.db2.gz SETXMGYDSSKPDE-SYYKKAFVSA-N 2 1 337.511 3.936 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000556126533 1122823749 /nfs/dbraw/zinc/82/37/49/1122823749.db2.gz NLWTZJAEGVORMV-QFIPXVFZSA-N 2 1 343.559 3.846 20 0 EHADMP OC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCCC1 ZINC000129822366 1122849441 /nfs/dbraw/zinc/84/94/41/1122849441.db2.gz ATZVNGBWVLRAHC-UHFFFAOYSA-N 2 1 348.506 3.508 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000131065822 1123036237 /nfs/dbraw/zinc/03/62/37/1123036237.db2.gz DDRDHZIFDBICEL-HLAWJBBLSA-N 2 1 329.532 3.532 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000556585412 1123048183 /nfs/dbraw/zinc/04/81/83/1123048183.db2.gz DXZOMYSPENNKDD-HOJAQTOUSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000556585412 1123048188 /nfs/dbraw/zinc/04/81/88/1123048188.db2.gz DXZOMYSPENNKDD-HOJAQTOUSA-N 2 1 332.532 3.674 20 0 EHADMP c1cc(OCC2CC2)ncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000131268183 1123068994 /nfs/dbraw/zinc/06/89/94/1123068994.db2.gz WWWGVCAXOYXLJE-UHFFFAOYSA-N 2 1 343.515 3.757 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H]2CCC[C@H]21 ZINC000556863225 1123152625 /nfs/dbraw/zinc/15/26/25/1123152625.db2.gz XMQOTIWDWYDIGL-OWCLPIDISA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@@H]2CCC[C@@H]21 ZINC000556870640 1123159903 /nfs/dbraw/zinc/15/99/03/1123159903.db2.gz HEZIZOGWXDHSQP-IHRRRGAJSA-N 2 1 343.334 3.516 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000556886389 1123166786 /nfs/dbraw/zinc/16/67/86/1123166786.db2.gz LYZZOCBJGSEHSF-MSEOUXRUSA-N 2 1 342.527 3.834 20 0 EHADMP Fc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000131696722 1123167531 /nfs/dbraw/zinc/16/75/31/1123167531.db2.gz BIGXTNVFWGJGHG-UHFFFAOYSA-N 2 1 344.449 3.804 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132342692 1123219699 /nfs/dbraw/zinc/21/96/99/1123219699.db2.gz JONBMWWONLJLQA-HNNXBMFYSA-N 2 1 329.410 3.799 20 0 EHADMP CN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499154395 1123253650 /nfs/dbraw/zinc/25/36/50/1123253650.db2.gz DCLZDZXHDPETGG-UADZTWIMSA-N 2 1 349.522 3.908 20 0 EHADMP C[NH+](Cc1cccnc1)Cc1ccccc1C[N@@H+](C)Cc1cccnc1 ZINC000132658579 1123269403 /nfs/dbraw/zinc/26/94/03/1123269403.db2.gz QSEBIRPALJVSRG-UHFFFAOYSA-N 2 1 346.478 3.741 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn1C ZINC000282146242 1123652911 /nfs/dbraw/zinc/65/29/11/1123652911.db2.gz KWFXNGNEXGYSBN-SFHVURJKSA-N 2 1 340.515 3.955 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000137074920 1123748452 /nfs/dbraw/zinc/74/84/52/1123748452.db2.gz HNQRMTWWWSMPTQ-CHWSQXEVSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000137074920 1123748456 /nfs/dbraw/zinc/74/84/56/1123748456.db2.gz HNQRMTWWWSMPTQ-CHWSQXEVSA-N 2 1 343.696 3.819 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245419076 1123821041 /nfs/dbraw/zinc/82/10/41/1123821041.db2.gz GVJKXLWKTNLZKV-XJKSGUPXSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245419076 1123821044 /nfs/dbraw/zinc/82/10/44/1123821044.db2.gz GVJKXLWKTNLZKV-XJKSGUPXSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245419076 1123821048 /nfs/dbraw/zinc/82/10/48/1123821048.db2.gz GVJKXLWKTNLZKV-XJKSGUPXSA-N 2 1 325.294 3.611 20 0 EHADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245673617 1123919075 /nfs/dbraw/zinc/91/90/75/1123919075.db2.gz HSOXMNOSBRXPHL-MXEMCNAFSA-N 2 1 344.543 3.815 20 0 EHADMP C[C@@H]1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000245693631 1123927172 /nfs/dbraw/zinc/92/71/72/1123927172.db2.gz KSTFFUORTGOHDR-RYFZRTLDSA-N 2 1 328.500 3.728 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)nc(C)n2)CC1)CC(C)C ZINC000660171170 1124001140 /nfs/dbraw/zinc/00/11/40/1124001140.db2.gz JAOURJPIOHTPRD-UHFFFAOYSA-N 2 1 332.536 3.673 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000246023224 1124001758 /nfs/dbraw/zinc/00/17/58/1124001758.db2.gz LQIHVGUVYJXZNI-RBUKOAKNSA-N 2 1 336.907 3.618 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115691 1124025822 /nfs/dbraw/zinc/02/58/22/1124025822.db2.gz QDSXJNHCMCRCHI-DYVFJYSZSA-N 2 1 337.305 3.832 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1 ZINC000246805609 1124551436 /nfs/dbraw/zinc/55/14/36/1124551436.db2.gz AHVVNCPEBIWSPS-SJORKVTESA-N 2 1 326.488 3.706 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H](C)C1 ZINC000246894226 1124564673 /nfs/dbraw/zinc/56/46/73/1124564673.db2.gz FNBGDRPEONXGIN-OXJNMPFZSA-N 2 1 343.515 3.635 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H](C)C1 ZINC000246894226 1124564680 /nfs/dbraw/zinc/56/46/80/1124564680.db2.gz FNBGDRPEONXGIN-OXJNMPFZSA-N 2 1 343.515 3.635 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2C)[C@@H](C)C1 ZINC000247138844 1124590505 /nfs/dbraw/zinc/59/05/05/1124590505.db2.gz WARBBUQKDVXPJU-PZJWPPBQSA-N 2 1 332.532 3.654 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000247944280 1124630978 /nfs/dbraw/zinc/63/09/78/1124630978.db2.gz DHJDMCXLZBCYNK-XLMAVXFVSA-N 2 1 335.923 3.627 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1Cl ZINC000247989773 1124634750 /nfs/dbraw/zinc/63/47/50/1124634750.db2.gz JGVJMMKBIHGZHL-KBPBESRZSA-N 2 1 345.314 3.881 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000248158030 1124643007 /nfs/dbraw/zinc/64/30/07/1124643007.db2.gz RRRRFLPCWRGUEI-VNYTWHDVSA-N 2 1 343.559 3.968 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248395164 1124656361 /nfs/dbraw/zinc/65/63/61/1124656361.db2.gz FZTUNDCNAYGTAG-IKGGRYGDSA-N 2 1 340.515 3.877 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248395164 1124656364 /nfs/dbraw/zinc/65/63/64/1124656364.db2.gz FZTUNDCNAYGTAG-IKGGRYGDSA-N 2 1 340.515 3.877 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC[NH+]2CCCCCC2)C3)cc1 ZINC000249049943 1124731445 /nfs/dbraw/zinc/73/14/45/1124731445.db2.gz XGUVTJOUYSORKE-KOUNCHBCSA-N 2 1 341.543 3.648 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249587621 1124767138 /nfs/dbraw/zinc/76/71/38/1124767138.db2.gz OPQBUUHONUGWHP-ZYSHUDEJSA-N 2 1 348.556 3.827 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000250744156 1124843421 /nfs/dbraw/zinc/84/34/21/1124843421.db2.gz HNQRMTWWWSMPTQ-STQMWFEESA-N 2 1 343.696 3.819 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000250744156 1124843432 /nfs/dbraw/zinc/84/34/32/1124843432.db2.gz HNQRMTWWWSMPTQ-STQMWFEESA-N 2 1 343.696 3.819 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090551644 1124921411 /nfs/dbraw/zinc/92/14/11/1124921411.db2.gz DQHRGUYJEIPCAO-DOMZBBRYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090551644 1124921414 /nfs/dbraw/zinc/92/14/14/1124921414.db2.gz DQHRGUYJEIPCAO-DOMZBBRYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000090551644 1124921421 /nfs/dbraw/zinc/92/14/21/1124921421.db2.gz DQHRGUYJEIPCAO-DOMZBBRYSA-N 2 1 325.294 3.672 20 0 EHADMP Cc1c(Br)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000090551644 1124921423 /nfs/dbraw/zinc/92/14/23/1124921423.db2.gz DQHRGUYJEIPCAO-DOMZBBRYSA-N 2 1 325.294 3.672 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449081180 1124943390 /nfs/dbraw/zinc/94/33/90/1124943390.db2.gz CIOLPPHLQAOSSP-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449081180 1124943395 /nfs/dbraw/zinc/94/33/95/1124943395.db2.gz CIOLPPHLQAOSSP-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000765977072 1129373198 /nfs/dbraw/zinc/37/31/98/1129373198.db2.gz PTBWBVHHHRANIG-WMZOPIPTSA-N 2 1 332.488 3.526 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)CC2 ZINC000358744170 1129411857 /nfs/dbraw/zinc/41/18/57/1129411857.db2.gz CZDCWAOPLVVINQ-SFHVURJKSA-N 2 1 334.504 3.790 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)CC2 ZINC000358974094 1129429852 /nfs/dbraw/zinc/42/98/52/1129429852.db2.gz YKXCXBNGOIWCMU-LPHOPBHVSA-N 2 1 346.515 3.649 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000509073165 1129719900 /nfs/dbraw/zinc/71/99/00/1129719900.db2.gz YTYPNCGJGODSRH-JMGXUFBMSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000509073165 1129719902 /nfs/dbraw/zinc/71/99/02/1129719902.db2.gz YTYPNCGJGODSRH-JMGXUFBMSA-N 2 1 328.500 3.652 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000509073165 1129719904 /nfs/dbraw/zinc/71/99/04/1129719904.db2.gz YTYPNCGJGODSRH-JMGXUFBMSA-N 2 1 328.500 3.652 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890889 1129791252 /nfs/dbraw/zinc/79/12/52/1129791252.db2.gz ZKSWWTRLFAYEBS-GHTZIAJQSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890889 1129791256 /nfs/dbraw/zinc/79/12/56/1129791256.db2.gz ZKSWWTRLFAYEBS-GHTZIAJQSA-N 3 1 343.559 3.607 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000390912367 1129798449 /nfs/dbraw/zinc/79/84/49/1129798449.db2.gz XYIWBRWOKWUGBM-NHCUHLMSSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000390912367 1129798450 /nfs/dbraw/zinc/79/84/50/1129798450.db2.gz XYIWBRWOKWUGBM-NHCUHLMSSA-N 2 1 344.543 3.818 20 0 EHADMP CCc1ccc(CN(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000347857932 1129934989 /nfs/dbraw/zinc/93/49/89/1129934989.db2.gz CNLVOWLFYIBKNQ-NRFANRHFSA-N 2 1 337.511 3.988 20 0 EHADMP CCc1ccc(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000347857932 1129934997 /nfs/dbraw/zinc/93/49/97/1129934997.db2.gz CNLVOWLFYIBKNQ-NRFANRHFSA-N 2 1 337.511 3.988 20 0 EHADMP CCc1ccc(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000347857932 1129935000 /nfs/dbraw/zinc/93/50/00/1129935000.db2.gz CNLVOWLFYIBKNQ-NRFANRHFSA-N 2 1 337.511 3.988 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000674880057 1130214720 /nfs/dbraw/zinc/21/47/20/1130214720.db2.gz FQXUASXPPKFIDS-OAQYLSRUSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000674880057 1130214724 /nfs/dbraw/zinc/21/47/24/1130214724.db2.gz FQXUASXPPKFIDS-OAQYLSRUSA-N 2 1 341.543 3.648 20 0 EHADMP CC1(O)CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000703018188 1130268746 /nfs/dbraw/zinc/26/87/46/1130268746.db2.gz PTLSMYJASGQEPM-QNGMFEMESA-N 2 1 342.527 3.572 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000675751953 1130465415 /nfs/dbraw/zinc/46/54/15/1130465415.db2.gz IQYRXUXTEZZRBY-ARFHVFGLSA-N 2 1 349.906 3.582 20 0 EHADMP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883181 1130501045 /nfs/dbraw/zinc/50/10/45/1130501045.db2.gz XIICNTFSWPAXEA-HNAYVOBHSA-N 2 1 334.891 3.560 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166700073 1130595960 /nfs/dbraw/zinc/59/59/60/1130595960.db2.gz GIRCHNBFHMBRAS-HOTGVXAUSA-N 3 1 326.488 3.562 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733187960 1131005678 /nfs/dbraw/zinc/00/56/78/1131005678.db2.gz XQFISAXOBFQIPR-UHFFFAOYSA-N 2 1 339.487 3.529 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733187960 1131005689 /nfs/dbraw/zinc/00/56/89/1131005689.db2.gz XQFISAXOBFQIPR-UHFFFAOYSA-N 2 1 339.487 3.529 20 0 EHADMP CCOCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172426039 1131724200 /nfs/dbraw/zinc/72/42/00/1131724200.db2.gz GOUYHJUTZBWEHQ-TZIWHRDSSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172426039 1131724206 /nfs/dbraw/zinc/72/42/06/1131724206.db2.gz GOUYHJUTZBWEHQ-TZIWHRDSSA-N 2 1 330.516 3.790 20 0 EHADMP CCOCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172426039 1131724213 /nfs/dbraw/zinc/72/42/13/1131724213.db2.gz GOUYHJUTZBWEHQ-TZIWHRDSSA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172475245 1131735989 /nfs/dbraw/zinc/73/59/89/1131735989.db2.gz HBYOBQXMPBOJPO-IBGZPJMESA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172475245 1131735991 /nfs/dbraw/zinc/73/59/91/1131735991.db2.gz HBYOBQXMPBOJPO-IBGZPJMESA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172458416 1131750967 /nfs/dbraw/zinc/75/09/67/1131750967.db2.gz YPCWEVWKARKCDV-PZJWPPBQSA-N 2 1 332.532 3.939 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172537732 1131781485 /nfs/dbraw/zinc/78/14/85/1131781485.db2.gz VCAFNRMUNOCRBT-UAFMIMERSA-N 2 1 328.500 3.684 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172760038 1131838050 /nfs/dbraw/zinc/83/80/50/1131838050.db2.gz VKYZGTZKDZBTIC-SFHVURJKSA-N 2 1 346.515 3.703 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172760038 1131838059 /nfs/dbraw/zinc/83/80/59/1131838059.db2.gz VKYZGTZKDZBTIC-SFHVURJKSA-N 2 1 346.515 3.703 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929199 1131908624 /nfs/dbraw/zinc/90/86/24/1131908624.db2.gz NKLGACVMVQCKAD-UAFMIMERSA-N 2 1 334.479 3.855 20 0 EHADMP CO[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951579 1131927945 /nfs/dbraw/zinc/92/79/45/1131927945.db2.gz RTFUPOGIAJVAPT-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001172951579 1131927952 /nfs/dbraw/zinc/92/79/52/1131927952.db2.gz RTFUPOGIAJVAPT-PMACEKPBSA-N 2 1 334.479 3.680 20 0 EHADMP CCCOC1CCC([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001173088608 1131949801 /nfs/dbraw/zinc/94/98/01/1131949801.db2.gz DPWXZSGMMMKLPW-UHFFFAOYSA-N 2 1 331.504 3.686 20 0 EHADMP CCCOC1CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173093755 1131952007 /nfs/dbraw/zinc/95/20/07/1131952007.db2.gz MLUODOCSGZGAES-GOHCJOFJSA-N 2 1 345.531 3.891 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173082657 1131961662 /nfs/dbraw/zinc/96/16/62/1131961662.db2.gz NXDBWSMOJCIZHD-GOEBONIOSA-N 2 1 344.421 3.838 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001173085959 1131964611 /nfs/dbraw/zinc/96/46/11/1131964611.db2.gz LMFBABFAGDOGAR-JQFCIGGWSA-N 2 1 344.421 3.979 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCN(CC3CCCCC3)CC2)CC1 ZINC001173108180 1131968947 /nfs/dbraw/zinc/96/89/47/1131968947.db2.gz FIWLKAWSDVZIQC-UHFFFAOYSA-N 2 1 335.580 3.837 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC001173114424 1131971285 /nfs/dbraw/zinc/97/12/85/1131971285.db2.gz JLMDBQAFTQYGER-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000743841135 1131980455 /nfs/dbraw/zinc/98/04/55/1131980455.db2.gz FXZDNYOFCDYWTA-OAQYLSRUSA-N 2 1 332.532 3.781 20 0 EHADMP Cc1ccc(OCC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000743873651 1131997385 /nfs/dbraw/zinc/99/73/85/1131997385.db2.gz POVFZXCORMEGNN-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccc(OCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000743873651 1131997394 /nfs/dbraw/zinc/99/73/94/1131997394.db2.gz POVFZXCORMEGNN-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccc(OCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000743873651 1131997400 /nfs/dbraw/zinc/99/74/00/1131997400.db2.gz POVFZXCORMEGNN-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC001173270459 1132025541 /nfs/dbraw/zinc/02/55/41/1132025541.db2.gz CILPWSBWTVEQCR-YLJYHZDGSA-N 2 1 330.516 3.870 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173475427 1132074398 /nfs/dbraw/zinc/07/43/98/1132074398.db2.gz JBUPRBXXAPDDFL-CQSZACIVSA-N 2 1 330.422 3.529 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001173449009 1132079413 /nfs/dbraw/zinc/07/94/13/1132079413.db2.gz RLHBQEGWFBHXPB-CMKODMSKSA-N 2 1 346.515 3.609 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001173449009 1132079419 /nfs/dbraw/zinc/07/94/19/1132079419.db2.gz RLHBQEGWFBHXPB-CMKODMSKSA-N 2 1 346.515 3.609 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708150 1132130317 /nfs/dbraw/zinc/13/03/17/1132130317.db2.gz OGCIXQHPVDHCOS-RTWAWAEBSA-N 2 1 336.479 3.546 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708150 1132130321 /nfs/dbraw/zinc/13/03/21/1132130321.db2.gz OGCIXQHPVDHCOS-RTWAWAEBSA-N 2 1 336.479 3.546 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000181705973 1132140722 /nfs/dbraw/zinc/14/07/22/1132140722.db2.gz NESOBIXIFPBNOT-HXUWFJFHSA-N 2 1 331.548 3.781 20 0 EHADMP COCC[N@H+](Cc1cccc(OCC(C)C)c1)CC1CC[NH+](C)CC1 ZINC001175202971 1132586067 /nfs/dbraw/zinc/58/60/67/1132586067.db2.gz HXDPNTGMHJRGQH-UHFFFAOYSA-N 2 1 348.531 3.512 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001169094958 1132653559 /nfs/dbraw/zinc/65/35/59/1132653559.db2.gz NZNUPRIXUZRWLP-WKCHPHFGSA-N 2 1 334.463 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001169094958 1132653565 /nfs/dbraw/zinc/65/35/65/1132653565.db2.gz NZNUPRIXUZRWLP-WKCHPHFGSA-N 2 1 334.463 3.632 20 0 EHADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169119571 1132664085 /nfs/dbraw/zinc/66/40/85/1132664085.db2.gz UWFPAESCOZZSID-HRMJIJJXSA-N 2 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119571 1132664088 /nfs/dbraw/zinc/66/40/88/1132664088.db2.gz UWFPAESCOZZSID-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119571 1132664092 /nfs/dbraw/zinc/66/40/92/1132664092.db2.gz UWFPAESCOZZSID-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169119571 1132664099 /nfs/dbraw/zinc/66/40/99/1132664099.db2.gz UWFPAESCOZZSID-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169119571 1132664103 /nfs/dbraw/zinc/66/41/03/1132664103.db2.gz UWFPAESCOZZSID-HRMJIJJXSA-N 3 1 341.543 3.692 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[C@@H](c4ccccc4)CO3)CC1)C2 ZINC001169133953 1132666967 /nfs/dbraw/zinc/66/69/67/1132666967.db2.gz OIBHMJBPLFLPIK-CGXNFDGLSA-N 2 1 340.511 3.650 20 0 EHADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc[nH+]cc1C(F)(F)F ZINC001169174422 1132692988 /nfs/dbraw/zinc/69/29/88/1132692988.db2.gz SZMNKJNOOMDTSQ-UHFFFAOYSA-N 2 1 349.356 3.863 20 0 EHADMP CC[NH+]1CCC(N2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001169262204 1132704870 /nfs/dbraw/zinc/70/48/70/1132704870.db2.gz WKRWNIKLSYABJV-UHFFFAOYSA-N 2 1 349.950 3.721 20 0 EHADMP CCN1CCC([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240927 1132707593 /nfs/dbraw/zinc/70/75/93/1132707593.db2.gz FSSNSASWGUSJMA-WGSAOQKQSA-N 2 1 349.950 3.896 20 0 EHADMP CC[NH+]1CCC([N@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240927 1132707600 /nfs/dbraw/zinc/70/76/00/1132707600.db2.gz FSSNSASWGUSJMA-WGSAOQKQSA-N 3 1 349.950 3.896 20 0 EHADMP CC[NH+]1CCC([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240927 1132707605 /nfs/dbraw/zinc/70/76/05/1132707605.db2.gz FSSNSASWGUSJMA-WGSAOQKQSA-N 3 1 349.950 3.896 20 0 EHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643176 1132720746 /nfs/dbraw/zinc/72/07/46/1132720746.db2.gz NWKSQVDJQFMZCV-NHCUHLMSSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1 ZINC001175643176 1132720752 /nfs/dbraw/zinc/72/07/52/1132720752.db2.gz NWKSQVDJQFMZCV-NHCUHLMSSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1 ZINC001175643176 1132720753 /nfs/dbraw/zinc/72/07/53/1132720753.db2.gz NWKSQVDJQFMZCV-NHCUHLMSSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643176 1132720758 /nfs/dbraw/zinc/72/07/58/1132720758.db2.gz NWKSQVDJQFMZCV-NHCUHLMSSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643176 1132720763 /nfs/dbraw/zinc/72/07/63/1132720763.db2.gz NWKSQVDJQFMZCV-NHCUHLMSSA-N 2 1 330.516 3.524 20 0 EHADMP C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206012319 1132773658 /nfs/dbraw/zinc/77/36/58/1132773658.db2.gz KMSVBIYUTCQJOH-QWRGUYRKSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206012319 1132773666 /nfs/dbraw/zinc/77/36/66/1132773666.db2.gz KMSVBIYUTCQJOH-QWRGUYRKSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206012318 1132773823 /nfs/dbraw/zinc/77/38/23/1132773823.db2.gz KMSVBIYUTCQJOH-MNOVXSKESA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206012318 1132773826 /nfs/dbraw/zinc/77/38/26/1132773826.db2.gz KMSVBIYUTCQJOH-MNOVXSKESA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000067691305 1133068641 /nfs/dbraw/zinc/06/86/41/1133068641.db2.gz LIQOOJXKEBHKGA-GOSISDBHSA-N 2 1 326.488 3.617 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)cc2F)CC1 ZINC001206305093 1133073063 /nfs/dbraw/zinc/07/30/63/1133073063.db2.gz SSVLDVHORNKBEC-HNNXBMFYSA-N 2 1 329.257 3.539 20 0 EHADMP CC[C@H]1CCCC[N@H+]1CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177795074 1133103602 /nfs/dbraw/zinc/10/36/02/1133103602.db2.gz NPFZUTYAPCWNQS-RTWAWAEBSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@H]1CCCC[NH+]1CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795074 1133103605 /nfs/dbraw/zinc/10/36/05/1133103605.db2.gz NPFZUTYAPCWNQS-RTWAWAEBSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@H]1CCCC[NH+]1CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795074 1133103607 /nfs/dbraw/zinc/10/36/07/1133103607.db2.gz NPFZUTYAPCWNQS-RTWAWAEBSA-N 2 1 343.559 3.894 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000768229379 1133115566 /nfs/dbraw/zinc/11/55/66/1133115566.db2.gz KDLCFWUNTHUOSQ-UHFFFAOYSA-N 2 1 329.532 3.982 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000768229379 1133115569 /nfs/dbraw/zinc/11/55/69/1133115569.db2.gz KDLCFWUNTHUOSQ-UHFFFAOYSA-N 2 1 329.532 3.982 20 0 EHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1 ZINC000769381356 1133272803 /nfs/dbraw/zinc/27/28/03/1133272803.db2.gz NOBXSGBVKARFSQ-JOCHJYFZSA-N 2 1 349.522 3.565 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000769487351 1133290544 /nfs/dbraw/zinc/29/05/44/1133290544.db2.gz VVSCYBSTWDAIOT-AZUAARDMSA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000769487351 1133290550 /nfs/dbraw/zinc/29/05/50/1133290550.db2.gz VVSCYBSTWDAIOT-AZUAARDMSA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000769487351 1133290556 /nfs/dbraw/zinc/29/05/56/1133290556.db2.gz VVSCYBSTWDAIOT-AZUAARDMSA-N 2 1 329.532 3.839 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897847 1133294316 /nfs/dbraw/zinc/29/43/16/1133294316.db2.gz ABAJMTDSEOMSFX-FUHWJXTLSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897847 1133294321 /nfs/dbraw/zinc/29/43/21/1133294321.db2.gz ABAJMTDSEOMSFX-FUHWJXTLSA-N 2 1 348.531 3.786 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897847 1133294324 /nfs/dbraw/zinc/29/43/24/1133294324.db2.gz ABAJMTDSEOMSFX-FUHWJXTLSA-N 2 1 348.531 3.786 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769695759 1133330825 /nfs/dbraw/zinc/33/08/25/1133330825.db2.gz YTBGHMQVQRLHSQ-YESZJQIVSA-N 2 1 341.540 3.532 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769695759 1133330831 /nfs/dbraw/zinc/33/08/31/1133330831.db2.gz YTBGHMQVQRLHSQ-YESZJQIVSA-N 2 1 341.540 3.532 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769695756 1133330968 /nfs/dbraw/zinc/33/09/68/1133330968.db2.gz YTBGHMQVQRLHSQ-GVDBMIGSSA-N 2 1 341.540 3.532 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769695756 1133330973 /nfs/dbraw/zinc/33/09/73/1133330973.db2.gz YTBGHMQVQRLHSQ-GVDBMIGSSA-N 2 1 341.540 3.532 20 0 EHADMP CC(C)(C)[C@@]1(C[NH2+]CCC2(CO)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001181796472 1133528651 /nfs/dbraw/zinc/52/86/51/1133528651.db2.gz MSCZVAKDXQJJDB-JOCHJYFZSA-N 2 1 344.543 3.677 20 0 EHADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C[NH+](C)C ZINC001183754666 1133854861 /nfs/dbraw/zinc/85/48/61/1133854861.db2.gz HMDAQYHYPUTYND-QXAKKESOSA-N 2 1 338.923 3.923 20 0 EHADMP C[C@@H]1COCC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001183931000 1133874289 /nfs/dbraw/zinc/87/42/89/1133874289.db2.gz YUWLRVIGDGOXKF-UGKGYDQZSA-N 2 1 344.543 3.893 20 0 EHADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205303320 1133968068 /nfs/dbraw/zinc/96/80/68/1133968068.db2.gz CPBVPGNMCSKFLN-CMPLNLGQSA-N 2 1 336.785 3.655 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205303320 1133968072 /nfs/dbraw/zinc/96/80/72/1133968072.db2.gz CPBVPGNMCSKFLN-CMPLNLGQSA-N 2 1 336.785 3.655 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881067 1134098431 /nfs/dbraw/zinc/09/84/31/1134098431.db2.gz OSSDZCRPJVSWMV-NHCUHLMSSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881067 1134098437 /nfs/dbraw/zinc/09/84/37/1134098437.db2.gz OSSDZCRPJVSWMV-NHCUHLMSSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881067 1134098443 /nfs/dbraw/zinc/09/84/43/1134098443.db2.gz OSSDZCRPJVSWMV-NHCUHLMSSA-N 2 1 326.484 3.667 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000788483827 1134138088 /nfs/dbraw/zinc/13/80/88/1134138088.db2.gz XEKZLLRICVOOPY-MSOLQXFVSA-N 2 1 336.545 3.758 20 0 EHADMP Cc1c(C[N@@H+]2CCCC23CC[NH+](C)CC3)sc2nc(C)nc(C)c12 ZINC000789558716 1134300671 /nfs/dbraw/zinc/30/06/71/1134300671.db2.gz APXZRUNNROOKAU-UHFFFAOYSA-N 2 1 344.528 3.677 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)ccc1OC ZINC000775366385 1134671059 /nfs/dbraw/zinc/67/10/59/1134671059.db2.gz RNCMOUQRDRYZGM-KRWDZBQOSA-N 3 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000775391310 1134709709 /nfs/dbraw/zinc/70/97/09/1134709709.db2.gz CWJSORPVROFDML-FUHIMQAGSA-N 3 1 347.547 3.670 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000775391310 1134709713 /nfs/dbraw/zinc/70/97/13/1134709713.db2.gz CWJSORPVROFDML-FUHIMQAGSA-N 3 1 347.547 3.670 20 0 EHADMP Cc1c[nH]c2nc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)[nH+]cc12 ZINC001170330743 1134750300 /nfs/dbraw/zinc/75/03/00/1134750300.db2.gz TWXFJKLSNUBXIJ-NNZMDNLPSA-N 2 1 347.466 3.825 20 0 EHADMP Cc1c[nH]c2nc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[nH+]cc12 ZINC001170330743 1134750305 /nfs/dbraw/zinc/75/03/05/1134750305.db2.gz TWXFJKLSNUBXIJ-NNZMDNLPSA-N 2 1 347.466 3.825 20 0 EHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001205546620 1134770857 /nfs/dbraw/zinc/77/08/57/1134770857.db2.gz XGZSGINPOSHKCY-MRXNPFEDSA-N 2 1 332.385 3.791 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170426432 1134850565 /nfs/dbraw/zinc/85/05/65/1134850565.db2.gz RYFUOHQBHHOIBS-ZHALLVOQSA-N 2 1 344.499 3.861 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC001191838510 1134933523 /nfs/dbraw/zinc/93/35/23/1134933523.db2.gz JWEGQXAEMFEVBW-GOSISDBHSA-N 2 1 329.532 3.634 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n(C)n1 ZINC000793522902 1134946412 /nfs/dbraw/zinc/94/64/12/1134946412.db2.gz GSVCBTNMGLPLST-AEFFLSMTSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000793526388 1134948440 /nfs/dbraw/zinc/94/84/40/1134948440.db2.gz RHMNBAWWDQBEIU-FUHWJXTLSA-N 2 1 340.515 3.811 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001170444542 1135029944 /nfs/dbraw/zinc/02/99/44/1135029944.db2.gz UQOYLPNERNNKQX-KRWDZBQOSA-N 2 1 332.488 3.543 20 0 EHADMP Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205636840 1135151056 /nfs/dbraw/zinc/15/10/56/1135151056.db2.gz FNAGBLWOSDSQBL-AAEUAGOBSA-N 2 1 343.284 3.703 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@H](O)c2ccccc2)C1 ZINC000808727049 1135723728 /nfs/dbraw/zinc/72/37/28/1135723728.db2.gz CFLDRNVLVZQLIF-SBHAEUEKSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727049 1135723732 /nfs/dbraw/zinc/72/37/32/1135723732.db2.gz CFLDRNVLVZQLIF-SBHAEUEKSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727049 1135723736 /nfs/dbraw/zinc/72/37/36/1135723736.db2.gz CFLDRNVLVZQLIF-SBHAEUEKSA-N 2 1 330.516 3.697 20 0 EHADMP OCCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747531724 1135752189 /nfs/dbraw/zinc/75/21/89/1135752189.db2.gz NGRXEGINKQMWHW-QFIPXVFZSA-N 2 1 344.543 3.917 20 0 EHADMP OCCCCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747531724 1135752194 /nfs/dbraw/zinc/75/21/94/1135752194.db2.gz NGRXEGINKQMWHW-QFIPXVFZSA-N 2 1 344.543 3.917 20 0 EHADMP OCCCCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747531724 1135752196 /nfs/dbraw/zinc/75/21/96/1135752196.db2.gz NGRXEGINKQMWHW-QFIPXVFZSA-N 2 1 344.543 3.917 20 0 EHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C)o2)CC1 ZINC000105464823 1135948000 /nfs/dbraw/zinc/94/80/00/1135948000.db2.gz IMQTURKQCZDZBK-MRXNPFEDSA-N 2 1 345.462 3.720 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000776155863 1136006773 /nfs/dbraw/zinc/00/67/73/1136006773.db2.gz IYHWWPAUAPZABC-OTWHNJEPSA-N 2 1 334.479 3.756 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000776155863 1136006776 /nfs/dbraw/zinc/00/67/76/1136006776.db2.gz IYHWWPAUAPZABC-OTWHNJEPSA-N 2 1 334.479 3.756 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000776155864 1136006878 /nfs/dbraw/zinc/00/68/78/1136006878.db2.gz IYHWWPAUAPZABC-QRVBRYPASA-N 2 1 334.479 3.756 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000776155864 1136006880 /nfs/dbraw/zinc/00/68/80/1136006880.db2.gz IYHWWPAUAPZABC-QRVBRYPASA-N 2 1 334.479 3.756 20 0 EHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC001201392825 1136016073 /nfs/dbraw/zinc/01/60/73/1136016073.db2.gz FJIPDMBCBUJDIS-HKBOAZHASA-N 2 1 344.547 3.637 20 0 EHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001201392825 1136016077 /nfs/dbraw/zinc/01/60/77/1136016077.db2.gz FJIPDMBCBUJDIS-HKBOAZHASA-N 2 1 344.547 3.637 20 0 EHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001201392825 1136016080 /nfs/dbraw/zinc/01/60/80/1136016080.db2.gz FJIPDMBCBUJDIS-HKBOAZHASA-N 2 1 344.547 3.637 20 0 EHADMP Nc1nc2ccccc2n1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201469996 1136023939 /nfs/dbraw/zinc/02/39/39/1136023939.db2.gz HXSWJOFUZSZCJE-SJORKVTESA-N 2 1 330.435 3.896 20 0 EHADMP Nc1[nH+]c2ccccc2n1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201469996 1136023942 /nfs/dbraw/zinc/02/39/42/1136023942.db2.gz HXSWJOFUZSZCJE-SJORKVTESA-N 2 1 330.435 3.896 20 0 EHADMP Nc1[nH+]c2ccccc2n1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201469996 1136023946 /nfs/dbraw/zinc/02/39/46/1136023946.db2.gz HXSWJOFUZSZCJE-SJORKVTESA-N 2 1 330.435 3.896 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccccc3)C[C@H]21 ZINC001201603666 1136045668 /nfs/dbraw/zinc/04/56/68/1136045668.db2.gz LNPRYYITLFAFOF-YMPZKCBVSA-N 2 1 349.522 3.857 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccccc3)C[C@H]21 ZINC001201603666 1136045672 /nfs/dbraw/zinc/04/56/72/1136045672.db2.gz LNPRYYITLFAFOF-YMPZKCBVSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC001201603666 1136045676 /nfs/dbraw/zinc/04/56/76/1136045676.db2.gz LNPRYYITLFAFOF-YMPZKCBVSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001201603666 1136045679 /nfs/dbraw/zinc/04/56/79/1136045679.db2.gz LNPRYYITLFAFOF-YMPZKCBVSA-N 2 1 349.522 3.857 20 0 EHADMP FC1(F)CC[N@@H+](CC2CCCC2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001202167843 1136104764 /nfs/dbraw/zinc/10/47/64/1136104764.db2.gz WJFVBHLNBHAOJA-LJQANCHMSA-N 2 1 349.469 3.805 20 0 EHADMP FC1(F)CC[N@H+](CC2CCCC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001202167843 1136104765 /nfs/dbraw/zinc/10/47/65/1136104765.db2.gz WJFVBHLNBHAOJA-LJQANCHMSA-N 2 1 349.469 3.805 20 0 EHADMP FC1(F)CC[N@@H+](CC2CCCC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001202167843 1136104766 /nfs/dbraw/zinc/10/47/66/1136104766.db2.gz WJFVBHLNBHAOJA-LJQANCHMSA-N 2 1 349.469 3.805 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2CNc2ccc3[nH]c[nH+]c3c2)CC1 ZINC001202350102 1136127215 /nfs/dbraw/zinc/12/72/15/1136127215.db2.gz QHLXAZPEWSCGEY-UHFFFAOYSA-N 2 1 349.482 3.707 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789025 1136362220 /nfs/dbraw/zinc/36/22/20/1136362220.db2.gz GRNKLOFTNOWMLJ-VWWARQNISA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813881842 1136371674 /nfs/dbraw/zinc/37/16/74/1136371674.db2.gz WGTWCASFOPHANS-AMGDKJTDSA-N 2 1 342.527 3.977 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728354 1136480388 /nfs/dbraw/zinc/48/03/88/1136480388.db2.gz ASNDOYRGOWSWEB-ROUUACIJSA-N 2 1 335.879 3.583 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1SC(F)F ZINC000854222298 1136599040 /nfs/dbraw/zinc/59/90/40/1136599040.db2.gz DIYQXAJPPZUENC-NSHDSACASA-N 2 1 330.444 3.932 20 0 EHADMP COC(C)(C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000815628963 1136621452 /nfs/dbraw/zinc/62/14/52/1136621452.db2.gz PCDALCWCYXGKSN-VOBGVNJCSA-N 2 1 330.516 3.975 20 0 EHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170824333 1136716806 /nfs/dbraw/zinc/71/68/06/1136716806.db2.gz YIRSLHWVJLCXOG-INIZCTEOSA-N 2 1 345.874 3.579 20 0 EHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170836231 1136739287 /nfs/dbraw/zinc/73/92/87/1136739287.db2.gz XLSNSHLEYRUWJB-LJQANCHMSA-N 2 1 336.907 3.805 20 0 EHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170836231 1136739291 /nfs/dbraw/zinc/73/92/91/1136739291.db2.gz XLSNSHLEYRUWJB-LJQANCHMSA-N 2 1 336.907 3.805 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCCCC3)C2)ccn1 ZINC000856551953 1136793958 /nfs/dbraw/zinc/79/39/58/1136793958.db2.gz DREJAZMUEGJODP-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CCCCC3)C2)ccn1 ZINC000856551953 1136793961 /nfs/dbraw/zinc/79/39/61/1136793961.db2.gz DREJAZMUEGJODP-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCCCC3)C2)ccn1 ZINC000856551953 1136793965 /nfs/dbraw/zinc/79/39/65/1136793965.db2.gz DREJAZMUEGJODP-FQEVSTJZSA-N 2 1 331.504 3.567 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCCCCC3)C2)ccn1 ZINC000856552940 1136794322 /nfs/dbraw/zinc/79/43/22/1136794322.db2.gz ISYKJPQVLWYCKD-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCCCCC3)C2)ccn1 ZINC000856552940 1136794323 /nfs/dbraw/zinc/79/43/23/1136794323.db2.gz ISYKJPQVLWYCKD-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)ccn1 ZINC000856552940 1136794326 /nfs/dbraw/zinc/79/43/26/1136794326.db2.gz ISYKJPQVLWYCKD-OAQYLSRUSA-N 2 1 345.531 3.957 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3sccc3C)C2)ccn1 ZINC000856556233 1136794896 /nfs/dbraw/zinc/79/48/96/1136794896.db2.gz VBHLQCKDNKZPBU-SFHVURJKSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3sccc3C)C2)ccn1 ZINC000856556233 1136794899 /nfs/dbraw/zinc/79/48/99/1136794899.db2.gz VBHLQCKDNKZPBU-SFHVURJKSA-N 2 1 345.512 3.557 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3sccc3C)C2)ccn1 ZINC000856556233 1136794902 /nfs/dbraw/zinc/79/49/02/1136794902.db2.gz VBHLQCKDNKZPBU-SFHVURJKSA-N 2 1 345.512 3.557 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCCCC3)C2)ccn1 ZINC000856561203 1136795354 /nfs/dbraw/zinc/79/53/54/1136795354.db2.gz UGXXACQYUPMGMS-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CCCCC3)C2)ccn1 ZINC000856561203 1136795357 /nfs/dbraw/zinc/79/53/57/1136795357.db2.gz UGXXACQYUPMGMS-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCCCC3)C2)ccn1 ZINC000856561203 1136795360 /nfs/dbraw/zinc/79/53/60/1136795360.db2.gz UGXXACQYUPMGMS-NRFANRHFSA-N 2 1 345.531 3.955 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561474 1136795644 /nfs/dbraw/zinc/79/56/44/1136795644.db2.gz VRFQUTCSORFYJW-GHTZIAJQSA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561474 1136795646 /nfs/dbraw/zinc/79/56/46/1136795646.db2.gz VRFQUTCSORFYJW-GHTZIAJQSA-N 2 1 343.515 3.731 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561474 1136795650 /nfs/dbraw/zinc/79/56/50/1136795650.db2.gz VRFQUTCSORFYJW-GHTZIAJQSA-N 2 1 343.515 3.731 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC34CCC(CC3)C4)C2)ccn1 ZINC000856584927 1136797310 /nfs/dbraw/zinc/79/73/10/1136797310.db2.gz UWNXPRFXHWTINJ-SGDIKTSBSA-N 2 1 343.515 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC34CCC(CC3)C4)C2)ccn1 ZINC000856584927 1136797311 /nfs/dbraw/zinc/79/73/11/1136797311.db2.gz UWNXPRFXHWTINJ-SGDIKTSBSA-N 2 1 343.515 3.567 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)ccn1 ZINC000856584927 1136797312 /nfs/dbraw/zinc/79/73/12/1136797312.db2.gz UWNXPRFXHWTINJ-SGDIKTSBSA-N 2 1 343.515 3.567 20 0 EHADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC(C)C ZINC000817898838 1136844211 /nfs/dbraw/zinc/84/42/11/1136844211.db2.gz BPRAVQJBOHBQQS-APWZRJJASA-N 2 1 342.483 3.531 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926302 1136846958 /nfs/dbraw/zinc/84/69/58/1136846958.db2.gz FEAGNYOIDFTPNA-HONMWMINSA-N 2 1 329.271 3.795 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817950505 1136850371 /nfs/dbraw/zinc/85/03/71/1136850371.db2.gz YVVREKXJCJQKSH-MRXNPFEDSA-N 3 1 334.467 3.533 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817950503 1136850705 /nfs/dbraw/zinc/85/07/05/1136850705.db2.gz YVVREKXJCJQKSH-INIZCTEOSA-N 3 1 334.467 3.533 20 0 EHADMP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000818339902 1136871937 /nfs/dbraw/zinc/87/19/37/1136871937.db2.gz FXCABCIWUWMLPF-IAGOWNOFSA-N 2 1 343.515 3.603 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001136174251 1136900954 /nfs/dbraw/zinc/90/09/54/1136900954.db2.gz GZDXIEYBCUCRJF-IBGZPJMESA-N 2 1 331.504 3.587 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000819100038 1136908110 /nfs/dbraw/zinc/90/81/10/1136908110.db2.gz CPKBQZYTUCSCNL-HHXXYDBFSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000819100038 1136908114 /nfs/dbraw/zinc/90/81/14/1136908114.db2.gz CPKBQZYTUCSCNL-HHXXYDBFSA-N 2 1 348.487 3.593 20 0 EHADMP c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000857854380 1136913825 /nfs/dbraw/zinc/91/38/25/1136913825.db2.gz LWPDHCZJYCHYMT-FQEVSTJZSA-N 2 1 338.499 3.953 20 0 EHADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000857854380 1136913829 /nfs/dbraw/zinc/91/38/29/1136913829.db2.gz LWPDHCZJYCHYMT-FQEVSTJZSA-N 2 1 338.499 3.953 20 0 EHADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819151892 1136914644 /nfs/dbraw/zinc/91/46/44/1136914644.db2.gz HIKDBVOHLIPJGK-DYVFJYSZSA-N 2 1 345.314 3.594 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283032 1136931276 /nfs/dbraw/zinc/93/12/76/1136931276.db2.gz FRDWUOXPCSBILS-YADHBBJMSA-N 2 1 338.495 3.530 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]c(CO)c2)cc1 ZINC000858350374 1136960655 /nfs/dbraw/zinc/96/06/55/1136960655.db2.gz UCLJTRXNXIZXSC-INIZCTEOSA-N 2 1 325.456 3.560 20 0 EHADMP C[C@H]1CC[N@@H+](CCOc2ccc(N[C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000858397107 1136964525 /nfs/dbraw/zinc/96/45/25/1136964525.db2.gz IZCWARIASWPKMK-PKOBYXMFSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397107 1136964528 /nfs/dbraw/zinc/96/45/28/1136964528.db2.gz IZCWARIASWPKMK-PKOBYXMFSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397107 1136964530 /nfs/dbraw/zinc/96/45/30/1136964530.db2.gz IZCWARIASWPKMK-PKOBYXMFSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000173405704 1137029715 /nfs/dbraw/zinc/02/97/15/1137029715.db2.gz VRXFKEOSYCJMCZ-RHSMWYFYSA-N 2 1 344.421 3.593 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3C)c2C1 ZINC001136583140 1137058510 /nfs/dbraw/zinc/05/85/10/1137058510.db2.gz JUHMBXFTKLJGEI-UHFFFAOYSA-N 2 1 334.423 3.621 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3C)c2C1 ZINC001136583140 1137058511 /nfs/dbraw/zinc/05/85/11/1137058511.db2.gz JUHMBXFTKLJGEI-UHFFFAOYSA-N 2 1 334.423 3.621 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3F)C2)CC1 ZINC001143791634 1137200350 /nfs/dbraw/zinc/20/03/50/1137200350.db2.gz XPZYNOSPMTZVRC-UHFFFAOYSA-N 2 1 346.368 3.642 20 0 EHADMP C[N@@H+](Cc1cc(Br)cc2cccnc21)C1CCC([NH3+])CC1 ZINC000844221045 1137203314 /nfs/dbraw/zinc/20/33/14/1137203314.db2.gz RCXHXGIUGIEZIY-UHFFFAOYSA-N 2 1 348.288 3.699 20 0 EHADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CCC([NH3+])CC1 ZINC000844221432 1137203690 /nfs/dbraw/zinc/20/36/90/1137203690.db2.gz ZVVKNZWNJWVQMY-UHFFFAOYSA-N 2 1 334.467 3.703 20 0 EHADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794670421 1137222640 /nfs/dbraw/zinc/22/26/40/1137222640.db2.gz LBOATKJOQSOEOC-BDTNDASRSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794670421 1137222642 /nfs/dbraw/zinc/22/26/42/1137222642.db2.gz LBOATKJOQSOEOC-BDTNDASRSA-N 2 1 338.495 3.925 20 0 EHADMP C[N@H+](Cc1ccc2cc[nH]c2n1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144186897 1137251253 /nfs/dbraw/zinc/25/12/53/1137251253.db2.gz MQFBMJPNXIYLRG-UHFFFAOYSA-N 2 1 326.488 3.792 20 0 EHADMP C[N@@H+](Cc1ccc2cc[nH]c2n1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144186897 1137251254 /nfs/dbraw/zinc/25/12/54/1137251254.db2.gz MQFBMJPNXIYLRG-UHFFFAOYSA-N 2 1 326.488 3.792 20 0 EHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)CC2 ZINC001202518861 1137300980 /nfs/dbraw/zinc/30/09/80/1137300980.db2.gz AHTPNRZAURXWMC-UXHICEINSA-N 2 1 330.516 3.653 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246571287 1137301592 /nfs/dbraw/zinc/30/15/92/1137301592.db2.gz BAUVMNHIVFVRNR-PBHICJAKSA-N 2 1 339.321 3.831 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000865783934 1137311680 /nfs/dbraw/zinc/31/16/80/1137311680.db2.gz WGDUGNMOQJIVJY-MVWVFHAYSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000865783934 1137311681 /nfs/dbraw/zinc/31/16/81/1137311681.db2.gz WGDUGNMOQJIVJY-MVWVFHAYSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866237121 1137337708 /nfs/dbraw/zinc/33/77/08/1137337708.db2.gz HNONXWJSWHDTLP-IBGZPJMESA-N 2 1 337.511 3.965 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000866473547 1137357820 /nfs/dbraw/zinc/35/78/20/1137357820.db2.gz GIWRBUMEOGZOQD-UHFFFAOYSA-N 2 1 327.447 3.754 20 0 EHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC000846698544 1137362194 /nfs/dbraw/zinc/36/21/94/1137362194.db2.gz IUGLWILUOVNTOJ-CRAIPNDOSA-N 2 1 328.431 3.716 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C3([C@H]4CCCCO4)CCC3)CC2)cc1 ZINC000866621749 1137370549 /nfs/dbraw/zinc/37/05/49/1137370549.db2.gz JRKJZFARAKXYQW-HXUWFJFHSA-N 2 1 328.500 3.732 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000846858562 1137372461 /nfs/dbraw/zinc/37/24/61/1137372461.db2.gz UOHMFPGFCIEBFS-OAHLLOKOSA-N 2 1 337.389 3.861 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000846858562 1137372463 /nfs/dbraw/zinc/37/24/63/1137372463.db2.gz UOHMFPGFCIEBFS-OAHLLOKOSA-N 2 1 337.389 3.861 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000866705197 1137374584 /nfs/dbraw/zinc/37/45/84/1137374584.db2.gz VKGUDIYNSUTLOB-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000866705197 1137374585 /nfs/dbraw/zinc/37/45/85/1137374585.db2.gz VKGUDIYNSUTLOB-IBGZPJMESA-N 2 1 331.435 3.678 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001171300060 1137401863 /nfs/dbraw/zinc/40/18/63/1137401863.db2.gz VUHWAWWCEAURDK-LVQVYYBASA-N 2 1 348.918 3.811 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001171300060 1137401864 /nfs/dbraw/zinc/40/18/64/1137401864.db2.gz VUHWAWWCEAURDK-LVQVYYBASA-N 2 1 348.918 3.811 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000348108242 1137445558 /nfs/dbraw/zinc/44/55/58/1137445558.db2.gz KKTOYTKIMJGTRR-RTBURBONSA-N 2 1 340.515 3.567 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000348108242 1137445560 /nfs/dbraw/zinc/44/55/60/1137445560.db2.gz KKTOYTKIMJGTRR-RTBURBONSA-N 2 1 340.515 3.567 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000712450652 1137468352 /nfs/dbraw/zinc/46/83/52/1137468352.db2.gz JCCHJGJNVSLKLW-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP OCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714960755 1137474783 /nfs/dbraw/zinc/47/47/83/1137474783.db2.gz JBKGIVZGOJRQLI-SFTDATJTSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714960755 1137474784 /nfs/dbraw/zinc/47/47/84/1137474784.db2.gz JBKGIVZGOJRQLI-SFTDATJTSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714960755 1137474785 /nfs/dbraw/zinc/47/47/85/1137474785.db2.gz JBKGIVZGOJRQLI-SFTDATJTSA-N 2 1 330.516 3.526 20 0 EHADMP FC(F)(F)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716626743 1137487906 /nfs/dbraw/zinc/48/79/06/1137487906.db2.gz QJMQNEKXBUJDHA-BBWFWOEESA-N 2 1 326.406 3.972 20 0 EHADMP CS[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716635326 1137488115 /nfs/dbraw/zinc/48/81/15/1137488115.db2.gz FHQMEITZNRZDQH-MFKWGIFDSA-N 2 1 330.541 3.913 20 0 EHADMP COCCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716690725 1137488437 /nfs/dbraw/zinc/48/84/37/1137488437.db2.gz GMMCUINPYRUBBE-UFYCRDLUSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1ncsc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693139 1137488443 /nfs/dbraw/zinc/48/84/43/1137488443.db2.gz NXKANFRIOIYAJF-FHWLQOOXSA-N 2 1 341.524 3.637 20 0 EHADMP COc1cc2c(cc1OC)C[NH+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171640270 1137504561 /nfs/dbraw/zinc/50/45/61/1137504561.db2.gz AEPJKFYXELPGRO-UHFFFAOYSA-N 2 1 332.488 3.671 20 0 EHADMP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171725738 1137506256 /nfs/dbraw/zinc/50/62/56/1137506256.db2.gz BUFRPDMJLBODPG-XLIONFOSSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738443 1137510866 /nfs/dbraw/zinc/51/08/66/1137510866.db2.gz JBBJPNCYNHDZOB-HMXCVIKNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738443 1137510868 /nfs/dbraw/zinc/51/08/68/1137510868.db2.gz JBBJPNCYNHDZOB-HMXCVIKNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738443 1137510869 /nfs/dbraw/zinc/51/08/69/1137510869.db2.gz JBBJPNCYNHDZOB-HMXCVIKNSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1C[C@H](n2cnc(-c3ccc(C[NH3+])cc3)c2)C[N@H+]1Cc1ccccc1 ZINC001171740724 1137511230 /nfs/dbraw/zinc/51/12/30/1137511230.db2.gz LDKCRIAVQGVYDT-UWJYYQICSA-N 2 1 346.478 3.844 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001171963166 1137519773 /nfs/dbraw/zinc/51/97/73/1137519773.db2.gz DRRCUHAKIFPYHP-RHSMWYFYSA-N 2 1 326.406 3.664 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001171963166 1137519775 /nfs/dbraw/zinc/51/97/75/1137519775.db2.gz DRRCUHAKIFPYHP-RHSMWYFYSA-N 2 1 326.406 3.664 20 0 EHADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171965837 1137520265 /nfs/dbraw/zinc/52/02/65/1137520265.db2.gz RTTNMVYLOKNZLA-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC1(C)C[C@H](N2C[C@@H](C[NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974585 1137524764 /nfs/dbraw/zinc/52/47/64/1137524764.db2.gz HZXVFQBGZVEYLQ-WOJBJXKFSA-N 2 1 349.522 3.992 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976090 1137525161 /nfs/dbraw/zinc/52/51/61/1137525161.db2.gz HZQGGNXPNBBEBL-UXHICEINSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976090 1137525162 /nfs/dbraw/zinc/52/51/62/1137525162.db2.gz HZQGGNXPNBBEBL-UXHICEINSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976090 1137525164 /nfs/dbraw/zinc/52/51/64/1137525164.db2.gz HZQGGNXPNBBEBL-UXHICEINSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976087 1137525581 /nfs/dbraw/zinc/52/55/81/1137525581.db2.gz HZQGGNXPNBBEBL-PMACEKPBSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976087 1137525583 /nfs/dbraw/zinc/52/55/83/1137525583.db2.gz HZQGGNXPNBBEBL-PMACEKPBSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171976087 1137525585 /nfs/dbraw/zinc/52/55/85/1137525585.db2.gz HZQGGNXPNBBEBL-PMACEKPBSA-N 2 1 330.516 3.524 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@](O)(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977356 1137525850 /nfs/dbraw/zinc/52/58/50/1137525850.db2.gz QOKGOBMVOZHNBR-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977356 1137525852 /nfs/dbraw/zinc/52/58/52/1137525852.db2.gz QOKGOBMVOZHNBR-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](O)(CF)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977356 1137525855 /nfs/dbraw/zinc/52/58/55/1137525855.db2.gz QOKGOBMVOZHNBR-CTNGQTDRSA-N 2 1 348.506 3.616 20 0 EHADMP CC1(C)C[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977392 1137526209 /nfs/dbraw/zinc/52/62/09/1137526209.db2.gz BGPVHPSGDLGIQI-SFTDATJTSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171977392 1137526211 /nfs/dbraw/zinc/52/62/11/1137526211.db2.gz BGPVHPSGDLGIQI-SFTDATJTSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171977392 1137526213 /nfs/dbraw/zinc/52/62/13/1137526213.db2.gz BGPVHPSGDLGIQI-SFTDATJTSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+](CC1(C)COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075143 1137530432 /nfs/dbraw/zinc/53/04/32/1137530432.db2.gz ODAXHBHINNWJLR-PMOLBWCYSA-N 2 1 328.500 3.540 20 0 EHADMP C[NH+](CC1(C)COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075143 1137530433 /nfs/dbraw/zinc/53/04/33/1137530433.db2.gz ODAXHBHINNWJLR-PMOLBWCYSA-N 2 1 328.500 3.540 20 0 EHADMP C[NH+](CC1(C)COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075143 1137530434 /nfs/dbraw/zinc/53/04/34/1137530434.db2.gz ODAXHBHINNWJLR-PMOLBWCYSA-N 2 1 328.500 3.540 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082119 1137531679 /nfs/dbraw/zinc/53/16/79/1137531679.db2.gz JMBWWRBEDOEJCS-LXHROKJGSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082119 1137531681 /nfs/dbraw/zinc/53/16/81/1137531681.db2.gz JMBWWRBEDOEJCS-LXHROKJGSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082119 1137531683 /nfs/dbraw/zinc/53/16/83/1137531683.db2.gz JMBWWRBEDOEJCS-LXHROKJGSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@H]4OCC[C@@H]4C2)C3)cc1 ZINC001172082119 1137531684 /nfs/dbraw/zinc/53/16/84/1137531684.db2.gz JMBWWRBEDOEJCS-LXHROKJGSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084603 1137531793 /nfs/dbraw/zinc/53/17/93/1137531793.db2.gz YZQIYSPROWWBSF-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084603 1137531794 /nfs/dbraw/zinc/53/17/94/1137531794.db2.gz YZQIYSPROWWBSF-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084603 1137531796 /nfs/dbraw/zinc/53/17/96/1137531796.db2.gz YZQIYSPROWWBSF-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@@]24CCOC4)C3)cc1 ZINC001172084603 1137531797 /nfs/dbraw/zinc/53/17/97/1137531797.db2.gz YZQIYSPROWWBSF-LRSLUSHPSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001172089324 1137531888 /nfs/dbraw/zinc/53/18/88/1137531888.db2.gz QZAZQBRYYNPNBQ-REPLKXPHSA-N 2 1 328.525 3.621 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC4(CSC4)C2)C3)cc1 ZINC001172089324 1137531889 /nfs/dbraw/zinc/53/18/89/1137531889.db2.gz QZAZQBRYYNPNBQ-REPLKXPHSA-N 2 1 328.525 3.621 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC001172101659 1137532252 /nfs/dbraw/zinc/53/22/52/1137532252.db2.gz HFHOXIYRDVUTER-BJWYYQGGSA-N 2 1 327.497 3.915 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC001172064979 1137533005 /nfs/dbraw/zinc/53/30/05/1137533005.db2.gz GOVZQLFDKHPAQQ-YSTOQKLRSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1CO ZINC001172067509 1137533751 /nfs/dbraw/zinc/53/37/51/1137533751.db2.gz CPQXIHRBLROCOA-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1CO ZINC001172067509 1137533752 /nfs/dbraw/zinc/53/37/52/1137533752.db2.gz CPQXIHRBLROCOA-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1CO ZINC001172067509 1137533754 /nfs/dbraw/zinc/53/37/54/1137533754.db2.gz CPQXIHRBLROCOA-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1CO ZINC001172067509 1137533755 /nfs/dbraw/zinc/53/37/55/1137533755.db2.gz CPQXIHRBLROCOA-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068116 1137534333 /nfs/dbraw/zinc/53/43/33/1137534333.db2.gz HMJGLKVTZKWVPP-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068116 1137534334 /nfs/dbraw/zinc/53/43/34/1137534334.db2.gz HMJGLKVTZKWVPP-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068116 1137534336 /nfs/dbraw/zinc/53/43/36/1137534336.db2.gz HMJGLKVTZKWVPP-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068116 1137534337 /nfs/dbraw/zinc/53/43/37/1137534337.db2.gz HMJGLKVTZKWVPP-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069926 1137534775 /nfs/dbraw/zinc/53/47/75/1137534775.db2.gz VXVIYLZHEFIBPC-AYWYSENESA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC001172069926 1137534777 /nfs/dbraw/zinc/53/47/77/1137534777.db2.gz VXVIYLZHEFIBPC-AYWYSENESA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC001172069926 1137534778 /nfs/dbraw/zinc/53/47/78/1137534778.db2.gz VXVIYLZHEFIBPC-AYWYSENESA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC001172069926 1137534780 /nfs/dbraw/zinc/53/47/80/1137534780.db2.gz VXVIYLZHEFIBPC-AYWYSENESA-N 2 1 328.500 3.683 20 0 EHADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128778 1137535662 /nfs/dbraw/zinc/53/56/62/1137535662.db2.gz UBSHHYRWMYGVRI-LRSLUSHPSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128778 1137535664 /nfs/dbraw/zinc/53/56/64/1137535664.db2.gz UBSHHYRWMYGVRI-LRSLUSHPSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128778 1137535665 /nfs/dbraw/zinc/53/56/65/1137535665.db2.gz UBSHHYRWMYGVRI-LRSLUSHPSA-N 2 1 341.543 3.598 20 0 EHADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172132011 1137535952 /nfs/dbraw/zinc/53/59/52/1137535952.db2.gz IVJQRMZDKUUSBO-XFKSJGNHSA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172132011 1137535954 /nfs/dbraw/zinc/53/59/54/1137535954.db2.gz IVJQRMZDKUUSBO-XFKSJGNHSA-N 2 1 346.540 3.800 20 0 EHADMP COc1cccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172132011 1137535955 /nfs/dbraw/zinc/53/59/55/1137535955.db2.gz IVJQRMZDKUUSBO-XFKSJGNHSA-N 2 1 346.540 3.800 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccccc1Br)C2 ZINC001172102233 1137536546 /nfs/dbraw/zinc/53/65/46/1137536546.db2.gz LBYJSVCFWNRBKY-MUJYYYPQSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cc(Br)cs1)C2 ZINC001172110825 1137536918 /nfs/dbraw/zinc/53/69/18/1137536918.db2.gz PRMWCFCCCACHIP-BTTYYORXSA-N 2 1 343.334 3.658 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109177 1137537006 /nfs/dbraw/zinc/53/70/06/1137537006.db2.gz HLSOAPOVXVBCFW-BJWYYQGGSA-N 2 1 337.305 3.862 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001172107176 1137537380 /nfs/dbraw/zinc/53/73/80/1137537380.db2.gz UCLQJQSZPBBQLT-CNDDSTCGSA-N 2 1 329.307 3.616 20 0 EHADMP COc1cccc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122417 1137538767 /nfs/dbraw/zinc/53/87/67/1137538767.db2.gz QBHZZCCCBSVIQT-NYUBLWNDSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122417 1137538768 /nfs/dbraw/zinc/53/87/68/1137538768.db2.gz QBHZZCCCBSVIQT-NYUBLWNDSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172122417 1137538770 /nfs/dbraw/zinc/53/87/70/1137538770.db2.gz QBHZZCCCBSVIQT-NYUBLWNDSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172122417 1137538772 /nfs/dbraw/zinc/53/87/72/1137538772.db2.gz QBHZZCCCBSVIQT-NYUBLWNDSA-N 2 1 344.499 3.554 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121338 1137539027 /nfs/dbraw/zinc/53/90/27/1137539027.db2.gz DPCGCTCCCWLHQO-VUHPKUFZSA-N 2 1 331.529 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121338 1137539029 /nfs/dbraw/zinc/53/90/29/1137539029.db2.gz DPCGCTCCCWLHQO-VUHPKUFZSA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121338 1137539030 /nfs/dbraw/zinc/53/90/30/1137539030.db2.gz DPCGCTCCCWLHQO-VUHPKUFZSA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121338 1137539032 /nfs/dbraw/zinc/53/90/32/1137539032.db2.gz DPCGCTCCCWLHQO-VUHPKUFZSA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CSc2ccccc2C1)c1ccccc1 ZINC001172190374 1137539561 /nfs/dbraw/zinc/53/95/61/1137539561.db2.gz KZLMGUMJUHSYGJ-MOPGFXCFSA-N 2 1 326.509 3.986 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220656 1137541979 /nfs/dbraw/zinc/54/19/79/1137541979.db2.gz HZAJOZJDHZOELO-RAFMOHDBSA-N 2 1 328.500 3.587 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220656 1137541980 /nfs/dbraw/zinc/54/19/80/1137541980.db2.gz HZAJOZJDHZOELO-RAFMOHDBSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CSc2ccccc2C1 ZINC001172200176 1137543530 /nfs/dbraw/zinc/54/35/30/1137543530.db2.gz IKNDCELFWDAPSJ-VQIMIIECSA-N 2 1 326.509 3.800 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172283760 1137547931 /nfs/dbraw/zinc/54/79/31/1137547931.db2.gz LDNJXFWTTGZDEF-SJLPKXTDSA-N 2 1 332.488 3.524 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172421273 1137556492 /nfs/dbraw/zinc/55/64/92/1137556492.db2.gz RNICTUQQLMZGHY-HKUYNNGSSA-N 2 1 334.504 3.771 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cc(O)ccc1F ZINC000872022051 1137565261 /nfs/dbraw/zinc/56/52/61/1137565261.db2.gz WCIULUOWHRGKIX-HNNXBMFYSA-N 2 1 328.431 3.978 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000872040251 1137567038 /nfs/dbraw/zinc/56/70/38/1137567038.db2.gz WUCTZMACPUWBCU-ZMMAXQRCSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000872040251 1137567039 /nfs/dbraw/zinc/56/70/39/1137567039.db2.gz WUCTZMACPUWBCU-ZMMAXQRCSA-N 2 1 336.545 3.926 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC23CC3)cc1 ZINC000872105760 1137571270 /nfs/dbraw/zinc/57/12/70/1137571270.db2.gz BKFCVUOEDPZODP-TUFLPTIASA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC23CC3)cc1 ZINC000872105760 1137571271 /nfs/dbraw/zinc/57/12/71/1137571271.db2.gz BKFCVUOEDPZODP-TUFLPTIASA-N 2 1 340.511 3.731 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](CCCc2cccc3ccccc32)C[C@H]1C(F)(F)F ZINC000872149214 1137573901 /nfs/dbraw/zinc/57/39/01/1137573901.db2.gz MJJWMURJBYLLJI-FUHWJXTLSA-N 2 1 336.401 3.841 20 0 EHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1)C1CCCC1 ZINC000872158001 1137574337 /nfs/dbraw/zinc/57/43/37/1137574337.db2.gz RGKKDSHGLQEJOQ-GXTWGEPZSA-N 2 1 327.925 3.916 20 0 EHADMP COCCCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873203881 1137593867 /nfs/dbraw/zinc/59/38/67/1137593867.db2.gz ROVDWFPINKAXSV-UHFFFAOYSA-N 2 1 344.524 3.823 20 0 EHADMP c1c(C[N@H+]2CCSC[C@@H]2c2ccccc2)sc2c1C[NH2+]CC2 ZINC000873202405 1137593985 /nfs/dbraw/zinc/59/39/85/1137593985.db2.gz QHBJXMSJXUPMGF-QGZVFWFLSA-N 2 1 330.522 3.684 20 0 EHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231319 1137594520 /nfs/dbraw/zinc/59/45/20/1137594520.db2.gz FUCKTLBXROFLCO-UHFFFAOYSA-N 2 1 332.467 3.579 20 0 EHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CC1(F)F ZINC000876866886 1137664138 /nfs/dbraw/zinc/66/41/38/1137664138.db2.gz MDSPCXVEZWTJBA-KDOFPFPSSA-N 2 1 337.458 3.920 20 0 EHADMP Fc1cccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000877114977 1137670413 /nfs/dbraw/zinc/67/04/13/1137670413.db2.gz FYQZVFJKFIBVQP-QFBILLFUSA-N 2 1 325.431 3.678 20 0 EHADMP CCOC(CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OCC ZINC000877467019 1137677101 /nfs/dbraw/zinc/67/71/01/1137677101.db2.gz VMKSIFAUJSUQJJ-AZUAARDMSA-N 2 1 346.515 3.733 20 0 EHADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OCC ZINC000877467019 1137677102 /nfs/dbraw/zinc/67/71/02/1137677102.db2.gz VMKSIFAUJSUQJJ-AZUAARDMSA-N 2 1 346.515 3.733 20 0 EHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000879209785 1137741261 /nfs/dbraw/zinc/74/12/61/1137741261.db2.gz OSZLHAFLAHPMRY-GOSISDBHSA-N 2 1 342.483 3.807 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCC4(COC4)CC3)CC23CC3)cc1 ZINC000883382335 1137858363 /nfs/dbraw/zinc/85/83/63/1137858363.db2.gz FBCICFSXRKACRR-HXUWFJFHSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCC4(COC4)CC3)CC23CC3)cc1 ZINC000883382335 1137858364 /nfs/dbraw/zinc/85/83/64/1137858364.db2.gz FBCICFSXRKACRR-HXUWFJFHSA-N 2 1 340.511 3.732 20 0 EHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348284866 1137896541 /nfs/dbraw/zinc/89/65/41/1137896541.db2.gz LGMBDHZZMQMMIG-ZTFGCOKTSA-N 2 1 341.455 3.563 20 0 EHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001202656081 1137908998 /nfs/dbraw/zinc/90/89/98/1137908998.db2.gz QXEVOLPAIYAIJN-GVDBMIGSSA-N 2 1 341.540 3.532 20 0 EHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001202656081 1137908999 /nfs/dbraw/zinc/90/89/99/1137908999.db2.gz QXEVOLPAIYAIJN-GVDBMIGSSA-N 2 1 341.540 3.532 20 0 EHADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000120773530 1137952345 /nfs/dbraw/zinc/95/23/45/1137952345.db2.gz MLNPCPSTGKDYIS-MWTRTKDXSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000120773530 1137952346 /nfs/dbraw/zinc/95/23/46/1137952346.db2.gz MLNPCPSTGKDYIS-MWTRTKDXSA-N 2 1 336.545 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000120773530 1137952347 /nfs/dbraw/zinc/95/23/47/1137952347.db2.gz MLNPCPSTGKDYIS-MWTRTKDXSA-N 2 1 336.545 3.729 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000885953899 1138028088 /nfs/dbraw/zinc/02/80/88/1138028088.db2.gz ISVKRXJDVMKBMW-IBGZPJMESA-N 2 1 340.515 3.617 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000885953899 1138028090 /nfs/dbraw/zinc/02/80/90/1138028090.db2.gz ISVKRXJDVMKBMW-IBGZPJMESA-N 2 1 340.515 3.617 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886534134 1138091585 /nfs/dbraw/zinc/09/15/85/1138091585.db2.gz BJFDGBGYJFBYAY-MBDNFAEBSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000886537078 1138092610 /nfs/dbraw/zinc/09/26/10/1138092610.db2.gz SWHKIINBOAUOKR-WMQCIHAUSA-N 2 1 340.515 3.760 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000886537078 1138092612 /nfs/dbraw/zinc/09/26/12/1138092612.db2.gz SWHKIINBOAUOKR-WMQCIHAUSA-N 2 1 340.515 3.760 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886623728 1138103352 /nfs/dbraw/zinc/10/33/52/1138103352.db2.gz MLBMBFIABNKSPL-HGJUEJDCSA-N 2 1 328.500 3.585 20 0 EHADMP CC1(C)C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886623290 1138103417 /nfs/dbraw/zinc/10/34/17/1138103417.db2.gz AEQRRNXPBMUYKK-TUFLPTIASA-N 2 1 342.527 3.834 20 0 EHADMP C[N@@H+](CCCCCn1cccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109649 1138130058 /nfs/dbraw/zinc/13/00/58/1138130058.db2.gz RBKOEIONDSKASQ-OAQYLSRUSA-N 2 1 340.515 3.507 20 0 EHADMP C[NH+](CCCCCn1cccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109649 1138130059 /nfs/dbraw/zinc/13/00/59/1138130059.db2.gz RBKOEIONDSKASQ-OAQYLSRUSA-N 2 1 340.515 3.507 20 0 EHADMP C[NH+](CCCCCn1cccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109649 1138130061 /nfs/dbraw/zinc/13/00/61/1138130061.db2.gz RBKOEIONDSKASQ-OAQYLSRUSA-N 2 1 340.515 3.507 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876100 1138163160 /nfs/dbraw/zinc/16/31/60/1138163160.db2.gz IAWZYGSWDYIBTB-FQEVSTJZSA-N 2 1 325.456 3.616 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1NC(C)=O ZINC000089513021 1138200443 /nfs/dbraw/zinc/20/04/43/1138200443.db2.gz XUPLWJNBCXVGMI-AWEZNQCLSA-N 2 1 347.503 3.567 20 0 EHADMP C[NH+](Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1)[C@@H]1CCSC1 ZINC000089939298 1138207876 /nfs/dbraw/zinc/20/78/76/1138207876.db2.gz VKSROKBQCVBRRL-QZTJIDSGSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccccc2n1C ZINC000091286496 1138218234 /nfs/dbraw/zinc/21/82/34/1138218234.db2.gz SVTSTCZOIRSWSE-IRXDYDNUSA-N 2 1 328.504 3.736 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000092587715 1138229684 /nfs/dbraw/zinc/22/96/84/1138229684.db2.gz CUEPARWYCCXNAG-FQEVSTJZSA-N 2 1 343.515 3.589 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000092587715 1138229685 /nfs/dbraw/zinc/22/96/85/1138229685.db2.gz CUEPARWYCCXNAG-FQEVSTJZSA-N 2 1 343.515 3.589 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000093644692 1138239481 /nfs/dbraw/zinc/23/94/81/1138239481.db2.gz DMCUUERDBKFDRG-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644692 1138239482 /nfs/dbraw/zinc/23/94/82/1138239482.db2.gz DMCUUERDBKFDRG-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644692 1138239483 /nfs/dbraw/zinc/23/94/83/1138239483.db2.gz DMCUUERDBKFDRG-PXNSSMCTSA-N 2 1 339.483 3.575 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984650 1138295720 /nfs/dbraw/zinc/29/57/20/1138295720.db2.gz SZFOGORKXMGIRF-MSOLQXFVSA-N 2 1 326.525 3.587 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)C2CC3CC(C2)CC1C3 ZINC000333790411 1138332276 /nfs/dbraw/zinc/33/22/76/1138332276.db2.gz GDZBJIRYGMGANX-CKPBLNSZSA-N 2 1 326.484 3.513 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000129863547 1138425236 /nfs/dbraw/zinc/42/52/36/1138425236.db2.gz IPJWSRPUIGDGEB-YLJYHZDGSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000337246429 1138507484 /nfs/dbraw/zinc/50/74/84/1138507484.db2.gz JPBKKLGALGJYLL-MCIONIFRSA-N 2 1 337.895 3.601 20 0 EHADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ccc1Cl ZINC000337252813 1138509130 /nfs/dbraw/zinc/50/91/30/1138509130.db2.gz ORVMGOLLRKISKJ-SFHVURJKSA-N 2 1 349.906 3.747 20 0 EHADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1Cl ZINC000337252813 1138509132 /nfs/dbraw/zinc/50/91/32/1138509132.db2.gz ORVMGOLLRKISKJ-SFHVURJKSA-N 2 1 349.906 3.747 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000133152347 1138623432 /nfs/dbraw/zinc/62/34/32/1138623432.db2.gz DNOPYPLWLWBROI-CVEARBPZSA-N 2 1 328.456 3.584 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2nccn21 ZINC000337825100 1138676915 /nfs/dbraw/zinc/67/69/15/1138676915.db2.gz SLGDYKMNMYMPRC-FQEVSTJZSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2nccn21 ZINC000337825100 1138676917 /nfs/dbraw/zinc/67/69/17/1138676917.db2.gz SLGDYKMNMYMPRC-FQEVSTJZSA-N 2 1 348.494 3.725 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000337945649 1138704027 /nfs/dbraw/zinc/70/40/27/1138704027.db2.gz RTSQHYHJVPFFQZ-UHFFFAOYSA-N 2 1 342.668 3.787 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@H]1C ZINC000338308712 1138827314 /nfs/dbraw/zinc/82/73/14/1138827314.db2.gz RYWKAOJOPKSLEC-WBVHZDCISA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@H]1C ZINC000338308712 1138827319 /nfs/dbraw/zinc/82/73/19/1138827319.db2.gz RYWKAOJOPKSLEC-WBVHZDCISA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@H]1C ZINC000338308712 1138827323 /nfs/dbraw/zinc/82/73/23/1138827323.db2.gz RYWKAOJOPKSLEC-WBVHZDCISA-N 2 1 327.472 3.553 20 0 EHADMP Clc1ccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000265475824 1138915679 /nfs/dbraw/zinc/91/56/79/1138915679.db2.gz FJKPXFQKXCHQKV-AWEZNQCLSA-N 2 1 345.874 3.801 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388501 1139087979 /nfs/dbraw/zinc/08/79/79/1139087979.db2.gz DUDLHODVNHBMSK-QWHCGFSZSA-N 2 1 328.378 3.720 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388501 1139087989 /nfs/dbraw/zinc/08/79/89/1139087989.db2.gz DUDLHODVNHBMSK-QWHCGFSZSA-N 2 1 328.378 3.720 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1)C1CC1 ZINC000429572177 1139366167 /nfs/dbraw/zinc/36/61/67/1139366167.db2.gz TZZWIGKDWOQVAJ-OAHLLOKOSA-N 2 1 337.467 3.943 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)c(F)c2)CC[N@H+]1C ZINC000177814065 1139643585 /nfs/dbraw/zinc/64/35/85/1139643585.db2.gz RILGYTPVJFGTKP-YPMHNXCESA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814065 1139643587 /nfs/dbraw/zinc/64/35/87/1139643587.db2.gz RILGYTPVJFGTKP-YPMHNXCESA-N 2 1 329.257 3.503 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)CCN1C ZINC000177814065 1139643588 /nfs/dbraw/zinc/64/35/88/1139643588.db2.gz RILGYTPVJFGTKP-YPMHNXCESA-N 2 1 329.257 3.503 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116464 1139671876 /nfs/dbraw/zinc/67/18/76/1139671876.db2.gz VIRVZZMITLEQJK-YADHBBJMSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116464 1139671879 /nfs/dbraw/zinc/67/18/79/1139671879.db2.gz VIRVZZMITLEQJK-YADHBBJMSA-N 2 1 335.495 3.611 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116464 1139671884 /nfs/dbraw/zinc/67/18/84/1139671884.db2.gz VIRVZZMITLEQJK-YADHBBJMSA-N 2 1 335.495 3.611 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)nc(C)[nH+]1 ZINC000178615553 1139707058 /nfs/dbraw/zinc/70/70/58/1139707058.db2.gz WOWGFQAYAXRRGH-UGSOOPFHSA-N 2 1 340.471 3.568 20 0 EHADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000178620184 1139708191 /nfs/dbraw/zinc/70/81/91/1139708191.db2.gz GFMVWYRJQYZISW-DNVCBOLYSA-N 2 1 343.540 3.975 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)c(F)c3)CC2)nc(C)[nH+]1 ZINC000178694715 1139712159 /nfs/dbraw/zinc/71/21/59/1139712159.db2.gz SXFMWKLTKFBDII-ZDUSSCGKSA-N 2 1 346.425 3.691 20 0 EHADMP CCC[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075093 1139807785 /nfs/dbraw/zinc/80/77/85/1139807785.db2.gz LGFLCZGWZVDQPD-FGZHOGPDSA-N 2 1 343.559 3.672 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[NH+](CC[C@@H]4CCC[N@@H+]4C)C3)nc2c1 ZINC000181163682 1139890102 /nfs/dbraw/zinc/89/01/02/1139890102.db2.gz DXQYJXMXIGFWHT-SJORKVTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@@H]4CCC[NH+]4C)C3)nc2c1 ZINC000181163682 1139890112 /nfs/dbraw/zinc/89/01/12/1139890112.db2.gz DXQYJXMXIGFWHT-SJORKVTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC[C@@H]4CCC[NH+]4C)C3)nc2c1 ZINC000181163682 1139890118 /nfs/dbraw/zinc/89/01/18/1139890118.db2.gz DXQYJXMXIGFWHT-SJORKVTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@@H]4CCC[N@H+]4C)C3)[nH]c2c1 ZINC000181163682 1139890126 /nfs/dbraw/zinc/89/01/26/1139890126.db2.gz DXQYJXMXIGFWHT-SJORKVTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[NH+](CC[C@@H]4CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000181163682 1139890135 /nfs/dbraw/zinc/89/01/35/1139890135.db2.gz DXQYJXMXIGFWHT-SJORKVTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000181163682 1139890142 /nfs/dbraw/zinc/89/01/42/1139890142.db2.gz DXQYJXMXIGFWHT-SJORKVTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@@H]4CCC[NH+]4C)C3)[nH]c2c1 ZINC000181163682 1139890149 /nfs/dbraw/zinc/89/01/49/1139890149.db2.gz DXQYJXMXIGFWHT-SJORKVTESA-N 2 1 326.488 3.535 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000182225396 1139958979 /nfs/dbraw/zinc/95/89/79/1139958979.db2.gz YPAVYKTUTZSCOD-VQIMIIECSA-N 2 1 344.524 3.864 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C)cc1 ZINC000182270601 1139962266 /nfs/dbraw/zinc/96/22/66/1139962266.db2.gz MATIZXAERIEDPM-FCHUYYIVSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000183193398 1140020019 /nfs/dbraw/zinc/02/00/19/1140020019.db2.gz FZTUNDCNAYGTAG-GVDBMIGSSA-N 2 1 340.515 3.877 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000183193398 1140020026 /nfs/dbraw/zinc/02/00/26/1140020026.db2.gz FZTUNDCNAYGTAG-GVDBMIGSSA-N 2 1 340.515 3.877 20 0 EHADMP CC(C)OC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000186558291 1140209971 /nfs/dbraw/zinc/20/99/71/1140209971.db2.gz LGUJCMXWWWTEIY-BWQRXAFVSA-N 2 1 328.500 3.728 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064727 1140236057 /nfs/dbraw/zinc/23/60/57/1140236057.db2.gz KUUFGIDUPPXVFT-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064727 1140236060 /nfs/dbraw/zinc/23/60/60/1140236060.db2.gz KUUFGIDUPPXVFT-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064727 1140236064 /nfs/dbraw/zinc/23/60/64/1140236064.db2.gz KUUFGIDUPPXVFT-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000187064727 1140236066 /nfs/dbraw/zinc/23/60/66/1140236066.db2.gz KUUFGIDUPPXVFT-QGZVFWFLSA-N 2 1 339.483 3.531 20 0 EHADMP Cc1ncsc1CC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189955550 1140374838 /nfs/dbraw/zinc/37/48/38/1140374838.db2.gz GAWWJFFNENUZQZ-NYTJIUQPSA-N 2 1 343.540 3.740 20 0 EHADMP C[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268866561 1141012593 /nfs/dbraw/zinc/01/25/93/1141012593.db2.gz NVKLJADDDKOWMR-AVRDEDQJSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000268866301 1141012750 /nfs/dbraw/zinc/01/27/50/1141012750.db2.gz SUOKWYDJQGFAJW-INIZCTEOSA-N 2 1 349.519 3.816 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)cc1 ZINC000268894491 1141020882 /nfs/dbraw/zinc/02/08/82/1141020882.db2.gz JXEWZCWTSFICSI-HRAATJIYSA-N 2 1 335.451 3.873 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000268921479 1141025847 /nfs/dbraw/zinc/02/58/47/1141025847.db2.gz WOJOQZFTWBVRGW-NRFANRHFSA-N 2 1 342.527 3.551 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269008103 1141045640 /nfs/dbraw/zinc/04/56/40/1141045640.db2.gz WOYSMLSRTLCQCK-UYAOXDASSA-N 2 1 332.532 3.675 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000269027983 1141050097 /nfs/dbraw/zinc/05/00/97/1141050097.db2.gz SLLCMROXLNNVLW-QFBILLFUSA-N 2 1 343.902 3.920 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000269027983 1141050104 /nfs/dbraw/zinc/05/01/04/1141050104.db2.gz SLLCMROXLNNVLW-QFBILLFUSA-N 2 1 343.902 3.920 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCNc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000269101614 1141065144 /nfs/dbraw/zinc/06/51/44/1141065144.db2.gz UGCQVDYUYQMKPE-UYAOXDASSA-N 3 1 338.499 3.526 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCNc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000269101614 1141065151 /nfs/dbraw/zinc/06/51/51/1141065151.db2.gz UGCQVDYUYQMKPE-UYAOXDASSA-N 2 1 338.499 3.526 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309514 1141204973 /nfs/dbraw/zinc/20/49/73/1141204973.db2.gz GUPXLKMNXCSFRO-KRWDZBQOSA-N 2 1 345.314 3.831 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309514 1141204978 /nfs/dbraw/zinc/20/49/78/1141204978.db2.gz GUPXLKMNXCSFRO-KRWDZBQOSA-N 2 1 345.314 3.831 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270339303 1141208752 /nfs/dbraw/zinc/20/87/52/1141208752.db2.gz OBYLDEDKMIOQPW-SUMWQHHRSA-N 2 1 345.314 3.691 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000270551058 1141238116 /nfs/dbraw/zinc/23/81/16/1141238116.db2.gz ZVUBYNRVFKBRNM-KGVIQGDOSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000270551058 1141238120 /nfs/dbraw/zinc/23/81/20/1141238120.db2.gz ZVUBYNRVFKBRNM-KGVIQGDOSA-N 2 1 338.495 3.740 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1SC ZINC000270554899 1141239418 /nfs/dbraw/zinc/23/94/18/1141239418.db2.gz ZOLQZNDCRWULIB-QGZVFWFLSA-N 2 1 334.529 3.581 20 0 EHADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC(C)C ZINC000271054044 1141301819 /nfs/dbraw/zinc/30/18/19/1141301819.db2.gz YBKNVMNMWOGEGR-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC(C)C ZINC000271054044 1141301825 /nfs/dbraw/zinc/30/18/25/1141301825.db2.gz YBKNVMNMWOGEGR-UHFFFAOYSA-N 2 1 334.504 3.787 20 0 EHADMP CCC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000339162751 1141514676 /nfs/dbraw/zinc/51/46/76/1141514676.db2.gz AOXARLJMSATNMB-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348818841 1141586690 /nfs/dbraw/zinc/58/66/90/1141586690.db2.gz IHPSXBQVCZYGMQ-WOJBJXKFSA-N 2 1 345.462 3.963 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348818841 1141586694 /nfs/dbraw/zinc/58/66/94/1141586694.db2.gz IHPSXBQVCZYGMQ-WOJBJXKFSA-N 2 1 345.462 3.963 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000052209971 214122658 /nfs/dbraw/zinc/12/26/58/214122658.db2.gz MHVOLPUDEFQPPL-UHFFFAOYSA-N 2 1 349.494 3.598 20 0 EHADMP CC[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000038098085 521578316 /nfs/dbraw/zinc/57/83/16/521578316.db2.gz GFGUWVYXJXMMLQ-UHFFFAOYSA-N 2 1 337.305 3.769 20 0 EHADMP Fc1ccc(Cl)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904472325 1032068167 /nfs/dbraw/zinc/06/81/67/1032068167.db2.gz FHLOWHDLBFAQHO-HKUYNNGSSA-N 2 1 346.833 3.825 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000537973582 1032074995 /nfs/dbraw/zinc/07/49/95/1032074995.db2.gz QYNZLEOKYQFTAH-NQIIRXRSSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000537973582 1032075004 /nfs/dbraw/zinc/07/50/04/1032075004.db2.gz QYNZLEOKYQFTAH-NQIIRXRSSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434904 1014433521 /nfs/dbraw/zinc/43/35/21/1014433521.db2.gz QDYIHFJILDHORK-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434904 1014433529 /nfs/dbraw/zinc/43/35/29/1014433529.db2.gz QDYIHFJILDHORK-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434904 1014433538 /nfs/dbraw/zinc/43/35/38/1014433538.db2.gz QDYIHFJILDHORK-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434904 1014433547 /nfs/dbraw/zinc/43/35/47/1014433547.db2.gz QDYIHFJILDHORK-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530460203 1014588334 /nfs/dbraw/zinc/58/83/34/1014588334.db2.gz VDVVDGVTJOZDRN-GFCCVEGCSA-N 2 1 344.459 3.884 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025179 1032097875 /nfs/dbraw/zinc/09/78/75/1032097875.db2.gz AONQHXLMQHNMMU-FUHWJXTLSA-N 2 1 332.488 3.543 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025179 1032097891 /nfs/dbraw/zinc/09/78/91/1032097891.db2.gz AONQHXLMQHNMMU-FUHWJXTLSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025179 1032097902 /nfs/dbraw/zinc/09/79/02/1032097902.db2.gz AONQHXLMQHNMMU-FUHWJXTLSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025179 1032097916 /nfs/dbraw/zinc/09/79/16/1032097916.db2.gz AONQHXLMQHNMMU-FUHWJXTLSA-N 2 1 332.488 3.543 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449059285 1032101339 /nfs/dbraw/zinc/10/13/39/1032101339.db2.gz AYFZWDSRXRJEHN-UHFFFAOYSA-N 2 1 331.529 3.606 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000449064991 1032109915 /nfs/dbraw/zinc/10/99/15/1032109915.db2.gz RKKXHNGAUFDENU-UHFFFAOYSA-N 2 1 345.531 3.554 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579831596 1015119144 /nfs/dbraw/zinc/11/91/44/1015119144.db2.gz BKFSROYSMRZOQX-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579831596 1015119149 /nfs/dbraw/zinc/11/91/49/1015119149.db2.gz BKFSROYSMRZOQX-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579831596 1015119153 /nfs/dbraw/zinc/11/91/53/1015119153.db2.gz BKFSROYSMRZOQX-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579831596 1015119155 /nfs/dbraw/zinc/11/91/55/1015119155.db2.gz BKFSROYSMRZOQX-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579831596 1015119160 /nfs/dbraw/zinc/11/91/60/1015119160.db2.gz BKFSROYSMRZOQX-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000154518261 1015518086 /nfs/dbraw/zinc/51/80/86/1015518086.db2.gz SKICQLJANZOHHP-RXVVDRJESA-N 2 1 329.532 3.632 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000471227156 1015823935 /nfs/dbraw/zinc/82/39/35/1015823935.db2.gz MWROQRNEGZFKAR-ZBFHGGJFSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000471227156 1015823938 /nfs/dbraw/zinc/82/39/38/1015823938.db2.gz MWROQRNEGZFKAR-ZBFHGGJFSA-N 2 1 344.421 3.746 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000471227156 1015823947 /nfs/dbraw/zinc/82/39/47/1015823947.db2.gz MWROQRNEGZFKAR-ZBFHGGJFSA-N 2 1 344.421 3.746 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811923 1015983319 /nfs/dbraw/zinc/98/33/19/1015983319.db2.gz WVRTWFIPPZHZCK-UONOGXRCSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811923 1015983325 /nfs/dbraw/zinc/98/33/25/1015983325.db2.gz WVRTWFIPPZHZCK-UONOGXRCSA-N 2 1 325.294 3.625 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459438186 1032143687 /nfs/dbraw/zinc/14/36/87/1032143687.db2.gz SYCFRKANHYGKIX-CQSZACIVSA-N 2 1 333.439 3.699 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751258 1016272113 /nfs/dbraw/zinc/27/21/13/1016272113.db2.gz VIILHALRLRPYLM-VQIMIIECSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@@]12C[NH+](Cc3cccc(N)c3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000705886215 1016537606 /nfs/dbraw/zinc/53/76/06/1016537606.db2.gz HYYUYELEFOEYQB-SZPZYZBQSA-N 2 1 335.495 3.613 20 0 EHADMP C[C@@]12C[NH+](Cc3cccc(N)c3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000705886215 1016537615 /nfs/dbraw/zinc/53/76/15/1016537615.db2.gz HYYUYELEFOEYQB-SZPZYZBQSA-N 2 1 335.495 3.613 20 0 EHADMP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](Cc1cccc(N)c1)C2 ZINC000705886215 1016537623 /nfs/dbraw/zinc/53/76/23/1016537623.db2.gz HYYUYELEFOEYQB-SZPZYZBQSA-N 2 1 335.495 3.613 20 0 EHADMP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](Cc1cccc(N)c1)C2 ZINC000705886215 1016537636 /nfs/dbraw/zinc/53/76/36/1016537636.db2.gz HYYUYELEFOEYQB-SZPZYZBQSA-N 2 1 335.495 3.613 20 0 EHADMP Cc1noc(C)c1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000166145532 1016587191 /nfs/dbraw/zinc/58/71/91/1016587191.db2.gz QBLQFPNELCRMDR-UHFFFAOYSA-N 2 1 341.499 3.521 20 0 EHADMP CC[C@H](CSC)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000589206309 1016639744 /nfs/dbraw/zinc/63/97/44/1016639744.db2.gz FAWWKSKPPBELMZ-GOSISDBHSA-N 2 1 336.545 3.735 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000236811718 1016753540 /nfs/dbraw/zinc/75/35/40/1016753540.db2.gz DGCDTKHVFRRVJL-LJQANCHMSA-N 2 1 337.467 3.831 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000236811718 1016753554 /nfs/dbraw/zinc/75/35/54/1016753554.db2.gz DGCDTKHVFRRVJL-LJQANCHMSA-N 2 1 337.467 3.831 20 0 EHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000584360071 1032182328 /nfs/dbraw/zinc/18/23/28/1032182328.db2.gz WISYNCNLZZFULC-GOSISDBHSA-N 2 1 345.874 3.643 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449107003 1032185418 /nfs/dbraw/zinc/18/54/18/1032185418.db2.gz KRBOMXMGJZJJDY-LLVKDONJSA-N 2 1 328.243 3.555 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000449088582 1032193649 /nfs/dbraw/zinc/19/36/49/1032193649.db2.gz ICDNFAKRTIHMHZ-ZIAGYGMSSA-N 2 1 331.460 3.666 20 0 EHADMP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000449088582 1032193659 /nfs/dbraw/zinc/19/36/59/1032193659.db2.gz ICDNFAKRTIHMHZ-ZIAGYGMSSA-N 2 1 331.460 3.666 20 0 EHADMP C[N@@H+]1C[C@H]2CN(C/C=C/c3ccc(OCc4ccccc4)cc3)C[C@H]2C1 ZINC000459500222 1032200508 /nfs/dbraw/zinc/20/05/08/1032200508.db2.gz AGUKUUXJJCYFQT-AQNPFWOKSA-N 2 1 348.490 3.772 20 0 EHADMP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500222 1032200525 /nfs/dbraw/zinc/20/05/25/1032200525.db2.gz AGUKUUXJJCYFQT-AQNPFWOKSA-N 2 1 348.490 3.772 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500222 1032200541 /nfs/dbraw/zinc/20/05/41/1032200541.db2.gz AGUKUUXJJCYFQT-AQNPFWOKSA-N 2 1 348.490 3.772 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500222 1032200555 /nfs/dbraw/zinc/20/05/55/1032200555.db2.gz AGUKUUXJJCYFQT-AQNPFWOKSA-N 2 1 348.490 3.772 20 0 EHADMP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 ZINC000459500222 1032200570 /nfs/dbraw/zinc/20/05/70/1032200570.db2.gz AGUKUUXJJCYFQT-AQNPFWOKSA-N 2 1 348.490 3.772 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449094742 1032205963 /nfs/dbraw/zinc/20/59/63/1032205963.db2.gz TXRWSTJVCXNMGX-SFHVURJKSA-N 2 1 343.540 3.750 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449094742 1032205980 /nfs/dbraw/zinc/20/59/80/1032205980.db2.gz TXRWSTJVCXNMGX-SFHVURJKSA-N 2 1 343.540 3.750 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379648667 1032223118 /nfs/dbraw/zinc/22/31/18/1032223118.db2.gz MSAPFQNOKREKLV-QUCCMNQESA-N 2 1 330.516 3.714 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379648667 1032223127 /nfs/dbraw/zinc/22/31/27/1032223127.db2.gz MSAPFQNOKREKLV-QUCCMNQESA-N 2 1 330.516 3.714 20 0 EHADMP Clc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000299940144 1032223899 /nfs/dbraw/zinc/22/38/99/1032223899.db2.gz XYYBXXMAHIYJMB-ZJUUUORDSA-N 2 1 349.725 3.880 20 0 EHADMP Clc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000299940144 1032223915 /nfs/dbraw/zinc/22/39/15/1032223915.db2.gz XYYBXXMAHIYJMB-ZJUUUORDSA-N 2 1 349.725 3.880 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000449153007 1032255816 /nfs/dbraw/zinc/25/58/16/1032255816.db2.gz IDIUIHTUPOZZOJ-FUHWJXTLSA-N 2 1 336.907 3.677 20 0 EHADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340376512 1017073105 /nfs/dbraw/zinc/07/31/05/1017073105.db2.gz ZZOMEGWCDNZMGV-ACBHZAAOSA-N 2 1 330.472 3.531 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175138 1032269156 /nfs/dbraw/zinc/26/91/56/1032269156.db2.gz QJMVUOXFDOJVMF-OCCSQVGLSA-N 2 1 348.288 3.570 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@H]3CCC[NH2+]CC3)c(C(C)(C)C)n2)cc1 ZINC000666856435 1032278384 /nfs/dbraw/zinc/27/83/84/1032278384.db2.gz IFHYOSBGPGEXKX-SFHVURJKSA-N 2 1 340.515 3.710 20 0 EHADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536862882 1032362894 /nfs/dbraw/zinc/36/28/94/1032362894.db2.gz KZZUXDCFDRLVCJ-DICRZQGBSA-N 2 1 334.479 3.538 20 0 EHADMP CC[N@H+](CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1)CC(C)C ZINC000536895813 1032405452 /nfs/dbraw/zinc/40/54/52/1032405452.db2.gz FTRZOHPRYHISRW-UHFFFAOYSA-N 2 1 329.492 3.542 20 0 EHADMP CC[N@@H+](CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1)CC(C)C ZINC000536895813 1032405461 /nfs/dbraw/zinc/40/54/61/1032405461.db2.gz FTRZOHPRYHISRW-UHFFFAOYSA-N 2 1 329.492 3.542 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000459796042 1032478326 /nfs/dbraw/zinc/47/83/26/1032478326.db2.gz VZBGIDMAUNVLAH-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)ccc1OCC(C)C ZINC000537068644 1032507061 /nfs/dbraw/zinc/50/70/61/1032507061.db2.gz LAHUSWSRIIANHM-WMZOPIPTSA-N 2 1 334.504 3.865 20 0 EHADMP Cc1ccc(C2(C[NH2+]Cc3ncc(C[NH+](C)C)s3)CC2)c(C)c1 ZINC000449381155 1032507547 /nfs/dbraw/zinc/50/75/47/1032507547.db2.gz XZLWTAWQRCGPRS-UHFFFAOYSA-N 2 1 329.513 3.643 20 0 EHADMP C[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749264 1032546561 /nfs/dbraw/zinc/54/65/61/1032546561.db2.gz CNIGUVCJRHAGDB-DFNIBXOVSA-N 2 1 344.499 3.699 20 0 EHADMP C[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749264 1032546564 /nfs/dbraw/zinc/54/65/64/1032546564.db2.gz CNIGUVCJRHAGDB-DFNIBXOVSA-N 2 1 344.499 3.699 20 0 EHADMP C[NH+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375749264 1032546568 /nfs/dbraw/zinc/54/65/68/1032546568.db2.gz CNIGUVCJRHAGDB-DFNIBXOVSA-N 2 1 344.499 3.699 20 0 EHADMP C[NH+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375749264 1032546570 /nfs/dbraw/zinc/54/65/70/1032546570.db2.gz CNIGUVCJRHAGDB-DFNIBXOVSA-N 2 1 344.499 3.699 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(Br)cc2)[C@@H](C)C1 ZINC000449461875 1032610268 /nfs/dbraw/zinc/61/02/68/1032610268.db2.gz UCLFLSGULDTBLS-YXVLKGNQSA-N 2 1 337.305 3.782 20 0 EHADMP COc1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000449462128 1032610547 /nfs/dbraw/zinc/61/05/47/1032610547.db2.gz SRWQANMAEUAWDO-UHFFFAOYSA-N 2 1 337.895 3.630 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449486335 1032642890 /nfs/dbraw/zinc/64/28/90/1032642890.db2.gz UCHDWZDPOMKTTG-QZNHQXDQSA-N 2 1 349.522 3.823 20 0 EHADMP CCN(CCC[NH+](CC)CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001167285927 1017219897 /nfs/dbraw/zinc/21/98/97/1017219897.db2.gz CDSOXFVHQPESMO-FPOVZHCZSA-N 2 1 331.548 3.876 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698045 1017415254 /nfs/dbraw/zinc/41/52/54/1017415254.db2.gz VBWFBOGFHGBRFP-HKUYNNGSSA-N 2 1 346.515 3.835 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698045 1017415257 /nfs/dbraw/zinc/41/52/57/1017415257.db2.gz VBWFBOGFHGBRFP-HKUYNNGSSA-N 2 1 346.515 3.835 20 0 EHADMP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000378910084 1017415837 /nfs/dbraw/zinc/41/58/37/1017415837.db2.gz IAGMUNBLJSYCTB-QGZVFWFLSA-N 2 1 328.525 3.976 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711142 1017430332 /nfs/dbraw/zinc/43/03/32/1017430332.db2.gz HFFPQILRROBPMQ-SJORKVTESA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655711142 1017430339 /nfs/dbraw/zinc/43/03/39/1017430339.db2.gz HFFPQILRROBPMQ-SJORKVTESA-N 2 1 344.890 3.551 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655711142 1017430345 /nfs/dbraw/zinc/43/03/45/1017430345.db2.gz HFFPQILRROBPMQ-SJORKVTESA-N 2 1 344.890 3.551 20 0 EHADMP C[C@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655737180 1017494565 /nfs/dbraw/zinc/49/45/65/1017494565.db2.gz WRKBRGNBYIBSIR-IFMALSPDSA-N 2 1 342.527 3.514 20 0 EHADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655737183 1017495886 /nfs/dbraw/zinc/49/58/86/1017495886.db2.gz WRKBRGNBYIBSIR-UNMCSNQZSA-N 2 1 342.527 3.514 20 0 EHADMP c1cn(Cc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)cn1 ZINC000415080417 1017521155 /nfs/dbraw/zinc/52/11/55/1017521155.db2.gz JFZSVNCPMNUNCX-VXKWHMMOSA-N 2 1 346.478 3.514 20 0 EHADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415082682 1017525790 /nfs/dbraw/zinc/52/57/90/1017525790.db2.gz DQJYKQDUPMYAPG-HKUYNNGSSA-N 2 1 328.431 3.807 20 0 EHADMP c1cc(SCC[NH+]2CCCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651960374 1017549084 /nfs/dbraw/zinc/54/90/84/1017549084.db2.gz CUAHXQYHMHGXTP-MOPGFXCFSA-N 2 1 345.556 3.913 20 0 EHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655758140 1017551781 /nfs/dbraw/zinc/55/17/81/1017551781.db2.gz RJTZJJAQSBRLOO-RBBKRZOGSA-N 2 1 344.543 3.734 20 0 EHADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000655774436 1017567273 /nfs/dbraw/zinc/56/72/73/1017567273.db2.gz BPILESJRURZBIX-ACRUOGEOSA-N 2 1 342.527 3.659 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 ZINC000655787490 1017595361 /nfs/dbraw/zinc/59/53/61/1017595361.db2.gz WWPRRMZIFVPGKO-YADHBBJMSA-N 2 1 342.527 3.631 20 0 EHADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655848996 1017776619 /nfs/dbraw/zinc/77/66/19/1017776619.db2.gz NSNDLSFRQPKYKA-BDKRGJGYSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848996 1017776631 /nfs/dbraw/zinc/77/66/31/1017776631.db2.gz NSNDLSFRQPKYKA-BDKRGJGYSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848996 1017776642 /nfs/dbraw/zinc/77/66/42/1017776642.db2.gz NSNDLSFRQPKYKA-BDKRGJGYSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655848996 1017776655 /nfs/dbraw/zinc/77/66/55/1017776655.db2.gz NSNDLSFRQPKYKA-BDKRGJGYSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655848996 1017776667 /nfs/dbraw/zinc/77/66/67/1017776667.db2.gz NSNDLSFRQPKYKA-BDKRGJGYSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279426587 1018035948 /nfs/dbraw/zinc/03/59/48/1018035948.db2.gz ABNIUYWZCPOVTP-OKILXGFUSA-N 2 1 330.369 3.618 20 0 EHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279426587 1018035959 /nfs/dbraw/zinc/03/59/59/1018035959.db2.gz ABNIUYWZCPOVTP-OKILXGFUSA-N 2 1 330.369 3.618 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000893018285 1018175497 /nfs/dbraw/zinc/17/54/97/1018175497.db2.gz DWUVHXIFQWMKSE-KDOFPFPSSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893018285 1018175503 /nfs/dbraw/zinc/17/55/03/1018175503.db2.gz DWUVHXIFQWMKSE-KDOFPFPSSA-N 2 1 333.476 3.763 20 0 EHADMP CCCN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001167331851 1018201999 /nfs/dbraw/zinc/20/19/99/1018201999.db2.gz BIAIOASEZLTZPV-VXKWHMMOSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167331851 1018202010 /nfs/dbraw/zinc/20/20/10/1018202010.db2.gz BIAIOASEZLTZPV-VXKWHMMOSA-N 2 1 343.559 3.847 20 0 EHADMP CCCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001167331851 1018202017 /nfs/dbraw/zinc/20/20/17/1018202017.db2.gz BIAIOASEZLTZPV-VXKWHMMOSA-N 2 1 343.559 3.847 20 0 EHADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066971 1032759843 /nfs/dbraw/zinc/75/98/43/1032759843.db2.gz NPBSWQWMVVVYSR-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066971 1032759852 /nfs/dbraw/zinc/75/98/52/1032759852.db2.gz NPBSWQWMVVVYSR-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000092066971 1032759862 /nfs/dbraw/zinc/75/98/62/1032759862.db2.gz NPBSWQWMVVVYSR-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000092066971 1032759869 /nfs/dbraw/zinc/75/98/69/1032759869.db2.gz NPBSWQWMVVVYSR-IEBWSBKVSA-N 2 1 344.499 3.543 20 0 EHADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000377886764 1018517697 /nfs/dbraw/zinc/51/76/97/1018517697.db2.gz AVQALIJLUQCUIS-GFCCVEGCSA-N 2 1 330.482 3.595 20 0 EHADMP Cn1ccnc1[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000377886764 1018517707 /nfs/dbraw/zinc/51/77/07/1018517707.db2.gz AVQALIJLUQCUIS-GFCCVEGCSA-N 2 1 330.482 3.595 20 0 EHADMP COC1([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193747 1018765985 /nfs/dbraw/zinc/76/59/85/1018765985.db2.gz SCBPSQPVGNHWNV-IEBWSBKVSA-N 2 1 328.500 3.731 20 0 EHADMP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000580193747 1018765998 /nfs/dbraw/zinc/76/59/98/1018765998.db2.gz SCBPSQPVGNHWNV-IEBWSBKVSA-N 2 1 328.500 3.731 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867263 1018821190 /nfs/dbraw/zinc/82/11/90/1018821190.db2.gz VVDRQAORBWECAE-NWDGAFQWSA-N 2 1 349.828 3.616 20 0 EHADMP Cc1nc(C)c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000683897576 1019143631 /nfs/dbraw/zinc/14/36/31/1019143631.db2.gz CQSCYINXOAKBII-DNVCBOLYSA-N 2 1 327.472 3.776 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933179 1019164151 /nfs/dbraw/zinc/16/41/51/1019164151.db2.gz BOBWWEIZNNBGMY-VSZNYVQBSA-N 2 1 346.540 3.602 20 0 EHADMP Cc1noc2ncc(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)cc12 ZINC000894207761 1019208372 /nfs/dbraw/zinc/20/83/72/1019208372.db2.gz XQUXIKGHVFHSCV-UHFFFAOYSA-N 2 1 338.455 3.661 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092739564 1032819325 /nfs/dbraw/zinc/81/93/25/1032819325.db2.gz VYVNUHTZPQYSMY-INIZCTEOSA-N 2 1 345.462 3.792 20 0 EHADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000710030753 1019727648 /nfs/dbraw/zinc/72/76/48/1019727648.db2.gz OAHLWJQYULNWCQ-JOCHJYFZSA-N 2 1 336.479 3.841 20 0 EHADMP c1ccc(COc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000710030753 1019727666 /nfs/dbraw/zinc/72/76/66/1019727666.db2.gz OAHLWJQYULNWCQ-JOCHJYFZSA-N 2 1 336.479 3.841 20 0 EHADMP Cc1ncsc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513488164 1019744912 /nfs/dbraw/zinc/74/49/12/1019744912.db2.gz QBPZWZPGKFTUSZ-QAPCUYQASA-N 2 1 329.513 3.842 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000580774089 1020003048 /nfs/dbraw/zinc/00/30/48/1020003048.db2.gz OBJUVNFERWKGFK-MRXNPFEDSA-N 2 1 328.422 3.960 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(Br)c1 ZINC000130148921 1020444416 /nfs/dbraw/zinc/44/44/16/1020444416.db2.gz GCRYCSFPMJWEAG-KWCYVHTRSA-N 2 1 341.268 3.866 20 0 EHADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131562 1020459363 /nfs/dbraw/zinc/45/93/63/1020459363.db2.gz UZDQHTNHPOQUBR-AABGKKOBSA-N 2 1 328.500 3.731 20 0 EHADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131562 1020459371 /nfs/dbraw/zinc/45/93/71/1020459371.db2.gz UZDQHTNHPOQUBR-AABGKKOBSA-N 2 1 328.500 3.731 20 0 EHADMP CC(C)[C@@H](O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278773728 1032922002 /nfs/dbraw/zinc/92/20/02/1032922002.db2.gz PHOKRBDYQHPZJV-MXEMCNAFSA-N 2 1 342.527 3.569 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)c2cccc(Br)c21 ZINC000368001503 1020695519 /nfs/dbraw/zinc/69/55/19/1020695519.db2.gz PDXOHNNHZMKPKD-ZETOZRRWSA-N 2 1 346.272 3.868 20 0 EHADMP COc1cccc(C[C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000341193246 1021074029 /nfs/dbraw/zinc/07/40/29/1021074029.db2.gz RQRCPDASHPXQME-KRWDZBQOSA-N 2 1 341.499 3.651 20 0 EHADMP Fc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963696 1021176712 /nfs/dbraw/zinc/17/67/12/1021176712.db2.gz BHIKIKCOHQWJHX-IHBAFOEMSA-N 2 1 330.447 3.644 20 0 EHADMP Fc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963696 1021176717 /nfs/dbraw/zinc/17/67/17/1021176717.db2.gz BHIKIKCOHQWJHX-IHBAFOEMSA-N 2 1 330.447 3.644 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704936 1021187590 /nfs/dbraw/zinc/18/75/90/1021187590.db2.gz UWUIYZQDLQJYBJ-ZCNNSNEGSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704936 1021187595 /nfs/dbraw/zinc/18/75/95/1021187595.db2.gz UWUIYZQDLQJYBJ-ZCNNSNEGSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507402476 1021253235 /nfs/dbraw/zinc/25/32/35/1021253235.db2.gz MLYIWAMAPRMHOP-VNQPRFMTSA-N 2 1 326.406 3.853 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507462239 1021278078 /nfs/dbraw/zinc/27/80/78/1021278078.db2.gz OKPHINPYWHIZIG-KOUHRCEDSA-N 2 1 330.516 3.692 20 0 EHADMP CSc1cc(Br)ccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788082 1021348802 /nfs/dbraw/zinc/34/88/02/1021348802.db2.gz ANSBNJLPTKLEEJ-UHFFFAOYSA-N 2 1 329.307 3.532 20 0 EHADMP C[C@H](c1cnccn1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000341306568 1021405506 /nfs/dbraw/zinc/40/55/06/1021405506.db2.gz XINSMPQNPQWKIH-GOSISDBHSA-N 2 1 336.483 3.526 20 0 EHADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CCCC1 ZINC000390882488 1021503837 /nfs/dbraw/zinc/50/38/37/1021503837.db2.gz VCKBSKZPCRQTAG-LQCXBHPOSA-N 2 1 342.527 3.713 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1O ZINC000426403107 1021504637 /nfs/dbraw/zinc/50/46/37/1021504637.db2.gz VNNCFTIFKFDEMS-DLBZAZTESA-N 2 1 334.504 3.576 20 0 EHADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Br ZINC001167478564 1021506157 /nfs/dbraw/zinc/50/61/57/1021506157.db2.gz SQLWMFLISOGUPP-HNNXBMFYSA-N 2 1 325.294 3.531 20 0 EHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC001167478564 1021506168 /nfs/dbraw/zinc/50/61/68/1021506168.db2.gz SQLWMFLISOGUPP-HNNXBMFYSA-N 2 1 325.294 3.531 20 0 EHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC001167478564 1021506184 /nfs/dbraw/zinc/50/61/84/1021506184.db2.gz SQLWMFLISOGUPP-HNNXBMFYSA-N 2 1 325.294 3.531 20 0 EHADMP CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437096315 1021547721 /nfs/dbraw/zinc/54/77/21/1021547721.db2.gz SSXCXDZWSWJMIO-SLFFLAALSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564911779 1021640833 /nfs/dbraw/zinc/64/08/33/1021640833.db2.gz LIQZAYZGCQALCG-RBUKOAKNSA-N 2 1 329.532 3.756 20 0 EHADMP CSc1ccccc1C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684412047 1021668944 /nfs/dbraw/zinc/66/89/44/1021668944.db2.gz GTOOVMUWNONIHF-UHFFFAOYSA-N 2 1 344.524 3.981 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400658709 1021833860 /nfs/dbraw/zinc/83/38/60/1021833860.db2.gz VSBZJCZTGKKOOT-PMACEKPBSA-N 2 1 330.516 3.693 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400658709 1021833874 /nfs/dbraw/zinc/83/38/74/1021833874.db2.gz VSBZJCZTGKKOOT-PMACEKPBSA-N 2 1 330.516 3.693 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000517041922 1021973601 /nfs/dbraw/zinc/97/36/01/1021973601.db2.gz SHBMQHOZZWVTKQ-DNVCBOLYSA-N 2 1 325.456 3.791 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415011835 1022146576 /nfs/dbraw/zinc/14/65/76/1022146576.db2.gz ILOJTDDRVFUCBI-IAGOWNOFSA-N 2 1 334.467 3.673 20 0 EHADMP COc1cc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000262014876 1022161179 /nfs/dbraw/zinc/16/11/79/1022161179.db2.gz MOQOOYUIBMUSRY-UHFFFAOYSA-N 2 1 329.271 3.578 20 0 EHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441382788 1022184801 /nfs/dbraw/zinc/18/48/01/1022184801.db2.gz LGIBSZAVMXWUFD-TYPHKJRUSA-N 2 1 343.559 3.574 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919688 1022201920 /nfs/dbraw/zinc/20/19/20/1022201920.db2.gz GNYQCMKYBCZZBU-PXNSSMCTSA-N 2 1 343.902 3.950 20 0 EHADMP CSC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000425919144 1022216242 /nfs/dbraw/zinc/21/62/42/1022216242.db2.gz FTZLUJRZLYZOHJ-SWLSCSKDSA-N 2 1 334.451 3.897 20 0 EHADMP CSc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968348 1022247930 /nfs/dbraw/zinc/24/79/30/1022247930.db2.gz QCBUXLGLBDMYMJ-AYHJJNSGSA-N 2 1 346.540 3.782 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000126938727 1022257263 /nfs/dbraw/zinc/25/72/63/1022257263.db2.gz BAWLEOAHKHQQAX-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000126938727 1022257270 /nfs/dbraw/zinc/25/72/70/1022257270.db2.gz BAWLEOAHKHQQAX-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276688647 1022292678 /nfs/dbraw/zinc/29/26/78/1022292678.db2.gz RUPZNIUPSOPHOQ-MRXNPFEDSA-N 2 1 335.451 3.989 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976892 1022410476 /nfs/dbraw/zinc/41/04/76/1022410476.db2.gz VTIXIPOHOZOBBN-HZPDHXFCSA-N 2 1 345.512 3.923 20 0 EHADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438198848 1022453142 /nfs/dbraw/zinc/45/31/42/1022453142.db2.gz FGYLQYTXMBQWAI-NHCUHLMSSA-N 2 1 342.527 3.731 20 0 EHADMP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000471830184 1022460098 /nfs/dbraw/zinc/46/00/98/1022460098.db2.gz AVAVLFREWXMXCQ-MJGOQNOKSA-N 2 1 329.513 3.624 20 0 EHADMP Clc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647978638 1022468826 /nfs/dbraw/zinc/46/88/26/1022468826.db2.gz WGNLRIBEEBAVBH-QWHCGFSZSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647978638 1022468830 /nfs/dbraw/zinc/46/88/30/1022468830.db2.gz WGNLRIBEEBAVBH-QWHCGFSZSA-N 2 1 328.287 3.600 20 0 EHADMP Oc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562725 1022554441 /nfs/dbraw/zinc/55/44/41/1022554441.db2.gz YDKITRUJSZKQSU-KCLUMXDGSA-N 2 1 348.490 3.502 20 0 EHADMP CC1(C)C[N@H+]([C@H]2CCCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836097 1022689895 /nfs/dbraw/zinc/68/98/95/1022689895.db2.gz OCQZGUDMOJPQGB-LEWJYISDSA-N 2 1 342.527 3.788 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833604 1022749656 /nfs/dbraw/zinc/74/96/56/1022749656.db2.gz RBDRXMJNZRYMGW-MJGOQNOKSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833604 1022749668 /nfs/dbraw/zinc/74/96/68/1022749668.db2.gz RBDRXMJNZRYMGW-MJGOQNOKSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833604 1022749677 /nfs/dbraw/zinc/74/96/77/1022749677.db2.gz RBDRXMJNZRYMGW-MJGOQNOKSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000430833604 1022749691 /nfs/dbraw/zinc/74/96/91/1022749691.db2.gz RBDRXMJNZRYMGW-MJGOQNOKSA-N 2 1 346.515 3.703 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426064597 1022815102 /nfs/dbraw/zinc/81/51/02/1022815102.db2.gz VGQBDIFBNWHQSF-FQEVSTJZSA-N 2 1 341.886 3.870 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188558933 1022827557 /nfs/dbraw/zinc/82/75/57/1022827557.db2.gz USSYTQWLIGIWMN-HBUWYVDXSA-N 2 1 333.907 3.693 20 0 EHADMP Cc1noc(C2CCC([NH2+]CCC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000293542790 1022855767 /nfs/dbraw/zinc/85/57/67/1022855767.db2.gz VYTKRYFASMRJEY-UHFFFAOYSA-N 2 1 342.487 3.516 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC1CCCC1 ZINC000341655506 1022865123 /nfs/dbraw/zinc/86/51/23/1022865123.db2.gz HGXXEPCKTUOYIB-HNNXBMFYSA-N 2 1 343.471 3.872 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158194138 1022918173 /nfs/dbraw/zinc/91/81/73/1022918173.db2.gz FSZOBCRZAFADJN-HIFRSBDPSA-N 2 1 330.501 3.506 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000430951505 1022963576 /nfs/dbraw/zinc/96/35/76/1022963576.db2.gz LVHXLAYXSICBCN-UHFFFAOYSA-N 2 1 349.931 3.819 20 0 EHADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000562956461 1022989405 /nfs/dbraw/zinc/98/94/05/1022989405.db2.gz WRXZZZZOGMQKMG-HNNXBMFYSA-N 2 1 341.293 3.641 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1O ZINC000426153473 1022993246 /nfs/dbraw/zinc/99/32/46/1022993246.db2.gz NGGODIDDYWELTQ-ULQDDVLXSA-N 2 1 334.504 3.574 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000092165417 1023359587 /nfs/dbraw/zinc/35/95/87/1023359587.db2.gz SKIVFBPPQUZTNW-UHFFFAOYSA-N 2 1 326.431 3.637 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000092165417 1023359592 /nfs/dbraw/zinc/35/95/92/1023359592.db2.gz SKIVFBPPQUZTNW-UHFFFAOYSA-N 2 1 326.431 3.637 20 0 EHADMP C[C@H]1CC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC12CCC2 ZINC000341911803 1023672160 /nfs/dbraw/zinc/67/21/60/1023672160.db2.gz VEHRYNDJLRDNAE-PZJWPPBQSA-N 2 1 342.527 3.790 20 0 EHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458277472 1023846717 /nfs/dbraw/zinc/84/67/17/1023846717.db2.gz IRZSRIYJJAGRAN-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458277472 1023846725 /nfs/dbraw/zinc/84/67/25/1023846725.db2.gz IRZSRIYJJAGRAN-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020242 1024027198 /nfs/dbraw/zinc/02/71/98/1024027198.db2.gz LQFQPLNDHNIULB-GMQQQROESA-N 2 1 344.543 3.959 20 0 EHADMP [NH3+]C1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCCCC1 ZINC000414848534 1024194258 /nfs/dbraw/zinc/19/42/58/1024194258.db2.gz WGNVUSLSGSOOEN-UHFFFAOYSA-N 2 1 335.923 3.556 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023768 1024290353 /nfs/dbraw/zinc/29/03/53/1024290353.db2.gz XUUQCDLMHIQPSK-PYOJYGLTSA-N 3 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168023768 1024290367 /nfs/dbraw/zinc/29/03/67/1024290367.db2.gz XUUQCDLMHIQPSK-PYOJYGLTSA-N 2 1 343.559 3.890 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000443656915 1024360490 /nfs/dbraw/zinc/36/04/90/1024360490.db2.gz LXPSVIJMIGUHOM-WBVHZDCISA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000443656915 1024360504 /nfs/dbraw/zinc/36/05/04/1024360504.db2.gz LXPSVIJMIGUHOM-WBVHZDCISA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000443656915 1024360520 /nfs/dbraw/zinc/36/05/20/1024360520.db2.gz LXPSVIJMIGUHOM-WBVHZDCISA-N 2 1 326.406 3.930 20 0 EHADMP Cc1c(F)cccc1-c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000430120578 1024369541 /nfs/dbraw/zinc/36/95/41/1024369541.db2.gz FNHOHCSIISKMDQ-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430120578 1024369557 /nfs/dbraw/zinc/36/95/57/1024369557.db2.gz FNHOHCSIISKMDQ-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000430120578 1024369573 /nfs/dbraw/zinc/36/95/73/1024369573.db2.gz FNHOHCSIISKMDQ-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000430120578 1024369588 /nfs/dbraw/zinc/36/95/88/1024369588.db2.gz FNHOHCSIISKMDQ-HXUWFJFHSA-N 2 1 328.431 3.922 20 0 EHADMP COc1ccccc1[C@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346145543 1024446029 /nfs/dbraw/zinc/44/60/29/1024446029.db2.gz SNGFJDOXVIFNOB-HXUWFJFHSA-N 2 1 348.450 3.921 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000346151357 1024453117 /nfs/dbraw/zinc/45/31/17/1024453117.db2.gz YQWKYZZMMBOBMS-IBGZPJMESA-N 2 1 332.451 3.640 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000346181916 1024497709 /nfs/dbraw/zinc/49/77/09/1024497709.db2.gz VREDOGYWPBCVSQ-UHFFFAOYSA-N 2 1 332.407 3.954 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000346181916 1024497714 /nfs/dbraw/zinc/49/77/14/1024497714.db2.gz VREDOGYWPBCVSQ-UHFFFAOYSA-N 2 1 332.407 3.954 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2C2CCCCC2)C[C@@H]1C ZINC000346194095 1024513368 /nfs/dbraw/zinc/51/33/68/1024513368.db2.gz XSWNXWYSNFTTRI-QFBILLFUSA-N 2 1 332.536 3.772 20 0 EHADMP c1cc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)sn1 ZINC000895526407 1024585555 /nfs/dbraw/zinc/58/55/55/1024585555.db2.gz AJDGJEZZLGRVED-VQIMIIECSA-N 2 1 327.497 3.643 20 0 EHADMP c1cc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)sn1 ZINC000895526407 1024585557 /nfs/dbraw/zinc/58/55/57/1024585557.db2.gz AJDGJEZZLGRVED-VQIMIIECSA-N 2 1 327.497 3.643 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138362 1024667008 /nfs/dbraw/zinc/66/70/08/1024667008.db2.gz YKKZXFKOLJPAFZ-OAQYLSRUSA-N 2 1 337.467 3.710 20 0 EHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138362 1024667016 /nfs/dbraw/zinc/66/70/16/1024667016.db2.gz YKKZXFKOLJPAFZ-OAQYLSRUSA-N 2 1 337.467 3.710 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138362 1024667022 /nfs/dbraw/zinc/66/70/22/1024667022.db2.gz YKKZXFKOLJPAFZ-OAQYLSRUSA-N 2 1 337.467 3.710 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Oc1cccnc1 ZINC000430138362 1024667028 /nfs/dbraw/zinc/66/70/28/1024667028.db2.gz YKKZXFKOLJPAFZ-OAQYLSRUSA-N 2 1 337.467 3.710 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccccc2F)CC1 ZINC000505642690 1024733783 /nfs/dbraw/zinc/73/37/83/1024733783.db2.gz WWODYHMROHEZAD-UHFFFAOYSA-N 2 1 341.474 3.600 20 0 EHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccccc2F)CC1 ZINC000505642690 1024733793 /nfs/dbraw/zinc/73/37/93/1024733793.db2.gz WWODYHMROHEZAD-UHFFFAOYSA-N 2 1 341.474 3.600 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427695809 1024738736 /nfs/dbraw/zinc/73/87/36/1024738736.db2.gz NRDGQIVGBDDJOV-VBQJREDUSA-N 2 1 341.421 3.940 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOCC(F)(F)F)cc1 ZINC000151828907 1024746410 /nfs/dbraw/zinc/74/64/10/1024746410.db2.gz RHARHQDYMPNWHF-CYBMUJFWSA-N 2 1 341.377 3.800 20 0 EHADMP C[N@H+](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000507970171 1024796941 /nfs/dbraw/zinc/79/69/41/1024796941.db2.gz ZQROWYSCOJQKLL-UHFFFAOYSA-N 2 1 338.536 3.741 20 0 EHADMP C[N@@H+](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000507970171 1024796953 /nfs/dbraw/zinc/79/69/53/1024796953.db2.gz ZQROWYSCOJQKLL-UHFFFAOYSA-N 2 1 338.536 3.741 20 0 EHADMP CC(C)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000508024523 1024852904 /nfs/dbraw/zinc/85/29/04/1024852904.db2.gz CRRBDNVNYCYTKC-UHFFFAOYSA-N 2 1 329.532 3.837 20 0 EHADMP CC(C)C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000474389241 1024868575 /nfs/dbraw/zinc/86/85/75/1024868575.db2.gz NBSJIOXEXUATFX-YUMYIRISSA-N 2 1 344.543 4.000 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000895861433 1024903385 /nfs/dbraw/zinc/90/33/85/1024903385.db2.gz PILGUOPHNZIXGO-UHFFFAOYSA-N 2 1 334.552 3.881 20 0 EHADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435428071 1024916010 /nfs/dbraw/zinc/91/60/10/1024916010.db2.gz PYBQUHRIQMHIPI-BHIYHBOVSA-N 2 1 348.556 3.897 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034813 1024940462 /nfs/dbraw/zinc/94/04/62/1024940462.db2.gz ORMQZROMEUEYIS-OZOXKJRCSA-N 2 1 349.478 3.684 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034813 1024940470 /nfs/dbraw/zinc/94/04/70/1024940470.db2.gz ORMQZROMEUEYIS-OZOXKJRCSA-N 2 1 349.478 3.684 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000520792798 1024956965 /nfs/dbraw/zinc/95/69/65/1024956965.db2.gz HMPNDARONNHWQL-INIZCTEOSA-N 2 1 349.494 3.597 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000346662050 1024997767 /nfs/dbraw/zinc/99/77/67/1024997767.db2.gz VVIAYNFGBPUKJS-UHFFFAOYSA-N 2 1 339.414 3.699 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657311425 1025001435 /nfs/dbraw/zinc/00/14/35/1025001435.db2.gz JYUUXSBGLYASNX-WIYYLYMNSA-N 2 1 346.515 3.599 20 0 EHADMP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435622275 1025037910 /nfs/dbraw/zinc/03/79/10/1025037910.db2.gz CPMOMAOYZVHTRE-FQEVSTJZSA-N 2 1 337.467 3.513 20 0 EHADMP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435622275 1025037923 /nfs/dbraw/zinc/03/79/23/1025037923.db2.gz CPMOMAOYZVHTRE-FQEVSTJZSA-N 2 1 337.467 3.513 20 0 EHADMP COc1ccccc1CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000435640050 1025044012 /nfs/dbraw/zinc/04/40/12/1025044012.db2.gz YIJBJUDBKUJYLQ-HXUWFJFHSA-N 2 1 330.516 3.824 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000281440432 1025052047 /nfs/dbraw/zinc/05/20/47/1025052047.db2.gz SCZAWKSBGDASPB-UTKZUKDTSA-N 2 1 340.515 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000281440432 1025052053 /nfs/dbraw/zinc/05/20/53/1025052053.db2.gz SCZAWKSBGDASPB-UTKZUKDTSA-N 2 1 340.515 3.773 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCC(F)(F)F)cc1F ZINC000665260008 1025055140 /nfs/dbraw/zinc/05/51/40/1025055140.db2.gz WMNFSJZXQDANFB-WHOFXGATSA-N 2 1 348.384 3.600 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000522708569 1025160190 /nfs/dbraw/zinc/16/01/90/1025160190.db2.gz DHJWBMWFLFDPDQ-ICSRJNTNSA-N 2 1 337.511 3.613 20 0 EHADMP COC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725578 1025189479 /nfs/dbraw/zinc/18/94/79/1025189479.db2.gz OZFHVTKWHZISAI-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000469725578 1025189487 /nfs/dbraw/zinc/18/94/87/1025189487.db2.gz OZFHVTKWHZISAI-WOJBJXKFSA-N 2 1 330.516 3.788 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000474608323 1025206641 /nfs/dbraw/zinc/20/66/41/1025206641.db2.gz UWWPDMKEDZCDEK-OYGLOCFBSA-N 2 1 338.536 3.599 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382907 1025210357 /nfs/dbraw/zinc/21/03/57/1025210357.db2.gz FYBUXNCZJZKDCO-RTWAWAEBSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)C[C@@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382907 1025210365 /nfs/dbraw/zinc/21/03/65/1025210365.db2.gz FYBUXNCZJZKDCO-RTWAWAEBSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Oc1cccnc1 ZINC000346854823 1025243864 /nfs/dbraw/zinc/24/38/64/1025243864.db2.gz UOBFYLXDGDHCNO-IHPCNDPISA-N 2 1 337.467 3.742 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453223457 1025252062 /nfs/dbraw/zinc/25/20/62/1025252062.db2.gz RMKIWSXSLRLFJH-ZRBLBEILSA-N 2 1 349.522 3.965 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346883824 1025254522 /nfs/dbraw/zinc/25/45/22/1025254522.db2.gz ZDHKDJWELOHTFI-JKSUJKDBSA-N 2 1 347.503 3.569 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000116396423 1025268400 /nfs/dbraw/zinc/26/84/00/1025268400.db2.gz ZMOSDOLIBKUWBF-FUHWJXTLSA-N 2 1 333.520 3.586 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)CCCO2 ZINC000346877723 1025272442 /nfs/dbraw/zinc/27/24/42/1025272442.db2.gz KTJPSUVWWHSVKY-VQIMIIECSA-N 2 1 332.488 3.763 20 0 EHADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000665280661 1025286473 /nfs/dbraw/zinc/28/64/73/1025286473.db2.gz ILONJGRXPKMLRL-ZIAGYGMSSA-N 2 1 329.257 3.539 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@@](C)(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040192 1025299709 /nfs/dbraw/zinc/29/97/09/1025299709.db2.gz KOVZRTBJBMXXQY-DBXWQHBBSA-N 2 1 330.516 3.665 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@](C)(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040192 1025299723 /nfs/dbraw/zinc/29/97/23/1025299723.db2.gz KOVZRTBJBMXXQY-DBXWQHBBSA-N 2 1 330.516 3.665 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C)c1 ZINC000436047219 1025329587 /nfs/dbraw/zinc/32/95/87/1025329587.db2.gz ILENKOOZPYDXDP-SJORKVTESA-N 2 1 329.513 3.933 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C)c1 ZINC000436047219 1025329599 /nfs/dbraw/zinc/32/95/99/1025329599.db2.gz ILENKOOZPYDXDP-SJORKVTESA-N 2 1 329.513 3.933 20 0 EHADMP CC(C)O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000428252153 1025334137 /nfs/dbraw/zinc/33/41/37/1025334137.db2.gz FNXVWPISIFCXCC-CTNGQTDRSA-N 2 1 330.516 3.961 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000436058242 1025335264 /nfs/dbraw/zinc/33/52/64/1025335264.db2.gz XWSHGDHWDCYUSJ-VQIMIIECSA-N 2 1 341.524 3.941 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000436058242 1025335278 /nfs/dbraw/zinc/33/52/78/1025335278.db2.gz XWSHGDHWDCYUSJ-VQIMIIECSA-N 2 1 341.524 3.941 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442648787 1025409872 /nfs/dbraw/zinc/40/98/72/1025409872.db2.gz LXUUWZKNSUBMRZ-INIZCTEOSA-N 2 1 325.500 3.879 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425501431 1025509851 /nfs/dbraw/zinc/50/98/51/1025509851.db2.gz FUZPCGVMERIYNA-MRXNPFEDSA-N 2 1 333.545 3.686 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(cccc3C)[nH]2)[C@@H](C)C1 ZINC000657364083 1025518783 /nfs/dbraw/zinc/51/87/83/1025518783.db2.gz SHEAPBXYVAKACZ-FXAWDEMLSA-N 2 1 343.515 3.703 20 0 EHADMP CCc1ccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000442870657 1025543596 /nfs/dbraw/zinc/54/35/96/1025543596.db2.gz GQZAMTDSVOVLHJ-FQEVSTJZSA-N 2 1 331.548 3.562 20 0 EHADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H](C)C[NH2+]C)nc1 ZINC000665298615 1025559923 /nfs/dbraw/zinc/55/99/23/1025559923.db2.gz ZCJCATFUIVETHU-YWZLYKJASA-N 2 1 345.918 3.649 20 0 EHADMP C[C@@H]([NH2+]Cc1noc2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000574583734 1033291764 /nfs/dbraw/zinc/29/17/64/1033291764.db2.gz MYXJKNJNMWYBSL-OAHLLOKOSA-N 2 1 339.439 3.619 20 0 EHADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000280870608 1025574729 /nfs/dbraw/zinc/57/47/29/1025574729.db2.gz DCQRMWSCJXOAHR-LJQANCHMSA-N 2 1 338.499 3.623 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442933007 1025595939 /nfs/dbraw/zinc/59/59/39/1025595939.db2.gz ZHBHCLGFVYAPNL-QGZVFWFLSA-N 2 1 326.488 3.557 20 0 EHADMP Cc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c(C)[nH+]1 ZINC000521703478 1025610956 /nfs/dbraw/zinc/61/09/56/1025610956.db2.gz UYHYLNLXOIUZGL-HXUWFJFHSA-N 2 1 340.467 3.677 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374109 1025667363 /nfs/dbraw/zinc/66/73/63/1025667363.db2.gz DYROMAXHWVOOEC-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374109 1025667376 /nfs/dbraw/zinc/66/73/76/1025667376.db2.gz DYROMAXHWVOOEC-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1Br ZINC000392297495 1025694278 /nfs/dbraw/zinc/69/42/78/1025694278.db2.gz VPYRQLFSGYKHGS-LLVKDONJSA-N 2 1 327.241 3.501 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000474870971 1025725915 /nfs/dbraw/zinc/72/59/15/1025725915.db2.gz VZGNCMBAUKBALV-FDYSRKEFSA-N 2 1 338.536 3.599 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000474870971 1025725931 /nfs/dbraw/zinc/72/59/31/1025725931.db2.gz VZGNCMBAUKBALV-FDYSRKEFSA-N 2 1 338.536 3.599 20 0 EHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000639378542 1025745807 /nfs/dbraw/zinc/74/58/07/1025745807.db2.gz HXKHDNWKYGQDGE-UHFFFAOYSA-N 2 1 340.515 3.702 20 0 EHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530411876 1025784474 /nfs/dbraw/zinc/78/44/74/1025784474.db2.gz YYIKINDOQVGNOK-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530411876 1025784492 /nfs/dbraw/zinc/78/44/92/1025784492.db2.gz YYIKINDOQVGNOK-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530411876 1025784511 /nfs/dbraw/zinc/78/45/11/1025784511.db2.gz YYIKINDOQVGNOK-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cc2)n1 ZINC000444175107 1025875857 /nfs/dbraw/zinc/87/58/57/1025875857.db2.gz ZFCWVJUWNRGXGS-FQEVSTJZSA-N 2 1 340.515 3.795 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cc2)n1 ZINC000444175107 1025875874 /nfs/dbraw/zinc/87/58/74/1025875874.db2.gz ZFCWVJUWNRGXGS-FQEVSTJZSA-N 2 1 340.515 3.795 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cc2)n1 ZINC000444175107 1025875892 /nfs/dbraw/zinc/87/58/92/1025875892.db2.gz ZFCWVJUWNRGXGS-FQEVSTJZSA-N 2 1 340.515 3.795 20 0 EHADMP Cc1cc(C)n(-c2ccc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cc2)n1 ZINC000444175107 1025875916 /nfs/dbraw/zinc/87/59/16/1025875916.db2.gz ZFCWVJUWNRGXGS-FQEVSTJZSA-N 2 1 340.515 3.795 20 0 EHADMP C[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000582447386 1026280220 /nfs/dbraw/zinc/28/02/20/1026280220.db2.gz JVDNRAWWIMMZGQ-JBACZVJFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447386 1026280231 /nfs/dbraw/zinc/28/02/31/1026280231.db2.gz JVDNRAWWIMMZGQ-JBACZVJFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447386 1026280244 /nfs/dbraw/zinc/28/02/44/1026280244.db2.gz JVDNRAWWIMMZGQ-JBACZVJFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582447386 1026280253 /nfs/dbraw/zinc/28/02/53/1026280253.db2.gz JVDNRAWWIMMZGQ-JBACZVJFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582447386 1026280267 /nfs/dbraw/zinc/28/02/67/1026280267.db2.gz JVDNRAWWIMMZGQ-JBACZVJFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000475189977 1026319212 /nfs/dbraw/zinc/31/92/12/1026319212.db2.gz DDFHBLPCVGKGMU-IXDOHACOSA-N 2 1 338.923 3.923 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000475189977 1026319226 /nfs/dbraw/zinc/31/92/26/1026319226.db2.gz DDFHBLPCVGKGMU-IXDOHACOSA-N 2 1 338.923 3.923 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)ccc1OC ZINC000840815246 1026377403 /nfs/dbraw/zinc/37/74/03/1026377403.db2.gz CPKLRIUNMMMKSJ-HOTGVXAUSA-N 2 1 344.503 3.682 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620368 1026478154 /nfs/dbraw/zinc/47/81/54/1026478154.db2.gz WVUOULXHTMRRQL-IEBWSBKVSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620368 1026478159 /nfs/dbraw/zinc/47/81/59/1026478159.db2.gz WVUOULXHTMRRQL-IEBWSBKVSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620368 1026478165 /nfs/dbraw/zinc/47/81/65/1026478165.db2.gz WVUOULXHTMRRQL-IEBWSBKVSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000342620368 1026478169 /nfs/dbraw/zinc/47/81/69/1026478169.db2.gz WVUOULXHTMRRQL-IEBWSBKVSA-N 2 1 340.515 3.660 20 0 EHADMP C[C@@H]1CC([NH+]2CC(c3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062331 1026526920 /nfs/dbraw/zinc/52/69/20/1026526920.db2.gz KBFXAJJRORTENT-QZTJIDSGSA-N 2 1 335.495 3.922 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000531152762 1026614766 /nfs/dbraw/zinc/61/47/66/1026614766.db2.gz PDOUEOUXPKHMHU-PGRDOPGGSA-N 2 1 348.490 3.963 20 0 EHADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931232 1026642153 /nfs/dbraw/zinc/64/21/53/1026642153.db2.gz YAKITPDBQFYAIZ-GHTZIAJQSA-N 2 1 338.495 3.825 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@@H](CCO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065483 1026647174 /nfs/dbraw/zinc/64/71/74/1026647174.db2.gz WTSUGVYPEANJFA-GGPKGHCWSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@H](CCO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065483 1026647183 /nfs/dbraw/zinc/64/71/83/1026647183.db2.gz WTSUGVYPEANJFA-GGPKGHCWSA-N 2 1 330.516 3.522 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000657483371 1026695583 /nfs/dbraw/zinc/69/55/83/1026695583.db2.gz QANAPXMOMVPIOI-AYHJJNSGSA-N 2 1 327.497 3.833 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCn4ccnc43)c2)CC1 ZINC000655716752 1026700804 /nfs/dbraw/zinc/70/08/04/1026700804.db2.gz MYTUXZABVJPLFI-HXUWFJFHSA-N 2 1 338.499 3.740 20 0 EHADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301246360 1026736857 /nfs/dbraw/zinc/73/68/57/1026736857.db2.gz LGPASIACIKJZPZ-CYBMUJFWSA-N 2 1 334.261 3.528 20 0 EHADMP CCc1cc(NC[C@H](c2ccccc2OC)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000301368805 1026779181 /nfs/dbraw/zinc/77/91/81/1026779181.db2.gz UCGAYYRYQIQTTL-GOSISDBHSA-N 2 1 340.471 3.605 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342718457 1026827270 /nfs/dbraw/zinc/82/72/70/1026827270.db2.gz YMCURVTUQIZSRI-OALUTQOASA-N 2 1 327.472 3.807 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1 ZINC000301735844 1026920416 /nfs/dbraw/zinc/92/04/16/1026920416.db2.gz RCQJMKHLNMDUKW-INIZCTEOSA-N 2 1 339.487 3.529 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1 ZINC000301735844 1026920424 /nfs/dbraw/zinc/92/04/24/1026920424.db2.gz RCQJMKHLNMDUKW-INIZCTEOSA-N 2 1 339.487 3.529 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCCNc2ncnc3c2cnn3C(C)(C)C)C1 ZINC000301880862 1026976729 /nfs/dbraw/zinc/97/67/29/1026976729.db2.gz KAKPGBXANQACIT-HNNXBMFYSA-N 2 1 344.507 3.505 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000125811540 1027128121 /nfs/dbraw/zinc/12/81/21/1027128121.db2.gz ILJQLBHGWRECPH-NRFANRHFSA-N 2 1 334.467 3.878 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000125811540 1027128128 /nfs/dbraw/zinc/12/81/28/1027128128.db2.gz ILJQLBHGWRECPH-NRFANRHFSA-N 2 1 334.467 3.878 20 0 EHADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568073 1027198339 /nfs/dbraw/zinc/19/83/39/1027198339.db2.gz XNPMMZAOCWSXMC-DOTOQJQBSA-N 2 1 334.826 3.743 20 0 EHADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568073 1027198349 /nfs/dbraw/zinc/19/83/49/1027198349.db2.gz XNPMMZAOCWSXMC-DOTOQJQBSA-N 2 1 334.826 3.743 20 0 EHADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568078 1027199366 /nfs/dbraw/zinc/19/93/66/1027199366.db2.gz XNPMMZAOCWSXMC-RDJZCZTQSA-N 2 1 334.826 3.743 20 0 EHADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000302568078 1027199375 /nfs/dbraw/zinc/19/93/75/1027199375.db2.gz XNPMMZAOCWSXMC-RDJZCZTQSA-N 2 1 334.826 3.743 20 0 EHADMP Cc1ncc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813922 1027244573 /nfs/dbraw/zinc/24/45/73/1027244573.db2.gz DZMVBAGYHACXKR-RHSMWYFYSA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813922 1027244591 /nfs/dbraw/zinc/24/45/91/1027244591.db2.gz DZMVBAGYHACXKR-RHSMWYFYSA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813922 1027244609 /nfs/dbraw/zinc/24/46/09/1027244609.db2.gz DZMVBAGYHACXKR-RHSMWYFYSA-N 2 1 344.528 3.718 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccn3)[C@H]3CCC[C@H]32)cc1 ZINC000453052671 1027296054 /nfs/dbraw/zinc/29/60/54/1027296054.db2.gz DCYQBRCUVALYMT-BHIFYINESA-N 2 1 335.495 3.657 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)C1 ZINC000273232963 1027324998 /nfs/dbraw/zinc/32/49/98/1027324998.db2.gz RXFDSCVRGUVNTO-KRWDZBQOSA-N 2 1 343.515 3.589 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000453106652 1027376136 /nfs/dbraw/zinc/37/61/36/1027376136.db2.gz ZCDIEDATVNWQHK-AZUAARDMSA-N 2 1 349.950 3.593 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453117738 1027390610 /nfs/dbraw/zinc/39/06/10/1027390610.db2.gz IGYFLAOCZGMJLL-HBMCJLEFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(-c2ccccc2)nn1C ZINC000453124176 1027402210 /nfs/dbraw/zinc/40/22/10/1027402210.db2.gz GARUGMJDPHNRFK-CGTJXYLNSA-N 2 1 326.488 3.611 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000420304185 1027452369 /nfs/dbraw/zinc/45/23/69/1027452369.db2.gz LERVJVHTPDNFNX-QGZVFWFLSA-N 2 1 328.431 3.541 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]21 ZINC000420313919 1027460448 /nfs/dbraw/zinc/46/04/48/1027460448.db2.gz UUFZCFDQZAGTNX-SLEUVZQESA-N 2 1 349.450 3.648 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]21 ZINC000420313919 1027460455 /nfs/dbraw/zinc/46/04/55/1027460455.db2.gz UUFZCFDQZAGTNX-SLEUVZQESA-N 2 1 349.450 3.648 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000420323889 1027460648 /nfs/dbraw/zinc/46/06/48/1027460648.db2.gz UOKKJRUFOZJUNI-KRWDZBQOSA-N 2 1 328.431 3.541 20 0 EHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326688 1027477964 /nfs/dbraw/zinc/47/79/64/1027477964.db2.gz KHXFIBKOCBDUFM-NJAFHUGGSA-N 2 1 325.456 3.724 20 0 EHADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000420361992 1027488844 /nfs/dbraw/zinc/48/88/44/1027488844.db2.gz AAKBHXITNWIXBW-ZBFHGGJFSA-N 2 1 326.406 3.884 20 0 EHADMP C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@H]1CCC[NH2+]C1 ZINC000420368194 1027495161 /nfs/dbraw/zinc/49/51/61/1027495161.db2.gz HODUVWNUNBOCRV-HZPDHXFCSA-N 2 1 333.545 3.591 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453182946 1027502410 /nfs/dbraw/zinc/50/24/10/1027502410.db2.gz TYTDPWGEQMADEJ-SFHVURJKSA-N 2 1 349.316 3.622 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000129912966 1027617529 /nfs/dbraw/zinc/61/75/29/1027617529.db2.gz PNCXXKBSCVUCOL-OAHLLOKOSA-N 2 1 344.890 3.648 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000129912966 1027617536 /nfs/dbraw/zinc/61/75/36/1027617536.db2.gz PNCXXKBSCVUCOL-OAHLLOKOSA-N 2 1 344.890 3.648 20 0 EHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000414655584 1027716894 /nfs/dbraw/zinc/71/68/94/1027716894.db2.gz DHCXKXHNXOHMGA-UHFFFAOYSA-N 2 1 348.922 3.618 20 0 EHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000414655584 1027716897 /nfs/dbraw/zinc/71/68/97/1027716897.db2.gz DHCXKXHNXOHMGA-UHFFFAOYSA-N 2 1 348.922 3.618 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414667343 1027777238 /nfs/dbraw/zinc/77/72/38/1027777238.db2.gz YIXYMMIEZTYJDX-HGGRVWGASA-N 2 1 336.479 3.948 20 0 EHADMP CC(C)(CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000422705961 1027863900 /nfs/dbraw/zinc/86/39/00/1027863900.db2.gz SKGMVKACMZIUDQ-RTWAWAEBSA-N 2 1 335.495 3.558 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000359892646 1027866222 /nfs/dbraw/zinc/86/62/22/1027866222.db2.gz AAZNEBFHQKRTJI-PKOBYXMFSA-N 2 1 332.463 3.712 20 0 EHADMP Fc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000339067986 1027897063 /nfs/dbraw/zinc/89/70/63/1027897063.db2.gz OVAXKHMCTRFTOA-IRXDYDNUSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000339067986 1027897083 /nfs/dbraw/zinc/89/70/83/1027897083.db2.gz OVAXKHMCTRFTOA-IRXDYDNUSA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000339067986 1027897102 /nfs/dbraw/zinc/89/71/02/1027897102.db2.gz OVAXKHMCTRFTOA-IRXDYDNUSA-N 2 1 341.430 3.729 20 0 EHADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727926 1027898561 /nfs/dbraw/zinc/89/85/61/1027898561.db2.gz DUJGASHXUDCBLC-HCXYKTFWSA-N 2 1 347.572 3.785 20 0 EHADMP CC[NH2+]Cc1ccccc1NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000422746155 1027914790 /nfs/dbraw/zinc/91/47/90/1027914790.db2.gz WAVOUPSXZSGFKQ-FQEVSTJZSA-N 2 1 339.483 3.645 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)CC[NH2+]1 ZINC000666701965 1027941677 /nfs/dbraw/zinc/94/16/77/1027941677.db2.gz QUASHLYMVNZXNE-CKEIUWERSA-N 2 1 337.305 3.974 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC/C=C/c3ccccc3)CC2)CC1 ZINC000420977087 1027957446 /nfs/dbraw/zinc/95/74/46/1027957446.db2.gz HRNMLCLRCCYAEN-IZZDOVSWSA-N 2 1 341.543 3.582 20 0 EHADMP c1ccc(COC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422791627 1027965658 /nfs/dbraw/zinc/96/56/58/1027965658.db2.gz WHGWODGKQYJDEP-PJEZACDQSA-N 2 1 336.479 3.817 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422858489 1027998659 /nfs/dbraw/zinc/99/86/59/1027998659.db2.gz IUHZUEDZMWJONH-BHIFYINESA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422858489 1027998675 /nfs/dbraw/zinc/99/86/75/1027998675.db2.gz IUHZUEDZMWJONH-BHIFYINESA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422858489 1027998691 /nfs/dbraw/zinc/99/86/91/1027998691.db2.gz IUHZUEDZMWJONH-BHIFYINESA-N 2 1 343.559 3.927 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422886600 1028023893 /nfs/dbraw/zinc/02/38/93/1028023893.db2.gz XELPYGCOCGYTLW-FDKIHUSFSA-N 3 1 335.580 3.645 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422902827 1028035726 /nfs/dbraw/zinc/03/57/26/1028035726.db2.gz NSYZQIIKBZBCCV-MSOLQXFVSA-N 2 1 329.419 3.763 20 0 EHADMP Cn1cc(-c2cccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)cn1 ZINC000422968595 1028084096 /nfs/dbraw/zinc/08/40/96/1028084096.db2.gz XGJPEGUWOUYZIC-FGZHOGPDSA-N 2 1 346.478 3.670 20 0 EHADMP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)o2)cs1 ZINC000422949120 1028086768 /nfs/dbraw/zinc/08/67/68/1028086768.db2.gz SWCQGQVOXNJAOX-BZUAXINKSA-N 2 1 331.485 3.722 20 0 EHADMP COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422949980 1028088356 /nfs/dbraw/zinc/08/83/56/1028088356.db2.gz WWNUJOHJOGBTFR-KBPBESRZSA-N 2 1 331.485 3.582 20 0 EHADMP C[C@@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422982352 1028108902 /nfs/dbraw/zinc/10/89/02/1028108902.db2.gz QRBHKEZDVMDKSI-QRWLVFNGSA-N 2 1 325.456 3.629 20 0 EHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004395 1028118119 /nfs/dbraw/zinc/11/81/19/1028118119.db2.gz OWLOFJUNKRSGSL-HOTGVXAUSA-N 2 1 330.394 3.515 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)c1ccccc1Br)c1c[nH+]ccc1N ZINC000422995980 1028134271 /nfs/dbraw/zinc/13/42/71/1028134271.db2.gz KSRVCXZJASRWCY-GFCCVEGCSA-N 2 1 348.288 3.885 20 0 EHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000120810465 1028154273 /nfs/dbraw/zinc/15/42/73/1028154273.db2.gz NCTAETFJAQJWKU-MRXNPFEDSA-N 2 1 346.906 3.574 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000120810465 1028154285 /nfs/dbraw/zinc/15/42/85/1028154285.db2.gz NCTAETFJAQJWKU-MRXNPFEDSA-N 2 1 346.906 3.574 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000423184417 1028229682 /nfs/dbraw/zinc/22/96/82/1028229682.db2.gz SXMZCOJARGWTOX-UHFFFAOYSA-N 3 1 329.532 3.681 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N)CCCCC2)CC1 ZINC000423184417 1028229695 /nfs/dbraw/zinc/22/96/95/1028229695.db2.gz SXMZCOJARGWTOX-UHFFFAOYSA-N 2 1 329.532 3.681 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N)CCCCC2)CC1 ZINC000423184417 1028229704 /nfs/dbraw/zinc/22/97/04/1028229704.db2.gz SXMZCOJARGWTOX-UHFFFAOYSA-N 2 1 329.532 3.681 20 0 EHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187370 1028257825 /nfs/dbraw/zinc/25/78/25/1028257825.db2.gz MRNOAAHDPQUTBH-AWEZNQCLSA-N 2 1 333.863 3.574 20 0 EHADMP C[NH2+]CCC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423203216 1028269764 /nfs/dbraw/zinc/26/97/64/1028269764.db2.gz RYSQHZMBQLIMCB-FQEVSTJZSA-N 3 1 335.511 3.578 20 0 EHADMP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000423231525 1028296816 /nfs/dbraw/zinc/29/68/16/1028296816.db2.gz LLTRVLUKULXKOT-OAADDMNDSA-N 3 1 341.543 3.537 20 0 EHADMP Cn1ccnc1C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414726347 1028320226 /nfs/dbraw/zinc/32/02/26/1028320226.db2.gz YVJPURQZJLEIBC-GOSISDBHSA-N 2 1 344.547 3.581 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)cc1 ZINC000423291329 1028327738 /nfs/dbraw/zinc/32/77/38/1028327738.db2.gz HWLGXEPVKLHNFS-HZPDHXFCSA-N 2 1 334.467 3.958 20 0 EHADMP COc1ccc(C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270673 1028334815 /nfs/dbraw/zinc/33/48/15/1028334815.db2.gz IJMLUTJTZQWUJS-LEWJYISDSA-N 2 1 342.483 3.561 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423272302 1028335945 /nfs/dbraw/zinc/33/59/45/1028335945.db2.gz JUOJAMLBBJYJKP-VFNWGFHPSA-N 2 1 337.442 3.908 20 0 EHADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423276742 1028336591 /nfs/dbraw/zinc/33/65/91/1028336591.db2.gz OYCOFTHRRHLEKK-QWRGUYRKSA-N 2 1 325.250 3.701 20 0 EHADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423307454 1028342648 /nfs/dbraw/zinc/34/26/48/1028342648.db2.gz WDJLJQCXQXNJBS-MRVPVSSYSA-N 2 1 326.284 3.594 20 0 EHADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319097 1028349984 /nfs/dbraw/zinc/34/99/84/1028349984.db2.gz LOHBRNLKOIBLIA-VLIAUNLRSA-N 2 1 328.431 3.793 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc(C)n1 ZINC000421390832 1028364148 /nfs/dbraw/zinc/36/41/48/1028364148.db2.gz VHBJCURCYJHAIP-YPAWHYETSA-N 2 1 335.495 3.699 20 0 EHADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423333680 1028370388 /nfs/dbraw/zinc/37/03/88/1028370388.db2.gz QFBWZYKNZWQQNZ-MEDUHNTESA-N 2 1 332.822 3.982 20 0 EHADMP Fc1cc(Br)ccc1[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423363223 1028389180 /nfs/dbraw/zinc/38/91/80/1028389180.db2.gz NSZUOUNTTNYRLC-CJNGLKHVSA-N 2 1 341.268 3.771 20 0 EHADMP CCCCCCOc1cccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729683381 1028418540 /nfs/dbraw/zinc/41/85/40/1028418540.db2.gz MCGDNOMZTSELEX-PZJWPPBQSA-N 2 1 346.515 3.599 20 0 EHADMP CCCCCCOc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000729683381 1028418554 /nfs/dbraw/zinc/41/85/54/1028418554.db2.gz MCGDNOMZTSELEX-PZJWPPBQSA-N 2 1 346.515 3.599 20 0 EHADMP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)cc2)cc1 ZINC000423403964 1028422810 /nfs/dbraw/zinc/42/28/10/1028422810.db2.gz SIVXWCYBFKHEIG-VHKYSDTDSA-N 2 1 328.431 3.511 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000339245140 1028432764 /nfs/dbraw/zinc/43/27/64/1028432764.db2.gz CMAZFUAKIWEZMZ-SFHVURJKSA-N 2 1 343.515 3.876 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccccc1Br ZINC000423478160 1028461800 /nfs/dbraw/zinc/46/18/00/1028461800.db2.gz MURUTOGVXTYFGY-RISCZKNCSA-N 2 1 347.247 3.735 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000423489247 1028476585 /nfs/dbraw/zinc/47/65/85/1028476585.db2.gz XCFNRWXRESNRQI-OAHLLOKOSA-N 3 1 345.522 3.500 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534943 1028487904 /nfs/dbraw/zinc/48/79/04/1028487904.db2.gz WUALARPBEIVFAL-KXBFYZLASA-N 2 1 346.519 3.728 20 0 EHADMP c1ccc([C@@H](CC2CCC2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423525065 1028499081 /nfs/dbraw/zinc/49/90/81/1028499081.db2.gz XTQJZNAPXOKEMI-LZBANZJXSA-N 2 1 341.543 3.724 20 0 EHADMP CCN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000502695464 1028563569 /nfs/dbraw/zinc/56/35/69/1028563569.db2.gz XCRRLIOMYKQMND-JBACZVJFSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000502695464 1028563581 /nfs/dbraw/zinc/56/35/81/1028563581.db2.gz XCRRLIOMYKQMND-JBACZVJFSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000502695464 1028563590 /nfs/dbraw/zinc/56/35/90/1028563590.db2.gz XCRRLIOMYKQMND-JBACZVJFSA-N 2 1 329.532 3.628 20 0 EHADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)cn1 ZINC000343001396 1028596812 /nfs/dbraw/zinc/59/68/12/1028596812.db2.gz SUGCMSXGAPODAB-IBGZPJMESA-N 2 1 347.418 3.938 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000153782918 1028735516 /nfs/dbraw/zinc/73/55/16/1028735516.db2.gz LHRNZNMHGAFBRG-INIZCTEOSA-N 2 1 328.431 3.509 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000247087920 1028740755 /nfs/dbraw/zinc/74/07/55/1028740755.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000247087920 1028740767 /nfs/dbraw/zinc/74/07/67/1028740767.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000247087920 1028740780 /nfs/dbraw/zinc/74/07/80/1028740780.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000247087920 1028740789 /nfs/dbraw/zinc/74/07/89/1028740789.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000247087920 1028740802 /nfs/dbraw/zinc/74/08/02/1028740802.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000247087920 1028740814 /nfs/dbraw/zinc/74/08/14/1028740814.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000247087920 1028740829 /nfs/dbraw/zinc/74/08/29/1028740829.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000247087920 1028740846 /nfs/dbraw/zinc/74/08/46/1028740846.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000247087920 1028740854 /nfs/dbraw/zinc/74/08/54/1028740854.db2.gz PEYFKVWKSJNZAF-UEXGIBASSA-N 2 1 329.532 3.633 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)[C@H](C)C1 ZINC000247090525 1028741405 /nfs/dbraw/zinc/74/14/05/1028741405.db2.gz DSPULAOAJKTVQI-RWQQGDIJSA-N 2 1 334.504 3.630 20 0 EHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771625 1028765837 /nfs/dbraw/zinc/76/58/37/1028765837.db2.gz ABOWKGVHJMQKFN-HZPDHXFCSA-N 2 1 345.487 3.771 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421826352 1028815893 /nfs/dbraw/zinc/81/58/93/1028815893.db2.gz RYQVSYGFDBJRNW-BFUOFWGJSA-N 2 1 331.435 3.716 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000421875374 1028877534 /nfs/dbraw/zinc/87/75/34/1028877534.db2.gz JUHVZQITJOYIKG-CHDDOOLFSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000421875374 1028877546 /nfs/dbraw/zinc/87/75/46/1028877546.db2.gz JUHVZQITJOYIKG-CHDDOOLFSA-N 2 1 341.543 3.644 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592224 1028902086 /nfs/dbraw/zinc/90/20/86/1028902086.db2.gz GNVUUKCKMSJLSC-TZIWHRDSSA-N 2 1 346.515 3.551 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592224 1028902098 /nfs/dbraw/zinc/90/20/98/1028902098.db2.gz GNVUUKCKMSJLSC-TZIWHRDSSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592224 1028902111 /nfs/dbraw/zinc/90/21/11/1028902111.db2.gz GNVUUKCKMSJLSC-TZIWHRDSSA-N 2 1 346.515 3.551 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245592224 1028902122 /nfs/dbraw/zinc/90/21/22/1028902122.db2.gz GNVUUKCKMSJLSC-TZIWHRDSSA-N 2 1 346.515 3.551 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000248439231 1028904323 /nfs/dbraw/zinc/90/43/23/1028904323.db2.gz IIUMUBQJTPZMPQ-RTWAWAEBSA-N 2 1 342.458 3.633 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245610834 1028921791 /nfs/dbraw/zinc/92/17/91/1028921791.db2.gz LFIGHJADEYSEDZ-DLBZAZTESA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245610834 1028921800 /nfs/dbraw/zinc/92/18/00/1028921800.db2.gz LFIGHJADEYSEDZ-DLBZAZTESA-N 2 1 333.501 3.621 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000424295844 1028937776 /nfs/dbraw/zinc/93/77/76/1028937776.db2.gz RJDIWTCHXNCMGF-HNNXBMFYSA-N 2 1 327.497 3.774 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@@H](C4CC4)C2)C3)cc1 ZINC000248761851 1028948764 /nfs/dbraw/zinc/94/87/64/1028948764.db2.gz DSTATJRUUSKUHK-BIRZXAFVSA-N 2 1 340.511 3.729 20 0 EHADMP c1csc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1 ZINC000414781633 1028987675 /nfs/dbraw/zinc/98/76/75/1028987675.db2.gz NISPHIYARGLSNC-KGLIPLIRSA-N 2 1 333.526 3.693 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000504900033 1029027165 /nfs/dbraw/zinc/02/71/65/1029027165.db2.gz QCJGWLLOGFEOSW-MRXNPFEDSA-N 2 1 342.458 3.933 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccc1F ZINC000504900033 1029027181 /nfs/dbraw/zinc/02/71/81/1029027181.db2.gz QCJGWLLOGFEOSW-MRXNPFEDSA-N 2 1 342.458 3.933 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424378798 1029035683 /nfs/dbraw/zinc/03/56/83/1029035683.db2.gz NWEFMCNVDUBDIB-AWEZNQCLSA-N 2 1 344.890 3.694 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000503080567 1029036022 /nfs/dbraw/zinc/03/60/22/1029036022.db2.gz LPCMHVZZVNJTQA-INIZCTEOSA-N 2 1 339.321 3.844 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(C(F)(F)F)ccc1F)CC[NH2+]CC2 ZINC000424378848 1029036955 /nfs/dbraw/zinc/03/69/55/1029036955.db2.gz OAUBOKFVFUYGJL-LBPRGKRZSA-N 2 1 330.369 3.809 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797961 1029148699 /nfs/dbraw/zinc/14/86/99/1029148699.db2.gz XADIMPHKCSGZCK-RHSMWYFYSA-N 2 1 326.406 3.884 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271759836 1029156726 /nfs/dbraw/zinc/15/67/26/1029156726.db2.gz ZJFMSVDTMDTNCH-YVEFUNNKSA-N 2 1 345.314 3.879 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000271876821 1029213663 /nfs/dbraw/zinc/21/36/63/1029213663.db2.gz OGTUMRDFGFBETM-SBHAEUEKSA-N 2 1 344.543 3.675 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(CO)c2)c1 ZINC000271954563 1029244068 /nfs/dbraw/zinc/24/40/68/1029244068.db2.gz KRUFLYTULYUHKC-KRWDZBQOSA-N 2 1 326.484 3.870 20 0 EHADMP COCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000245772480 1029272774 /nfs/dbraw/zinc/27/27/74/1029272774.db2.gz XMCUEFDSPQPVQV-MZADTFQBSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647937746 1029325586 /nfs/dbraw/zinc/32/55/86/1029325586.db2.gz AHUHGHLPAOOMOW-NQIIRXRSSA-N 2 1 338.495 3.852 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000052209903 1029374646 /nfs/dbraw/zinc/37/46/46/1029374646.db2.gz BEIQRPISTZZBQB-IBGZPJMESA-N 2 1 338.923 3.817 20 0 EHADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCC2)c(-c2cc3ccccc3o2)n1 ZINC000666802266 1029385117 /nfs/dbraw/zinc/38/51/17/1029385117.db2.gz SYTKMQJRRSGJSK-UHFFFAOYSA-N 2 1 338.455 3.585 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1F ZINC000245888653 1029426567 /nfs/dbraw/zinc/42/65/67/1029426567.db2.gz BYXVJEORHJLFAE-SLFFLAALSA-N 2 1 334.479 3.634 20 0 EHADMP COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC(F)F ZINC000078687460 1029428254 /nfs/dbraw/zinc/42/82/54/1029428254.db2.gz ZIBZUBVLWDBNDC-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC(F)F ZINC000078687460 1029428267 /nfs/dbraw/zinc/42/82/67/1029428267.db2.gz ZIBZUBVLWDBNDC-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1OC(F)F ZINC000078687460 1029428279 /nfs/dbraw/zinc/42/82/79/1029428279.db2.gz ZIBZUBVLWDBNDC-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1OC(F)F ZINC000078687460 1029428294 /nfs/dbraw/zinc/42/82/94/1029428294.db2.gz ZIBZUBVLWDBNDC-HNNXBMFYSA-N 2 1 342.430 3.603 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)sc1Br ZINC000343151198 1029488431 /nfs/dbraw/zinc/48/84/31/1029488431.db2.gz ADVBAJFIVJAXNL-SNVBAGLBSA-N 2 1 342.306 3.750 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663499 1029556156 /nfs/dbraw/zinc/55/61/56/1029556156.db2.gz ILTXTJAVTSJBOU-SPEDKVCISA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663499 1029556170 /nfs/dbraw/zinc/55/61/70/1029556170.db2.gz ILTXTJAVTSJBOU-SPEDKVCISA-N 2 1 338.495 3.883 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCC(C)CC2)cc1 ZINC000156004950 1029715090 /nfs/dbraw/zinc/71/50/90/1029715090.db2.gz IVMBEZIBAPWLDI-KRWDZBQOSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCC(C)CC2)cc1 ZINC000156004831 1029715781 /nfs/dbraw/zinc/71/57/81/1029715781.db2.gz IVMBEZIBAPWLDI-QGZVFWFLSA-N 2 1 326.488 3.563 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@@H]1C ZINC000508695665 1029739618 /nfs/dbraw/zinc/73/96/18/1029739618.db2.gz ILHRQYRCVJETDL-BPBCIEFSSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@@H]1C ZINC000508695665 1029739628 /nfs/dbraw/zinc/73/96/28/1029739628.db2.gz ILHRQYRCVJETDL-BPBCIEFSSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@@H]1C ZINC000508695665 1029739633 /nfs/dbraw/zinc/73/96/33/1029739633.db2.gz ILHRQYRCVJETDL-BPBCIEFSSA-N 2 1 343.559 3.750 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718658 1029792791 /nfs/dbraw/zinc/79/27/91/1029792791.db2.gz OCBTWJDBDAKGPL-RXVVDRJESA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H](NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720407 1029794179 /nfs/dbraw/zinc/79/41/79/1029794179.db2.gz RNSUNDBANRLIRJ-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508720407 1029794184 /nfs/dbraw/zinc/79/41/84/1029794184.db2.gz RNSUNDBANRLIRJ-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720407 1029794190 /nfs/dbraw/zinc/79/41/90/1029794190.db2.gz RNSUNDBANRLIRJ-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)CC)cc3)C2)CC1 ZINC000509698429 1029974339 /nfs/dbraw/zinc/97/43/39/1029974339.db2.gz NXDMHYBBRTZDDD-OAQYLSRUSA-N 2 1 343.559 3.586 20 0 EHADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453308379 1030080802 /nfs/dbraw/zinc/08/08/02/1030080802.db2.gz LMSWWMXUKAHXDD-YMPZKCBVSA-N 2 1 349.522 3.965 20 0 EHADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000453324212 1030104296 /nfs/dbraw/zinc/10/42/96/1030104296.db2.gz QLWZMIPKSJOISX-GDAAHCPNSA-N 2 1 336.907 3.532 20 0 EHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453351022 1030143193 /nfs/dbraw/zinc/14/31/93/1030143193.db2.gz GXAUBULQGKVIJF-SIKLNZKXSA-N 2 1 342.527 3.585 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCSCC3)C3(CCC3)C2)cc1 ZINC000657771588 1030150598 /nfs/dbraw/zinc/15/05/98/1030150598.db2.gz KVBYTQGGIYEFCU-SFHVURJKSA-N 2 1 330.541 3.774 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121049283 1030167428 /nfs/dbraw/zinc/16/74/28/1030167428.db2.gz ZISWRBMQBYBMEH-CNNODRBYSA-N 3 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121049283 1030167433 /nfs/dbraw/zinc/16/74/33/1030167433.db2.gz ZISWRBMQBYBMEH-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121049283 1030167443 /nfs/dbraw/zinc/16/74/43/1030167443.db2.gz ZISWRBMQBYBMEH-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)CC1 ZINC000121049283 1030167452 /nfs/dbraw/zinc/16/74/52/1030167452.db2.gz ZISWRBMQBYBMEH-CNNODRBYSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1OC(F)F ZINC000453387833 1030169126 /nfs/dbraw/zinc/16/91/26/1030169126.db2.gz BIFWHJAWVXDDDJ-LBPRGKRZSA-N 2 1 330.394 3.952 20 0 EHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723591 1030212244 /nfs/dbraw/zinc/21/22/44/1030212244.db2.gz QMLSWXHNSBQXOZ-QKYXUNIQSA-N 2 1 328.456 3.602 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1cccc2Br)C1CC1 ZINC000453406535 1030214997 /nfs/dbraw/zinc/21/49/97/1030214997.db2.gz RLUWXUPIZBRNQV-QGZVFWFLSA-N 2 1 337.305 3.900 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C ZINC000482136351 1030219998 /nfs/dbraw/zinc/21/99/98/1030219998.db2.gz PERBWPDOLBVVTE-HBFSDRIKSA-N 2 1 345.531 3.812 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Br)c1 ZINC000453442041 1030261609 /nfs/dbraw/zinc/26/16/09/1030261609.db2.gz XUWUEKOZGGNXPB-ZDUSSCGKSA-N 2 1 325.294 3.974 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)O1 ZINC000657773920 1030267965 /nfs/dbraw/zinc/26/79/65/1030267965.db2.gz WELVNRVTCAHBCG-IZZBFERCSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453595008 1030353332 /nfs/dbraw/zinc/35/33/32/1030353332.db2.gz JMAKAOOPLXYMCG-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453595399 1030354379 /nfs/dbraw/zinc/35/43/79/1030354379.db2.gz WDFWHZQQLASYIW-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453595399 1030354399 /nfs/dbraw/zinc/35/43/99/1030354399.db2.gz WDFWHZQQLASYIW-LBPRGKRZSA-N 2 1 331.323 3.641 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000447600871 1030355725 /nfs/dbraw/zinc/35/57/25/1030355725.db2.gz NIPIYKUKJKROGL-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447600871 1030355738 /nfs/dbraw/zinc/35/57/38/1030355738.db2.gz NIPIYKUKJKROGL-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447600871 1030355752 /nfs/dbraw/zinc/35/57/52/1030355752.db2.gz NIPIYKUKJKROGL-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447600871 1030355765 /nfs/dbraw/zinc/35/57/65/1030355765.db2.gz NIPIYKUKJKROGL-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447600871 1030355789 /nfs/dbraw/zinc/35/57/89/1030355789.db2.gz NIPIYKUKJKROGL-BVYCBKJFSA-N 2 1 341.543 3.504 20 0 EHADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2ccccc2Cl)n1 ZINC000453601026 1030387464 /nfs/dbraw/zinc/38/74/64/1030387464.db2.gz SSTZIQJNTGWJST-UHFFFAOYSA-N 2 1 346.906 3.705 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000092389210 1030445687 /nfs/dbraw/zinc/44/56/87/1030445687.db2.gz PUUZVASOXBYEMK-AWEZNQCLSA-N 2 1 326.469 3.741 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000482556603 1030530668 /nfs/dbraw/zinc/53/06/68/1030530668.db2.gz ODDJYQIOIXMXOG-PMACEKPBSA-N 2 1 349.950 3.593 20 0 EHADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000532367104 1030579438 /nfs/dbraw/zinc/57/94/38/1030579438.db2.gz GFUYAJUFCLLRKK-QGZVFWFLSA-N 2 1 349.569 3.505 20 0 EHADMP COc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000381461307 1030587396 /nfs/dbraw/zinc/58/73/96/1030587396.db2.gz VWYKCWPBFPJCMG-SFTDATJTSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000381461307 1030587402 /nfs/dbraw/zinc/58/74/02/1030587402.db2.gz VWYKCWPBFPJCMG-SFTDATJTSA-N 2 1 336.479 3.649 20 0 EHADMP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000381461307 1030587409 /nfs/dbraw/zinc/58/74/09/1030587409.db2.gz VWYKCWPBFPJCMG-SFTDATJTSA-N 2 1 336.479 3.649 20 0 EHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892353812 1030599727 /nfs/dbraw/zinc/59/97/27/1030599727.db2.gz DNQQIPNIVAURCH-YQQQUEKLSA-N 2 1 345.556 3.581 20 0 EHADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000550890088 1030767177 /nfs/dbraw/zinc/76/71/77/1030767177.db2.gz DAYOEIQIOSWGGA-GHTZIAJQSA-N 2 1 340.515 3.723 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237527026 1030815092 /nfs/dbraw/zinc/81/50/92/1030815092.db2.gz ZMWYPZMFLPAUCA-CGTJXYLNSA-N 2 1 329.488 3.517 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172201 1030845033 /nfs/dbraw/zinc/84/50/33/1030845033.db2.gz HQHCUGDTPGGZJO-KBXCAEBGSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172201 1030845057 /nfs/dbraw/zinc/84/50/57/1030845057.db2.gz HQHCUGDTPGGZJO-KBXCAEBGSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000668172201 1030845079 /nfs/dbraw/zinc/84/50/79/1030845079.db2.gz HQHCUGDTPGGZJO-KBXCAEBGSA-N 2 1 329.513 3.891 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000668172201 1030845098 /nfs/dbraw/zinc/84/50/98/1030845098.db2.gz HQHCUGDTPGGZJO-KBXCAEBGSA-N 2 1 329.513 3.891 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508788333 1030848436 /nfs/dbraw/zinc/84/84/36/1030848436.db2.gz FHEUFHVEJGHTFT-HJDVLLJCSA-N 2 1 330.516 3.900 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000508788333 1030848462 /nfs/dbraw/zinc/84/84/62/1030848462.db2.gz FHEUFHVEJGHTFT-HJDVLLJCSA-N 2 1 330.516 3.900 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@@H](C)C1 ZINC000527662438 1031087335 /nfs/dbraw/zinc/08/73/35/1031087335.db2.gz QKQRFTCGYJSHII-HOTGVXAUSA-N 2 1 334.495 3.785 20 0 EHADMP C[NH+](C)CC(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551268297 1031181110 /nfs/dbraw/zinc/18/11/10/1031181110.db2.gz VELJBEAKJMKQAC-UHFFFAOYSA-N 3 1 331.548 3.607 20 0 EHADMP CN(C)CC(C)(C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000551268297 1031181117 /nfs/dbraw/zinc/18/11/17/1031181117.db2.gz VELJBEAKJMKQAC-UHFFFAOYSA-N 2 1 331.548 3.607 20 0 EHADMP CN(C)CC(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551268297 1031181127 /nfs/dbraw/zinc/18/11/27/1031181127.db2.gz VELJBEAKJMKQAC-UHFFFAOYSA-N 2 1 331.548 3.607 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3coc(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000483482921 1031189566 /nfs/dbraw/zinc/18/95/66/1031189566.db2.gz DCLMKNLWCRNWHX-QAPCUYQASA-N 2 1 345.874 3.911 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509665 1031197429 /nfs/dbraw/zinc/19/74/29/1031197429.db2.gz YEQRIIFAEHJAKY-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509665 1031197439 /nfs/dbraw/zinc/19/74/39/1031197439.db2.gz YEQRIIFAEHJAKY-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509665 1031197452 /nfs/dbraw/zinc/19/74/52/1031197452.db2.gz YEQRIIFAEHJAKY-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000483509665 1031197461 /nfs/dbraw/zinc/19/74/61/1031197461.db2.gz YEQRIIFAEHJAKY-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP CC[C@@H](C[C@H](C)CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551314327 1031217024 /nfs/dbraw/zinc/21/70/24/1031217024.db2.gz YMRQBBYBBXBIIM-FNOBOGDDSA-N 2 1 332.532 3.816 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549337 1031337290 /nfs/dbraw/zinc/33/72/90/1031337290.db2.gz VQBAGFMWIMTFEO-DQLDELGASA-N 2 1 342.458 3.502 20 0 EHADMP Clc1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666993997 1031413347 /nfs/dbraw/zinc/41/33/47/1031413347.db2.gz ZZRZFFSZEVOQCF-QGZVFWFLSA-N 2 1 334.891 3.893 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)c1OC ZINC000666999557 1031484933 /nfs/dbraw/zinc/48/49/33/1031484933.db2.gz WCSYMEAPLOGYRK-CQSZACIVSA-N 2 1 338.879 3.512 20 0 EHADMP C[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000528010987 1031591474 /nfs/dbraw/zinc/59/14/74/1031591474.db2.gz KXJVHSNDMFWKMT-CZTZKLFOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010987 1031591480 /nfs/dbraw/zinc/59/14/80/1031591480.db2.gz KXJVHSNDMFWKMT-CZTZKLFOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010987 1031591489 /nfs/dbraw/zinc/59/14/89/1031591489.db2.gz KXJVHSNDMFWKMT-CZTZKLFOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528010987 1031591497 /nfs/dbraw/zinc/59/14/97/1031591497.db2.gz KXJVHSNDMFWKMT-CZTZKLFOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528010987 1031591504 /nfs/dbraw/zinc/59/15/04/1031591504.db2.gz KXJVHSNDMFWKMT-CZTZKLFOSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000178241292 1031647578 /nfs/dbraw/zinc/64/75/78/1031647578.db2.gz KRZBNRJHTZQUFV-OXQOHEQNSA-N 2 1 337.467 3.700 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000551790272 1031673876 /nfs/dbraw/zinc/67/38/76/1031673876.db2.gz XZWKJGJKSQLOMA-CDHQVMDDSA-N 2 1 327.472 3.762 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000551965699 1031807197 /nfs/dbraw/zinc/80/71/97/1031807197.db2.gz QKNDPGGUGHOIFD-JOCHJYFZSA-N 2 1 341.543 3.554 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)o1 ZINC000278652415 1031826378 /nfs/dbraw/zinc/82/63/78/1031826378.db2.gz IENRFQDRYUPHFA-UZLBHIALSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484646394 1031839111 /nfs/dbraw/zinc/83/91/11/1031839111.db2.gz XSOQUYHUNSQMSF-UYAOXDASSA-N 2 1 327.472 3.870 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)C1 ZINC000657834806 1031912017 /nfs/dbraw/zinc/91/20/17/1031912017.db2.gz BRALVZCWWUWITB-YLJYHZDGSA-N 2 1 328.500 3.720 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013820 1031973944 /nfs/dbraw/zinc/97/39/44/1031973944.db2.gz ZEQYJHRZXRKCLY-NEPJUHHUSA-N 2 1 331.323 3.811 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013820 1031973956 /nfs/dbraw/zinc/97/39/56/1031973956.db2.gz ZEQYJHRZXRKCLY-NEPJUHHUSA-N 2 1 331.323 3.811 20 0 EHADMP CC(C)C1CCC(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000685457311 1033347817 /nfs/dbraw/zinc/34/78/17/1033347817.db2.gz WGPSGNQVFZEXLZ-GRERDSQWSA-N 2 1 335.580 3.549 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Br)cs3)C2)CC1 ZINC000685462805 1033356863 /nfs/dbraw/zinc/35/68/63/1033356863.db2.gz IJVUTZRIQFDSIV-ZDUSSCGKSA-N 2 1 343.334 3.674 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1OC ZINC000685470323 1033362577 /nfs/dbraw/zinc/36/25/77/1033362577.db2.gz FRWLNWGJAWQMCR-RYRKJORJSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000685470323 1033362581 /nfs/dbraw/zinc/36/25/81/1033362581.db2.gz FRWLNWGJAWQMCR-RYRKJORJSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000685470323 1033362595 /nfs/dbraw/zinc/36/25/95/1033362595.db2.gz FRWLNWGJAWQMCR-RYRKJORJSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000685470323 1033362606 /nfs/dbraw/zinc/36/26/06/1033362606.db2.gz FRWLNWGJAWQMCR-RYRKJORJSA-N 2 1 334.504 3.645 20 0 EHADMP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685470082 1033367489 /nfs/dbraw/zinc/36/74/89/1033367489.db2.gz QTFQYWXTRCWTIN-FQEVSTJZSA-N 2 1 327.472 3.605 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576785 1033447687 /nfs/dbraw/zinc/44/76/87/1033447687.db2.gz VNUQZPKLXOAXHG-CRAIPNDOSA-N 2 1 330.422 3.823 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000708576785 1033447694 /nfs/dbraw/zinc/44/76/94/1033447694.db2.gz VNUQZPKLXOAXHG-CRAIPNDOSA-N 2 1 330.422 3.823 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533366 1033508791 /nfs/dbraw/zinc/50/87/91/1033508791.db2.gz FBZPOXOCHAAWDI-XJKSGUPXSA-N 2 1 325.294 3.832 20 0 EHADMP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000120220525 1033525086 /nfs/dbraw/zinc/52/50/86/1033525086.db2.gz JNZKOMVXHHBREZ-OAQYLSRUSA-N 2 1 346.515 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1 ZINC000595071239 1033646763 /nfs/dbraw/zinc/64/67/63/1033646763.db2.gz QATMGGLVKNFRTO-USRPGEQCSA-N 2 1 345.512 3.521 20 0 EHADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(=O)OC(C)(C)C ZINC000595094824 1033703658 /nfs/dbraw/zinc/70/36/58/1033703658.db2.gz JNZGCVKNOFSNHI-INIZCTEOSA-N 2 1 338.536 3.597 20 0 EHADMP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348151 1033725399 /nfs/dbraw/zinc/72/53/99/1033725399.db2.gz ZFZSDXXXJOETGW-HKUYNNGSSA-N 2 1 329.513 3.624 20 0 EHADMP Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348151 1033725414 /nfs/dbraw/zinc/72/54/14/1033725414.db2.gz ZFZSDXXXJOETGW-HKUYNNGSSA-N 2 1 329.513 3.624 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550621344 1033737008 /nfs/dbraw/zinc/73/70/08/1033737008.db2.gz JLDGLTVVBKTTCZ-UYAOXDASSA-N 2 1 328.431 3.630 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550621344 1033737021 /nfs/dbraw/zinc/73/70/21/1033737021.db2.gz JLDGLTVVBKTTCZ-UYAOXDASSA-N 2 1 328.431 3.630 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988646 1033751599 /nfs/dbraw/zinc/75/15/99/1033751599.db2.gz JCGGTVCIDQQQLL-PKOBYXMFSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574988646 1033751616 /nfs/dbraw/zinc/75/16/16/1033751616.db2.gz JCGGTVCIDQQQLL-PKOBYXMFSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550644643 1033808096 /nfs/dbraw/zinc/80/80/96/1033808096.db2.gz WMSCCXJJWSHIKZ-IZZBFERCSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550644643 1033808103 /nfs/dbraw/zinc/80/81/03/1033808103.db2.gz WMSCCXJJWSHIKZ-IZZBFERCSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550644643 1033808106 /nfs/dbraw/zinc/80/81/06/1033808106.db2.gz WMSCCXJJWSHIKZ-IZZBFERCSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989720 1033812441 /nfs/dbraw/zinc/81/24/41/1033812441.db2.gz LSZDSTQAEFAHJH-DOTOQJQBSA-N 2 1 340.458 3.547 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C(F)F ZINC000657989720 1033812456 /nfs/dbraw/zinc/81/24/56/1033812456.db2.gz LSZDSTQAEFAHJH-DOTOQJQBSA-N 2 1 340.458 3.547 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000669692204 1033843841 /nfs/dbraw/zinc/84/38/41/1033843841.db2.gz GDLCIBJDYAMKGP-SSSWZJSRSA-N 2 1 341.543 3.580 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550700121 1033878442 /nfs/dbraw/zinc/87/84/42/1033878442.db2.gz BSEBJOJEZOEUCF-CEMLEFRQSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550700121 1033878457 /nfs/dbraw/zinc/87/84/57/1033878457.db2.gz BSEBJOJEZOEUCF-CEMLEFRQSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550700121 1033878473 /nfs/dbraw/zinc/87/84/73/1033878473.db2.gz BSEBJOJEZOEUCF-CEMLEFRQSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550700121 1033878488 /nfs/dbraw/zinc/87/84/88/1033878488.db2.gz BSEBJOJEZOEUCF-CEMLEFRQSA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550700121 1033878504 /nfs/dbraw/zinc/87/85/04/1033878504.db2.gz BSEBJOJEZOEUCF-CEMLEFRQSA-N 2 1 343.559 3.780 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000344284258 1033903598 /nfs/dbraw/zinc/90/35/98/1033903598.db2.gz CGNXJVPEIYZBPX-QGZVFWFLSA-N 2 1 335.289 3.678 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145216 1033991954 /nfs/dbraw/zinc/99/19/54/1033991954.db2.gz QGFWEJCNVPHLAW-MGPUTAFESA-N 2 1 344.886 3.757 20 0 EHADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658139101 1034002483 /nfs/dbraw/zinc/00/24/83/1034002483.db2.gz KVGAUJPJMQPZJL-GHTZIAJQSA-N 2 1 338.495 3.721 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000120627723 1034006292 /nfs/dbraw/zinc/00/62/92/1034006292.db2.gz UWONLHHUZYNXHY-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627723 1034006305 /nfs/dbraw/zinc/00/63/05/1034006305.db2.gz UWONLHHUZYNXHY-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627723 1034006323 /nfs/dbraw/zinc/00/63/23/1034006323.db2.gz UWONLHHUZYNXHY-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627723 1034006340 /nfs/dbraw/zinc/00/63/40/1034006340.db2.gz UWONLHHUZYNXHY-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000120627723 1034006358 /nfs/dbraw/zinc/00/63/58/1034006358.db2.gz UWONLHHUZYNXHY-SJLPKXTDSA-N 2 1 326.488 3.649 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1OC ZINC001168323028 1034089365 /nfs/dbraw/zinc/08/93/65/1034089365.db2.gz NMDKBLMUYUCJIB-DAWZGUTISA-N 2 1 332.488 3.714 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529533253 1034118416 /nfs/dbraw/zinc/11/84/16/1034118416.db2.gz KKMDRXKYDNTUGS-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529533253 1034118424 /nfs/dbraw/zinc/11/84/24/1034118424.db2.gz KKMDRXKYDNTUGS-MRXNPFEDSA-N 2 1 327.447 3.742 20 0 EHADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168329756 1034222263 /nfs/dbraw/zinc/22/22/63/1034222263.db2.gz GUDODWNTBDEPLE-UHFFFAOYSA-N 2 1 346.515 3.705 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421822282 1034243345 /nfs/dbraw/zinc/24/33/45/1034243345.db2.gz WQQRVRHUHNVENQ-NRFANRHFSA-N 2 1 337.511 3.959 20 0 EHADMP CCc1ccc2[nH+]ccc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)c2c1 ZINC000450391261 1034249974 /nfs/dbraw/zinc/24/99/74/1034249974.db2.gz NBNKEHBTYWVCJS-QGZVFWFLSA-N 2 1 334.467 3.990 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2c1 ZINC000450430061 1034319466 /nfs/dbraw/zinc/31/94/66/1034319466.db2.gz OVIMSVWIEZNBHD-QRWLVFNGSA-N 2 1 325.456 3.552 20 0 EHADMP CC(C)c1nc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c2ccccn21 ZINC000529670027 1034397081 /nfs/dbraw/zinc/39/70/81/1034397081.db2.gz PRSPJQQTVQOEEJ-KRWDZBQOSA-N 2 1 326.488 3.564 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@H+]2C2CCCC2)c2ccccn21 ZINC000529670027 1034397117 /nfs/dbraw/zinc/39/71/17/1034397117.db2.gz PRSPJQQTVQOEEJ-KRWDZBQOSA-N 2 1 326.488 3.564 20 0 EHADMP c1ccc2c(c1)snc2CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956840 1034422486 /nfs/dbraw/zinc/42/24/86/1034422486.db2.gz NLLSYLRRPZTODI-MRXNPFEDSA-N 2 1 329.513 3.647 20 0 EHADMP c1ccc2c(c1)snc2CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956840 1034422489 /nfs/dbraw/zinc/42/24/89/1034422489.db2.gz NLLSYLRRPZTODI-MRXNPFEDSA-N 2 1 329.513 3.647 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340225077 1034476058 /nfs/dbraw/zinc/47/60/58/1034476058.db2.gz FQMOOZKSIMRLAZ-ZWKOTPCHSA-N 2 1 342.487 3.551 20 0 EHADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340225077 1034476065 /nfs/dbraw/zinc/47/60/65/1034476065.db2.gz FQMOOZKSIMRLAZ-ZWKOTPCHSA-N 2 1 342.487 3.551 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cc1 ZINC000450676817 1034703737 /nfs/dbraw/zinc/70/37/37/1034703737.db2.gz FUJCRAPEEMYHAX-PNLZDCPESA-N 2 1 349.478 3.996 20 0 EHADMP CCC[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1CC[NH2+]CC1 ZINC000647484524 1035044629 /nfs/dbraw/zinc/04/46/29/1035044629.db2.gz WRCBANJZXJFLMU-UHFFFAOYSA-N 2 1 346.906 3.549 20 0 EHADMP CCC[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1CC[NH2+]CC1 ZINC000647484524 1035044636 /nfs/dbraw/zinc/04/46/36/1035044636.db2.gz WRCBANJZXJFLMU-UHFFFAOYSA-N 2 1 346.906 3.549 20 0 EHADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497215 1035338159 /nfs/dbraw/zinc/33/81/59/1035338159.db2.gz AAWJSHZWNQERJK-APWZRJJASA-N 2 1 340.515 3.729 20 0 EHADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497215 1035338168 /nfs/dbraw/zinc/33/81/68/1035338168.db2.gz AAWJSHZWNQERJK-APWZRJJASA-N 2 1 340.515 3.729 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000511416563 1035379039 /nfs/dbraw/zinc/37/90/39/1035379039.db2.gz TWESKFYNMVEGRG-BDHBZSCSSA-N 2 1 328.500 3.841 20 0 EHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001168163791 1035499731 /nfs/dbraw/zinc/49/97/31/1035499731.db2.gz CDDWOGHLYYUXEC-OAHLLOKOSA-N 3 1 339.955 3.746 20 0 EHADMP Cc1nccnc1[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282266618 1035567170 /nfs/dbraw/zinc/56/71/70/1035567170.db2.gz AGWJGTAZVIPGAI-MJGOQNOKSA-N 2 1 338.499 3.736 20 0 EHADMP Cc1nccnc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282266618 1035567179 /nfs/dbraw/zinc/56/71/79/1035567179.db2.gz AGWJGTAZVIPGAI-MJGOQNOKSA-N 2 1 338.499 3.736 20 0 EHADMP Cc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000924574292 1035689681 /nfs/dbraw/zinc/68/96/81/1035689681.db2.gz VGCOVMXARYJRQD-NRFANRHFSA-N 2 1 336.479 3.604 20 0 EHADMP Cc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492518069 1035911174 /nfs/dbraw/zinc/91/11/74/1035911174.db2.gz ZWPFJBOTFRZYEU-PZJWPPBQSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1cccc(OCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492518067 1035911803 /nfs/dbraw/zinc/91/18/03/1035911803.db2.gz ZWPFJBOTFRZYEU-FPOVZHCZSA-N 2 1 338.495 3.874 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177092 1035912097 /nfs/dbraw/zinc/91/20/97/1035912097.db2.gz JNKUYDBYHVCYHB-UONOGXRCSA-N 2 1 325.294 3.832 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064302 1035949143 /nfs/dbraw/zinc/94/91/43/1035949143.db2.gz NHNGCZIPKUUNFW-HNNXBMFYSA-N 2 1 341.902 3.547 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157118 1035993976 /nfs/dbraw/zinc/99/39/76/1035993976.db2.gz DRZITPFKAWRJQL-FQEVSTJZSA-N 2 1 341.543 3.648 20 0 EHADMP C[N@H+](CCCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157118 1035993983 /nfs/dbraw/zinc/99/39/83/1035993983.db2.gz DRZITPFKAWRJQL-FQEVSTJZSA-N 3 1 341.543 3.648 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157118 1035993987 /nfs/dbraw/zinc/99/39/87/1035993987.db2.gz DRZITPFKAWRJQL-FQEVSTJZSA-N 3 1 341.543 3.648 20 0 EHADMP C[NH+](CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157118 1035993991 /nfs/dbraw/zinc/99/39/91/1035993991.db2.gz DRZITPFKAWRJQL-FQEVSTJZSA-N 3 1 341.543 3.648 20 0 EHADMP C[NH+](CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000572157118 1035993998 /nfs/dbraw/zinc/99/39/98/1035993998.db2.gz DRZITPFKAWRJQL-FQEVSTJZSA-N 3 1 341.543 3.648 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000414197541 1036006703 /nfs/dbraw/zinc/00/67/03/1036006703.db2.gz WPAIDVUKRLDJCR-QWHCGFSZSA-N 2 1 330.394 3.810 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414203097 1036042041 /nfs/dbraw/zinc/04/20/41/1036042041.db2.gz ZDKQHSYFOSSUOM-YSFYHYPLSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414203097 1036042058 /nfs/dbraw/zinc/04/20/58/1036042058.db2.gz ZDKQHSYFOSSUOM-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414203097 1036042080 /nfs/dbraw/zinc/04/20/80/1036042080.db2.gz ZDKQHSYFOSSUOM-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203097 1036042101 /nfs/dbraw/zinc/04/21/01/1036042101.db2.gz ZDKQHSYFOSSUOM-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000414203097 1036042119 /nfs/dbraw/zinc/04/21/19/1036042119.db2.gz ZDKQHSYFOSSUOM-YSFYHYPLSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Oc1cccnc1 ZINC000572286242 1036075824 /nfs/dbraw/zinc/07/58/24/1036075824.db2.gz YTIWWVGJXICNOU-NRFANRHFSA-N 2 1 337.467 3.758 20 0 EHADMP COc1cc(C)nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000535287495 1036286734 /nfs/dbraw/zinc/28/67/34/1036286734.db2.gz GMNLJGXQPWMUKO-GOSISDBHSA-N 2 1 345.531 3.875 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168389886 1036378308 /nfs/dbraw/zinc/37/83/08/1036378308.db2.gz XIGDZXACCAXJGF-FQEVSTJZSA-N 2 1 342.527 3.824 20 0 EHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000414276736 1036408482 /nfs/dbraw/zinc/40/84/82/1036408482.db2.gz UNWBZJJSTVFOGK-UHFFFAOYSA-N 2 1 344.478 3.530 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000541545555 1036423484 /nfs/dbraw/zinc/42/34/84/1036423484.db2.gz IMIICFHEBBHFEU-NYUBLWNDSA-N 2 1 330.516 3.822 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000310913538 1036716887 /nfs/dbraw/zinc/71/68/87/1036716887.db2.gz PPYCHXSMFZTARP-GPQLQYNLSA-N 2 1 342.527 3.692 20 0 EHADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000310087760 1036772827 /nfs/dbraw/zinc/77/28/27/1036772827.db2.gz OWCYZQMOEZMDOW-LAUBAEHRSA-N 2 1 340.898 3.919 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000542014636 1036979666 /nfs/dbraw/zinc/97/96/66/1036979666.db2.gz DSABVGVFSFFNIB-HXUWFJFHSA-N 2 1 346.515 3.735 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc4cnccc4c3)C2)cc1 ZINC000310916106 1036985972 /nfs/dbraw/zinc/98/59/72/1036985972.db2.gz QIJACAKARYSEDM-HXUWFJFHSA-N 2 1 331.463 3.847 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000178102853 1036997432 /nfs/dbraw/zinc/99/74/32/1036997432.db2.gz DYUQIPDLIPFRGH-UHFFFAOYSA-N 2 1 346.515 3.994 20 0 EHADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543459 1037092034 /nfs/dbraw/zinc/09/20/34/1037092034.db2.gz NVBQHQGWAFKURM-ROUUACIJSA-N 2 1 345.506 3.638 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000542150680 1037116395 /nfs/dbraw/zinc/11/63/95/1037116395.db2.gz DSCWGLKNSOWUPO-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2cccc(Cl)c2)C1 ZINC000470956090 1037219744 /nfs/dbraw/zinc/21/97/44/1037219744.db2.gz APXWEZPCYKFLIA-QGZVFWFLSA-N 2 1 336.907 3.773 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000470956090 1037219755 /nfs/dbraw/zinc/21/97/55/1037219755.db2.gz APXWEZPCYKFLIA-QGZVFWFLSA-N 2 1 336.907 3.773 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000470956090 1037219771 /nfs/dbraw/zinc/21/97/71/1037219771.db2.gz APXWEZPCYKFLIA-QGZVFWFLSA-N 2 1 336.907 3.773 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001168194149 1037244331 /nfs/dbraw/zinc/24/43/31/1037244331.db2.gz YNPMICYLZGQDOF-JSXRDJHFSA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001168194149 1037244338 /nfs/dbraw/zinc/24/43/38/1037244338.db2.gz YNPMICYLZGQDOF-JSXRDJHFSA-N 2 1 343.559 3.559 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001168194149 1037244345 /nfs/dbraw/zinc/24/43/45/1037244345.db2.gz YNPMICYLZGQDOF-JSXRDJHFSA-N 2 1 343.559 3.559 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532446142 1037304710 /nfs/dbraw/zinc/30/47/10/1037304710.db2.gz WPXMQZAPIPMDQQ-SJORKVTESA-N 2 1 343.515 3.877 20 0 EHADMP CC(C)(C)C1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462726495 1037314822 /nfs/dbraw/zinc/31/48/22/1037314822.db2.gz ITEDWOSSSYUBSV-QETWGEEDSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)(C)C1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462726495 1037314842 /nfs/dbraw/zinc/31/48/42/1037314842.db2.gz ITEDWOSSSYUBSV-QETWGEEDSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C[NH+](C)C ZINC000491593810 1037572784 /nfs/dbraw/zinc/57/27/84/1037572784.db2.gz JSRCYIWFMUIASI-KRWDZBQOSA-N 2 1 342.531 3.516 20 0 EHADMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000573498403 1037589085 /nfs/dbraw/zinc/58/90/85/1037589085.db2.gz DIXHVOBARVUYQL-JTSKRJEESA-N 2 1 336.479 3.603 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540140995 1037594651 /nfs/dbraw/zinc/59/46/51/1037594651.db2.gz VBUIAJCUQGUKFJ-ZWOKBUDYSA-N 2 1 340.515 3.680 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148486 1037606565 /nfs/dbraw/zinc/60/65/65/1037606565.db2.gz PXBZPLWLWXBRIB-IRXDYDNUSA-N 2 1 335.511 3.910 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148486 1037606573 /nfs/dbraw/zinc/60/65/73/1037606573.db2.gz PXBZPLWLWXBRIB-IRXDYDNUSA-N 2 1 335.511 3.910 20 0 EHADMP COC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942432 1037734990 /nfs/dbraw/zinc/73/49/90/1037734990.db2.gz ANCYQIKHGMHRPM-SJORKVTESA-N 2 1 326.912 3.984 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463074060 1037738157 /nfs/dbraw/zinc/73/81/57/1037738157.db2.gz OIOARVYCOIAIJT-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463074060 1037738171 /nfs/dbraw/zinc/73/81/71/1037738171.db2.gz OIOARVYCOIAIJT-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463074060 1037738189 /nfs/dbraw/zinc/73/81/89/1037738189.db2.gz OIOARVYCOIAIJT-DYQZNNLLSA-N 2 1 343.559 3.750 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493968046 1037750274 /nfs/dbraw/zinc/75/02/74/1037750274.db2.gz IQQIOHYQUQUWON-OAHLLOKOSA-N 2 1 334.261 3.540 20 0 EHADMP Cc1nc2ccc(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000494015591 1037777659 /nfs/dbraw/zinc/77/76/59/1037777659.db2.gz GGKCYHKUFJOEKB-GASCZTMLSA-N 2 1 347.528 3.584 20 0 EHADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000463136875 1037800605 /nfs/dbraw/zinc/80/06/05/1037800605.db2.gz HTAQXIUKMMIWCO-CEWLAPEOSA-N 2 1 331.548 3.605 20 0 EHADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463140167 1037803803 /nfs/dbraw/zinc/80/38/03/1037803803.db2.gz VFBWHSBTMAHHDZ-CTNGQTDRSA-N 2 1 329.532 3.505 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000271433860 1037890472 /nfs/dbraw/zinc/89/04/72/1037890472.db2.gz CJHHNBSIQFRVSR-KKSFZXQISA-N 2 1 342.458 3.502 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC1CCOCC1 ZINC000463228243 1037904629 /nfs/dbraw/zinc/90/46/29/1037904629.db2.gz AZNIUGFWAZYYPR-NGRWLJPCSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463272345 1037976649 /nfs/dbraw/zinc/97/66/49/1037976649.db2.gz PGTKUIGMSYTLAK-COPCDDAFSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463272345 1037976680 /nfs/dbraw/zinc/97/66/80/1037976680.db2.gz PGTKUIGMSYTLAK-COPCDDAFSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000463273250 1037977774 /nfs/dbraw/zinc/97/77/74/1037977774.db2.gz ZEYBEUVLWXUJTO-KCZVDYSFSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000125201976 1038292273 /nfs/dbraw/zinc/29/22/73/1038292273.db2.gz DYVIRJNYZLTTAW-JXFKEZNVSA-N 2 1 338.499 3.613 20 0 EHADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463129437 1038422621 /nfs/dbraw/zinc/42/26/21/1038422621.db2.gz CBTSXRZGBYLYPD-TZIWHRDSSA-N 2 1 331.548 3.748 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cn(C)cn1 ZINC000924680276 1038631122 /nfs/dbraw/zinc/63/11/22/1038631122.db2.gz PPGQYSNWPBVHBB-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cn(C)cn1 ZINC000924680276 1038631126 /nfs/dbraw/zinc/63/11/26/1038631126.db2.gz PPGQYSNWPBVHBB-SJORKVTESA-N 2 1 326.488 3.503 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@H](C)C1 ZINC000539063422 1038662395 /nfs/dbraw/zinc/66/23/95/1038662395.db2.gz DVVZPKVQZMEIQD-WIYYLYMNSA-N 2 1 344.543 3.518 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000539075008 1038671392 /nfs/dbraw/zinc/67/13/92/1038671392.db2.gz NYJFYZCYFOVDPF-YLJYHZDGSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000539075007 1038671487 /nfs/dbraw/zinc/67/14/87/1038671487.db2.gz NYJFYZCYFOVDPF-XLIONFOSSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378547216 1038713651 /nfs/dbraw/zinc/71/36/51/1038713651.db2.gz GMTGWTFJZQCFKY-JYBIWHBTSA-N 2 1 342.483 3.592 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCc4ccccc4C3)CCCC2)CC1 ZINC000462109294 1038758064 /nfs/dbraw/zinc/75/80/64/1038758064.db2.gz KNJYWHJREKSOLC-FQEVSTJZSA-N 2 1 342.527 3.557 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916655 1038895950 /nfs/dbraw/zinc/89/59/50/1038895950.db2.gz SIWFEMQCRZKJRD-OALUTQOASA-N 3 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916655 1038895983 /nfs/dbraw/zinc/89/59/83/1038895983.db2.gz SIWFEMQCRZKJRD-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479916655 1038896006 /nfs/dbraw/zinc/89/60/06/1038896006.db2.gz SIWFEMQCRZKJRD-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552048492 1038916547 /nfs/dbraw/zinc/91/65/47/1038916547.db2.gz UYUSEIAYYGPZEB-JRRMTSHWSA-N 3 1 343.559 3.892 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000477911484 1039015786 /nfs/dbraw/zinc/01/57/86/1039015786.db2.gz HSLXNMMFIQFRQK-UYAOXDASSA-N 3 1 335.580 3.741 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512433489 1039121972 /nfs/dbraw/zinc/12/19/72/1039121972.db2.gz MADGTHITQDGWSX-UHFFFAOYSA-N 2 1 328.378 3.645 20 0 EHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000488408711 1039144256 /nfs/dbraw/zinc/14/42/56/1039144256.db2.gz UTVPYBOEMLSWQQ-UHFFFAOYSA-N 2 1 346.515 3.842 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000480080760 1039149326 /nfs/dbraw/zinc/14/93/26/1039149326.db2.gz AKAYZEQGXKQCKK-WIYYLYMNSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000480080760 1039149333 /nfs/dbraw/zinc/14/93/33/1039149333.db2.gz AKAYZEQGXKQCKK-WIYYLYMNSA-N 2 1 338.495 3.738 20 0 EHADMP CCCC(O)(CCC)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000152033784 1039168958 /nfs/dbraw/zinc/16/89/58/1039168958.db2.gz UBANFOZJSQFAOE-UHFFFAOYSA-N 2 1 332.532 3.614 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCOCC1 ZINC000898520020 1039191675 /nfs/dbraw/zinc/19/16/75/1039191675.db2.gz SMRGZSQODKNGLU-HLRQEUIKSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512450026 1039194752 /nfs/dbraw/zinc/19/47/52/1039194752.db2.gz NUFBHZKXQYPKSC-REWPJTCUSA-N 2 1 349.522 3.640 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000480175258 1039263158 /nfs/dbraw/zinc/26/31/58/1039263158.db2.gz BDVNKYCFITVIMA-KRWDZBQOSA-N 2 1 348.535 3.941 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000480175258 1039263173 /nfs/dbraw/zinc/26/31/73/1039263173.db2.gz BDVNKYCFITVIMA-KRWDZBQOSA-N 2 1 348.535 3.941 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000552437244 1039283442 /nfs/dbraw/zinc/28/34/42/1039283442.db2.gz RULDMQGSCSBXRB-XJKSGUPXSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000552437244 1039283454 /nfs/dbraw/zinc/28/34/54/1039283454.db2.gz RULDMQGSCSBXRB-XJKSGUPXSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000552437244 1039283459 /nfs/dbraw/zinc/28/34/59/1039283459.db2.gz RULDMQGSCSBXRB-XJKSGUPXSA-N 2 1 328.859 3.520 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCCC[NH2+]3)nc2)cc1 ZINC000906159632 1039329177 /nfs/dbraw/zinc/32/91/77/1039329177.db2.gz UNKCGHTVYGKAEN-OXJNMPFZSA-N 2 1 336.483 3.943 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000118982758 1039659869 /nfs/dbraw/zinc/65/98/69/1039659869.db2.gz WDWMAMOLAMVWNG-RQXATKFSSA-N 2 1 342.527 3.833 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000118982758 1039659880 /nfs/dbraw/zinc/65/98/80/1039659880.db2.gz WDWMAMOLAMVWNG-RQXATKFSSA-N 2 1 342.527 3.833 20 0 EHADMP CCOC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001142599438 1039663636 /nfs/dbraw/zinc/66/36/36/1039663636.db2.gz ILYGKGHYVWNNIR-PMACEKPBSA-N 2 1 344.499 3.702 20 0 EHADMP CCOC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001142599438 1039663646 /nfs/dbraw/zinc/66/36/46/1039663646.db2.gz ILYGKGHYVWNNIR-PMACEKPBSA-N 2 1 344.499 3.702 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000480563907 1039700112 /nfs/dbraw/zinc/70/01/12/1039700112.db2.gz OEULPRFZGXFXCQ-HOJAQTOUSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000480563907 1039700117 /nfs/dbraw/zinc/70/01/17/1039700117.db2.gz OEULPRFZGXFXCQ-HOJAQTOUSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563907 1039700122 /nfs/dbraw/zinc/70/01/22/1039700122.db2.gz OEULPRFZGXFXCQ-HOJAQTOUSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563907 1039700130 /nfs/dbraw/zinc/70/01/30/1039700130.db2.gz OEULPRFZGXFXCQ-HOJAQTOUSA-N 2 1 330.516 3.929 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCOC1 ZINC000480601122 1039734442 /nfs/dbraw/zinc/73/44/42/1039734442.db2.gz NPEIEGRAHJBRER-QMMLZNLJSA-N 2 1 330.516 3.966 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000480630117 1039805594 /nfs/dbraw/zinc/80/55/94/1039805594.db2.gz HQTILCROMLWIPT-IRXDYDNUSA-N 2 1 334.504 3.867 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489555821 1040071663 /nfs/dbraw/zinc/07/16/63/1040071663.db2.gz IYEJNMJKTMWKFY-VXGBXAGGSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562782 1040088556 /nfs/dbraw/zinc/08/85/56/1040088556.db2.gz VZRRYJPDUZFHER-OXQOHEQNSA-N 2 1 328.500 3.711 20 0 EHADMP C[C@@H]1C[C@H](CCNC(=[NH2+])N2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512584755 1040204235 /nfs/dbraw/zinc/20/42/35/1040204235.db2.gz YOUPJLKPTAWQOI-QUCCMNQESA-N 2 1 342.531 3.543 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465774 1040265296 /nfs/dbraw/zinc/26/52/96/1040265296.db2.gz PUAGHQDSKBMMAO-IEBWSBKVSA-N 2 1 336.479 3.890 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000479473620 1040271541 /nfs/dbraw/zinc/27/15/41/1040271541.db2.gz GISDUSICZRCXAU-ZLGUVYLKSA-N 2 1 348.506 3.930 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000481028700 1040288026 /nfs/dbraw/zinc/28/80/26/1040288026.db2.gz YAUHQWIWKQLJLO-GOSISDBHSA-N 2 1 335.580 3.884 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000481040216 1040302945 /nfs/dbraw/zinc/30/29/45/1040302945.db2.gz SGVARUHPHRZBEY-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000481038423 1040304601 /nfs/dbraw/zinc/30/46/01/1040304601.db2.gz NNUNMTPMCWRFLH-SUMWQHHRSA-N 2 1 342.405 3.894 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512627098 1040326007 /nfs/dbraw/zinc/32/60/07/1040326007.db2.gz ZYVMMTRDFADDPE-CDJZJNNCSA-N 2 1 342.527 3.692 20 0 EHADMP COCC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000490151828 1040357437 /nfs/dbraw/zinc/35/74/37/1040357437.db2.gz SKTHYZCZUPVPDX-OAQYLSRUSA-N 2 1 326.484 3.642 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000490151828 1040357451 /nfs/dbraw/zinc/35/74/51/1040357451.db2.gz SKTHYZCZUPVPDX-OAQYLSRUSA-N 2 1 326.484 3.642 20 0 EHADMP Fc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667533228 1040503954 /nfs/dbraw/zinc/50/39/54/1040503954.db2.gz KNYAHJSOLIJORI-IBGZPJMESA-N 2 1 336.414 3.614 20 0 EHADMP Fc1ccc(C(F)(F)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000668710614 1040561370 /nfs/dbraw/zinc/56/13/70/1040561370.db2.gz MJYGABKYNUOYKS-UHFFFAOYSA-N 2 1 335.373 3.571 20 0 EHADMP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988612 1040624860 /nfs/dbraw/zinc/62/48/60/1040624860.db2.gz QECGLOAECNSUKM-HVTRQVLWSA-N 2 1 327.497 3.658 20 0 EHADMP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988612 1040624870 /nfs/dbraw/zinc/62/48/70/1040624870.db2.gz QECGLOAECNSUKM-HVTRQVLWSA-N 2 1 327.497 3.658 20 0 EHADMP COc1cccc(C2(F)CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000500172313 1040663153 /nfs/dbraw/zinc/66/31/53/1040663153.db2.gz QAMAOJMWPWIYLU-SFHVURJKSA-N 2 1 334.479 3.830 20 0 EHADMP COc1cccc(C2(F)CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000500172313 1040663160 /nfs/dbraw/zinc/66/31/60/1040663160.db2.gz QAMAOJMWPWIYLU-SFHVURJKSA-N 2 1 334.479 3.830 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000481330432 1040696435 /nfs/dbraw/zinc/69/64/35/1040696435.db2.gz DNWUUBYLZJFGRY-KGLIPLIRSA-N 2 1 340.895 3.740 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491056300 1040895209 /nfs/dbraw/zinc/89/52/09/1040895209.db2.gz IVQITOKPDSTRRS-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491056300 1040895218 /nfs/dbraw/zinc/89/52/18/1040895218.db2.gz IVQITOKPDSTRRS-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP Fc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058852 1040897575 /nfs/dbraw/zinc/89/75/75/1040897575.db2.gz HVUUXYWXEHFJRZ-GOSISDBHSA-N 2 1 334.479 3.793 20 0 EHADMP Fc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058852 1040897589 /nfs/dbraw/zinc/89/75/89/1040897589.db2.gz HVUUXYWXEHFJRZ-GOSISDBHSA-N 2 1 334.479 3.793 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000659854144 1040937205 /nfs/dbraw/zinc/93/72/05/1040937205.db2.gz XNJHXBDCSUBFMU-UHFFFAOYSA-N 2 1 330.394 3.591 20 0 EHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000390562756 1041013957 /nfs/dbraw/zinc/01/39/57/1041013957.db2.gz MUKYUYPSBCWHKR-XICAJGIJSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060494 1041231497 /nfs/dbraw/zinc/23/14/97/1041231497.db2.gz FTGFAIJRANQTKO-ZWKOTPCHSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060494 1041231516 /nfs/dbraw/zinc/23/15/16/1041231516.db2.gz FTGFAIJRANQTKO-ZWKOTPCHSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060494 1041231533 /nfs/dbraw/zinc/23/15/33/1041231533.db2.gz FTGFAIJRANQTKO-ZWKOTPCHSA-N 2 1 338.536 3.695 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168185787 1041261279 /nfs/dbraw/zinc/26/12/79/1041261279.db2.gz YJRLMQFOJQNDPO-UHFFFAOYSA-N 2 1 330.394 3.781 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000512965059 1041307252 /nfs/dbraw/zinc/30/72/52/1041307252.db2.gz YQNQOSVLGAXUCN-PKOBYXMFSA-N 2 1 346.515 3.751 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000512965059 1041307267 /nfs/dbraw/zinc/30/72/67/1041307267.db2.gz YQNQOSVLGAXUCN-PKOBYXMFSA-N 2 1 346.515 3.751 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651646569 1041844320 /nfs/dbraw/zinc/84/43/20/1041844320.db2.gz ITVZNQXLNZJFIY-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000040227346 1042120698 /nfs/dbraw/zinc/12/06/98/1042120698.db2.gz PBVHVXISMXUQCJ-KRWDZBQOSA-N 2 1 335.289 3.653 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000652222473 1042279243 /nfs/dbraw/zinc/27/92/43/1042279243.db2.gz PFXLQAQCSIGEAX-GOSISDBHSA-N 2 1 331.529 3.994 20 0 EHADMP CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000652339172 1042392149 /nfs/dbraw/zinc/39/21/49/1042392149.db2.gz GBANBWOCNOTWPZ-JOCHJYFZSA-N 2 1 335.495 3.735 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999337 1042454266 /nfs/dbraw/zinc/45/42/66/1042454266.db2.gz UHHUTDGYLGLYCN-GHOZHQTGSA-N 2 1 348.506 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC(F)CC1 ZINC000661999337 1042454269 /nfs/dbraw/zinc/45/42/69/1042454269.db2.gz UHHUTDGYLGLYCN-GHOZHQTGSA-N 2 1 348.506 3.784 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245589 1042629706 /nfs/dbraw/zinc/62/97/06/1042629706.db2.gz NPOWVJXLYHSLHJ-RYUDHWBXSA-N 2 1 337.261 3.755 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245589 1042629708 /nfs/dbraw/zinc/62/97/08/1042629708.db2.gz NPOWVJXLYHSLHJ-RYUDHWBXSA-N 2 1 337.261 3.755 20 0 EHADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cc2ccccc2o1 ZINC000662254425 1042638367 /nfs/dbraw/zinc/63/83/67/1042638367.db2.gz QOKXOLJAXMMQCY-RDJZCZTQSA-N 2 1 328.456 3.727 20 0 EHADMP C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662260589 1042640226 /nfs/dbraw/zinc/64/02/26/1042640226.db2.gz NATGNLZWWUZNPB-UHFFFAOYSA-N 2 1 335.495 3.565 20 0 EHADMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000662258360 1042641766 /nfs/dbraw/zinc/64/17/66/1042641766.db2.gz ZRENQLKFBYZBBU-JTSKRJEESA-N 2 1 336.479 3.603 20 0 EHADMP c1csc(-c2cnc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662294584 1042664080 /nfs/dbraw/zinc/66/40/80/1042664080.db2.gz QZQHUHQYOAFBJL-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)[C@@H]1CCC[NH3+] ZINC000662313577 1042682138 /nfs/dbraw/zinc/68/21/38/1042682138.db2.gz IUQQOVJBDJRASI-DGCLKSJQSA-N 2 1 331.323 3.850 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000221911477 1042702559 /nfs/dbraw/zinc/70/25/59/1042702559.db2.gz IQDKBELRURLWCE-LBPRGKRZSA-N 2 1 331.273 3.969 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000221911477 1042702564 /nfs/dbraw/zinc/70/25/64/1042702564.db2.gz IQDKBELRURLWCE-LBPRGKRZSA-N 2 1 331.273 3.969 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4c3cccc4C)CC2)nc(C)[nH+]1 ZINC000162233791 1042716617 /nfs/dbraw/zinc/71/66/17/1042716617.db2.gz SQEUCGDMLBPZSO-HXUWFJFHSA-N 2 1 336.483 3.648 20 0 EHADMP CC(C)[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000511979462 1042825533 /nfs/dbraw/zinc/82/55/33/1042825533.db2.gz WQGTVMXTMVPCAB-KRWDZBQOSA-N 2 1 331.529 3.809 20 0 EHADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464074 1042886472 /nfs/dbraw/zinc/88/64/72/1042886472.db2.gz BWBJZVSOLZSVNM-PKOBYXMFSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464074 1042886477 /nfs/dbraw/zinc/88/64/77/1042886477.db2.gz BWBJZVSOLZSVNM-PKOBYXMFSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1-c1ccccc1 ZINC000663464074 1042886482 /nfs/dbraw/zinc/88/64/82/1042886482.db2.gz BWBJZVSOLZSVNM-PKOBYXMFSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(OC(F)(F)F)c1 ZINC000278906666 1042902502 /nfs/dbraw/zinc/90/25/02/1042902502.db2.gz GHJMBRLWQWCLEU-STQMWFEESA-N 2 1 339.361 3.695 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001167827861 1042975115 /nfs/dbraw/zinc/97/51/15/1042975115.db2.gz YPYOVJKNOYENNU-RDJZCZTQSA-N 2 1 340.458 3.928 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000278933260 1042986403 /nfs/dbraw/zinc/98/64/03/1042986403.db2.gz JJOULZCJTIZGDE-CJNGLKHVSA-N 2 1 348.288 3.949 20 0 EHADMP CCCc1noc([C@@H]2CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)n1 ZINC001167836584 1043042473 /nfs/dbraw/zinc/04/24/73/1043042473.db2.gz FJKAOKHXGMMHHT-IAGOWNOFSA-N 2 1 336.524 3.712 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)c2C1 ZINC000166719889 1043078503 /nfs/dbraw/zinc/07/85/03/1043078503.db2.gz IKTDFGIJGGGGAI-YWZLYKJASA-N 2 1 337.467 3.687 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)c2C1 ZINC000166719889 1043078511 /nfs/dbraw/zinc/07/85/11/1043078511.db2.gz IKTDFGIJGGGGAI-YWZLYKJASA-N 2 1 337.467 3.687 20 0 EHADMP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)oc21 ZINC000278963676 1043095248 /nfs/dbraw/zinc/09/52/48/1043095248.db2.gz MRGAUSZQJIPPKT-GJZGRUSLSA-N 2 1 339.439 3.941 20 0 EHADMP Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278982183 1043122767 /nfs/dbraw/zinc/12/27/67/1043122767.db2.gz PAHBUAAYGKJMLC-XJKSGUPXSA-N 2 1 331.847 3.602 20 0 EHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432417079 1043141420 /nfs/dbraw/zinc/14/14/20/1043141420.db2.gz KGGPORKTMIERIZ-AZUAARDMSA-N 2 1 346.515 3.608 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419427 1043153218 /nfs/dbraw/zinc/15/32/18/1043153218.db2.gz BTGGWRAHQVKSAC-OALUTQOASA-N 2 1 332.532 3.833 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419427 1043153225 /nfs/dbraw/zinc/15/32/25/1043153225.db2.gz BTGGWRAHQVKSAC-OALUTQOASA-N 2 1 332.532 3.833 20 0 EHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432425520 1043175198 /nfs/dbraw/zinc/17/51/98/1043175198.db2.gz NAOMOVPFDYKZCJ-MSOLQXFVSA-N 2 1 334.504 3.625 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000162723092 1043771423 /nfs/dbraw/zinc/77/14/23/1043771423.db2.gz GHWZDBRRNXJEGS-UHFFFAOYSA-N 2 1 337.471 3.728 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000162845396 1043802442 /nfs/dbraw/zinc/80/24/42/1043802442.db2.gz ZQFJTDBAXFXKMA-UHFFFAOYSA-N 2 1 337.471 3.728 20 0 EHADMP CCOc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279507516 1044150968 /nfs/dbraw/zinc/15/09/68/1044150968.db2.gz WVRUJMYEENUEIK-UHFFFAOYSA-N 2 1 339.483 3.998 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212177 1044163051 /nfs/dbraw/zinc/16/30/51/1044163051.db2.gz KFAJURQCGGRVKO-RTBURBONSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212177 1044163055 /nfs/dbraw/zinc/16/30/55/1044163055.db2.gz KFAJURQCGGRVKO-RTBURBONSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000512212177 1044163066 /nfs/dbraw/zinc/16/30/66/1044163066.db2.gz KFAJURQCGGRVKO-RTBURBONSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000512212177 1044163086 /nfs/dbraw/zinc/16/30/86/1044163086.db2.gz KFAJURQCGGRVKO-RTBURBONSA-N 2 1 329.532 3.839 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344680533 1044282115 /nfs/dbraw/zinc/28/21/15/1044282115.db2.gz NUARUHMJLCBULF-GUYCJALGSA-N 2 1 346.906 3.715 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1N(C)C ZINC000348962761 1044437174 /nfs/dbraw/zinc/43/71/74/1044437174.db2.gz HTBGWKMNBGPMIN-UHFFFAOYSA-N 2 1 325.500 3.836 20 0 EHADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000261551965 1044454737 /nfs/dbraw/zinc/45/47/37/1044454737.db2.gz FYEMEGRPPATHDB-FDFHNCONSA-N 2 1 341.543 3.551 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCCO4)[C@@H]3C2)cc1 ZINC000512297689 1044562520 /nfs/dbraw/zinc/56/25/20/1044562520.db2.gz ZXOPCKLLCMJFES-CBPXPLCBSA-N 2 1 342.527 3.836 20 0 EHADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000153773629 1125658833 /nfs/dbraw/zinc/65/88/33/1125658833.db2.gz RAGQSBIHVUXTNR-OAHLLOKOSA-N 2 1 347.528 3.737 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000153773629 1125658836 /nfs/dbraw/zinc/65/88/36/1125658836.db2.gz RAGQSBIHVUXTNR-OAHLLOKOSA-N 2 1 347.528 3.737 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000267528376 1125732992 /nfs/dbraw/zinc/73/29/92/1125732992.db2.gz QWGITGQTHUIQQX-STZQEDGTSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000267528376 1125733000 /nfs/dbraw/zinc/73/30/00/1125733000.db2.gz QWGITGQTHUIQQX-STZQEDGTSA-N 2 1 338.495 3.537 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000671301847 1126888793 /nfs/dbraw/zinc/88/87/93/1126888793.db2.gz QKUFZULGKSMFOJ-UWJYYQICSA-N 2 1 348.494 3.748 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000671301847 1126888796 /nfs/dbraw/zinc/88/87/96/1126888796.db2.gz QKUFZULGKSMFOJ-UWJYYQICSA-N 2 1 348.494 3.748 20 0 EHADMP CCOc1cc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OC(F)F ZINC000623362019 1126930303 /nfs/dbraw/zinc/93/03/03/1126930303.db2.gz BRFQSBDVPGGPEG-CQSZACIVSA-N 2 1 342.430 3.649 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC(F)F ZINC000623362019 1126930304 /nfs/dbraw/zinc/93/03/04/1126930304.db2.gz BRFQSBDVPGGPEG-CQSZACIVSA-N 2 1 342.430 3.649 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)nc2)CC1(C)C ZINC000623361810 1126930511 /nfs/dbraw/zinc/93/05/11/1126930511.db2.gz QNVLXYKSOZJMGH-QGZVFWFLSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1(C)C ZINC000623361810 1126930514 /nfs/dbraw/zinc/93/05/14/1126930514.db2.gz QNVLXYKSOZJMGH-QGZVFWFLSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1(C)C ZINC000623361810 1126930517 /nfs/dbraw/zinc/93/05/17/1126930517.db2.gz QNVLXYKSOZJMGH-QGZVFWFLSA-N 2 1 343.446 3.975 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623369827 1126932463 /nfs/dbraw/zinc/93/24/63/1126932463.db2.gz SNEFUDKWWPRMLC-MAUKXSAKSA-N 2 1 331.504 3.634 20 0 EHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623369827 1126932466 /nfs/dbraw/zinc/93/24/66/1126932466.db2.gz SNEFUDKWWPRMLC-MAUKXSAKSA-N 2 1 331.504 3.634 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1(C)C ZINC000623387417 1126940231 /nfs/dbraw/zinc/94/02/31/1126940231.db2.gz BPHSSLSINOKJIQ-QGZVFWFLSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1(C)C ZINC000623387417 1126940232 /nfs/dbraw/zinc/94/02/32/1126940232.db2.gz BPHSSLSINOKJIQ-QGZVFWFLSA-N 2 1 325.456 3.836 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(Oc3cccc(F)c3)nc2)CC1(C)C ZINC000623387851 1126941573 /nfs/dbraw/zinc/94/15/73/1126941573.db2.gz YTXPPVUOUVXKLX-KRWDZBQOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1(C)C ZINC000623387851 1126941576 /nfs/dbraw/zinc/94/15/76/1126941576.db2.gz YTXPPVUOUVXKLX-KRWDZBQOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1(C)C ZINC000623387851 1126941578 /nfs/dbraw/zinc/94/15/78/1126941578.db2.gz YTXPPVUOUVXKLX-KRWDZBQOSA-N 2 1 343.446 3.975 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623418542 1126950437 /nfs/dbraw/zinc/95/04/37/1126950437.db2.gz UVSZCMYWOBOLIQ-INIZCTEOSA-N 2 1 344.528 3.600 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)N[C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623470167 1126962276 /nfs/dbraw/zinc/96/22/76/1126962276.db2.gz BPKVPASTRMNZSM-AZUAARDMSA-N 2 1 340.515 3.704 20 0 EHADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476237 1126963694 /nfs/dbraw/zinc/96/36/94/1126963694.db2.gz UHUPUELOWPFPCW-OKZBNKHCSA-N 2 1 335.923 3.548 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000670272098 1126980236 /nfs/dbraw/zinc/98/02/36/1126980236.db2.gz BWFOJGGVVAJTOY-HXUWFJFHSA-N 2 1 336.414 3.646 20 0 EHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178037076 1127005017 /nfs/dbraw/zinc/00/50/17/1127005017.db2.gz SFBSUULTTTZEGR-OKZBNKHCSA-N 2 1 336.495 3.626 20 0 EHADMP COc1ccc(-c2nc(CNC[C@H]3CCCC[N@@H+](C)C3)cs2)cc1 ZINC000623656548 1127005912 /nfs/dbraw/zinc/00/59/12/1127005912.db2.gz WRHGQDLFVIHEJG-OAHLLOKOSA-N 2 1 345.512 3.640 20 0 EHADMP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623893673 1127207754 /nfs/dbraw/zinc/20/77/54/1127207754.db2.gz YNTBYAKXTVCLSV-TZIWHRDSSA-N 2 1 330.516 3.631 20 0 EHADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)sc1C ZINC000623888624 1127210617 /nfs/dbraw/zinc/21/06/17/1127210617.db2.gz NSLQHHBAAUNDJM-LJQANCHMSA-N 2 1 337.577 3.823 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123693 1127256492 /nfs/dbraw/zinc/25/64/92/1127256492.db2.gz QQLRMGTZYGFSTJ-SQGPQFPESA-N 2 1 334.479 3.615 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCCS2 ZINC000624123638 1127256692 /nfs/dbraw/zinc/25/66/92/1127256692.db2.gz PRMHGPZOBGYMBR-MAUKXSAKSA-N 2 1 334.529 3.944 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624124159 1127257679 /nfs/dbraw/zinc/25/76/79/1127257679.db2.gz YQAOPGACAHMZIR-ZACQAIPSSA-N 2 1 334.504 3.517 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)[NH+]1CCCCC1 ZINC000184496776 1127406526 /nfs/dbraw/zinc/40/65/26/1127406526.db2.gz XOAWLTDEBSJLJR-ROUUACIJSA-N 2 1 343.515 3.729 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298320 1127460764 /nfs/dbraw/zinc/46/07/64/1127460764.db2.gz OWHRXZZDRDUJLT-QZTJIDSGSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnn(-c2ccccc2)c1 ZINC000325298320 1127460765 /nfs/dbraw/zinc/46/07/65/1127460765.db2.gz OWHRXZZDRDUJLT-QZTJIDSGSA-N 2 1 326.488 3.787 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000382828802 1127522785 /nfs/dbraw/zinc/52/27/85/1127522785.db2.gz AOIYZZCHUZLPNU-XMSQKQJNSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765356821 1127601322 /nfs/dbraw/zinc/60/13/22/1127601322.db2.gz UUXBFDONORYBFJ-OAHLLOKOSA-N 2 1 345.487 3.557 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921528465 1127669783 /nfs/dbraw/zinc/66/97/83/1127669783.db2.gz UWPUBYQYKKISRN-DZFGPLHGSA-N 2 1 330.516 3.822 20 0 EHADMP CCC[NH+]1CCC(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000386497694 1127686349 /nfs/dbraw/zinc/68/63/49/1127686349.db2.gz YOXMLPHJJYBEJA-OAQYLSRUSA-N 2 1 343.559 3.753 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000386497694 1127686351 /nfs/dbraw/zinc/68/63/51/1127686351.db2.gz YOXMLPHJJYBEJA-OAQYLSRUSA-N 3 1 343.559 3.753 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000386497694 1127686354 /nfs/dbraw/zinc/68/63/54/1127686354.db2.gz YOXMLPHJJYBEJA-OAQYLSRUSA-N 3 1 343.559 3.753 20 0 EHADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000386610189 1127705280 /nfs/dbraw/zinc/70/52/80/1127705280.db2.gz MMHRRIPVEQKYTO-APWZRJJASA-N 2 1 342.458 3.835 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000166562891 1128077540 /nfs/dbraw/zinc/07/75/40/1128077540.db2.gz OPOUGFQVHHWFSO-QXAKKESOSA-N 2 1 331.504 3.611 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000166562891 1128077544 /nfs/dbraw/zinc/07/75/44/1128077544.db2.gz OPOUGFQVHHWFSO-QXAKKESOSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741356 1128177741 /nfs/dbraw/zinc/17/77/41/1128177741.db2.gz DEYOQFDPRWDYIW-OWCLPIDISA-N 2 1 345.487 3.942 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741452 1128178014 /nfs/dbraw/zinc/17/80/14/1128178014.db2.gz SAJHFOSXGFERSX-LSDHHAIUSA-N 2 1 331.460 3.839 20 0 EHADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764419 1128252407 /nfs/dbraw/zinc/25/24/07/1128252407.db2.gz DMYVVSZRXAFOKG-HSALFYBXSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764419 1128252410 /nfs/dbraw/zinc/25/24/10/1128252410.db2.gz DMYVVSZRXAFOKG-HSALFYBXSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764419 1128252413 /nfs/dbraw/zinc/25/24/13/1128252413.db2.gz DMYVVSZRXAFOKG-HSALFYBXSA-N 2 1 349.950 3.939 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623656379 1128450252 /nfs/dbraw/zinc/45/02/52/1128450252.db2.gz SYAZZLTVVDTMMS-FUHWJXTLSA-N 2 1 334.504 3.694 20 0 EHADMP COc1ccc2c(c1Cl)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000903066402 1128455085 /nfs/dbraw/zinc/45/50/85/1128455085.db2.gz MDYXEZMDZIPCES-CZUORRHYSA-N 2 1 334.891 3.800 20 0 EHADMP COc1ccc2c(c1Cl)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000903066402 1128455086 /nfs/dbraw/zinc/45/50/86/1128455086.db2.gz MDYXEZMDZIPCES-CZUORRHYSA-N 2 1 334.891 3.800 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168620145 1128471618 /nfs/dbraw/zinc/47/16/18/1128471618.db2.gz ZZWMSHPBMPQXHZ-XCJLJZCSSA-N 2 1 346.515 3.896 20 0 EHADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623071 1128477880 /nfs/dbraw/zinc/47/78/80/1128477880.db2.gz RDVUBBLAGMVSKK-MSOLQXFVSA-N 2 1 338.923 3.862 20 0 EHADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1)C1CC1 ZINC001168623071 1128477882 /nfs/dbraw/zinc/47/78/82/1128477882.db2.gz RDVUBBLAGMVSKK-MSOLQXFVSA-N 2 1 338.923 3.862 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC001648813835 1120046983 /nfs/dbraw/zinc/04/69/83/1120046983.db2.gz BJISJSCEKCZTQD-HDICACEKSA-N 2 1 346.515 3.696 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC001648813835 1120046988 /nfs/dbraw/zinc/04/69/88/1120046988.db2.gz BJISJSCEKCZTQD-HDICACEKSA-N 2 1 346.515 3.696 20 0 EHADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OCC(C)C ZINC001648835461 1120051555 /nfs/dbraw/zinc/05/15/55/1120051555.db2.gz OXZLBIDVRDBWRP-UHFFFAOYSA-N 2 1 346.515 3.694 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(Cl)nc(Cl)n2C)C1 ZINC000084015164 1120142117 /nfs/dbraw/zinc/14/21/17/1120142117.db2.gz DBYTXARGNRBRQN-BETUJISGSA-N 2 1 347.334 3.575 20 0 EHADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186150654 1120445765 /nfs/dbraw/zinc/44/57/65/1120445765.db2.gz PSFYJXYGWOQDEX-WMZOPIPTSA-N 2 1 344.524 3.972 20 0 EHADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000186150654 1120445767 /nfs/dbraw/zinc/44/57/67/1120445767.db2.gz PSFYJXYGWOQDEX-WMZOPIPTSA-N 2 1 344.524 3.972 20 0 EHADMP CCCc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000187101455 1120486214 /nfs/dbraw/zinc/48/62/14/1120486214.db2.gz XHCSKORIMGJJQP-UHFFFAOYSA-N 2 1 338.495 3.761 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000191455105 1120674968 /nfs/dbraw/zinc/67/49/68/1120674968.db2.gz OTCGTLRGNHOEGB-QGZVFWFLSA-N 2 1 337.939 3.749 20 0 EHADMP Cc1ccc([C@@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192745747 1120746588 /nfs/dbraw/zinc/74/65/88/1120746588.db2.gz FZTKLEGQHWWHIT-QFIPXVFZSA-N 2 1 343.559 3.938 20 0 EHADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Br)c3ccccc23)CC1 ZINC001205110087 1120810090 /nfs/dbraw/zinc/81/00/90/1120810090.db2.gz OIHOQPJROQSWLJ-AWEZNQCLSA-N 2 1 333.273 3.916 20 0 EHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Br)c3ccccc23)CC1 ZINC001205110087 1120810092 /nfs/dbraw/zinc/81/00/92/1120810092.db2.gz OIHOQPJROQSWLJ-AWEZNQCLSA-N 2 1 333.273 3.916 20 0 EHADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Br)c3ccccc23)CC1 ZINC001205110088 1120810292 /nfs/dbraw/zinc/81/02/92/1120810292.db2.gz OIHOQPJROQSWLJ-CQSZACIVSA-N 2 1 333.273 3.916 20 0 EHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Br)c3ccccc23)CC1 ZINC001205110088 1120810294 /nfs/dbraw/zinc/81/02/94/1120810294.db2.gz OIHOQPJROQSWLJ-CQSZACIVSA-N 2 1 333.273 3.916 20 0 EHADMP Cc1ccccc1[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000494980721 1120921896 /nfs/dbraw/zinc/92/18/96/1120921896.db2.gz ZZFWIERHWAIVME-OAQYLSRUSA-N 2 1 343.559 3.842 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494975472 1120925211 /nfs/dbraw/zinc/92/52/11/1120925211.db2.gz DOKKFCRLZOGQFB-VMPITWQZSA-N 2 1 335.495 3.939 20 0 EHADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)nn1 ZINC000929840076 1120930922 /nfs/dbraw/zinc/93/09/22/1120930922.db2.gz BEMUQKQCKKNHQO-QGZVFWFLSA-N 2 1 330.520 3.570 20 0 EHADMP CCC(CC)(C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000495061218 1120940285 /nfs/dbraw/zinc/94/02/85/1120940285.db2.gz SHWBHSOUIFUIGD-AEFFLSMTSA-N 2 1 345.531 3.543 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000338778914 1128963409 /nfs/dbraw/zinc/96/34/09/1128963409.db2.gz FSHMBKAJEJBNCZ-HOCLYGCPSA-N 2 1 326.488 3.506 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)c3ccccc3Cl)C2)[nH+]1 ZINC000171649422 1121123971 /nfs/dbraw/zinc/12/39/71/1121123971.db2.gz OZXLXSDKFLWQOH-QAPCUYQASA-N 2 1 345.874 3.511 20 0 EHADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C2)[nH+]1 ZINC000171649422 1121123974 /nfs/dbraw/zinc/12/39/74/1121123974.db2.gz OZXLXSDKFLWQOH-QAPCUYQASA-N 2 1 345.874 3.511 20 0 EHADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311033878 1128977464 /nfs/dbraw/zinc/97/74/64/1128977464.db2.gz TXBNOUIDIVEWRH-LEWJYISDSA-N 2 1 342.527 3.526 20 0 EHADMP C[C@@H]1c2cccn2CC[N@@H+]1CCCCC[NH+]1CCn2cccc2[C@@H]1C ZINC000077247520 1129002889 /nfs/dbraw/zinc/00/28/89/1129002889.db2.gz QQKPIRQIPZKBLM-KDURUIRLSA-N 2 1 340.515 3.913 20 0 EHADMP C[C@@H]1c2cccn2CC[NH+]1CCCCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000077247520 1129002894 /nfs/dbraw/zinc/00/28/94/1129002894.db2.gz QQKPIRQIPZKBLM-KDURUIRLSA-N 2 1 340.515 3.913 20 0 EHADMP C[C@@H]1c2cccn2CC[NH+]1CCCCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000077247520 1129002898 /nfs/dbraw/zinc/00/28/98/1129002898.db2.gz QQKPIRQIPZKBLM-KDURUIRLSA-N 2 1 340.515 3.913 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000398035717 1121963637 /nfs/dbraw/zinc/96/36/37/1121963637.db2.gz PQPAEBYZJQIBII-KNQAVFIVSA-N 2 1 338.495 3.703 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000398035717 1121963640 /nfs/dbraw/zinc/96/36/40/1121963640.db2.gz PQPAEBYZJQIBII-KNQAVFIVSA-N 2 1 338.495 3.703 20 0 EHADMP Cc1nccn1CCCC[N@H+](C)Cc1csc(Br)c1 ZINC000125482623 1122318212 /nfs/dbraw/zinc/31/82/12/1122318212.db2.gz KUADVHNISJMTRD-UHFFFAOYSA-N 2 1 342.306 3.928 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1csc(Br)c1 ZINC000125482623 1122318217 /nfs/dbraw/zinc/31/82/17/1122318217.db2.gz KUADVHNISJMTRD-UHFFFAOYSA-N 2 1 342.306 3.928 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1csc(Br)c1 ZINC000125482623 1122318225 /nfs/dbraw/zinc/31/82/25/1122318225.db2.gz KUADVHNISJMTRD-UHFFFAOYSA-N 2 1 342.306 3.928 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000128359192 1122572349 /nfs/dbraw/zinc/57/23/49/1122572349.db2.gz LMVRLVBXFVACOW-UHFFFAOYSA-N 2 1 347.890 3.921 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000556178162 1122860609 /nfs/dbraw/zinc/86/06/09/1122860609.db2.gz DEGJBUOVOPUULH-BURNTYAHSA-N 2 1 328.500 3.617 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000556178162 1122860614 /nfs/dbraw/zinc/86/06/14/1122860614.db2.gz DEGJBUOVOPUULH-BURNTYAHSA-N 2 1 328.500 3.617 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155482 1122899088 /nfs/dbraw/zinc/89/90/88/1122899088.db2.gz YGASAKVDSDJUPP-IJLUTSLNSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155482 1122899094 /nfs/dbraw/zinc/89/90/94/1122899094.db2.gz YGASAKVDSDJUPP-IJLUTSLNSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498618646 1122994081 /nfs/dbraw/zinc/99/40/81/1122994081.db2.gz RWBRVYYTWSGUQA-ZHALLVOQSA-N 2 1 346.515 3.607 20 0 EHADMP CCC[N@H+](Cc1ccc(C)c(Br)c1F)C1CC[NH2+]CC1 ZINC001236185188 1123016797 /nfs/dbraw/zinc/01/67/97/1123016797.db2.gz ZYRNBMBWIWMJLM-UHFFFAOYSA-N 2 1 343.284 3.861 20 0 EHADMP CCC[N@@H+](Cc1ccc(C)c(Br)c1F)C1CC[NH2+]CC1 ZINC001236185188 1123016801 /nfs/dbraw/zinc/01/68/01/1123016801.db2.gz ZYRNBMBWIWMJLM-UHFFFAOYSA-N 2 1 343.284 3.861 20 0 EHADMP CC(C)(C)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556936021 1123225387 /nfs/dbraw/zinc/22/53/87/1123225387.db2.gz JVNGCQXESRMDMH-FQEVSTJZSA-N 2 1 344.543 3.941 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000557010268 1123265047 /nfs/dbraw/zinc/26/50/47/1123265047.db2.gz WQDDNXFCWOKLAQ-PMACEKPBSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000557010268 1123265049 /nfs/dbraw/zinc/26/50/49/1123265049.db2.gz WQDDNXFCWOKLAQ-PMACEKPBSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000557010268 1123265054 /nfs/dbraw/zinc/26/50/54/1123265054.db2.gz WQDDNXFCWOKLAQ-PMACEKPBSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000557010268 1123265057 /nfs/dbraw/zinc/26/50/57/1123265057.db2.gz WQDDNXFCWOKLAQ-PMACEKPBSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000557010268 1123265060 /nfs/dbraw/zinc/26/50/60/1123265060.db2.gz WQDDNXFCWOKLAQ-PMACEKPBSA-N 2 1 330.516 3.646 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000132648475 1123265810 /nfs/dbraw/zinc/26/58/10/1123265810.db2.gz XHFUFSFYHOEWDI-LJQANCHMSA-N 2 1 327.447 3.891 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCOc2c(Cl)cccc2Cl)CC1 ZINC000077250076 1123541621 /nfs/dbraw/zinc/54/16/21/1123541621.db2.gz IDGHQJPPGYRQDM-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCOc2c(Cl)cccc2Cl)CC1 ZINC000077250076 1123541626 /nfs/dbraw/zinc/54/16/26/1123541626.db2.gz IDGHQJPPGYRQDM-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP Cc1nccn1C[C@@H](C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080208537 1123746516 /nfs/dbraw/zinc/74/65/16/1123746516.db2.gz VRPZCIRDAUJLBT-SFHVURJKSA-N 2 1 342.531 3.575 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137207316 1123753903 /nfs/dbraw/zinc/75/39/03/1123753903.db2.gz BPKFYIPUWWPPEA-UHFFFAOYSA-N 2 1 345.712 3.924 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000246847363 1124556614 /nfs/dbraw/zinc/55/66/14/1124556614.db2.gz CKFMTBGBPVIMCC-LSTHTHJFSA-N 2 1 349.950 3.797 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570355 /nfs/dbraw/zinc/57/03/55/1124570355.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570366 /nfs/dbraw/zinc/57/03/66/1124570366.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570370 /nfs/dbraw/zinc/57/03/70/1124570370.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570388 /nfs/dbraw/zinc/57/03/88/1124570388.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570397 /nfs/dbraw/zinc/57/03/97/1124570397.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570401 /nfs/dbraw/zinc/57/04/01/1124570401.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570405 /nfs/dbraw/zinc/57/04/05/1124570405.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570409 /nfs/dbraw/zinc/57/04/09/1124570409.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246939726 1124570412 /nfs/dbraw/zinc/57/04/12/1124570412.db2.gz HOMNUHQFZNXYKA-WEMPKCCASA-N 2 1 343.559 3.737 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247199078 1124594205 /nfs/dbraw/zinc/59/42/05/1124594205.db2.gz WEFXZJZOWPCFBW-MCIONIFRSA-N 2 1 330.394 3.545 20 0 EHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247199078 1124594209 /nfs/dbraw/zinc/59/42/09/1124594209.db2.gz WEFXZJZOWPCFBW-MCIONIFRSA-N 2 1 330.394 3.545 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)s1 ZINC000247923424 1124629588 /nfs/dbraw/zinc/62/95/88/1124629588.db2.gz BJYZQZBGZNKYPB-KBPBESRZSA-N 2 1 330.925 3.679 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248405629 1124657737 /nfs/dbraw/zinc/65/77/37/1124657737.db2.gz RNJJQIUVUBLRAQ-OYNPSCLESA-N 2 1 344.543 3.674 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000248580958 1124675910 /nfs/dbraw/zinc/67/59/10/1124675910.db2.gz OPCFXQQCHDFCCH-SBHAEUEKSA-N 2 1 332.532 3.592 20 0 EHADMP Cc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000249498690 1124759553 /nfs/dbraw/zinc/75/95/53/1124759553.db2.gz WSEFNWPXGRFEQH-YPGOJHLTSA-N 2 1 337.511 3.945 20 0 EHADMP Cc1ccc2c(C)cc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)[nH+]c2c1 ZINC000763509342 1125230351 /nfs/dbraw/zinc/23/03/51/1125230351.db2.gz SCIYHAQWNRVGDD-SFHVURJKSA-N 2 1 339.483 3.907 20 0 EHADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210708 1125412984 /nfs/dbraw/zinc/41/29/84/1125412984.db2.gz LPKGEQXZBFUBBW-MBDNFAEBSA-N 2 1 341.543 3.724 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2c(s1)CCCC2 ZINC000765979864 1129431751 /nfs/dbraw/zinc/43/17/51/1129431751.db2.gz XPZPHMJYWHPFOY-MAUKXSAKSA-N 2 1 348.556 3.921 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](CCCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC000429006886 1129691189 /nfs/dbraw/zinc/69/11/89/1129691189.db2.gz UOIYXLJMZAKTKQ-NRFANRHFSA-N 2 1 330.516 3.781 20 0 EHADMP Cc1ccc[nH+]c1N([C@H]1Cc2cccc(Cl)c2C1)C1CC[NH2+]CC1 ZINC001168743636 1129872095 /nfs/dbraw/zinc/87/20/95/1129872095.db2.gz MIIXZWDJMLMVEE-KRWDZBQOSA-N 2 1 341.886 3.769 20 0 EHADMP C[C@H]1C[C@H](NCc2n[nH]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335833 1130067279 /nfs/dbraw/zinc/06/72/79/1130067279.db2.gz RRWTWPNDRUSLGJ-FUHWJXTLSA-N 2 1 334.467 3.706 20 0 EHADMP CC1(O)CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000703010026 1130267869 /nfs/dbraw/zinc/26/78/69/1130267869.db2.gz PDZFSGFZPBEUKD-MWXLCCTBSA-N 2 1 330.516 3.572 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745803 1130469086 /nfs/dbraw/zinc/46/90/86/1130469086.db2.gz GOVIUBNWKNFBQY-ZWOKBUDYSA-N 2 1 339.483 3.794 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745803 1130469091 /nfs/dbraw/zinc/46/90/91/1130469091.db2.gz GOVIUBNWKNFBQY-ZWOKBUDYSA-N 2 1 339.483 3.794 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@@H](C)C1 ZINC000675743805 1130469146 /nfs/dbraw/zinc/46/91/46/1130469146.db2.gz VMGAQOJMPFYFSZ-QFBILLFUSA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@@H](C)C1 ZINC000675743805 1130469152 /nfs/dbraw/zinc/46/91/52/1130469152.db2.gz VMGAQOJMPFYFSZ-QFBILLFUSA-N 2 1 325.456 3.694 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000675747976 1130470028 /nfs/dbraw/zinc/47/00/28/1130470028.db2.gz QDEXNCKVWRERSA-RBUKOAKNSA-N 3 1 343.559 3.881 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3C)[C@@H](C)C1 ZINC000675885286 1130501778 /nfs/dbraw/zinc/50/17/78/1130501778.db2.gz ONMYZAAVFMXRKJ-DZFGPLHGSA-N 2 1 330.516 3.709 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OCC2CC2)c(F)c1 ZINC000166844163 1130602535 /nfs/dbraw/zinc/60/25/35/1130602535.db2.gz CYBVIOLPGQKQHP-JCGIZDLHSA-N 2 1 332.463 3.892 20 0 EHADMP CC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152093 1130641356 /nfs/dbraw/zinc/64/13/56/1130641356.db2.gz NKGOWEAYHUVTOF-WLRLJWMZSA-N 2 1 329.532 3.502 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000732229553 1130903347 /nfs/dbraw/zinc/90/33/47/1130903347.db2.gz HVZJLKKVWOPNJD-NRFANRHFSA-N 2 1 338.495 3.680 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000738067340 1131459177 /nfs/dbraw/zinc/45/91/77/1131459177.db2.gz LSLMVJCDEBWCRI-UHFFFAOYSA-N 2 1 340.515 3.952 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172454304 1131748688 /nfs/dbraw/zinc/74/86/88/1131748688.db2.gz KMVSJMIZPLIDHX-QGZVFWFLSA-N 2 1 336.495 3.926 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172454304 1131748698 /nfs/dbraw/zinc/74/86/98/1131748698.db2.gz KMVSJMIZPLIDHX-QGZVFWFLSA-N 2 1 336.495 3.926 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172567283 1131775407 /nfs/dbraw/zinc/77/54/07/1131775407.db2.gz JDJQDQCXQKKFAI-QWHCGFSZSA-N 2 1 330.850 3.871 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172571100 1131776356 /nfs/dbraw/zinc/77/63/56/1131776356.db2.gz LTHJGKJPJIUMKZ-PSTGCABASA-N 2 1 330.850 3.869 20 0 EHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172571100 1131776363 /nfs/dbraw/zinc/77/63/63/1131776363.db2.gz LTHJGKJPJIUMKZ-PSTGCABASA-N 2 1 330.850 3.869 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206174779 1131822213 /nfs/dbraw/zinc/82/22/13/1131822213.db2.gz PLROGPQXWYLSML-MOPGFXCFSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206174779 1131822223 /nfs/dbraw/zinc/82/22/23/1131822223.db2.gz PLROGPQXWYLSML-MOPGFXCFSA-N 2 1 328.431 3.623 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001172864827 1131860846 /nfs/dbraw/zinc/86/08/46/1131860846.db2.gz XDZMGSLTUJEQIA-CQSZACIVSA-N 2 1 333.838 3.627 20 0 EHADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@H](OC)C1 ZINC001172926600 1131908074 /nfs/dbraw/zinc/90/80/74/1131908074.db2.gz CAXPYMCLGQEYCF-MUGJNUQGSA-N 2 1 346.515 3.725 20 0 EHADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173045497 1131941596 /nfs/dbraw/zinc/94/15/96/1131941596.db2.gz XODAIHXQYVGTDK-FQEVSTJZSA-N 2 1 334.548 3.970 20 0 EHADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173045497 1131941601 /nfs/dbraw/zinc/94/16/01/1131941601.db2.gz XODAIHXQYVGTDK-FQEVSTJZSA-N 2 1 334.548 3.970 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001173111389 1131970699 /nfs/dbraw/zinc/97/06/99/1131970699.db2.gz CVGFZXMGMVJOEM-JSRJAPPDSA-N 2 1 343.559 3.846 20 0 EHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1CCC2(CCCCC2)CC1 ZINC001173118779 1131973152 /nfs/dbraw/zinc/97/31/52/1131973152.db2.gz DJSIPMPZSQQLCV-VQTJNVASSA-N 2 1 333.564 3.590 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702317 1132129249 /nfs/dbraw/zinc/12/92/49/1132129249.db2.gz KYFDHTWSBYHLGD-LAUBAEHRSA-N 2 1 338.495 3.650 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C[C@H]3CCOc4ccccc43)C2)cc1 ZINC000385723687 1132503062 /nfs/dbraw/zinc/50/30/62/1132503062.db2.gz JNAUVNSOCCKFGU-VQTJNVASSA-N 2 1 336.479 3.664 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390589805 1132515291 /nfs/dbraw/zinc/51/52/91/1132515291.db2.gz RVTLJZHDTNICMJ-XICAJGIJSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000766457652 1132546923 /nfs/dbraw/zinc/54/69/23/1132546923.db2.gz NQPUPPKJTWFLHN-QGZVFWFLSA-N 2 1 338.499 3.930 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064943 1132649327 /nfs/dbraw/zinc/64/93/27/1132649327.db2.gz CQABOKGHXZJDFV-GCJKJVERSA-N 2 1 348.494 3.976 20 0 EHADMP C[C@@H]([NH2+]C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064943 1132649331 /nfs/dbraw/zinc/64/93/31/1132649331.db2.gz CQABOKGHXZJDFV-GCJKJVERSA-N 2 1 348.494 3.976 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3OC(F)(F)F)C2 ZINC001169101193 1132655409 /nfs/dbraw/zinc/65/54/09/1132655409.db2.gz OZRZUWXFAUCYNS-OQMKEHIESA-N 2 1 340.389 3.787 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C2 ZINC001169101968 1132656031 /nfs/dbraw/zinc/65/60/31/1132656031.db2.gz WUMAYTDNQXHLLA-OSYLJGHBSA-N 2 1 326.406 3.853 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccnc(C(F)(F)F)c2)C2CC2)CC1 ZINC001169240443 1132707441 /nfs/dbraw/zinc/70/74/41/1132707441.db2.gz IOQBACPDVDLHKY-MRXNPFEDSA-N 2 1 327.394 3.625 20 0 EHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643175 1132720928 /nfs/dbraw/zinc/72/09/28/1132720928.db2.gz NWKSQVDJQFMZCV-LEWJYISDSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1 ZINC001175643175 1132720933 /nfs/dbraw/zinc/72/09/33/1132720933.db2.gz NWKSQVDJQFMZCV-LEWJYISDSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1 ZINC001175643175 1132720936 /nfs/dbraw/zinc/72/09/36/1132720936.db2.gz NWKSQVDJQFMZCV-LEWJYISDSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643175 1132720943 /nfs/dbraw/zinc/72/09/43/1132720943.db2.gz NWKSQVDJQFMZCV-LEWJYISDSA-N 2 1 330.516 3.524 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643175 1132720949 /nfs/dbraw/zinc/72/09/49/1132720949.db2.gz NWKSQVDJQFMZCV-LEWJYISDSA-N 2 1 330.516 3.524 20 0 EHADMP CC[NH+]1CCC([N@H+](C)C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169304640 1132725025 /nfs/dbraw/zinc/72/50/25/1132725025.db2.gz GSYGNKBLKQNOKK-UHFFFAOYSA-N 2 1 344.499 3.571 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169304640 1132725032 /nfs/dbraw/zinc/72/50/32/1132725032.db2.gz GSYGNKBLKQNOKK-UHFFFAOYSA-N 2 1 344.499 3.571 20 0 EHADMP C[C@@H]1C[N@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206011846 1132757208 /nfs/dbraw/zinc/75/72/08/1132757208.db2.gz GTLHBVSMIZEHMY-ZJUUUORDSA-N 2 1 336.694 3.849 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cc(Cl)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206011846 1132757215 /nfs/dbraw/zinc/75/72/15/1132757215.db2.gz GTLHBVSMIZEHMY-ZJUUUORDSA-N 2 1 336.694 3.849 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(Nc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001176228043 1132880630 /nfs/dbraw/zinc/88/06/30/1132880630.db2.gz VYWOQRGBWIDPOY-UHFFFAOYSA-N 2 1 336.439 3.865 20 0 EHADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC001177267683 1133050514 /nfs/dbraw/zinc/05/05/14/1133050514.db2.gz LISGNCZJQBAMMI-SIKLNZKXSA-N 2 1 343.559 3.883 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2cc(Br)ccc2Cl)[C@H](C)C1 ZINC000767923281 1133068260 /nfs/dbraw/zinc/06/82/60/1133068260.db2.gz WVTWGSZHLZJGON-ABAIWWIYSA-N 2 1 345.712 3.922 20 0 EHADMP Cc1c(Cl)ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1Cl ZINC001177864921 1133108810 /nfs/dbraw/zinc/10/88/10/1133108810.db2.gz SPWWTPWCPWOJDF-HNNXBMFYSA-N 2 1 345.314 3.628 20 0 EHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)[C@H](c2ccccc2)C1 ZINC001179015738 1133221135 /nfs/dbraw/zinc/22/11/35/1133221135.db2.gz KUVHZYYSHLZXPV-MJGOQNOKSA-N 2 1 346.421 3.723 20 0 EHADMP Cc1[nH+]ccn1CCCC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000769365471 1133270691 /nfs/dbraw/zinc/27/06/91/1133270691.db2.gz LHXBZGKEDKQEEH-UHFFFAOYSA-N 2 1 340.471 3.515 20 0 EHADMP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000769425918 1133282219 /nfs/dbraw/zinc/28/22/19/1133282219.db2.gz ZVCKDGKIASQZIB-UHFFFAOYSA-N 2 1 338.495 3.632 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000769425918 1133282225 /nfs/dbraw/zinc/28/22/25/1133282225.db2.gz ZVCKDGKIASQZIB-UHFFFAOYSA-N 2 1 338.495 3.632 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000770349989 1133418660 /nfs/dbraw/zinc/41/86/60/1133418660.db2.gz CSSLAPCAQGUKIW-UYAOXDASSA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000770349989 1133418663 /nfs/dbraw/zinc/41/86/63/1133418663.db2.gz CSSLAPCAQGUKIW-UYAOXDASSA-N 2 1 327.516 3.593 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)CC[C@H]21 ZINC000770349989 1133418665 /nfs/dbraw/zinc/41/86/65/1133418665.db2.gz CSSLAPCAQGUKIW-UYAOXDASSA-N 2 1 327.516 3.593 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCCC[C@H]1C ZINC001180810376 1133418708 /nfs/dbraw/zinc/41/87/08/1133418708.db2.gz LOQKBHROPLJTLU-OVQGTLEDSA-N 2 1 330.516 3.558 20 0 EHADMP C[C@]1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697164 1133518921 /nfs/dbraw/zinc/51/89/21/1133518921.db2.gz GLWDHDKERKIBHB-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@]1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697164 1133518925 /nfs/dbraw/zinc/51/89/25/1133518925.db2.gz GLWDHDKERKIBHB-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@]1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697164 1133518929 /nfs/dbraw/zinc/51/89/29/1133518929.db2.gz GLWDHDKERKIBHB-NHCUHLMSSA-N 2 1 328.500 3.544 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CC1(Cl)Cl ZINC000771452348 1133554912 /nfs/dbraw/zinc/55/49/12/1133554912.db2.gz NIHLVSSDEHBLJT-OAHLLOKOSA-N 2 1 342.314 3.814 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC001184388041 1133933750 /nfs/dbraw/zinc/93/37/50/1133933750.db2.gz PATMVWGUBBCDRL-ODVANORSSA-N 2 1 326.406 3.739 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000746672090 1133990305 /nfs/dbraw/zinc/99/03/05/1133990305.db2.gz LUFCZMFQTRKTJS-NQIIRXRSSA-N 2 1 348.506 3.756 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000746672090 1133990310 /nfs/dbraw/zinc/99/03/10/1133990310.db2.gz LUFCZMFQTRKTJS-NQIIRXRSSA-N 2 1 348.506 3.756 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788244591 1134099686 /nfs/dbraw/zinc/09/96/86/1134099686.db2.gz NTKYXVSBJSOVJC-DLBZAZTESA-N 2 1 341.540 3.532 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC001186069750 1134164768 /nfs/dbraw/zinc/16/47/68/1134164768.db2.gz GNAINNYNHNHGRM-DZGCQCFKSA-N 2 1 327.476 3.585 20 0 EHADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC001186069750 1134164771 /nfs/dbraw/zinc/16/47/71/1134164771.db2.gz GNAINNYNHNHGRM-DZGCQCFKSA-N 2 1 327.476 3.585 20 0 EHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170119734 1134333441 /nfs/dbraw/zinc/33/34/41/1134333441.db2.gz BVDTYAONHJPSDJ-KNTRFNDTSA-N 2 1 344.499 3.734 20 0 EHADMP CO[C@@]1(C)CCC[NH+](CCCCCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000791556839 1134573030 /nfs/dbraw/zinc/57/30/30/1134573030.db2.gz PSPZXYIDWXBTHW-PMACEKPBSA-N 2 1 340.552 3.549 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238985 1134718495 /nfs/dbraw/zinc/71/84/95/1134718495.db2.gz LPPHBSVZHQMFLX-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CCO1 ZINC001170238985 1134718502 /nfs/dbraw/zinc/71/85/02/1134718502.db2.gz LPPHBSVZHQMFLX-VQTJNVASSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001170407967 1134771028 /nfs/dbraw/zinc/77/10/28/1134771028.db2.gz PVXAVPNLIIIRKU-WMZOPIPTSA-N 2 1 332.488 3.591 20 0 EHADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)s1 ZINC001191122483 1134796364 /nfs/dbraw/zinc/79/63/64/1134796364.db2.gz SBTPDCDQOPUVAZ-SFHVURJKSA-N 2 1 349.588 3.691 20 0 EHADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)s1 ZINC001191122483 1134796371 /nfs/dbraw/zinc/79/63/71/1134796371.db2.gz SBTPDCDQOPUVAZ-SFHVURJKSA-N 2 1 349.588 3.691 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC001205616225 1135071502 /nfs/dbraw/zinc/07/15/02/1135071502.db2.gz DPOCAVGEVSXNDV-RYUDHWBXSA-N 2 1 345.712 3.909 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC001205616218 1135071556 /nfs/dbraw/zinc/07/15/56/1135071556.db2.gz DPAULZCVKCTFEJ-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC001205616218 1135071562 /nfs/dbraw/zinc/07/15/62/1135071562.db2.gz DPAULZCVKCTFEJ-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@H+](Cc2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205628257 1135132621 /nfs/dbraw/zinc/13/26/21/1135132621.db2.gz UEPHOGSDIZKIFD-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205628257 1135132623 /nfs/dbraw/zinc/13/26/23/1135132623.db2.gz UEPHOGSDIZKIFD-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC001193649242 1135166574 /nfs/dbraw/zinc/16/65/74/1135166574.db2.gz MYMSMPRIKSINFO-QFBILLFUSA-N 2 1 338.923 3.875 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC001193649242 1135166577 /nfs/dbraw/zinc/16/65/77/1135166577.db2.gz MYMSMPRIKSINFO-QFBILLFUSA-N 2 1 338.923 3.875 20 0 EHADMP c1cc(N2CCCC2)nc(NCCCCCCC[NH+]2CCCC2)[nH+]1 ZINC000747213718 1135200305 /nfs/dbraw/zinc/20/03/05/1135200305.db2.gz WNTDLRNOJAUOOR-UHFFFAOYSA-N 2 1 331.508 3.535 20 0 EHADMP Cc1ncsc1CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC001194525671 1135281987 /nfs/dbraw/zinc/28/19/87/1135281987.db2.gz SLQVMDYBIBMZDS-UHFFFAOYSA-N 2 1 329.513 3.638 20 0 EHADMP CCO[C@H](C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961420 1135635232 /nfs/dbraw/zinc/63/52/32/1135635232.db2.gz JDHZBMYBIUISCI-VSKRKVRLSA-N 2 1 342.527 3.646 20 0 EHADMP CCO[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961420 1135635234 /nfs/dbraw/zinc/63/52/34/1135635234.db2.gz JDHZBMYBIUISCI-VSKRKVRLSA-N 2 1 342.527 3.646 20 0 EHADMP CCO[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961420 1135635236 /nfs/dbraw/zinc/63/52/36/1135635236.db2.gz JDHZBMYBIUISCI-VSKRKVRLSA-N 2 1 342.527 3.646 20 0 EHADMP CCO[C@H](C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001196961420 1135635238 /nfs/dbraw/zinc/63/52/38/1135635238.db2.gz JDHZBMYBIUISCI-VSKRKVRLSA-N 2 1 342.527 3.646 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001198968451 1135869919 /nfs/dbraw/zinc/86/99/19/1135869919.db2.gz IKFMYQBZQFANJE-GUDVDZBRSA-N 2 1 349.588 3.985 20 0 EHADMP Cc1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1-c1ccccc1 ZINC000809738398 1135882634 /nfs/dbraw/zinc/88/26/34/1135882634.db2.gz XFSLVLYJSADVEF-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP Cc1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1-c1ccccc1 ZINC000809738398 1135882636 /nfs/dbraw/zinc/88/26/36/1135882636.db2.gz XFSLVLYJSADVEF-UHFFFAOYSA-N 2 1 348.494 3.874 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2cccs2)cc1 ZINC000809738734 1135883146 /nfs/dbraw/zinc/88/31/46/1135883146.db2.gz GZPYQFCMICMKKQ-UHFFFAOYSA-N 2 1 340.496 3.832 20 0 EHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000809754635 1135886632 /nfs/dbraw/zinc/88/66/32/1135886632.db2.gz LGYQTYRUWRUKPS-CKEIUWERSA-N 2 1 343.298 3.633 20 0 EHADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1 ZINC001199328632 1135897971 /nfs/dbraw/zinc/89/79/71/1135897971.db2.gz CCJIUHBAPUNLHR-SIKLNZKXSA-N 2 1 343.559 3.883 20 0 EHADMP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001199667252 1135918294 /nfs/dbraw/zinc/91/82/94/1135918294.db2.gz MPXZEFIWWFMZQV-QGZVFWFLSA-N 2 1 342.458 3.645 20 0 EHADMP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001199667252 1135918296 /nfs/dbraw/zinc/91/82/96/1135918296.db2.gz MPXZEFIWWFMZQV-QGZVFWFLSA-N 2 1 342.458 3.645 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126853 1135924065 /nfs/dbraw/zinc/92/40/65/1135924065.db2.gz NROQFJSMFMLMST-IEBWSBKVSA-N 2 1 343.515 3.729 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)C1 ZINC001199743285 1135925508 /nfs/dbraw/zinc/92/55/08/1135925508.db2.gz VTQXFNNUOSDPHZ-FUHWJXTLSA-N 2 1 334.504 3.694 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000776155865 1136006572 /nfs/dbraw/zinc/00/65/72/1136006572.db2.gz IYHWWPAUAPZABC-QYZOEREBSA-N 2 1 334.479 3.756 20 0 EHADMP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000776155865 1136006577 /nfs/dbraw/zinc/00/65/77/1136006577.db2.gz IYHWWPAUAPZABC-QYZOEREBSA-N 2 1 334.479 3.756 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001201390523 1136015609 /nfs/dbraw/zinc/01/56/09/1136015609.db2.gz XJHJYNPZGGIRBU-IBGZPJMESA-N 2 1 346.515 3.915 20 0 EHADMP CCCCCC/C(=C\c1ccccc1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001201887546 1136070087 /nfs/dbraw/zinc/07/00/87/1136070087.db2.gz CBBANEZRUFCUCI-LSSXRZCCSA-N 2 1 330.516 3.697 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202348413 1136127260 /nfs/dbraw/zinc/12/72/60/1136127260.db2.gz NSRLWCNTMOTXLQ-HYVNUMGLSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]21 ZINC001202348413 1136127263 /nfs/dbraw/zinc/12/72/63/1136127263.db2.gz NSRLWCNTMOTXLQ-HYVNUMGLSA-N 2 1 341.421 3.566 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]21 ZINC001202348413 1136127268 /nfs/dbraw/zinc/12/72/68/1136127268.db2.gz NSRLWCNTMOTXLQ-HYVNUMGLSA-N 2 1 341.421 3.566 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372939 1136243865 /nfs/dbraw/zinc/24/38/65/1136243865.db2.gz BLIRFOWHINPZAN-YUXAGFNASA-N 2 1 348.490 3.952 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000850372939 1136243867 /nfs/dbraw/zinc/24/38/67/1136243867.db2.gz BLIRFOWHINPZAN-YUXAGFNASA-N 2 1 348.490 3.952 20 0 EHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850414066 1136253348 /nfs/dbraw/zinc/25/33/48/1136253348.db2.gz UKCZAXGVRGJVMY-AKHDSKFASA-N 2 1 336.907 3.614 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000850483012 1136267318 /nfs/dbraw/zinc/26/73/18/1136267318.db2.gz NCOAHXMXWFSESX-QAPCUYQASA-N 2 1 347.503 3.854 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@@H](O)c4ccccc43)CC2)C1 ZINC000850529018 1136279027 /nfs/dbraw/zinc/27/90/27/1136279027.db2.gz MURBDSIYFBDOLT-ZHFAOOELSA-N 2 1 328.500 3.798 20 0 EHADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813881843 1136372319 /nfs/dbraw/zinc/37/23/19/1136372319.db2.gz WGTWCASFOPHANS-CBANROCLSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H](CCCCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813882020 1136372834 /nfs/dbraw/zinc/37/28/34/1136372834.db2.gz YTSRIQPVVZFVSX-XSLAUPDRSA-N 2 1 330.516 3.713 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)oc21 ZINC000853093657 1136508501 /nfs/dbraw/zinc/50/85/01/1136508501.db2.gz PTQUNECDDBQLIF-MRXNPFEDSA-N 2 1 328.456 3.653 20 0 EHADMP COc1cccc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)oc21 ZINC000853093657 1136508503 /nfs/dbraw/zinc/50/85/03/1136508503.db2.gz PTQUNECDDBQLIF-MRXNPFEDSA-N 2 1 328.456 3.653 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)c3cccc4ccccc43)C2)CC1 ZINC000815107551 1136556798 /nfs/dbraw/zinc/55/67/98/1136556798.db2.gz QMRWVLDTNZVTFK-NRFANRHFSA-N 2 1 338.495 3.681 20 0 EHADMP c1ccc(C[NH+]2CCC3(CCC[N@H+]([C@H]4CCCOCC4)C3)CC2)cc1 ZINC001170834948 1136740018 /nfs/dbraw/zinc/74/00/18/1136740018.db2.gz QRFAXXGNLDCPNL-NRFANRHFSA-N 2 1 342.527 3.934 20 0 EHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+]([C@H]2CCCOCC2)C3)cc1 ZINC001170835301 1136741102 /nfs/dbraw/zinc/74/11/02/1136741102.db2.gz QXFPRBDMHCQAHF-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+]([C@H]2CCCOCC2)C3)cc1 ZINC001170835301 1136741104 /nfs/dbraw/zinc/74/11/04/1136741104.db2.gz QXFPRBDMHCQAHF-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+]([C@H]2CCCOCC2)C3)cc1 ZINC001170835301 1136741107 /nfs/dbraw/zinc/74/11/07/1136741107.db2.gz QXFPRBDMHCQAHF-SFTDATJTSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCc3cccnc3CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000817584134 1136825134 /nfs/dbraw/zinc/82/51/34/1136825134.db2.gz SGJXFNFMSGYTPW-FYYLOGMGSA-N 2 1 349.522 3.831 20 0 EHADMP Fc1ccccc1COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817864721 1136841914 /nfs/dbraw/zinc/84/19/14/1136841914.db2.gz AXOAFSUMMJQIHP-UHFFFAOYSA-N 2 1 340.442 3.733 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](O)c1c(F)cccc1Cl ZINC000817919984 1136846488 /nfs/dbraw/zinc/84/64/88/1136846488.db2.gz XYEITMNTZSKEQU-RIILARPGSA-N 2 1 334.822 3.635 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818985914 1136896930 /nfs/dbraw/zinc/89/69/30/1136896930.db2.gz ZUNARQNZOGTLQC-DYVFJYSZSA-N 2 1 345.314 3.737 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000819101661 1136908610 /nfs/dbraw/zinc/90/86/10/1136908610.db2.gz XBHNSHAGWQUCJN-ILZDJORESA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000819101661 1136908613 /nfs/dbraw/zinc/90/86/13/1136908613.db2.gz XBHNSHAGWQUCJN-ILZDJORESA-N 2 1 344.524 3.763 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857847304 1136911889 /nfs/dbraw/zinc/91/18/89/1136911889.db2.gz MTIPAWTUFRIDBA-UZLBHIALSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857847304 1136911892 /nfs/dbraw/zinc/91/18/92/1136911892.db2.gz MTIPAWTUFRIDBA-UZLBHIALSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847304 1136911896 /nfs/dbraw/zinc/91/18/96/1136911896.db2.gz MTIPAWTUFRIDBA-UZLBHIALSA-N 2 1 338.499 3.951 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847304 1136911898 /nfs/dbraw/zinc/91/18/98/1136911898.db2.gz MTIPAWTUFRIDBA-UZLBHIALSA-N 2 1 338.499 3.951 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000819126346 1136917149 /nfs/dbraw/zinc/91/71/49/1136917149.db2.gz OHEGEVADUKJIJH-QGZVFWFLSA-N 2 1 330.875 3.611 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858097858 1136939388 /nfs/dbraw/zinc/93/93/88/1136939388.db2.gz BPBSUEAOQAXKOM-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858169251 1136946177 /nfs/dbraw/zinc/94/61/77/1136946177.db2.gz NYWJMXYDKLGIAP-WBVHZDCISA-N 2 1 345.487 3.557 20 0 EHADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820810127 1137005082 /nfs/dbraw/zinc/00/50/82/1137005082.db2.gz PKGVMCGAMJLULC-NJVDNQLDSA-N 2 1 344.543 3.959 20 0 EHADMP COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000859212288 1137007949 /nfs/dbraw/zinc/00/79/49/1137007949.db2.gz MGPFEZRKPDHDPB-OAHLLOKOSA-N 2 1 344.455 3.629 20 0 EHADMP Fc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)CC2 ZINC001170999800 1137082865 /nfs/dbraw/zinc/08/28/65/1137082865.db2.gz DGQNQXXIXUPTJF-GOSISDBHSA-N 2 1 334.454 3.581 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccc(-c5ccccc5)nc4c3)C[C@@H]2C1 ZINC001136946259 1137153277 /nfs/dbraw/zinc/15/32/77/1137153277.db2.gz SNXHVQRSZIRCEI-OYRHEFFESA-N 2 1 343.474 3.895 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccc(-c5ccccc5)nc4c3)C[C@@H]2C1 ZINC001136946259 1137153279 /nfs/dbraw/zinc/15/32/79/1137153279.db2.gz SNXHVQRSZIRCEI-OYRHEFFESA-N 2 1 343.474 3.895 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(F)cc(F)c2C)CC1 ZINC001143763891 1137196441 /nfs/dbraw/zinc/19/64/41/1137196441.db2.gz OBXMYJPGBKHUAD-UHFFFAOYSA-N 2 1 331.410 3.716 20 0 EHADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000863662301 1137197618 /nfs/dbraw/zinc/19/76/18/1137197618.db2.gz RSTCFICVNMAJOW-QGZVFWFLSA-N 2 1 328.460 3.768 20 0 EHADMP FC1(F)C[C@@]12CCC[NH+](C/C=C\C[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442385 1137223747 /nfs/dbraw/zinc/22/37/47/1137223747.db2.gz XVTALFXRULUNRL-QZLXFXEDSA-N 2 1 346.412 3.785 20 0 EHADMP FC1(F)C[C@@]12CCC[N@@H+](C/C=C\C[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442385 1137223749 /nfs/dbraw/zinc/22/37/49/1137223749.db2.gz XVTALFXRULUNRL-QZLXFXEDSA-N 2 1 346.412 3.785 20 0 EHADMP FC1(F)C[C@@]12CCC[N@H+](C/C=C\C[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844442385 1137223751 /nfs/dbraw/zinc/22/37/51/1137223751.db2.gz XVTALFXRULUNRL-QZLXFXEDSA-N 2 1 346.412 3.785 20 0 EHADMP Fc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cnc1Cl ZINC000865408514 1137280708 /nfs/dbraw/zinc/28/07/08/1137280708.db2.gz WGWCBUGGXXQRPX-UHFFFAOYSA-N 2 1 333.838 3.760 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578829 1137322163 /nfs/dbraw/zinc/32/21/63/1137322163.db2.gz CPFZJVKQCPXFJR-YOEHRIQHSA-N 2 1 339.321 3.831 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000866251676 1137339568 /nfs/dbraw/zinc/33/95/68/1137339568.db2.gz YWQORAFROBXKCG-HKUYNNGSSA-N 2 1 343.540 3.966 20 0 EHADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000866251676 1137339570 /nfs/dbraw/zinc/33/95/70/1137339570.db2.gz YWQORAFROBXKCG-HKUYNNGSSA-N 2 1 343.540 3.966 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866260302 1137340305 /nfs/dbraw/zinc/34/03/05/1137340305.db2.gz UFOIJFWEVCHMNC-DLBZAZTESA-N 2 1 336.483 3.987 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866529969 1137361646 /nfs/dbraw/zinc/36/16/46/1137361646.db2.gz UVZXLZIGSMYCCV-JBACZVJFSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)CC2)n1 ZINC000866562197 1137364613 /nfs/dbraw/zinc/36/46/13/1137364613.db2.gz PLMMIZXELPIZON-TVPLGVNVSA-N 2 1 346.519 3.791 20 0 EHADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)n1 ZINC000866562197 1137364615 /nfs/dbraw/zinc/36/46/15/1137364615.db2.gz PLMMIZXELPIZON-TVPLGVNVSA-N 2 1 346.519 3.791 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001171302528 1137404851 /nfs/dbraw/zinc/40/48/51/1137404851.db2.gz VUHWAWWCEAURDK-FPCVCCKLSA-N 2 1 348.918 3.811 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001171302528 1137404852 /nfs/dbraw/zinc/40/48/52/1137404852.db2.gz VUHWAWWCEAURDK-FPCVCCKLSA-N 2 1 348.918 3.811 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@H](C)C1 ZINC000282731770 1137442723 /nfs/dbraw/zinc/44/27/23/1137442723.db2.gz DORAZRDBVYWBDP-DYESRHJHSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@H](C)C1 ZINC000282731770 1137442725 /nfs/dbraw/zinc/44/27/25/1137442725.db2.gz DORAZRDBVYWBDP-DYESRHJHSA-N 2 1 340.515 3.558 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)[C@H](C)C1 ZINC000282731770 1137442726 /nfs/dbraw/zinc/44/27/26/1137442726.db2.gz DORAZRDBVYWBDP-DYESRHJHSA-N 2 1 340.515 3.558 20 0 EHADMP CCC(CC)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)OC ZINC000348133841 1137444846 /nfs/dbraw/zinc/44/48/46/1137444846.db2.gz LVUDTYVQHMFARV-OAHLLOKOSA-N 2 1 343.471 3.811 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000348176968 1137450718 /nfs/dbraw/zinc/45/07/18/1137450718.db2.gz WYXSFOXZQYVDMQ-FZKQIMNGSA-N 2 1 327.453 3.626 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000773107374 1137466141 /nfs/dbraw/zinc/46/61/41/1137466141.db2.gz YSRNDDCHSGFKLX-UKAVVXHISA-N 2 1 330.516 3.692 20 0 EHADMP CC1(C)CC([NH2+]Cc2csc(Br)c2)CC(C)(C)[NH2+]1 ZINC000036867834 1137475431 /nfs/dbraw/zinc/47/54/31/1137475431.db2.gz KXBLAQQRQXGEFA-UHFFFAOYSA-N 2 1 331.323 3.909 20 0 EHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678865 1137503606 /nfs/dbraw/zinc/50/36/06/1137503606.db2.gz HYWMDGSJHCODDC-UGKGYDQZSA-N 2 1 344.543 3.891 20 0 EHADMP CN1CCC([N@@H+](C2CCCC2)C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641649 1137504642 /nfs/dbraw/zinc/50/46/42/1137504642.db2.gz RYVNHLDOJCLPPL-UHFFFAOYSA-N 2 1 335.580 3.977 20 0 EHADMP C[C@@H]1C[C@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727266 1137506817 /nfs/dbraw/zinc/50/68/17/1137506817.db2.gz BELKSRDOBQROKU-AEFFLSMTSA-N 2 1 347.462 3.618 20 0 EHADMP C[C@@H]1C[C@H](n2cc(C(=O)C[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171727266 1137506819 /nfs/dbraw/zinc/50/68/19/1137506819.db2.gz BELKSRDOBQROKU-AEFFLSMTSA-N 2 1 347.462 3.618 20 0 EHADMP COc1ccc2c(C[NH3+])cn([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001171732969 1137507039 /nfs/dbraw/zinc/50/70/39/1137507039.db2.gz NHTOQBNNRMPBKJ-VQIMIIECSA-N 2 1 349.478 3.944 20 0 EHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001171755000 1137508481 /nfs/dbraw/zinc/50/84/81/1137508481.db2.gz KZYXROWWPAUAIY-DENIHFKCSA-N 2 1 343.559 3.702 20 0 EHADMP CCCCCC[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764767 1137509248 /nfs/dbraw/zinc/50/92/48/1137509248.db2.gz UVMSUYYNCPQDJA-UNMCSNQZSA-N 2 1 343.559 3.847 20 0 EHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807989 1137513784 /nfs/dbraw/zinc/51/37/84/1137513784.db2.gz WWGAKUYACKNBPZ-AZUAARDMSA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807989 1137513786 /nfs/dbraw/zinc/51/37/86/1137513786.db2.gz WWGAKUYACKNBPZ-AZUAARDMSA-N 2 1 338.470 3.747 20 0 EHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807989 1137513788 /nfs/dbraw/zinc/51/37/88/1137513788.db2.gz WWGAKUYACKNBPZ-AZUAARDMSA-N 2 1 338.470 3.747 20 0 EHADMP CCOC(=O)C1(C)CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001171946832 1137522623 /nfs/dbraw/zinc/52/26/23/1137522623.db2.gz YLIBGRHPUAMICR-DMVBEIBASA-N 2 1 336.520 3.623 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C2CCC(CCO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974170 1137524528 /nfs/dbraw/zinc/52/45/28/1137524528.db2.gz CUJFSVOOMYQEIW-MNLRITNHSA-N 2 1 344.543 3.960 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC001171975812 1137525009 /nfs/dbraw/zinc/52/50/09/1137525009.db2.gz GEGAQZULXQEKTE-FQEVSTJZSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC001171975812 1137525011 /nfs/dbraw/zinc/52/50/11/1137525011.db2.gz GEGAQZULXQEKTE-FQEVSTJZSA-N 2 1 348.494 3.867 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977926 1137525980 /nfs/dbraw/zinc/52/59/80/1137525980.db2.gz UZUIWBUVWUKAMV-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977926 1137525982 /nfs/dbraw/zinc/52/59/82/1137525982.db2.gz UZUIWBUVWUKAMV-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977926 1137525984 /nfs/dbraw/zinc/52/59/84/1137525984.db2.gz UZUIWBUVWUKAMV-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977926 1137525985 /nfs/dbraw/zinc/52/59/85/1137525985.db2.gz UZUIWBUVWUKAMV-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[N@@H+](CCc1ccncc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171980698 1137526912 /nfs/dbraw/zinc/52/69/12/1137526912.db2.gz GAMSWIOCTQTCGL-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980698 1137526914 /nfs/dbraw/zinc/52/69/14/1137526914.db2.gz GAMSWIOCTQTCGL-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP C[NH+](CCc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980698 1137526916 /nfs/dbraw/zinc/52/69/16/1137526916.db2.gz GAMSWIOCTQTCGL-NRFANRHFSA-N 2 1 337.511 3.999 20 0 EHADMP CCCO[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985558 1137526997 /nfs/dbraw/zinc/52/69/97/1137526997.db2.gz XWRHYCKRRVVUEI-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985558 1137526998 /nfs/dbraw/zinc/52/69/98/1137526998.db2.gz XWRHYCKRRVVUEI-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985558 1137526999 /nfs/dbraw/zinc/52/69/99/1137526999.db2.gz XWRHYCKRRVVUEI-UXHICEINSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](CC)[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988493 1137527967 /nfs/dbraw/zinc/52/79/67/1137527967.db2.gz RVTQEOJEBKKDKR-SFTDATJTSA-N 2 1 343.559 3.846 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987773 1137528048 /nfs/dbraw/zinc/52/80/48/1137528048.db2.gz JGXXUGVXXQYALB-DYXWJJEUSA-N 2 1 328.500 3.683 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987773 1137528050 /nfs/dbraw/zinc/52/80/50/1137528050.db2.gz JGXXUGVXXQYALB-DYXWJJEUSA-N 2 1 328.500 3.683 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987773 1137528051 /nfs/dbraw/zinc/52/80/51/1137528051.db2.gz JGXXUGVXXQYALB-DYXWJJEUSA-N 2 1 328.500 3.683 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987773 1137528053 /nfs/dbraw/zinc/52/80/53/1137528053.db2.gz JGXXUGVXXQYALB-DYXWJJEUSA-N 2 1 328.500 3.683 20 0 EHADMP CCC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074745 1137530139 /nfs/dbraw/zinc/53/01/39/1137530139.db2.gz LZSYDXBIDOJKSK-KOUNCHBCSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075996 1137530283 /nfs/dbraw/zinc/53/02/83/1137530283.db2.gz GPPDXCRPGLUVOK-JFHUYLGKSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076010 1137530439 /nfs/dbraw/zinc/53/04/39/1137530439.db2.gz GPPDXCRPGLUVOK-RQXATKFSSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1(C)C ZINC001172082078 1137531323 /nfs/dbraw/zinc/53/13/23/1137531323.db2.gz JGMDIBZVFIIJLB-WKCHPHFGSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(C)C ZINC001172082078 1137531325 /nfs/dbraw/zinc/53/13/25/1137531325.db2.gz JGMDIBZVFIIJLB-WKCHPHFGSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1(C)C ZINC001172082078 1137531327 /nfs/dbraw/zinc/53/13/27/1137531327.db2.gz JGMDIBZVFIIJLB-WKCHPHFGSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068429 1137534556 /nfs/dbraw/zinc/53/45/56/1137534556.db2.gz ICMKTMVIZSTYEJ-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068429 1137534558 /nfs/dbraw/zinc/53/45/58/1137534558.db2.gz ICMKTMVIZSTYEJ-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068429 1137534560 /nfs/dbraw/zinc/53/45/60/1137534560.db2.gz ICMKTMVIZSTYEJ-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@]1(C)O ZINC001172068429 1137534561 /nfs/dbraw/zinc/53/45/61/1137534561.db2.gz ICMKTMVIZSTYEJ-MBMVPVEPSA-N 2 1 342.527 3.665 20 0 EHADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129441 1137535533 /nfs/dbraw/zinc/53/55/33/1137535533.db2.gz ZSGKJXBNIJGEFC-LMCOJAPRSA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129441 1137535535 /nfs/dbraw/zinc/53/55/35/1137535535.db2.gz ZSGKJXBNIJGEFC-LMCOJAPRSA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129441 1137535537 /nfs/dbraw/zinc/53/55/37/1137535537.db2.gz ZSGKJXBNIJGEFC-LMCOJAPRSA-N 2 1 346.515 3.547 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3c1cccc3Cl)C2 ZINC001172108713 1137537156 /nfs/dbraw/zinc/53/71/56/1137537156.db2.gz DIWYKVJIBQKOPZ-ZSHCYNCHSA-N 2 1 331.891 3.984 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109723 1137537229 /nfs/dbraw/zinc/53/72/29/1137537229.db2.gz KJGPGQIDBXSSKU-JFILPPLUSA-N 2 1 343.298 3.632 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccc(Cl)cc3)CC1)C2 ZINC001172111316 1137537683 /nfs/dbraw/zinc/53/76/83/1137537683.db2.gz QAHWMRMOWCUJOG-BWTSREIZSA-N 2 1 347.934 3.605 20 0 EHADMP COc1ccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)cc1 ZINC001172112177 1137537776 /nfs/dbraw/zinc/53/77/76/1137537776.db2.gz TVKNBENIOBYUKX-REPLKXPHSA-N 2 1 328.500 3.765 20 0 EHADMP COc1ccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001172112177 1137537777 /nfs/dbraw/zinc/53/77/77/1137537777.db2.gz TVKNBENIOBYUKX-REPLKXPHSA-N 2 1 328.500 3.765 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001172114787 1137538270 /nfs/dbraw/zinc/53/82/70/1137538270.db2.gz QMHZCKXLPCPVCU-MWDXBVQZSA-N 2 1 341.474 3.784 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3nc1C1CC[NH2+]CC1)C2 ZINC001172115722 1137538477 /nfs/dbraw/zinc/53/84/77/1137538477.db2.gz ZIUQCYIYJFAOPI-BCDXTJNWSA-N 2 1 338.499 3.691 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001172254342 1137544747 /nfs/dbraw/zinc/54/47/47/1137544747.db2.gz DQNBUVYFIYAAFR-OAQYLSRUSA-N 2 1 346.515 3.723 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001172254342 1137544748 /nfs/dbraw/zinc/54/47/48/1137544748.db2.gz DQNBUVYFIYAAFR-OAQYLSRUSA-N 2 1 346.515 3.723 20 0 EHADMP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000872019105 1137564872 /nfs/dbraw/zinc/56/48/72/1137564872.db2.gz SPBTZMPUCYDWGP-KRWDZBQOSA-N 2 1 344.421 3.730 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000872029507 1137566254 /nfs/dbraw/zinc/56/62/54/1137566254.db2.gz QWKBUOIHQMEKGS-SCTDSRPQSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCOC1 ZINC000872029507 1137566255 /nfs/dbraw/zinc/56/62/55/1137566255.db2.gz QWKBUOIHQMEKGS-SCTDSRPQSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872069286 1137569434 /nfs/dbraw/zinc/56/94/34/1137569434.db2.gz OLHTUCMRGIPLIW-QHAWAJNXSA-N 2 1 330.516 3.693 20 0 EHADMP CC1(C)CO[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106849 1137571545 /nfs/dbraw/zinc/57/15/45/1137571545.db2.gz VQNZSPYDFKNTLG-RTBURBONSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)CO[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000872106849 1137571546 /nfs/dbraw/zinc/57/15/46/1137571546.db2.gz VQNZSPYDFKNTLG-RTBURBONSA-N 2 1 328.500 3.588 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000872137675 1137573712 /nfs/dbraw/zinc/57/37/12/1137573712.db2.gz QQICOBCLCDPLQR-FCHUYYIVSA-N 2 1 338.495 3.753 20 0 EHADMP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158910 1137574609 /nfs/dbraw/zinc/57/46/09/1137574609.db2.gz ZEKRBUWAFYSNHJ-ZMSDIMECSA-N 2 1 334.508 3.874 20 0 EHADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158910 1137574610 /nfs/dbraw/zinc/57/46/10/1137574610.db2.gz ZEKRBUWAFYSNHJ-ZMSDIMECSA-N 2 1 334.508 3.874 20 0 EHADMP CC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC(F)(F)C1 ZINC000873197636 1137593723 /nfs/dbraw/zinc/59/37/23/1137593723.db2.gz KSQADGKCZNFYAU-UHFFFAOYSA-N 2 1 326.406 3.610 20 0 EHADMP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(s1)CC[NH2+]C3)CCC2 ZINC000873206813 1137594146 /nfs/dbraw/zinc/59/41/46/1137594146.db2.gz FVYJWPPEQTTZDO-OAHLLOKOSA-N 2 1 347.553 3.922 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000876624777 1137657411 /nfs/dbraw/zinc/65/74/11/1137657411.db2.gz JSQUIYNZSGKTPG-UHFFFAOYSA-N 2 1 329.463 3.926 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876719072 1137659547 /nfs/dbraw/zinc/65/95/47/1137659547.db2.gz CHVPCQDCQAGZQR-PQGVJJGYSA-N 2 1 341.499 3.555 20 0 EHADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CS1 ZINC000876865724 1137664152 /nfs/dbraw/zinc/66/41/52/1137664152.db2.gz GEGSLZJQGFGTBS-CRAIPNDOSA-N 2 1 333.545 3.771 20 0 EHADMP C[NH+](C)CC(C)(C)CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876893328 1137664657 /nfs/dbraw/zinc/66/46/57/1137664657.db2.gz GIMIDXFEPNZYKW-ICSRJNTNSA-N 2 1 329.532 3.532 20 0 EHADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876989425 1137667113 /nfs/dbraw/zinc/66/71/13/1137667113.db2.gz YUWHCFORQNKENA-HOTGVXAUSA-N 2 1 327.299 3.682 20 0 EHADMP CSC(C)(C)CC[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000877008755 1137667613 /nfs/dbraw/zinc/66/76/13/1137667613.db2.gz PEIICGSTHJORPR-UHFFFAOYSA-N 2 1 339.549 3.625 20 0 EHADMP Fc1cccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000877114976 1137670418 /nfs/dbraw/zinc/67/04/18/1137670418.db2.gz FYQZVFJKFIBVQP-LPHOPBHVSA-N 2 1 325.431 3.678 20 0 EHADMP CCC1([NH+](C)C)CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000877690679 1137685939 /nfs/dbraw/zinc/68/59/39/1137685939.db2.gz SUPAGUGMPUUXTE-UHFFFAOYSA-N 2 1 346.544 3.923 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4c(Cl)n3)C2)CC1 ZINC000878866554 1137730439 /nfs/dbraw/zinc/73/04/39/1137730439.db2.gz LVBQOUFLGOZEKO-UHFFFAOYSA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncc(Cl)cc1Cl)CC2 ZINC000879249853 1137742558 /nfs/dbraw/zinc/74/25/58/1137742558.db2.gz CSJWOVCLEFRZLX-UHFFFAOYSA-N 2 1 328.287 3.696 20 0 EHADMP Cc1cccc2c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)[nH]nc21 ZINC001137146330 1137757408 /nfs/dbraw/zinc/75/74/08/1137757408.db2.gz HEBGGCBYLXSVOZ-KRWDZBQOSA-N 2 1 326.488 3.712 20 0 EHADMP Cc1cccc2c(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)[nH]nc21 ZINC001137146330 1137757409 /nfs/dbraw/zinc/75/74/09/1137757409.db2.gz HEBGGCBYLXSVOZ-KRWDZBQOSA-N 2 1 326.488 3.712 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1 ZINC000130695116 1137840978 /nfs/dbraw/zinc/84/09/78/1137840978.db2.gz AHXKJXPLYPBCDT-HRAATJIYSA-N 2 1 335.451 3.873 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC4(CC4)C3)CC2)oc1C ZINC000883188914 1137847779 /nfs/dbraw/zinc/84/77/79/1137847779.db2.gz SXNAHHKXLXNGNB-GOSISDBHSA-N 2 1 331.504 3.816 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883379803 1137858214 /nfs/dbraw/zinc/85/82/14/1137858214.db2.gz PGTLKKICFVFQDT-HNNXBMFYSA-N 2 1 325.456 3.791 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)O2)cc1 ZINC000883424560 1137860316 /nfs/dbraw/zinc/86/03/16/1137860316.db2.gz WRMHWWVWUCFRPA-BQJUDKOJSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)O2)cc1 ZINC000883435274 1137860494 /nfs/dbraw/zinc/86/04/94/1137860494.db2.gz NTEGUYDEKHZYBQ-HKBOAZHASA-N 2 1 328.500 3.618 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000101726805 1137871362 /nfs/dbraw/zinc/87/13/62/1137871362.db2.gz LHILWBIFFGNNPS-UHFFFAOYSA-N 2 1 331.504 3.589 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264617 1137886829 /nfs/dbraw/zinc/88/68/29/1137886829.db2.gz NWABJZKVVRBWJK-ZBFHGGJFSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264617 1137886830 /nfs/dbraw/zinc/88/68/30/1137886830.db2.gz NWABJZKVVRBWJK-ZBFHGGJFSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264617 1137886831 /nfs/dbraw/zinc/88/68/31/1137886831.db2.gz NWABJZKVVRBWJK-ZBFHGGJFSA-N 2 1 331.435 3.631 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OCC ZINC000119727528 1137944131 /nfs/dbraw/zinc/94/41/31/1137944131.db2.gz SBJBLSCKNARZBS-OAHLLOKOSA-N 2 1 332.488 3.761 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000885922918 1138024785 /nfs/dbraw/zinc/02/47/85/1138024785.db2.gz LOGXDZHAGFJFFH-OAHLLOKOSA-N 2 1 326.488 3.548 20 0 EHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517454 1138088657 /nfs/dbraw/zinc/08/86/57/1138088657.db2.gz DTWSDADWMUDUAU-CTNGQTDRSA-N 2 1 340.515 3.619 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886628129 1138103797 /nfs/dbraw/zinc/10/37/97/1138103797.db2.gz GUCHTMVWNXAGNN-JRSUCEMESA-N 2 1 328.500 3.587 20 0 EHADMP COCC[C@H](c1ccccc1)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664600 1138111259 /nfs/dbraw/zinc/11/12/59/1138111259.db2.gz RGIFPQKNJLBJRX-LJQANCHMSA-N 2 1 327.472 3.984 20 0 EHADMP Cc1csc(C[C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000886691411 1138116376 /nfs/dbraw/zinc/11/63/76/1138116376.db2.gz DHSITAAGBMOGEM-QGZVFWFLSA-N 2 1 332.517 3.691 20 0 EHADMP Cc1csc(C[C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000886691411 1138116378 /nfs/dbraw/zinc/11/63/78/1138116378.db2.gz DHSITAAGBMOGEM-QGZVFWFLSA-N 2 1 332.517 3.691 20 0 EHADMP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089512974 1138200657 /nfs/dbraw/zinc/20/06/57/1138200657.db2.gz SKLVZAFAPPZDHO-KRWDZBQOSA-N 2 1 347.547 3.541 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)[C@H](C)C1 ZINC000090399930 1138210460 /nfs/dbraw/zinc/21/04/60/1138210460.db2.gz LLUGZIYSMCZIMS-QAPCUYQASA-N 2 1 343.540 3.981 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)nc1 ZINC000092821253 1138231948 /nfs/dbraw/zinc/23/19/48/1138231948.db2.gz SPMBOELPAGKIGY-UHFFFAOYSA-N 2 1 344.890 3.869 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000123947930 1138276496 /nfs/dbraw/zinc/27/64/96/1138276496.db2.gz FKCWBLPQJSKVCN-MRXNPFEDSA-N 2 1 340.467 3.760 20 0 EHADMP C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000124675042 1138292272 /nfs/dbraw/zinc/29/22/72/1138292272.db2.gz FXZUJDUGWKYVAV-IBGZPJMESA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124675042 1138292273 /nfs/dbraw/zinc/29/22/73/1138292273.db2.gz FXZUJDUGWKYVAV-IBGZPJMESA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124675042 1138292275 /nfs/dbraw/zinc/29/22/75/1138292275.db2.gz FXZUJDUGWKYVAV-IBGZPJMESA-N 2 1 334.467 3.517 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000348420418 1138305170 /nfs/dbraw/zinc/30/51/70/1138305170.db2.gz LJUQOLJHXLDDBY-CABCVRRESA-N 2 1 340.508 3.699 20 0 EHADMP CSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000348420418 1138305171 /nfs/dbraw/zinc/30/51/71/1138305171.db2.gz LJUQOLJHXLDDBY-CABCVRRESA-N 2 1 340.508 3.699 20 0 EHADMP C[N@@H+](Cc1ccccc1C[NH2+]CC1=CCCOC1)C1CCCCC1 ZINC000126707179 1138336793 /nfs/dbraw/zinc/33/67/93/1138336793.db2.gz WCPUPNQTHIOSND-UHFFFAOYSA-N 2 1 328.500 3.887 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000091589273 1138420860 /nfs/dbraw/zinc/42/08/60/1138420860.db2.gz RUHJQSFFMARNJB-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000091589273 1138420861 /nfs/dbraw/zinc/42/08/61/1138420861.db2.gz RUHJQSFFMARNJB-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589273 1138420862 /nfs/dbraw/zinc/42/08/62/1138420862.db2.gz RUHJQSFFMARNJB-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000091589273 1138420863 /nfs/dbraw/zinc/42/08/63/1138420863.db2.gz RUHJQSFFMARNJB-ZFWWWQNUSA-N 2 1 330.394 3.542 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000130723769 1138472025 /nfs/dbraw/zinc/47/20/25/1138472025.db2.gz NOCQWEPNDJZQQB-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000130723769 1138472027 /nfs/dbraw/zinc/47/20/27/1138472027.db2.gz NOCQWEPNDJZQQB-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1)C(C)C ZINC000337819743 1138675764 /nfs/dbraw/zinc/67/57/64/1138675764.db2.gz QDXINWMLIYSSRX-UHFFFAOYSA-N 2 1 334.533 3.747 20 0 EHADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000338011970 1138723253 /nfs/dbraw/zinc/72/32/53/1138723253.db2.gz KUUUQEHEFGMJCW-INIZCTEOSA-N 2 1 341.377 3.578 20 0 EHADMP CCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OCC ZINC000338257772 1138803802 /nfs/dbraw/zinc/80/38/02/1138803802.db2.gz VEDJJZAIQHVDFJ-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OCC ZINC000338257772 1138803807 /nfs/dbraw/zinc/80/38/07/1138803807.db2.gz VEDJJZAIQHVDFJ-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1)CC1CC1 ZINC000338284926 1138816953 /nfs/dbraw/zinc/81/69/53/1138816953.db2.gz UELSSAXKWCNWNA-AWEZNQCLSA-N 2 1 336.549 3.742 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1)CC1CC1 ZINC000338284926 1138816957 /nfs/dbraw/zinc/81/69/57/1138816957.db2.gz UELSSAXKWCNWNA-AWEZNQCLSA-N 2 1 336.549 3.742 20 0 EHADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151371348 1139028364 /nfs/dbraw/zinc/02/83/64/1139028364.db2.gz MNOWWCZICRCXPG-INIZCTEOSA-N 2 1 336.545 3.685 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000152431841 1139090833 /nfs/dbraw/zinc/09/08/33/1139090833.db2.gz IJBPJAFPRGOQOS-KKUMJFAQSA-N 2 1 329.513 3.862 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152472012 1139092824 /nfs/dbraw/zinc/09/28/24/1139092824.db2.gz FIGMFJNRMCESCT-NEPJUHHUSA-N 2 1 328.378 3.562 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152472012 1139092833 /nfs/dbraw/zinc/09/28/33/1139092833.db2.gz FIGMFJNRMCESCT-NEPJUHHUSA-N 2 1 328.378 3.562 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000177050888 1139594611 /nfs/dbraw/zinc/59/46/11/1139594611.db2.gz SUDFDUQSEPEETQ-UHFFFAOYSA-N 2 1 342.430 3.603 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000177050888 1139594621 /nfs/dbraw/zinc/59/46/21/1139594621.db2.gz SUDFDUQSEPEETQ-UHFFFAOYSA-N 2 1 342.430 3.603 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc2ccccc21 ZINC000177302737 1139611610 /nfs/dbraw/zinc/61/16/10/1139611610.db2.gz DKYCSBXIRCRKJB-GOSISDBHSA-N 2 1 325.500 3.518 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178097612 1139670318 /nfs/dbraw/zinc/67/03/18/1139670318.db2.gz KFOYVBFJUPRBHR-QQMNAOGKSA-N 2 1 336.545 3.729 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178701715 1139713107 /nfs/dbraw/zinc/71/31/07/1139713107.db2.gz QSDGGWSMJZVXOQ-HZPDHXFCSA-N 2 1 337.471 3.673 20 0 EHADMP COC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000181032912 1139880632 /nfs/dbraw/zinc/88/06/32/1139880632.db2.gz IZXRQBVGBKGZTA-UHFFFAOYSA-N 2 1 340.467 3.603 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(C(C)C)cc3)C2)CC1 ZINC000181858253 1139937235 /nfs/dbraw/zinc/93/72/35/1139937235.db2.gz JQTOISGESLLGJY-RXVVDRJESA-N 2 1 329.532 3.583 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000182232492 1139959336 /nfs/dbraw/zinc/95/93/36/1139959336.db2.gz XPYFMKODGGIAFY-HRAATJIYSA-N 2 1 342.458 3.633 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182259839 1139961410 /nfs/dbraw/zinc/96/14/10/1139961410.db2.gz FMCRTMFKPYNBOW-QAPCUYQASA-N 2 1 344.524 3.728 20 0 EHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000183192577 1140019640 /nfs/dbraw/zinc/01/96/40/1140019640.db2.gz CFPBUTCDFNYMJK-GPMSIDNRSA-N 2 1 343.515 3.949 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187066605 1140236167 /nfs/dbraw/zinc/23/61/67/1140236167.db2.gz HFHPHMIZORIIRO-GOSISDBHSA-N 2 1 334.529 3.541 20 0 EHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccc(F)c1 ZINC000188115157 1140283773 /nfs/dbraw/zinc/28/37/73/1140283773.db2.gz GOTINULCIMWWRU-IBGZPJMESA-N 2 1 342.462 3.942 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCO[C@@H](C4CC4)C2)C3)cc1 ZINC000193291843 1140570145 /nfs/dbraw/zinc/57/01/45/1140570145.db2.gz DSTATJRUUSKUHK-BLNMYQONSA-N 2 1 340.511 3.729 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H]3CCC=CO3)cc2)CC1 ZINC000194164777 1140600080 /nfs/dbraw/zinc/60/00/80/1140600080.db2.gz JZGQTRMGEIHHEK-FQEVSTJZSA-N 2 1 329.488 3.569 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000268861598 1141010566 /nfs/dbraw/zinc/01/05/66/1141010566.db2.gz MPTVRKPNSVUOOB-LLVKDONJSA-N 2 1 340.240 3.834 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000268867113 1141011664 /nfs/dbraw/zinc/01/16/64/1141011664.db2.gz UGLLJYPOAPVXLW-GOSISDBHSA-N 2 1 344.524 3.715 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)c1ccccc1 ZINC000268921523 1141025941 /nfs/dbraw/zinc/02/59/41/1141025941.db2.gz WVADOAGWNVBPMY-GOSISDBHSA-N 2 1 330.516 3.587 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268923243 1141026374 /nfs/dbraw/zinc/02/63/74/1141026374.db2.gz PHOFZEFKFGXOOA-STZQEDGTSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cn1 ZINC000269850844 1141150299 /nfs/dbraw/zinc/15/02/99/1141150299.db2.gz FTPWQIYPCLYGCI-KRWDZBQOSA-N 2 1 340.377 3.631 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270339293 1141208955 /nfs/dbraw/zinc/20/89/55/1141208955.db2.gz OBYLDEDKMIOQPW-CXAGYDPISA-N 2 1 345.314 3.691 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000271050218 1141300725 /nfs/dbraw/zinc/30/07/25/1141300725.db2.gz VFIYVFDBNCLOOZ-UHFFFAOYSA-N 2 1 330.451 3.520 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000271050218 1141300730 /nfs/dbraw/zinc/30/07/30/1141300730.db2.gz VFIYVFDBNCLOOZ-UHFFFAOYSA-N 2 1 330.451 3.520 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000271440642 1141368235 /nfs/dbraw/zinc/36/82/35/1141368235.db2.gz CICZGEISFQLWED-QAPCUYQASA-N 2 1 325.456 3.933 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000271504025 1141382259 /nfs/dbraw/zinc/38/22/59/1141382259.db2.gz MNVYQZUFJKXKNF-KFKAGJAMSA-N 2 1 342.483 3.851 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271536651 1141390782 /nfs/dbraw/zinc/39/07/82/1141390782.db2.gz XSZLWOAPOLNJPX-VLIAUNLRSA-N 2 1 339.414 3.704 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548227 1141394397 /nfs/dbraw/zinc/39/43/97/1141394397.db2.gz UNLXGVVVAYMCPS-IGNZVWTISA-N 2 1 340.870 3.508 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(C[NH+](C)C)CC2)nc1 ZINC001165042952 721950973 /nfs/dbraw/zinc/95/09/73/721950973.db2.gz UFOMJSKUVYAFRR-HXUWFJFHSA-N 2 1 344.547 3.797 20 0 EHADMP Fc1ccc(C(F)(F)F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168358326 1032066247 /nfs/dbraw/zinc/06/62/47/1032066247.db2.gz RUUWAOHRRUNWFQ-UHFFFAOYSA-N 2 1 330.369 3.809 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cnc(CCc3ccccc3)s2)CC[N@H+]1C ZINC000449032084 1032071355 /nfs/dbraw/zinc/07/13/55/1032071355.db2.gz WOQBZJQPTKJMGL-WMZOPIPTSA-N 2 1 343.540 3.843 20 0 EHADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459407082 1032073214 /nfs/dbraw/zinc/07/32/14/1032073214.db2.gz DRXLWPKGJGJFBG-SFHVURJKSA-N 3 1 344.547 3.541 20 0 EHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459407082 1032073224 /nfs/dbraw/zinc/07/32/24/1032073224.db2.gz DRXLWPKGJGJFBG-SFHVURJKSA-N 3 1 344.547 3.541 20 0 EHADMP Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683109171 1014336234 /nfs/dbraw/zinc/33/62/34/1014336234.db2.gz PKNIBKXUWCVQQF-UHFFFAOYSA-N 2 1 330.447 3.707 20 0 EHADMP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000339409453 1014372907 /nfs/dbraw/zinc/37/29/07/1014372907.db2.gz YVYNYKPMVAFQGQ-UHFFFAOYSA-N 2 1 348.494 3.747 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437326 1014451700 /nfs/dbraw/zinc/45/17/00/1014451700.db2.gz NPXJKQCDFIGDEA-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437326 1014451706 /nfs/dbraw/zinc/45/17/06/1014451706.db2.gz NPXJKQCDFIGDEA-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437326 1014451712 /nfs/dbraw/zinc/45/17/12/1014451712.db2.gz NPXJKQCDFIGDEA-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437326 1014451720 /nfs/dbraw/zinc/45/17/20/1014451720.db2.gz NPXJKQCDFIGDEA-LJQANCHMSA-N 2 1 329.875 3.806 20 0 EHADMP CC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000339490969 1014579186 /nfs/dbraw/zinc/57/91/86/1014579186.db2.gz SWQCCUSWVZTSOW-AZUAARDMSA-N 2 1 330.516 3.551 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025181 1032098891 /nfs/dbraw/zinc/09/88/91/1032098891.db2.gz AONQHXLMQHNMMU-WMZOPIPTSA-N 2 1 332.488 3.543 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025181 1032098903 /nfs/dbraw/zinc/09/89/03/1032098903.db2.gz AONQHXLMQHNMMU-WMZOPIPTSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025181 1032098922 /nfs/dbraw/zinc/09/89/22/1032098922.db2.gz AONQHXLMQHNMMU-WMZOPIPTSA-N 2 1 332.488 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCCCO3)C[C@@H]1C ZINC000449025181 1032098937 /nfs/dbraw/zinc/09/89/37/1032098937.db2.gz AONQHXLMQHNMMU-WMZOPIPTSA-N 2 1 332.488 3.543 20 0 EHADMP C[C@@H]1CSCC[N@H+]1Cc1cccc(C[NH+]2CCSC[C@@H]2C)c1 ZINC000343732947 1032101127 /nfs/dbraw/zinc/10/11/27/1032101127.db2.gz CPLAPLLOGUPYBN-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H]1CSCC[NH+]1Cc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000343732947 1032101134 /nfs/dbraw/zinc/10/11/34/1032101134.db2.gz CPLAPLLOGUPYBN-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP C[C@@H]1CSCC[NH+]1Cc1cccc(C[N@H+]2CCSC[C@@H]2C)c1 ZINC000343732947 1032101142 /nfs/dbraw/zinc/10/11/42/1032101142.db2.gz CPLAPLLOGUPYBN-IYBDPMFKSA-N 2 1 336.570 3.561 20 0 EHADMP CCc1noc(CC)c1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740688 1014741952 /nfs/dbraw/zinc/74/19/52/1014741952.db2.gz AENVFSQLVXOMDF-AEFFLSMTSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274740688 1014741967 /nfs/dbraw/zinc/74/19/67/1014741967.db2.gz AENVFSQLVXOMDF-AEFFLSMTSA-N 2 1 341.499 3.800 20 0 EHADMP CCc1noc(CC)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274740688 1014741976 /nfs/dbraw/zinc/74/19/76/1014741976.db2.gz AENVFSQLVXOMDF-AEFFLSMTSA-N 2 1 341.499 3.800 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603605 1015056587 /nfs/dbraw/zinc/05/65/87/1015056587.db2.gz FSWCVYUTRSPBQU-PBHICJAKSA-N 2 1 337.305 3.928 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603605 1015056592 /nfs/dbraw/zinc/05/65/92/1015056592.db2.gz FSWCVYUTRSPBQU-PBHICJAKSA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603605 1015056599 /nfs/dbraw/zinc/05/65/99/1015056599.db2.gz FSWCVYUTRSPBQU-PBHICJAKSA-N 2 1 337.305 3.928 20 0 EHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001208603605 1015056607 /nfs/dbraw/zinc/05/66/07/1015056607.db2.gz FSWCVYUTRSPBQU-PBHICJAKSA-N 2 1 337.305 3.928 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000154518156 1015517052 /nfs/dbraw/zinc/51/70/52/1015517052.db2.gz SKICQLJANZOHHP-GHTZIAJQSA-N 2 1 329.532 3.632 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000154541195 1015540881 /nfs/dbraw/zinc/54/08/81/1015540881.db2.gz PDLDEJSNYBZJKE-QGZVFWFLSA-N 2 1 329.488 3.501 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000129296541 1015999123 /nfs/dbraw/zinc/99/91/23/1015999123.db2.gz GLLLBPLBGKBRDW-UHFFFAOYSA-N 2 1 344.421 3.730 20 0 EHADMP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459451716 1032139726 /nfs/dbraw/zinc/13/97/26/1032139726.db2.gz QQLUPZUNACJNIR-NHCUHLMSSA-N 2 1 328.500 3.901 20 0 EHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904573601 1032140429 /nfs/dbraw/zinc/14/04/29/1032140429.db2.gz YZYFARJCWHAWLS-HNNXBMFYSA-N 2 1 346.519 3.512 20 0 EHADMP c1ccc([C@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000275435462 1016771409 /nfs/dbraw/zinc/77/14/09/1016771409.db2.gz DJRNSTNZGZSPDQ-PMACEKPBSA-N 2 1 328.500 3.557 20 0 EHADMP COc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001167254973 1016781502 /nfs/dbraw/zinc/78/15/02/1016781502.db2.gz CFOGTZFLJABIDE-IBGZPJMESA-N 2 1 346.515 3.518 20 0 EHADMP COc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001167254973 1016781514 /nfs/dbraw/zinc/78/15/14/1016781514.db2.gz CFOGTZFLJABIDE-IBGZPJMESA-N 2 1 346.515 3.518 20 0 EHADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)cc1 ZINC000275444800 1016795090 /nfs/dbraw/zinc/79/50/90/1016795090.db2.gz KOALZDCLFYIUQM-GOSISDBHSA-N 2 1 340.471 3.878 20 0 EHADMP CC(C)N(Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC001167259314 1016837371 /nfs/dbraw/zinc/83/73/71/1016837371.db2.gz PRCQAYUUKNCOTI-QGZVFWFLSA-N 2 1 346.437 3.617 20 0 EHADMP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC001167259314 1016837384 /nfs/dbraw/zinc/83/73/84/1016837384.db2.gz PRCQAYUUKNCOTI-QGZVFWFLSA-N 2 1 346.437 3.617 20 0 EHADMP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[N@H+](C)C(C)C ZINC001167259314 1016837399 /nfs/dbraw/zinc/83/73/99/1016837399.db2.gz PRCQAYUUKNCOTI-QGZVFWFLSA-N 2 1 346.437 3.617 20 0 EHADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001167259314 1016837412 /nfs/dbraw/zinc/83/74/12/1016837412.db2.gz PRCQAYUUKNCOTI-QGZVFWFLSA-N 2 1 346.437 3.617 20 0 EHADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275493430 1016918418 /nfs/dbraw/zinc/91/84/18/1016918418.db2.gz JECIPJUULQOMKT-CHWSQXEVSA-N 2 1 338.282 3.973 20 0 EHADMP C[C@H](CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831381 1016994445 /nfs/dbraw/zinc/99/44/45/1016994445.db2.gz VUSXUXWLNLOXFC-URVUXULASA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831381 1016994462 /nfs/dbraw/zinc/99/44/62/1016994462.db2.gz VUSXUXWLNLOXFC-URVUXULASA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000547831381 1016994476 /nfs/dbraw/zinc/99/44/76/1016994476.db2.gz VUSXUXWLNLOXFC-URVUXULASA-N 3 1 343.559 3.751 20 0 EHADMP CC(C)[N@@H+](C)CCCNCc1cnc(CCc2ccccc2)s1 ZINC000449079051 1032169690 /nfs/dbraw/zinc/16/96/90/1032169690.db2.gz ZBXJOLBMMWKILM-UHFFFAOYSA-N 2 1 331.529 3.748 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379616146 1032173958 /nfs/dbraw/zinc/17/39/58/1032173958.db2.gz BRFKWXNGQLYWFG-ZWKOTPCHSA-N 2 1 326.484 3.823 20 0 EHADMP CCOc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc(Cl)c1O ZINC000459474047 1032190708 /nfs/dbraw/zinc/19/07/08/1032190708.db2.gz DZYNNLHSVHIUPA-AWEZNQCLSA-N 2 1 340.895 3.798 20 0 EHADMP c1nc(CCc2ccccc2)sc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449089911 1032194300 /nfs/dbraw/zinc/19/43/00/1032194300.db2.gz LTULANYCFJETBL-ZWKOTPCHSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449089911 1032194307 /nfs/dbraw/zinc/19/43/07/1032194307.db2.gz LTULANYCFJETBL-ZWKOTPCHSA-N 2 1 341.524 3.645 20 0 EHADMP c1nc(CCc2ccccc2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449089911 1032194309 /nfs/dbraw/zinc/19/43/09/1032194309.db2.gz LTULANYCFJETBL-ZWKOTPCHSA-N 2 1 341.524 3.645 20 0 EHADMP CSCC1CCC([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000449139128 1032242570 /nfs/dbraw/zinc/24/25/70/1032242570.db2.gz FMVUFWZZTCBMEV-UHFFFAOYSA-N 2 1 333.545 3.870 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccoc3)CC2)cs1 ZINC000449147151 1032249644 /nfs/dbraw/zinc/24/96/44/1032249644.db2.gz FPBYBMMWZNJPFJ-OAHLLOKOSA-N 2 1 347.528 3.731 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000081632070 1032355941 /nfs/dbraw/zinc/35/59/41/1032355941.db2.gz MWHXTNBTEXCTGA-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632070 1032355943 /nfs/dbraw/zinc/35/59/43/1032355943.db2.gz MWHXTNBTEXCTGA-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632070 1032355950 /nfs/dbraw/zinc/35/59/50/1032355950.db2.gz MWHXTNBTEXCTGA-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632070 1032355957 /nfs/dbraw/zinc/35/59/57/1032355957.db2.gz MWHXTNBTEXCTGA-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000081632070 1032355961 /nfs/dbraw/zinc/35/59/61/1032355961.db2.gz MWHXTNBTEXCTGA-INIZCTEOSA-N 2 1 327.447 3.538 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000037197206 1122173426 /nfs/dbraw/zinc/17/34/26/1122173426.db2.gz WOCKDSLETMSFPC-LLVKDONJSA-N 2 1 331.273 3.827 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905135119 1032359423 /nfs/dbraw/zinc/35/94/23/1032359423.db2.gz VHQFLWKJHXGRAX-MRXNPFEDSA-N 2 1 342.270 3.602 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@H](C)C1 ZINC000536882750 1032387902 /nfs/dbraw/zinc/38/79/02/1032387902.db2.gz MSGOTHOTVNWFRY-VQIMIIECSA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@H](C)C1 ZINC000536882750 1032387912 /nfs/dbraw/zinc/38/79/12/1032387912.db2.gz MSGOTHOTVNWFRY-VQIMIIECSA-N 2 1 346.515 3.837 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000083474223 1032395750 /nfs/dbraw/zinc/39/57/50/1032395750.db2.gz BJAJTRVCHWLULD-MAUKXSAKSA-N 2 1 329.875 3.878 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000083474223 1032395760 /nfs/dbraw/zinc/39/57/60/1032395760.db2.gz BJAJTRVCHWLULD-MAUKXSAKSA-N 2 1 329.875 3.878 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459723601 1032431619 /nfs/dbraw/zinc/43/16/19/1032431619.db2.gz AGRHZZGNEQRNQW-BRWVUGGUSA-N 2 1 334.504 3.517 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000459735782 1032438818 /nfs/dbraw/zinc/43/88/18/1032438818.db2.gz PQGDFZLOEPMADH-KRWDZBQOSA-N 2 1 349.950 3.626 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459772392 1032462527 /nfs/dbraw/zinc/46/25/27/1032462527.db2.gz ILRUYYLYPYHRSI-GOSISDBHSA-N 2 1 338.499 3.671 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCC3CCOCC3)CC2)cc1 ZINC000449353329 1032491687 /nfs/dbraw/zinc/49/16/87/1032491687.db2.gz ABXCLLFVMLWGND-UHFFFAOYSA-N 2 1 348.506 3.629 20 0 EHADMP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657859163 1032526964 /nfs/dbraw/zinc/52/69/64/1032526964.db2.gz QGLDRLRCXSJMFO-QNGMFEMESA-N 2 1 330.516 3.836 20 0 EHADMP COc1cccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627584 1032524025 /nfs/dbraw/zinc/52/40/25/1032524025.db2.gz WAFMJQRFHNIBPW-IBGZPJMESA-N 2 1 327.472 3.716 20 0 EHADMP COc1cccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3C)CC2(C)C)c1 ZINC000528627584 1032524029 /nfs/dbraw/zinc/52/40/29/1032524029.db2.gz WAFMJQRFHNIBPW-IBGZPJMESA-N 2 1 327.472 3.716 20 0 EHADMP CCOCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000090722461 1032594487 /nfs/dbraw/zinc/59/44/87/1032594487.db2.gz YDOFGSUJKUJDNF-UHFFFAOYSA-N 2 1 348.506 3.629 20 0 EHADMP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000537304831 1032608688 /nfs/dbraw/zinc/60/86/88/1032608688.db2.gz WIBNBPFZVXOOBU-PYTPGESOSA-N 2 1 328.500 3.814 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131009764 1123030947 /nfs/dbraw/zinc/03/09/47/1123030947.db2.gz VAGUGSFAJNDWPA-NSHDSACASA-N 2 1 329.257 3.723 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000091319397 1032685125 /nfs/dbraw/zinc/68/51/25/1032685125.db2.gz IEOWEWMSPHJOIE-IFMALSPDSA-N 2 1 337.511 3.933 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000892737296 1017275354 /nfs/dbraw/zinc/27/53/54/1017275354.db2.gz ASCUQQSPZNXWKE-ADKAHSJRSA-N 2 1 336.545 3.755 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000892737296 1017275364 /nfs/dbraw/zinc/27/53/64/1017275364.db2.gz ASCUQQSPZNXWKE-ADKAHSJRSA-N 2 1 336.545 3.755 20 0 EHADMP CCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000340404015 1017406524 /nfs/dbraw/zinc/40/65/24/1017406524.db2.gz UZVWVTWUXCZNPQ-IRXDYDNUSA-N 2 1 334.504 3.552 20 0 EHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000415115688 1017573329 /nfs/dbraw/zinc/57/33/29/1017573329.db2.gz XDQPBTXMZPJOBW-GXTWGEPZSA-N 2 1 349.327 3.773 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCCC(C)C ZINC000415132332 1017597707 /nfs/dbraw/zinc/59/77/07/1017597707.db2.gz UACVJRGALYPGBP-AEFFLSMTSA-N 2 1 334.504 3.537 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC(C)C ZINC000340419973 1017707525 /nfs/dbraw/zinc/70/75/25/1017707525.db2.gz ZLRISNZBDWVKEC-MOPGFXCFSA-N 2 1 346.515 3.837 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC(C)C ZINC000340419973 1017707534 /nfs/dbraw/zinc/70/75/34/1017707534.db2.gz ZLRISNZBDWVKEC-MOPGFXCFSA-N 2 1 346.515 3.837 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCCO1 ZINC000655850549 1017772800 /nfs/dbraw/zinc/77/28/00/1017772800.db2.gz WUVPRFBAJBKMMC-RTWAWAEBSA-N 2 1 348.506 3.770 20 0 EHADMP Cc1nc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)sc1C ZINC000893017921 1018172704 /nfs/dbraw/zinc/17/27/04/1018172704.db2.gz BEMOIQVRYHQWKO-PBHICJAKSA-N 2 1 335.542 3.994 20 0 EHADMP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000574226273 1032746841 /nfs/dbraw/zinc/74/68/41/1032746841.db2.gz WKXFNFMLAJRGLB-NBYUQASBSA-N 2 1 329.532 3.578 20 0 EHADMP Cc1ccc(-c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)s2)o1 ZINC000092043626 1032758032 /nfs/dbraw/zinc/75/80/32/1032758032.db2.gz OBDFWAMTNZMLQH-ZBFHGGJFSA-N 2 1 331.485 3.628 20 0 EHADMP Cc1ccc(-c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)s2)o1 ZINC000092043626 1032758041 /nfs/dbraw/zinc/75/80/41/1032758041.db2.gz OBDFWAMTNZMLQH-ZBFHGGJFSA-N 2 1 331.485 3.628 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)s2)o1 ZINC000092043626 1032758055 /nfs/dbraw/zinc/75/80/55/1032758055.db2.gz OBDFWAMTNZMLQH-ZBFHGGJFSA-N 2 1 331.485 3.628 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)s2)o1 ZINC000092043626 1032758069 /nfs/dbraw/zinc/75/80/69/1032758069.db2.gz OBDFWAMTNZMLQH-ZBFHGGJFSA-N 2 1 331.485 3.628 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000377886269 1018515663 /nfs/dbraw/zinc/51/56/63/1018515663.db2.gz ZVRJXDMSCBYUPQ-UHFFFAOYSA-N 2 1 343.500 3.809 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000377886269 1018515674 /nfs/dbraw/zinc/51/56/74/1018515674.db2.gz ZVRJXDMSCBYUPQ-UHFFFAOYSA-N 2 1 343.500 3.809 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449550308 1032776787 /nfs/dbraw/zinc/77/67/87/1032776787.db2.gz COKVWSBGDKUDRT-NJDAHSKKSA-N 2 1 344.543 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449550308 1032776801 /nfs/dbraw/zinc/77/68/01/1032776801.db2.gz COKVWSBGDKUDRT-NJDAHSKKSA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449550308 1032776817 /nfs/dbraw/zinc/77/68/17/1032776817.db2.gz COKVWSBGDKUDRT-NJDAHSKKSA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449550308 1032776833 /nfs/dbraw/zinc/77/68/33/1032776833.db2.gz COKVWSBGDKUDRT-NJDAHSKKSA-N 2 1 344.543 3.628 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449550310 1032777814 /nfs/dbraw/zinc/77/78/14/1032777814.db2.gz COKVWSBGDKUDRT-QHAWAJNXSA-N 2 1 344.543 3.628 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449550310 1032777829 /nfs/dbraw/zinc/77/78/29/1032777829.db2.gz COKVWSBGDKUDRT-QHAWAJNXSA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449550310 1032777843 /nfs/dbraw/zinc/77/78/43/1032777843.db2.gz COKVWSBGDKUDRT-QHAWAJNXSA-N 2 1 344.543 3.628 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449550310 1032777851 /nfs/dbraw/zinc/77/78/51/1032777851.db2.gz COKVWSBGDKUDRT-QHAWAJNXSA-N 2 1 344.543 3.628 20 0 EHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC(F)(F)F ZINC000396875594 1032785453 /nfs/dbraw/zinc/78/54/53/1032785453.db2.gz DNBJLOJVISVSRT-OAHLLOKOSA-N 2 1 328.422 3.872 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CCCCC2)cc1 ZINC000325824980 1018930428 /nfs/dbraw/zinc/93/04/28/1018930428.db2.gz NQDVHQSGDVFACK-HBMCJLEFSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CCCCC2)cc1 ZINC000325824980 1018930437 /nfs/dbraw/zinc/93/04/37/1018930437.db2.gz NQDVHQSGDVFACK-HBMCJLEFSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143379911 1018952758 /nfs/dbraw/zinc/95/27/58/1018952758.db2.gz GONSQHNLYZULCU-UHFFFAOYSA-N 2 1 327.447 3.885 20 0 EHADMP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000580305004 1018964116 /nfs/dbraw/zinc/96/41/16/1018964116.db2.gz IILRWQXRXNNQGM-MRXNPFEDSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160465076 1019107230 /nfs/dbraw/zinc/10/72/30/1019107230.db2.gz RJGQAEIYLJRYQR-INIZCTEOSA-N 2 1 336.545 3.529 20 0 EHADMP c1ccc(COCCCCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727994 1019192361 /nfs/dbraw/zinc/19/23/61/1019192361.db2.gz ZUICJNWLABHFRQ-UHFFFAOYSA-N 2 1 330.516 3.839 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167936993 1019237585 /nfs/dbraw/zinc/23/75/85/1019237585.db2.gz QIEZPZLQQKTSCY-IVAOSVALSA-N 2 1 340.511 3.540 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513239430 1019467547 /nfs/dbraw/zinc/46/75/47/1019467547.db2.gz YEGQGSBIKJUWQG-VLCRHTCISA-N 2 1 338.495 3.753 20 0 EHADMP C[C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513239430 1019467550 /nfs/dbraw/zinc/46/75/50/1019467550.db2.gz YEGQGSBIKJUWQG-VLCRHTCISA-N 2 1 338.495 3.753 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000155766010 1019524259 /nfs/dbraw/zinc/52/42/59/1019524259.db2.gz DVQUAELUQDNBSE-LAUBAEHRSA-N 2 1 340.515 3.893 20 0 EHADMP Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752960 1019566210 /nfs/dbraw/zinc/56/62/10/1019566210.db2.gz DRVGDSDYPOSCRR-VQIMIIECSA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752960 1019566223 /nfs/dbraw/zinc/56/62/23/1019566223.db2.gz DRVGDSDYPOSCRR-VQIMIIECSA-N 2 1 345.531 3.770 20 0 EHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](C)CC3CCOCC3)C1)CCCC2 ZINC000433752960 1019566236 /nfs/dbraw/zinc/56/62/36/1019566236.db2.gz DRVGDSDYPOSCRR-VQIMIIECSA-N 2 1 345.531 3.770 20 0 EHADMP COc1cc(-c2ccccc2)ccc1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000513379839 1019582118 /nfs/dbraw/zinc/58/21/18/1019582118.db2.gz YFMGZFZWQUITJP-GHTZIAJQSA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000513379839 1019582126 /nfs/dbraw/zinc/58/21/26/1019582126.db2.gz YFMGZFZWQUITJP-GHTZIAJQSA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000513379839 1019582141 /nfs/dbraw/zinc/58/21/41/1019582141.db2.gz YFMGZFZWQUITJP-GHTZIAJQSA-N 2 1 336.479 3.888 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000894225119 1019633123 /nfs/dbraw/zinc/63/31/23/1019633123.db2.gz ABBSTIHYXGDZAV-FQEVSTJZSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(F)ncc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000894225119 1019633135 /nfs/dbraw/zinc/63/31/35/1019633135.db2.gz ABBSTIHYXGDZAV-FQEVSTJZSA-N 2 1 327.447 3.531 20 0 EHADMP CN(C)c1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000684005267 1019765588 /nfs/dbraw/zinc/76/55/88/1019765588.db2.gz PDTAHRVZFTWNOB-UHFFFAOYSA-N 2 1 338.499 3.665 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCF)C[C@H](C)O1 ZINC000513683051 1019933960 /nfs/dbraw/zinc/93/39/60/1019933960.db2.gz FRXWCXPVRVYLID-TWFHAPMSSA-N 2 1 348.506 3.914 20 0 EHADMP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000580759800 1019990196 /nfs/dbraw/zinc/99/01/96/1019990196.db2.gz RWYGKXGQLOYPOQ-UHFFFAOYSA-N 2 1 335.495 3.846 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000581017928 1020361183 /nfs/dbraw/zinc/36/11/83/1020361183.db2.gz OXAOZYAQUZDXKJ-HKBOAZHASA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430549496 1020640223 /nfs/dbraw/zinc/64/02/23/1020640223.db2.gz XVWOGDADPOAPAY-SJLPKXTDSA-N 2 1 334.467 3.561 20 0 EHADMP CCOc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)cc1OCC ZINC000341015865 1020859354 /nfs/dbraw/zinc/85/93/54/1020859354.db2.gz MTZKSKFBROQMDI-HXUWFJFHSA-N 2 1 345.487 3.976 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179216 1021046531 /nfs/dbraw/zinc/04/65/31/1021046531.db2.gz FXAXDJAJEGIAQZ-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426327690 1021271749 /nfs/dbraw/zinc/27/17/49/1021271749.db2.gz VNWTYNCFDBBYDI-MRXNPFEDSA-N 2 1 337.305 3.756 20 0 EHADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000507489560 1021305305 /nfs/dbraw/zinc/30/53/05/1021305305.db2.gz XNPNBNHQDWYWLX-AZUAARDMSA-N 2 1 337.511 3.859 20 0 EHADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000507489560 1021305321 /nfs/dbraw/zinc/30/53/21/1021305321.db2.gz XNPNBNHQDWYWLX-AZUAARDMSA-N 2 1 337.511 3.859 20 0 EHADMP Fc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656784433 1021335461 /nfs/dbraw/zinc/33/54/61/1021335461.db2.gz DDPLGHOPFSANDS-OAHLLOKOSA-N 2 1 342.405 3.639 20 0 EHADMP C[C@@H](c1cnccn1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000341306569 1021406601 /nfs/dbraw/zinc/40/66/01/1021406601.db2.gz XINSMPQNPQWKIH-SFHVURJKSA-N 2 1 336.483 3.526 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000426403687 1021485468 /nfs/dbraw/zinc/48/54/68/1021485468.db2.gz LMUOAKWZIQUIFK-UHFFFAOYSA-N 2 1 331.423 3.689 20 0 EHADMP C[C@H](CC[NH3+])[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414897594 1021516677 /nfs/dbraw/zinc/51/66/77/1021516677.db2.gz RWGFTUPNCZFUPY-SNVBAGLBSA-N 2 1 329.391 3.656 20 0 EHADMP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564911777 1021641237 /nfs/dbraw/zinc/64/12/37/1021641237.db2.gz LIQZAYZGCQALCG-OALUTQOASA-N 2 1 329.532 3.756 20 0 EHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)s1 ZINC000572613928 1021783540 /nfs/dbraw/zinc/78/35/40/1021783540.db2.gz QSNROZAWRFXVDP-JTQLQIEISA-N 2 1 328.279 3.528 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000188107529 1021820773 /nfs/dbraw/zinc/82/07/73/1021820773.db2.gz VKDYPZKFYHUIJT-ZDUSSCGKSA-N 2 1 337.305 3.597 20 0 EHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441195533 1022046924 /nfs/dbraw/zinc/04/69/24/1022046924.db2.gz KZZODBMSEHDMQB-BVYCBKJFSA-N 2 1 338.495 3.832 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000519420686 1022079660 /nfs/dbraw/zinc/07/96/60/1022079660.db2.gz MUPPZPJYKWXMAH-UHFFFAOYSA-N 2 1 340.496 3.842 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166562 1022085446 /nfs/dbraw/zinc/08/54/46/1022085446.db2.gz JDWLUBGHTIPIMQ-HUUCEWRRSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166562 1022085461 /nfs/dbraw/zinc/08/54/61/1022085461.db2.gz JDWLUBGHTIPIMQ-HUUCEWRRSA-N 2 1 344.421 3.857 20 0 EHADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000520289626 1022101235 /nfs/dbraw/zinc/10/12/35/1022101235.db2.gz JBGLHGMFBYFVHN-HXUWFJFHSA-N 2 1 330.516 3.885 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc2ccccc2c1 ZINC000441261166 1022107635 /nfs/dbraw/zinc/10/76/35/1022107635.db2.gz HINQOONIZSZRDY-BHIFYINESA-N 2 1 338.495 3.566 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192024 1022139038 /nfs/dbraw/zinc/13/90/38/1022139038.db2.gz MFIROPYTIYTJQL-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192024 1022139043 /nfs/dbraw/zinc/13/90/43/1022139043.db2.gz MFIROPYTIYTJQL-YZGWKJHDSA-N 2 1 328.500 3.588 20 0 EHADMP CCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167967103 1022176883 /nfs/dbraw/zinc/17/68/83/1022176883.db2.gz BNGIJRPTWRVIIU-IHWFROFDSA-N 2 1 328.500 3.970 20 0 EHADMP OC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000574321575 1033039447 /nfs/dbraw/zinc/03/94/47/1033039447.db2.gz JSSVZOWDZKAIBO-RTWAWAEBSA-N 2 1 336.479 3.507 20 0 EHADMP CCc1cc(N2CC[NH+](Cc3cccnc3)CC2)c2ccccc2[nH+]1 ZINC000123335538 1022331676 /nfs/dbraw/zinc/33/16/76/1022331676.db2.gz LEOSIKOJZBLLPF-UHFFFAOYSA-N 2 1 332.451 3.514 20 0 EHADMP COC1CCC(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000894490597 1022398251 /nfs/dbraw/zinc/39/82/51/1022398251.db2.gz QRXTWNIHMZGPBU-UHFFFAOYSA-N 2 1 330.516 3.788 20 0 EHADMP COC1CCC(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000894490597 1022398265 /nfs/dbraw/zinc/39/82/65/1022398265.db2.gz QRXTWNIHMZGPBU-UHFFFAOYSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977086 1022411672 /nfs/dbraw/zinc/41/16/72/1022411672.db2.gz XSTXATBXBNJHGY-QLFBSQMISA-N 2 1 346.500 3.571 20 0 EHADMP c1ccc(COC[C@H]2CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995852 1022503436 /nfs/dbraw/zinc/50/34/36/1022503436.db2.gz SFLBGMSPVUPGEE-NJDFBWEVSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(COC[C@H]2CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995852 1022503442 /nfs/dbraw/zinc/50/34/42/1022503442.db2.gz SFLBGMSPVUPGEE-NJDFBWEVSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(COC[C@H]2CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167995852 1022503449 /nfs/dbraw/zinc/50/34/49/1022503449.db2.gz SFLBGMSPVUPGEE-NJDFBWEVSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(COC[C@H]2CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167995852 1022503459 /nfs/dbraw/zinc/50/34/59/1022503459.db2.gz SFLBGMSPVUPGEE-NJDFBWEVSA-N 2 1 340.511 3.683 20 0 EHADMP CC1CCN(C(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000341623071 1022590124 /nfs/dbraw/zinc/59/01/24/1022590124.db2.gz DLJKPZWTXGIMDX-GOSISDBHSA-N 2 1 342.531 3.817 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261950835 1022623715 /nfs/dbraw/zinc/62/37/15/1022623715.db2.gz FWIRPRHZZWCDSG-UHFFFAOYSA-N 2 1 329.271 3.578 20 0 EHADMP CCOc1cc(F)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001143575133 1022755659 /nfs/dbraw/zinc/75/56/59/1022755659.db2.gz PHGMQHXWRFRUIO-UHFFFAOYSA-N 2 1 340.458 3.916 20 0 EHADMP CCOc1cc(F)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001143575133 1022755666 /nfs/dbraw/zinc/75/56/66/1022755666.db2.gz PHGMQHXWRFRUIO-UHFFFAOYSA-N 2 1 340.458 3.916 20 0 EHADMP CCCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000341654711 1022832348 /nfs/dbraw/zinc/83/23/48/1022832348.db2.gz GEPGCKXJRDDIEN-OAHLLOKOSA-N 2 1 331.460 3.730 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414941923 1022933236 /nfs/dbraw/zinc/93/32/36/1022933236.db2.gz CWLBWYYTRQMGSF-ZFWWWQNUSA-N 2 1 340.895 3.758 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1O ZINC000426172763 1023040181 /nfs/dbraw/zinc/04/01/81/1023040181.db2.gz CKHOBYUMXMANEJ-APWZRJJASA-N 2 1 346.515 3.576 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1O ZINC000426172763 1023040191 /nfs/dbraw/zinc/04/01/91/1023040191.db2.gz CKHOBYUMXMANEJ-APWZRJJASA-N 2 1 346.515 3.576 20 0 EHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000414972111 1023176422 /nfs/dbraw/zinc/17/64/22/1023176422.db2.gz LZNFQRUIJKLCMU-ZDUSSCGKSA-N 2 1 331.685 3.580 20 0 EHADMP C[N@H+](Cc1cc(F)cc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350272990 1023180549 /nfs/dbraw/zinc/18/05/49/1023180549.db2.gz YYHLASAJZMCZPN-UHFFFAOYSA-N 2 1 331.410 3.708 20 0 EHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414981515 1023279726 /nfs/dbraw/zinc/27/97/26/1023279726.db2.gz XXQYNSCWPUOVJT-JTQLQIEISA-N 2 1 337.714 3.642 20 0 EHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657876431 1033152537 /nfs/dbraw/zinc/15/25/37/1033152537.db2.gz LWDWIESMAULZTB-WBVHZDCISA-N 2 1 339.321 3.702 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657876424 1033151628 /nfs/dbraw/zinc/15/16/28/1033151628.db2.gz LWDWIESMAULZTB-DOTOQJQBSA-N 2 1 339.321 3.702 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000657182865 1023916681 /nfs/dbraw/zinc/91/66/81/1023916681.db2.gz UHQGKAOVSOCUFS-GFCCVEGCSA-N 2 1 332.822 3.763 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cncs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018328 1023957345 /nfs/dbraw/zinc/95/73/45/1023957345.db2.gz CXNSDXXBXNIHOO-ALXJQNPVSA-N 2 1 329.513 3.717 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]21 ZINC000342101540 1024004436 /nfs/dbraw/zinc/00/44/36/1024004436.db2.gz LGOWEICUDNQEBJ-GUDVDZBRSA-N 2 1 346.478 3.561 20 0 EHADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020189 1024021023 /nfs/dbraw/zinc/02/10/23/1024021023.db2.gz LGVYVQXARHBMHV-VTYHHJSWSA-N 3 1 343.559 3.894 20 0 EHADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003208 1024105051 /nfs/dbraw/zinc/10/50/51/1024105051.db2.gz KAFQHXLGHBRZTI-KAKFPZCNSA-N 2 1 348.531 3.588 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CC2CCCC2)CCN1Cc1ccccc1 ZINC000475036772 1024180609 /nfs/dbraw/zinc/18/06/09/1024180609.db2.gz ZUPIKZHDAGTQQJ-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475036772 1024180614 /nfs/dbraw/zinc/18/06/14/1024180614.db2.gz ZUPIKZHDAGTQQJ-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475036772 1024180623 /nfs/dbraw/zinc/18/06/23/1024180623.db2.gz ZUPIKZHDAGTQQJ-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036772 1024180631 /nfs/dbraw/zinc/18/06/31/1024180631.db2.gz ZUPIKZHDAGTQQJ-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000475036772 1024180656 /nfs/dbraw/zinc/18/06/56/1024180656.db2.gz ZUPIKZHDAGTQQJ-COPCDDAFSA-N 2 1 344.543 3.913 20 0 EHADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000507783968 1024233356 /nfs/dbraw/zinc/23/33/56/1024233356.db2.gz PGIXDBMZACXSRP-PCCBWWKXSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000507783968 1024233377 /nfs/dbraw/zinc/23/33/77/1024233377.db2.gz PGIXDBMZACXSRP-PCCBWWKXSA-N 2 1 330.516 3.646 20 0 EHADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000507783968 1024233390 /nfs/dbraw/zinc/23/33/90/1024233390.db2.gz PGIXDBMZACXSRP-PCCBWWKXSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000577822506 1024237607 /nfs/dbraw/zinc/23/76/07/1024237607.db2.gz QSMVYDIRLYFGKX-IAQYHMDHSA-N 2 1 341.268 3.507 20 0 EHADMP Fc1ccccc1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434675389 1024290867 /nfs/dbraw/zinc/29/08/67/1024290867.db2.gz LVLXCDAELHWVQI-UHFFFAOYSA-N 2 1 327.447 3.781 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000346174841 1024488910 /nfs/dbraw/zinc/48/89/10/1024488910.db2.gz LSTXEKIWDWZXFR-QGZVFWFLSA-N 2 1 334.467 3.947 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028512 1024502966 /nfs/dbraw/zinc/50/29/66/1024502966.db2.gz OTNHYSAUKIVPRF-CXUGJCBMSA-N 2 1 330.516 3.569 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1C(F)F ZINC000895479250 1024552028 /nfs/dbraw/zinc/55/20/28/1024552028.db2.gz NWVXCTNSGYZZEF-HNNXBMFYSA-N 2 1 326.406 3.975 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1C(F)F ZINC000895479250 1024552037 /nfs/dbraw/zinc/55/20/37/1024552037.db2.gz NWVXCTNSGYZZEF-HNNXBMFYSA-N 2 1 326.406 3.975 20 0 EHADMP CO[C@H]1C[C@H](C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000895540095 1024600244 /nfs/dbraw/zinc/60/02/44/1024600244.db2.gz RUPFDVPFMGAWTA-ONTIZHBOSA-N 2 1 344.543 3.939 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008504 1024605304 /nfs/dbraw/zinc/60/53/04/1024605304.db2.gz FFIATPLGQUXSSS-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008504 1024605316 /nfs/dbraw/zinc/60/53/16/1024605316.db2.gz FFIATPLGQUXSSS-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008504 1024605331 /nfs/dbraw/zinc/60/53/31/1024605331.db2.gz FFIATPLGQUXSSS-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008504 1024605339 /nfs/dbraw/zinc/60/53/39/1024605339.db2.gz FFIATPLGQUXSSS-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008504 1024605349 /nfs/dbraw/zinc/60/53/49/1024605349.db2.gz FFIATPLGQUXSSS-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882355 1033223553 /nfs/dbraw/zinc/22/35/53/1033223553.db2.gz JNNOZPUNGRUFEU-RTWAWAEBSA-N 2 1 342.527 3.714 20 0 EHADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCC1 ZINC000897882355 1033223563 /nfs/dbraw/zinc/22/35/63/1033223563.db2.gz JNNOZPUNGRUFEU-RTWAWAEBSA-N 2 1 342.527 3.714 20 0 EHADMP Fc1cncc([C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000281090223 1024620858 /nfs/dbraw/zinc/62/08/58/1024620858.db2.gz ALCODJOCUQJUDJ-OAQYLSRUSA-N 2 1 339.458 3.710 20 0 EHADMP Fc1cncc([C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000281090223 1024620863 /nfs/dbraw/zinc/62/08/63/1024620863.db2.gz ALCODJOCUQJUDJ-OAQYLSRUSA-N 2 1 339.458 3.710 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc2c(c1)OCCO2 ZINC001167958486 1024730484 /nfs/dbraw/zinc/73/04/84/1024730484.db2.gz FVTACXYUFIXIEM-AQXGTKIOSA-N 2 1 342.483 3.514 20 0 EHADMP [NH3+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000435374108 1024841420 /nfs/dbraw/zinc/84/14/20/1024841420.db2.gz WHTFVVLZTOJECH-UHFFFAOYSA-N 2 1 346.478 3.522 20 0 EHADMP Clc1sc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000191691142 1024871215 /nfs/dbraw/zinc/87/12/15/1024871215.db2.gz BLAVKJHJKYCMHL-UHFFFAOYSA-N 2 1 337.714 3.740 20 0 EHADMP Cc1ccccc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428045 1024916768 /nfs/dbraw/zinc/91/67/68/1024916768.db2.gz OXNVLVLSFACQMV-QGZVFWFLSA-N 2 1 327.497 3.596 20 0 EHADMP Cc1ccccc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428045 1024916773 /nfs/dbraw/zinc/91/67/73/1024916773.db2.gz OXNVLVLSFACQMV-QGZVFWFLSA-N 2 1 327.497 3.596 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCSCC1 ZINC000665253305 1024956167 /nfs/dbraw/zinc/95/61/67/1024956167.db2.gz NGCKQVWJYWUDSZ-CDHAZOANSA-N 2 1 340.483 3.532 20 0 EHADMP C[N@H+](CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1)C1CCCCC1 ZINC000474478242 1025015780 /nfs/dbraw/zinc/01/57/80/1025015780.db2.gz OKFLVGMGTBEMMI-UHFFFAOYSA-N 2 1 344.478 3.756 20 0 EHADMP C[N@@H+](CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1)C1CCCCC1 ZINC000474478242 1025015789 /nfs/dbraw/zinc/01/57/89/1025015789.db2.gz OKFLVGMGTBEMMI-UHFFFAOYSA-N 2 1 344.478 3.756 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346689733 1025018396 /nfs/dbraw/zinc/01/83/96/1025018396.db2.gz SMVYSBVLYGMSKA-WBVHZDCISA-N 2 1 328.431 3.574 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011795 1025022305 /nfs/dbraw/zinc/02/23/05/1025022305.db2.gz SLPGMRDVFIGIIG-IZZQQSIFSA-N 2 1 346.515 3.749 20 0 EHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000474484878 1025041287 /nfs/dbraw/zinc/04/12/87/1025041287.db2.gz NDFXKHUITLOGQK-FDYSRKEFSA-N 2 1 338.536 3.599 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1OC ZINC000474490884 1025060241 /nfs/dbraw/zinc/06/02/41/1025060241.db2.gz PHUOWTVQOOTZEA-HZPDHXFCSA-N 2 1 334.504 3.660 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3cccc(C)n3)C2)s1 ZINC000520820023 1025074573 /nfs/dbraw/zinc/07/45/73/1025074573.db2.gz UZLDKTBMFVDCDK-GOSISDBHSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3cccc(C)n3)C2)s1 ZINC000520820023 1025074588 /nfs/dbraw/zinc/07/45/88/1025074588.db2.gz UZLDKTBMFVDCDK-GOSISDBHSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3cccc(C)n3)C2)s1 ZINC000520820023 1025074603 /nfs/dbraw/zinc/07/46/03/1025074603.db2.gz UZLDKTBMFVDCDK-GOSISDBHSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ncsc1CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697501 1025086127 /nfs/dbraw/zinc/08/61/27/1025086127.db2.gz YHCFRCSTLQYZFF-QGZVFWFLSA-N 2 1 347.553 3.700 20 0 EHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC[NH2+]1 ZINC000582050222 1025090161 /nfs/dbraw/zinc/09/01/61/1025090161.db2.gz YTNWVLDYALBPIR-OWCLPIDISA-N 2 1 329.513 3.864 20 0 EHADMP COc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc12 ZINC000414872607 1025090842 /nfs/dbraw/zinc/09/08/42/1025090842.db2.gz FXHBTLDIGYDCHC-UHFFFAOYSA-N 2 1 335.451 3.513 20 0 EHADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168037425 1025174259 /nfs/dbraw/zinc/17/42/59/1025174259.db2.gz YDVDORLTUDFZQE-MXNKGDRCSA-N 2 1 343.559 3.748 20 0 EHADMP CC(C)C[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168037425 1025174264 /nfs/dbraw/zinc/17/42/64/1025174264.db2.gz YDVDORLTUDFZQE-MXNKGDRCSA-N 2 1 343.559 3.748 20 0 EHADMP CC(C)C[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168037425 1025174271 /nfs/dbraw/zinc/17/42/71/1025174271.db2.gz YDVDORLTUDFZQE-MXNKGDRCSA-N 2 1 343.559 3.748 20 0 EHADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000435870202 1025193047 /nfs/dbraw/zinc/19/30/47/1025193047.db2.gz DXPPNXBGTMUPNC-INIZCTEOSA-N 2 1 325.456 3.541 20 0 EHADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000435870202 1025193053 /nfs/dbraw/zinc/19/30/53/1025193053.db2.gz DXPPNXBGTMUPNC-INIZCTEOSA-N 2 1 325.456 3.541 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cscc3Br)C2)CC1 ZINC000349151964 1025205344 /nfs/dbraw/zinc/20/53/44/1025205344.db2.gz PFSIASVJRZLZFC-CYBMUJFWSA-N 2 1 343.334 3.674 20 0 EHADMP C[C@H](CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)[NH+]1CCCCC1 ZINC000346881726 1025251441 /nfs/dbraw/zinc/25/14/41/1025251441.db2.gz XPVFXIGDPHMFQV-NQIIRXRSSA-N 2 1 338.499 3.615 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000474035386 1025314463 /nfs/dbraw/zinc/31/44/63/1025314463.db2.gz NWQHGDMCJHGWAJ-CEMLEFRQSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1ncsc1C[N@@H+](Cc1c(C)cc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC000436045572 1025329970 /nfs/dbraw/zinc/32/99/70/1025329970.db2.gz FHHHFRIWPHQHOH-SFHVURJKSA-N 2 1 343.540 3.988 20 0 EHADMP Cc1ncsc1C[N@H+](Cc1c(C)cc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC000436045572 1025329982 /nfs/dbraw/zinc/32/99/82/1025329982.db2.gz FHHHFRIWPHQHOH-SFHVURJKSA-N 2 1 343.540 3.988 20 0 EHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000346938084 1025331076 /nfs/dbraw/zinc/33/10/76/1025331076.db2.gz HQAACUJLAYFJPK-LSDHHAIUSA-N 2 1 342.487 3.525 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000366950328 1025336816 /nfs/dbraw/zinc/33/68/16/1025336816.db2.gz FSWHCFKYBFLXJY-XMSQKQJNSA-N 2 1 338.495 3.742 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCOC2CCC2)CC3)cc1 ZINC000346973429 1025371373 /nfs/dbraw/zinc/37/13/73/1025371373.db2.gz DWNLXJRYRXNPJV-UHFFFAOYSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000665289535 1025423179 /nfs/dbraw/zinc/42/31/79/1025423179.db2.gz QPTLDTDIYOBFGF-CQSZACIVSA-N 2 1 340.471 3.539 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000442781306 1025473410 /nfs/dbraw/zinc/47/34/10/1025473410.db2.gz PADSJHSINYWADE-UONOGXRCSA-N 2 1 330.394 3.534 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c1 ZINC000436231557 1025480173 /nfs/dbraw/zinc/48/01/73/1025480173.db2.gz GDDUHNBXBKHYHP-UHFFFAOYSA-N 2 1 340.496 3.880 20 0 EHADMP Clc1cccc(Cl)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530237260 1025527834 /nfs/dbraw/zinc/52/78/34/1025527834.db2.gz CSBZCXDBQLXKMO-AWEZNQCLSA-N 2 1 343.298 3.584 20 0 EHADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436297496 1025561186 /nfs/dbraw/zinc/56/11/86/1025561186.db2.gz VRLLKIYIHQXDDT-WSTZPKSXSA-N 2 1 344.547 3.833 20 0 EHADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442927579 1025591426 /nfs/dbraw/zinc/59/14/26/1025591426.db2.gz OEZQPYNPTOPQID-GFCCVEGCSA-N 2 1 343.334 3.732 20 0 EHADMP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000521695005 1025595720 /nfs/dbraw/zinc/59/57/20/1025595720.db2.gz GYHFOFJQFCXGIW-UWJYYQICSA-N 2 1 328.500 3.601 20 0 EHADMP CCOc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OCC(C)C ZINC000442924142 1025600119 /nfs/dbraw/zinc/60/01/19/1025600119.db2.gz RPYQJWASMDTPAM-QGZVFWFLSA-N 2 1 334.504 3.681 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657374627 1025684345 /nfs/dbraw/zinc/68/43/45/1025684345.db2.gz OKUVUQFKEYAKNM-UHFFFAOYSA-N 2 1 327.350 3.502 20 0 EHADMP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443059084 1025693556 /nfs/dbraw/zinc/69/35/56/1025693556.db2.gz LZOGWVGYKHEJNL-HNNXBMFYSA-N 2 1 345.512 3.770 20 0 EHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414884970 1025701097 /nfs/dbraw/zinc/70/10/97/1025701097.db2.gz UVCKPXIQBUAHED-CQSZACIVSA-N 2 1 337.920 3.887 20 0 EHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000521820895 1025708502 /nfs/dbraw/zinc/70/85/02/1025708502.db2.gz PXXGEAXOTFITJR-XDJHFCHBSA-N 2 1 336.479 3.712 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000436485896 1025786526 /nfs/dbraw/zinc/78/65/26/1025786526.db2.gz MAVBDJSYYJTIAN-UHFFFAOYSA-N 2 1 348.531 3.574 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)Cc1ccccc1 ZINC000474049015 1026064251 /nfs/dbraw/zinc/06/42/51/1026064251.db2.gz ZGYPZMBWFFRFSX-PCCBWWKXSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1CC([NH+]2CCC(C[NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168054483 1026073081 /nfs/dbraw/zinc/07/30/81/1026073081.db2.gz SCMHDNKPJWSQQC-OALUTQOASA-N 2 1 343.559 3.702 20 0 EHADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001168133292 1026335155 /nfs/dbraw/zinc/33/51/55/1026335155.db2.gz ATACQKJMOKDTDD-OAQYLSRUSA-N 2 1 341.543 3.601 20 0 EHADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001168133292 1026335170 /nfs/dbraw/zinc/33/51/70/1026335170.db2.gz ATACQKJMOKDTDD-OAQYLSRUSA-N 2 1 341.543 3.601 20 0 EHADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001168133292 1026335183 /nfs/dbraw/zinc/33/51/83/1026335183.db2.gz ATACQKJMOKDTDD-OAQYLSRUSA-N 2 1 341.543 3.601 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000342588327 1026373971 /nfs/dbraw/zinc/37/39/71/1026373971.db2.gz DILBHOZIBFHOAG-KBPBESRZSA-N 2 1 325.884 3.659 20 0 EHADMP FC(F)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000475208930 1026389030 /nfs/dbraw/zinc/38/90/30/1026389030.db2.gz BMQGRYSUIWPKTA-FGTMMUONSA-N 2 1 334.454 3.922 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000530902147 1026389804 /nfs/dbraw/zinc/38/98/04/1026389804.db2.gz LEEDQTBLMJXGHR-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000530902147 1026389812 /nfs/dbraw/zinc/38/98/12/1026389812.db2.gz LEEDQTBLMJXGHR-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000530902147 1026389824 /nfs/dbraw/zinc/38/98/24/1026389824.db2.gz LEEDQTBLMJXGHR-ZBFHGGJFSA-N 2 1 344.421 3.889 20 0 EHADMP CC(=O)[C@@H]1CCC[N@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059804 1026402408 /nfs/dbraw/zinc/40/24/08/1026402408.db2.gz HGCGVIYAIRSHIV-ABSDTBQOSA-N 2 1 328.500 3.729 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1Cl ZINC000342596883 1026410365 /nfs/dbraw/zinc/41/03/65/1026410365.db2.gz OMOYWTAVNVKTMK-ZDUSSCGKSA-N 2 1 325.884 3.516 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452061117 1026470863 /nfs/dbraw/zinc/47/08/63/1026470863.db2.gz OOLJYJNZNLPSEQ-QGZVFWFLSA-N 2 1 333.501 3.527 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4noc5ccccc45)[C@H]3C2)cc1 ZINC000582556683 1026582709 /nfs/dbraw/zinc/58/27/09/1026582709.db2.gz MZSZJAYWYAZRMJ-IHPCNDPISA-N 2 1 347.462 3.828 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4noc5ccccc45)[C@H]3C2)cc1 ZINC000582556683 1026582723 /nfs/dbraw/zinc/58/27/23/1026582723.db2.gz MZSZJAYWYAZRMJ-IHPCNDPISA-N 2 1 347.462 3.828 20 0 EHADMP COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000342716851 1026822075 /nfs/dbraw/zinc/82/20/75/1026822075.db2.gz XZWKJGJKSQLOMA-YSSFQJQWSA-N 2 1 327.472 3.762 20 0 EHADMP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301549339 1026849960 /nfs/dbraw/zinc/84/99/60/1026849960.db2.gz QKUBCVHBEOPARH-UHFFFAOYSA-N 2 1 347.890 3.825 20 0 EHADMP Cc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c2ccccc2[nH+]1 ZINC000301869468 1026972527 /nfs/dbraw/zinc/97/25/27/1026972527.db2.gz JLIIXPBVYODHRY-MOPGFXCFSA-N 2 1 347.462 3.591 20 0 EHADMP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2[nH+]1 ZINC000302038796 1027031546 /nfs/dbraw/zinc/03/15/46/1027031546.db2.gz GWPNOZMSEUJNGM-IBGZPJMESA-N 2 1 347.462 3.722 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc(C)n1 ZINC000302059654 1027038792 /nfs/dbraw/zinc/03/87/92/1027038792.db2.gz BFSJYPWTVIJKNZ-KDOFPFPSSA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059654 1027038805 /nfs/dbraw/zinc/03/88/05/1027038805.db2.gz BFSJYPWTVIJKNZ-KDOFPFPSSA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059654 1027038811 /nfs/dbraw/zinc/03/88/11/1027038811.db2.gz BFSJYPWTVIJKNZ-KDOFPFPSSA-N 2 1 330.501 3.904 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000075007659 1027096799 /nfs/dbraw/zinc/09/67/99/1027096799.db2.gz BKGHXTNNEVAPNG-HNNXBMFYSA-N 2 1 340.458 3.849 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000531684897 1027209739 /nfs/dbraw/zinc/20/97/39/1027209739.db2.gz GTZPYSGEDSGUAT-UHFFFAOYSA-N 2 1 342.483 3.959 20 0 EHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000453069350 1027281526 /nfs/dbraw/zinc/28/15/26/1027281526.db2.gz MJFJRDFEAKIWFU-DYESRHJHSA-N 2 1 339.483 3.543 20 0 EHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000453069350 1027281534 /nfs/dbraw/zinc/28/15/34/1027281534.db2.gz MJFJRDFEAKIWFU-DYESRHJHSA-N 2 1 339.483 3.543 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453054916 1027298105 /nfs/dbraw/zinc/29/81/05/1027298105.db2.gz BXVZHWQOEWJVPG-PWRODBHTSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453093309 1027352845 /nfs/dbraw/zinc/35/28/45/1027352845.db2.gz FSJCFIUXDVOAEH-GUDVDZBRSA-N 2 1 341.524 3.984 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453108819 1027377017 /nfs/dbraw/zinc/37/70/17/1027377017.db2.gz OJGQAIXJQQJHRA-JKSUJKDBSA-N 2 1 337.471 3.579 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000453116567 1027391772 /nfs/dbraw/zinc/39/17/72/1027391772.db2.gz JIPRGYATYALTRM-JZGRTCEGSA-N 2 1 336.907 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC[N@H+]1C ZINC000453116567 1027391783 /nfs/dbraw/zinc/39/17/83/1027391783.db2.gz JIPRGYATYALTRM-JZGRTCEGSA-N 2 1 336.907 3.502 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453144633 1027411776 /nfs/dbraw/zinc/41/17/76/1027411776.db2.gz GWUPTGJMGWFMTJ-MRXNPFEDSA-N 2 1 326.488 3.611 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453128732 1027430467 /nfs/dbraw/zinc/43/04/67/1027430467.db2.gz QOOZTCSONXTMDH-MRXNPFEDSA-N 2 1 337.471 3.723 20 0 EHADMP Cc1ccc(N2CCC([NH2+]C3CCc4ccccc4CC3)CC2)[nH+]c1 ZINC000453136429 1027440284 /nfs/dbraw/zinc/44/02/84/1027440284.db2.gz XDGHAJRORKMTMX-UHFFFAOYSA-N 2 1 335.495 3.896 20 0 EHADMP c1cc(C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420302749 1027450894 /nfs/dbraw/zinc/45/08/94/1027450894.db2.gz BWNMDKYWCVLLPN-LJQANCHMSA-N 3 1 347.572 3.568 20 0 EHADMP c1cc(C[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420302749 1027450900 /nfs/dbraw/zinc/45/09/00/1027450900.db2.gz BWNMDKYWCVLLPN-LJQANCHMSA-N 3 1 347.572 3.568 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]21 ZINC000420313922 1027460354 /nfs/dbraw/zinc/46/03/54/1027460354.db2.gz UUFZCFDQZAGTNX-TYNCELHUSA-N 2 1 349.450 3.648 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]21 ZINC000420313922 1027460363 /nfs/dbraw/zinc/46/03/63/1027460363.db2.gz UUFZCFDQZAGTNX-TYNCELHUSA-N 2 1 349.450 3.648 20 0 EHADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000353019631 1027460901 /nfs/dbraw/zinc/46/09/01/1027460901.db2.gz OXPPFRACIPEXLM-FQEVSTJZSA-N 2 1 338.499 3.647 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420319309 1027466346 /nfs/dbraw/zinc/46/63/46/1027466346.db2.gz PANPBBOWRSBRSH-QZTJIDSGSA-N 2 1 340.515 3.796 20 0 EHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326686 1027479104 /nfs/dbraw/zinc/47/91/04/1027479104.db2.gz KHXFIBKOCBDUFM-BPQIPLTHSA-N 2 1 325.456 3.724 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453165102 1027480759 /nfs/dbraw/zinc/48/07/59/1027480759.db2.gz AWQAQYUJYJVOFB-ZRBLBEILSA-N 2 1 349.522 3.965 20 0 EHADMP c1sc(Cc2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332581 1027481890 /nfs/dbraw/zinc/48/18/90/1027481890.db2.gz GOMIDHIDCOFISR-LJQANCHMSA-N 2 1 341.524 3.698 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000453171123 1027490044 /nfs/dbraw/zinc/49/00/44/1027490044.db2.gz VPVXLABPAJNWTL-MLZLACJZSA-N 2 1 328.500 3.587 20 0 EHADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420366594 1027492374 /nfs/dbraw/zinc/49/23/74/1027492374.db2.gz GFQDJDBYPCMEFB-DLBZAZTESA-N 2 1 336.907 3.821 20 0 EHADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420377493 1027498559 /nfs/dbraw/zinc/49/85/59/1027498559.db2.gz SATMRVFPUDZNFH-ZWKOTPCHSA-N 2 1 331.504 3.505 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000657597660 1027588079 /nfs/dbraw/zinc/58/80/79/1027588079.db2.gz WFXMCVDTYVRDLC-LJQANCHMSA-N 2 1 344.886 3.505 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000342861286 1027703464 /nfs/dbraw/zinc/70/34/64/1027703464.db2.gz WBXZDIPMVMYTED-UHFFFAOYSA-N 2 1 327.350 3.612 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000342861286 1027703478 /nfs/dbraw/zinc/70/34/78/1027703478.db2.gz WBXZDIPMVMYTED-UHFFFAOYSA-N 2 1 327.350 3.612 20 0 EHADMP C[C@H]1C[C@H](N(C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338808 1027728429 /nfs/dbraw/zinc/72/84/29/1027728429.db2.gz GVUIYJDZXCKLPS-QFBILLFUSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@H](N(C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338808 1027728446 /nfs/dbraw/zinc/72/84/46/1027728446.db2.gz GVUIYJDZXCKLPS-QFBILLFUSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459338808 1027728464 /nfs/dbraw/zinc/72/84/64/1027728464.db2.gz GVUIYJDZXCKLPS-QFBILLFUSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCn2cc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459338808 1027728472 /nfs/dbraw/zinc/72/84/72/1027728472.db2.gz GVUIYJDZXCKLPS-QFBILLFUSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338808 1027728481 /nfs/dbraw/zinc/72/84/81/1027728481.db2.gz GVUIYJDZXCKLPS-QFBILLFUSA-N 2 1 346.906 3.521 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCn2cc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000459338808 1027728487 /nfs/dbraw/zinc/72/84/87/1027728487.db2.gz GVUIYJDZXCKLPS-QFBILLFUSA-N 2 1 346.906 3.521 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000414658551 1027729136 /nfs/dbraw/zinc/72/91/36/1027729136.db2.gz JSLYJVBNSGDAMW-UHFFFAOYSA-N 2 1 334.895 3.559 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000414658551 1027729147 /nfs/dbraw/zinc/72/91/47/1027729147.db2.gz JSLYJVBNSGDAMW-UHFFFAOYSA-N 2 1 334.895 3.559 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000414657766 1027735955 /nfs/dbraw/zinc/73/59/55/1027735955.db2.gz PGECDWRXWMRDTJ-GOSISDBHSA-N 2 1 334.504 3.696 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000414657766 1027735974 /nfs/dbraw/zinc/73/59/74/1027735974.db2.gz PGECDWRXWMRDTJ-GOSISDBHSA-N 2 1 334.504 3.696 20 0 EHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000639759657 1027753176 /nfs/dbraw/zinc/75/31/76/1027753176.db2.gz FTKWHGVUJVFXGA-UHFFFAOYSA-N 2 1 345.874 3.913 20 0 EHADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669245 1027785495 /nfs/dbraw/zinc/78/54/95/1027785495.db2.gz JUCQOIJHGUTVNI-WKOQKXSESA-N 2 1 336.479 3.820 20 0 EHADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414669245 1027785515 /nfs/dbraw/zinc/78/55/15/1027785515.db2.gz JUCQOIJHGUTVNI-WKOQKXSESA-N 2 1 336.479 3.820 20 0 EHADMP CC[NH+](CC)[C@@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422732182 1027876600 /nfs/dbraw/zinc/87/66/00/1027876600.db2.gz NIBWCIAFXNGBFH-IERDGZPVSA-N 2 1 340.515 3.582 20 0 EHADMP CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422732184 1027878614 /nfs/dbraw/zinc/87/86/14/1027878614.db2.gz NIBWCIAFXNGBFH-KKSFZXQISA-N 2 1 340.515 3.582 20 0 EHADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422720209 1027887560 /nfs/dbraw/zinc/88/75/60/1027887560.db2.gz SFWGVUXAHNXZLE-IINYFYTJSA-N 2 1 331.685 3.580 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068882 1027898305 /nfs/dbraw/zinc/89/83/05/1027898305.db2.gz IKXJISHZVNLUFU-VXKWHMMOSA-N 3 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068882 1027898317 /nfs/dbraw/zinc/89/83/17/1027898317.db2.gz IKXJISHZVNLUFU-VXKWHMMOSA-N 2 1 341.543 3.635 20 0 EHADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068882 1027898340 /nfs/dbraw/zinc/89/83/40/1027898340.db2.gz IKXJISHZVNLUFU-VXKWHMMOSA-N 2 1 341.543 3.635 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422804362 1027956812 /nfs/dbraw/zinc/95/68/12/1027956812.db2.gz HMYPEMPSIJZWCI-SYNHAJSKSA-N 2 1 325.456 3.621 20 0 EHADMP c1ccc(COC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422791615 1027964838 /nfs/dbraw/zinc/96/48/38/1027964838.db2.gz WHGWODGKQYJDEP-IUPYZPJSSA-N 2 1 336.479 3.817 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422858487 1027997547 /nfs/dbraw/zinc/99/75/47/1027997547.db2.gz IUHZUEDZMWJONH-BHDDXSALSA-N 3 1 343.559 3.927 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422858487 1027997565 /nfs/dbraw/zinc/99/75/65/1027997565.db2.gz IUHZUEDZMWJONH-BHDDXSALSA-N 2 1 343.559 3.927 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422858487 1027997573 /nfs/dbraw/zinc/99/75/73/1027997573.db2.gz IUHZUEDZMWJONH-BHDDXSALSA-N 2 1 343.559 3.927 20 0 EHADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1c[nH+]ccc1N ZINC000422883310 1028017570 /nfs/dbraw/zinc/01/75/70/1028017570.db2.gz QLEANGNFFTVSGR-DLBZAZTESA-N 2 1 338.499 3.577 20 0 EHADMP COc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000422935437 1028064287 /nfs/dbraw/zinc/06/42/87/1028064287.db2.gz AKHOZOLAWCCGFJ-ICSRJNTNSA-N 2 1 328.431 3.655 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[NH2+]2)cc1 ZINC000422920962 1028077391 /nfs/dbraw/zinc/07/73/91/1028077391.db2.gz ODLVMVHVLXMLMV-PMACEKPBSA-N 2 1 328.500 3.809 20 0 EHADMP C[C@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422969252 1028083281 /nfs/dbraw/zinc/08/32/81/1028083281.db2.gz ZHYTWABLPSGHSH-SFHVURJKSA-N 2 1 349.522 3.647 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(F)cc2)cc1 ZINC000422949209 1028086713 /nfs/dbraw/zinc/08/67/13/1028086713.db2.gz ULVPXCSXVHMYBU-VHRCFOOQSA-N 2 1 340.442 3.796 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000643345074 1028104354 /nfs/dbraw/zinc/10/43/54/1028104354.db2.gz TZZVOTZLSABWCG-IRLDBZIGSA-N 2 1 349.522 3.831 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000422971750 1028104850 /nfs/dbraw/zinc/10/48/50/1028104850.db2.gz JTFFKWXKYGKHEP-QAPCUYQASA-N 2 1 331.460 3.506 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000422971749 1028106476 /nfs/dbraw/zinc/10/64/76/1028106476.db2.gz JTFFKWXKYGKHEP-MAUKXSAKSA-N 2 1 331.460 3.506 20 0 EHADMP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422994581 1028111546 /nfs/dbraw/zinc/11/15/46/1028111546.db2.gz VSIYKFGOLVDLTE-MPRHMJKFSA-N 2 1 342.527 3.634 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C3)cs1 ZINC000414711775 1028128005 /nfs/dbraw/zinc/12/80/05/1028128005.db2.gz MZBWBBALZUEGTE-OCCSQVGLSA-N 2 1 347.553 3.926 20 0 EHADMP CC[C@@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCC[NH2+]1 ZINC000134573652 1028130172 /nfs/dbraw/zinc/13/01/72/1028130172.db2.gz JKQGHMUOTKIWHE-FQEVSTJZSA-N 2 1 340.471 3.526 20 0 EHADMP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423045476 1028151547 /nfs/dbraw/zinc/15/15/47/1028151547.db2.gz SEWKBKWUHLWHFW-BQJUDKOJSA-N 2 1 344.474 3.508 20 0 EHADMP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423087592 1028175208 /nfs/dbraw/zinc/17/52/08/1028175208.db2.gz PXVYYYOVODKDOG-XXGVUKKKSA-N 2 1 342.527 3.660 20 0 EHADMP C[C@@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000423100145 1028182906 /nfs/dbraw/zinc/18/29/06/1028182906.db2.gz GHQHUQJAZFBZCG-YJYMSZOUSA-N 2 1 345.874 3.966 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1Br ZINC000423168037 1028239965 /nfs/dbraw/zinc/23/99/65/1028239965.db2.gz UBVHRXMZGVUCTQ-IAGOWNOFSA-N 2 1 331.257 3.992 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000246333003 1028242924 /nfs/dbraw/zinc/24/29/24/1028242924.db2.gz GISDUSICZRCXAU-ORYQWCPZSA-N 2 1 348.506 3.930 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1-c1ccc(F)cc1 ZINC000423176853 1028248791 /nfs/dbraw/zinc/24/87/91/1028248791.db2.gz ICRPVAJDRIZNBK-CQSZACIVSA-N 2 1 330.451 3.632 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191291 1028260704 /nfs/dbraw/zinc/26/07/04/1028260704.db2.gz SROHXLXJWOZDNR-FOIQADDNSA-N 2 1 327.447 3.614 20 0 EHADMP C[C@H]([NH3+])CCN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423227029 1028293169 /nfs/dbraw/zinc/29/31/69/1028293169.db2.gz TZOZHQCLGWEBJJ-PXNSSMCTSA-N 2 1 335.511 3.706 20 0 EHADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423290851 1028330173 /nfs/dbraw/zinc/33/01/73/1028330173.db2.gz FRPANFICOXEIEI-VAMGGRTRSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730537 1028333808 /nfs/dbraw/zinc/33/38/08/1028333808.db2.gz DSWPKNOHRMZEGL-XJKSGUPXSA-N 2 1 325.294 3.627 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294378 1028354070 /nfs/dbraw/zinc/35/40/70/1028354070.db2.gz UITURBVJASZTBH-KEIZBESESA-N 3 1 349.522 3.992 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000423294378 1028354087 /nfs/dbraw/zinc/35/40/87/1028354087.db2.gz UITURBVJASZTBH-KEIZBESESA-N 2 1 349.522 3.992 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294378 1028354102 /nfs/dbraw/zinc/35/41/02/1028354102.db2.gz UITURBVJASZTBH-KEIZBESESA-N 2 1 349.522 3.992 20 0 EHADMP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1Br ZINC000423332251 1028368728 /nfs/dbraw/zinc/36/87/28/1028368728.db2.gz PGFQQGKATNHBCQ-CVEARBPZSA-N 2 1 325.294 3.880 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000421393343 1028370980 /nfs/dbraw/zinc/37/09/80/1028370980.db2.gz RMILQCLSTLUGQD-CQSZACIVSA-N 2 1 338.377 3.740 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000161961703 1028382534 /nfs/dbraw/zinc/38/25/34/1028382534.db2.gz IQCSKGOGAJBWKQ-RVKKMQEKSA-N 2 1 329.513 3.671 20 0 EHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)F)CC2)cc1F ZINC000423376306 1028398312 /nfs/dbraw/zinc/39/83/12/1028398312.db2.gz UVVXWKXQSDJCSX-JFOLYBEZSA-N 2 1 344.396 3.824 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC[NH2+]1 ZINC000423388070 1028402594 /nfs/dbraw/zinc/40/25/94/1028402594.db2.gz SXQKCKXWDVLVRY-CKUKBARFSA-N 2 1 341.268 3.769 20 0 EHADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc(Cl)c1O ZINC000459379777 1028409285 /nfs/dbraw/zinc/40/92/85/1028409285.db2.gz RVFODJRMCVHLIH-UKRRQHHQSA-N 2 1 340.895 3.749 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000423374968 1028413379 /nfs/dbraw/zinc/41/33/79/1028413379.db2.gz KHVYEWSZYRYSRP-XYJFISCASA-N 2 1 326.488 3.589 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cc1 ZINC000423444931 1028431657 /nfs/dbraw/zinc/43/16/57/1028431657.db2.gz XZDFQPIFBBSECB-ZHRRBRCNSA-N 2 1 346.478 3.718 20 0 EHADMP CC(C)CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccoc1 ZINC000423504783 1028469322 /nfs/dbraw/zinc/46/93/22/1028469322.db2.gz HCMIIQDXUGRKOI-MHJFOBGBSA-N 2 1 333.520 3.563 20 0 EHADMP c1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCCC2)cc1 ZINC000423507623 1028473221 /nfs/dbraw/zinc/47/32/21/1028473221.db2.gz JURULDJBNMFYKM-LZBANZJXSA-N 2 1 341.543 3.724 20 0 EHADMP CN(Cc1cc(Cl)ccc1OC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508517255 1028486152 /nfs/dbraw/zinc/48/61/52/1028486152.db2.gz CCDXOVYRZTZFKJ-GFCCVEGCSA-N 2 1 332.822 3.715 20 0 EHADMP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000414749138 1028495518 /nfs/dbraw/zinc/49/55/18/1028495518.db2.gz JUNOJAUWVHROAR-GOSISDBHSA-N 2 1 334.504 3.838 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000628190954 1028516495 /nfs/dbraw/zinc/51/64/95/1028516495.db2.gz VQRLWNJTFFGWMH-NVXWUHKLSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000628190954 1028516512 /nfs/dbraw/zinc/51/65/12/1028516512.db2.gz VQRLWNJTFFGWMH-NVXWUHKLSA-N 2 1 326.406 3.664 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000628190954 1028516528 /nfs/dbraw/zinc/51/65/28/1028516528.db2.gz VQRLWNJTFFGWMH-NVXWUHKLSA-N 2 1 326.406 3.664 20 0 EHADMP CCN(C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CCCCC1 ZINC000523854336 1028662200 /nfs/dbraw/zinc/66/22/00/1028662200.db2.gz FZWGNRZBVUVGGB-WMZOPIPTSA-N 2 1 339.568 3.512 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)cn1 ZINC000841746286 1028700531 /nfs/dbraw/zinc/70/05/31/1028700531.db2.gz XQROPLIAOJBOTL-XOKHGSTOSA-N 2 1 338.480 3.919 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cnn1-c1ccc(F)cc1 ZINC000246889803 1028708236 /nfs/dbraw/zinc/70/82/36/1028708236.db2.gz DSXVZJAAUFFZAG-POZUXBRTSA-N 2 1 344.478 3.843 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247074143 1028742652 /nfs/dbraw/zinc/74/26/52/1028742652.db2.gz OLEWJPUFDMYDJX-SJLPKXTDSA-N 2 1 326.488 3.563 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247074143 1028742673 /nfs/dbraw/zinc/74/26/73/1028742673.db2.gz OLEWJPUFDMYDJX-SJLPKXTDSA-N 3 1 326.488 3.563 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247074143 1028742688 /nfs/dbraw/zinc/74/26/88/1028742688.db2.gz OLEWJPUFDMYDJX-SJLPKXTDSA-N 3 1 326.488 3.563 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)C1 ZINC000247097018 1028746983 /nfs/dbraw/zinc/74/69/83/1028746983.db2.gz PUCZJWPBINRTJF-HIFRSBDPSA-N 2 1 330.501 3.506 20 0 EHADMP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CCCC1 ZINC000421820789 1028805787 /nfs/dbraw/zinc/80/57/87/1028805787.db2.gz NVTSJDQARACVBM-GOSISDBHSA-N 2 1 330.516 3.897 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(C)C)c(F)c1 ZINC000421819197 1028835206 /nfs/dbraw/zinc/83/52/06/1028835206.db2.gz FQUMTCSAGLBWEJ-FQEVSTJZSA-N 2 1 334.479 3.995 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065822 1028844507 /nfs/dbraw/zinc/84/45/07/1028844507.db2.gz MDSKFQJEBOEWLE-FXAWDEMLSA-N 2 1 337.467 3.790 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065822 1028844523 /nfs/dbraw/zinc/84/45/23/1028844523.db2.gz MDSKFQJEBOEWLE-FXAWDEMLSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065822 1028844539 /nfs/dbraw/zinc/84/45/39/1028844539.db2.gz MDSKFQJEBOEWLE-FXAWDEMLSA-N 2 1 337.467 3.790 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000248065822 1028844554 /nfs/dbraw/zinc/84/45/54/1028844554.db2.gz MDSKFQJEBOEWLE-FXAWDEMLSA-N 2 1 337.467 3.790 20 0 EHADMP OC1(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000421856694 1028849716 /nfs/dbraw/zinc/84/97/16/1028849716.db2.gz NWYDQLSMILZATF-PWRODBHTSA-N 2 1 342.527 3.714 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000248202108 1028859634 /nfs/dbraw/zinc/85/96/34/1028859634.db2.gz YZXLAHGAATUTDN-YOEHRIQHSA-N 2 1 344.421 3.593 20 0 EHADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502921187 1028869679 /nfs/dbraw/zinc/86/96/79/1028869679.db2.gz ULGBSMMARXXDNN-HKUYNNGSSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502921187 1028869700 /nfs/dbraw/zinc/86/97/00/1028869700.db2.gz ULGBSMMARXXDNN-HKUYNNGSSA-N 2 1 331.504 3.600 20 0 EHADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502921187 1028869722 /nfs/dbraw/zinc/86/97/22/1028869722.db2.gz ULGBSMMARXXDNN-HKUYNNGSSA-N 2 1 331.504 3.600 20 0 EHADMP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000248827229 1028951876 /nfs/dbraw/zinc/95/18/76/1028951876.db2.gz GNZQKGLCOROMBY-YSTOQKLRSA-N 2 1 328.500 3.729 20 0 EHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414782338 1028974174 /nfs/dbraw/zinc/97/41/74/1028974174.db2.gz OLBTVXYMIZGGOD-HZPDHXFCSA-N 2 1 344.890 3.552 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC000841008749 1028999098 /nfs/dbraw/zinc/99/90/98/1028999098.db2.gz BYYLSADPEHSGHE-VURPSTOHSA-N 2 1 330.516 3.743 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCC[NH+]2CCCCC2)C3)cc1 ZINC000245663291 1029016406 /nfs/dbraw/zinc/01/64/06/1029016406.db2.gz GFSSPBRCGPLZNL-KOUNCHBCSA-N 3 1 341.543 3.648 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414784922 1029040675 /nfs/dbraw/zinc/04/06/75/1029040675.db2.gz RVCIHCUQVATWQC-HOTGVXAUSA-N 2 1 344.890 3.552 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000544405067 1029080474 /nfs/dbraw/zinc/08/04/74/1029080474.db2.gz NZSLOADDTVNJOY-UGKGYDQZSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000544405067 1029080497 /nfs/dbraw/zinc/08/04/97/1029080497.db2.gz NZSLOADDTVNJOY-UGKGYDQZSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405067 1029080513 /nfs/dbraw/zinc/08/05/13/1029080513.db2.gz NZSLOADDTVNJOY-UGKGYDQZSA-N 2 1 337.511 3.999 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000544405067 1029080533 /nfs/dbraw/zinc/08/05/33/1029080533.db2.gz NZSLOADDTVNJOY-UGKGYDQZSA-N 2 1 337.511 3.999 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000282052674 1029228135 /nfs/dbraw/zinc/22/81/35/1029228135.db2.gz GLYGFGJETCGFNH-PMXSJFBMSA-N 2 1 330.516 3.692 20 0 EHADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000282052674 1029228142 /nfs/dbraw/zinc/22/81/42/1029228142.db2.gz GLYGFGJETCGFNH-PMXSJFBMSA-N 2 1 330.516 3.692 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[C@H]4OCC[C@H]42)C3)cc1 ZINC000245779593 1029284652 /nfs/dbraw/zinc/28/46/52/1029284652.db2.gz YPKWCZGITMIAAF-LUDAKILFSA-N 2 1 340.511 3.729 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000245804455 1029321551 /nfs/dbraw/zinc/32/15/51/1029321551.db2.gz YGDMCHNUPBECJQ-WMZOPIPTSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000245804455 1029321566 /nfs/dbraw/zinc/32/15/66/1029321566.db2.gz YGDMCHNUPBECJQ-WMZOPIPTSA-N 2 1 334.504 3.645 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000245804455 1029321580 /nfs/dbraw/zinc/32/15/80/1029321580.db2.gz YGDMCHNUPBECJQ-WMZOPIPTSA-N 2 1 334.504 3.645 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000154821987 1029330754 /nfs/dbraw/zinc/33/07/54/1029330754.db2.gz LFGPFSJGBMEMKJ-OAQYLSRUSA-N 2 1 348.531 3.873 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc2n(n1)CCCC2 ZINC000647281261 1029353566 /nfs/dbraw/zinc/35/35/66/1029353566.db2.gz FOAQJVRVYVKHRY-QGZVFWFLSA-N 2 1 338.499 3.666 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000897536411 1029422772 /nfs/dbraw/zinc/42/27/72/1029422772.db2.gz LBBMUDPMSAFCKT-WJMWBRGCSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000897536411 1029422803 /nfs/dbraw/zinc/42/28/03/1029422803.db2.gz LBBMUDPMSAFCKT-WJMWBRGCSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000272377432 1029438990 /nfs/dbraw/zinc/43/89/90/1029438990.db2.gz DBOZLCIKJLCQAO-BCDXTJNWSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000272377432 1029438998 /nfs/dbraw/zinc/43/89/98/1029438998.db2.gz DBOZLCIKJLCQAO-BCDXTJNWSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000162258049 1029509212 /nfs/dbraw/zinc/50/92/12/1029509212.db2.gz OSZVRBFALNJLSJ-RTBURBONSA-N 2 1 330.520 3.867 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000261953089 1029539511 /nfs/dbraw/zinc/53/95/11/1029539511.db2.gz OHROVDMKOSQHRQ-LSDHHAIUSA-N 2 1 330.422 3.766 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000125542375 1029544411 /nfs/dbraw/zinc/54/44/11/1029544411.db2.gz UORHGMLDLXFUEQ-KRWDZBQOSA-N 2 1 342.483 3.948 20 0 EHADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)o1 ZINC000125542375 1029544420 /nfs/dbraw/zinc/54/44/20/1029544420.db2.gz UORHGMLDLXFUEQ-KRWDZBQOSA-N 2 1 342.483 3.948 20 0 EHADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655764049 1029575707 /nfs/dbraw/zinc/57/57/07/1029575707.db2.gz VGJCGXNSKUROOB-FPOVZHCZSA-N 2 1 342.527 3.933 20 0 EHADMP Fc1cccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000655764203 1029666280 /nfs/dbraw/zinc/66/62/80/1029666280.db2.gz DYSWMOWRVQBAGX-JRGCBEDISA-N 2 1 346.490 3.695 20 0 EHADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703436 1029759770 /nfs/dbraw/zinc/75/97/70/1029759770.db2.gz YDRBMWLMLUTAMT-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H](NCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703436 1029759778 /nfs/dbraw/zinc/75/97/78/1029759778.db2.gz YDRBMWLMLUTAMT-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H](NCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703436 1029759784 /nfs/dbraw/zinc/75/97/84/1029759784.db2.gz YDRBMWLMLUTAMT-CTNGQTDRSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708523 1029770643 /nfs/dbraw/zinc/77/06/43/1029770643.db2.gz BXLGJSIBBRXURV-BWAGFHJFSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714442 1029775572 /nfs/dbraw/zinc/77/55/72/1029775572.db2.gz HDLSUOMUYGRAFK-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000533866283 1029935816 /nfs/dbraw/zinc/93/58/16/1029935816.db2.gz XTKLHTPETVXIJN-CQSZACIVSA-N 2 1 342.830 3.718 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002533 1029935948 /nfs/dbraw/zinc/93/59/48/1029935948.db2.gz UAUIRQXJAZOCJN-XCRHUMRWSA-N 2 1 337.423 3.677 20 0 EHADMP Cc1noc(C2CCC([NH2+][C@@H](CC(C)C)C[NH+]3CCCC3)CC2)n1 ZINC000453246628 1029973278 /nfs/dbraw/zinc/97/32/78/1029973278.db2.gz CUBLIGYGZRERRI-ABHNRTSZSA-N 2 1 334.508 3.504 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000525708529 1030044546 /nfs/dbraw/zinc/04/45/46/1030044546.db2.gz WYCZZOVFTIHUHZ-IAQYHMDHSA-N 2 1 341.282 3.842 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000525708529 1030044555 /nfs/dbraw/zinc/04/45/55/1030044555.db2.gz WYCZZOVFTIHUHZ-IAQYHMDHSA-N 2 1 341.282 3.842 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453297504 1030046406 /nfs/dbraw/zinc/04/64/06/1030046406.db2.gz ZIGNCWNLYFGRCQ-FVTFTPSCSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000453328485 1030060645 /nfs/dbraw/zinc/06/06/45/1030060645.db2.gz UAIBEOBSXYPKQK-OYTNCSMVSA-N 2 1 337.305 3.781 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H]1CC[NH3+] ZINC000650711963 1030067587 /nfs/dbraw/zinc/06/75/87/1030067587.db2.gz LBZUCXFHDDPARM-LAUBAEHRSA-N 2 1 339.483 3.610 20 0 EHADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@]4(CCSC4)C3)CC2)cc1 ZINC000453348840 1030140007 /nfs/dbraw/zinc/14/00/07/1030140007.db2.gz GWKDALPXPWFMQZ-NRFANRHFSA-N 2 1 344.568 3.913 20 0 EHADMP c1ccc(CC[NH+]2CCC([N@H+]3CCC[C@]4(CCSC4)C3)CC2)cc1 ZINC000453348840 1030140015 /nfs/dbraw/zinc/14/00/15/1030140015.db2.gz GWKDALPXPWFMQZ-NRFANRHFSA-N 2 1 344.568 3.913 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453351016 1030143649 /nfs/dbraw/zinc/14/36/49/1030143649.db2.gz GXAUBULQGKVIJF-DENIHFKCSA-N 2 1 342.527 3.585 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550794500 1030174391 /nfs/dbraw/zinc/17/43/91/1030174391.db2.gz HVFYQZGECYBTBM-PCCBWWKXSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550794500 1030174404 /nfs/dbraw/zinc/17/44/04/1030174404.db2.gz HVFYQZGECYBTBM-PCCBWWKXSA-N 2 1 330.516 3.743 20 0 EHADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000278339085 1030245401 /nfs/dbraw/zinc/24/54/01/1030245401.db2.gz XFRORXCFUXVNNZ-HNNXBMFYSA-N 2 1 342.439 3.513 20 0 EHADMP C[C@@H]1C[C@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CCO1 ZINC001168142776 1030287090 /nfs/dbraw/zinc/28/70/90/1030287090.db2.gz LZRCVGLPUMMWGK-TZIWHRDSSA-N 2 1 342.527 3.932 20 0 EHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453593677 1030383312 /nfs/dbraw/zinc/38/33/12/1030383312.db2.gz HEDVZJIIWABIKQ-UHFFFAOYSA-N 2 1 344.478 3.592 20 0 EHADMP C[C@H]([NH2+]CCN1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420136 1030437603 /nfs/dbraw/zinc/43/76/03/1030437603.db2.gz VBXIRDQQXTYTDY-AZUAARDMSA-N 2 1 341.543 3.682 20 0 EHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000532188655 1030465519 /nfs/dbraw/zinc/46/55/19/1030465519.db2.gz YGMZKVOZUZNBNA-FUHWJXTLSA-N 2 1 335.561 3.595 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226269 1030492557 /nfs/dbraw/zinc/49/25/57/1030492557.db2.gz SFHIIMRPVIWQFZ-KBPBESRZSA-N 2 1 330.394 3.620 20 0 EHADMP Cc1cc(C)c([C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1C ZINC000482565165 1030542632 /nfs/dbraw/zinc/54/26/32/1030542632.db2.gz XEMXHOJHURZAIF-LJQANCHMSA-N 2 1 330.516 3.907 20 0 EHADMP C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482621683 1030586341 /nfs/dbraw/zinc/58/63/41/1030586341.db2.gz SVENCORCLVQFLI-CEXWTWQISA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482621683 1030586358 /nfs/dbraw/zinc/58/63/58/1030586358.db2.gz SVENCORCLVQFLI-CEXWTWQISA-N 2 1 347.547 3.541 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n(-c2ccccc2)n1 ZINC000447928437 1030606171 /nfs/dbraw/zinc/60/61/71/1030606171.db2.gz DYSJHVLQSUUVOO-UHFFFAOYSA-N 2 1 338.499 3.759 20 0 EHADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000151133590 1030683560 /nfs/dbraw/zinc/68/35/60/1030683560.db2.gz NYNJGWRQLSMYRK-UONOGXRCSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000151133590 1030683567 /nfs/dbraw/zinc/68/35/67/1030683567.db2.gz NYNJGWRQLSMYRK-UONOGXRCSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000151133590 1030683575 /nfs/dbraw/zinc/68/35/75/1030683575.db2.gz NYNJGWRQLSMYRK-UONOGXRCSA-N 2 1 340.895 3.740 20 0 EHADMP c1[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nc1-c1ccccc1 ZINC000194225664 1030707407 /nfs/dbraw/zinc/70/74/07/1030707407.db2.gz JWFFOMCEGHEIJW-UHFFFAOYSA-N 2 1 346.478 3.962 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942878 1030834133 /nfs/dbraw/zinc/83/41/33/1030834133.db2.gz GFKYRBWBYCEUMS-UYAOXDASSA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482942878 1030834152 /nfs/dbraw/zinc/83/41/52/1030834152.db2.gz GFKYRBWBYCEUMS-UYAOXDASSA-N 2 1 347.547 3.542 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070576 1030940628 /nfs/dbraw/zinc/94/06/28/1030940628.db2.gz GLJVKHQDGFIVKB-WBMJQRKESA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070576 1030940641 /nfs/dbraw/zinc/94/06/41/1030940641.db2.gz GLJVKHQDGFIVKB-WBMJQRKESA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070576 1030940655 /nfs/dbraw/zinc/94/06/55/1030940655.db2.gz GLJVKHQDGFIVKB-WBMJQRKESA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070576 1030940674 /nfs/dbraw/zinc/94/06/74/1030940674.db2.gz GLJVKHQDGFIVKB-WBMJQRKESA-N 2 1 343.284 3.893 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278474000 1031012896 /nfs/dbraw/zinc/01/28/96/1031012896.db2.gz ODSRXACWUAWNBW-NQIIRXRSSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278474000 1031012914 /nfs/dbraw/zinc/01/29/14/1031012914.db2.gz ODSRXACWUAWNBW-NQIIRXRSSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000483203666 1031028289 /nfs/dbraw/zinc/02/82/89/1031028289.db2.gz QICSBEAHYVVQGD-DENIHFKCSA-N 2 1 337.511 3.989 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000483203666 1031028306 /nfs/dbraw/zinc/02/83/06/1031028306.db2.gz QICSBEAHYVVQGD-DENIHFKCSA-N 2 1 337.511 3.989 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000565079971 1031061348 /nfs/dbraw/zinc/06/13/48/1031061348.db2.gz ANSASYZUQXGHKW-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000565079971 1031061363 /nfs/dbraw/zinc/06/13/63/1031061363.db2.gz ANSASYZUQXGHKW-OAHLLOKOSA-N 2 1 348.487 3.898 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(C(F)(F)F)c1 ZINC000527640833 1031070574 /nfs/dbraw/zinc/07/05/74/1031070574.db2.gz GXRHCFJOSRYFIL-UHFFFAOYSA-N 2 1 342.405 3.678 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4cc[nH]c4c3)c2)CCO1 ZINC000527647040 1031075518 /nfs/dbraw/zinc/07/55/18/1031075518.db2.gz ZRXOZCWHDKPUMI-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4cc[nH]c4c3)c2)CCO1 ZINC000527647040 1031075531 /nfs/dbraw/zinc/07/55/31/1031075531.db2.gz ZRXOZCWHDKPUMI-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP CC[N@H+]1CCC[C@@H](CNCc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527648299 1031076835 /nfs/dbraw/zinc/07/68/35/1031076835.db2.gz WEJSZJZRWZIMBL-ZDUSSCGKSA-N 2 1 330.394 3.536 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527648299 1031076865 /nfs/dbraw/zinc/07/68/65/1031076865.db2.gz WEJSZJZRWZIMBL-ZDUSSCGKSA-N 2 1 330.394 3.536 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC ZINC000666968814 1031095546 /nfs/dbraw/zinc/09/55/46/1031095546.db2.gz JKGRTEUWZUZRDU-YTQUADARSA-N 2 1 346.515 3.837 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527654137 1031115374 /nfs/dbraw/zinc/11/53/74/1031115374.db2.gz PWKLPQJFHKCYJM-AWEZNQCLSA-N 2 1 344.421 3.924 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(C(F)(F)F)c1 ZINC000527654137 1031115384 /nfs/dbraw/zinc/11/53/84/1031115384.db2.gz PWKLPQJFHKCYJM-AWEZNQCLSA-N 2 1 344.421 3.924 20 0 EHADMP FC(F)(F)COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173786393 1031143724 /nfs/dbraw/zinc/14/37/24/1031143724.db2.gz MSSYEHSGBDPEHE-HNNXBMFYSA-N 2 1 342.405 3.545 20 0 EHADMP FC(F)(F)COc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173786393 1031143734 /nfs/dbraw/zinc/14/37/34/1031143734.db2.gz MSSYEHSGBDPEHE-HNNXBMFYSA-N 2 1 342.405 3.545 20 0 EHADMP CN(CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CCCC1 ZINC000551268024 1031180701 /nfs/dbraw/zinc/18/07/01/1031180701.db2.gz MMZVASNLHYMXDH-UHFFFAOYSA-N 2 1 343.559 3.894 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000551268024 1031180703 /nfs/dbraw/zinc/18/07/03/1031180703.db2.gz MMZVASNLHYMXDH-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000551268024 1031180707 /nfs/dbraw/zinc/18/07/07/1031180707.db2.gz MMZVASNLHYMXDH-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C1CCCC1 ZINC000551268024 1031180709 /nfs/dbraw/zinc/18/07/09/1031180709.db2.gz MMZVASNLHYMXDH-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CCCC1 ZINC000551268024 1031180712 /nfs/dbraw/zinc/18/07/12/1031180712.db2.gz MMZVASNLHYMXDH-UHFFFAOYSA-N 3 1 343.559 3.894 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000483494968 1031192611 /nfs/dbraw/zinc/19/26/11/1031192611.db2.gz WZFCDIPWQWWEBA-GUYCJALGSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000483494968 1031192622 /nfs/dbraw/zinc/19/26/22/1031192622.db2.gz WZFCDIPWQWWEBA-GUYCJALGSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000483494968 1031192629 /nfs/dbraw/zinc/19/26/29/1031192629.db2.gz WZFCDIPWQWWEBA-GUYCJALGSA-N 2 1 343.298 3.788 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159927 1031469799 /nfs/dbraw/zinc/46/97/99/1031469799.db2.gz ZXMNNTKFMXBKDB-SNVBAGLBSA-N 2 1 327.259 3.821 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152194 1031472972 /nfs/dbraw/zinc/47/29/72/1031472972.db2.gz PFHRZBQUDPQIDZ-VCOUNFBDSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152194 1031472982 /nfs/dbraw/zinc/47/29/82/1031472982.db2.gz PFHRZBQUDPQIDZ-VCOUNFBDSA-N 2 1 338.495 3.529 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000527929254 1031492033 /nfs/dbraw/zinc/49/20/33/1031492033.db2.gz PHGVHHXPNUALAM-MBDNFAEBSA-N 2 1 342.527 3.693 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177295435 1031553800 /nfs/dbraw/zinc/55/38/00/1031553800.db2.gz MJESUCZKTINVEW-OLZOCXBDSA-N 2 1 336.277 3.941 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000484489463 1031612019 /nfs/dbraw/zinc/61/20/19/1031612019.db2.gz WQPMOPWWWSODFZ-AUUYWEPGSA-N 2 1 330.497 3.854 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000484489463 1031612030 /nfs/dbraw/zinc/61/20/30/1031612030.db2.gz WQPMOPWWWSODFZ-AUUYWEPGSA-N 2 1 330.497 3.854 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178098807 1031623365 /nfs/dbraw/zinc/62/33/65/1031623365.db2.gz ZVIOQHIDXAIPCR-QQMNAOGKSA-N 2 1 336.545 3.587 20 0 EHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178248734 1031645865 /nfs/dbraw/zinc/64/58/65/1031645865.db2.gz HEEPISVDGIMZLL-LPHOPBHVSA-N 2 1 337.467 3.557 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551806055 1031665593 /nfs/dbraw/zinc/66/55/93/1031665593.db2.gz LZGQGVSSQFWDCX-MSOLQXFVSA-N 2 1 332.536 3.764 20 0 EHADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000584144879 1031809359 /nfs/dbraw/zinc/80/93/59/1031809359.db2.gz SQQNZXCJLWOXMV-GOTSBHOMSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000584144879 1031809378 /nfs/dbraw/zinc/80/93/78/1031809378.db2.gz SQQNZXCJLWOXMV-GOTSBHOMSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccc(CCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000584144879 1031809387 /nfs/dbraw/zinc/80/93/87/1031809387.db2.gz SQQNZXCJLWOXMV-GOTSBHOMSA-N 2 1 349.522 3.777 20 0 EHADMP CCCn1cc(CN(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000180100257 1031840662 /nfs/dbraw/zinc/84/06/62/1031840662.db2.gz WBCCPOWOHBQODT-HXUWFJFHSA-N 2 1 340.515 3.637 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000537951135 1032036437 /nfs/dbraw/zinc/03/64/37/1032036437.db2.gz ZRQGVLMIQNHRAW-FPOVZHCZSA-N 2 1 344.543 3.736 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657837430 1032038593 /nfs/dbraw/zinc/03/85/93/1032038593.db2.gz FUOLKUKFPYUNDP-PXNSSMCTSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000657837184 1032042043 /nfs/dbraw/zinc/04/20/43/1032042043.db2.gz REZGKBBDPSYGQM-YLJYHZDGSA-N 2 1 338.499 3.882 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641789273 1033501866 /nfs/dbraw/zinc/50/18/66/1033501866.db2.gz NKALVLSASLRQAW-OAQYLSRUSA-N 2 1 329.532 3.535 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000044532847 1033508954 /nfs/dbraw/zinc/50/89/54/1033508954.db2.gz UIUXHUNHOMSXHM-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP Cc1ccc([C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000173748522 1033517315 /nfs/dbraw/zinc/51/73/15/1033517315.db2.gz FRGRYPZGILGCTG-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccc([C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000173748522 1033517320 /nfs/dbraw/zinc/51/73/20/1033517320.db2.gz FRGRYPZGILGCTG-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000173748522 1033517333 /nfs/dbraw/zinc/51/73/33/1033517333.db2.gz FRGRYPZGILGCTG-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000173748522 1033517336 /nfs/dbraw/zinc/51/73/36/1033517336.db2.gz FRGRYPZGILGCTG-IRFCIJBXSA-N 2 1 330.516 3.615 20 0 EHADMP CCn1cc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000574778899 1033559444 /nfs/dbraw/zinc/55/94/44/1033559444.db2.gz PPZONCVWPRLMDH-UHFFFAOYSA-N 2 1 326.488 3.521 20 0 EHADMP Cc1nc(C)c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000685566084 1033569131 /nfs/dbraw/zinc/56/91/31/1033569131.db2.gz VJVXIJHHWZARCN-OAQYLSRUSA-N 2 1 339.483 3.780 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(C(=O)OC(C)(C)C)cc2)CC1(C)C ZINC000598960904 1033595814 /nfs/dbraw/zinc/59/58/14/1033595814.db2.gz HGPSGQKSYXWSAD-KRWDZBQOSA-N 2 1 332.488 3.604 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1(C)C ZINC000598960904 1033595829 /nfs/dbraw/zinc/59/58/29/1033595829.db2.gz HGPSGQKSYXWSAD-KRWDZBQOSA-N 2 1 332.488 3.604 20 0 EHADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000550605765 1033724280 /nfs/dbraw/zinc/72/42/80/1033724280.db2.gz ATKIDDHREKTQDG-BHIFYINESA-N 2 1 337.511 3.714 20 0 EHADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550612359 1033730559 /nfs/dbraw/zinc/73/05/59/1033730559.db2.gz NDPQMKADISXMGQ-YTFSRNRJSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550612359 1033730576 /nfs/dbraw/zinc/73/05/76/1033730576.db2.gz NDPQMKADISXMGQ-YTFSRNRJSA-N 2 1 349.522 3.686 20 0 EHADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550612359 1033730592 /nfs/dbraw/zinc/73/05/92/1033730592.db2.gz NDPQMKADISXMGQ-YTFSRNRJSA-N 2 1 349.522 3.686 20 0 EHADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000550648191 1033815518 /nfs/dbraw/zinc/81/55/18/1033815518.db2.gz YHOSCPURRGVDEH-RTWAWAEBSA-N 2 1 331.548 3.920 20 0 EHADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019629 1033846226 /nfs/dbraw/zinc/84/62/26/1033846226.db2.gz SXJJNJMBIRDHNR-WOJBJXKFSA-N 2 1 338.499 3.610 20 0 EHADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019629 1033846244 /nfs/dbraw/zinc/84/62/44/1033846244.db2.gz SXJJNJMBIRDHNR-WOJBJXKFSA-N 2 1 338.499 3.610 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cncc4ccccc43)C2)cc1 ZINC000311211227 1033898974 /nfs/dbraw/zinc/89/89/74/1033898974.db2.gz PHUKRMBIHITVRR-LJQANCHMSA-N 2 1 331.463 3.847 20 0 EHADMP Cc1ccncc1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658121735 1033979969 /nfs/dbraw/zinc/97/99/69/1033979969.db2.gz CBJHKYFHRSYQNP-UHFFFAOYSA-N 2 1 337.511 3.965 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000658178118 1034045318 /nfs/dbraw/zinc/04/53/18/1034045318.db2.gz ZNZPTGUXJUPNAT-PZJWPPBQSA-N 2 1 332.532 3.573 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000658178116 1034045468 /nfs/dbraw/zinc/04/54/68/1034045468.db2.gz ZNZPTGUXJUPNAT-CTNGQTDRSA-N 2 1 332.532 3.573 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658236629 1034105380 /nfs/dbraw/zinc/10/53/80/1034105380.db2.gz KCOPZFHPWHSBGE-NBCNXNJRSA-N 2 1 336.479 3.880 20 0 EHADMP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CCC([NH+](C)C)CC1 ZINC001168328439 1034187733 /nfs/dbraw/zinc/18/77/33/1034187733.db2.gz GOLKZOPXQOWXRI-LMDPOFIKSA-N 2 1 345.531 3.907 20 0 EHADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)C2CCC([NH+](C)C)CC2)CC1 ZINC001168330295 1034215303 /nfs/dbraw/zinc/21/53/03/1034215303.db2.gz OSWSXUQNFULGBK-UHFFFAOYSA-N 2 1 347.522 3.595 20 0 EHADMP C[C@H](O)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000658361908 1034244207 /nfs/dbraw/zinc/24/42/07/1034244207.db2.gz PLXOPAMPPPZFEV-GPHNJDIKSA-N 2 1 338.495 3.609 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@@H]1c1ccccc1 ZINC000340244680 1034478056 /nfs/dbraw/zinc/47/80/56/1034478056.db2.gz KDCSNUMHZKVTLQ-IFMALSPDSA-N 2 1 346.478 3.797 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)C[C@@H]1c1ccccc1 ZINC000340244680 1034478066 /nfs/dbraw/zinc/47/80/66/1034478066.db2.gz KDCSNUMHZKVTLQ-IFMALSPDSA-N 2 1 346.478 3.797 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340351327 1034487479 /nfs/dbraw/zinc/48/74/79/1034487479.db2.gz AFYFSOWNLNKKKM-ZTFGCOKTSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340351327 1034487488 /nfs/dbraw/zinc/48/74/88/1034487488.db2.gz AFYFSOWNLNKKKM-ZTFGCOKTSA-N 2 1 329.513 3.980 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594616 1034567395 /nfs/dbraw/zinc/56/73/95/1034567395.db2.gz CWGKVNYKIORENT-PXNSSMCTSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cc1 ZINC000450594616 1034567404 /nfs/dbraw/zinc/56/74/04/1034567404.db2.gz CWGKVNYKIORENT-PXNSSMCTSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594616 1034567416 /nfs/dbraw/zinc/56/74/16/1034567416.db2.gz CWGKVNYKIORENT-PXNSSMCTSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594616 1034567423 /nfs/dbraw/zinc/56/74/23/1034567423.db2.gz CWGKVNYKIORENT-PXNSSMCTSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594616 1034567432 /nfs/dbraw/zinc/56/74/32/1034567432.db2.gz CWGKVNYKIORENT-PXNSSMCTSA-N 2 1 344.474 3.737 20 0 EHADMP O=C(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000450594616 1034567438 /nfs/dbraw/zinc/56/74/38/1034567438.db2.gz CWGKVNYKIORENT-PXNSSMCTSA-N 2 1 344.474 3.737 20 0 EHADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000375852017 1034721698 /nfs/dbraw/zinc/72/16/98/1034721698.db2.gz MXUHHXUQVLQLJD-HMXCVIKNSA-N 2 1 342.527 3.506 20 0 EHADMP Cc1ccc2c(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)ccc(O)c2n1 ZINC000548918462 1034799111 /nfs/dbraw/zinc/79/91/11/1034799111.db2.gz SURCVORYNWBRKW-UHFFFAOYSA-N 2 1 341.499 3.801 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CCCC4)C2)cc1 ZINC000390646633 1034823641 /nfs/dbraw/zinc/82/36/41/1034823641.db2.gz MIZHMPCYUSFWMT-NHCUHLMSSA-N 2 1 342.527 3.980 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CCCC4)C2)cc1 ZINC000390646633 1034823656 /nfs/dbraw/zinc/82/36/56/1034823656.db2.gz MIZHMPCYUSFWMT-NHCUHLMSSA-N 2 1 342.527 3.980 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000548931898 1034962920 /nfs/dbraw/zinc/96/29/20/1034962920.db2.gz GRAHLBZCZIAGSG-PMACEKPBSA-N 2 1 330.516 3.836 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000548931898 1034962931 /nfs/dbraw/zinc/96/29/31/1034962931.db2.gz GRAHLBZCZIAGSG-PMACEKPBSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431737987 1035399113 /nfs/dbraw/zinc/39/91/13/1035399113.db2.gz HQVWOTMCBMXRTI-QUCCMNQESA-N 2 1 349.563 3.554 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431737987 1035399117 /nfs/dbraw/zinc/39/91/17/1035399117.db2.gz HQVWOTMCBMXRTI-QUCCMNQESA-N 2 1 349.563 3.554 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431737987 1035399121 /nfs/dbraw/zinc/39/91/21/1035399121.db2.gz HQVWOTMCBMXRTI-QUCCMNQESA-N 2 1 349.563 3.554 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)c1 ZINC000414080792 1035452706 /nfs/dbraw/zinc/45/27/06/1035452706.db2.gz UUBNRYOQOSRYKR-INIZCTEOSA-N 2 1 326.488 3.522 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000429781890 1035517495 /nfs/dbraw/zinc/51/74/95/1035517495.db2.gz FIYUYJWRXVEXMF-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000429781890 1035517507 /nfs/dbraw/zinc/51/75/07/1035517507.db2.gz FIYUYJWRXVEXMF-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000429781890 1035517515 /nfs/dbraw/zinc/51/75/15/1035517515.db2.gz FIYUYJWRXVEXMF-BLLLJJGKSA-N 2 1 343.284 3.750 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168379335 1035535661 /nfs/dbraw/zinc/53/56/61/1035535661.db2.gz IAVBWKWNEMKHTF-LJQANCHMSA-N 2 1 344.499 3.715 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000761438824 1035611719 /nfs/dbraw/zinc/61/17/19/1035611719.db2.gz YJERBIWLJZDHMO-SFHLNBCPSA-N 2 1 328.500 3.640 20 0 EHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000761438824 1035611728 /nfs/dbraw/zinc/61/17/28/1035611728.db2.gz YJERBIWLJZDHMO-SFHLNBCPSA-N 2 1 328.500 3.640 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)[nH+]c1 ZINC000414129813 1035663066 /nfs/dbraw/zinc/66/30/66/1035663066.db2.gz VLSSNLTVKVJTIX-QZTJIDSGSA-N 2 1 345.531 3.931 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCCC2(CC2)C1)C1CC[NH+](C)CC1 ZINC000186626705 1035676459 /nfs/dbraw/zinc/67/64/59/1035676459.db2.gz LGEQCEVMSLZLDL-UHFFFAOYSA-N 2 1 327.516 3.593 20 0 EHADMP C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492355709 1035692555 /nfs/dbraw/zinc/69/25/55/1035692555.db2.gz YPZYQMKXELOFEQ-TZIWHRDSSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152361623 1035759418 /nfs/dbraw/zinc/75/94/18/1035759418.db2.gz HUPQJOHQPJXQHS-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152361623 1035759432 /nfs/dbraw/zinc/75/94/32/1035759432.db2.gz HUPQJOHQPJXQHS-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152361623 1035759450 /nfs/dbraw/zinc/75/94/50/1035759450.db2.gz HUPQJOHQPJXQHS-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152361623 1035759460 /nfs/dbraw/zinc/75/94/60/1035759460.db2.gz HUPQJOHQPJXQHS-ZIAGYGMSSA-N 2 1 325.294 3.784 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000282472012 1035808410 /nfs/dbraw/zinc/80/84/10/1035808410.db2.gz KUGACSLPGOCOQK-OAQYLSRUSA-N 2 1 338.495 3.569 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000282472012 1035808432 /nfs/dbraw/zinc/80/84/32/1035808432.db2.gz KUGACSLPGOCOQK-OAQYLSRUSA-N 2 1 338.495 3.569 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCSc2ccncc2)C1 ZINC000929646481 1035848419 /nfs/dbraw/zinc/84/84/19/1035848419.db2.gz LZZAKXCYIDRSHO-ZWKOTPCHSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCSc2ccncc2)C1 ZINC000929646481 1035848437 /nfs/dbraw/zinc/84/84/37/1035848437.db2.gz LZZAKXCYIDRSHO-ZWKOTPCHSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCSc2ccncc2)C1 ZINC000929646481 1035848451 /nfs/dbraw/zinc/84/84/51/1035848451.db2.gz LZZAKXCYIDRSHO-ZWKOTPCHSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCSc2ccncc2)C1 ZINC000929646481 1035848457 /nfs/dbraw/zinc/84/84/57/1035848457.db2.gz LZZAKXCYIDRSHO-ZWKOTPCHSA-N 2 1 333.545 3.760 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000414169003 1035863832 /nfs/dbraw/zinc/86/38/32/1035863832.db2.gz ASJSJZQRMMQJTL-JXFKEZNVSA-N 2 1 327.447 3.632 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171281 1035876275 /nfs/dbraw/zinc/87/62/75/1035876275.db2.gz DBXMHRUHRNVYLF-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000572011811 1035946126 /nfs/dbraw/zinc/94/61/26/1035946126.db2.gz KLJUOAHRNIVNLO-IRXDYDNUSA-N 2 1 326.440 3.669 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1OC(F)F ZINC000414197535 1036006240 /nfs/dbraw/zinc/00/62/40/1036006240.db2.gz WPAIDVUKRLDJCR-CHWSQXEVSA-N 2 1 330.394 3.810 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000414245962 1036262885 /nfs/dbraw/zinc/26/28/85/1036262885.db2.gz RRYBDTOJEYNXGO-HUUCEWRRSA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414245962 1036262903 /nfs/dbraw/zinc/26/29/03/1036262903.db2.gz RRYBDTOJEYNXGO-HUUCEWRRSA-N 2 1 343.696 3.819 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414258779 1036325008 /nfs/dbraw/zinc/32/50/08/1036325008.db2.gz HJUSSZSCUYBNJA-XLIONFOSSA-N 2 1 330.516 3.692 20 0 EHADMP CSC1(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC[NH+](C)CC1 ZINC000589345399 1036356746 /nfs/dbraw/zinc/35/67/46/1036356746.db2.gz FRFGVCHXZSMYQO-MRXNPFEDSA-N 2 1 342.499 3.670 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000414272787 1036397065 /nfs/dbraw/zinc/39/70/65/1036397065.db2.gz YLWCYKASHAXSLM-UMCPIABWSA-N 2 1 330.516 3.833 20 0 EHADMP CC[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746525 1036595275 /nfs/dbraw/zinc/59/52/75/1036595275.db2.gz YOVHLVIYBNYXGT-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746525 1036595284 /nfs/dbraw/zinc/59/52/84/1036595284.db2.gz YOVHLVIYBNYXGT-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000541746525 1036595296 /nfs/dbraw/zinc/59/52/96/1036595296.db2.gz YOVHLVIYBNYXGT-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472587489 1036694407 /nfs/dbraw/zinc/69/44/07/1036694407.db2.gz XQBAEKMNDZWUHM-PZJWPPBQSA-N 2 1 331.548 3.703 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000648470887 1036781398 /nfs/dbraw/zinc/78/13/98/1036781398.db2.gz YNYGEZRVTKLIIY-GBMAXXPESA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]([NH2+]CCCOc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310836267 1036913099 /nfs/dbraw/zinc/91/30/99/1036913099.db2.gz MTJJMOOOAUPTGO-CTNGQTDRSA-N 2 1 338.495 3.956 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000590787151 1037056985 /nfs/dbraw/zinc/05/69/85/1037056985.db2.gz SVDRLYHXZJHDTC-AWEZNQCLSA-N 2 1 348.516 3.911 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000590787151 1037057004 /nfs/dbraw/zinc/05/70/04/1037057004.db2.gz SVDRLYHXZJHDTC-AWEZNQCLSA-N 2 1 348.516 3.911 20 0 EHADMP Fc1cccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000647542424 1037080620 /nfs/dbraw/zinc/08/06/20/1037080620.db2.gz FSHDJNRGWUPYHV-WIYYLYMNSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1cccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000647542424 1037080630 /nfs/dbraw/zinc/08/06/30/1037080630.db2.gz FSHDJNRGWUPYHV-WIYYLYMNSA-N 2 1 340.442 3.589 20 0 EHADMP Fc1cccc2c1SCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188226 1037109206 /nfs/dbraw/zinc/10/92/06/1037109206.db2.gz NHBURCHDVFPCNK-QGZVFWFLSA-N 2 1 331.460 3.527 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739433 1037139572 /nfs/dbraw/zinc/13/95/72/1037139572.db2.gz GQZFQMJVLQDQPY-APWZRJJASA-N 2 1 334.467 3.896 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739433 1037139582 /nfs/dbraw/zinc/13/95/82/1037139582.db2.gz GQZFQMJVLQDQPY-APWZRJJASA-N 2 1 334.467 3.896 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C3CC(c4ccccc4)C3)CCCC2)CC1 ZINC000542178819 1037152821 /nfs/dbraw/zinc/15/28/21/1037152821.db2.gz LFXKGAPMSUXMPB-UHFFFAOYSA-N 2 1 342.527 3.946 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000653656974 1037175179 /nfs/dbraw/zinc/17/51/79/1037175179.db2.gz BFJLYHMWLVEUFJ-UHFFFAOYSA-N 2 1 335.854 3.967 20 0 EHADMP C[N@@H+](CCc1cccc(F)c1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542280619 1037242180 /nfs/dbraw/zinc/24/21/80/1037242180.db2.gz SAEIBLCCOFTWMZ-GOSISDBHSA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1cccc(F)c1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542280619 1037242197 /nfs/dbraw/zinc/24/21/97/1037242197.db2.gz SAEIBLCCOFTWMZ-GOSISDBHSA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1cccc(F)c1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542280619 1037242210 /nfs/dbraw/zinc/24/22/10/1037242210.db2.gz SAEIBLCCOFTWMZ-GOSISDBHSA-N 2 1 344.449 3.961 20 0 EHADMP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@@H+]1C ZINC000462877999 1037506590 /nfs/dbraw/zinc/50/65/90/1037506590.db2.gz KDHDMGPYYPAHMH-WCQYABFASA-N 2 1 334.261 3.892 20 0 EHADMP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(Br)ccc23)CC[N@H+]1C ZINC000462877999 1037506603 /nfs/dbraw/zinc/50/66/03/1037506603.db2.gz KDHDMGPYYPAHMH-WCQYABFASA-N 2 1 334.261 3.892 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000532508862 1037535990 /nfs/dbraw/zinc/53/59/90/1037535990.db2.gz PATQVCXXTJTSKR-MJQMVNBJSA-N 2 1 333.520 3.713 20 0 EHADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000532508862 1037536001 /nfs/dbraw/zinc/53/60/01/1037536001.db2.gz PATQVCXXTJTSKR-MJQMVNBJSA-N 2 1 333.520 3.713 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000540152068 1037622153 /nfs/dbraw/zinc/62/21/53/1037622153.db2.gz WVHNHDLICGTKTA-XJKSGUPXSA-N 2 1 339.321 3.657 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643259 1037631195 /nfs/dbraw/zinc/63/11/95/1037631195.db2.gz SHTGESNNHAEADY-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(F)cc2)C1 ZINC000303643259 1037631204 /nfs/dbraw/zinc/63/12/04/1037631204.db2.gz SHTGESNNHAEADY-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000303643259 1037631221 /nfs/dbraw/zinc/63/12/21/1037631221.db2.gz SHTGESNNHAEADY-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000303643259 1037631232 /nfs/dbraw/zinc/63/12/32/1037631232.db2.gz SHTGESNNHAEADY-QZTJIDSGSA-N 2 1 334.479 3.791 20 0 EHADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073469 1037735789 /nfs/dbraw/zinc/73/57/89/1037735789.db2.gz WNRUWHYCFMRLRU-RZUBCFFCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073469 1037735806 /nfs/dbraw/zinc/73/58/06/1037735806.db2.gz WNRUWHYCFMRLRU-RZUBCFFCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073469 1037735818 /nfs/dbraw/zinc/73/58/18/1037735818.db2.gz WNRUWHYCFMRLRU-RZUBCFFCSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000463073469 1037735834 /nfs/dbraw/zinc/73/58/34/1037735834.db2.gz WNRUWHYCFMRLRU-RZUBCFFCSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463088826 1037749140 /nfs/dbraw/zinc/74/91/40/1037749140.db2.gz YKEDKSHRXFEFRK-KNQAVFIVSA-N 2 1 344.543 3.878 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183145668 1037933107 /nfs/dbraw/zinc/93/31/07/1037933107.db2.gz FUKQKQKHRNXPRP-PCCBWWKXSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000378180712 1038149166 /nfs/dbraw/zinc/14/91/66/1038149166.db2.gz ADPRGPYYSQPLHM-LPHOPBHVSA-N 2 1 349.482 3.914 20 0 EHADMP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000378180713 1038149980 /nfs/dbraw/zinc/14/99/80/1038149980.db2.gz ADPRGPYYSQPLHM-QFBILLFUSA-N 2 1 349.482 3.914 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000125526707 1038338235 /nfs/dbraw/zinc/33/82/35/1038338235.db2.gz RAAFNUFILPTDJA-SFHVURJKSA-N 2 1 343.446 3.706 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000125526707 1038338246 /nfs/dbraw/zinc/33/82/46/1038338246.db2.gz RAAFNUFILPTDJA-SFHVURJKSA-N 2 1 343.446 3.706 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CO1 ZINC000659980712 1038599614 /nfs/dbraw/zinc/59/96/14/1038599614.db2.gz YLUJEGJPVGZVJG-TZIWHRDSSA-N 2 1 328.500 3.542 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000539040399 1038649652 /nfs/dbraw/zinc/64/96/52/1038649652.db2.gz AEOWZIMERWGHBJ-UNMCSNQZSA-N 2 1 346.559 3.881 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000539042432 1038650768 /nfs/dbraw/zinc/65/07/68/1038650768.db2.gz HMACHRFEVPBKAU-HRAATJIYSA-N 2 1 342.458 3.835 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000539063421 1038662133 /nfs/dbraw/zinc/66/21/33/1038662133.db2.gz DVVZPKVQZMEIQD-RXVVDRJESA-N 2 1 344.543 3.518 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C[C@H](C)O1 ZINC000539071457 1038670457 /nfs/dbraw/zinc/67/04/57/1038670457.db2.gz IIJOBEVJGLQCJY-KJNZLNQQSA-N 2 1 348.506 3.941 20 0 EHADMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000924687263 1038726061 /nfs/dbraw/zinc/72/60/61/1038726061.db2.gz OCLOFUWAYBBUNG-LMNJBCLMSA-N 2 1 346.563 3.541 20 0 EHADMP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462108909 1038757774 /nfs/dbraw/zinc/75/77/74/1038757774.db2.gz HZHURSQYHGWEKT-SFHVURJKSA-N 2 1 338.495 3.620 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073554 1038857916 /nfs/dbraw/zinc/85/79/16/1038857916.db2.gz MTKJZOKXGFDABB-RBBKRZOGSA-N 2 1 338.495 3.528 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000554073554 1038857943 /nfs/dbraw/zinc/85/79/43/1038857943.db2.gz MTKJZOKXGFDABB-RBBKRZOGSA-N 2 1 338.495 3.528 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000924830251 1038878585 /nfs/dbraw/zinc/87/85/85/1038878585.db2.gz WATUOMGUVUOMBX-SFTDATJTSA-N 2 1 330.516 3.822 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552110671 1038970571 /nfs/dbraw/zinc/97/05/71/1038970571.db2.gz ZBCLITADCLLXRB-DILWRCETSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552110671 1038970597 /nfs/dbraw/zinc/97/05/97/1038970597.db2.gz ZBCLITADCLLXRB-DILWRCETSA-N 2 1 328.500 3.654 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552110671 1038970610 /nfs/dbraw/zinc/97/06/10/1038970610.db2.gz ZBCLITADCLLXRB-DILWRCETSA-N 2 1 328.500 3.654 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)CCC2)cc1 ZINC000552283424 1039135687 /nfs/dbraw/zinc/13/56/87/1039135687.db2.gz CQITXBYPMQAQBT-ZCNNSNEGSA-N 2 1 328.500 3.579 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282538403 1039136788 /nfs/dbraw/zinc/13/67/88/1039136788.db2.gz WDZUWKHQNQMYTD-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276937 1039149266 /nfs/dbraw/zinc/14/92/66/1039149266.db2.gz MFDCGCVQPPKQPI-IEBWSBKVSA-N 2 1 332.536 3.989 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000552276937 1039149277 /nfs/dbraw/zinc/14/92/77/1039149277.db2.gz MFDCGCVQPPKQPI-IEBWSBKVSA-N 2 1 332.536 3.989 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000552280532 1039153202 /nfs/dbraw/zinc/15/32/02/1039153202.db2.gz KQGJYCRFSLDRQG-QXAKKESOSA-N 2 1 328.500 3.579 20 0 EHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000488426347 1039164541 /nfs/dbraw/zinc/16/45/41/1039164541.db2.gz HURSOOFJANKQJO-RTBURBONSA-N 2 1 348.556 3.529 20 0 EHADMP CC1(O)CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517025 1039185931 /nfs/dbraw/zinc/18/59/31/1039185931.db2.gz HGBNWAKAGAQIPN-BJOMATTFSA-N 2 1 342.527 3.570 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C[C@@H]4CCC=CO4)CC[C@@H]3C2)cc1 ZINC000898518699 1039189574 /nfs/dbraw/zinc/18/95/74/1039189574.db2.gz JMSROPIHXFTHHA-MHTWAQMVSA-N 2 1 326.484 3.569 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C[C@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC000898520249 1039191449 /nfs/dbraw/zinc/19/14/49/1039191449.db2.gz WQYQUKIWALWMCI-YSTOQKLRSA-N 2 1 330.541 3.630 20 0 EHADMP CCCOc1c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cccc1OCC ZINC000062427136 1039540251 /nfs/dbraw/zinc/54/02/51/1039540251.db2.gz YZJHGKKSAXAHEQ-KRWDZBQOSA-N 2 1 334.504 3.694 20 0 EHADMP CCCOc1c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cccc1OCC ZINC000062427136 1039540264 /nfs/dbraw/zinc/54/02/64/1039540264.db2.gz YZJHGKKSAXAHEQ-KRWDZBQOSA-N 2 1 334.504 3.694 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000552920026 1039636512 /nfs/dbraw/zinc/63/65/12/1039636512.db2.gz QRRGOASUQJRAAO-AVRDEDQJSA-N 2 1 344.543 3.518 20 0 EHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000549686832 1039680747 /nfs/dbraw/zinc/68/07/47/1039680747.db2.gz CIVHQEOPJTVPOK-FHWLQOOXSA-N 2 1 338.536 3.743 20 0 EHADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000480565609 1039704798 /nfs/dbraw/zinc/70/47/98/1039704798.db2.gz WDXWCYOIWVSPNE-NJYVYQBISA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000480565609 1039704812 /nfs/dbraw/zinc/70/48/12/1039704812.db2.gz WDXWCYOIWVSPNE-NJYVYQBISA-N 2 1 342.527 3.931 20 0 EHADMP CC1(C)CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000480565609 1039704829 /nfs/dbraw/zinc/70/48/29/1039704829.db2.gz WDXWCYOIWVSPNE-NJYVYQBISA-N 2 1 342.527 3.931 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCC2CCCCCC2)C1 ZINC000554862507 1039826151 /nfs/dbraw/zinc/82/61/51/1039826151.db2.gz KCEBWODAOGFTKG-NRFANRHFSA-N 2 1 330.516 3.703 20 0 EHADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000480705921 1039910685 /nfs/dbraw/zinc/91/06/85/1039910685.db2.gz DZKZJPDQUQBTFJ-OALUTQOASA-N 2 1 347.547 3.542 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000489500872 1040028151 /nfs/dbraw/zinc/02/81/51/1040028151.db2.gz ONWSMRDCCUAJKD-IBGZPJMESA-N 2 1 325.456 3.574 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000489551316 1040067846 /nfs/dbraw/zinc/06/78/46/1040067846.db2.gz OHLUKPUQDORDTP-ZVDOUQERSA-N 2 1 340.511 3.996 20 0 EHADMP CC(C)CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000555169362 1040252547 /nfs/dbraw/zinc/25/25/47/1040252547.db2.gz HNFLSSQMASUNQW-NRFANRHFSA-N 2 1 330.516 3.823 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000479499565 1040306616 /nfs/dbraw/zinc/30/66/16/1040306616.db2.gz OFPSPKUDSRCPKM-COPCDDAFSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000479499565 1040306625 /nfs/dbraw/zinc/30/66/25/1040306625.db2.gz OFPSPKUDSRCPKM-COPCDDAFSA-N 2 1 344.543 3.960 20 0 EHADMP COc1c[nH+]ccc1N1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000481040973 1040306967 /nfs/dbraw/zinc/30/69/67/1040306967.db2.gz SQPVFMMSADQSMC-UHFFFAOYSA-N 2 1 348.450 3.582 20 0 EHADMP Cc1cnccc1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563531746 1040343251 /nfs/dbraw/zinc/34/32/51/1040343251.db2.gz MCAVLMHHAVQUEL-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cnccc1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563531746 1040343266 /nfs/dbraw/zinc/34/32/66/1040343266.db2.gz MCAVLMHHAVQUEL-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cnccc1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000563531746 1040343282 /nfs/dbraw/zinc/34/32/82/1040343282.db2.gz MCAVLMHHAVQUEL-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP Cc1cnccc1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000563531746 1040343296 /nfs/dbraw/zinc/34/32/96/1040343296.db2.gz MCAVLMHHAVQUEL-DENIHFKCSA-N 2 1 337.511 3.917 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000512660145 1040443614 /nfs/dbraw/zinc/44/36/14/1040443614.db2.gz LJJPKECXXLVMBV-PLACYPQZSA-N 2 1 330.516 3.548 20 0 EHADMP CN(c1ccccc1C[N@@H+](C)CC1CCCC1)C1CC[NH+](C)CC1 ZINC000512691529 1040533853 /nfs/dbraw/zinc/53/38/53/1040533853.db2.gz VUGSJONMLGGPHB-UHFFFAOYSA-N 2 1 329.532 3.839 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000411287948 1040678042 /nfs/dbraw/zinc/67/80/42/1040678042.db2.gz ZTFSJPMKDYFPAY-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000411287948 1040678052 /nfs/dbraw/zinc/67/80/52/1040678052.db2.gz ZTFSJPMKDYFPAY-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)[C@@H](C)C1 ZINC000248155081 1040711028 /nfs/dbraw/zinc/71/10/28/1040711028.db2.gz RFYCCVGSNNHDTI-YSSFQJQWSA-N 2 1 334.479 3.540 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157171116 1040764125 /nfs/dbraw/zinc/76/41/25/1040764125.db2.gz PYZZUBHUZCNANB-WBVHZDCISA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157171116 1040764138 /nfs/dbraw/zinc/76/41/38/1040764138.db2.gz PYZZUBHUZCNANB-WBVHZDCISA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157171116 1040764147 /nfs/dbraw/zinc/76/41/47/1040764147.db2.gz PYZZUBHUZCNANB-WBVHZDCISA-N 2 1 342.405 3.544 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(OCC(F)(F)F)cc[nH+]1 ZINC001167754292 1040877025 /nfs/dbraw/zinc/87/70/25/1040877025.db2.gz RDLXBMVRVUOBKX-ZDUSSCGKSA-N 2 1 331.382 3.699 20 0 EHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C ZINC000491059183 1040897528 /nfs/dbraw/zinc/89/75/28/1040897528.db2.gz IDPDOJZDRIJUGZ-IBGZPJMESA-N 2 1 345.531 3.795 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CC3(C)C)CC2)cs1 ZINC000487301816 1040902715 /nfs/dbraw/zinc/90/27/15/1040902715.db2.gz SLFPFCYKBXLZTL-WMLDXEAASA-N 2 1 335.561 3.942 20 0 EHADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561868 1040917275 /nfs/dbraw/zinc/91/72/75/1040917275.db2.gz LAKFVZCQMWYJFU-IRXDYDNUSA-N 2 1 328.422 3.844 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561868 1040917293 /nfs/dbraw/zinc/91/72/93/1040917293.db2.gz LAKFVZCQMWYJFU-IRXDYDNUSA-N 2 1 328.422 3.844 20 0 EHADMP CCc1oc2ccccc2c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785105 1041000328 /nfs/dbraw/zinc/00/03/28/1041000328.db2.gz MBWHGQVIVGIBJC-MRXNPFEDSA-N 2 1 330.472 3.538 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000629549983 1041107978 /nfs/dbraw/zinc/10/79/78/1041107978.db2.gz URVFGFGHGSJDPO-UIFIKXQLSA-N 2 1 345.531 3.628 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000555802790 1041171314 /nfs/dbraw/zinc/17/13/14/1041171314.db2.gz SGIVXJJWVYMFNT-HNNXBMFYSA-N 2 1 326.406 3.869 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccc2OCC)[C@@H](C)C1 ZINC000481717293 1041280984 /nfs/dbraw/zinc/28/09/84/1041280984.db2.gz MQOPWNLQTGTSCD-NSHGMRRFSA-N 2 1 348.531 3.873 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OCC)[C@@H](C)C1 ZINC000481717293 1041281016 /nfs/dbraw/zinc/28/10/16/1041281016.db2.gz MQOPWNLQTGTSCD-NSHGMRRFSA-N 2 1 348.531 3.873 20 0 EHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC001169269054 1132719570 /nfs/dbraw/zinc/71/95/70/1132719570.db2.gz UXUDQCGXRHAAQA-ZDUSSCGKSA-N 2 1 325.294 3.926 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC001169269054 1132719574 /nfs/dbraw/zinc/71/95/74/1132719574.db2.gz UXUDQCGXRHAAQA-ZDUSSCGKSA-N 2 1 325.294 3.926 20 0 EHADMP Brc1sccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000388523147 1041386934 /nfs/dbraw/zinc/38/69/34/1041386934.db2.gz ANMXAUBTFWFUJH-JHJVBQTASA-N 2 1 329.307 3.521 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278838771 1041625933 /nfs/dbraw/zinc/62/59/33/1041625933.db2.gz QRZOIMAPXHWRNB-ZIAGYGMSSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000278838771 1041625935 /nfs/dbraw/zinc/62/59/35/1041625935.db2.gz QRZOIMAPXHWRNB-ZIAGYGMSSA-N 2 1 341.421 3.843 20 0 EHADMP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC001167786888 1042493394 /nfs/dbraw/zinc/49/33/94/1042493394.db2.gz ZZAYDHIVZBJIEQ-UHFFFAOYSA-N 2 1 332.329 3.573 20 0 EHADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662263630 1042640798 /nfs/dbraw/zinc/64/07/98/1042640798.db2.gz OIVWTOYNRJQLLE-SFHVURJKSA-N 2 1 327.497 3.607 20 0 EHADMP c1ccc2oc([C@@H]3CCC[N@H+](Cc4cccc5c4CC[NH2+]C5)C3)nc2c1 ZINC000662261306 1042640855 /nfs/dbraw/zinc/64/08/55/1042640855.db2.gz XNVDOPUWJIWTQZ-GOSISDBHSA-N 2 1 347.462 3.853 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662285729 1042659315 /nfs/dbraw/zinc/65/93/15/1042659315.db2.gz MPISKTIACHDFEF-IHPCNDPISA-N 2 1 330.516 3.702 20 0 EHADMP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317875 1042682963 /nfs/dbraw/zinc/68/29/63/1042682963.db2.gz UTXMMKIMQYTDOL-RHSMWYFYSA-N 2 1 332.467 3.535 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc2c1 ZINC000663347117 1042732931 /nfs/dbraw/zinc/73/29/31/1042732931.db2.gz ZIDVUBKSJHEBIL-INIZCTEOSA-N 2 1 328.456 3.653 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2c1 ZINC000663347117 1042732935 /nfs/dbraw/zinc/73/29/35/1042732935.db2.gz ZIDVUBKSJHEBIL-INIZCTEOSA-N 2 1 328.456 3.653 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(C)C ZINC000663347632 1042737727 /nfs/dbraw/zinc/73/77/27/1042737727.db2.gz QVQCOJNLROSNQH-IBGZPJMESA-N 2 1 346.515 3.694 20 0 EHADMP Cc1ccoc1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000644840770 1042837809 /nfs/dbraw/zinc/83/78/09/1042837809.db2.gz CYVSZQBRGIQVFT-UHFFFAOYSA-N 2 1 328.456 3.695 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000343925886 1042847756 /nfs/dbraw/zinc/84/77/56/1042847756.db2.gz ISENQMNXLDZQAA-DLBZAZTESA-N 2 1 328.504 3.952 20 0 EHADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466175 1042887325 /nfs/dbraw/zinc/88/73/25/1042887325.db2.gz OWAQJKWQFWJQJP-PXNSSMCTSA-N 2 1 328.500 3.784 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467381 1042888214 /nfs/dbraw/zinc/88/82/14/1042888214.db2.gz FFWBNFZLCSCAGE-APWZRJJASA-N 2 1 332.463 3.751 20 0 EHADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467381 1042888216 /nfs/dbraw/zinc/88/82/16/1042888216.db2.gz FFWBNFZLCSCAGE-APWZRJJASA-N 2 1 332.463 3.751 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000166132473 1042925804 /nfs/dbraw/zinc/92/58/04/1042925804.db2.gz QPRLARFOGWMHQJ-WOSRLPQWSA-N 2 1 340.895 3.566 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000166132473 1042925807 /nfs/dbraw/zinc/92/58/07/1042925807.db2.gz QPRLARFOGWMHQJ-WOSRLPQWSA-N 2 1 340.895 3.566 20 0 EHADMP CCc1ccc(C(C)(C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000511996872 1042956595 /nfs/dbraw/zinc/95/65/95/1042956595.db2.gz MJOAQFNPANTKTK-UHFFFAOYSA-N 2 1 331.529 3.835 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001167826029 1042958383 /nfs/dbraw/zinc/95/83/83/1042958383.db2.gz MBEPXZPBHRIADE-SJORKVTESA-N 2 1 326.525 3.551 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001167826593 1042960717 /nfs/dbraw/zinc/96/07/17/1042960717.db2.gz RAXQRPIYICKWPW-KSEOMHKRSA-N 2 1 343.559 3.703 20 0 EHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000585688650 1042967046 /nfs/dbraw/zinc/96/70/46/1042967046.db2.gz CDVFRESIFTVSJG-KRWDZBQOSA-N 2 1 349.519 3.506 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432371259 1043017809 /nfs/dbraw/zinc/01/78/09/1043017809.db2.gz XUTYTXSTMIDLFA-ZDUSSCGKSA-N 2 1 331.287 3.584 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001167834755 1043026493 /nfs/dbraw/zinc/02/64/93/1043026493.db2.gz MQEKIZVNUMZUAX-GOSISDBHSA-N 2 1 335.511 3.848 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001167836833 1043042590 /nfs/dbraw/zinc/04/25/90/1043042590.db2.gz HXBDWLVKQUZMSW-SJORKVTESA-N 2 1 336.524 3.883 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001167836603 1043043042 /nfs/dbraw/zinc/04/30/42/1043043042.db2.gz FQNVMEPYTODLPF-YLJYHZDGSA-N 2 1 336.495 3.884 20 0 EHADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000344023541 1043115182 /nfs/dbraw/zinc/11/51/82/1043115182.db2.gz OLBZOAVOFMUTKP-NHYWBVRUSA-N 2 1 331.273 3.969 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001167841867 1043126354 /nfs/dbraw/zinc/12/63/54/1043126354.db2.gz SRCSETYDKOCBEA-SWLSCSKDSA-N 2 1 332.414 3.853 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419327 1043153030 /nfs/dbraw/zinc/15/30/30/1043153030.db2.gz BCWKHILCWCIHAV-GJZGRUSLSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419327 1043153032 /nfs/dbraw/zinc/15/30/32/1043153032.db2.gz BCWKHILCWCIHAV-GJZGRUSLSA-N 2 1 344.421 3.857 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638721118 1043309417 /nfs/dbraw/zinc/30/94/17/1043309417.db2.gz XMODGLCMZMLISZ-UYAOXDASSA-N 2 1 328.500 3.761 20 0 EHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638721118 1043309424 /nfs/dbraw/zinc/30/94/24/1043309424.db2.gz XMODGLCMZMLISZ-UYAOXDASSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Br ZINC001139730340 1043902051 /nfs/dbraw/zinc/90/20/51/1043902051.db2.gz SDDTVKKJDHTMLN-UHFFFAOYSA-N 2 1 337.305 3.675 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337346123 1044169668 /nfs/dbraw/zinc/16/96/68/1044169668.db2.gz VVKONEWJUOTBCM-RCLSDMTESA-N 2 1 345.531 3.587 20 0 EHADMP c1cc(C[N@H+](CCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432668587 1044658229 /nfs/dbraw/zinc/65/82/29/1044658229.db2.gz JSFFRUDXDKMDER-IBGZPJMESA-N 2 1 342.508 3.771 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C[NH+]1CCCC1 ZINC000185073476 1126749609 /nfs/dbraw/zinc/74/96/09/1126749609.db2.gz CDBVVVRBUFAWOY-CHWSQXEVSA-N 2 1 341.293 3.537 20 0 EHADMP Fc1cncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000336731465 1126806484 /nfs/dbraw/zinc/80/64/84/1126806484.db2.gz YWIHMWCROYXUNB-GOSISDBHSA-N 2 1 327.447 3.613 20 0 EHADMP Fc1cncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000336731465 1126806486 /nfs/dbraw/zinc/80/64/86/1126806486.db2.gz YWIHMWCROYXUNB-GOSISDBHSA-N 2 1 327.447 3.613 20 0 EHADMP COC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000340442476 1126853602 /nfs/dbraw/zinc/85/36/02/1126853602.db2.gz WVBVEMVUDUMYDR-IHWFROFDSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC[N@H+]1C ZINC000174513272 1126854742 /nfs/dbraw/zinc/85/47/42/1126854742.db2.gz VINXVFXAYKMYFQ-OXQOHEQNSA-N 2 1 342.458 3.977 20 0 EHADMP C[N@H+]1CC[C@H](NCc2cc(F)cc(Br)c2)CC1(C)C ZINC000623371157 1126932671 /nfs/dbraw/zinc/93/26/71/1126932671.db2.gz RQOWQZUUVVSHAZ-AWEZNQCLSA-N 2 1 329.257 3.551 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1(C)C ZINC000623371157 1126932673 /nfs/dbraw/zinc/93/26/73/1126932673.db2.gz RQOWQZUUVVSHAZ-AWEZNQCLSA-N 2 1 329.257 3.551 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000623441418 1126956716 /nfs/dbraw/zinc/95/67/16/1126956716.db2.gz SGVAJOCKXFVSRD-VQIMIIECSA-N 2 1 334.467 3.706 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000623441418 1126956718 /nfs/dbraw/zinc/95/67/18/1126956718.db2.gz SGVAJOCKXFVSRD-VQIMIIECSA-N 2 1 334.467 3.706 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528599 1126976367 /nfs/dbraw/zinc/97/63/67/1126976367.db2.gz VLRFSHYLXTZGJB-HKUYNNGSSA-N 2 1 328.500 3.543 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000178029401 1127005280 /nfs/dbraw/zinc/00/52/80/1127005280.db2.gz MLWUSBYEQUTNKL-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000178029401 1127005283 /nfs/dbraw/zinc/00/52/83/1127005283.db2.gz MLWUSBYEQUTNKL-RYUDHWBXSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430740 1127154947 /nfs/dbraw/zinc/15/49/47/1127154947.db2.gz LMKPLEKAOMDCJP-XJKSGUPXSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430740 1127154948 /nfs/dbraw/zinc/15/49/48/1127154948.db2.gz LMKPLEKAOMDCJP-XJKSGUPXSA-N 2 1 337.305 3.901 20 0 EHADMP C[C@H]1C[C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CC[N@H+]1C ZINC000351197077 1127153071 /nfs/dbraw/zinc/15/30/71/1127153071.db2.gz YIZNDBMYBSHUEA-YJBOKZPZSA-N 2 1 340.471 3.530 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623898598 1127209733 /nfs/dbraw/zinc/20/97/33/1127209733.db2.gz MOINRGJEVIUGDS-MRXNPFEDSA-N 2 1 337.471 3.723 20 0 EHADMP Cc1csc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n1 ZINC000623892793 1127211460 /nfs/dbraw/zinc/21/14/60/1127211460.db2.gz ZDFGAHSZSOLSIZ-AWEZNQCLSA-N 2 1 348.516 3.619 20 0 EHADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624110154 1127253103 /nfs/dbraw/zinc/25/31/03/1127253103.db2.gz QQHCTLJOKZYXST-NCYKPQTJSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123539 1127257156 /nfs/dbraw/zinc/25/71/56/1127257156.db2.gz NTPZFLAYBCJYQJ-LSDHHAIUSA-N 2 1 328.422 3.958 20 0 EHADMP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000183329704 1127372704 /nfs/dbraw/zinc/37/27/04/1127372704.db2.gz MTQLFXQKLUXLQK-UHFFFAOYSA-N 2 1 348.384 3.540 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[NH+]1CCCCC1 ZINC000184500616 1127406508 /nfs/dbraw/zinc/40/65/08/1127406508.db2.gz WVTLUKPPIKZACI-MOPGFXCFSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758624 1127431512 /nfs/dbraw/zinc/43/15/12/1127431512.db2.gz AXWLTOBXJTWAHA-CVEARBPZSA-N 2 1 336.907 3.961 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321389 1127537364 /nfs/dbraw/zinc/53/73/64/1127537364.db2.gz BCMWAPAPKVUABM-IEBWSBKVSA-N 2 1 327.447 3.784 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321389 1127537368 /nfs/dbraw/zinc/53/73/68/1127537368.db2.gz BCMWAPAPKVUABM-IEBWSBKVSA-N 2 1 327.447 3.784 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292540 1127595195 /nfs/dbraw/zinc/59/51/95/1127595195.db2.gz WAMGDFWLHIMGCH-FUHWJXTLSA-N 2 1 326.488 3.563 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)C1 ZINC000765292540 1127595199 /nfs/dbraw/zinc/59/51/99/1127595199.db2.gz WAMGDFWLHIMGCH-FUHWJXTLSA-N 2 1 326.488 3.563 20 0 EHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)C2)c1 ZINC000921630607 1127900864 /nfs/dbraw/zinc/90/08/64/1127900864.db2.gz SUEIQQARDHVICU-FCGDIQPGSA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)C2)c1 ZINC000921630607 1127900866 /nfs/dbraw/zinc/90/08/66/1127900866.db2.gz SUEIQQARDHVICU-FCGDIQPGSA-N 2 1 348.556 3.755 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000347564792 1128094103 /nfs/dbraw/zinc/09/41/03/1128094103.db2.gz WNPZNUKKVIYZKC-INIZCTEOSA-N 2 1 349.478 3.917 20 0 EHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000060368540 1128098919 /nfs/dbraw/zinc/09/89/19/1128098919.db2.gz WFXXRBWEUHKMRB-KBPBESRZSA-N 2 1 342.936 3.723 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741390 1128178059 /nfs/dbraw/zinc/17/80/59/1128178059.db2.gz IHRUFEBHIFXSQD-QLFBSQMISA-N 2 1 331.460 3.552 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741390 1128178060 /nfs/dbraw/zinc/17/80/60/1128178060.db2.gz IHRUFEBHIFXSQD-QLFBSQMISA-N 2 1 331.460 3.552 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655834942 1128491849 /nfs/dbraw/zinc/49/18/49/1128491849.db2.gz HSQFJGMLJMTLMO-MVWVFHAYSA-N 2 1 335.495 3.798 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282287475 1128504106 /nfs/dbraw/zinc/50/41/06/1128504106.db2.gz RYJGLPIYQMBSIN-OAQYLSRUSA-N 2 1 342.527 3.632 20 0 EHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000056524750 1128562640 /nfs/dbraw/zinc/56/26/40/1128562640.db2.gz ZOURVSNGWZCJEC-UHFFFAOYSA-N 2 1 345.531 3.586 20 0 EHADMP CC(C)C1CCC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC001648799800 1120040432 /nfs/dbraw/zinc/04/04/32/1120040432.db2.gz RLRSOEOFQHKCKC-UHFFFAOYSA-N 2 1 343.559 3.738 20 0 EHADMP CSc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441451110 1120273596 /nfs/dbraw/zinc/27/35/96/1120273596.db2.gz MOAWULIVYVIKLR-KRWDZBQOSA-N 2 1 334.529 3.595 20 0 EHADMP CSc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441451110 1120273602 /nfs/dbraw/zinc/27/36/02/1120273602.db2.gz MOAWULIVYVIKLR-KRWDZBQOSA-N 2 1 334.529 3.595 20 0 EHADMP Brc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000184676507 1120383432 /nfs/dbraw/zinc/38/34/32/1120383432.db2.gz ABKQAAGRGSDJTP-GDBMZVCRSA-N 2 1 348.288 3.647 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386552 1120671311 /nfs/dbraw/zinc/67/13/11/1120671311.db2.gz VITBRIAYLGBSCV-SJLPKXTDSA-N 2 1 334.552 3.965 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386552 1120671312 /nfs/dbraw/zinc/67/13/12/1120671312.db2.gz VITBRIAYLGBSCV-SJLPKXTDSA-N 2 1 334.552 3.965 20 0 EHADMP c1cc(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000193257713 1120767687 /nfs/dbraw/zinc/76/76/87/1120767687.db2.gz YSQGHUJJTJKZAO-TZIWHRDSSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000193257713 1120767691 /nfs/dbraw/zinc/76/76/91/1120767691.db2.gz YSQGHUJJTJKZAO-TZIWHRDSSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000193257713 1120767694 /nfs/dbraw/zinc/76/76/94/1120767694.db2.gz YSQGHUJJTJKZAO-TZIWHRDSSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000193257713 1120767696 /nfs/dbraw/zinc/76/76/96/1120767696.db2.gz YSQGHUJJTJKZAO-TZIWHRDSSA-N 2 1 340.511 3.503 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193971744 1120812825 /nfs/dbraw/zinc/81/28/25/1120812825.db2.gz WOEQRAVMKIXRQI-NJDAHSKKSA-N 2 1 342.527 3.964 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCSC2)CC3)cc1 ZINC000494996294 1120928204 /nfs/dbraw/zinc/92/82/04/1120928204.db2.gz NCMZUKSWGQQLCW-LJQANCHMSA-N 2 1 330.541 3.728 20 0 EHADMP COC1CC[NH+](C2(C[NH2+]C(C3CCC3)C3CCC3)CCCC2)CC1 ZINC000338778799 1128962014 /nfs/dbraw/zinc/96/20/14/1128962014.db2.gz RDDULZHNIATXOC-UHFFFAOYSA-N 2 1 334.548 3.968 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1C1CC1 ZINC000338778916 1128963844 /nfs/dbraw/zinc/96/38/44/1128963844.db2.gz FSHMBKAJEJBNCZ-ZBFHGGJFSA-N 2 1 326.488 3.506 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 ZINC000655785835 1121163513 /nfs/dbraw/zinc/16/35/13/1121163513.db2.gz MPSFKUWTGKIJMO-SFTDATJTSA-N 2 1 328.500 3.588 20 0 EHADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000236997008 1121470203 /nfs/dbraw/zinc/47/02/03/1121470203.db2.gz ZIKMBDTZDSWKOM-SFTDATJTSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000397319166 1121706047 /nfs/dbraw/zinc/70/60/47/1121706047.db2.gz MLKQTZNRSMXYRP-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000397319166 1121706056 /nfs/dbraw/zinc/70/60/56/1121706056.db2.gz MLKQTZNRSMXYRP-VNHYZAJKSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008083 1121959867 /nfs/dbraw/zinc/95/98/67/1121959867.db2.gz AEZUXRJBCLSBDI-NJNPRVFISA-N 2 1 338.495 3.823 20 0 EHADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008083 1121959872 /nfs/dbraw/zinc/95/98/72/1121959872.db2.gz AEZUXRJBCLSBDI-NJNPRVFISA-N 2 1 338.495 3.823 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123310516 1122011269 /nfs/dbraw/zinc/01/12/69/1122011269.db2.gz RLKQKXHUGCYWBS-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123310516 1122011274 /nfs/dbraw/zinc/01/12/74/1122011274.db2.gz RLKQKXHUGCYWBS-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310516 1122011276 /nfs/dbraw/zinc/01/12/76/1122011276.db2.gz RLKQKXHUGCYWBS-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123310516 1122011282 /nfs/dbraw/zinc/01/12/82/1122011282.db2.gz RLKQKXHUGCYWBS-OCCSQVGLSA-N 2 1 331.287 3.787 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000037149909 1122144261 /nfs/dbraw/zinc/14/42/61/1122144261.db2.gz RXVVPTPHWFJBDJ-UHFFFAOYSA-N 2 1 325.294 3.803 20 0 EHADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000496968466 1122222082 /nfs/dbraw/zinc/22/20/82/1122222082.db2.gz MRVUYBIPROJLCM-QGZVFWFLSA-N 2 1 345.487 3.512 20 0 EHADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000496968466 1122222087 /nfs/dbraw/zinc/22/20/87/1122222087.db2.gz MRVUYBIPROJLCM-QGZVFWFLSA-N 2 1 345.487 3.512 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(Br)cc1F)C[NH+]1CCCCC1 ZINC000037997539 1122247353 /nfs/dbraw/zinc/24/73/53/1122247353.db2.gz DKRYOYFUPOUUGQ-ZDUSSCGKSA-N 2 1 343.284 3.800 20 0 EHADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)c2cccc(Br)c2)CC1 ZINC000125277761 1122311153 /nfs/dbraw/zinc/31/11/53/1122311153.db2.gz WPEYIOMGSRNXKH-AWEZNQCLSA-N 2 1 339.321 3.969 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)c2cccc(Br)c2)CC1 ZINC000125277761 1122311162 /nfs/dbraw/zinc/31/11/62/1122311162.db2.gz WPEYIOMGSRNXKH-AWEZNQCLSA-N 2 1 339.321 3.969 20 0 EHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000125277559 1122311411 /nfs/dbraw/zinc/31/14/11/1122311411.db2.gz WPEYIOMGSRNXKH-CQSZACIVSA-N 2 1 339.321 3.969 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000125277559 1122311421 /nfs/dbraw/zinc/31/14/21/1122311421.db2.gz WPEYIOMGSRNXKH-CQSZACIVSA-N 2 1 339.321 3.969 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)cc2c1 ZINC000127768119 1122507047 /nfs/dbraw/zinc/50/70/47/1122507047.db2.gz CXXACADGGULJDL-MRXNPFEDSA-N 2 1 330.472 3.899 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)cc2c1 ZINC000127768119 1122507052 /nfs/dbraw/zinc/50/70/52/1122507052.db2.gz CXXACADGGULJDL-MRXNPFEDSA-N 2 1 330.472 3.899 20 0 EHADMP CCCOc1cccc2c(N3CC[C@@H](C[N@@H+](C)CC)C3)ccnc12 ZINC000497522222 1122577232 /nfs/dbraw/zinc/57/72/32/1122577232.db2.gz UJQCNSSQPFIMNH-INIZCTEOSA-N 2 1 327.472 3.802 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000556052645 1122794431 /nfs/dbraw/zinc/79/44/31/1122794431.db2.gz JTOVSGUIAFMKPP-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556052645 1122794435 /nfs/dbraw/zinc/79/44/35/1122794435.db2.gz JTOVSGUIAFMKPP-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556052645 1122794438 /nfs/dbraw/zinc/79/44/38/1122794438.db2.gz JTOVSGUIAFMKPP-HMXCVIKNSA-N 2 1 329.532 3.676 20 0 EHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000556106609 1122817229 /nfs/dbraw/zinc/81/72/29/1122817229.db2.gz NORKUCVZVWNZAG-IFMALSPDSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000556106609 1122817237 /nfs/dbraw/zinc/81/72/37/1122817237.db2.gz NORKUCVZVWNZAG-IFMALSPDSA-N 2 1 343.559 3.846 20 0 EHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000556106609 1122817241 /nfs/dbraw/zinc/81/72/41/1122817241.db2.gz NORKUCVZVWNZAG-IFMALSPDSA-N 2 1 343.559 3.846 20 0 EHADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(C)cc3C)CCCC2)CC1 ZINC000556252750 1122904690 /nfs/dbraw/zinc/90/46/90/1122904690.db2.gz NIZCZQBUWHXUNS-UHFFFAOYSA-N 2 1 344.543 3.816 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)cc1Br ZINC001236212859 1123090681 /nfs/dbraw/zinc/09/06/81/1123090681.db2.gz AEHXOVNCYSQHLG-HOTGVXAUSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)cc1Br ZINC001236212859 1123090687 /nfs/dbraw/zinc/09/06/87/1123090687.db2.gz AEHXOVNCYSQHLG-HOTGVXAUSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499164562 1123258098 /nfs/dbraw/zinc/25/80/98/1123258098.db2.gz PBSSLLSDINNTIO-NNZMDNLPSA-N 2 1 327.497 3.737 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499164562 1123258102 /nfs/dbraw/zinc/25/81/02/1123258102.db2.gz PBSSLLSDINNTIO-NNZMDNLPSA-N 2 1 327.497 3.737 20 0 EHADMP CCC[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499177063 1123258704 /nfs/dbraw/zinc/25/87/04/1123258704.db2.gz OORRWAMVSFJLRL-KOUNCHBCSA-N 2 1 341.543 3.646 20 0 EHADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000134563528 1123532691 /nfs/dbraw/zinc/53/26/91/1123532691.db2.gz XPRKLBHFRGORQU-JXFKEZNVSA-N 2 1 329.488 3.532 20 0 EHADMP CSc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927250 1123565817 /nfs/dbraw/zinc/56/58/17/1123565817.db2.gz FGPFAARRTFSYAL-OXQOHEQNSA-N 2 1 346.540 3.736 20 0 EHADMP CSc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134927250 1123565819 /nfs/dbraw/zinc/56/58/19/1123565819.db2.gz FGPFAARRTFSYAL-OXQOHEQNSA-N 2 1 346.540 3.736 20 0 EHADMP CSc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134927250 1123565822 /nfs/dbraw/zinc/56/58/22/1123565822.db2.gz FGPFAARRTFSYAL-OXQOHEQNSA-N 2 1 346.540 3.736 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000081095713 1123775353 /nfs/dbraw/zinc/77/53/53/1123775353.db2.gz GVJKXLWKTNLZKV-CZUORRHYSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000081095713 1123775355 /nfs/dbraw/zinc/77/53/55/1123775355.db2.gz GVJKXLWKTNLZKV-CZUORRHYSA-N 2 1 325.294 3.611 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000081095713 1123775357 /nfs/dbraw/zinc/77/53/57/1123775357.db2.gz GVJKXLWKTNLZKV-CZUORRHYSA-N 2 1 325.294 3.611 20 0 EHADMP CC1CC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245653610 1123910980 /nfs/dbraw/zinc/91/09/80/1123910980.db2.gz DCWLUCJJNFFPID-DKUWSORSSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000245826360 1123956454 /nfs/dbraw/zinc/95/64/54/1123956454.db2.gz AZPMWGDJPIPUFQ-AFYVEPGGSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245903972 1123975270 /nfs/dbraw/zinc/97/52/70/1123975270.db2.gz OGIHFVWPGKEXDY-AQNXPRMDSA-N 2 1 330.516 3.820 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@@H+]1C ZINC000172851163 1129167407 /nfs/dbraw/zinc/16/74/07/1129167407.db2.gz ZDRXHFUBNMARQB-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000172851163 1129167409 /nfs/dbraw/zinc/16/74/09/1129167409.db2.gz ZDRXHFUBNMARQB-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851163 1129167410 /nfs/dbraw/zinc/16/74/10/1129167410.db2.gz ZDRXHFUBNMARQB-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC[NH+]1C ZINC000172851163 1129167411 /nfs/dbraw/zinc/16/74/11/1129167411.db2.gz ZDRXHFUBNMARQB-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246932006 1124568609 /nfs/dbraw/zinc/56/86/09/1124568609.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246932006 1124568624 /nfs/dbraw/zinc/56/86/24/1124568624.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246932006 1124568631 /nfs/dbraw/zinc/56/86/31/1124568631.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246932006 1124568638 /nfs/dbraw/zinc/56/86/38/1124568638.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246932006 1124568643 /nfs/dbraw/zinc/56/86/43/1124568643.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246932006 1124568648 /nfs/dbraw/zinc/56/86/48/1124568648.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246932006 1124568654 /nfs/dbraw/zinc/56/86/54/1124568654.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246932006 1124568660 /nfs/dbraw/zinc/56/86/60/1124568660.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246932006 1124568663 /nfs/dbraw/zinc/56/86/63/1124568663.db2.gz HEJPDFKAFRXIES-MOXWOTFGSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1CCOC1 ZINC000246948071 1124570534 /nfs/dbraw/zinc/57/05/34/1124570534.db2.gz HZJFCFJLPISCJC-IIMDRIAPSA-N 2 1 330.516 3.679 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)[C@@H](C)C1 ZINC000247040948 1124581198 /nfs/dbraw/zinc/58/11/98/1124581198.db2.gz OEOLFVGDPOVHIR-RYGJVYDSSA-N 2 1 334.479 3.540 20 0 EHADMP Fc1ccc(SCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247049337 1124582323 /nfs/dbraw/zinc/58/23/23/1124582323.db2.gz ZFUIDVWPFSLXEC-HNAYVOBHSA-N 2 1 334.504 3.867 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520552087 1124653829 /nfs/dbraw/zinc/65/38/29/1124653829.db2.gz SHMLQMZNHKQJNI-HLAWJBBLSA-N 2 1 329.532 3.532 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000249204326 1124745951 /nfs/dbraw/zinc/74/59/51/1124745951.db2.gz ARSCURBIIHEWPM-DYVFJYSZSA-N 2 1 337.305 3.758 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(CC)CC ZINC000181540442 1124920604 /nfs/dbraw/zinc/92/06/04/1124920604.db2.gz ZWXIYLHCKHSECB-QZTJIDSGSA-N 2 1 342.487 3.649 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000092067014 1125023284 /nfs/dbraw/zinc/02/32/84/1125023284.db2.gz VZRQOZQAGSUZJQ-QRWLVFNGSA-N 2 1 340.467 3.890 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000092067014 1125023292 /nfs/dbraw/zinc/02/32/92/1125023292.db2.gz VZRQOZQAGSUZJQ-QRWLVFNGSA-N 2 1 340.467 3.890 20 0 EHADMP COc1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000092067014 1125023299 /nfs/dbraw/zinc/02/32/99/1125023299.db2.gz VZRQOZQAGSUZJQ-QRWLVFNGSA-N 2 1 340.467 3.890 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649551525 1125106407 /nfs/dbraw/zinc/10/64/07/1125106407.db2.gz BZPZMTLUUDFJLH-GOSISDBHSA-N 2 1 344.547 3.696 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649551525 1125106410 /nfs/dbraw/zinc/10/64/10/1125106410.db2.gz BZPZMTLUUDFJLH-GOSISDBHSA-N 2 1 344.547 3.696 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1 ZINC000092821544 1125163802 /nfs/dbraw/zinc/16/38/02/1125163802.db2.gz UNUKODOJXDERHS-UHFFFAOYSA-N 2 1 327.447 3.959 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000182491772 1125318079 /nfs/dbraw/zinc/31/80/79/1125318079.db2.gz MABCALKLQRNFKE-ROUUACIJSA-N 3 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CC[N@H+](CC)C2)ccc1OC ZINC000182491772 1125318084 /nfs/dbraw/zinc/31/80/84/1125318084.db2.gz MABCALKLQRNFKE-ROUUACIJSA-N 2 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000182491772 1125318091 /nfs/dbraw/zinc/31/80/91/1125318091.db2.gz MABCALKLQRNFKE-ROUUACIJSA-N 2 1 347.547 3.529 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)CC2 ZINC000479334890 1129354742 /nfs/dbraw/zinc/35/47/42/1129354742.db2.gz JYUMSRAHSCSZRX-IBGZPJMESA-N 2 1 346.515 3.935 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)CC2 ZINC000479334890 1129354745 /nfs/dbraw/zinc/35/47/45/1129354745.db2.gz JYUMSRAHSCSZRX-IBGZPJMESA-N 2 1 346.515 3.935 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000481399154 1129525023 /nfs/dbraw/zinc/52/50/23/1129525023.db2.gz FOJUFEHGYOMALB-JOCHJYFZSA-N 2 1 344.543 3.878 20 0 EHADMP CCO[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402073 1129857623 /nfs/dbraw/zinc/85/76/23/1129857623.db2.gz CKRZOQRUYGASDB-VQIMIIECSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402073 1129857629 /nfs/dbraw/zinc/85/76/29/1129857629.db2.gz CKRZOQRUYGASDB-VQIMIIECSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000625402073 1129857634 /nfs/dbraw/zinc/85/76/34/1129857634.db2.gz CKRZOQRUYGASDB-VQIMIIECSA-N 2 1 336.545 3.625 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000658004561 1130017079 /nfs/dbraw/zinc/01/70/79/1130017079.db2.gz QPWGNGUJLJURDZ-MOPGFXCFSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000658004561 1130017088 /nfs/dbraw/zinc/01/70/88/1130017088.db2.gz QPWGNGUJLJURDZ-MOPGFXCFSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000675739289 1130461046 /nfs/dbraw/zinc/46/10/46/1130461046.db2.gz XCMKWAAHTFIPKO-LBELIVKGSA-N 2 1 346.359 3.968 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000675739289 1130461051 /nfs/dbraw/zinc/46/10/51/1130461051.db2.gz XCMKWAAHTFIPKO-LBELIVKGSA-N 2 1 346.359 3.968 20 0 EHADMP Cc1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000675749711 1130469793 /nfs/dbraw/zinc/46/97/93/1130469793.db2.gz XVDQJWDCUIWORX-AEFFLSMTSA-N 2 1 329.513 3.637 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(Cl)c1 ZINC000675880818 1130499875 /nfs/dbraw/zinc/49/98/75/1130499875.db2.gz HHEDEMCMOCELTE-BBRMVZONSA-N 2 1 340.870 3.773 20 0 EHADMP CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880617 1130500322 /nfs/dbraw/zinc/50/03/22/1130500322.db2.gz GMWBNTCHEMPKDS-RTWAWAEBSA-N 2 1 330.516 3.631 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733842499 1131084191 /nfs/dbraw/zinc/08/41/91/1131084191.db2.gz XLHQTRCEFKHDBB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733842499 1131084196 /nfs/dbraw/zinc/08/41/96/1131084196.db2.gz XLHQTRCEFKHDBB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733842499 1131084203 /nfs/dbraw/zinc/08/42/03/1131084203.db2.gz XLHQTRCEFKHDBB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733842499 1131084208 /nfs/dbraw/zinc/08/42/08/1131084208.db2.gz XLHQTRCEFKHDBB-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886034 1131554347 /nfs/dbraw/zinc/55/43/47/1131554347.db2.gz AXMFOHGFPOVGFZ-COXVUDFISA-N 2 1 344.421 3.543 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886034 1131554351 /nfs/dbraw/zinc/55/43/51/1131554351.db2.gz AXMFOHGFPOVGFZ-COXVUDFISA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886034 1131554355 /nfs/dbraw/zinc/55/43/55/1131554355.db2.gz AXMFOHGFPOVGFZ-COXVUDFISA-N 2 1 344.421 3.543 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000740886034 1131554358 /nfs/dbraw/zinc/55/43/58/1131554358.db2.gz AXMFOHGFPOVGFZ-COXVUDFISA-N 2 1 344.421 3.543 20 0 EHADMP CC(C)COCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172477315 1131737209 /nfs/dbraw/zinc/73/72/09/1131737209.db2.gz WRNZQMHMUFPOAA-CTNGQTDRSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172477315 1131737212 /nfs/dbraw/zinc/73/72/12/1131737212.db2.gz WRNZQMHMUFPOAA-CTNGQTDRSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)COCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172477315 1131737217 /nfs/dbraw/zinc/73/72/17/1131737217.db2.gz WRNZQMHMUFPOAA-CTNGQTDRSA-N 2 1 332.532 3.892 20 0 EHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172454267 1131748317 /nfs/dbraw/zinc/74/83/17/1131748317.db2.gz JMDAFBOXNQYHHJ-SESVDKBCSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172454267 1131748321 /nfs/dbraw/zinc/74/83/21/1131748321.db2.gz JMDAFBOXNQYHHJ-SESVDKBCSA-N 2 1 330.516 3.644 20 0 EHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172454267 1131748325 /nfs/dbraw/zinc/74/83/25/1131748325.db2.gz JMDAFBOXNQYHHJ-SESVDKBCSA-N 2 1 330.516 3.644 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)n1cc[nH+]c1CCC[NH3+] ZINC001172572061 1131777874 /nfs/dbraw/zinc/77/78/74/1131777874.db2.gz SIYNSBSAVIQNTQ-NSHDSACASA-N 2 1 327.806 3.900 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754282 1131836007 /nfs/dbraw/zinc/83/60/07/1131836007.db2.gz XNLGVWQLPRAJEN-MISYRCLQSA-N 2 1 346.515 3.879 20 0 EHADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(c3ccccc3F)CC1)CC2 ZINC001172828813 1131854826 /nfs/dbraw/zinc/85/48/26/1131854826.db2.gz QAMNCQIFRVYOGZ-IBGZPJMESA-N 2 1 338.470 3.941 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001173078007 1131958669 /nfs/dbraw/zinc/95/86/69/1131958669.db2.gz HVHARURMWUOFRJ-CYBMUJFWSA-N 2 1 342.405 3.733 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001173107037 1131967731 /nfs/dbraw/zinc/96/77/31/1131967731.db2.gz IQMNQBVBLAOITR-KBWCOIMZSA-N 3 1 335.580 3.884 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001173107037 1131967738 /nfs/dbraw/zinc/96/77/38/1131967738.db2.gz IQMNQBVBLAOITR-KBWCOIMZSA-N 3 1 335.580 3.884 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001173112369 1131970222 /nfs/dbraw/zinc/97/02/22/1131970222.db2.gz WLSKBBBHARZQDF-XVAXZDLZSA-N 2 1 330.516 3.931 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173112226 1131970325 /nfs/dbraw/zinc/97/03/25/1131970325.db2.gz SXVHDDHOYQLAFB-WWDZGPRUSA-N 2 1 338.536 3.693 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001173112208 1131970772 /nfs/dbraw/zinc/97/07/72/1131970772.db2.gz SSULZAFFVAHTMW-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173127306 1131975408 /nfs/dbraw/zinc/97/54/08/1131975408.db2.gz XXCYKHDKEZCLQW-DJIMGWMZSA-N 2 1 333.545 3.905 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CCO1 ZINC001173172512 1132000820 /nfs/dbraw/zinc/00/08/20/1132000820.db2.gz UTYAJWVENUSVLW-JENIJYKNSA-N 2 1 332.488 3.524 20 0 EHADMP CCSC[C@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001173302524 1132034230 /nfs/dbraw/zinc/03/42/30/1132034230.db2.gz ACPXRYYJMGCXHU-KRWDZBQOSA-N 2 1 347.572 3.900 20 0 EHADMP CC[N@@H+]1CC[C@H](N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)C1 ZINC001173352436 1132058324 /nfs/dbraw/zinc/05/83/24/1132058324.db2.gz MACRIZMAKYEHRT-ZDUSSCGKSA-N 2 1 326.469 3.639 20 0 EHADMP CC[N@H+]1CC[C@H](N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)C1 ZINC001173352436 1132058330 /nfs/dbraw/zinc/05/83/30/1132058330.db2.gz MACRIZMAKYEHRT-ZDUSSCGKSA-N 2 1 326.469 3.639 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000744404612 1132089581 /nfs/dbraw/zinc/08/95/81/1132089581.db2.gz ULUZWHWQMYULSE-TZIWHRDSSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@H+]1Cc1ccccc1 ZINC000744404612 1132089590 /nfs/dbraw/zinc/08/95/90/1132089590.db2.gz ULUZWHWQMYULSE-TZIWHRDSSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404612 1132089598 /nfs/dbraw/zinc/08/95/98/1132089598.db2.gz ULUZWHWQMYULSE-TZIWHRDSSA-N 2 1 332.532 3.914 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCCCO)CC[NH+]1Cc1ccccc1 ZINC000744404612 1132089607 /nfs/dbraw/zinc/08/96/07/1132089607.db2.gz ULUZWHWQMYULSE-TZIWHRDSSA-N 2 1 332.532 3.914 20 0 EHADMP C[N@H+](CCCC1CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014489 1132530058 /nfs/dbraw/zinc/53/00/58/1132530058.db2.gz FIQWOKVHZZCLST-QFIPXVFZSA-N 2 1 344.543 3.916 20 0 EHADMP C[N@@H+](CCCC1CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014489 1132530066 /nfs/dbraw/zinc/53/00/66/1132530066.db2.gz FIQWOKVHZZCLST-QFIPXVFZSA-N 2 1 344.543 3.916 20 0 EHADMP C[NH+](CCCC1CCCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001175014489 1132530073 /nfs/dbraw/zinc/53/00/73/1132530073.db2.gz FIQWOKVHZZCLST-QFIPXVFZSA-N 2 1 344.543 3.916 20 0 EHADMP C[NH+](CCCC1CCCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001175014489 1132530081 /nfs/dbraw/zinc/53/00/81/1132530081.db2.gz FIQWOKVHZZCLST-QFIPXVFZSA-N 2 1 344.543 3.916 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3Cl)CCOCC1)C2 ZINC001169117098 1132661590 /nfs/dbraw/zinc/66/15/90/1132661590.db2.gz VRSVYOIBIVTJIO-BJWYYQGGSA-N 2 1 348.918 3.603 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119914 1132663522 /nfs/dbraw/zinc/66/35/22/1132663522.db2.gz YKRCXBANGJAMIU-WOZUAGRISA-N 2 1 328.500 3.759 20 0 EHADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115620 1132672491 /nfs/dbraw/zinc/67/24/91/1132672491.db2.gz LRILHAFXABFHBQ-CCQCEHTISA-N 2 1 345.506 3.523 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115620 1132672495 /nfs/dbraw/zinc/67/24/95/1132672495.db2.gz LRILHAFXABFHBQ-CCQCEHTISA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115620 1132672498 /nfs/dbraw/zinc/67/24/98/1132672498.db2.gz LRILHAFXABFHBQ-CCQCEHTISA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115620 1132672506 /nfs/dbraw/zinc/67/25/06/1132672506.db2.gz LRILHAFXABFHBQ-CCQCEHTISA-N 3 1 345.506 3.523 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169115620 1132672511 /nfs/dbraw/zinc/67/25/11/1132672511.db2.gz LRILHAFXABFHBQ-CCQCEHTISA-N 3 1 345.506 3.523 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169114068 1132673196 /nfs/dbraw/zinc/67/31/96/1132673196.db2.gz WBVKDKFQCBBTND-ACDBMABISA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141390 1132674282 /nfs/dbraw/zinc/67/42/82/1132674282.db2.gz QHPHUKNPZPXMNB-FUMNGEBKSA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141390 1132674285 /nfs/dbraw/zinc/67/42/85/1132674285.db2.gz QHPHUKNPZPXMNB-FUMNGEBKSA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141390 1132674288 /nfs/dbraw/zinc/67/42/88/1132674288.db2.gz QHPHUKNPZPXMNB-FUMNGEBKSA-N 2 1 348.918 3.946 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000103143059 1132706571 /nfs/dbraw/zinc/70/65/71/1132706571.db2.gz QODKNUDGQSGFOF-JOCHJYFZSA-N 2 1 338.495 3.564 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CCC[C@H]1C[NH3+] ZINC001206011908 1132758062 /nfs/dbraw/zinc/75/80/62/1132758062.db2.gz GZVJYGXSPKDNBY-WMZOPIPTSA-N 2 1 331.504 3.600 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629170 1132973868 /nfs/dbraw/zinc/97/38/68/1132973868.db2.gz FZPBFLWPTZQDDX-XPKDYRNWSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629170 1132973870 /nfs/dbraw/zinc/97/38/70/1132973870.db2.gz FZPBFLWPTZQDDX-XPKDYRNWSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176629170 1132973872 /nfs/dbraw/zinc/97/38/72/1132973872.db2.gz FZPBFLWPTZQDDX-XPKDYRNWSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176629170 1132973874 /nfs/dbraw/zinc/97/38/74/1132973874.db2.gz FZPBFLWPTZQDDX-XPKDYRNWSA-N 2 1 328.378 3.530 20 0 EHADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065641 1133026846 /nfs/dbraw/zinc/02/68/46/1133026846.db2.gz CMADHIHARVXODN-ICSRJNTNSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC001177065641 1133026852 /nfs/dbraw/zinc/02/68/52/1133026852.db2.gz CMADHIHARVXODN-ICSRJNTNSA-N 2 1 329.532 3.676 20 0 EHADMP Cc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC001177099338 1133031295 /nfs/dbraw/zinc/03/12/95/1133031295.db2.gz ZJGYJTRVCXCDRH-UHFFFAOYSA-N 2 1 329.875 3.798 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001177199021 1133037897 /nfs/dbraw/zinc/03/78/97/1133037897.db2.gz BZXOEMQULPHETH-NRFANRHFSA-N 2 1 343.559 3.750 20 0 EHADMP CC[N@H+]1CC[C@H](NCc2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC000767923283 1133068295 /nfs/dbraw/zinc/06/82/95/1133068295.db2.gz WVTWGSZHLZJGON-NHYWBVRUSA-N 2 1 345.712 3.922 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)CCCO2 ZINC000768102992 1133095451 /nfs/dbraw/zinc/09/54/51/1133095451.db2.gz VKJGWHXYJPDPRT-DNVCBOLYSA-N 2 1 327.472 3.894 20 0 EHADMP CCc1ncc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001177981260 1133125727 /nfs/dbraw/zinc/12/57/27/1133125727.db2.gz KDQMBZQQEHVERL-IGOJGBNBSA-N 2 1 343.540 3.952 20 0 EHADMP CCc1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001177981260 1133125729 /nfs/dbraw/zinc/12/57/29/1133125729.db2.gz KDQMBZQQEHVERL-IGOJGBNBSA-N 2 1 343.540 3.952 20 0 EHADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146588 1133231136 /nfs/dbraw/zinc/23/11/36/1133231136.db2.gz AIIHYLGHDYFQDF-CTNGQTDRSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179146588 1133231142 /nfs/dbraw/zinc/23/11/42/1133231142.db2.gz AIIHYLGHDYFQDF-CTNGQTDRSA-N 2 1 343.559 3.750 20 0 EHADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C ZINC001179338121 1133246503 /nfs/dbraw/zinc/24/65/03/1133246503.db2.gz CESBJQIGAWMRAU-RXVVDRJESA-N 2 1 338.495 3.861 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Br)c3)[C@H]2C1 ZINC001179818601 1133286929 /nfs/dbraw/zinc/28/69/29/1133286929.db2.gz ZCURULPCVWSBKQ-CQDKDKBSSA-N 2 1 343.696 3.532 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(CC2CCC2)c1 ZINC001179926278 1133299745 /nfs/dbraw/zinc/29/97/45/1133299745.db2.gz WQNXXXZQBJVZFM-FSSWDIPSSA-N 2 1 342.527 3.713 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507599 1133305034 /nfs/dbraw/zinc/30/50/34/1133305034.db2.gz MQOWLHIHZYCAAV-INIZCTEOSA-N 2 1 346.544 3.780 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507599 1133305037 /nfs/dbraw/zinc/30/50/37/1133305037.db2.gz MQOWLHIHZYCAAV-INIZCTEOSA-N 2 1 346.544 3.780 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507599 1133305041 /nfs/dbraw/zinc/30/50/41/1133305041.db2.gz MQOWLHIHZYCAAV-INIZCTEOSA-N 2 1 346.544 3.780 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769507599 1133305048 /nfs/dbraw/zinc/30/50/48/1133305048.db2.gz MQOWLHIHZYCAAV-INIZCTEOSA-N 2 1 346.544 3.780 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000769869160 1133356155 /nfs/dbraw/zinc/35/61/55/1133356155.db2.gz CEJGBHGHUUDJMW-LPHOPBHVSA-N 2 1 341.499 3.761 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000769869160 1133356158 /nfs/dbraw/zinc/35/61/58/1133356158.db2.gz CEJGBHGHUUDJMW-LPHOPBHVSA-N 2 1 341.499 3.761 20 0 EHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001204269176 1133372568 /nfs/dbraw/zinc/37/25/68/1133372568.db2.gz VNFJNHUXGTZTQW-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCCC[C@H]1C ZINC001180810372 1133418719 /nfs/dbraw/zinc/41/87/19/1133418719.db2.gz LOQKBHROPLJTLU-DGQTTZFYSA-N 2 1 330.516 3.558 20 0 EHADMP CC(C)O[C@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001181515021 1133496812 /nfs/dbraw/zinc/49/68/12/1133496812.db2.gz PJVQNGPVNIUNRV-NHCUHLMSSA-N 2 1 330.516 3.816 20 0 EHADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC001181717087 1133515346 /nfs/dbraw/zinc/51/53/46/1133515346.db2.gz AGEPDVVSYRAILY-JOCHJYFZSA-N 2 1 338.495 3.564 20 0 EHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001182152213 1133579297 /nfs/dbraw/zinc/57/92/97/1133579297.db2.gz LDTLJYDZIHCQRU-CQSZACIVSA-N 2 1 332.410 3.838 20 0 EHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001182152213 1133579301 /nfs/dbraw/zinc/57/93/01/1133579301.db2.gz LDTLJYDZIHCQRU-CQSZACIVSA-N 2 1 332.410 3.838 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000774411606 1133673913 /nfs/dbraw/zinc/67/39/13/1133673913.db2.gz KYAMXAUQHWJHKQ-UXHICEINSA-N 2 1 332.463 3.510 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000785503335 1133715537 /nfs/dbraw/zinc/71/55/37/1133715537.db2.gz MAUYLUZODFGZBW-APWZRJJASA-N 2 1 341.474 3.919 20 0 EHADMP CC(C)CCC[C@@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001170061496 1133882247 /nfs/dbraw/zinc/88/22/47/1133882247.db2.gz RZGDPAPMVNTWDE-MDCZIUGASA-N 2 1 326.525 3.773 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)c(OC)c1 ZINC001184314196 1133920647 /nfs/dbraw/zinc/92/06/47/1133920647.db2.gz IEFVXTAEQCYXKY-MRXNPFEDSA-N 2 1 334.504 3.865 20 0 EHADMP CC(C)CCC[C@H](C)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001170079910 1134056834 /nfs/dbraw/zinc/05/68/34/1134056834.db2.gz GJKQBAAFSKYLCH-SFHVURJKSA-N 2 1 332.536 3.552 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774960521 1134158143 /nfs/dbraw/zinc/15/81/43/1134158143.db2.gz AZATWGSTRJQPKF-ZDUSSCGKSA-N 2 1 336.277 3.688 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000775391313 1134709568 /nfs/dbraw/zinc/70/95/68/1134709568.db2.gz CWJSORPVROFDML-UWVAXJGDSA-N 3 1 347.547 3.670 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000775391313 1134709571 /nfs/dbraw/zinc/70/95/71/1134709571.db2.gz CWJSORPVROFDML-UWVAXJGDSA-N 3 1 347.547 3.670 20 0 EHADMP CO[C@H]1CCC[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000792874531 1134808670 /nfs/dbraw/zinc/80/86/70/1134808670.db2.gz UQDFBHNTSWFWQG-CTNGQTDRSA-N 2 1 345.531 3.834 20 0 EHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Br ZINC001205579582 1134966922 /nfs/dbraw/zinc/96/69/22/1134966922.db2.gz OBDRLOAQYZHROB-OAHLLOKOSA-N 2 1 347.247 3.550 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1)CC(C)C ZINC001192489646 1135028738 /nfs/dbraw/zinc/02/87/38/1135028738.db2.gz HRBYPOVERDCZHT-LJQANCHMSA-N 2 1 340.552 3.608 20 0 EHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205626527 1135120100 /nfs/dbraw/zinc/12/01/00/1135120100.db2.gz GXFPHJYMZUZGGT-YPMHNXCESA-N 2 1 345.712 3.909 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205626547 1135121137 /nfs/dbraw/zinc/12/11/37/1135121137.db2.gz HBVWJMFIOHYBAT-ZIAGYGMSSA-N 2 1 325.294 3.564 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2cccc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205637938 1135157801 /nfs/dbraw/zinc/15/78/01/1135157801.db2.gz JYEXDDDDNCIECS-NWDGAFQWSA-N 2 1 345.712 3.909 20 0 EHADMP Cc1c(C)c(C)c(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c(C)c1C ZINC001194975305 1135349768 /nfs/dbraw/zinc/34/97/68/1135349768.db2.gz UAACVGRPOKBUFI-UHFFFAOYSA-N 2 1 344.543 3.555 20 0 EHADMP CC(C)Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000806182345 1135407637 /nfs/dbraw/zinc/40/76/37/1135407637.db2.gz TYNJIYHCVIZKKL-KBRMVUAJSA-N 2 1 343.559 3.703 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000806182345 1135407640 /nfs/dbraw/zinc/40/76/40/1135407640.db2.gz TYNJIYHCVIZKKL-KBRMVUAJSA-N 2 1 343.559 3.703 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000806182345 1135407643 /nfs/dbraw/zinc/40/76/43/1135407643.db2.gz TYNJIYHCVIZKKL-KBRMVUAJSA-N 2 1 343.559 3.703 20 0 EHADMP CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001196367626 1135551364 /nfs/dbraw/zinc/55/13/64/1135551364.db2.gz NRAOMOYCLZYZDI-FQEVSTJZSA-N 2 1 330.516 3.655 20 0 EHADMP O[C@H](c1ccccc1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000808787908 1135737929 /nfs/dbraw/zinc/73/79/29/1135737929.db2.gz DPMLFWHCENPCTC-FCHUYYIVSA-N 2 1 338.495 3.927 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000809738616 1135882826 /nfs/dbraw/zinc/88/28/26/1135882826.db2.gz BSCOGTAXKNYBGX-SFHVURJKSA-N 2 1 345.512 3.688 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000809738616 1135882830 /nfs/dbraw/zinc/88/28/30/1135882830.db2.gz BSCOGTAXKNYBGX-SFHVURJKSA-N 2 1 345.512 3.688 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)CC1 ZINC000809755600 1135886606 /nfs/dbraw/zinc/88/66/06/1135886606.db2.gz MKLJJNGTRPGUMG-HXUWFJFHSA-N 2 1 341.543 3.841 20 0 EHADMP CCc1nc(C)c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001203246425 1135926928 /nfs/dbraw/zinc/92/69/28/1135926928.db2.gz GKXBCGCJBHKGMC-UHFFFAOYSA-N 2 1 340.515 3.625 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259064 1135943962 /nfs/dbraw/zinc/94/39/62/1135943962.db2.gz AJNMRGNONKGNPT-ICSRJNTNSA-N 2 1 340.515 3.681 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000810259064 1135943965 /nfs/dbraw/zinc/94/39/65/1135943965.db2.gz AJNMRGNONKGNPT-ICSRJNTNSA-N 2 1 340.515 3.681 20 0 EHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC001201953909 1136077974 /nfs/dbraw/zinc/07/79/74/1136077974.db2.gz BXSRFJJIGJOFOK-UDJZJCJKSA-N 2 1 342.527 3.702 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000776257342 1136113770 /nfs/dbraw/zinc/11/37/70/1136113770.db2.gz KLTRCEFEMQIWCR-UHFFFAOYSA-N 2 1 340.442 3.756 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001170676767 1136201016 /nfs/dbraw/zinc/20/10/16/1136201016.db2.gz HVZJSMKJMUEAJP-MSOLQXFVSA-N 2 1 334.454 3.676 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001170676767 1136201018 /nfs/dbraw/zinc/20/10/18/1136201018.db2.gz HVZJSMKJMUEAJP-MSOLQXFVSA-N 2 1 334.454 3.676 20 0 EHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000813881055 1136371952 /nfs/dbraw/zinc/37/19/52/1136371952.db2.gz LFQQQJIFRDFEAN-BRIRTLKKSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000813881055 1136371960 /nfs/dbraw/zinc/37/19/60/1136371960.db2.gz LFQQQJIFRDFEAN-BRIRTLKKSA-N 2 1 338.499 3.656 20 0 EHADMP COc1cccc(SCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000852007942 1136427010 /nfs/dbraw/zinc/42/70/10/1136427010.db2.gz RIEIYKPCMHQXAO-UHFFFAOYSA-N 2 1 334.529 3.595 20 0 EHADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2cnn(C)c2)c1 ZINC000338949645 1136472414 /nfs/dbraw/zinc/47/24/14/1136472414.db2.gz XDCZCIPGFBTWAK-HXUWFJFHSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2cnn(C)c2)c1 ZINC000338949645 1136472415 /nfs/dbraw/zinc/47/24/15/1136472415.db2.gz XDCZCIPGFBTWAK-HXUWFJFHSA-N 2 1 340.515 3.702 20 0 EHADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2cnn(C)c2)c1 ZINC000338949645 1136472418 /nfs/dbraw/zinc/47/24/18/1136472418.db2.gz XDCZCIPGFBTWAK-HXUWFJFHSA-N 2 1 340.515 3.702 20 0 EHADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000816619851 1136742603 /nfs/dbraw/zinc/74/26/03/1136742603.db2.gz XXZISSOPGDHSRI-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(C)(C)CC)C2)ccn1 ZINC000856583892 1136797458 /nfs/dbraw/zinc/79/74/58/1136797458.db2.gz SIXOAPZSHCVPQN-IBGZPJMESA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(C)(C)CC)C2)ccn1 ZINC000856583892 1136797461 /nfs/dbraw/zinc/79/74/61/1136797461.db2.gz SIXOAPZSHCVPQN-IBGZPJMESA-N 2 1 333.520 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(C)(C)CC)C2)ccn1 ZINC000856583892 1136797465 /nfs/dbraw/zinc/79/74/65/1136797465.db2.gz SIXOAPZSHCVPQN-IBGZPJMESA-N 2 1 333.520 3.813 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCCCF)C2)ccn1 ZINC000856603921 1136798369 /nfs/dbraw/zinc/79/83/69/1136798369.db2.gz HENLTMDNNUGERP-LJQANCHMSA-N 2 1 337.483 3.515 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCCCF)C2)ccn1 ZINC000856603921 1136798370 /nfs/dbraw/zinc/79/83/70/1136798370.db2.gz HENLTMDNNUGERP-LJQANCHMSA-N 2 1 337.483 3.515 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCCF)C2)ccn1 ZINC000856603921 1136798375 /nfs/dbraw/zinc/79/83/75/1136798375.db2.gz HENLTMDNNUGERP-LJQANCHMSA-N 2 1 337.483 3.515 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856765475 1136808144 /nfs/dbraw/zinc/80/81/44/1136808144.db2.gz DSHPNLFSGOALRE-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856765475 1136808147 /nfs/dbraw/zinc/80/81/47/1136808147.db2.gz DSHPNLFSGOALRE-OAHLLOKOSA-N 2 1 346.906 3.738 20 0 EHADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000817922864 1136846197 /nfs/dbraw/zinc/84/61/97/1136846197.db2.gz NKNDXZKCKFRHMX-INDMIFKZSA-N 2 1 330.520 3.742 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818988480 1136897223 /nfs/dbraw/zinc/89/72/23/1136897223.db2.gz QXMUPRCJQWOPQI-PXNSSMCTSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818988480 1136897224 /nfs/dbraw/zinc/89/72/24/1136897224.db2.gz QXMUPRCJQWOPQI-PXNSSMCTSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000819101663 1136908761 /nfs/dbraw/zinc/90/87/61/1136908761.db2.gz XBHNSHAGWQUCJN-YVWKXTFCSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000819101663 1136908765 /nfs/dbraw/zinc/90/87/65/1136908765.db2.gz XBHNSHAGWQUCJN-YVWKXTFCSA-N 2 1 344.524 3.763 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC000819125093 1136916843 /nfs/dbraw/zinc/91/68/43/1136916843.db2.gz DWAOQEKBTWXRSA-QGZVFWFLSA-N 2 1 346.437 3.837 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664621 1137068923 /nfs/dbraw/zinc/06/89/23/1137068923.db2.gz UXZHLQJJFGUSCJ-QEORTHHSSA-N 2 1 345.314 3.831 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664621 1137068924 /nfs/dbraw/zinc/06/89/24/1137068924.db2.gz UXZHLQJJFGUSCJ-QEORTHHSSA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664621 1137068925 /nfs/dbraw/zinc/06/89/25/1137068925.db2.gz UXZHLQJJFGUSCJ-QEORTHHSSA-N 2 1 345.314 3.831 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664621 1137068926 /nfs/dbraw/zinc/06/89/26/1137068926.db2.gz UXZHLQJJFGUSCJ-QEORTHHSSA-N 2 1 345.314 3.831 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037374 1137122506 /nfs/dbraw/zinc/12/25/06/1137122506.db2.gz LNQOOPBEALPNKM-DOTOQJQBSA-N 2 1 345.437 3.750 20 0 EHADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028884 1137176060 /nfs/dbraw/zinc/17/60/60/1137176060.db2.gz KDIWJOCEOKWCFX-OFNKIYASSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028884 1137176062 /nfs/dbraw/zinc/17/60/62/1137176062.db2.gz KDIWJOCEOKWCFX-OFNKIYASSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028884 1137176063 /nfs/dbraw/zinc/17/60/63/1137176063.db2.gz KDIWJOCEOKWCFX-OFNKIYASSA-N 2 1 348.490 3.671 20 0 EHADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137028884 1137176065 /nfs/dbraw/zinc/17/60/65/1137176065.db2.gz KDIWJOCEOKWCFX-OFNKIYASSA-N 2 1 348.490 3.671 20 0 EHADMP C[N@@H+](Cc1ccc2cc[nH]c2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001144186051 1137250802 /nfs/dbraw/zinc/25/08/02/1137250802.db2.gz OJKHPQQVQFSKHS-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[N@H+](Cc1ccc2cc[nH]c2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001144186051 1137250804 /nfs/dbraw/zinc/25/08/04/1137250804.db2.gz OJKHPQQVQFSKHS-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2cc[nH]c2n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144186051 1137250805 /nfs/dbraw/zinc/25/08/05/1137250805.db2.gz OJKHPQQVQFSKHS-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1ccc2cc[nH]c2n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144186051 1137250806 /nfs/dbraw/zinc/25/08/06/1137250806.db2.gz OJKHPQQVQFSKHS-SFHVURJKSA-N 2 1 334.467 3.517 20 0 EHADMP CCc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001144318929 1137273708 /nfs/dbraw/zinc/27/37/08/1137273708.db2.gz PGYIIAMXZQATIU-OAQYLSRUSA-N 2 1 330.516 3.572 20 0 EHADMP CCc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001144318929 1137273710 /nfs/dbraw/zinc/27/37/10/1137273710.db2.gz PGYIIAMXZQATIU-OAQYLSRUSA-N 2 1 330.516 3.572 20 0 EHADMP CCc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001144318929 1137273712 /nfs/dbraw/zinc/27/37/12/1137273712.db2.gz PGYIIAMXZQATIU-OAQYLSRUSA-N 2 1 330.516 3.572 20 0 EHADMP CCc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001144318929 1137273713 /nfs/dbraw/zinc/27/37/13/1137273713.db2.gz PGYIIAMXZQATIU-OAQYLSRUSA-N 2 1 330.516 3.572 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866260312 1137340195 /nfs/dbraw/zinc/34/01/95/1137340195.db2.gz UFOIJFWEVCHMNC-SJORKVTESA-N 2 1 336.483 3.987 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)cc1 ZINC000866426012 1137353790 /nfs/dbraw/zinc/35/37/90/1137353790.db2.gz QNGZIGXZBZKEMI-HZPDHXFCSA-N 2 1 343.471 3.621 20 0 EHADMP c1ccc(C[NH+]2CCC(CC[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000866468774 1137357361 /nfs/dbraw/zinc/35/73/61/1137357361.db2.gz CFMLMLKUHUFPJI-UHFFFAOYSA-N 3 1 341.543 3.505 20 0 EHADMP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000866606597 1137368621 /nfs/dbraw/zinc/36/86/21/1137368621.db2.gz CCYRDBVMPPYPME-MOPGFXCFSA-N 2 1 334.891 3.777 20 0 EHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(OC(F)(F)F)c1 ZINC000846846525 1137371716 /nfs/dbraw/zinc/37/17/16/1137371716.db2.gz HPDLJNSGXQOOHL-GFCCVEGCSA-N 2 1 327.350 3.602 20 0 EHADMP COc1ccc(-c2cnc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866705895 1137374804 /nfs/dbraw/zinc/37/48/04/1137374804.db2.gz JEZBGGIQHVZKRS-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccc(-c2cnc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)o2)cc1 ZINC000866705895 1137374806 /nfs/dbraw/zinc/37/48/06/1137374806.db2.gz JEZBGGIQHVZKRS-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP Cc1ccncc1CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000348096625 1137440003 /nfs/dbraw/zinc/44/00/03/1137440003.db2.gz ROKBRGAJHYABSO-IBGZPJMESA-N 2 1 325.500 3.823 20 0 EHADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390802838 1137457246 /nfs/dbraw/zinc/45/72/46/1137457246.db2.gz RYCFFSZMOLFEMZ-ZFWWWQNUSA-N 2 1 332.435 3.740 20 0 EHADMP OCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714960424 1137474926 /nfs/dbraw/zinc/47/49/26/1137474926.db2.gz JBKGIVZGOJRQLI-LEWJYISDSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714960424 1137474928 /nfs/dbraw/zinc/47/49/28/1137474928.db2.gz JBKGIVZGOJRQLI-LEWJYISDSA-N 2 1 330.516 3.526 20 0 EHADMP OCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714960424 1137474929 /nfs/dbraw/zinc/47/49/29/1137474929.db2.gz JBKGIVZGOJRQLI-LEWJYISDSA-N 2 1 330.516 3.526 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000716619391 1137487662 /nfs/dbraw/zinc/48/76/62/1137487662.db2.gz CTMUZJGJDNRXSQ-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619391 1137487663 /nfs/dbraw/zinc/48/76/63/1137487663.db2.gz CTMUZJGJDNRXSQ-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619391 1137487664 /nfs/dbraw/zinc/48/76/64/1137487664.db2.gz CTMUZJGJDNRXSQ-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619391 1137487665 /nfs/dbraw/zinc/48/76/65/1137487665.db2.gz CTMUZJGJDNRXSQ-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619391 1137487666 /nfs/dbraw/zinc/48/76/66/1137487666.db2.gz CTMUZJGJDNRXSQ-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1ncsc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693140 1137488686 /nfs/dbraw/zinc/48/86/86/1137488686.db2.gz NXKANFRIOIYAJF-OTWHNJEPSA-N 2 1 341.524 3.637 20 0 EHADMP COC(C[N@H+](Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1)OC ZINC001171631960 1137499672 /nfs/dbraw/zinc/49/96/72/1137499672.db2.gz RDNQSADJDRVRPT-UHFFFAOYSA-N 2 1 348.531 3.759 20 0 EHADMP COC(C[N@@H+](Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1)OC ZINC001171631960 1137499674 /nfs/dbraw/zinc/49/96/74/1137499674.db2.gz RDNQSADJDRVRPT-UHFFFAOYSA-N 2 1 348.531 3.759 20 0 EHADMP COc1cncc([C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C2CC2)c1 ZINC001171629176 1137499857 /nfs/dbraw/zinc/49/98/57/1137499857.db2.gz OSMXARJRZJDKNC-GOSISDBHSA-N 2 1 331.504 3.782 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC001171640591 1137504612 /nfs/dbraw/zinc/50/46/12/1137504612.db2.gz GTIVHTIHZQQSFR-UHFFFAOYSA-N 2 1 347.522 3.989 20 0 EHADMP C[C@H]1C[C@@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171725301 1137506274 /nfs/dbraw/zinc/50/62/74/1137506274.db2.gz IYYLPXUEFGPPMW-CUXKYVRBSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1C[C@@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725301 1137506275 /nfs/dbraw/zinc/50/62/75/1137506275.db2.gz IYYLPXUEFGPPMW-CUXKYVRBSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]1C[C@@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171725301 1137506276 /nfs/dbraw/zinc/50/62/76/1137506276.db2.gz IYYLPXUEFGPPMW-CUXKYVRBSA-N 2 1 343.559 3.607 20 0 EHADMP COCc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1OC ZINC000123367770 1137514128 /nfs/dbraw/zinc/51/41/28/1137514128.db2.gz CNTVMGJNCWLUIR-SJORKVTESA-N 2 1 334.504 3.757 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962410 1137519470 /nfs/dbraw/zinc/51/94/70/1137519470.db2.gz CTCMSFANUMLUFZ-NRFANRHFSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962410 1137519472 /nfs/dbraw/zinc/51/94/72/1137519472.db2.gz CTCMSFANUMLUFZ-NRFANRHFSA-N 2 1 343.559 3.751 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171965423 1137520456 /nfs/dbraw/zinc/52/04/56/1137520456.db2.gz PUGMFEZLAQNYAK-FQEVSTJZSA-N 2 1 330.516 3.836 20 0 EHADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001171921990 1137521204 /nfs/dbraw/zinc/52/12/04/1137521204.db2.gz QFEBDQRNPZCCKD-AOCRQIFASA-N 2 1 338.536 3.728 20 0 EHADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991492 1137522731 /nfs/dbraw/zinc/52/27/31/1137522731.db2.gz YOVDTSZAQCZWCY-FQEVSTJZSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991492 1137522733 /nfs/dbraw/zinc/52/27/33/1137522733.db2.gz YOVDTSZAQCZWCY-FQEVSTJZSA-N 2 1 343.559 3.846 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991492 1137522735 /nfs/dbraw/zinc/52/27/35/1137522735.db2.gz YOVDTSZAQCZWCY-FQEVSTJZSA-N 2 1 343.559 3.846 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972516 1137524324 /nfs/dbraw/zinc/52/43/24/1137524324.db2.gz QPQMXRWCDCZYPG-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972516 1137524325 /nfs/dbraw/zinc/52/43/25/1137524325.db2.gz QPQMXRWCDCZYPG-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc3ccnn32)CC[N@@H+]1Cc1ccccc1 ZINC001171974992 1137524510 /nfs/dbraw/zinc/52/45/10/1137524510.db2.gz JNOAEQCCIQTOBU-IBGZPJMESA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc3ccnn32)CC[N@H+]1Cc1ccccc1 ZINC001171974992 1137524512 /nfs/dbraw/zinc/52/45/12/1137524512.db2.gz JNOAEQCCIQTOBU-IBGZPJMESA-N 2 1 348.494 3.867 20 0 EHADMP COC1(C)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976444 1137525019 /nfs/dbraw/zinc/52/50/19/1137525019.db2.gz LICYJHWLYZALIN-LJQANCHMSA-N 2 1 330.516 3.931 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976140 1137525449 /nfs/dbraw/zinc/52/54/49/1137525449.db2.gz PVQKFOQNYWUAQO-PCCBWWKXSA-N 2 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976140 1137525450 /nfs/dbraw/zinc/52/54/50/1137525450.db2.gz PVQKFOQNYWUAQO-PCCBWWKXSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976140 1137525452 /nfs/dbraw/zinc/52/54/52/1137525452.db2.gz PVQKFOQNYWUAQO-PCCBWWKXSA-N 3 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977492 1137525901 /nfs/dbraw/zinc/52/59/01/1137525901.db2.gz BJZAQZPUUGFOHS-SFTDATJTSA-N 2 1 344.543 3.960 20 0 EHADMP CC1(C)C[C@@H](N[C@H]2CC[NH+](C3CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979655 1137526135 /nfs/dbraw/zinc/52/61/35/1137526135.db2.gz MUQKPPMHWZAZNC-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)C[C@@H](N[C@H]2CC[N@@H+](C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979655 1137526136 /nfs/dbraw/zinc/52/61/36/1137526136.db2.gz MUQKPPMHWZAZNC-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)C[C@@H](N[C@H]2CC[N@H+](C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979655 1137526138 /nfs/dbraw/zinc/52/61/38/1137526138.db2.gz MUQKPPMHWZAZNC-PMACEKPBSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984289 1137526970 /nfs/dbraw/zinc/52/69/70/1137526970.db2.gz UNPDWZJZOLLRLW-QFBILLFUSA-N 2 1 326.488 3.514 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984289 1137526972 /nfs/dbraw/zinc/52/69/72/1137526972.db2.gz UNPDWZJZOLLRLW-QFBILLFUSA-N 2 1 326.488 3.514 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984290 1137527479 /nfs/dbraw/zinc/52/74/79/1137527479.db2.gz UNPDWZJZOLLRLW-VQIMIIECSA-N 2 1 326.488 3.514 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984290 1137527481 /nfs/dbraw/zinc/52/74/81/1137527481.db2.gz UNPDWZJZOLLRLW-VQIMIIECSA-N 2 1 326.488 3.514 20 0 EHADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC001172073934 1137529774 /nfs/dbraw/zinc/52/97/74/1137529774.db2.gz FHNKZEMHPDKQTA-NSFFCOSOSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)[NH+]1C ZINC001172073934 1137529776 /nfs/dbraw/zinc/52/97/76/1137529776.db2.gz FHNKZEMHPDKQTA-NSFFCOSOSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)[NH+]1C ZINC001172073934 1137529777 /nfs/dbraw/zinc/52/97/77/1137529777.db2.gz FHNKZEMHPDKQTA-NSFFCOSOSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC001172073931 1137529917 /nfs/dbraw/zinc/52/99/17/1137529917.db2.gz FHNKZEMHPDKQTA-JRQBXCBPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)[NH+]1C ZINC001172073931 1137529918 /nfs/dbraw/zinc/52/99/18/1137529918.db2.gz FHNKZEMHPDKQTA-JRQBXCBPSA-N 2 1 341.543 3.597 20 0 EHADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)[NH+]1C ZINC001172073931 1137529919 /nfs/dbraw/zinc/52/99/19/1137529919.db2.gz FHNKZEMHPDKQTA-JRQBXCBPSA-N 2 1 341.543 3.597 20 0 EHADMP O=C1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172077441 1137530960 /nfs/dbraw/zinc/53/09/60/1137530960.db2.gz SIJBFFKALRQXBY-YSTOQKLRSA-N 2 1 326.484 3.673 20 0 EHADMP O=C1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172077441 1137530962 /nfs/dbraw/zinc/53/09/62/1137530962.db2.gz SIJBFFKALRQXBY-YSTOQKLRSA-N 2 1 326.484 3.673 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cccc(Br)c1)C2 ZINC001172100208 1137532864 /nfs/dbraw/zinc/53/28/64/1137532864.db2.gz BDBIVECOTIYHSS-BJWYYQGGSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@H+]1CCC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172063080 1137533017 /nfs/dbraw/zinc/53/30/17/1137533017.db2.gz WDVNLDHBDOIGRD-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063080 1137533019 /nfs/dbraw/zinc/53/30/19/1137533019.db2.gz WDVNLDHBDOIGRD-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063080 1137533020 /nfs/dbraw/zinc/53/30/20/1137533020.db2.gz WDVNLDHBDOIGRD-KJJMTIBFSA-N 2 1 341.543 3.504 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172066569 1137533385 /nfs/dbraw/zinc/53/33/85/1137533385.db2.gz ZUCVNYGFIIINJE-YUMYIRISSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172066569 1137533387 /nfs/dbraw/zinc/53/33/87/1137533387.db2.gz ZUCVNYGFIIINJE-YUMYIRISSA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066569 1137533390 /nfs/dbraw/zinc/53/33/90/1137533390.db2.gz ZUCVNYGFIIINJE-YUMYIRISSA-N 2 1 341.543 3.644 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1CO ZINC001172067510 1137533488 /nfs/dbraw/zinc/53/34/88/1137533488.db2.gz CPQXIHRBLROCOA-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1CO ZINC001172067510 1137533489 /nfs/dbraw/zinc/53/34/89/1137533489.db2.gz CPQXIHRBLROCOA-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1CO ZINC001172067510 1137533490 /nfs/dbraw/zinc/53/34/90/1137533490.db2.gz CPQXIHRBLROCOA-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1CO ZINC001172067510 1137533491 /nfs/dbraw/zinc/53/34/91/1137533491.db2.gz CPQXIHRBLROCOA-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP CC1(C)C[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001172065421 1137533851 /nfs/dbraw/zinc/53/38/51/1137533851.db2.gz MNFBPYNNUXPEOS-YSTOQKLRSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068119 1137534259 /nfs/dbraw/zinc/53/42/59/1137534259.db2.gz HMJGLKVTZKWVPP-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068119 1137534261 /nfs/dbraw/zinc/53/42/61/1137534261.db2.gz HMJGLKVTZKWVPP-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068119 1137534263 /nfs/dbraw/zinc/53/42/63/1137534263.db2.gz HMJGLKVTZKWVPP-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@@H]1O ZINC001172068119 1137534264 /nfs/dbraw/zinc/53/42/64/1137534264.db2.gz HMJGLKVTZKWVPP-VOFPXKNKSA-N 2 1 342.527 3.665 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125305 1137535005 /nfs/dbraw/zinc/53/50/05/1137535005.db2.gz PGKSAFZHRXWICH-FCGDIQPGSA-N 2 1 334.504 3.931 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125305 1137535006 /nfs/dbraw/zinc/53/50/06/1137535006.db2.gz PGKSAFZHRXWICH-FCGDIQPGSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125305 1137535008 /nfs/dbraw/zinc/53/50/08/1137535008.db2.gz PGKSAFZHRXWICH-FCGDIQPGSA-N 2 1 334.504 3.931 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125305 1137535010 /nfs/dbraw/zinc/53/50/10/1137535010.db2.gz PGKSAFZHRXWICH-FCGDIQPGSA-N 2 1 334.504 3.931 20 0 EHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172133270 1137536126 /nfs/dbraw/zinc/53/61/26/1137536126.db2.gz QSUXAWOSTXXSJC-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172133270 1137536127 /nfs/dbraw/zinc/53/61/27/1137536127.db2.gz QSUXAWOSTXXSJC-YRPNKDGESA-N 2 1 342.483 3.625 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cc(OC(F)(F)F)ccc1F)C2 ZINC001172104317 1137536674 /nfs/dbraw/zinc/53/66/74/1137536674.db2.gz CFEBYNBJTYDDQP-BTTYYORXSA-N 2 1 346.368 3.829 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001172104317 1137536676 /nfs/dbraw/zinc/53/66/76/1137536676.db2.gz CFEBYNBJTYDDQP-BTTYYORXSA-N 2 1 346.368 3.829 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001172104317 1137536677 /nfs/dbraw/zinc/53/66/77/1137536677.db2.gz CFEBYNBJTYDDQP-BTTYYORXSA-N 2 1 346.368 3.829 20 0 EHADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172106222 1137536846 /nfs/dbraw/zinc/53/68/46/1137536846.db2.gz NOTGWZXOVGJGSM-ZSOGYDGISA-N 2 1 342.405 3.819 20 0 EHADMP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106222 1137536847 /nfs/dbraw/zinc/53/68/47/1137536847.db2.gz NOTGWZXOVGJGSM-ZSOGYDGISA-N 2 1 342.405 3.819 20 0 EHADMP COc1cccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172112149 1137537956 /nfs/dbraw/zinc/53/79/56/1137537956.db2.gz SKVXKBXQJHFTJR-REPLKXPHSA-N 2 1 328.500 3.623 20 0 EHADMP COCCC[NH+]1CCC([NH+]2CCC(Sc3ccccc3)CC2)CC1 ZINC001172254536 1137544771 /nfs/dbraw/zinc/54/47/71/1137544771.db2.gz PQNHYCIXUZHJBT-UHFFFAOYSA-N 2 1 348.556 3.744 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172285889 1137547972 /nfs/dbraw/zinc/54/79/72/1137547972.db2.gz VTIDVYFWFMLAQW-KCITZHQASA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172285889 1137547973 /nfs/dbraw/zinc/54/79/73/1137547973.db2.gz VTIDVYFWFMLAQW-KCITZHQASA-N 2 1 348.556 3.848 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172285889 1137547974 /nfs/dbraw/zinc/54/79/74/1137547974.db2.gz VTIDVYFWFMLAQW-KCITZHQASA-N 2 1 348.556 3.848 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172330456 1137551090 /nfs/dbraw/zinc/55/10/90/1137551090.db2.gz NCOBGGPZXVURRS-OKZBNKHCSA-N 2 1 340.552 3.592 20 0 EHADMP CCOCC[C@@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414661 1137556061 /nfs/dbraw/zinc/55/60/61/1137556061.db2.gz SIRAHCPGWPWUEA-BHIYHBOVSA-N 2 1 334.504 3.582 20 0 EHADMP CC[C@@H](CCC(F)(F)F)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000872042098 1137567169 /nfs/dbraw/zinc/56/71/69/1137567169.db2.gz MWXNIAIBPUSUKO-AWEZNQCLSA-N 2 1 344.425 3.773 20 0 EHADMP C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872114702 1137572046 /nfs/dbraw/zinc/57/20/46/1137572046.db2.gz ASOQJZDHYXLIQT-GFCCVEGCSA-N 2 1 339.892 3.588 20 0 EHADMP C[N@@H+](CCCCCC[NH3+])Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000872155548 1137573920 /nfs/dbraw/zinc/57/39/20/1137573920.db2.gz PSPNKWGZZANTPZ-UHFFFAOYSA-N 2 1 329.275 3.592 20 0 EHADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155369 1137573930 /nfs/dbraw/zinc/57/39/30/1137573930.db2.gz LETKKNUAEMXZFA-ZDUSSCGKSA-N 2 1 336.867 3.902 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000872147731 1137574066 /nfs/dbraw/zinc/57/40/66/1137574066.db2.gz KRNAQGABVPVIAV-ZWNOBZJWSA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000872147731 1137574067 /nfs/dbraw/zinc/57/40/67/1137574067.db2.gz KRNAQGABVPVIAV-ZWNOBZJWSA-N 2 1 338.826 3.501 20 0 EHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1)C1CCCC1 ZINC000872158002 1137574321 /nfs/dbraw/zinc/57/43/21/1137574321.db2.gz RGKKDSHGLQEJOQ-JSGCOSHPSA-N 2 1 327.925 3.916 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873261410 1137595622 /nfs/dbraw/zinc/59/56/22/1137595622.db2.gz OIJDZILCMQJHQI-PDZWJXANSA-N 3 1 341.543 3.550 20 0 EHADMP CCOP(=O)(CCC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)OCC ZINC000877631181 1137683666 /nfs/dbraw/zinc/68/36/66/1137683666.db2.gz PTZCXNMQWVNIHM-MRXNPFEDSA-N 2 1 346.452 3.639 20 0 EHADMP CCOP(=O)(CCC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)OCC ZINC000877631181 1137683667 /nfs/dbraw/zinc/68/36/67/1137683667.db2.gz PTZCXNMQWVNIHM-MRXNPFEDSA-N 2 1 346.452 3.639 20 0 EHADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743043 1137687710 /nfs/dbraw/zinc/68/77/10/1137687710.db2.gz SYRXOWGUXTUWSR-UNEWFSDZSA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743043 1137687711 /nfs/dbraw/zinc/68/77/11/1137687711.db2.gz SYRXOWGUXTUWSR-UNEWFSDZSA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743043 1137687712 /nfs/dbraw/zinc/68/77/12/1137687712.db2.gz SYRXOWGUXTUWSR-UNEWFSDZSA-N 2 1 326.406 3.835 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)O2)cc1 ZINC000878132637 1137703784 /nfs/dbraw/zinc/70/37/84/1137703784.db2.gz ARDHROHIXOEWAJ-JBACZVJFSA-N 2 1 328.500 3.715 20 0 EHADMP C=C/C=C\CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000879018727 1137735414 /nfs/dbraw/zinc/73/54/14/1137735414.db2.gz IAGSTNXEBDSWSU-PXDRNWIDSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C\CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018727 1137735415 /nfs/dbraw/zinc/73/54/15/1137735415.db2.gz IAGSTNXEBDSWSU-PXDRNWIDSA-N 2 1 329.488 3.507 20 0 EHADMP C=C/C=C\CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000879018727 1137735416 /nfs/dbraw/zinc/73/54/16/1137735416.db2.gz IAGSTNXEBDSWSU-PXDRNWIDSA-N 2 1 329.488 3.507 20 0 EHADMP CC(C)C[N@H+](Cc1cccnc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879703475 1137755771 /nfs/dbraw/zinc/75/57/71/1137755771.db2.gz NVSCGGGOOYUWQK-UHFFFAOYSA-N 2 1 343.437 3.900 20 0 EHADMP CC(C)C[N@H+](Cc1cc2ccccc2[nH]c1=O)CC1CC[NH+](C)CC1 ZINC000879702745 1137755858 /nfs/dbraw/zinc/75/58/58/1137755858.db2.gz XHFCCXYOTIBGGV-UHFFFAOYSA-N 2 1 341.499 3.740 20 0 EHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1sccc1Cl ZINC000883188613 1137847694 /nfs/dbraw/zinc/84/76/94/1137847694.db2.gz NEWSXABDVFLWAG-UKRRQHHQSA-N 2 1 330.925 3.679 20 0 EHADMP C[C@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000883325878 1137854948 /nfs/dbraw/zinc/85/49/48/1137854948.db2.gz MGGVFIVNIFTVNA-AWEZNQCLSA-N 2 1 348.874 3.837 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386421 1137858824 /nfs/dbraw/zinc/85/88/24/1137858824.db2.gz FWPLCMFAYFDTOX-WMZOPIPTSA-N 2 1 344.499 3.522 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC1(C)C ZINC000883386421 1137858825 /nfs/dbraw/zinc/85/88/25/1137858825.db2.gz FWPLCMFAYFDTOX-WMZOPIPTSA-N 2 1 344.499 3.522 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC2(COC2)CC1 ZINC000883390616 1137859244 /nfs/dbraw/zinc/85/92/44/1137859244.db2.gz QDNZIEQCRQOBKB-UHFFFAOYSA-N 2 1 330.516 3.693 20 0 EHADMP c1ccc([C@H]2CCC[C@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417579 1137860226 /nfs/dbraw/zinc/86/02/26/1137860226.db2.gz FZKSZHFXBKJPPM-NHCUHLMSSA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)O2)cc1 ZINC000883417581 1137860265 /nfs/dbraw/zinc/86/02/65/1137860265.db2.gz FZKSZHFXBKJPPM-SFTDATJTSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883439446 1137860668 /nfs/dbraw/zinc/86/06/68/1137860668.db2.gz RMHMZGPIEHTJJY-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001202561862 1137876260 /nfs/dbraw/zinc/87/62/60/1137876260.db2.gz MFJQFPLFEDQSIJ-YSIASYRMSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001202561862 1137876261 /nfs/dbraw/zinc/87/62/61/1137876261.db2.gz MFJQFPLFEDQSIJ-YSIASYRMSA-N 2 1 348.556 3.707 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001202561862 1137876262 /nfs/dbraw/zinc/87/62/62/1137876262.db2.gz MFJQFPLFEDQSIJ-YSIASYRMSA-N 2 1 348.556 3.707 20 0 EHADMP CC(C)[NH2+]C1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000119010980 1137937309 /nfs/dbraw/zinc/93/73/09/1137937309.db2.gz ALTCXDCVKNQLRB-UHFFFAOYSA-N 2 1 330.394 3.590 20 0 EHADMP C[C@H]1C[N@@H+](CCCc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205981072 1137963003 /nfs/dbraw/zinc/96/30/03/1137963003.db2.gz BNVIRPLROQFXPB-HOCLYGCPSA-N 2 1 339.321 3.689 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000885922545 1138024744 /nfs/dbraw/zinc/02/47/44/1138024744.db2.gz DNAMPVNEZUEVDC-HNNXBMFYSA-N 2 1 326.488 3.691 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000885922545 1138024746 /nfs/dbraw/zinc/02/47/46/1138024746.db2.gz DNAMPVNEZUEVDC-HNNXBMFYSA-N 2 1 326.488 3.691 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000885942389 1138027383 /nfs/dbraw/zinc/02/73/83/1138027383.db2.gz NJIQONCZYSQWLO-IRXDYDNUSA-N 2 1 331.435 3.757 20 0 EHADMP Cc1n[nH]c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1C ZINC000885999686 1138031250 /nfs/dbraw/zinc/03/12/50/1138031250.db2.gz LEUGSTCMPCJLEM-UHFFFAOYSA-N 2 1 338.455 3.541 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886622365 1138103226 /nfs/dbraw/zinc/10/32/26/1138103226.db2.gz QRNBVBOSGBXUMU-ALGQRKQJSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3cc4ccccc4o3)CC2)[nH+]c1C ZINC000886661673 1138110564 /nfs/dbraw/zinc/11/05/64/1138110564.db2.gz ZZADABZBFLBROV-QGZVFWFLSA-N 2 1 339.439 3.686 20 0 EHADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078409720 1138149101 /nfs/dbraw/zinc/14/91/01/1138149101.db2.gz ZEEDWVMXDLQUDI-UHFFFAOYSA-N 2 1 326.488 3.580 20 0 EHADMP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001204012988 1138160355 /nfs/dbraw/zinc/16/03/55/1138160355.db2.gz XTNWOTVDTHPJGR-UHFFFAOYSA-N 2 1 348.537 3.677 20 0 EHADMP c1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001204012988 1138160357 /nfs/dbraw/zinc/16/03/57/1138160357.db2.gz XTNWOTVDTHPJGR-UHFFFAOYSA-N 2 1 348.537 3.677 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000089908030 1138207311 /nfs/dbraw/zinc/20/73/11/1138207311.db2.gz JEDBQAKZKDKTFE-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000089908030 1138207317 /nfs/dbraw/zinc/20/73/17/1138207317.db2.gz JEDBQAKZKDKTFE-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908030 1138207318 /nfs/dbraw/zinc/20/73/18/1138207318.db2.gz JEDBQAKZKDKTFE-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908030 1138207320 /nfs/dbraw/zinc/20/73/20/1138207320.db2.gz JEDBQAKZKDKTFE-MAUKXSAKSA-N 2 1 347.503 3.948 20 0 EHADMP Cc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092820872 1138231959 /nfs/dbraw/zinc/23/19/59/1138231959.db2.gz JFPXSGNGIBTECA-UHFFFAOYSA-N 2 1 330.501 3.585 20 0 EHADMP Cc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092820872 1138231960 /nfs/dbraw/zinc/23/19/60/1138231960.db2.gz JFPXSGNGIBTECA-UHFFFAOYSA-N 2 1 330.501 3.585 20 0 EHADMP CCOc1c(Cl)cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093643876 1138239217 /nfs/dbraw/zinc/23/92/17/1138239217.db2.gz UWQQSXQKAWFIFU-HIFRSBDPSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093643876 1138239218 /nfs/dbraw/zinc/23/92/18/1138239218.db2.gz UWQQSXQKAWFIFU-HIFRSBDPSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093643876 1138239221 /nfs/dbraw/zinc/23/92/21/1138239221.db2.gz UWQQSXQKAWFIFU-HIFRSBDPSA-N 2 1 340.895 3.662 20 0 EHADMP CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000093643907 1138239428 /nfs/dbraw/zinc/23/94/28/1138239428.db2.gz QLSSIBTYINNABR-UKRRQHHQSA-N 2 1 342.430 3.601 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000123329398 1138269428 /nfs/dbraw/zinc/26/94/28/1138269428.db2.gz YIEQXGFQVLSSHE-AEFFLSMTSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000123329398 1138269430 /nfs/dbraw/zinc/26/94/30/1138269430.db2.gz YIEQXGFQVLSSHE-AEFFLSMTSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123329398 1138269431 /nfs/dbraw/zinc/26/94/31/1138269431.db2.gz YIEQXGFQVLSSHE-AEFFLSMTSA-N 2 1 339.483 3.583 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)CC[NH+]1C ZINC000123329398 1138269433 /nfs/dbraw/zinc/26/94/33/1138269433.db2.gz YIEQXGFQVLSSHE-AEFFLSMTSA-N 2 1 339.483 3.583 20 0 EHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128461981 1138390239 /nfs/dbraw/zinc/39/02/39/1138390239.db2.gz CRNGYYQQRYZYET-GOSISDBHSA-N 2 1 349.588 3.865 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337328095 1138534702 /nfs/dbraw/zinc/53/47/02/1138534702.db2.gz DRXULIDAJMCEON-UHFFFAOYSA-N 2 1 341.405 3.891 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337346125 1138539946 /nfs/dbraw/zinc/53/99/46/1138539946.db2.gz VVKONEWJUOTBCM-YOUFYPILSA-N 2 1 345.531 3.587 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000337415415 1138562081 /nfs/dbraw/zinc/56/20/81/1138562081.db2.gz ZDASYLIAWKPHMM-INIZCTEOSA-N 2 1 345.487 3.518 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000338007717 1138722336 /nfs/dbraw/zinc/72/23/36/1138722336.db2.gz BCPABISLCAYDLG-MOPGFXCFSA-N 2 1 327.472 3.555 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000338013667 1138723855 /nfs/dbraw/zinc/72/38/55/1138723855.db2.gz FPHIOLBYIYRUQK-FQEVSTJZSA-N 2 1 338.430 3.803 20 0 EHADMP Cc1cc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)ccn1 ZINC000338042377 1138731777 /nfs/dbraw/zinc/73/17/77/1138731777.db2.gz UCRDWMHRUGGIMY-UHFFFAOYSA-N 2 1 345.446 3.696 20 0 EHADMP Cc1cc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)ccn1 ZINC000338042377 1138731779 /nfs/dbraw/zinc/73/17/79/1138731779.db2.gz UCRDWMHRUGGIMY-UHFFFAOYSA-N 2 1 345.446 3.696 20 0 EHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000338269940 1138808793 /nfs/dbraw/zinc/80/87/93/1138808793.db2.gz IUHVJNZXGHBNSD-INIZCTEOSA-N 2 1 335.561 3.933 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000338269940 1138808800 /nfs/dbraw/zinc/80/88/00/1138808800.db2.gz IUHVJNZXGHBNSD-INIZCTEOSA-N 2 1 335.561 3.933 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OCCC(C)C ZINC000178391761 1139691590 /nfs/dbraw/zinc/69/15/90/1139691590.db2.gz UHRKHBLMAXABTB-INIZCTEOSA-N 2 1 334.504 3.865 20 0 EHADMP Cc1ccc2ncc(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)n2c1 ZINC000178884858 1139723760 /nfs/dbraw/zinc/72/37/60/1139723760.db2.gz UONDWKJBNNNINR-UHFFFAOYSA-N 2 1 336.483 3.773 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000180515480 1139840543 /nfs/dbraw/zinc/84/05/43/1139840543.db2.gz CDWNOJDMCQNGMX-NRFANRHFSA-N 2 1 338.495 3.603 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180627071 1139851182 /nfs/dbraw/zinc/85/11/82/1139851182.db2.gz GGEFNPVQNSDJHR-KRWDZBQOSA-N 2 1 336.483 3.909 20 0 EHADMP C(=C/C[N@@H+](Cc1cccnc1)C1CC1)\C[NH+](Cc1cccnc1)C1CC1 ZINC000180736872 1139859629 /nfs/dbraw/zinc/85/96/29/1139859629.db2.gz QUTVZGPPBGMEBK-OWOJBTEDSA-N 2 1 348.494 3.662 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000181737053 1139927573 /nfs/dbraw/zinc/92/75/73/1139927573.db2.gz DIFQQFUVHJOKEI-CEWLAPEOSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000181737053 1139927578 /nfs/dbraw/zinc/92/75/78/1139927578.db2.gz DIFQQFUVHJOKEI-CEWLAPEOSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737053 1139927582 /nfs/dbraw/zinc/92/75/82/1139927582.db2.gz DIFQQFUVHJOKEI-CEWLAPEOSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737053 1139927587 /nfs/dbraw/zinc/92/75/87/1139927587.db2.gz DIFQQFUVHJOKEI-CEWLAPEOSA-N 2 1 346.515 3.515 20 0 EHADMP CC(C)Cn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000181780307 1139929723 /nfs/dbraw/zinc/92/97/23/1139929723.db2.gz MIDDGUACFBTJKA-UHFFFAOYSA-N 2 1 328.504 3.669 20 0 EHADMP COC1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000183157993 1140017316 /nfs/dbraw/zinc/01/73/16/1140017316.db2.gz ROOQBHQQAHIQFX-UHFFFAOYSA-N 2 1 342.483 3.959 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000183194648 1140019855 /nfs/dbraw/zinc/01/98/55/1140019855.db2.gz GTPICYXHHVJPAT-HZUJVAHNSA-N 2 1 328.500 3.925 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1NC(C)=O ZINC000184510289 1140106337 /nfs/dbraw/zinc/10/63/37/1140106337.db2.gz AWHIUZIFKAEOFU-HOTGVXAUSA-N 2 1 347.503 3.569 20 0 EHADMP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC(C)C ZINC000186384306 1140201629 /nfs/dbraw/zinc/20/16/29/1140201629.db2.gz YKRUCDPUXREDTK-HXUWFJFHSA-N 2 1 334.504 3.624 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000191477011 1140466542 /nfs/dbraw/zinc/46/65/42/1140466542.db2.gz NMINKTYPSOTRBH-UHFFFAOYSA-N 2 1 328.485 3.967 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000191477011 1140466546 /nfs/dbraw/zinc/46/65/46/1140466546.db2.gz NMINKTYPSOTRBH-UHFFFAOYSA-N 2 1 328.485 3.967 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000192747473 1140549253 /nfs/dbraw/zinc/54/92/53/1140549253.db2.gz IAVYMJOWGVLRRE-RXVVDRJESA-N 2 1 347.522 3.625 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)c2cc1C ZINC000266902698 1140735509 /nfs/dbraw/zinc/73/55/09/1140735509.db2.gz GZRQFZKAFFVQQW-HNNXBMFYSA-N 2 1 337.423 3.513 20 0 EHADMP CCCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000268809774 1140997425 /nfs/dbraw/zinc/99/74/25/1140997425.db2.gz LUSNXFWTWDYWNG-OAHLLOKOSA-N 2 1 331.460 3.730 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837879 1141003746 /nfs/dbraw/zinc/00/37/46/1141003746.db2.gz QBNQHLKPEUHCAZ-UYAOXDASSA-N 2 1 348.494 3.537 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268837879 1141003751 /nfs/dbraw/zinc/00/37/51/1141003751.db2.gz QBNQHLKPEUHCAZ-UYAOXDASSA-N 2 1 348.494 3.537 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268991673 1141040704 /nfs/dbraw/zinc/04/07/04/1141040704.db2.gz RMYJCDBGKPZSAV-SESVDKBCSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268991673 1141040712 /nfs/dbraw/zinc/04/07/12/1141040712.db2.gz RMYJCDBGKPZSAV-SESVDKBCSA-N 2 1 332.532 3.674 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269015474 1141046583 /nfs/dbraw/zinc/04/65/83/1141046583.db2.gz YEZRXWCWEYZJAE-AZUAARDMSA-N 2 1 332.532 3.818 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269015474 1141046590 /nfs/dbraw/zinc/04/65/90/1141046590.db2.gz YEZRXWCWEYZJAE-AZUAARDMSA-N 2 1 332.532 3.818 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000269111211 1141066573 /nfs/dbraw/zinc/06/65/73/1141066573.db2.gz VTDIHRVKSWLKIH-GFOJFJKKSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000269111211 1141066580 /nfs/dbraw/zinc/06/65/80/1141066580.db2.gz VTDIHRVKSWLKIH-GFOJFJKKSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270696896 1141258315 /nfs/dbraw/zinc/25/83/15/1141258315.db2.gz XDZJXGCIERQFGR-QZTJIDSGSA-N 2 1 331.460 3.543 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270696896 1141258317 /nfs/dbraw/zinc/25/83/17/1141258317.db2.gz XDZJXGCIERQFGR-QZTJIDSGSA-N 2 1 331.460 3.543 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000270880187 1141279596 /nfs/dbraw/zinc/27/95/96/1141279596.db2.gz NKOCTGPTHBBBTC-PMACEKPBSA-N 2 1 327.472 3.560 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000270880187 1141279600 /nfs/dbraw/zinc/27/96/00/1141279600.db2.gz NKOCTGPTHBBBTC-PMACEKPBSA-N 2 1 327.472 3.560 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271345790 1141349272 /nfs/dbraw/zinc/34/92/72/1141349272.db2.gz CUUJIFOQLHFANE-NHCUHLMSSA-N 2 1 348.506 3.626 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3nc(-c4ccccc4)cs3)CC[C@H]21 ZINC000271360191 1141350592 /nfs/dbraw/zinc/35/05/92/1141350592.db2.gz QTDVCACFPADKNJ-SJLPKXTDSA-N 2 1 327.497 3.726 20 0 EHADMP CC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccc(C[NH+](C)C)cc1 ZINC000348962771 1141615860 /nfs/dbraw/zinc/61/58/60/1141615860.db2.gz HTXMAUMIUBWCCS-UHFFFAOYSA-N 2 1 336.483 3.726 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)CC1 ZINC000349125237 1141641896 /nfs/dbraw/zinc/64/18/96/1141641896.db2.gz CZXIRYRQDCCXGF-AWEZNQCLSA-N 2 1 333.476 3.599 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)s1 ZINC000019913180 212083817 /nfs/dbraw/zinc/08/38/17/212083817.db2.gz GREMNKCKZVLDLL-GFCCVEGCSA-N 2 1 331.323 3.865 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)s1 ZINC000019913180 212083820 /nfs/dbraw/zinc/08/38/20/212083820.db2.gz GREMNKCKZVLDLL-GFCCVEGCSA-N 2 1 331.323 3.865 20 0 EHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC001165033334 721862227 /nfs/dbraw/zinc/86/22/27/721862227.db2.gz KGZCWVYYMFDVKH-HXUWFJFHSA-N 2 1 342.531 3.693 20 0 EHADMP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027832 1032065460 /nfs/dbraw/zinc/06/54/60/1032065460.db2.gz JMNLBZSNDMJVHB-LJQANCHMSA-N 2 1 344.478 3.532 20 0 EHADMP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027832 1032065472 /nfs/dbraw/zinc/06/54/72/1032065472.db2.gz JMNLBZSNDMJVHB-LJQANCHMSA-N 2 1 344.478 3.532 20 0 EHADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027832 1032065489 /nfs/dbraw/zinc/06/54/89/1032065489.db2.gz JMNLBZSNDMJVHB-LJQANCHMSA-N 2 1 344.478 3.532 20 0 EHADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2ccc(F)cc2)n1 ZINC000449027832 1032065505 /nfs/dbraw/zinc/06/55/05/1032065505.db2.gz JMNLBZSNDMJVHB-LJQANCHMSA-N 2 1 344.478 3.532 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000537973584 1032075653 /nfs/dbraw/zinc/07/56/53/1032075653.db2.gz QYNZLEOKYQFTAH-WIYYLYMNSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000537973584 1032075664 /nfs/dbraw/zinc/07/56/64/1032075664.db2.gz QYNZLEOKYQFTAH-WIYYLYMNSA-N 2 1 330.516 3.836 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000579778665 1014468913 /nfs/dbraw/zinc/46/89/13/1014468913.db2.gz VFJHUBALXCYZMO-FGZHOGPDSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000579778665 1014468923 /nfs/dbraw/zinc/46/89/23/1014468923.db2.gz VFJHUBALXCYZMO-FGZHOGPDSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000579778665 1014468929 /nfs/dbraw/zinc/46/89/29/1014468929.db2.gz VFJHUBALXCYZMO-FGZHOGPDSA-N 2 1 342.527 3.647 20 0 EHADMP C[C@H]([NH2+]CCn1cnc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274748569 1014801049 /nfs/dbraw/zinc/80/10/49/1014801049.db2.gz BGVCSUWSYOYPAW-AZUAARDMSA-N 2 1 348.494 3.537 20 0 EHADMP C[C@@H](NC1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865623 1015523892 /nfs/dbraw/zinc/52/38/92/1015523892.db2.gz DUNXLSBHEFUYHM-QUCCMNQESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274865623 1015523901 /nfs/dbraw/zinc/52/39/01/1015523901.db2.gz DUNXLSBHEFUYHM-QUCCMNQESA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865623 1015523912 /nfs/dbraw/zinc/52/39/12/1015523912.db2.gz DUNXLSBHEFUYHM-QUCCMNQESA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H](NC1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865626 1015524106 /nfs/dbraw/zinc/52/41/06/1015524106.db2.gz DUNXLSBHEFUYHM-UYAOXDASSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274865626 1015524116 /nfs/dbraw/zinc/52/41/16/1015524116.db2.gz DUNXLSBHEFUYHM-UYAOXDASSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865626 1015524131 /nfs/dbraw/zinc/52/41/31/1015524131.db2.gz DUNXLSBHEFUYHM-UYAOXDASSA-N 3 1 341.543 3.504 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1SC ZINC000459429873 1032117875 /nfs/dbraw/zinc/11/78/75/1032117875.db2.gz ILLXOECIQAOHIO-MAAHGYRXSA-N 2 1 345.512 3.740 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979655 1015692261 /nfs/dbraw/zinc/69/22/61/1015692261.db2.gz ZAGHQAGUMYOXPM-AEFFLSMTSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000274979655 1015692270 /nfs/dbraw/zinc/69/22/70/1015692270.db2.gz ZAGHQAGUMYOXPM-AEFFLSMTSA-N 2 1 343.902 3.950 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846795 1015740410 /nfs/dbraw/zinc/74/04/10/1015740410.db2.gz LAQBZOCTOOORPW-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846795 1015740415 /nfs/dbraw/zinc/74/04/15/1015740415.db2.gz LAQBZOCTOOORPW-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000339846795 1015740416 /nfs/dbraw/zinc/74/04/16/1015740416.db2.gz LAQBZOCTOOORPW-MAUKXSAKSA-N 2 1 329.875 3.804 20 0 EHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449087338 1032146724 /nfs/dbraw/zinc/14/67/24/1032146724.db2.gz GBMNBAQQUZZLFR-UHFFFAOYSA-N 2 1 332.488 3.591 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587017 1016382268 /nfs/dbraw/zinc/38/22/68/1016382268.db2.gz QYWHIYZTISQFJF-GUXCAODWSA-N 2 1 349.950 3.623 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000179540101 1016874202 /nfs/dbraw/zinc/87/42/02/1016874202.db2.gz LFRLLWQVGMKNRU-RXVVDRJESA-N 2 1 338.495 3.880 20 0 EHADMP CCOCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000782967993 1016892724 /nfs/dbraw/zinc/89/27/24/1016892724.db2.gz CSBUEXAQQCEJHA-PKOBYXMFSA-N 2 1 346.515 3.802 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449073185 1032159757 /nfs/dbraw/zinc/15/97/57/1032159757.db2.gz MPOHRCZVLODPOS-UHFFFAOYSA-N 2 1 339.455 3.908 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449073185 1032159766 /nfs/dbraw/zinc/15/97/66/1032159766.db2.gz MPOHRCZVLODPOS-UHFFFAOYSA-N 2 1 339.455 3.908 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449078963 1032169481 /nfs/dbraw/zinc/16/94/81/1032169481.db2.gz NANGGNBTQGFWPN-WOJBJXKFSA-N 2 1 343.559 3.546 20 0 EHADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379616145 1032174557 /nfs/dbraw/zinc/17/45/57/1032174557.db2.gz BRFKWXNGQLYWFG-ROUUACIJSA-N 2 1 326.484 3.823 20 0 EHADMP Clc1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856651 1032239002 /nfs/dbraw/zinc/23/90/02/1032239002.db2.gz WMJCZLUUSUFBMK-GOSISDBHSA-N 2 1 345.874 3.546 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654834 1032250684 /nfs/dbraw/zinc/25/06/84/1032250684.db2.gz KCLIFSSGXFYBST-KNQAVFIVSA-N 2 1 338.495 3.846 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379654834 1032250698 /nfs/dbraw/zinc/25/06/98/1032250698.db2.gz KCLIFSSGXFYBST-KNQAVFIVSA-N 2 1 338.495 3.846 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905074535 1032343092 /nfs/dbraw/zinc/34/30/92/1032343092.db2.gz ZATKIOZGNOTBQR-DYVFJYSZSA-N 2 1 345.314 3.737 20 0 EHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459722538 1032428747 /nfs/dbraw/zinc/42/87/47/1032428747.db2.gz BRUFHKLTPPOVOD-LBPRGKRZSA-N 2 1 331.287 3.824 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730668 1032435353 /nfs/dbraw/zinc/43/53/53/1032435353.db2.gz FDJLBSRDGUNGKC-GOEBONIOSA-N 2 1 339.321 3.702 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCC3(F)F)sc2C1 ZINC000449381304 1032507815 /nfs/dbraw/zinc/50/78/15/1032507815.db2.gz YCBPIKOWXTXEAY-ZDUSSCGKSA-N 2 1 343.487 3.825 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCC3(F)F)sc2C1 ZINC000449381304 1032507818 /nfs/dbraw/zinc/50/78/18/1032507818.db2.gz YCBPIKOWXTXEAY-ZDUSSCGKSA-N 2 1 343.487 3.825 20 0 EHADMP O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090545702 1032585023 /nfs/dbraw/zinc/58/50/23/1032585023.db2.gz XQZFRKVRFQGNQJ-RBBKRZOGSA-N 2 1 344.543 3.614 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090723081 1032595289 /nfs/dbraw/zinc/59/52/89/1032595289.db2.gz KBPZKNSRKVEHFL-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090723081 1032595298 /nfs/dbraw/zinc/59/52/98/1032595298.db2.gz KBPZKNSRKVEHFL-QUCCMNQESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449475847 1032596642 /nfs/dbraw/zinc/59/66/42/1032596642.db2.gz FVDISFSFKZVOHI-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000449475847 1032596651 /nfs/dbraw/zinc/59/66/51/1032596651.db2.gz FVDISFSFKZVOHI-GIVPXCGWSA-N 2 1 342.527 3.978 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449481053 1032626368 /nfs/dbraw/zinc/62/63/68/1032626368.db2.gz QOKPXUYIDBALGC-LJQANCHMSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@H]1CCC[C@@](C[NH2+]C2CCN(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000378888443 1017365391 /nfs/dbraw/zinc/36/53/91/1017365391.db2.gz OXPBJBDLDCPBBE-GHTZIAJQSA-N 2 1 329.532 3.756 20 0 EHADMP FC(F)(F)COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054175 1017473233 /nfs/dbraw/zinc/47/32/33/1017473233.db2.gz PMAPXTLCZYIKDL-NVXWUHKLSA-N 2 1 342.405 3.592 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415061268 1017487957 /nfs/dbraw/zinc/48/79/57/1017487957.db2.gz ZXENTIAURJRYDG-GOEBONIOSA-N 2 1 328.378 3.549 20 0 EHADMP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415061003 1017489440 /nfs/dbraw/zinc/48/94/40/1017489440.db2.gz XPDQZOOXDRXTCQ-QFIPXVFZSA-N 3 1 337.511 3.721 20 0 EHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415068465 1017499086 /nfs/dbraw/zinc/49/90/86/1017499086.db2.gz RBXRQHCYJFOMPO-SUMWQHHRSA-N 2 1 326.431 3.716 20 0 EHADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1Oc1cccnc1 ZINC000415071942 1017513734 /nfs/dbraw/zinc/51/37/34/1017513734.db2.gz XEVQUBHYGLHKNI-LJQANCHMSA-N 2 1 325.456 3.789 20 0 EHADMP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)cn1 ZINC000415080418 1017521412 /nfs/dbraw/zinc/52/14/12/1017521412.db2.gz JFZSVNCPMNUNCX-YADHBBJMSA-N 2 1 346.478 3.514 20 0 EHADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000415086131 1017532063 /nfs/dbraw/zinc/53/20/63/1017532063.db2.gz UFTXSWGCKVOXDT-WMLDXEAASA-N 2 1 329.419 3.633 20 0 EHADMP COc1cccc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415095435 1017540286 /nfs/dbraw/zinc/54/02/86/1017540286.db2.gz ZPFKXRCMBYOTEN-DOTOQJQBSA-N 2 1 332.488 3.637 20 0 EHADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1Br ZINC000415108813 1017566498 /nfs/dbraw/zinc/56/64/98/1017566498.db2.gz QNKZVKMAGPUZCG-ARFHVFGLSA-N 2 1 337.305 3.768 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415129014 1017593742 /nfs/dbraw/zinc/59/37/42/1017593742.db2.gz TYAGPBPZLFFXGH-KSSFIOAISA-N 2 1 340.870 3.506 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000655788229 1017604429 /nfs/dbraw/zinc/60/44/29/1017604429.db2.gz FNBXUXHZACHWNJ-GFRNBQLOSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000655788229 1017604431 /nfs/dbraw/zinc/60/44/31/1017604431.db2.gz FNBXUXHZACHWNJ-GFRNBQLOSA-N 2 1 342.527 3.977 20 0 EHADMP CCCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000340419131 1017692593 /nfs/dbraw/zinc/69/25/93/1017692593.db2.gz WSFGZMMTUIYXBP-ZWKOTPCHSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000340419131 1017692602 /nfs/dbraw/zinc/69/26/02/1017692602.db2.gz WSFGZMMTUIYXBP-ZWKOTPCHSA-N 2 1 332.488 3.591 20 0 EHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000340419131 1017692610 /nfs/dbraw/zinc/69/26/10/1017692610.db2.gz WSFGZMMTUIYXBP-ZWKOTPCHSA-N 2 1 332.488 3.591 20 0 EHADMP COc1nc2ccccc2cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000547968591 1017780535 /nfs/dbraw/zinc/78/05/35/1017780535.db2.gz OEUAGDCFACIKJU-UHFFFAOYSA-N 2 1 327.472 3.642 20 0 EHADMP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)nc1 ZINC000892943541 1017850363 /nfs/dbraw/zinc/85/03/63/1017850363.db2.gz HLTCSIQWJXUEDE-UHFFFAOYSA-N 2 1 339.483 3.612 20 0 EHADMP Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C2CC2)n1 ZINC000893019766 1018179364 /nfs/dbraw/zinc/17/93/64/1018179364.db2.gz MURMRURDGYQJEX-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C2CC2)n1 ZINC000893019766 1018179370 /nfs/dbraw/zinc/17/93/70/1018179370.db2.gz MURMRURDGYQJEX-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C2CC2)n1 ZINC000893019766 1018179377 /nfs/dbraw/zinc/17/93/77/1018179377.db2.gz MURMRURDGYQJEX-HNAYVOBHSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C1CC1 ZINC000893020275 1018181095 /nfs/dbraw/zinc/18/10/95/1018181095.db2.gz PFMAVXACABPTAX-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C1CC1 ZINC000893020275 1018181103 /nfs/dbraw/zinc/18/11/03/1018181103.db2.gz PFMAVXACABPTAX-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C1CC1 ZINC000893020275 1018181109 /nfs/dbraw/zinc/18/11/09/1018181109.db2.gz PFMAVXACABPTAX-KXBFYZLASA-N 2 1 344.528 3.532 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000584540053 1018445882 /nfs/dbraw/zinc/44/58/82/1018445882.db2.gz MIXWQOXQIHSZMQ-YEWWUXTCSA-N 2 1 330.501 3.580 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000584540053 1018445894 /nfs/dbraw/zinc/44/58/94/1018445894.db2.gz MIXWQOXQIHSZMQ-YEWWUXTCSA-N 2 1 330.501 3.580 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000052208727 1018869913 /nfs/dbraw/zinc/86/99/13/1018869913.db2.gz DEIQOTMQQWXZRX-UHFFFAOYSA-N 2 1 340.515 3.882 20 0 EHADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCCC(C)C ZINC000340674340 1019153606 /nfs/dbraw/zinc/15/36/06/1019153606.db2.gz FQZJZRIUKMHMGP-UHFFFAOYSA-N 2 1 346.515 3.696 20 0 EHADMP C[N@@H+](CCOc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513155481 1019189790 /nfs/dbraw/zinc/18/97/90/1019189790.db2.gz WJSZUVSQZAABLT-YIONKMFJSA-N 2 1 343.298 3.929 20 0 EHADMP C[NH+](CCOc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513155481 1019189794 /nfs/dbraw/zinc/18/97/94/1019189794.db2.gz WJSZUVSQZAABLT-YIONKMFJSA-N 2 1 343.298 3.929 20 0 EHADMP C[NH+](CCOc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513155481 1019189799 /nfs/dbraw/zinc/18/97/99/1019189799.db2.gz WJSZUVSQZAABLT-YIONKMFJSA-N 2 1 343.298 3.929 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557151 1019330028 /nfs/dbraw/zinc/33/00/28/1019330028.db2.gz OKVBXAZPYMDYPG-LZJOCLMNSA-N 2 1 348.494 3.844 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639353560 1019368169 /nfs/dbraw/zinc/36/81/69/1019368169.db2.gz XTWYVXFRCRTBAC-IBQBDNGPSA-N 2 1 328.500 3.756 20 0 EHADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639353560 1019368190 /nfs/dbraw/zinc/36/81/90/1019368190.db2.gz XTWYVXFRCRTBAC-IBQBDNGPSA-N 2 1 328.500 3.756 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000580452155 1019391019 /nfs/dbraw/zinc/39/10/19/1019391019.db2.gz PHUBAVSCAARURR-RBUKOAKNSA-N 2 1 332.532 3.989 20 0 EHADMP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000580452155 1019391032 /nfs/dbraw/zinc/39/10/32/1019391032.db2.gz PHUBAVSCAARURR-RBUKOAKNSA-N 2 1 332.532 3.989 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513232147 1019429185 /nfs/dbraw/zinc/42/91/85/1019429185.db2.gz GKMSANPDNKVSPZ-NRSPTQNISA-N 2 1 332.532 3.816 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513232147 1019429191 /nfs/dbraw/zinc/42/91/91/1019429191.db2.gz GKMSANPDNKVSPZ-NRSPTQNISA-N 2 1 332.532 3.816 20 0 EHADMP COC1CCC(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000894225287 1019634122 /nfs/dbraw/zinc/63/41/22/1019634122.db2.gz BQXXLKVYGOSHKQ-DQVLVPHSSA-N 2 1 330.516 3.693 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3F)nc2C)C[C@@H]1C ZINC000656253001 1019650410 /nfs/dbraw/zinc/65/04/10/1019650410.db2.gz HNNAGVIZFMYDQZ-YJBOKZPZSA-N 2 1 344.478 3.624 20 0 EHADMP Cc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cnc1F ZINC000894227917 1019706099 /nfs/dbraw/zinc/70/60/99/1019706099.db2.gz XMXBYUNCKHTURR-HXUWFJFHSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC000894227917 1019706114 /nfs/dbraw/zinc/70/61/14/1019706114.db2.gz XMXBYUNCKHTURR-HXUWFJFHSA-N 2 1 327.447 3.531 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@H]2C)CC1 ZINC000500982276 1019710552 /nfs/dbraw/zinc/71/05/52/1019710552.db2.gz YFHKFIICCUNPIC-QZTJIDSGSA-N 2 1 347.522 3.549 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000047976468 1019783311 /nfs/dbraw/zinc/78/33/11/1019783311.db2.gz QBAUQBPLNMUYRZ-UHFFFAOYSA-N 2 1 333.501 3.957 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000513678619 1019927196 /nfs/dbraw/zinc/92/71/96/1019927196.db2.gz PWGVSXIBMNIHTM-VNQPRFMTSA-N 2 1 342.405 3.547 20 0 EHADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000345186652 1020038082 /nfs/dbraw/zinc/03/80/82/1020038082.db2.gz DIIAFYFIYAFFAN-CEXWTWQISA-N 2 1 340.515 3.539 20 0 EHADMP CCOc1cccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)n1 ZINC000119320359 1032885155 /nfs/dbraw/zinc/88/51/55/1032885155.db2.gz SNLVAFLFQHDRCX-UHFFFAOYSA-N 2 1 339.483 3.577 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000580952684 1020297223 /nfs/dbraw/zinc/29/72/23/1020297223.db2.gz PNJOAYCSQDOGSR-SFHVURJKSA-N 2 1 346.478 3.710 20 0 EHADMP CC(C)[C@@H](O)C1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000345718795 1020472296 /nfs/dbraw/zinc/47/22/96/1020472296.db2.gz ZSCMAKFRNXPFNN-LJQANCHMSA-N 2 1 332.532 3.531 20 0 EHADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000581564059 1021092272 /nfs/dbraw/zinc/09/22/72/1021092272.db2.gz FPQNVLAQQDIZPU-KNOXWWKRSA-N 2 1 342.527 3.570 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430627831 1021278707 /nfs/dbraw/zinc/27/87/07/1021278707.db2.gz NWEJKWSRAPLYAS-SFHVURJKSA-N 2 1 328.431 3.575 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000507504932 1021315766 /nfs/dbraw/zinc/31/57/66/1021315766.db2.gz CXHNCOUDEXQFNA-OPYAIIAOSA-N 2 1 330.516 3.823 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2cnn(C(C)C)c2)c(C)c1 ZINC000341296620 1021371752 /nfs/dbraw/zinc/37/17/52/1021371752.db2.gz ZJHCKPQUGGYKOC-HXUWFJFHSA-N 2 1 337.471 3.808 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(CO)cc2)C[N@H+]1Cc1ccccc1 ZINC000638795775 1021405859 /nfs/dbraw/zinc/40/58/59/1021405859.db2.gz FJYIVEYNCSANMW-PGRDOPGGSA-N 2 1 338.495 3.569 20 0 EHADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699540 1021440484 /nfs/dbraw/zinc/44/04/84/1021440484.db2.gz YXYCSOUSYQSDSE-DNVCBOLYSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000518699540 1021440491 /nfs/dbraw/zinc/44/04/91/1021440491.db2.gz YXYCSOUSYQSDSE-DNVCBOLYSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699540 1021440503 /nfs/dbraw/zinc/44/05/03/1021440503.db2.gz YXYCSOUSYQSDSE-DNVCBOLYSA-N 2 1 336.882 3.970 20 0 EHADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000518699540 1021440514 /nfs/dbraw/zinc/44/05/14/1021440514.db2.gz YXYCSOUSYQSDSE-DNVCBOLYSA-N 2 1 336.882 3.970 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1O ZINC000426417783 1021529357 /nfs/dbraw/zinc/52/93/57/1021529357.db2.gz CLKPADXOEZLHKH-QZTJIDSGSA-N 2 1 348.531 3.966 20 0 EHADMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000684423714 1021781442 /nfs/dbraw/zinc/78/14/42/1021781442.db2.gz CGGBSVRKBWJPTE-OAQYLSRUSA-N 2 1 346.515 3.552 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000298261771 1021803033 /nfs/dbraw/zinc/80/30/33/1021803033.db2.gz FSSSYYRDIOHFLN-UHFFFAOYSA-N 3 1 341.543 3.635 20 0 EHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000517011959 1021938570 /nfs/dbraw/zinc/93/85/70/1021938570.db2.gz NTMYQAAOOQZLMB-DNVJHFABSA-N 2 1 349.522 3.965 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000341456490 1021954726 /nfs/dbraw/zinc/95/47/26/1021954726.db2.gz BNPHJWIGWNORCV-OAHLLOKOSA-N 2 1 331.460 3.730 20 0 EHADMP CCCCOc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000276655903 1022053287 /nfs/dbraw/zinc/05/32/87/1022053287.db2.gz NDCSCESLJFBYBQ-OAHLLOKOSA-N 2 1 331.460 3.501 20 0 EHADMP Cc1nccn1CCC[N@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441253877 1022100920 /nfs/dbraw/zinc/10/09/20/1022100920.db2.gz LKXHJVQZGSUYGV-JKSUJKDBSA-N 2 1 349.906 3.549 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441253877 1022100926 /nfs/dbraw/zinc/10/09/26/1022100926.db2.gz LKXHJVQZGSUYGV-JKSUJKDBSA-N 2 1 349.906 3.549 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441253877 1022100929 /nfs/dbraw/zinc/10/09/29/1022100929.db2.gz LKXHJVQZGSUYGV-JKSUJKDBSA-N 2 1 349.906 3.549 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CCCC2)cc1 ZINC000187821494 1022252526 /nfs/dbraw/zinc/25/25/26/1022252526.db2.gz UHQCIXLMKFPKBB-NRFANRHFSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@H]([NH2+]Cc1cccc2c1NCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894435012 1022280878 /nfs/dbraw/zinc/28/08/78/1022280878.db2.gz ZLNNGZOWEBEGPS-LPHOPBHVSA-N 2 1 327.516 3.787 20 0 EHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000517388139 1022297716 /nfs/dbraw/zinc/29/77/16/1022297716.db2.gz XNLRFHJURYYLMB-PXNSSMCTSA-N 2 1 346.478 3.851 20 0 EHADMP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000471830182 1022460761 /nfs/dbraw/zinc/46/07/61/1022460761.db2.gz AVAVLFREWXMXCQ-HKUYNNGSSA-N 2 1 329.513 3.624 20 0 EHADMP COc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000550116467 1022490764 /nfs/dbraw/zinc/49/07/64/1022490764.db2.gz PVTGBEOKXDJUNO-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP COc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000550116467 1022490772 /nfs/dbraw/zinc/49/07/72/1022490772.db2.gz PVTGBEOKXDJUNO-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP CC1CCN(C(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000341610341 1022551859 /nfs/dbraw/zinc/55/18/59/1022551859.db2.gz GNGGFIKOXRUOAF-SFHVURJKSA-N 2 1 342.531 3.675 20 0 EHADMP Fc1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)ccn1 ZINC001167975089 1022569339 /nfs/dbraw/zinc/56/93/39/1022569339.db2.gz GTXLZIHXONUUMY-DLZDZTESSA-N 2 1 329.463 3.667 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000449686585 1033066585 /nfs/dbraw/zinc/06/65/85/1033066585.db2.gz ZIBVOHWKIBXKJQ-JXFKEZNVSA-N 2 1 325.456 3.744 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000449686585 1033066604 /nfs/dbraw/zinc/06/66/04/1033066604.db2.gz ZIBVOHWKIBXKJQ-JXFKEZNVSA-N 2 1 325.456 3.744 20 0 EHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c2C1 ZINC000438352489 1022599739 /nfs/dbraw/zinc/59/97/39/1022599739.db2.gz HPIJAHUFSWVRQE-QGZVFWFLSA-N 2 1 343.515 3.861 20 0 EHADMP COc1cccc(C(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167975463 1022624538 /nfs/dbraw/zinc/62/45/38/1022624538.db2.gz PUXSTMIZXGJFHD-YQQQUEKLSA-N 2 1 328.500 3.925 20 0 EHADMP Cc1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)c1 ZINC001167981970 1022788737 /nfs/dbraw/zinc/78/87/37/1022788737.db2.gz REOCXTZZKGLUNO-VTHDOGFWSA-N 2 1 325.500 3.836 20 0 EHADMP C[NH+](C)CC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000506864089 1022955763 /nfs/dbraw/zinc/95/57/63/1022955763.db2.gz ZEVOVSCZDCUGOT-UHFFFAOYSA-N 2 1 345.712 3.876 20 0 EHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000562956462 1022989331 /nfs/dbraw/zinc/98/93/31/1022989331.db2.gz WRXZZZZOGMQKMG-OAHLLOKOSA-N 2 1 341.293 3.641 20 0 EHADMP Clc1cccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441464155 1022992443 /nfs/dbraw/zinc/99/24/43/1022992443.db2.gz ABYUVQCMUKXSHV-QGZVFWFLSA-N 2 1 336.907 3.917 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1O ZINC000426153474 1022993662 /nfs/dbraw/zinc/99/36/62/1022993662.db2.gz NGGODIDDYWELTQ-YESZJQIVSA-N 2 1 334.504 3.574 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1O ZINC000426153474 1022993676 /nfs/dbraw/zinc/99/36/76/1022993676.db2.gz NGGODIDDYWELTQ-YESZJQIVSA-N 2 1 334.504 3.574 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000189305303 1022997204 /nfs/dbraw/zinc/99/72/04/1022997204.db2.gz URHOQPIURQGJGQ-UHFFFAOYSA-N 2 1 344.478 3.565 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937893 1023001090 /nfs/dbraw/zinc/00/10/90/1023001090.db2.gz LSASDEQKZNXSLD-MJGOQNOKSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937893 1023001105 /nfs/dbraw/zinc/00/11/05/1023001105.db2.gz LSASDEQKZNXSLD-MJGOQNOKSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937888 1023002185 /nfs/dbraw/zinc/00/21/85/1023002185.db2.gz LSASDEQKZNXSLD-HKUYNNGSSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)on2)cc1 ZINC000391937888 1023002192 /nfs/dbraw/zinc/00/21/92/1023002192.db2.gz LSASDEQKZNXSLD-HKUYNNGSSA-N 2 1 325.456 3.614 20 0 EHADMP CCCCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253612 1023370604 /nfs/dbraw/zinc/37/06/04/1023370604.db2.gz OMNSXUJZSUQCDM-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253612 1023370614 /nfs/dbraw/zinc/37/06/14/1023370614.db2.gz OMNSXUJZSUQCDM-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253612 1023370622 /nfs/dbraw/zinc/37/06/22/1023370622.db2.gz OMNSXUJZSUQCDM-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253612 1023370631 /nfs/dbraw/zinc/37/06/31/1023370631.db2.gz OMNSXUJZSUQCDM-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000092588005 1023455460 /nfs/dbraw/zinc/45/54/60/1023455460.db2.gz CBIDQMXQOQAPRL-IAGOWNOFSA-N 2 1 332.536 3.794 20 0 EHADMP COCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000449740106 1033139570 /nfs/dbraw/zinc/13/95/70/1033139570.db2.gz DYYXKASKSJBYSA-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002711 1024079028 /nfs/dbraw/zinc/07/90/28/1024079028.db2.gz VPEZFZOTAWUILW-DFNIBXOVSA-N 2 1 342.483 3.643 20 0 EHADMP CC[NH+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002711 1024079043 /nfs/dbraw/zinc/07/90/43/1024079043.db2.gz VPEZFZOTAWUILW-DFNIBXOVSA-N 2 1 342.483 3.643 20 0 EHADMP CC[NH+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002711 1024079060 /nfs/dbraw/zinc/07/90/60/1024079060.db2.gz VPEZFZOTAWUILW-DFNIBXOVSA-N 2 1 342.483 3.643 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)s1 ZINC000449775858 1033194050 /nfs/dbraw/zinc/19/40/50/1033194050.db2.gz NCCPRZUGAMOOBZ-LJQANCHMSA-N 2 1 329.513 3.706 20 0 EHADMP C[C@@H]1C[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005160 1024312649 /nfs/dbraw/zinc/31/26/49/1024312649.db2.gz HCFGTRQIFUEXDM-UDKICSLYSA-N 2 1 349.522 3.818 20 0 EHADMP C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414855012 1024437966 /nfs/dbraw/zinc/43/79/66/1024437966.db2.gz MQQCSGGLZOOWTN-QWRGUYRKSA-N 2 1 331.685 3.580 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000346156278 1024458409 /nfs/dbraw/zinc/45/84/09/1024458409.db2.gz ANGVUNIGMNCLJQ-UHFFFAOYSA-N 2 1 340.858 3.904 20 0 EHADMP Cc1cc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000282011705 1024477461 /nfs/dbraw/zinc/47/74/61/1024477461.db2.gz DODAXEXXYGGHOW-FUHWJXTLSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000282011705 1024477466 /nfs/dbraw/zinc/47/74/66/1024477466.db2.gz DODAXEXXYGGHOW-FUHWJXTLSA-N 2 1 340.515 3.811 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000282011705 1024477473 /nfs/dbraw/zinc/47/74/73/1024477473.db2.gz DODAXEXXYGGHOW-FUHWJXTLSA-N 2 1 340.515 3.811 20 0 EHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000346167509 1024479733 /nfs/dbraw/zinc/47/97/33/1024479733.db2.gz LBDWMJWIPIULNP-UHFFFAOYSA-N 2 1 339.549 3.589 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000346174827 1024489013 /nfs/dbraw/zinc/48/90/13/1024489013.db2.gz LSTXEKIWDWZXFR-KRWDZBQOSA-N 2 1 334.467 3.947 20 0 EHADMP OC[C@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000511016353 1024497210 /nfs/dbraw/zinc/49/72/10/1024497210.db2.gz WURRNJBPILJKKD-GEIYVISESA-N 2 1 342.527 3.713 20 0 EHADMP C[C@@H]1CC([NH2+]Cc2cccc3ccnn32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168029060 1024527965 /nfs/dbraw/zinc/52/79/65/1024527965.db2.gz SDWYUMDEQLMYJB-QZTJIDSGSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435058313 1024587351 /nfs/dbraw/zinc/58/73/51/1024587351.db2.gz MGCIYNFIUFAKEW-KRWDZBQOSA-N 2 1 345.531 3.852 20 0 EHADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000346284914 1024604063 /nfs/dbraw/zinc/60/40/63/1024604063.db2.gz YSPGCESGYIFAED-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000346284914 1024604067 /nfs/dbraw/zinc/60/40/67/1024604067.db2.gz YSPGCESGYIFAED-OAQYLSRUSA-N 2 1 340.515 3.568 20 0 EHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000514612547 1024604310 /nfs/dbraw/zinc/60/43/10/1024604310.db2.gz PZBZXAGLDPOTTK-GOSISDBHSA-N 2 1 333.451 3.575 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156837268 1024611914 /nfs/dbraw/zinc/61/19/14/1024611914.db2.gz HAIQWBZPQCODCI-INIZCTEOSA-N 2 1 334.504 3.625 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+]CCC[NH+]3CCCC3)cn2)cc1 ZINC000657295326 1024680860 /nfs/dbraw/zinc/68/08/60/1024680860.db2.gz ARWBSTMCHAPXHR-UHFFFAOYSA-N 2 1 329.419 3.589 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ncn3ccccc23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032314 1024692830 /nfs/dbraw/zinc/69/28/30/1024692830.db2.gz HOUYYOXGWZPXAU-OPVJXMOQSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H]1C[C@@H](NCc2[nH+]cn3ccccc23)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032314 1024692838 /nfs/dbraw/zinc/69/28/38/1024692838.db2.gz HOUYYOXGWZPXAU-OPVJXMOQSA-N 2 1 348.494 3.866 20 0 EHADMP C[C@@H]1C[C@@H](NCc2[nH+]cn3ccccc23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032314 1024692847 /nfs/dbraw/zinc/69/28/47/1024692847.db2.gz HOUYYOXGWZPXAU-OPVJXMOQSA-N 2 1 348.494 3.866 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(-n2ccnc2)cs1 ZINC000895682154 1024730888 /nfs/dbraw/zinc/73/08/88/1024730888.db2.gz BXRDUMJUJZMAHB-UHFFFAOYSA-N 2 1 332.517 3.632 20 0 EHADMP Fc1ccc(/C=C/C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435374143 1024840104 /nfs/dbraw/zinc/84/01/04/1024840104.db2.gz WLIJMVDIWCQMLS-KTBYTZPXSA-N 2 1 339.458 3.878 20 0 EHADMP Fc1ccc(/C=C/C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435374143 1024840125 /nfs/dbraw/zinc/84/01/25/1024840125.db2.gz WLIJMVDIWCQMLS-KTBYTZPXSA-N 2 1 339.458 3.878 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCCO1 ZINC000346562638 1024865806 /nfs/dbraw/zinc/86/58/06/1024865806.db2.gz QQVKCXCATXHMQK-JXFKEZNVSA-N 2 1 328.456 3.569 20 0 EHADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000435386290 1024867858 /nfs/dbraw/zinc/86/78/58/1024867858.db2.gz UBUQMFNVDYOGGL-PBHICJAKSA-N 2 1 345.512 3.590 20 0 EHADMP C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000435388628 1024873269 /nfs/dbraw/zinc/87/32/69/1024873269.db2.gz HYMUYAUGBDWYSJ-UHFFFAOYSA-N 2 1 340.311 3.908 20 0 EHADMP C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000435388628 1024873280 /nfs/dbraw/zinc/87/32/80/1024873280.db2.gz HYMUYAUGBDWYSJ-UHFFFAOYSA-N 2 1 340.311 3.908 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657307403 1024902454 /nfs/dbraw/zinc/90/24/54/1024902454.db2.gz FTBSTRKNDXDZBJ-UHFFFAOYSA-N 2 1 343.559 3.852 20 0 EHADMP Cc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435434794 1024904972 /nfs/dbraw/zinc/90/49/72/1024904972.db2.gz UUZHTFIPBNQCCO-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435434794 1024904978 /nfs/dbraw/zinc/90/49/78/1024904978.db2.gz UUZHTFIPBNQCCO-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000431327059 1024915813 /nfs/dbraw/zinc/91/58/13/1024915813.db2.gz GAQGQKHUBHIYAB-IBGZPJMESA-N 2 1 334.504 3.582 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000105442651 1024942652 /nfs/dbraw/zinc/94/26/52/1024942652.db2.gz LXFQKSMLVKTXET-LBPRGKRZSA-N 2 1 332.498 3.802 20 0 EHADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000428030292 1024949158 /nfs/dbraw/zinc/94/91/58/1024949158.db2.gz CVCIADRMVIUNKB-RXVVDRJESA-N 2 1 340.442 3.589 20 0 EHADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000428030292 1024949171 /nfs/dbraw/zinc/94/91/71/1024949171.db2.gz CVCIADRMVIUNKB-RXVVDRJESA-N 2 1 340.442 3.589 20 0 EHADMP OC[C@@H](CC1CCCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000511051751 1024951881 /nfs/dbraw/zinc/95/18/81/1024951881.db2.gz WURRNJBPILJKKD-YUMYIRISSA-N 2 1 342.527 3.713 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346694491 1025019438 /nfs/dbraw/zinc/01/94/38/1025019438.db2.gz UOQLVXXDHSEDIQ-CQSZACIVSA-N 2 1 336.373 3.572 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277417015 1025031641 /nfs/dbraw/zinc/03/16/41/1025031641.db2.gz ISRDBAVLXWCUCB-HXUWFJFHSA-N 2 1 339.483 3.673 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277417015 1025031657 /nfs/dbraw/zinc/03/16/57/1025031657.db2.gz ISRDBAVLXWCUCB-HXUWFJFHSA-N 2 1 339.483 3.673 20 0 EHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000474480716 1025035107 /nfs/dbraw/zinc/03/51/07/1025035107.db2.gz SHKDNVOLKPNUDL-AOIWGVFYSA-N 2 1 348.531 3.906 20 0 EHADMP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414871803 1025045975 /nfs/dbraw/zinc/04/59/75/1025045975.db2.gz DZXLSPINCAFQTE-WOJBJXKFSA-N 2 1 327.447 3.626 20 0 EHADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@@H]1CCC[NH2+]CC1 ZINC000435627522 1025048629 /nfs/dbraw/zinc/04/86/29/1025048629.db2.gz RTJQQSCXYPQBMG-GOSISDBHSA-N 2 1 334.467 3.575 20 0 EHADMP CC[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435629211 1025049893 /nfs/dbraw/zinc/04/98/93/1025049893.db2.gz XDTBCMVMZBYGQC-CQSZACIVSA-N 2 1 341.286 3.605 20 0 EHADMP CC[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435629211 1025049904 /nfs/dbraw/zinc/04/99/04/1025049904.db2.gz XDTBCMVMZBYGQC-CQSZACIVSA-N 2 1 341.286 3.605 20 0 EHADMP CCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000284161243 1025056398 /nfs/dbraw/zinc/05/63/98/1025056398.db2.gz DYMOBXHOXRMEMK-QGZVFWFLSA-N 2 1 334.504 3.627 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000157733115 1025101847 /nfs/dbraw/zinc/10/18/47/1025101847.db2.gz VVZRDEYNCDWDEM-VQIMIIECSA-N 2 1 343.515 3.778 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+]1C ZINC000157733115 1025101855 /nfs/dbraw/zinc/10/18/55/1025101855.db2.gz VVZRDEYNCDWDEM-VQIMIIECSA-N 2 1 343.515 3.778 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000435789432 1025138179 /nfs/dbraw/zinc/13/81/79/1025138179.db2.gz FBTHUDUVAGLNIL-QUCCMNQESA-N 2 1 338.499 3.812 20 0 EHADMP CCC(CC)[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351268 1025184807 /nfs/dbraw/zinc/18/48/07/1025184807.db2.gz FTYQLAXWCQIXFG-PMACEKPBSA-N 2 1 330.516 3.570 20 0 EHADMP CCC(CC)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515351268 1025184814 /nfs/dbraw/zinc/18/48/14/1025184814.db2.gz FTYQLAXWCQIXFG-PMACEKPBSA-N 2 1 330.516 3.570 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000574519562 1033267799 /nfs/dbraw/zinc/26/77/99/1033267799.db2.gz TXFIAQHZBACUMT-JOCHJYFZSA-N 2 1 349.478 3.514 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000574519562 1033267816 /nfs/dbraw/zinc/26/78/16/1033267816.db2.gz TXFIAQHZBACUMT-JOCHJYFZSA-N 2 1 349.478 3.514 20 0 EHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000346874741 1025268249 /nfs/dbraw/zinc/26/82/49/1025268249.db2.gz PSWCCVVGEIWHRM-IRXDYDNUSA-N 2 1 332.488 3.763 20 0 EHADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000639220694 1025290540 /nfs/dbraw/zinc/29/05/40/1025290540.db2.gz JOHUJTJTGRUXMY-CQSZACIVSA-N 2 1 342.936 3.604 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001168040368 1025316227 /nfs/dbraw/zinc/31/62/27/1025316227.db2.gz LUAOHKBFLPEEDG-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001168040368 1025316233 /nfs/dbraw/zinc/31/62/33/1025316233.db2.gz LUAOHKBFLPEEDG-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001168040368 1025316239 /nfs/dbraw/zinc/31/62/39/1025316239.db2.gz LUAOHKBFLPEEDG-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1CO ZINC001168040368 1025316241 /nfs/dbraw/zinc/31/62/41/1025316241.db2.gz LUAOHKBFLPEEDG-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040775 1025337699 /nfs/dbraw/zinc/33/76/99/1025337699.db2.gz PBFDFEZWPCCCGX-KNKQGSTJSA-N 2 1 344.543 3.913 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cc1 ZINC000346795638 1025359571 /nfs/dbraw/zinc/35/95/71/1025359571.db2.gz NTQWYAKDYGFQDK-YWZLYKJASA-N 2 1 333.435 3.835 20 0 EHADMP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000515588947 1025380625 /nfs/dbraw/zinc/38/06/25/1025380625.db2.gz MVNCQWQTVZJHDT-WNKDZCFJSA-N 2 1 330.607 3.808 20 0 EHADMP CC(C)[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000474728058 1025392353 /nfs/dbraw/zinc/39/23/53/1025392353.db2.gz SRXWPGKHUKSWAZ-HXUWFJFHSA-N 2 1 330.516 3.661 20 0 EHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000346992112 1025394533 /nfs/dbraw/zinc/39/45/33/1025394533.db2.gz ACQZPAQCUYOGOY-SJORKVTESA-N 2 1 326.488 3.555 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H](C)c1ccc(Cl)cc1 ZINC000474731159 1025397057 /nfs/dbraw/zinc/39/70/57/1025397057.db2.gz RCDQDULZIFYTPE-JTDSTZFVSA-N 2 1 338.923 3.659 20 0 EHADMP C[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001168041299 1025398924 /nfs/dbraw/zinc/39/89/24/1025398924.db2.gz RUJNQWYARNFVGF-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)O ZINC001168041299 1025398934 /nfs/dbraw/zinc/39/89/34/1025398934.db2.gz RUJNQWYARNFVGF-OEMYIYORSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000442773095 1025465968 /nfs/dbraw/zinc/46/59/68/1025465968.db2.gz WJNCSFRVSNLIGT-UONOGXRCSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754586 1025466802 /nfs/dbraw/zinc/46/68/02/1025466802.db2.gz BFMZQKLGGBMOLQ-DZGCQCFKSA-N 2 1 332.394 3.926 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000442754586 1025466811 /nfs/dbraw/zinc/46/68/11/1025466811.db2.gz BFMZQKLGGBMOLQ-DZGCQCFKSA-N 2 1 332.394 3.926 20 0 EHADMP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192637843 1025481733 /nfs/dbraw/zinc/48/17/33/1025481733.db2.gz OZXPSLYPYZQSPD-XLIONFOSSA-N 2 1 342.527 3.797 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CCOCC1 ZINC000436288232 1025531440 /nfs/dbraw/zinc/53/14/40/1025531440.db2.gz DWONSQHPSOFWMZ-LJQANCHMSA-N 2 1 330.516 3.791 20 0 EHADMP c1cc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000436275436 1025544400 /nfs/dbraw/zinc/54/44/00/1025544400.db2.gz PASFDWVJKSOBMU-UHFFFAOYSA-N 2 1 344.528 3.882 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000436292629 1025555899 /nfs/dbraw/zinc/55/58/99/1025555899.db2.gz BMJNQCRMKHYXDI-KRZXBLKESA-N 2 1 348.506 3.798 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880978 1025561146 /nfs/dbraw/zinc/56/11/46/1025561146.db2.gz YNFAONVZWKLLGH-OALUTQOASA-N 2 1 349.950 3.592 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314440 1025575972 /nfs/dbraw/zinc/57/59/72/1025575972.db2.gz NNSJCXDZWWSHGI-CSFVBSKPSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000436314440 1025575982 /nfs/dbraw/zinc/57/59/82/1025575982.db2.gz NNSJCXDZWWSHGI-CSFVBSKPSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC001168127867 1025629015 /nfs/dbraw/zinc/62/90/15/1025629015.db2.gz JKGAVDLEZGJTAR-AZUAARDMSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H](C[NH3+])C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414883496 1025664372 /nfs/dbraw/zinc/66/43/72/1025664372.db2.gz VDVZWJKYYSFIIC-JTQLQIEISA-N 2 1 329.391 3.513 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000892235305 1025701938 /nfs/dbraw/zinc/70/19/38/1025701938.db2.gz VLVYFOFYAJFNAG-KZNAEPCWSA-N 2 1 334.504 3.569 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000892235305 1025701953 /nfs/dbraw/zinc/70/19/53/1025701953.db2.gz VLVYFOFYAJFNAG-KZNAEPCWSA-N 2 1 334.504 3.569 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CCOCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015271 1025829223 /nfs/dbraw/zinc/82/92/23/1025829223.db2.gz QKVJUFPRLQNSMQ-RMFSNUHRSA-N 2 1 342.527 3.977 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040116 1025909007 /nfs/dbraw/zinc/90/90/07/1025909007.db2.gz ZEKHWYYODXNVRU-SIKLNZKXSA-N 2 1 338.495 3.910 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000467347527 1025994749 /nfs/dbraw/zinc/99/47/49/1025994749.db2.gz TUCBEUFJLGQHAY-VYJAJWGXSA-N 2 1 334.548 3.824 20 0 EHADMP CCCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168053302 1026036527 /nfs/dbraw/zinc/03/65/27/1026036527.db2.gz NEDYUHZVFUXYCB-VTYHHJSWSA-N 2 1 343.559 3.846 20 0 EHADMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121977679 1026065755 /nfs/dbraw/zinc/06/57/55/1026065755.db2.gz PIGOMVZBENFOGM-MRXNPFEDSA-N 2 1 336.495 3.626 20 0 EHADMP CCCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000516215077 1026145139 /nfs/dbraw/zinc/14/51/39/1026145139.db2.gz DVWSHALSFVETRP-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000516215077 1026145148 /nfs/dbraw/zinc/14/51/48/1026145148.db2.gz DVWSHALSFVETRP-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000516215077 1026145155 /nfs/dbraw/zinc/14/51/55/1026145155.db2.gz DVWSHALSFVETRP-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000516215077 1026145162 /nfs/dbraw/zinc/14/51/62/1026145162.db2.gz DVWSHALSFVETRP-FUHWJXTLSA-N 2 1 334.504 3.646 20 0 EHADMP COCc1csc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657428871 1026251282 /nfs/dbraw/zinc/25/12/82/1026251282.db2.gz CGMURTXXVOTOBH-VQIMIIECSA-N 2 1 344.524 3.895 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000122251150 1026335092 /nfs/dbraw/zinc/33/50/92/1026335092.db2.gz JGJDXIIMWADLMG-YYWHXJBOSA-N 2 1 348.531 3.873 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000530902144 1026389246 /nfs/dbraw/zinc/38/92/46/1026389246.db2.gz LEEDQTBLMJXGHR-GOEBONIOSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000530902144 1026389258 /nfs/dbraw/zinc/38/92/58/1026389258.db2.gz LEEDQTBLMJXGHR-GOEBONIOSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000530902144 1026389271 /nfs/dbraw/zinc/38/92/71/1026389271.db2.gz LEEDQTBLMJXGHR-GOEBONIOSA-N 2 1 344.421 3.889 20 0 EHADMP CC(C)[C@@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168061105 1026462474 /nfs/dbraw/zinc/46/24/74/1026462474.db2.gz ZAHVUXIUOHQMOL-YHELAOLJSA-N 2 1 330.516 3.785 20 0 EHADMP Clc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ncccc12 ZINC000125241278 1026525292 /nfs/dbraw/zinc/52/52/92/1026525292.db2.gz JWXRNSTWMVSLMB-UHFFFAOYSA-N 2 1 338.842 3.605 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000159298256 1026604530 /nfs/dbraw/zinc/60/45/30/1026604530.db2.gz OARHHTKAVLZAES-CYBMUJFWSA-N 2 1 330.501 3.648 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140073 1026620697 /nfs/dbraw/zinc/62/06/97/1026620697.db2.gz HOPNEPUYLCIBPU-OCCSQVGLSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140073 1026620705 /nfs/dbraw/zinc/62/07/05/1026620705.db2.gz HOPNEPUYLCIBPU-OCCSQVGLSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140073 1026620710 /nfs/dbraw/zinc/62/07/10/1026620710.db2.gz HOPNEPUYLCIBPU-OCCSQVGLSA-N 2 1 343.284 3.893 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140073 1026620717 /nfs/dbraw/zinc/62/07/17/1026620717.db2.gz HOPNEPUYLCIBPU-OCCSQVGLSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140493 1026623009 /nfs/dbraw/zinc/62/30/09/1026623009.db2.gz AMKGGYHPRZIWBQ-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140493 1026623014 /nfs/dbraw/zinc/62/30/14/1026623014.db2.gz AMKGGYHPRZIWBQ-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140493 1026623019 /nfs/dbraw/zinc/62/30/19/1026623019.db2.gz AMKGGYHPRZIWBQ-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC000531140493 1026623027 /nfs/dbraw/zinc/62/30/27/1026623027.db2.gz AMKGGYHPRZIWBQ-GDBMZVCRSA-N 2 1 344.421 3.932 20 0 EHADMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933954 1026646559 /nfs/dbraw/zinc/64/65/59/1026646559.db2.gz GOQNLPDBIPEWQA-LJQANCHMSA-N 2 1 346.478 3.688 20 0 EHADMP CC(C)[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301256522 1026740485 /nfs/dbraw/zinc/74/04/85/1026740485.db2.gz AFJQGVDUTFPFIR-UHFFFAOYSA-N 2 1 334.261 3.528 20 0 EHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531347352 1026834236 /nfs/dbraw/zinc/83/42/36/1026834236.db2.gz FETFSVJXYOVHQJ-UHFFFAOYSA-N 2 1 346.515 3.840 20 0 EHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531347352 1026834246 /nfs/dbraw/zinc/83/42/46/1026834246.db2.gz FETFSVJXYOVHQJ-UHFFFAOYSA-N 2 1 346.515 3.840 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000301654355 1026890594 /nfs/dbraw/zinc/89/05/94/1026890594.db2.gz HJMIQMMGERNWNF-INIZCTEOSA-N 2 1 327.472 3.720 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000301654355 1026890609 /nfs/dbraw/zinc/89/06/09/1026890609.db2.gz HJMIQMMGERNWNF-INIZCTEOSA-N 2 1 327.472 3.720 20 0 EHADMP CC(C)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nccs1 ZINC000116379961 1026911951 /nfs/dbraw/zinc/91/19/51/1026911951.db2.gz UNHWEEBWRQJFEZ-UHFFFAOYSA-N 2 1 345.512 3.643 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N(C)C)cc[nH+]1 ZINC000301748163 1026924480 /nfs/dbraw/zinc/92/44/80/1026924480.db2.gz ZVFHLLNRDPKLRN-MRXNPFEDSA-N 2 1 339.487 3.529 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N(C)C)cc[nH+]1 ZINC000301748163 1026924486 /nfs/dbraw/zinc/92/44/86/1026924486.db2.gz ZVFHLLNRDPKLRN-MRXNPFEDSA-N 2 1 339.487 3.529 20 0 EHADMP CCCc1cc(NC[C@H](C)[NH+]2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000301815230 1026949156 /nfs/dbraw/zinc/94/91/56/1026949156.db2.gz ZNPLHJYZPKFEAR-KRWDZBQOSA-N 2 1 340.515 3.625 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000657526635 1026973835 /nfs/dbraw/zinc/97/38/35/1026973835.db2.gz JUXFJZQLEVBSKV-WOJBJXKFSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526635 1026973844 /nfs/dbraw/zinc/97/38/44/1026973844.db2.gz JUXFJZQLEVBSKV-WOJBJXKFSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657526635 1026973851 /nfs/dbraw/zinc/97/38/51/1026973851.db2.gz JUXFJZQLEVBSKV-WOJBJXKFSA-N 2 1 341.543 3.646 20 0 EHADMP CCO[C@@H](C)c1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000123287065 1027086298 /nfs/dbraw/zinc/08/62/98/1027086298.db2.gz PYOGUKKTVWKJCP-HNNXBMFYSA-N 2 1 339.549 3.794 20 0 EHADMP Cc1cc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000302213374 1027092514 /nfs/dbraw/zinc/09/25/14/1027092514.db2.gz FNDDGEBJZUCMGJ-HNNXBMFYSA-N 2 1 338.377 3.827 20 0 EHADMP Cc1ccc2[nH+]ccc(NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221892 1027094269 /nfs/dbraw/zinc/09/42/69/1027094269.db2.gz MQSHEFWQTGUFAQ-RBUKOAKNSA-N 2 1 347.462 3.591 20 0 EHADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272757826 1027098435 /nfs/dbraw/zinc/09/84/35/1027098435.db2.gz PJPFPWJKEZMKAX-APWZRJJASA-N 2 1 344.524 3.864 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632489 1027104481 /nfs/dbraw/zinc/10/44/81/1027104481.db2.gz VRTFRJTXIUVSCG-HOTGVXAUSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632489 1027104489 /nfs/dbraw/zinc/10/44/89/1027104489.db2.gz VRTFRJTXIUVSCG-HOTGVXAUSA-N 2 1 333.545 3.686 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632489 1027104497 /nfs/dbraw/zinc/10/44/97/1027104497.db2.gz VRTFRJTXIUVSCG-HOTGVXAUSA-N 2 1 333.545 3.686 20 0 EHADMP CC1CC[NH+]([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000531701137 1027223182 /nfs/dbraw/zinc/22/31/82/1027223182.db2.gz XXNBMYVMMISAII-UGESXGAOSA-N 2 1 343.559 3.778 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453064603 1027276998 /nfs/dbraw/zinc/27/69/98/1027276998.db2.gz UAVIGTNYURXMEQ-AEFFLSMTSA-N 2 1 335.561 3.694 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453064604 1027278099 /nfs/dbraw/zinc/27/80/99/1027278099.db2.gz UAVIGTNYURXMEQ-FUHWJXTLSA-N 2 1 335.561 3.694 20 0 EHADMP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657563337 1027300552 /nfs/dbraw/zinc/30/05/52/1027300552.db2.gz MHTHYYSJOANYBZ-SFHVURJKSA-N 2 1 349.950 3.767 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657563337 1027300568 /nfs/dbraw/zinc/30/05/68/1027300568.db2.gz MHTHYYSJOANYBZ-SFHVURJKSA-N 2 1 349.950 3.767 20 0 EHADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453096561 1027361241 /nfs/dbraw/zinc/36/12/41/1027361241.db2.gz UBDXIZZGGXZVQT-YPAWHYETSA-N 2 1 341.543 3.504 20 0 EHADMP Cc1cc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000453131774 1027434777 /nfs/dbraw/zinc/43/47/77/1027434777.db2.gz TUOBLLBJRUVHEA-PWIZWCRZSA-N 2 1 344.524 3.590 20 0 EHADMP Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000453131774 1027434794 /nfs/dbraw/zinc/43/47/94/1027434794.db2.gz TUOBLLBJRUVHEA-PWIZWCRZSA-N 2 1 344.524 3.590 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)C3CCC3)CC2)oc1C ZINC000453132118 1027435824 /nfs/dbraw/zinc/43/58/24/1027435824.db2.gz XMBRECCNBSMCJV-HXUWFJFHSA-N 2 1 331.504 3.672 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303843 1027452146 /nfs/dbraw/zinc/45/21/46/1027452146.db2.gz NQYPUNXCZHWGJA-FXAWDEMLSA-N 2 1 340.467 3.583 20 0 EHADMP Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000420320431 1027467223 /nfs/dbraw/zinc/46/72/23/1027467223.db2.gz QFJOAPDRSLXZBX-XLIONFOSSA-N 2 1 338.499 3.912 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420319302 1027467658 /nfs/dbraw/zinc/46/76/58/1027467658.db2.gz PANPBBOWRSBRSH-MSOLQXFVSA-N 2 1 340.515 3.796 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337706 1027472785 /nfs/dbraw/zinc/47/27/85/1027472785.db2.gz WYKKWRVEXDWZBJ-VQIMIIECSA-N 2 1 330.516 3.732 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324180 1027478138 /nfs/dbraw/zinc/47/81/38/1027478138.db2.gz GXHYOWOZEYJKPE-CHWSQXEVSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324180 1027478149 /nfs/dbraw/zinc/47/81/49/1027478149.db2.gz GXHYOWOZEYJKPE-CHWSQXEVSA-N 2 1 343.298 3.742 20 0 EHADMP CCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420369357 1027494719 /nfs/dbraw/zinc/49/47/19/1027494719.db2.gz ISBSCDUXJXMPLX-KRWDZBQOSA-N 2 1 331.504 3.505 20 0 EHADMP COc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CCCCC2)cc1OC ZINC000420382175 1027502469 /nfs/dbraw/zinc/50/24/69/1027502469.db2.gz YPGBTOFDWVHPIE-QGZVFWFLSA-N 2 1 346.515 3.838 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000420389494 1027508016 /nfs/dbraw/zinc/50/80/16/1027508016.db2.gz MDXISQSHVXSKKC-UHFFFAOYSA-N 2 1 348.903 3.758 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000420389494 1027508037 /nfs/dbraw/zinc/50/80/37/1027508037.db2.gz MDXISQSHVXSKKC-UHFFFAOYSA-N 2 1 348.903 3.758 20 0 EHADMP CCCCCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000414652205 1027708114 /nfs/dbraw/zinc/70/81/14/1027708114.db2.gz GNUQQBWPDHJDFR-GOSISDBHSA-N 2 1 334.504 3.696 20 0 EHADMP CCCCCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000414652205 1027708128 /nfs/dbraw/zinc/70/81/28/1027708128.db2.gz GNUQQBWPDHJDFR-GOSISDBHSA-N 2 1 334.504 3.696 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665808 1027773055 /nfs/dbraw/zinc/77/30/55/1027773055.db2.gz VYZDOIKJWXDPCD-QAPCUYQASA-N 2 1 328.431 3.574 20 0 EHADMP C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897751 1027835641 /nfs/dbraw/zinc/83/56/41/1027835641.db2.gz DDXGEZOKPLIMNC-QGZVFWFLSA-N 2 1 342.458 3.851 20 0 EHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897751 1027835662 /nfs/dbraw/zinc/83/56/62/1027835662.db2.gz DDXGEZOKPLIMNC-QGZVFWFLSA-N 2 1 342.458 3.851 20 0 EHADMP Fc1ccc(COc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)cc1 ZINC000422642317 1027838482 /nfs/dbraw/zinc/83/84/82/1027838482.db2.gz ZEEJTZOHYVLHDC-UHFFFAOYSA-N 2 1 340.442 3.733 20 0 EHADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000359892644 1027866372 /nfs/dbraw/zinc/86/63/72/1027866372.db2.gz AAZNEBFHQKRTJI-IEBWSBKVSA-N 2 1 332.463 3.712 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000339064942 1027892253 /nfs/dbraw/zinc/89/22/53/1027892253.db2.gz AMJLPIAQJZGUGU-QIJUGHKUSA-N 3 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064942 1027892272 /nfs/dbraw/zinc/89/22/72/1027892272.db2.gz AMJLPIAQJZGUGU-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064942 1027892291 /nfs/dbraw/zinc/89/22/91/1027892291.db2.gz AMJLPIAQJZGUGU-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000339064942 1027892309 /nfs/dbraw/zinc/89/23/09/1027892309.db2.gz AMJLPIAQJZGUGU-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000339064942 1027892327 /nfs/dbraw/zinc/89/23/27/1027892327.db2.gz AMJLPIAQJZGUGU-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064942 1027892342 /nfs/dbraw/zinc/89/23/42/1027892342.db2.gz AMJLPIAQJZGUGU-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000339064942 1027892359 /nfs/dbraw/zinc/89/23/59/1027892359.db2.gz AMJLPIAQJZGUGU-QIJUGHKUSA-N 2 1 341.543 3.635 20 0 EHADMP Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000339067988 1027894844 /nfs/dbraw/zinc/89/48/44/1027894844.db2.gz OVAXKHMCTRFTOA-SJORKVTESA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000339067988 1027894867 /nfs/dbraw/zinc/89/48/67/1027894867.db2.gz OVAXKHMCTRFTOA-SJORKVTESA-N 2 1 341.430 3.729 20 0 EHADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000339067988 1027894876 /nfs/dbraw/zinc/89/48/76/1027894876.db2.gz OVAXKHMCTRFTOA-SJORKVTESA-N 2 1 341.430 3.729 20 0 EHADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727929 1027897630 /nfs/dbraw/zinc/89/76/30/1027897630.db2.gz DUJGASHXUDCBLC-OKYOBFRVSA-N 2 1 347.572 3.785 20 0 EHADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736317 1027905177 /nfs/dbraw/zinc/90/51/77/1027905177.db2.gz VXBORDVOVFSWCB-MTFMMBMASA-N 2 1 329.532 3.626 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000422744890 1027911862 /nfs/dbraw/zinc/91/18/62/1027911862.db2.gz WSIKXWVOEDSSNQ-OAHLLOKOSA-N 2 1 325.456 3.665 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422747571 1027913130 /nfs/dbraw/zinc/91/31/30/1027913130.db2.gz QMJKJCRZBMSFAJ-CYFNAFFESA-N 2 1 344.405 3.871 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422784563 1027939566 /nfs/dbraw/zinc/93/95/66/1027939566.db2.gz IUCIMEIVQHPBCH-FDFHNCONSA-N 2 1 341.543 3.683 20 0 EHADMP COc1ccc(CC[N@@H+](CC(C)C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414691278 1027940056 /nfs/dbraw/zinc/94/00/56/1027940056.db2.gz BEFPRIUOGISEJU-IEBWSBKVSA-N 2 1 348.531 3.592 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)c1c[nH+]ccc1N ZINC000422823802 1027969129 /nfs/dbraw/zinc/96/91/29/1027969129.db2.gz FEUPHCBRSASJFG-APPDUMDISA-N 2 1 333.382 3.824 20 0 EHADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422881380 1028013788 /nfs/dbraw/zinc/01/37/88/1028013788.db2.gz QMGGMDKSQCFJLE-UXHICEINSA-N 2 1 349.950 3.802 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422902828 1028036485 /nfs/dbraw/zinc/03/64/85/1028036485.db2.gz NSYZQIIKBZBCCV-QZTJIDSGSA-N 2 1 329.419 3.763 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422914255 1028045411 /nfs/dbraw/zinc/04/54/11/1028045411.db2.gz SMCMGYGLALMQHB-QMCVQRASSA-N 2 1 342.512 3.776 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422914256 1028046838 /nfs/dbraw/zinc/04/68/38/1028046838.db2.gz SMCMGYGLALMQHB-QSPRXWTASA-N 2 1 342.512 3.776 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913320 1028046920 /nfs/dbraw/zinc/04/69/20/1028046920.db2.gz YFYGSAIYZOJIPK-JXFKEZNVSA-N 2 1 344.547 3.544 20 0 EHADMP Brc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422941357 1028067147 /nfs/dbraw/zinc/06/71/47/1028067147.db2.gz HVKBMPAPRWGJOS-SFHVURJKSA-N 2 1 345.284 3.880 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[NH2+]1 ZINC000422963552 1028075090 /nfs/dbraw/zinc/07/50/90/1028075090.db2.gz GGOBNUPGPPBRII-VGOFRKELSA-N 3 1 337.511 3.645 20 0 EHADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000502288106 1028086731 /nfs/dbraw/zinc/08/67/31/1028086731.db2.gz PFJCIVHSJUZVSD-ROUUACIJSA-N 2 1 348.531 3.653 20 0 EHADMP C[C@H]1C[C@@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)CC[NH2+]1 ZINC000414708712 1028110612 /nfs/dbraw/zinc/11/06/12/1028110612.db2.gz PAZBHUHANSPIAB-RYUDHWBXSA-N 2 1 343.334 3.863 20 0 EHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000423046003 1028151463 /nfs/dbraw/zinc/15/14/63/1028151463.db2.gz DSLLLLWNSJBDIO-OFQRWUPVSA-N 2 1 329.513 3.631 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423050463 1028164353 /nfs/dbraw/zinc/16/43/53/1028164353.db2.gz LKABRGYIICWDAP-VNQPRFMTSA-N 2 1 346.906 3.627 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423097869 1028179971 /nfs/dbraw/zinc/17/99/71/1028179971.db2.gz RISHPCXEMFMANG-IPYPFGDCSA-N 2 1 340.309 3.806 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)c1c[nH+]ccc1N ZINC000423166854 1028238978 /nfs/dbraw/zinc/23/89/78/1028238978.db2.gz ZOPIEPWUSPZZND-SNVBAGLBSA-N 2 1 326.227 3.531 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181920 1028252579 /nfs/dbraw/zinc/25/25/79/1028252579.db2.gz DHWLYCDJDNBNCP-CQSZACIVSA-N 2 1 346.544 3.975 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)ccc1SC ZINC000423193300 1028261760 /nfs/dbraw/zinc/26/17/60/1028261760.db2.gz WZIRUVJIQAVHCN-HNNXBMFYSA-N 2 1 345.512 3.643 20 0 EHADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423204082 1028272513 /nfs/dbraw/zinc/27/25/13/1028272513.db2.gz UHQNTQYPJQZUKG-VIFPVBQESA-N 2 1 328.300 3.984 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000423220241 1028287764 /nfs/dbraw/zinc/28/77/64/1028287764.db2.gz VDNJAGCYHJJOTI-WOPDTQHZSA-N 2 1 329.257 3.627 20 0 EHADMP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423221429 1028288431 /nfs/dbraw/zinc/28/84/31/1028288431.db2.gz ZVQKSPVIDLBNJA-BDJLRTHQSA-N 2 1 341.268 3.629 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000423254105 1028314551 /nfs/dbraw/zinc/31/45/51/1028314551.db2.gz XDGVKGYZYZEGGJ-WBADGQHESA-N 2 1 349.522 3.719 20 0 EHADMP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522813 1028327463 /nfs/dbraw/zinc/32/74/63/1028327463.db2.gz BOEAUXWLHPGEEI-CYBMUJFWSA-N 2 1 334.489 3.523 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)cc1 ZINC000421368296 1028327402 /nfs/dbraw/zinc/32/74/02/1028327402.db2.gz BULXYPARLOFNAY-GOSISDBHSA-N 2 1 330.541 3.774 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ncc(Br)s1 ZINC000423293135 1028332246 /nfs/dbraw/zinc/33/22/46/1028332246.db2.gz PWAWBUQVKSUAEB-VHSXEESVSA-N 2 1 340.290 3.776 20 0 EHADMP CSc1cccc([C@@H]([NH2+]C[C@@H](C)C[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423307365 1028343251 /nfs/dbraw/zinc/34/32/51/1028343251.db2.gz NAWXOEHAKKUXEV-KPZWWZAWSA-N 2 1 336.451 3.961 20 0 EHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)F)CC2)cc1F ZINC000423376308 1028397055 /nfs/dbraw/zinc/39/70/55/1028397055.db2.gz UVVXWKXQSDJCSX-WSWZPAPSSA-N 2 1 344.396 3.824 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423387404 1028402969 /nfs/dbraw/zinc/40/29/69/1028402969.db2.gz SCWCOVIGKDNQBW-KEYYUXOJSA-N 2 1 329.513 3.833 20 0 EHADMP CCCCCCOc1cccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729683379 1028418711 /nfs/dbraw/zinc/41/87/11/1028418711.db2.gz MCGDNOMZTSELEX-CTNGQTDRSA-N 2 1 346.515 3.599 20 0 EHADMP CCCCCCOc1cccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729683379 1028418718 /nfs/dbraw/zinc/41/87/18/1028418718.db2.gz MCGDNOMZTSELEX-CTNGQTDRSA-N 2 1 346.515 3.599 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000729681375 1028435494 /nfs/dbraw/zinc/43/54/94/1028435494.db2.gz XIVZMGVAOHDHTC-QGZVFWFLSA-N 2 1 326.488 3.608 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccccc1Br ZINC000423478158 1028462149 /nfs/dbraw/zinc/46/21/49/1028462149.db2.gz MURUTOGVXTYFGY-BXUZGUMPSA-N 2 1 347.247 3.735 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[NH2+]C2CC2)cnn1-c1cc(C)ccc1C ZINC000423529960 1028484162 /nfs/dbraw/zinc/48/41/62/1028484162.db2.gz QTEGUYAYLVASBZ-INIZCTEOSA-N 2 1 326.488 3.590 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534942 1028487555 /nfs/dbraw/zinc/48/75/55/1028487555.db2.gz WUALARPBEIVFAL-HNAYVOBHSA-N 2 1 346.519 3.728 20 0 EHADMP CC(C)c1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423522323 1028495050 /nfs/dbraw/zinc/49/50/50/1028495050.db2.gz UTWAJAAKPZLNMF-MDMXATFFSA-N 2 1 329.532 3.677 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000247003896 1028728524 /nfs/dbraw/zinc/72/85/24/1028728524.db2.gz KVLYDCGAFYQYPW-DLBZAZTESA-N 2 1 326.488 3.503 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000532731985 1028761487 /nfs/dbraw/zinc/76/14/87/1028761487.db2.gz KMHVFCPJMBLQKH-CZUORRHYSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000532731985 1028761503 /nfs/dbraw/zinc/76/15/03/1028761503.db2.gz KMHVFCPJMBLQKH-CZUORRHYSA-N 2 1 330.394 3.747 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000924938584 1028771992 /nfs/dbraw/zinc/77/19/92/1028771992.db2.gz LHZDEQCAGRRXPD-UMQXSMKFSA-N 2 1 330.541 3.567 20 0 EHADMP COC1([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000421819839 1028805242 /nfs/dbraw/zinc/80/52/42/1028805242.db2.gz JHJGWLVZFBUWDT-SFHVURJKSA-N 2 1 330.516 3.631 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245566314 1028852809 /nfs/dbraw/zinc/85/28/09/1028852809.db2.gz QKQHWURJQSVHRV-HOTGVXAUSA-N 2 1 347.528 3.523 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000421863353 1028858161 /nfs/dbraw/zinc/85/81/61/1028858161.db2.gz WKLMSEDJYMLSNM-YMQHIKHWSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)c3cccnc13)CC[NH2+]CC2 ZINC000424285949 1028928487 /nfs/dbraw/zinc/92/84/87/1028928487.db2.gz GLSJQXYSECRJHL-CQSZACIVSA-N 2 1 329.875 3.852 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000513762649 1028961142 /nfs/dbraw/zinc/96/11/42/1028961142.db2.gz RUHHKOQSXYNVKG-FKBYEOEOSA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000513762649 1028961158 /nfs/dbraw/zinc/96/11/58/1028961158.db2.gz RUHHKOQSXYNVKG-FKBYEOEOSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000513762649 1028961172 /nfs/dbraw/zinc/96/11/72/1028961172.db2.gz RUHHKOQSXYNVKG-FKBYEOEOSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000513762649 1028961192 /nfs/dbraw/zinc/96/11/92/1028961192.db2.gz RUHHKOQSXYNVKG-FKBYEOEOSA-N 2 1 341.543 3.635 20 0 EHADMP c1csc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]2CCCO2)c1 ZINC000583147866 1028987509 /nfs/dbraw/zinc/98/75/09/1028987509.db2.gz RHRCCAGNGRREIB-IBGZPJMESA-N 2 1 342.508 3.575 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000503051154 1028997357 /nfs/dbraw/zinc/99/73/57/1028997357.db2.gz HGCZQURCSZMQKF-OAHLLOKOSA-N 2 1 325.294 3.758 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000504900032 1029026546 /nfs/dbraw/zinc/02/65/46/1029026546.db2.gz QCJGWLLOGFEOSW-INIZCTEOSA-N 2 1 342.458 3.933 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccc1F ZINC000504900032 1029026550 /nfs/dbraw/zinc/02/65/50/1029026550.db2.gz QCJGWLLOGFEOSW-INIZCTEOSA-N 2 1 342.458 3.933 20 0 EHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076435 1029030710 /nfs/dbraw/zinc/03/07/10/1029030710.db2.gz UNZWSAIRAGGUNH-UKRRQHHQSA-N 2 1 343.298 3.931 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076435 1029030726 /nfs/dbraw/zinc/03/07/26/1029030726.db2.gz UNZWSAIRAGGUNH-UKRRQHHQSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076435 1029030740 /nfs/dbraw/zinc/03/07/40/1029030740.db2.gz UNZWSAIRAGGUNH-UKRRQHHQSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076435 1029030759 /nfs/dbraw/zinc/03/07/59/1029030759.db2.gz UNZWSAIRAGGUNH-UKRRQHHQSA-N 2 1 343.298 3.931 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076436 1029031266 /nfs/dbraw/zinc/03/12/66/1029031266.db2.gz UNZWSAIRAGGUNH-ZFWWWQNUSA-N 2 1 343.298 3.931 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076436 1029031284 /nfs/dbraw/zinc/03/12/84/1029031284.db2.gz UNZWSAIRAGGUNH-ZFWWWQNUSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076436 1029031296 /nfs/dbraw/zinc/03/12/96/1029031296.db2.gz UNZWSAIRAGGUNH-ZFWWWQNUSA-N 2 1 343.298 3.931 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503076436 1029031315 /nfs/dbraw/zinc/03/13/15/1029031315.db2.gz UNZWSAIRAGGUNH-ZFWWWQNUSA-N 2 1 343.298 3.931 20 0 EHADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414784920 1029038410 /nfs/dbraw/zinc/03/84/10/1029038410.db2.gz RVCIHCUQVATWQC-CVEARBPZSA-N 2 1 344.890 3.552 20 0 EHADMP c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790342 1029085080 /nfs/dbraw/zinc/08/50/80/1029085080.db2.gz ZQAWSFFIPFGRDR-IAGOWNOFSA-N 2 1 327.497 3.632 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414809893 1029266152 /nfs/dbraw/zinc/26/61/52/1029266152.db2.gz HGCLDZDWQBMKKW-YPMHNXCESA-N 2 1 331.273 3.626 20 0 EHADMP COc1ccc(Br)c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414808898 1029278811 /nfs/dbraw/zinc/27/88/11/1029278811.db2.gz LHYGLFANJAPEOW-LBPRGKRZSA-N 2 1 349.272 3.767 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000290053042 1029282087 /nfs/dbraw/zinc/28/20/87/1029282087.db2.gz FEKWFOYXJAEURB-VSKRKVRLSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053042 1029282104 /nfs/dbraw/zinc/28/21/04/1029282104.db2.gz FEKWFOYXJAEURB-VSKRKVRLSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053042 1029282121 /nfs/dbraw/zinc/28/21/21/1029282121.db2.gz FEKWFOYXJAEURB-VSKRKVRLSA-N 2 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000290053042 1029282132 /nfs/dbraw/zinc/28/21/32/1029282132.db2.gz FEKWFOYXJAEURB-VSKRKVRLSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[NH+]2CCCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000290053042 1029282148 /nfs/dbraw/zinc/28/21/48/1029282148.db2.gz FEKWFOYXJAEURB-VSKRKVRLSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053042 1029282157 /nfs/dbraw/zinc/28/21/57/1029282157.db2.gz FEKWFOYXJAEURB-VSKRKVRLSA-N 3 1 341.543 3.505 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000290053042 1029282174 /nfs/dbraw/zinc/28/21/74/1029282174.db2.gz FEKWFOYXJAEURB-VSKRKVRLSA-N 3 1 341.543 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000124964726 1029383650 /nfs/dbraw/zinc/38/36/50/1029383650.db2.gz OQAJUZWFOZOJAA-LMFCIFFHSA-N 2 1 325.456 3.789 20 0 EHADMP C[C@H](C(=O)Nc1ccc(CN(C)C)c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357961100 1029441994 /nfs/dbraw/zinc/44/19/94/1029441994.db2.gz FLWNABAUZDWIND-HZSPNIEDSA-N 2 1 337.895 3.601 20 0 EHADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357961100 1029442014 /nfs/dbraw/zinc/44/20/14/1029442014.db2.gz FLWNABAUZDWIND-HZSPNIEDSA-N 2 1 337.895 3.601 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCCO1 ZINC000272401574 1029449003 /nfs/dbraw/zinc/44/90/03/1029449003.db2.gz JGRNAJQJPPAKJH-JBINPLMMSA-N 2 1 328.500 3.729 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000278170811 1029473395 /nfs/dbraw/zinc/47/33/95/1029473395.db2.gz CIOOMXAPMBJILY-HNNXBMFYSA-N 2 1 344.455 3.759 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000272628372 1029541315 /nfs/dbraw/zinc/54/13/15/1029541315.db2.gz AIVLSSOEWDKFPZ-BDTNDASRSA-N 2 1 335.495 3.514 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272649754 1029549306 /nfs/dbraw/zinc/54/93/06/1029549306.db2.gz JZUCMXCNWLUZDH-ONTIZHBOSA-N 3 1 345.575 3.997 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272649754 1029549316 /nfs/dbraw/zinc/54/93/16/1029549316.db2.gz JZUCMXCNWLUZDH-ONTIZHBOSA-N 2 1 345.575 3.997 20 0 EHADMP Clc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000262240560 1029575823 /nfs/dbraw/zinc/57/58/23/1029575823.db2.gz PCXIFVFLAHZDHS-GOSISDBHSA-N 2 1 344.890 3.867 20 0 EHADMP CC[NH+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463117101 1029640172 /nfs/dbraw/zinc/64/01/72/1029640172.db2.gz SWIWWTZSHRNJRC-MRXNPFEDSA-N 2 1 337.939 3.624 20 0 EHADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001279614842 1029645308 /nfs/dbraw/zinc/64/53/08/1029645308.db2.gz GIXVAHYVBUMQDQ-LJQANCHMSA-N 2 1 335.580 3.600 20 0 EHADMP CCCC[C@@H](CC)CN1CC2(C1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001279614842 1029645315 /nfs/dbraw/zinc/64/53/15/1029645315.db2.gz GIXVAHYVBUMQDQ-LJQANCHMSA-N 2 1 335.580 3.600 20 0 EHADMP CCCC[C@@H](CC)CN1CC2(C1)CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001279614842 1029645320 /nfs/dbraw/zinc/64/53/20/1029645320.db2.gz GIXVAHYVBUMQDQ-LJQANCHMSA-N 2 1 335.580 3.600 20 0 EHADMP CC(C)[NH+](CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709007 1029776651 /nfs/dbraw/zinc/77/66/51/1029776651.db2.gz FRKBMEPZVSOEPP-UNMCSNQZSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000508709007 1029776655 /nfs/dbraw/zinc/77/66/55/1029776655.db2.gz FRKBMEPZVSOEPP-UNMCSNQZSA-N 3 1 345.575 3.996 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000508709007 1029776660 /nfs/dbraw/zinc/77/66/60/1029776660.db2.gz FRKBMEPZVSOEPP-UNMCSNQZSA-N 3 1 345.575 3.996 20 0 EHADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446744717 1029778194 /nfs/dbraw/zinc/77/81/94/1029778194.db2.gz OGZAJSMZFJKPQR-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446744717 1029778200 /nfs/dbraw/zinc/77/82/00/1029778200.db2.gz OGZAJSMZFJKPQR-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446744717 1029778209 /nfs/dbraw/zinc/77/82/09/1029778209.db2.gz OGZAJSMZFJKPQR-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446823684 1029809022 /nfs/dbraw/zinc/80/90/22/1029809022.db2.gz OPWRMPMGCAHMPV-PXNSSMCTSA-N 2 1 329.488 3.659 20 0 EHADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338216 1029814673 /nfs/dbraw/zinc/81/46/73/1029814673.db2.gz ORJMJZTUWIGRGI-PGRDOPGGSA-N 2 1 338.495 3.976 20 0 EHADMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000080338671 1029815361 /nfs/dbraw/zinc/81/53/61/1029815361.db2.gz NQCGNVNOFSEDTP-QFBILLFUSA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000080338671 1029815374 /nfs/dbraw/zinc/81/53/74/1029815374.db2.gz NQCGNVNOFSEDTP-QFBILLFUSA-N 2 1 342.458 3.977 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000080338671 1029815380 /nfs/dbraw/zinc/81/53/80/1029815380.db2.gz NQCGNVNOFSEDTP-QFBILLFUSA-N 2 1 342.458 3.977 20 0 EHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000453264490 1029997133 /nfs/dbraw/zinc/99/71/33/1029997133.db2.gz VPKKGMTUMOBUJI-FHWLQOOXSA-N 2 1 332.536 3.546 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481823822 1030016437 /nfs/dbraw/zinc/01/64/37/1030016437.db2.gz KWVNKSPGQKFKTO-KSZLIROESA-N 2 1 347.503 3.556 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481823822 1030016456 /nfs/dbraw/zinc/01/64/56/1030016456.db2.gz KWVNKSPGQKFKTO-KSZLIROESA-N 2 1 347.503 3.556 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000481823820 1030017025 /nfs/dbraw/zinc/01/70/25/1030017025.db2.gz KWVNKSPGQKFKTO-BZSNNMDCSA-N 2 1 347.503 3.556 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000481823820 1030017038 /nfs/dbraw/zinc/01/70/38/1030017038.db2.gz KWVNKSPGQKFKTO-BZSNNMDCSA-N 2 1 347.503 3.556 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)ccn1 ZINC000453285644 1030028063 /nfs/dbraw/zinc/02/80/63/1030028063.db2.gz JXKPBELFCHCDKJ-VSKRKVRLSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453297509 1030046790 /nfs/dbraw/zinc/04/67/90/1030046790.db2.gz ZIGNCWNLYFGRCQ-ZHHKINOHSA-N 2 1 344.543 3.818 20 0 EHADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667969987 1030064570 /nfs/dbraw/zinc/06/45/70/1030064570.db2.gz ZHIDXMLSFXTJKC-IIBYNOLFSA-N 2 1 348.450 3.859 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000157795738 1030087868 /nfs/dbraw/zinc/08/78/68/1030087868.db2.gz DJSLGFBJMYZYMC-LMEGTBPZSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000157795738 1030087876 /nfs/dbraw/zinc/08/78/76/1030087876.db2.gz DJSLGFBJMYZYMC-LMEGTBPZSA-N 2 1 337.305 3.767 20 0 EHADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000453324213 1030105015 /nfs/dbraw/zinc/10/50/15/1030105015.db2.gz QLWZMIPKSJOISX-JCHJZTRSSA-N 2 1 336.907 3.532 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000481950458 1030129666 /nfs/dbraw/zinc/12/96/66/1030129666.db2.gz BJRDKMWCGNVGBH-IRXDYDNUSA-N 2 1 328.504 3.788 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000657771649 1030141903 /nfs/dbraw/zinc/14/19/03/1030141903.db2.gz DWPOKAJWIAWJOY-NJDAHSKKSA-N 2 1 342.527 3.836 20 0 EHADMP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000453389508 1030170380 /nfs/dbraw/zinc/17/03/80/1030170380.db2.gz RKEGTTVTGRSYBO-MZADTFQBSA-N 2 1 342.527 3.978 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)oc2cc1C ZINC000650723930 1030216140 /nfs/dbraw/zinc/21/61/40/1030216140.db2.gz VXOLSONIYGMZMU-YFVAEKQCSA-N 2 1 342.483 3.910 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)C1CC1 ZINC000453412654 1030224224 /nfs/dbraw/zinc/22/42/24/1030224224.db2.gz WGCHZUPMRQOWPR-OXJNMPFZSA-N 2 1 334.479 3.757 20 0 EHADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000453427192 1030279843 /nfs/dbraw/zinc/27/98/43/1030279843.db2.gz OQTKIHWIRIZXLW-KOUNCHBCSA-N 2 1 335.495 3.718 20 0 EHADMP CN(c1ccccc1C[N@@H+](C)CCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000092479142 1030460910 /nfs/dbraw/zinc/46/09/10/1030460910.db2.gz MOTQGXFIEZUWQL-UHFFFAOYSA-N 2 1 343.437 3.601 20 0 EHADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1C ZINC000447745182 1030464650 /nfs/dbraw/zinc/46/46/50/1030464650.db2.gz LWMRCZHFJGXUNZ-OAQYLSRUSA-N 2 1 338.495 3.958 20 0 EHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000447745182 1030464660 /nfs/dbraw/zinc/46/46/60/1030464660.db2.gz LWMRCZHFJGXUNZ-OAQYLSRUSA-N 2 1 338.495 3.958 20 0 EHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000447745182 1030464674 /nfs/dbraw/zinc/46/46/74/1030464674.db2.gz LWMRCZHFJGXUNZ-OAQYLSRUSA-N 2 1 338.495 3.958 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)[C@H](C)C1 ZINC000532196047 1030470753 /nfs/dbraw/zinc/47/07/53/1030470753.db2.gz MBIALSHEOMYBCW-DYESRHJHSA-N 2 1 342.483 3.816 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000482551246 1030522279 /nfs/dbraw/zinc/52/22/79/1030522279.db2.gz QVINCOXRWZQKRO-LJQANCHMSA-N 2 1 328.500 3.644 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482553986 1030539428 /nfs/dbraw/zinc/53/94/28/1030539428.db2.gz HGEDITGESLJJAL-UZLBHIALSA-N 2 1 346.490 3.684 20 0 EHADMP CCc1noc(C)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000163433879 1030550410 /nfs/dbraw/zinc/55/04/10/1030550410.db2.gz CRYYOENAZFCPDS-UHFFFAOYSA-N 2 1 341.499 3.889 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000151123145 1030602236 /nfs/dbraw/zinc/60/22/36/1030602236.db2.gz DQXXGGJGIQLUKB-PBHICJAKSA-N 2 1 344.421 3.714 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000151123145 1030602249 /nfs/dbraw/zinc/60/22/49/1030602249.db2.gz DQXXGGJGIQLUKB-PBHICJAKSA-N 2 1 344.421 3.714 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000448032856 1030688741 /nfs/dbraw/zinc/68/87/41/1030688741.db2.gz XLFBUEHBWWAUIT-UWJYYQICSA-N 2 1 330.516 3.614 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ncccc1C(F)(F)F ZINC000640533486 1030722137 /nfs/dbraw/zinc/72/21/37/1030722137.db2.gz JBOKTPCCIYVZMT-UHFFFAOYSA-N 2 1 329.410 3.798 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)CC1 ZINC000668169469 1030834739 /nfs/dbraw/zinc/83/47/39/1030834739.db2.gz RYQCFZVXGQJWMS-AWEZNQCLSA-N 2 1 342.405 3.591 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)CC1 ZINC000668169470 1030837039 /nfs/dbraw/zinc/83/70/39/1030837039.db2.gz RYQCFZVXGQJWMS-CQSZACIVSA-N 2 1 342.405 3.591 20 0 EHADMP C[C@@H](CC[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000194558611 1030869170 /nfs/dbraw/zinc/86/91/70/1030869170.db2.gz HAAYRVOSHKYTRL-IBGZPJMESA-N 2 1 330.516 3.805 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1)C(C)C ZINC000131041025 1030942176 /nfs/dbraw/zinc/94/21/76/1030942176.db2.gz ULFDDKNWRQMCSW-UHFFFAOYSA-N 2 1 325.456 3.628 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000551083810 1031024264 /nfs/dbraw/zinc/02/42/64/1031024264.db2.gz MINUEIKUKQAEAQ-GSPCLOLRSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000551083810 1031024281 /nfs/dbraw/zinc/02/42/81/1031024281.db2.gz MINUEIKUKQAEAQ-GSPCLOLRSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000551083810 1031024300 /nfs/dbraw/zinc/02/43/00/1031024300.db2.gz MINUEIKUKQAEAQ-GSPCLOLRSA-N 2 1 349.522 3.857 20 0 EHADMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000483247588 1031055780 /nfs/dbraw/zinc/05/57/80/1031055780.db2.gz BYBXMUCEKCMOGJ-UGKGYDQZSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000483247588 1031055795 /nfs/dbraw/zinc/05/57/95/1031055795.db2.gz BYBXMUCEKCMOGJ-UGKGYDQZSA-N 2 1 340.511 3.924 20 0 EHADMP c1cc(OCC2CC2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000483247588 1031055809 /nfs/dbraw/zinc/05/58/09/1031055809.db2.gz BYBXMUCEKCMOGJ-UGKGYDQZSA-N 2 1 340.511 3.924 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483268801 1031076914 /nfs/dbraw/zinc/07/69/14/1031076914.db2.gz LODKKJOYQGQOBU-CEXWTWQISA-N 2 1 330.516 3.877 20 0 EHADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527725432 1031153758 /nfs/dbraw/zinc/15/37/58/1031153758.db2.gz UCPDWCQPOAIHRX-PMACEKPBSA-N 2 1 330.516 3.539 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000476999641 1031165796 /nfs/dbraw/zinc/16/57/96/1031165796.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000476999641 1031165808 /nfs/dbraw/zinc/16/58/08/1031165808.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000476999641 1031165816 /nfs/dbraw/zinc/16/58/16/1031165816.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000476999641 1031165825 /nfs/dbraw/zinc/16/58/25/1031165825.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000476999641 1031165834 /nfs/dbraw/zinc/16/58/34/1031165834.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000476999641 1031165841 /nfs/dbraw/zinc/16/58/41/1031165841.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000476999641 1031165847 /nfs/dbraw/zinc/16/58/47/1031165847.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000476999641 1031165853 /nfs/dbraw/zinc/16/58/53/1031165853.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@H]1CCCC[NH+]1CCC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000476999641 1031165858 /nfs/dbraw/zinc/16/58/58/1031165858.db2.gz WLSDJTQXHITEJT-FPOVZHCZSA-N 2 1 335.580 3.837 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000583973423 1031278939 /nfs/dbraw/zinc/27/89/39/1031278939.db2.gz CBKSXWUHBZPLEE-GDBMZVCRSA-N 2 1 337.389 3.907 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527858284 1031335836 /nfs/dbraw/zinc/33/58/36/1031335836.db2.gz JIFGECGLWWSBIZ-CVEARBPZSA-N 2 1 337.471 3.579 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCc4c3cccc4F)CC2)[nH+]c1 ZINC000484125550 1031459544 /nfs/dbraw/zinc/45/95/44/1031459544.db2.gz BPFOUOHWYQEYPH-LJQANCHMSA-N 2 1 325.431 3.775 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152193 1031472129 /nfs/dbraw/zinc/47/21/29/1031472129.db2.gz PFHRZBQUDPQIDZ-RCZSKKKRSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484152193 1031472142 /nfs/dbraw/zinc/47/21/42/1031472142.db2.gz PFHRZBQUDPQIDZ-RCZSKKKRSA-N 2 1 338.495 3.529 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000484134493 1031474444 /nfs/dbraw/zinc/47/44/44/1031474444.db2.gz KWJSTKOKXTTYCN-OXJNMPFZSA-N 2 1 344.524 3.598 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000484134493 1031474454 /nfs/dbraw/zinc/47/44/54/1031474454.db2.gz KWJSTKOKXTTYCN-OXJNMPFZSA-N 2 1 344.524 3.598 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000484134491 1031474665 /nfs/dbraw/zinc/47/46/65/1031474665.db2.gz KWJSTKOKXTTYCN-JXFKEZNVSA-N 2 1 344.524 3.598 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000484134491 1031474675 /nfs/dbraw/zinc/47/46/75/1031474675.db2.gz KWJSTKOKXTTYCN-JXFKEZNVSA-N 2 1 344.524 3.598 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC000484169234 1031482135 /nfs/dbraw/zinc/48/21/35/1031482135.db2.gz BZHMPDYOAAMWJC-PXNSSMCTSA-N 2 1 348.506 3.584 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)c1OC ZINC000666999556 1031486184 /nfs/dbraw/zinc/48/61/84/1031486184.db2.gz WCSYMEAPLOGYRK-AWEZNQCLSA-N 2 1 338.879 3.512 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000178037709 1031611041 /nfs/dbraw/zinc/61/10/41/1031611041.db2.gz OJNGEZRJLLLKMJ-WSTZPKSXSA-N 2 1 346.515 3.688 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000178757524 1031703968 /nfs/dbraw/zinc/70/39/68/1031703968.db2.gz JJCYFIYQBGXIOX-CQSZACIVSA-N 2 1 329.444 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000180701829 1031901002 /nfs/dbraw/zinc/90/10/02/1031901002.db2.gz BQJGMWDVXAIJRC-LSDHHAIUSA-N 2 1 343.471 3.952 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000653755453 1031981158 /nfs/dbraw/zinc/98/11/58/1031981158.db2.gz ZAUWGOIKNDTKCH-UHFFFAOYSA-N 2 1 333.426 3.586 20 0 EHADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000904405084 1032017905 /nfs/dbraw/zinc/01/79/05/1032017905.db2.gz IVVYOAMCSVVCFW-CYBMUJFWSA-N 2 1 327.453 3.727 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4cccnc4o3)C2)CC1 ZINC000449019576 1032037787 /nfs/dbraw/zinc/03/77/87/1032037787.db2.gz NUQYQVACUZRDIX-KRWDZBQOSA-N 2 1 327.472 3.772 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4cccnc4o3)C2)CC1 ZINC000449019576 1032037804 /nfs/dbraw/zinc/03/78/04/1032037804.db2.gz NUQYQVACUZRDIX-KRWDZBQOSA-N 2 1 327.472 3.772 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657837432 1032039499 /nfs/dbraw/zinc/03/94/99/1032039499.db2.gz FUOLKUKFPYUNDP-YLJYHZDGSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000195138157 1032051104 /nfs/dbraw/zinc/05/11/04/1032051104.db2.gz FLRWOHBAAJUFAW-AEFFLSMTSA-N 2 1 338.451 3.588 20 0 EHADMP CCC[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457922 1033348995 /nfs/dbraw/zinc/34/89/95/1033348995.db2.gz SUAYXYGLLWNEMS-UNMCSNQZSA-N 2 1 343.559 3.671 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001168291354 1033551756 /nfs/dbraw/zinc/55/17/56/1033551756.db2.gz KEOFQKMKTVZWGQ-OAQYLSRUSA-N 2 1 342.527 3.891 20 0 EHADMP C[C@H](CSCCF)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000595033778 1033656246 /nfs/dbraw/zinc/65/62/46/1033656246.db2.gz CUBPOTLVLUVVQQ-ZIFCJYIRSA-N 2 1 338.536 3.968 20 0 EHADMP CCCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000550628571 1033760095 /nfs/dbraw/zinc/76/00/95/1033760095.db2.gz JGKQRQUOXIQFFN-LEWJYISDSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000657983028 1033799990 /nfs/dbraw/zinc/79/99/90/1033799990.db2.gz QIVNQHIGTCZBDP-LLVKDONJSA-N 2 1 345.796 3.856 20 0 EHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c2ccccc21 ZINC000550666148 1033835784 /nfs/dbraw/zinc/83/57/84/1033835784.db2.gz WGJSXVBLQNDYAK-IRXDYDNUSA-N 2 1 344.474 3.722 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550700120 1033878963 /nfs/dbraw/zinc/87/89/63/1033878963.db2.gz BSEBJOJEZOEUCF-BAGYTPMASA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550700120 1033878974 /nfs/dbraw/zinc/87/89/74/1033878974.db2.gz BSEBJOJEZOEUCF-BAGYTPMASA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550700120 1033878982 /nfs/dbraw/zinc/87/89/82/1033878982.db2.gz BSEBJOJEZOEUCF-BAGYTPMASA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550700120 1033878994 /nfs/dbraw/zinc/87/89/94/1033878994.db2.gz BSEBJOJEZOEUCF-BAGYTPMASA-N 2 1 343.559 3.780 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000550700120 1033879005 /nfs/dbraw/zinc/87/90/05/1033879005.db2.gz BSEBJOJEZOEUCF-BAGYTPMASA-N 2 1 343.559 3.780 20 0 EHADMP CC1(C)Cc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc2O1 ZINC000176992392 1033956129 /nfs/dbraw/zinc/95/61/29/1033956129.db2.gz JRQWHZKJCVHHJC-UHFFFAOYSA-N 2 1 328.500 3.897 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000120618047 1034001223 /nfs/dbraw/zinc/00/12/23/1034001223.db2.gz HAKIJHSPIGRUCH-GOSISDBHSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000120618047 1034001230 /nfs/dbraw/zinc/00/12/30/1034001230.db2.gz HAKIJHSPIGRUCH-GOSISDBHSA-N 2 1 326.488 3.507 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450269561 1034015675 /nfs/dbraw/zinc/01/56/75/1034015675.db2.gz MYKDRXBXOZEWDU-RXVVDRJESA-N 2 1 332.532 3.595 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H](C)C1 ZINC000658264278 1034128730 /nfs/dbraw/zinc/12/87/30/1034128730.db2.gz FFHLWKBQNAPQPS-PBHCIXSXSA-N 2 1 344.490 3.681 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615881 1034159460 /nfs/dbraw/zinc/15/94/60/1034159460.db2.gz GGOOLQPEDCEQLK-OCCSQVGLSA-N 2 1 345.350 3.981 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615881 1034159468 /nfs/dbraw/zinc/15/94/68/1034159468.db2.gz GGOOLQPEDCEQLK-OCCSQVGLSA-N 2 1 345.350 3.981 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615881 1034159455 /nfs/dbraw/zinc/15/94/55/1034159455.db2.gz GGOOLQPEDCEQLK-OCCSQVGLSA-N 2 1 345.350 3.981 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)s2)[C@H](C)C1 ZINC000537615881 1034159449 /nfs/dbraw/zinc/15/94/49/1034159449.db2.gz GGOOLQPEDCEQLK-OCCSQVGLSA-N 2 1 345.350 3.981 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]2CNCC2=Cc3ccccc3OC2)cc1 ZINC000604069587 1034195421 /nfs/dbraw/zinc/19/54/21/1034195421.db2.gz XRKRNDSTNCFHPX-OAQYLSRUSA-N 2 1 334.463 3.717 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]2CNCC2=Cc3ccccc3OC2)cc1 ZINC000604069587 1034195432 /nfs/dbraw/zinc/19/54/32/1034195432.db2.gz XRKRNDSTNCFHPX-OAQYLSRUSA-N 2 1 334.463 3.717 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccsc3C(F)(F)F)C2)CC1 ZINC000529567215 1034220569 /nfs/dbraw/zinc/22/05/69/1034220569.db2.gz JXSJGYVKHGTNSY-CYBMUJFWSA-N 2 1 332.435 3.931 20 0 EHADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354649 1034236263 /nfs/dbraw/zinc/23/62/63/1034236263.db2.gz FBZLLDLTBSJNPK-LJQANCHMSA-N 2 1 336.470 3.965 20 0 EHADMP CCOCc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC ZINC000534347189 1034418734 /nfs/dbraw/zinc/41/87/34/1034418734.db2.gz UZWKWHHCDGUOHJ-UHFFFAOYSA-N 2 1 348.531 3.784 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340220445 1034470546 /nfs/dbraw/zinc/47/05/46/1034470546.db2.gz AHGRIIIUHFYJBQ-SJLPKXTDSA-N 2 1 329.513 3.673 20 0 EHADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340220445 1034470555 /nfs/dbraw/zinc/47/05/55/1034470555.db2.gz AHGRIIIUHFYJBQ-SJLPKXTDSA-N 2 1 329.513 3.673 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340230649 1034475773 /nfs/dbraw/zinc/47/57/73/1034475773.db2.gz LLWZLSABCWDRJP-ZWKOTPCHSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340230649 1034475780 /nfs/dbraw/zinc/47/57/80/1034475780.db2.gz LLWZLSABCWDRJP-ZWKOTPCHSA-N 2 1 329.513 3.728 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340351305 1034486083 /nfs/dbraw/zinc/48/60/83/1034486083.db2.gz AFYFSOWNLNKKKM-FHLIZLRMSA-N 2 1 329.513 3.980 20 0 EHADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340351305 1034486096 /nfs/dbraw/zinc/48/60/96/1034486096.db2.gz AFYFSOWNLNKKKM-FHLIZLRMSA-N 2 1 329.513 3.980 20 0 EHADMP CCC[N@@H+](CCCC(=O)CC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000450554179 1034517797 /nfs/dbraw/zinc/51/77/97/1034517797.db2.gz DAUKJLPYPKIHCZ-UHFFFAOYSA-N 2 1 346.519 3.534 20 0 EHADMP CCC[N@H+](CCCC(=O)CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450554179 1034517805 /nfs/dbraw/zinc/51/78/05/1034517805.db2.gz DAUKJLPYPKIHCZ-UHFFFAOYSA-N 2 1 346.519 3.534 20 0 EHADMP CCC[N@@H+](CCCC(=O)CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450554179 1034517817 /nfs/dbraw/zinc/51/78/17/1034517817.db2.gz DAUKJLPYPKIHCZ-UHFFFAOYSA-N 2 1 346.519 3.534 20 0 EHADMP CC(C)(C)c1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000685841477 1035388506 /nfs/dbraw/zinc/38/85/06/1035388506.db2.gz ABRBBBZRESPOAA-OAQYLSRUSA-N 2 1 344.543 3.760 20 0 EHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158093204 1035565304 /nfs/dbraw/zinc/56/53/04/1035565304.db2.gz QSKKIVOMNSYIQC-IAGOWNOFSA-N 2 1 346.519 3.553 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)[C@H]3C[C@@H]3C)CC2)cs1 ZINC000414113057 1035572030 /nfs/dbraw/zinc/57/20/30/1035572030.db2.gz KAVKDKOUCLUNAW-JCGIZDLHSA-N 2 1 335.561 3.942 20 0 EHADMP Cc1ccc(OCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492330303 1035628880 /nfs/dbraw/zinc/62/88/80/1035628880.db2.gz OYCQWBTWQMULAV-CTNGQTDRSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)[nH+]c1 ZINC000414129816 1035662974 /nfs/dbraw/zinc/66/29/74/1035662974.db2.gz VLSSNLTVKVJTIX-ROUUACIJSA-N 2 1 345.531 3.931 20 0 EHADMP C[C@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492355707 1035692597 /nfs/dbraw/zinc/69/25/97/1035692597.db2.gz YPZYQMKXELOFEQ-PZJWPPBQSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492355697 1035692766 /nfs/dbraw/zinc/69/27/66/1035692766.db2.gz YPZYQMKXELOFEQ-CTNGQTDRSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372019 1035719842 /nfs/dbraw/zinc/71/98/42/1035719842.db2.gz FKFZKJCHICWUBT-MJGOQNOKSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463645 1035823317 /nfs/dbraw/zinc/82/33/17/1035823317.db2.gz JDMGNKKIRXBONQ-MJGOQNOKSA-N 2 1 342.458 3.705 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000414165827 1035848685 /nfs/dbraw/zinc/84/86/85/1035848685.db2.gz CUZSXMJBUFSZDV-MNMPARFZSA-N 2 1 342.527 3.977 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414172644 1035883817 /nfs/dbraw/zinc/88/38/17/1035883817.db2.gz FPUBTXAQAZFHLN-HOCLYGCPSA-N 2 1 344.528 3.896 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414172646 1035884550 /nfs/dbraw/zinc/88/45/50/1035884550.db2.gz FPUBTXAQAZFHLN-ZBFHGGJFSA-N 2 1 344.528 3.896 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000414176174 1035904860 /nfs/dbraw/zinc/90/48/60/1035904860.db2.gz ICCKBFVZWHRCHK-HWELCPFYSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000414176174 1035904875 /nfs/dbraw/zinc/90/48/75/1035904875.db2.gz ICCKBFVZWHRCHK-HWELCPFYSA-N 3 1 343.559 3.751 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000414176174 1035904891 /nfs/dbraw/zinc/90/48/91/1035904891.db2.gz ICCKBFVZWHRCHK-HWELCPFYSA-N 3 1 343.559 3.751 20 0 EHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414182493 1035924640 /nfs/dbraw/zinc/92/46/40/1035924640.db2.gz NIKIROOXOOXQOS-CABCVRRESA-N 2 1 326.431 3.979 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000414183053 1035936053 /nfs/dbraw/zinc/93/60/53/1035936053.db2.gz NMTVUYAOTAMXTJ-ZIAGYGMSSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000414188511 1035956155 /nfs/dbraw/zinc/95/61/55/1035956155.db2.gz QIGZONHFXDWSQK-FXAWDEMLSA-N 2 1 338.499 3.571 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000588755040 1036024381 /nfs/dbraw/zinc/02/43/81/1036024381.db2.gz LVEGGVKKIVUSCX-KGVIQGDOSA-N 2 1 342.527 3.885 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242345 1036054462 /nfs/dbraw/zinc/05/44/62/1036054462.db2.gz GAAFJTMTNSWCBI-VQTJNVASSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242345 1036054481 /nfs/dbraw/zinc/05/44/81/1036054481.db2.gz GAAFJTMTNSWCBI-VQTJNVASSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)c1[nH+]c(CNC2CC[NH+](C(C)(C)C)CC2)c2ccccn21 ZINC000572488468 1036114369 /nfs/dbraw/zinc/11/43/69/1036114369.db2.gz IIMWWMQYTQKSTA-UHFFFAOYSA-N 2 1 328.504 3.810 20 0 EHADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000892581359 1036302664 /nfs/dbraw/zinc/30/26/64/1036302664.db2.gz WOQIQTUNGXUURU-KRWDZBQOSA-N 2 1 340.515 3.733 20 0 EHADMP CCC[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000191199698 1036346016 /nfs/dbraw/zinc/34/60/16/1036346016.db2.gz RVAYJCPIYXYTDY-VQTJNVASSA-N 2 1 344.524 3.598 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165321086 1036384072 /nfs/dbraw/zinc/38/40/72/1036384072.db2.gz JMAHAJRZJOLWAX-FUHWJXTLSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000165321086 1036384093 /nfs/dbraw/zinc/38/40/93/1036384093.db2.gz JMAHAJRZJOLWAX-FUHWJXTLSA-N 2 1 343.902 3.950 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(C)C ZINC000414293314 1036492695 /nfs/dbraw/zinc/49/26/95/1036492695.db2.gz MKYDFUPEAKBYLC-SSTJLMRISA-N 2 1 330.516 3.567 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000462357448 1036865690 /nfs/dbraw/zinc/86/56/90/1036865690.db2.gz HPSXNYBMPGMYPX-WAOWUJCRSA-N 2 1 330.516 3.966 20 0 EHADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000462357448 1036865706 /nfs/dbraw/zinc/86/57/06/1036865706.db2.gz HPSXNYBMPGMYPX-WAOWUJCRSA-N 2 1 330.516 3.966 20 0 EHADMP COCc1cccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310964519 1037009947 /nfs/dbraw/zinc/00/99/47/1037009947.db2.gz CDKKSAMSWNZFFJ-QFIPXVFZSA-N 2 1 338.495 3.835 20 0 EHADMP Fc1cccc(COc2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000647538750 1037013648 /nfs/dbraw/zinc/01/36/48/1037013648.db2.gz GGBXSGFCLQQNHF-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1cccc(COc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000647538750 1037013668 /nfs/dbraw/zinc/01/36/68/1037013668.db2.gz GGBXSGFCLQQNHF-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1cccc2c1SCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188223 1037108758 /nfs/dbraw/zinc/10/87/58/1037108758.db2.gz NHBURCHDVFPCNK-KRWDZBQOSA-N 2 1 331.460 3.527 20 0 EHADMP Cc1cnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180854173 1037268262 /nfs/dbraw/zinc/26/82/62/1037268262.db2.gz SQKTZJCMWXDQAK-UHFFFAOYSA-N 2 1 330.501 3.585 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2OCC2CC2)C1 ZINC000539851436 1037284988 /nfs/dbraw/zinc/28/49/88/1037284988.db2.gz UZOTXHYSNHKRCY-IBGZPJMESA-N 2 1 328.500 3.639 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2OCC2CC2)C1 ZINC000539851436 1037285009 /nfs/dbraw/zinc/28/50/09/1037285009.db2.gz UZOTXHYSNHKRCY-IBGZPJMESA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000539851436 1037285027 /nfs/dbraw/zinc/28/50/27/1037285027.db2.gz UZOTXHYSNHKRCY-IBGZPJMESA-N 2 1 328.500 3.639 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000539851436 1037285043 /nfs/dbraw/zinc/28/50/43/1037285043.db2.gz UZOTXHYSNHKRCY-IBGZPJMESA-N 2 1 328.500 3.639 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000106166565 1037308632 /nfs/dbraw/zinc/30/86/32/1037308632.db2.gz KSRBCICXOFEMQF-UHFFFAOYSA-N 2 1 337.389 3.894 20 0 EHADMP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462804290 1037423355 /nfs/dbraw/zinc/42/33/55/1037423355.db2.gz PJNQCTMAAOFXLI-SFTDATJTSA-N 2 1 344.543 3.875 20 0 EHADMP CO[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000462821483 1037444536 /nfs/dbraw/zinc/44/45/36/1037444536.db2.gz QZUFHMXGGITYGL-OTYNDTSQSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1ccsc1[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532496679 1037542333 /nfs/dbraw/zinc/54/23/33/1037542333.db2.gz BMELRSMALDXFFK-PKOBYXMFSA-N 2 1 343.540 3.696 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532537844 1037566031 /nfs/dbraw/zinc/56/60/31/1037566031.db2.gz PIHXMDDIHTZUEM-UHFFFAOYSA-N 2 1 338.499 3.696 20 0 EHADMP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089551356 1037615540 /nfs/dbraw/zinc/61/55/40/1037615540.db2.gz OWLKTNPNPLQUDI-XNJGSVPQSA-N 2 1 335.289 3.653 20 0 EHADMP CC[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000463140191 1037804672 /nfs/dbraw/zinc/80/46/72/1037804672.db2.gz VJKNJEFMOOQVFB-FQEVSTJZSA-N 2 1 349.950 3.768 20 0 EHADMP CCC[N@H+](CC)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463203661 1037872403 /nfs/dbraw/zinc/87/24/03/1037872403.db2.gz GVOIHOFYGBUBEO-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP CCC[N@@H+](CC)CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463203661 1037872423 /nfs/dbraw/zinc/87/24/23/1037872423.db2.gz GVOIHOFYGBUBEO-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CC1 ZINC000540395045 1037886076 /nfs/dbraw/zinc/88/60/76/1037886076.db2.gz HGVSRDDAIXZDHG-FGTMMUONSA-N 2 1 330.516 3.584 20 0 EHADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119951692 1037917926 /nfs/dbraw/zinc/91/79/26/1037917926.db2.gz VLKCVVHHCVNIOP-SFHVURJKSA-N 2 1 338.495 3.968 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000538753233 1038518069 /nfs/dbraw/zinc/51/80/69/1038518069.db2.gz ZFMQBPHJECRVLK-FCHUYYIVSA-N 2 1 344.543 3.861 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2OC(F)F)C[C@H]1C ZINC000659983026 1038612425 /nfs/dbraw/zinc/61/24/25/1038612425.db2.gz BUVPEWACMDCATC-IUODEOHRSA-N 2 1 330.394 3.732 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090790 1038678624 /nfs/dbraw/zinc/67/86/24/1038678624.db2.gz NLDCUCHEGLICLH-LAUBAEHRSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000539090790 1038678629 /nfs/dbraw/zinc/67/86/29/1038678629.db2.gz NLDCUCHEGLICLH-LAUBAEHRSA-N 2 1 342.458 3.705 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539094037 1038680056 /nfs/dbraw/zinc/68/00/56/1038680056.db2.gz SLCMGQQQYQWANZ-FPOVZHCZSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539094037 1038680059 /nfs/dbraw/zinc/68/00/59/1038680059.db2.gz SLCMGQQQYQWANZ-FPOVZHCZSA-N 2 1 338.495 3.874 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000543877002 1038763685 /nfs/dbraw/zinc/76/36/85/1038763685.db2.gz MFJVVKSJSAAXFR-UHFFFAOYSA-N 2 1 349.494 3.598 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871243 1038811324 /nfs/dbraw/zinc/81/13/24/1038811324.db2.gz DCNGWYUDUNAPLB-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871243 1038811350 /nfs/dbraw/zinc/81/13/50/1038811350.db2.gz DCNGWYUDUNAPLB-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479871243 1038811381 /nfs/dbraw/zinc/81/13/81/1038811381.db2.gz DCNGWYUDUNAPLB-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000552042372 1038906528 /nfs/dbraw/zinc/90/65/28/1038906528.db2.gz BBUQDNMOMPPLGV-TVADFSRQSA-N 2 1 342.527 3.900 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000363922788 1038951696 /nfs/dbraw/zinc/95/16/96/1038951696.db2.gz FTVCUTWXLWKDCI-CADBVGFASA-N 2 1 344.547 3.689 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477855992 1038965166 /nfs/dbraw/zinc/96/51/66/1038965166.db2.gz IKHAQTUKOMCIKC-ABAIWWIYSA-N 2 1 340.298 3.947 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000552097671 1038981733 /nfs/dbraw/zinc/98/17/33/1038981733.db2.gz JYLRSJFUJFENDZ-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000552097671 1038981742 /nfs/dbraw/zinc/98/17/42/1038981742.db2.gz JYLRSJFUJFENDZ-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000552097671 1038981749 /nfs/dbraw/zinc/98/17/49/1038981749.db2.gz JYLRSJFUJFENDZ-LRSLUSHPSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935182 1039038918 /nfs/dbraw/zinc/03/89/18/1039038918.db2.gz WCBOSWCVOIEPNA-ICSRJNTNSA-N 2 1 329.532 3.534 20 0 EHADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935182 1039038937 /nfs/dbraw/zinc/03/89/37/1039038937.db2.gz WCBOSWCVOIEPNA-ICSRJNTNSA-N 2 1 329.532 3.534 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000905909392 1039167499 /nfs/dbraw/zinc/16/74/99/1039167499.db2.gz NCKMSROIWUGOTF-JOCHJYFZSA-N 2 1 338.495 3.591 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)c1 ZINC000906158243 1039327979 /nfs/dbraw/zinc/32/79/79/1039327979.db2.gz KCDITSNXFNTLHV-LPHOPBHVSA-N 2 1 336.483 3.595 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488738382 1039365645 /nfs/dbraw/zinc/36/56/45/1039365645.db2.gz YWWKALNVPNGUDQ-IQUTYRLHSA-N 2 1 343.446 3.549 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000549464019 1039406368 /nfs/dbraw/zinc/40/63/68/1039406368.db2.gz CSXMWFJYDCZUJI-SFHVURJKSA-N 2 1 329.532 3.931 20 0 EHADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000549464019 1039406381 /nfs/dbraw/zinc/40/63/81/1039406381.db2.gz CSXMWFJYDCZUJI-SFHVURJKSA-N 2 1 329.532 3.931 20 0 EHADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000549464019 1039406392 /nfs/dbraw/zinc/40/63/92/1039406392.db2.gz CSXMWFJYDCZUJI-SFHVURJKSA-N 2 1 329.532 3.931 20 0 EHADMP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000549464019 1039406401 /nfs/dbraw/zinc/40/64/01/1039406401.db2.gz CSXMWFJYDCZUJI-SFHVURJKSA-N 2 1 329.532 3.931 20 0 EHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658288 1039418888 /nfs/dbraw/zinc/41/88/88/1039418888.db2.gz CFAMZUXKXNBJFM-WBVHZDCISA-N 2 1 336.414 3.784 20 0 EHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658288 1039418898 /nfs/dbraw/zinc/41/88/98/1039418898.db2.gz CFAMZUXKXNBJFM-WBVHZDCISA-N 2 1 336.414 3.784 20 0 EHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000394800101 1039447115 /nfs/dbraw/zinc/44/71/15/1039447115.db2.gz LSIPMHYSNQHBIF-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000394800101 1039447118 /nfs/dbraw/zinc/44/71/18/1039447118.db2.gz LSIPMHYSNQHBIF-WOJBJXKFSA-N 2 1 328.500 3.590 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCC4CCOCC4)C3)C2)cc1 ZINC000432822428 1039461967 /nfs/dbraw/zinc/46/19/67/1039461967.db2.gz FQSOHPPAZXFLKV-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCC4CCOCC4)C3)C2)cc1 ZINC000432822428 1039461976 /nfs/dbraw/zinc/46/19/76/1039461976.db2.gz FQSOHPPAZXFLKV-JOCHJYFZSA-N 2 1 342.527 3.791 20 0 EHADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000480609814 1039749200 /nfs/dbraw/zinc/74/92/00/1039749200.db2.gz KETWYJLHZXGBQB-JBPLPALLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000480609814 1039749217 /nfs/dbraw/zinc/74/92/17/1039749217.db2.gz KETWYJLHZXGBQB-JBPLPALLSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000480609814 1039749225 /nfs/dbraw/zinc/74/92/25/1039749225.db2.gz KETWYJLHZXGBQB-JBPLPALLSA-N 2 1 343.559 3.750 20 0 EHADMP Fc1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1OC1CC1 ZINC000667708711 1039770486 /nfs/dbraw/zinc/77/04/86/1039770486.db2.gz KEUVEHGIKGMEFK-HNAYVOBHSA-N 2 1 344.474 3.816 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000554842257 1039795528 /nfs/dbraw/zinc/79/55/28/1039795528.db2.gz UKCZISUMEWAVCT-RTWAWAEBSA-N 2 1 344.543 3.818 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000554842257 1039795546 /nfs/dbraw/zinc/79/55/46/1039795546.db2.gz UKCZISUMEWAVCT-RTWAWAEBSA-N 2 1 344.543 3.818 20 0 EHADMP Cc1nc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000310396413 1039899608 /nfs/dbraw/zinc/89/96/08/1039899608.db2.gz MBTFLVQMJJWDBF-OALUTQOASA-N 2 1 341.524 3.714 20 0 EHADMP COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c(C)c2c1 ZINC000480769952 1039991003 /nfs/dbraw/zinc/99/10/03/1039991003.db2.gz YUPGSGGKSZIAFH-LSDHHAIUSA-N 2 1 328.456 3.885 20 0 EHADMP COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c(C)c2c1 ZINC000480769952 1039991018 /nfs/dbraw/zinc/99/10/18/1039991018.db2.gz YUPGSGGKSZIAFH-LSDHHAIUSA-N 2 1 328.456 3.885 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cncc(Br)c1 ZINC000569356910 1039996021 /nfs/dbraw/zinc/99/60/21/1039996021.db2.gz PKBOAGZVFANJIY-KBPBESRZSA-N 2 1 340.309 3.759 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cncc(Br)c1 ZINC000569356910 1039996035 /nfs/dbraw/zinc/99/60/35/1039996035.db2.gz PKBOAGZVFANJIY-KBPBESRZSA-N 2 1 340.309 3.759 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCCC1 ZINC000480904731 1040137340 /nfs/dbraw/zinc/13/73/40/1040137340.db2.gz CBOIFTOGBOEXFH-RTBURBONSA-N 2 1 340.515 3.704 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905442 1040137760 /nfs/dbraw/zinc/13/77/60/1040137760.db2.gz ZZOJIRRBVDMBEP-URVUXULASA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905442 1040137767 /nfs/dbraw/zinc/13/77/67/1040137767.db2.gz ZZOJIRRBVDMBEP-URVUXULASA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905442 1040137772 /nfs/dbraw/zinc/13/77/72/1040137772.db2.gz ZZOJIRRBVDMBEP-URVUXULASA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000480905442 1040137778 /nfs/dbraw/zinc/13/77/78/1040137778.db2.gz ZZOJIRRBVDMBEP-URVUXULASA-N 2 1 343.559 3.609 20 0 EHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000480897539 1040146340 /nfs/dbraw/zinc/14/63/40/1040146340.db2.gz KTQBEYNPKHNDCY-NRFANRHFSA-N 2 1 330.516 3.966 20 0 EHADMP CCCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000480928887 1040181392 /nfs/dbraw/zinc/18/13/92/1040181392.db2.gz PMFQPDONYODNOT-UHFFFAOYSA-N 2 1 334.504 3.696 20 0 EHADMP CCn1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000417886673 1040287604 /nfs/dbraw/zinc/28/76/04/1040287604.db2.gz YGMGMMBZWINSPD-KRWDZBQOSA-N 2 1 326.488 3.567 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000479519911 1040339013 /nfs/dbraw/zinc/33/90/13/1040339013.db2.gz XGUZZMYUDQEQAU-XRXFAXGQSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000555340765 1040433872 /nfs/dbraw/zinc/43/38/72/1040433872.db2.gz PAENWBUMQSYKQK-UHFFFAOYSA-N 2 1 346.544 3.701 20 0 EHADMP COCc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311002099 1040530738 /nfs/dbraw/zinc/53/07/38/1040530738.db2.gz JYEIWJSIOGFZPN-QFIPXVFZSA-N 2 1 338.495 3.835 20 0 EHADMP COCc1csc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000667561062 1040647059 /nfs/dbraw/zinc/64/70/59/1040647059.db2.gz KJZYDPNUILVQLG-QGZVFWFLSA-N 2 1 336.545 3.838 20 0 EHADMP COCc1csc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000667561062 1040647072 /nfs/dbraw/zinc/64/70/72/1040647072.db2.gz KJZYDPNUILVQLG-QGZVFWFLSA-N 2 1 336.545 3.838 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cs1 ZINC000193969046 1041182262 /nfs/dbraw/zinc/18/22/62/1041182262.db2.gz MGOCAKDZLUFOCL-MNOVXSKESA-N 2 1 329.307 3.646 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCC([N@@H+]4CCCOCC4)CC3)C2)cc1 ZINC000931286326 1041227388 /nfs/dbraw/zinc/22/73/88/1041227388.db2.gz XFILXGLPPXIXAU-TZIWHRDSSA-N 2 1 342.527 3.757 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCC([N@H+]4CCCOCC4)CC3)C2)cc1 ZINC000931286326 1041227409 /nfs/dbraw/zinc/22/74/09/1041227409.db2.gz XFILXGLPPXIXAU-TZIWHRDSSA-N 2 1 342.527 3.757 20 0 EHADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000500385779 1041301042 /nfs/dbraw/zinc/30/10/42/1041301042.db2.gz SERATMASZNXNEE-IBGZPJMESA-N 2 1 338.495 3.869 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000429803115 1041322148 /nfs/dbraw/zinc/32/21/48/1041322148.db2.gz MBOYKXNHVWJZKH-XLIONFOSSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000429803115 1041322157 /nfs/dbraw/zinc/32/21/57/1041322157.db2.gz MBOYKXNHVWJZKH-XLIONFOSSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000429803115 1041322164 /nfs/dbraw/zinc/32/21/64/1041322164.db2.gz MBOYKXNHVWJZKH-XLIONFOSSA-N 2 1 334.504 3.516 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000124169405 1041630476 /nfs/dbraw/zinc/63/04/76/1041630476.db2.gz XAOJOAURQBPZES-AWEZNQCLSA-N 2 1 341.480 3.988 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000124169405 1041630478 /nfs/dbraw/zinc/63/04/78/1041630478.db2.gz XAOJOAURQBPZES-AWEZNQCLSA-N 2 1 341.480 3.988 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000511872897 1041798091 /nfs/dbraw/zinc/79/80/91/1041798091.db2.gz NAHRUIISTMRNOA-AVRDEDQJSA-N 2 1 341.543 3.982 20 0 EHADMP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806562 1042141015 /nfs/dbraw/zinc/14/10/15/1042141015.db2.gz NPESVDWZANWSEA-GOSISDBHSA-N 2 1 343.515 3.602 20 0 EHADMP CCCC[NH+]1CCC(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000164441201 1042230513 /nfs/dbraw/zinc/23/05/13/1042230513.db2.gz IFEFMVGBHZXIOI-SFHVURJKSA-N 2 1 347.547 3.542 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000047973743 1042271970 /nfs/dbraw/zinc/27/19/70/1042271970.db2.gz BJUKPOUHSUYAMM-UHFFFAOYSA-N 2 1 342.487 3.599 20 0 EHADMP COc1cccc2c1CCC[C@@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249633312 1042539076 /nfs/dbraw/zinc/53/90/76/1042539076.db2.gz VVNOENXGKQLILK-QKLQHJQFSA-N 2 1 346.515 3.552 20 0 EHADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cc2ccccc2o1 ZINC000662254423 1042638109 /nfs/dbraw/zinc/63/81/09/1042638109.db2.gz QOKXOLJAXMMQCY-DOTOQJQBSA-N 2 1 328.456 3.727 20 0 EHADMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000662258363 1042641645 /nfs/dbraw/zinc/64/16/45/1042641645.db2.gz ZRENQLKFBYZBBU-VGSWGCGISA-N 2 1 336.479 3.603 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OCC ZINC000278863090 1042663468 /nfs/dbraw/zinc/66/34/68/1042663468.db2.gz BAKHWDJVMBVAKS-JKSUJKDBSA-N 2 1 343.471 3.594 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000662307610 1042674995 /nfs/dbraw/zinc/67/49/95/1042674995.db2.gz XPGLZOQCBPTVTB-QGZVFWFLSA-N 2 1 349.478 3.586 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000662307610 1042674997 /nfs/dbraw/zinc/67/49/97/1042674997.db2.gz XPGLZOQCBPTVTB-QGZVFWFLSA-N 2 1 349.478 3.586 20 0 EHADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])on2)cc1 ZINC000662316554 1042685511 /nfs/dbraw/zinc/68/55/11/1042685511.db2.gz VOUITZDTPDLDLD-FOIQADDNSA-N 2 1 343.471 3.690 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662388415 1042698840 /nfs/dbraw/zinc/69/88/40/1042698840.db2.gz OHCZAHLTYRSLRO-INIZCTEOSA-N 2 1 349.478 3.917 20 0 EHADMP FC(F)COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344973 1042729548 /nfs/dbraw/zinc/72/95/48/1042729548.db2.gz DIIDTYQWOXDPBB-QGZVFWFLSA-N 2 1 338.442 3.542 20 0 EHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468905 1042894572 /nfs/dbraw/zinc/89/45/72/1042894572.db2.gz NGTQLMBJMBMTNH-XLIONFOSSA-N 2 1 330.516 3.728 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000278911693 1042920873 /nfs/dbraw/zinc/92/08/73/1042920873.db2.gz GXGCPMRPZAUKII-WFASDCNBSA-N 2 1 333.888 3.926 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001167827862 1042974805 /nfs/dbraw/zinc/97/48/05/1042974805.db2.gz YPYOVJKNOYENNU-WBVHZDCISA-N 2 1 340.458 3.928 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663530857 1042979086 /nfs/dbraw/zinc/97/90/86/1042979086.db2.gz OEPRDVFWMXFITP-UHFFFAOYSA-N 2 1 334.467 3.911 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001167834757 1043026451 /nfs/dbraw/zinc/02/64/51/1043026451.db2.gz MQEKIZVNUMZUAX-SFHVURJKSA-N 2 1 335.511 3.848 20 0 EHADMP Cc1cc(CO)cc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH+]1 ZINC000663619727 1043086937 /nfs/dbraw/zinc/08/69/37/1043086937.db2.gz GAMQLROIUSWMRD-MRXNPFEDSA-N 2 1 325.456 3.520 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344074142 1043204291 /nfs/dbraw/zinc/20/42/91/1043204291.db2.gz MLJBHHXVYNRKOO-RTWAWAEBSA-N 2 1 330.516 3.744 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107213 1043257856 /nfs/dbraw/zinc/25/78/56/1043257856.db2.gz QGUMFBICEQTBSO-RYUDHWBXSA-N 2 1 331.323 3.811 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446630 1043274745 /nfs/dbraw/zinc/27/47/45/1043274745.db2.gz NBBPIGWCUOTJLD-ZWKOTPCHSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446630 1043274753 /nfs/dbraw/zinc/27/47/53/1043274753.db2.gz NBBPIGWCUOTJLD-ZWKOTPCHSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446628 1043275270 /nfs/dbraw/zinc/27/52/70/1043275270.db2.gz NBBPIGWCUOTJLD-QZTJIDSGSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446628 1043275274 /nfs/dbraw/zinc/27/52/74/1043275274.db2.gz NBBPIGWCUOTJLD-QZTJIDSGSA-N 2 1 326.484 3.991 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000344296292 1043612322 /nfs/dbraw/zinc/61/23/22/1043612322.db2.gz BEUSBTFWUOHQLL-ZDUSSCGKSA-N 2 1 328.366 3.705 20 0 EHADMP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1C ZINC000279531762 1044183404 /nfs/dbraw/zinc/18/34/04/1044183404.db2.gz ZJYPFLKGMOLSLE-UHFFFAOYSA-N 2 1 339.483 3.916 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000344664892 1044261672 /nfs/dbraw/zinc/26/16/72/1044261672.db2.gz IZBYVZDABFTJCG-SJLPKXTDSA-N 2 1 325.456 3.755 20 0 EHADMP CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344883380 1044648321 /nfs/dbraw/zinc/64/83/21/1044648321.db2.gz ILQBAWZXZXNZGE-FQEVSTJZSA-N 2 1 332.451 3.913 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000279784383 1044661826 /nfs/dbraw/zinc/66/18/26/1044661826.db2.gz BEYIEOINPNFROQ-UHFFFAOYSA-N 2 1 338.499 3.677 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C12CCCC2 ZINC000512335092 1044761168 /nfs/dbraw/zinc/76/11/68/1044761168.db2.gz CBCAJALKTSRVPA-LCLWPZTBSA-N 2 1 334.548 3.967 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000154479879 1125720791 /nfs/dbraw/zinc/72/07/91/1125720791.db2.gz HRMRMNBLTPBGCN-KRWDZBQOSA-N 2 1 349.588 3.695 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Br)cc1O ZINC000185073458 1126749621 /nfs/dbraw/zinc/74/96/21/1126749621.db2.gz CDBVVVRBUFAWOY-QWHCGFSZSA-N 2 1 341.293 3.537 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000174213555 1126850155 /nfs/dbraw/zinc/85/01/55/1126850155.db2.gz VOILORQDAFZVAR-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000174213555 1126850158 /nfs/dbraw/zinc/85/01/58/1126850158.db2.gz VOILORQDAFZVAR-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376931 1126936780 /nfs/dbraw/zinc/93/67/80/1126936780.db2.gz IIVSVLHFPIMCHE-CJNGLKHVSA-N 2 1 339.321 3.843 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931447 /nfs/dbraw/zinc/93/14/47/1126931447.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931454 /nfs/dbraw/zinc/93/14/54/1126931454.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931457 /nfs/dbraw/zinc/93/14/57/1126931457.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931461 /nfs/dbraw/zinc/93/14/61/1126931461.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931463 /nfs/dbraw/zinc/93/14/63/1126931463.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931465 /nfs/dbraw/zinc/93/14/65/1126931465.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357225 1126931469 /nfs/dbraw/zinc/93/14/69/1126931469.db2.gz DOKRBECBGFCSFD-GHTZIAJQSA-N 2 1 343.559 3.881 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cccc4n[nH]cc43)C2)c1 ZINC000623386095 1126939762 /nfs/dbraw/zinc/93/97/62/1126939762.db2.gz JWSWXOJRKHSKJG-HNNXBMFYSA-N 2 1 340.496 3.626 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cccc4n[nH]cc43)C2)c1 ZINC000623386095 1126939765 /nfs/dbraw/zinc/93/97/65/1126939765.db2.gz JWSWXOJRKHSKJG-HNNXBMFYSA-N 2 1 340.496 3.626 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(OC3CCCCC3)nc2)CC1(C)C ZINC000623387573 1126941587 /nfs/dbraw/zinc/94/15/87/1126941587.db2.gz JTEAQQVICDXUOB-KRWDZBQOSA-N 2 1 331.504 3.756 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC1(C)C ZINC000623387573 1126941594 /nfs/dbraw/zinc/94/15/94/1126941594.db2.gz JTEAQQVICDXUOB-KRWDZBQOSA-N 2 1 331.504 3.756 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)c1 ZINC000623403502 1126946148 /nfs/dbraw/zinc/94/61/48/1126946148.db2.gz XYKCQZYGWZKLSO-UHFFFAOYSA-N 2 1 347.453 3.772 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1(C)C ZINC000623429764 1126954073 /nfs/dbraw/zinc/95/40/73/1126954073.db2.gz ONLDCCHWNAMMJM-NUJGCVRESA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1cccs1 ZINC000623429764 1126954075 /nfs/dbraw/zinc/95/40/75/1126954075.db2.gz ONLDCCHWNAMMJM-NUJGCVRESA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1cccs1 ZINC000623429764 1126954078 /nfs/dbraw/zinc/95/40/78/1126954078.db2.gz ONLDCCHWNAMMJM-NUJGCVRESA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1(C)C ZINC000623429763 1126954187 /nfs/dbraw/zinc/95/41/87/1126954187.db2.gz ONLDCCHWNAMMJM-JFIYKMOQSA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1cccs1 ZINC000623429763 1126954188 /nfs/dbraw/zinc/95/41/88/1126954188.db2.gz ONLDCCHWNAMMJM-JFIYKMOQSA-N 2 1 335.561 3.593 20 0 EHADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1cccs1 ZINC000623429763 1126954190 /nfs/dbraw/zinc/95/41/90/1126954190.db2.gz ONLDCCHWNAMMJM-JFIYKMOQSA-N 2 1 335.561 3.593 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443670 1126957480 /nfs/dbraw/zinc/95/74/80/1126957480.db2.gz IUKUUUXXCCKQGS-QAPCUYQASA-N 2 1 326.488 3.704 20 0 EHADMP CN(Cc1cccc2c1NCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346833921 1126981429 /nfs/dbraw/zinc/98/14/29/1126981429.db2.gz SHTDDDCRBKSVTG-LJQANCHMSA-N 2 1 335.495 3.609 20 0 EHADMP C[N@@H+](Cc1cccc2c1NCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000346833921 1126981432 /nfs/dbraw/zinc/98/14/32/1126981432.db2.gz SHTDDDCRBKSVTG-LJQANCHMSA-N 2 1 335.495 3.609 20 0 EHADMP C[N@H+](Cc1cccc2c1NCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000346833921 1126981434 /nfs/dbraw/zinc/98/14/34/1126981434.db2.gz SHTDDDCRBKSVTG-LJQANCHMSA-N 2 1 335.495 3.609 20 0 EHADMP C[NH+](Cc1cccc2c1NCC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000346833921 1126981436 /nfs/dbraw/zinc/98/14/36/1126981436.db2.gz SHTDDDCRBKSVTG-LJQANCHMSA-N 2 1 335.495 3.609 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000623862534 1127200880 /nfs/dbraw/zinc/20/08/80/1127200880.db2.gz WUTAPOBRXPJMIP-OAQYLSRUSA-N 2 1 331.548 3.699 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623853377 1127202591 /nfs/dbraw/zinc/20/25/91/1127202591.db2.gz WGPCUQHWGBYKGI-NSHDSACASA-N 2 1 349.828 3.759 20 0 EHADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000623890065 1127211155 /nfs/dbraw/zinc/21/11/55/1127211155.db2.gz BCSHWXHMKIKIFU-KGLIPLIRSA-N 2 1 325.294 3.750 20 0 EHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000623928502 1127215147 /nfs/dbraw/zinc/21/51/47/1127215147.db2.gz RQGFGYIOGZEPLX-NSHDSACASA-N 2 1 347.812 3.536 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCc2cc(Cl)ccc2Br)CC[N@H+]1C ZINC000181498913 1127279960 /nfs/dbraw/zinc/27/99/60/1127279960.db2.gz FGOZAPJQTZGQHC-BXUZGUMPSA-N 2 1 345.712 3.717 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000624221069 1127317196 /nfs/dbraw/zinc/31/71/96/1127317196.db2.gz NGFUQHXYBMPAQN-QUCCMNQESA-N 2 1 348.918 3.950 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624222808 1127319737 /nfs/dbraw/zinc/31/97/37/1127319737.db2.gz FZMYWPZHUYOCGE-KWJLTHHISA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383441209 1127543404 /nfs/dbraw/zinc/54/34/04/1127543404.db2.gz DSIAVLYVYPLZQR-MAUKXSAKSA-N 2 1 330.422 3.965 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000921530955 1127675669 /nfs/dbraw/zinc/67/56/69/1127675669.db2.gz ALPLCVCECNFJKR-KRWDZBQOSA-N 2 1 344.478 3.517 20 0 EHADMP c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000126650271 1128088394 /nfs/dbraw/zinc/08/83/94/1128088394.db2.gz KNEFWHOWVHQZJF-AZUAARDMSA-N 2 1 346.478 3.742 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168584873 1128104396 /nfs/dbraw/zinc/10/43/96/1128104396.db2.gz OHQBDZYANYVESD-UYAOXDASSA-N 2 1 334.504 3.627 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168584873 1128104400 /nfs/dbraw/zinc/10/44/00/1128104400.db2.gz OHQBDZYANYVESD-UYAOXDASSA-N 2 1 334.504 3.627 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741358 1128177861 /nfs/dbraw/zinc/17/78/61/1128177861.db2.gz FMFPLQAOFNOEIF-CABCVRRESA-N 2 1 331.460 3.696 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000623655718 1128449663 /nfs/dbraw/zinc/44/96/63/1128449663.db2.gz CJRVWQJJDQELTK-CQSZACIVSA-N 2 1 332.879 3.552 20 0 EHADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303678119 1128687232 /nfs/dbraw/zinc/68/72/32/1128687232.db2.gz IGTOTMAOJFCXAO-RTBURBONSA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303678119 1128687233 /nfs/dbraw/zinc/68/72/33/1128687233.db2.gz IGTOTMAOJFCXAO-RTBURBONSA-N 2 1 338.536 3.696 20 0 EHADMP CCOC(=O)CCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678119 1128687234 /nfs/dbraw/zinc/68/72/34/1128687234.db2.gz IGTOTMAOJFCXAO-RTBURBONSA-N 2 1 338.536 3.696 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2ccccc2c1 ZINC000282313476 1128770392 /nfs/dbraw/zinc/77/03/92/1128770392.db2.gz NERTXEIIZXBPKC-QGZVFWFLSA-N 2 1 325.500 3.516 20 0 EHADMP C[N@@H+](CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000383656615 1128799008 /nfs/dbraw/zinc/79/90/08/1128799008.db2.gz FKUGXMSUACSDSH-UHFFFAOYSA-N 2 1 341.540 3.534 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2C)C1 ZINC001648959675 1120280856 /nfs/dbraw/zinc/28/08/56/1120280856.db2.gz CLHAKUPUYAIOGK-AWEZNQCLSA-N 2 1 325.294 3.579 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494316782 1120534260 /nfs/dbraw/zinc/53/42/60/1120534260.db2.gz WCLDJRNWHCXIFH-CYBMUJFWSA-N 2 1 345.712 3.924 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000542482737 1120565376 /nfs/dbraw/zinc/56/53/76/1120565376.db2.gz AEMJDNHETCIULM-ISMARYCFSA-N 2 1 342.527 3.692 20 0 EHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000191445862 1120674071 /nfs/dbraw/zinc/67/40/71/1120674071.db2.gz SEIXMDNITGFZKS-UHFFFAOYSA-N 2 1 337.939 3.578 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262337207 1120917914 /nfs/dbraw/zinc/91/79/14/1120917914.db2.gz ZMWYPZMFLPAUCA-NXHRZFHOSA-N 2 1 329.488 3.517 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000670155005 1121108147 /nfs/dbraw/zinc/10/81/47/1121108147.db2.gz VCIQQRDJDXZASG-QMMLZNLJSA-N 2 1 330.516 3.658 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000915257495 1121281792 /nfs/dbraw/zinc/28/17/92/1121281792.db2.gz OFYPNJACQYVHIR-UHFFFAOYSA-N 2 1 342.512 3.883 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000915257495 1121281797 /nfs/dbraw/zinc/28/17/97/1121281797.db2.gz OFYPNJACQYVHIR-UHFFFAOYSA-N 2 1 342.512 3.883 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCCC2 ZINC000236991957 1121470761 /nfs/dbraw/zinc/47/07/61/1121470761.db2.gz ZIKMBDTZDSWKOM-RTWAWAEBSA-N 2 1 342.527 3.978 20 0 EHADMP CC(C)C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccs1 ZINC000124476142 1122285427 /nfs/dbraw/zinc/28/54/27/1122285427.db2.gz UFPRWEKLWAGXLH-GOSISDBHSA-N 2 1 337.577 3.699 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127071238 1122459987 /nfs/dbraw/zinc/45/99/87/1122459987.db2.gz RXNWMTLEHRUWFG-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000127071238 1122459985 /nfs/dbraw/zinc/45/99/85/1122459985.db2.gz RXNWMTLEHRUWFG-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127071238 1122459980 /nfs/dbraw/zinc/45/99/80/1122459980.db2.gz RXNWMTLEHRUWFG-NWDGAFQWSA-N 2 1 329.257 3.581 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000068722521 1122688448 /nfs/dbraw/zinc/68/84/48/1122688448.db2.gz GAFXHZLXEBFBKO-CQSZACIVSA-N 2 1 341.480 3.988 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000068722521 1122688450 /nfs/dbraw/zinc/68/84/50/1122688450.db2.gz GAFXHZLXEBFBKO-CQSZACIVSA-N 2 1 341.480 3.988 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000556205743 1122870578 /nfs/dbraw/zinc/87/05/78/1122870578.db2.gz MMYYAPFLUDUMSD-IBGZPJMESA-N 2 1 348.494 3.845 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556238605 1122891297 /nfs/dbraw/zinc/89/12/97/1122891297.db2.gz CEYFMDZTZQSUSO-GXRSIYKFSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000763433401 1122995574 /nfs/dbraw/zinc/99/55/74/1122995574.db2.gz REBXURMNZAZTGW-LAUBAEHRSA-N 2 1 348.506 3.836 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498765737 1123061683 /nfs/dbraw/zinc/06/16/83/1123061683.db2.gz DPOYYJIBQFKSTJ-DYXWJJEUSA-N 2 1 340.515 3.552 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)C2)cc1F ZINC000556875822 1123157313 /nfs/dbraw/zinc/15/73/13/1123157313.db2.gz KXGTXODKCMDITD-BEIYGRMHSA-N 2 1 332.463 3.543 20 0 EHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000132449301 1123231273 /nfs/dbraw/zinc/23/12/73/1123231273.db2.gz PWDXXKNMTVGIDC-QGZVFWFLSA-N 2 1 339.405 3.694 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250604 1123298510 /nfs/dbraw/zinc/29/85/10/1123298510.db2.gz CLNBWNTVUGENGU-DYESRHJHSA-N 2 1 326.459 3.868 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000499250604 1123298511 /nfs/dbraw/zinc/29/85/11/1123298511.db2.gz CLNBWNTVUGENGU-DYESRHJHSA-N 2 1 326.459 3.868 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000499253701 1123312067 /nfs/dbraw/zinc/31/20/67/1123312067.db2.gz SMTCUQJHTOXUHJ-SXFAUFNYSA-N 2 1 342.527 3.975 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-c3ccccc3)o2)C[C@H](C)O1 ZINC000237609604 1123528404 /nfs/dbraw/zinc/52/84/04/1123528404.db2.gz MJFLGGKTTGDTEZ-HDICACEKSA-N 2 1 342.483 3.926 20 0 EHADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134918990 1123564485 /nfs/dbraw/zinc/56/44/85/1123564485.db2.gz FESUDMINQADNPZ-UYAOXDASSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918990 1123564490 /nfs/dbraw/zinc/56/44/90/1123564490.db2.gz FESUDMINQADNPZ-UYAOXDASSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918990 1123564492 /nfs/dbraw/zinc/56/44/92/1123564492.db2.gz FESUDMINQADNPZ-UYAOXDASSA-N 2 1 328.500 3.713 20 0 EHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438462 1123827031 /nfs/dbraw/zinc/82/70/31/1123827031.db2.gz FIBHMROWVUNIQH-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438462 1123827039 /nfs/dbraw/zinc/82/70/39/1123827039.db2.gz FIBHMROWVUNIQH-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438462 1123827044 /nfs/dbraw/zinc/82/70/44/1123827044.db2.gz FIBHMROWVUNIQH-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000245438462 1123827050 /nfs/dbraw/zinc/82/70/50/1123827050.db2.gz FIBHMROWVUNIQH-ZIAGYGMSSA-N 2 1 330.394 3.920 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000245470887 1123843690 /nfs/dbraw/zinc/84/36/90/1123843690.db2.gz WWPYBXNYYDDKRI-CLCXKQKWSA-N 2 1 340.458 3.752 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000245470887 1123843695 /nfs/dbraw/zinc/84/36/95/1123843695.db2.gz WWPYBXNYYDDKRI-CLCXKQKWSA-N 2 1 340.458 3.752 20 0 EHADMP Cc1ccc2ncc(CN3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2c1 ZINC000245566426 1123876706 /nfs/dbraw/zinc/87/67/06/1123876706.db2.gz SQMGYFQLIXBXNP-RTBURBONSA-N 2 1 340.515 3.729 20 0 EHADMP CC(C)COCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245763101 1123948366 /nfs/dbraw/zinc/94/83/66/1123948366.db2.gz VWPAZHWDVNJRQN-MZADTFQBSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000245969504 1123992859 /nfs/dbraw/zinc/99/28/59/1123992859.db2.gz WCPUSOIBCSMQCR-FGTMMUONSA-N 2 1 339.483 3.542 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246308370 1124081563 /nfs/dbraw/zinc/08/15/63/1124081563.db2.gz DPDJBVJTDUGPRN-DZFGPLHGSA-N 2 1 330.516 3.791 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000246837866 1124556233 /nfs/dbraw/zinc/55/62/33/1124556233.db2.gz BKQFGSMJKOIFHO-IJEWVQPXSA-N 2 1 344.421 3.754 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000246837866 1124556241 /nfs/dbraw/zinc/55/62/41/1124556241.db2.gz BKQFGSMJKOIFHO-IJEWVQPXSA-N 2 1 344.421 3.754 20 0 EHADMP CCCCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247064985 1124585179 /nfs/dbraw/zinc/58/51/79/1124585179.db2.gz OAGMEQOHOWTERL-SOLBZPMBSA-N 2 1 334.504 3.692 20 0 EHADMP CCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000247064985 1124585184 /nfs/dbraw/zinc/58/51/84/1124585184.db2.gz OAGMEQOHOWTERL-SOLBZPMBSA-N 2 1 334.504 3.692 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cc(Cl)ccc3C)C2)[C@@H](C)C1 ZINC000247072077 1124585644 /nfs/dbraw/zinc/58/56/44/1124585644.db2.gz QFIGJIKLOPWNDH-LNLFQRSKSA-N 2 1 349.950 3.795 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1 ZINC000247183899 1124594124 /nfs/dbraw/zinc/59/41/24/1124594124.db2.gz VKXBPIDRIHNYOO-IAGOWNOFSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1 ZINC000247183899 1124594127 /nfs/dbraw/zinc/59/41/27/1124594127.db2.gz VKXBPIDRIHNYOO-IAGOWNOFSA-N 2 1 342.458 3.897 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H](C)C1 ZINC000248638230 1124683740 /nfs/dbraw/zinc/68/37/40/1124683740.db2.gz MATIZNLGFLLGQU-AZUAARDMSA-N 2 1 330.516 3.693 20 0 EHADMP CC[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000649417106 1124728202 /nfs/dbraw/zinc/72/82/02/1124728202.db2.gz XYDPMLGJFIOJCA-WBMJQRKESA-N 2 1 348.288 3.557 20 0 EHADMP CC[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000649417106 1124728210 /nfs/dbraw/zinc/72/82/10/1124728210.db2.gz XYDPMLGJFIOJCA-WBMJQRKESA-N 2 1 348.288 3.557 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249153096 1124741575 /nfs/dbraw/zinc/74/15/75/1124741575.db2.gz VNVDFDATWGHEIQ-IIMDRIAPSA-N 2 1 330.516 3.679 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2s1 ZINC000249169608 1124743130 /nfs/dbraw/zinc/74/31/30/1124743130.db2.gz AOSCNODLUOIXRE-RDJZCZTQSA-N 2 1 332.513 3.789 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249173274 1124743380 /nfs/dbraw/zinc/74/33/80/1124743380.db2.gz CSVGBLKVNPYECE-QFBILLFUSA-N 2 1 344.478 3.882 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249173274 1124743387 /nfs/dbraw/zinc/74/33/87/1124743387.db2.gz CSVGBLKVNPYECE-QFBILLFUSA-N 2 1 344.478 3.882 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249194694 1124744224 /nfs/dbraw/zinc/74/42/24/1124744224.db2.gz QCWAHTIRGMCSRZ-AEFFLSMTSA-N 2 1 338.499 3.868 20 0 EHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595093 1124823354 /nfs/dbraw/zinc/82/33/54/1124823354.db2.gz XKWZKGJPQACPQU-OALUTQOASA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168705018 1129215255 /nfs/dbraw/zinc/21/52/55/1129215255.db2.gz PYQGYNSIHAQGIX-MAUKXSAKSA-N 2 1 328.887 3.904 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+]C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC000631040930 1129495726 /nfs/dbraw/zinc/49/57/26/1129495726.db2.gz FYUONPRZEKKPEQ-HJWRWDBZSA-N 2 1 343.559 3.632 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282385779 1129678589 /nfs/dbraw/zinc/67/85/89/1129678589.db2.gz ZLHBRHBPEUQDQW-INIZCTEOSA-N 2 1 346.544 3.893 20 0 EHADMP CO[C@]1(C)CCC[N@@H+](CC[C@@H](C)[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361426203 1129722983 /nfs/dbraw/zinc/72/29/83/1129722983.db2.gz RDSCQIREYOVYJN-AQNXPRMDSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361426203 1129722985 /nfs/dbraw/zinc/72/29/85/1129722985.db2.gz RDSCQIREYOVYJN-AQNXPRMDSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361426203 1129722986 /nfs/dbraw/zinc/72/29/86/1129722986.db2.gz RDSCQIREYOVYJN-AQNXPRMDSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361426204 1129723021 /nfs/dbraw/zinc/72/30/21/1129723021.db2.gz RDSCQIREYOVYJN-VAMGGRTRSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361426204 1129723023 /nfs/dbraw/zinc/72/30/23/1129723023.db2.gz RDSCQIREYOVYJN-VAMGGRTRSA-N 2 1 340.552 3.547 20 0 EHADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361426204 1129723025 /nfs/dbraw/zinc/72/30/25/1129723025.db2.gz RDSCQIREYOVYJN-VAMGGRTRSA-N 2 1 340.552 3.547 20 0 EHADMP CC(C)c1ccc(-c2ncc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000673753814 1129830002 /nfs/dbraw/zinc/83/00/02/1129830002.db2.gz RDKPBOHLFLMQTI-IAGOWNOFSA-N 2 1 327.497 3.585 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067342 1129996568 /nfs/dbraw/zinc/99/65/68/1129996568.db2.gz IJAUTCMTIPLAFV-LPHOPBHVSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067342 1129996570 /nfs/dbraw/zinc/99/65/70/1129996570.db2.gz IJAUTCMTIPLAFV-LPHOPBHVSA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000922895773 1130346972 /nfs/dbraw/zinc/34/69/72/1130346972.db2.gz GPWPOGXLGABIBI-YCZSINBZSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000922895773 1130346980 /nfs/dbraw/zinc/34/69/80/1130346980.db2.gz GPWPOGXLGABIBI-YCZSINBZSA-N 2 1 342.527 3.834 20 0 EHADMP c1ccc(Oc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccn2)cc1 ZINC000675742057 1130468252 /nfs/dbraw/zinc/46/82/52/1130468252.db2.gz ZBQOAMRZKCSEIW-UHFFFAOYSA-N 2 1 337.467 3.838 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779832 1130471918 /nfs/dbraw/zinc/47/19/18/1130471918.db2.gz JOKWUIZTIWJHLV-CVDCTZTESA-N 2 1 349.522 3.502 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1Cc2ccccc2C1 ZINC000675779832 1130471919 /nfs/dbraw/zinc/47/19/19/1130471919.db2.gz JOKWUIZTIWJHLV-CVDCTZTESA-N 2 1 349.522 3.502 20 0 EHADMP c1ccc(C2CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000675882616 1130501007 /nfs/dbraw/zinc/50/10/07/1130501007.db2.gz STUOSQNISARQMX-AOMIVXANSA-N 2 1 342.527 3.946 20 0 EHADMP CC1(O)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000705443630 1130527546 /nfs/dbraw/zinc/52/75/46/1130527546.db2.gz IUSNWQNGQAQWSM-SCCNAQOGSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(O)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000705443630 1130527552 /nfs/dbraw/zinc/52/75/52/1130527552.db2.gz IUSNWQNGQAQWSM-SCCNAQOGSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000733794423 1131082434 /nfs/dbraw/zinc/08/24/34/1131082434.db2.gz DDLMKCYHNDUPNB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000733794423 1131082440 /nfs/dbraw/zinc/08/24/40/1131082440.db2.gz DDLMKCYHNDUPNB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000733794423 1131082446 /nfs/dbraw/zinc/08/24/46/1131082446.db2.gz DDLMKCYHNDUPNB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000733794423 1131082451 /nfs/dbraw/zinc/08/24/51/1131082451.db2.gz DDLMKCYHNDUPNB-WOJBJXKFSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553314 1131089958 /nfs/dbraw/zinc/08/99/58/1131089958.db2.gz CUQPILGWQCQUIM-SFHVURJKSA-N 2 1 340.515 3.606 20 0 EHADMP COC(=O)C1(C)CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168769057 1131200936 /nfs/dbraw/zinc/20/09/36/1131200936.db2.gz ZAQFXMYPEVRYJK-OQJVAOMSSA-N 2 1 338.536 3.726 20 0 EHADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000741781007 1131646673 /nfs/dbraw/zinc/64/66/73/1131646673.db2.gz XTNLJFBRDNDWDI-GOSISDBHSA-N 2 1 346.515 3.562 20 0 EHADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000741781007 1131646675 /nfs/dbraw/zinc/64/66/75/1131646675.db2.gz XTNLJFBRDNDWDI-GOSISDBHSA-N 2 1 346.515 3.562 20 0 EHADMP CCOCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001172429915 1131725165 /nfs/dbraw/zinc/72/51/65/1131725165.db2.gz DSONBEYGCHUNQB-JBACZVJFSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172429915 1131725168 /nfs/dbraw/zinc/72/51/68/1131725168.db2.gz DSONBEYGCHUNQB-JBACZVJFSA-N 2 1 330.516 3.646 20 0 EHADMP CCOCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172429915 1131725171 /nfs/dbraw/zinc/72/51/71/1131725171.db2.gz DSONBEYGCHUNQB-JBACZVJFSA-N 2 1 330.516 3.646 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172537734 1131781803 /nfs/dbraw/zinc/78/18/03/1131781803.db2.gz VCAFNRMUNOCRBT-WTGUMLROSA-N 2 1 328.500 3.684 20 0 EHADMP CC1(C)CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001172644165 1131798872 /nfs/dbraw/zinc/79/88/72/1131798872.db2.gz JCUHCWFDONAVMB-GOSISDBHSA-N 2 1 330.516 3.834 20 0 EHADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172756716 1131836204 /nfs/dbraw/zinc/83/62/04/1131836204.db2.gz PUGQTJIGCHZGLX-AZUAARDMSA-N 2 1 346.515 3.609 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172772891 1131842917 /nfs/dbraw/zinc/84/29/17/1131842917.db2.gz IXQXWBVZUJQMAY-UYAOXDASSA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172772891 1131842921 /nfs/dbraw/zinc/84/29/21/1131842921.db2.gz IXQXWBVZUJQMAY-UYAOXDASSA-N 2 1 346.515 3.561 20 0 EHADMP CC(C)OC(=O)CC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172772891 1131842927 /nfs/dbraw/zinc/84/29/27/1131842927.db2.gz IXQXWBVZUJQMAY-UYAOXDASSA-N 2 1 346.515 3.561 20 0 EHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172780874 1131844771 /nfs/dbraw/zinc/84/47/71/1131844771.db2.gz UCJXRYIKKPCHOZ-PSBWJHGTSA-N 2 1 338.536 3.869 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389693 1131909217 /nfs/dbraw/zinc/90/92/17/1131909217.db2.gz GYJRVIHFFGFYRU-MRXNPFEDSA-N 2 1 329.513 3.992 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389693 1131909220 /nfs/dbraw/zinc/90/92/20/1131909220.db2.gz GYJRVIHFFGFYRU-MRXNPFEDSA-N 2 1 329.513 3.992 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389693 1131909228 /nfs/dbraw/zinc/90/92/28/1131909228.db2.gz GYJRVIHFFGFYRU-MRXNPFEDSA-N 2 1 329.513 3.992 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173045072 1131941327 /nfs/dbraw/zinc/94/13/27/1131941327.db2.gz BLPHHOKVADSPCU-UHFFFAOYSA-N 2 1 343.515 3.668 20 0 EHADMP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173086166 1131964381 /nfs/dbraw/zinc/96/43/81/1131964381.db2.gz RGRJAGMVJMETAZ-AWEZNQCLSA-N 2 1 344.421 3.932 20 0 EHADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173086166 1131964386 /nfs/dbraw/zinc/96/43/86/1131964386.db2.gz RGRJAGMVJMETAZ-AWEZNQCLSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173104628 1131967542 /nfs/dbraw/zinc/96/75/42/1131967542.db2.gz KAVZWWDTEPQDHW-ITAUSPCMSA-N 3 1 343.559 3.751 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173104628 1131967546 /nfs/dbraw/zinc/96/75/46/1131967546.db2.gz KAVZWWDTEPQDHW-ITAUSPCMSA-N 2 1 343.559 3.751 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001173112036 1131970015 /nfs/dbraw/zinc/97/00/15/1131970015.db2.gz PDANECYVYRPZBQ-QLOJAFMTSA-N 2 1 331.504 3.578 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001173113094 1131970556 /nfs/dbraw/zinc/97/05/56/1131970556.db2.gz IPRMARWLEWSJSY-ABHNRTSZSA-N 2 1 338.536 3.836 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173131756 1131976621 /nfs/dbraw/zinc/97/66/21/1131976621.db2.gz NBJPFJOIDPLGOS-ULQDDVLXSA-N 2 1 333.545 3.763 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@@H+]1C ZINC000743810163 1131978249 /nfs/dbraw/zinc/97/82/49/1131978249.db2.gz AOYIMMVUWHWTSZ-ZBFHGGJFSA-N 2 1 340.496 3.635 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC[N@H+]1C ZINC000743810163 1131978252 /nfs/dbraw/zinc/97/82/52/1131978252.db2.gz AOYIMMVUWHWTSZ-ZBFHGGJFSA-N 2 1 340.496 3.635 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846116 1131991641 /nfs/dbraw/zinc/99/16/41/1131991641.db2.gz BWXLNAAICKUSTJ-UNMCSNQZSA-N 2 1 344.543 3.925 20 0 EHADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846116 1131991646 /nfs/dbraw/zinc/99/16/46/1131991646.db2.gz BWXLNAAICKUSTJ-UNMCSNQZSA-N 2 1 344.543 3.925 20 0 EHADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001173306149 1132034757 /nfs/dbraw/zinc/03/47/57/1132034757.db2.gz MDLLPCIQVQUOQL-RAUXBKROSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306149 1132034764 /nfs/dbraw/zinc/03/47/64/1132034764.db2.gz MDLLPCIQVQUOQL-RAUXBKROSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306149 1132034773 /nfs/dbraw/zinc/03/47/73/1132034773.db2.gz MDLLPCIQVQUOQL-RAUXBKROSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306149 1132034780 /nfs/dbraw/zinc/03/47/80/1132034780.db2.gz MDLLPCIQVQUOQL-RAUXBKROSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173306149 1132034789 /nfs/dbraw/zinc/03/47/89/1132034789.db2.gz MDLLPCIQVQUOQL-RAUXBKROSA-N 2 1 347.572 3.756 20 0 EHADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001173456295 1132082281 /nfs/dbraw/zinc/08/22/81/1132082281.db2.gz BPKYABJNXPAZMB-QGZVFWFLSA-N 2 1 338.536 3.837 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCCNc3ccccc31)C2 ZINC000192634093 1132474799 /nfs/dbraw/zinc/47/47/99/1132474799.db2.gz AEHPTMCDJAJQJW-QFIPXVFZSA-N 2 1 335.495 3.971 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCCNc3ccccc31)C2 ZINC000192634093 1132474806 /nfs/dbraw/zinc/47/48/06/1132474806.db2.gz AEHPTMCDJAJQJW-QFIPXVFZSA-N 2 1 335.495 3.971 20 0 EHADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798002455 1132550778 /nfs/dbraw/zinc/55/07/78/1132550778.db2.gz HXWWVEMOFJURCR-TVFCKZIOSA-N 2 1 340.602 3.753 20 0 EHADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002455 1132550784 /nfs/dbraw/zinc/55/07/84/1132550784.db2.gz HXWWVEMOFJURCR-TVFCKZIOSA-N 2 1 340.602 3.753 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101239 1132655709 /nfs/dbraw/zinc/65/57/09/1132655709.db2.gz PSIXHDWWSGSBNW-HAGHYFMRSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001169118527 1132664536 /nfs/dbraw/zinc/66/45/36/1132664536.db2.gz JRNSDVOPMMLCFJ-BCDXTJNWSA-N 2 1 334.891 3.561 20 0 EHADMP COc1cccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169155192 1132680230 /nfs/dbraw/zinc/68/02/30/1132680230.db2.gz ZNXWLQRIOZKKNL-HAGHYFMRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169155192 1132680233 /nfs/dbraw/zinc/68/02/33/1132680233.db2.gz ZNXWLQRIOZKKNL-HAGHYFMRSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(C[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169155192 1132680238 /nfs/dbraw/zinc/68/02/38/1132680238.db2.gz ZNXWLQRIOZKKNL-HAGHYFMRSA-N 2 1 328.500 3.575 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169307366 1132725821 /nfs/dbraw/zinc/72/58/21/1132725821.db2.gz MAHCWAGQSVFYNI-UHFFFAOYSA-N 2 1 346.515 3.818 20 0 EHADMP FC1(F)CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898845 1132891259 /nfs/dbraw/zinc/89/12/59/1132891259.db2.gz CQPAIOFCBRVHOV-CEXWTWQISA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CCC[C@@H]1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898845 1132891267 /nfs/dbraw/zinc/89/12/67/1132891267.db2.gz CQPAIOFCBRVHOV-CEXWTWQISA-N 2 1 334.454 3.876 20 0 EHADMP FC1(F)CCC[C@@H]1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898845 1132891276 /nfs/dbraw/zinc/89/12/76/1132891276.db2.gz CQPAIOFCBRVHOV-CEXWTWQISA-N 2 1 334.454 3.876 20 0 EHADMP CCCN(CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176892881 1133008591 /nfs/dbraw/zinc/00/85/91/1133008591.db2.gz YQGNZUUJZFEORI-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892881 1133008597 /nfs/dbraw/zinc/00/85/97/1133008597.db2.gz YQGNZUUJZFEORI-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892881 1133008603 /nfs/dbraw/zinc/00/86/03/1133008603.db2.gz YQGNZUUJZFEORI-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892881 1133008608 /nfs/dbraw/zinc/00/86/08/1133008608.db2.gz YQGNZUUJZFEORI-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892881 1133008613 /nfs/dbraw/zinc/00/86/13/1133008613.db2.gz YQGNZUUJZFEORI-NRFANRHFSA-N 2 1 343.559 3.847 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295693 1133038023 /nfs/dbraw/zinc/03/80/23/1133038023.db2.gz MZKDCZYEQZVFRQ-LJQANCHMSA-N 2 1 326.525 3.731 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001177290334 1133047311 /nfs/dbraw/zinc/04/73/11/1133047311.db2.gz RVUWHMFEOMPXQL-IYBDPMFKSA-N 2 1 348.922 3.835 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873242 1133065467 /nfs/dbraw/zinc/06/54/67/1133065467.db2.gz BQXUDEVHPHLUAL-DOTOQJQBSA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873242 1133065470 /nfs/dbraw/zinc/06/54/70/1133065470.db2.gz BQXUDEVHPHLUAL-DOTOQJQBSA-N 2 1 326.406 3.979 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873242 1133065475 /nfs/dbraw/zinc/06/54/75/1133065475.db2.gz BQXUDEVHPHLUAL-DOTOQJQBSA-N 2 1 326.406 3.979 20 0 EHADMP CC[N@@H+](C/C=C\Cl)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000767898056 1133068912 /nfs/dbraw/zinc/06/89/12/1133068912.db2.gz CFQGVHMGYXRXEX-TWGQIWQCSA-N 2 1 336.911 3.952 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001177795073 1133103940 /nfs/dbraw/zinc/10/39/40/1133103940.db2.gz NPFZUTYAPCWNQS-NHCUHLMSSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795073 1133103942 /nfs/dbraw/zinc/10/39/42/1133103942.db2.gz NPFZUTYAPCWNQS-NHCUHLMSSA-N 2 1 343.559 3.894 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001177795073 1133103945 /nfs/dbraw/zinc/10/39/45/1133103945.db2.gz NPFZUTYAPCWNQS-NHCUHLMSSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001206318108 1133136369 /nfs/dbraw/zinc/13/63/69/1133136369.db2.gz MMQGKJIXXBEVNR-CQSZACIVSA-N 2 1 335.801 3.705 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001206318108 1133136372 /nfs/dbraw/zinc/13/63/72/1133136372.db2.gz MMQGKJIXXBEVNR-CQSZACIVSA-N 2 1 335.801 3.705 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@@H]1C ZINC000769471510 1133298689 /nfs/dbraw/zinc/29/86/89/1133298689.db2.gz UYKZXXFOJCYAQL-BLLLJJGKSA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@@H]1C ZINC000769471510 1133298693 /nfs/dbraw/zinc/29/86/93/1133298693.db2.gz UYKZXXFOJCYAQL-BLLLJJGKSA-N 2 1 346.544 3.921 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sc3nc(C)nc(C)c3c2C)C[C@@H]1C ZINC000769471510 1133298698 /nfs/dbraw/zinc/29/86/98/1133298698.db2.gz UYKZXXFOJCYAQL-BLLLJJGKSA-N 2 1 346.544 3.921 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514811 1133307874 /nfs/dbraw/zinc/30/78/74/1133307874.db2.gz LRGOZTZNWKBMOH-HXUWFJFHSA-N 2 1 341.543 3.841 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514811 1133307878 /nfs/dbraw/zinc/30/78/78/1133307878.db2.gz LRGOZTZNWKBMOH-HXUWFJFHSA-N 2 1 341.543 3.841 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514811 1133307881 /nfs/dbraw/zinc/30/78/81/1133307881.db2.gz LRGOZTZNWKBMOH-HXUWFJFHSA-N 2 1 341.543 3.841 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769514811 1133307885 /nfs/dbraw/zinc/30/78/85/1133307885.db2.gz LRGOZTZNWKBMOH-HXUWFJFHSA-N 2 1 341.543 3.841 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC001180083122 1133326824 /nfs/dbraw/zinc/32/68/24/1133326824.db2.gz XROQYFCBCGNIKZ-LPHOPBHVSA-N 2 1 338.923 3.876 20 0 EHADMP CCCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC001181514567 1133496821 /nfs/dbraw/zinc/49/68/21/1133496821.db2.gz KWLZDVXSXSJZDL-FQEVSTJZSA-N 2 1 330.516 3.948 20 0 EHADMP C[C@H]([NH2+][C@H](CO)CC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001182463065 1133681596 /nfs/dbraw/zinc/68/15/96/1133681596.db2.gz STWXWHNQBAIKLS-BWAGFHJFSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001183238976 1133781877 /nfs/dbraw/zinc/78/18/77/1133781877.db2.gz QTJVRVKYWJHTDL-LJQANCHMSA-N 2 1 344.499 3.748 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001183238976 1133781878 /nfs/dbraw/zinc/78/18/78/1133781878.db2.gz QTJVRVKYWJHTDL-LJQANCHMSA-N 2 1 344.499 3.748 20 0 EHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205265713 1133795181 /nfs/dbraw/zinc/79/51/81/1133795181.db2.gz QUSIMLLVRHLCHH-MRXNPFEDSA-N 2 1 336.277 3.634 20 0 EHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205265713 1133795184 /nfs/dbraw/zinc/79/51/84/1133795184.db2.gz QUSIMLLVRHLCHH-MRXNPFEDSA-N 2 1 336.277 3.634 20 0 EHADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c2O1 ZINC001203269684 1133871176 /nfs/dbraw/zinc/87/11/76/1133871176.db2.gz BCJAQKXWTLWJDF-QGZVFWFLSA-N 2 1 328.500 3.612 20 0 EHADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2O1 ZINC001203269684 1133871182 /nfs/dbraw/zinc/87/11/82/1133871182.db2.gz BCJAQKXWTLWJDF-QGZVFWFLSA-N 2 1 328.500 3.612 20 0 EHADMP C[C@H]1COCC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001183930998 1133874132 /nfs/dbraw/zinc/87/41/32/1133874132.db2.gz YUWLRVIGDGOXKF-KNQAVFIVSA-N 2 1 344.543 3.893 20 0 EHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205288899 1133886818 /nfs/dbraw/zinc/88/68/18/1133886818.db2.gz PXTRUXQJXROBDK-KRWDZBQOSA-N 2 1 348.288 3.701 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@@H]2C1 ZINC001184387514 1133933477 /nfs/dbraw/zinc/93/34/77/1133933477.db2.gz LSZOGURFPGHQLJ-LEUPTONXSA-N 2 1 349.316 3.625 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671332 1133989681 /nfs/dbraw/zinc/98/96/81/1133989681.db2.gz INBFHMLIVCXHQW-NQIIRXRSSA-N 2 1 348.506 3.611 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000746671332 1133989686 /nfs/dbraw/zinc/98/96/86/1133989686.db2.gz INBFHMLIVCXHQW-NQIIRXRSSA-N 2 1 348.506 3.611 20 0 EHADMP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000788815430 1134183229 /nfs/dbraw/zinc/18/32/29/1134183229.db2.gz OEKBXSYVPRAXOS-DYESRHJHSA-N 2 1 339.483 3.653 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000791632839 1134587386 /nfs/dbraw/zinc/58/73/86/1134587386.db2.gz FLNWWHAAPVKOIB-UTKZUKDTSA-N 2 1 334.467 3.910 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238994 1134718514 /nfs/dbraw/zinc/71/85/14/1134718514.db2.gz LQVODKDUYAJOGC-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238994 1134718520 /nfs/dbraw/zinc/71/85/20/1134718520.db2.gz LQVODKDUYAJOGC-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170238994 1134718528 /nfs/dbraw/zinc/71/85/28/1134718528.db2.gz LQVODKDUYAJOGC-YPAWHYETSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001170262573 1134726625 /nfs/dbraw/zinc/72/66/25/1134726625.db2.gz BYDRCGDCBPWJBL-MRXNPFEDSA-N 2 1 343.902 3.702 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315984 1134745359 /nfs/dbraw/zinc/74/53/59/1134745359.db2.gz RZLLJUDEPCKKNU-UHFFFAOYSA-N 2 1 333.426 3.815 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(c2)C[NH2+]C4)C3)cc1 ZINC001170332835 1134751475 /nfs/dbraw/zinc/75/14/75/1134751475.db2.gz HKNMXVPDXSCGPI-DKUWSORSSA-N 2 1 333.479 3.897 20 0 EHADMP CO[C@@H]1CCC[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000792874539 1134808466 /nfs/dbraw/zinc/80/84/66/1134808466.db2.gz UQDFBHNTSWFWQG-TZIWHRDSSA-N 2 1 345.531 3.834 20 0 EHADMP CC(C)(C)Oc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001192234506 1134989343 /nfs/dbraw/zinc/98/93/43/1134989343.db2.gz RKSGAGCVQQXEMF-UHFFFAOYSA-N 2 1 325.456 3.581 20 0 EHADMP CCOC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716692372 1134989916 /nfs/dbraw/zinc/98/99/16/1134989916.db2.gz LKCBSFFIUUGHLG-WOZUAGRISA-N 2 1 330.516 3.690 20 0 EHADMP COc1c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001205591461 1135000587 /nfs/dbraw/zinc/00/05/87/1135000587.db2.gz NFOQWYSWPCHPKA-OAHLLOKOSA-N 2 1 335.250 3.655 20 0 EHADMP COc1c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001205591461 1135000593 /nfs/dbraw/zinc/00/05/93/1135000593.db2.gz NFOQWYSWPCHPKA-OAHLLOKOSA-N 2 1 335.250 3.655 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1)CC(C)C ZINC001192489645 1135028619 /nfs/dbraw/zinc/02/86/19/1135028619.db2.gz HRBYPOVERDCZHT-IBGZPJMESA-N 2 1 340.552 3.608 20 0 EHADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000716732688 1135180418 /nfs/dbraw/zinc/18/04/18/1135180418.db2.gz QIGBKCMCOPLEAZ-WSWWRLHASA-N 2 1 342.527 3.834 20 0 EHADMP C[N@H+](CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21)Cc1ccccc1 ZINC000806128654 1135396434 /nfs/dbraw/zinc/39/64/34/1135396434.db2.gz VECOPQODKGVIAM-QGZVFWFLSA-N 2 1 329.875 3.834 20 0 EHADMP C[N@@H+](CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21)Cc1ccccc1 ZINC000806128654 1135396437 /nfs/dbraw/zinc/39/64/37/1135396437.db2.gz VECOPQODKGVIAM-QGZVFWFLSA-N 2 1 329.875 3.834 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CCO ZINC001195938730 1135486623 /nfs/dbraw/zinc/48/66/23/1135486623.db2.gz SMMDYWRPFDVHSK-NQIIRXRSSA-N 2 1 330.516 3.655 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC3CC3)C2)ccn1 ZINC001196393801 1135554404 /nfs/dbraw/zinc/55/44/04/1135554404.db2.gz RZOBFFBMVFTLBZ-FQEVSTJZSA-N 2 1 331.504 3.565 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196936881 1135631460 /nfs/dbraw/zinc/63/14/60/1135631460.db2.gz VUMQFMCLYQXZOR-OAQYLSRUSA-N 2 1 330.516 3.919 20 0 EHADMP CCCCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C ZINC000808696032 1135724830 /nfs/dbraw/zinc/72/48/30/1135724830.db2.gz SNSKFNVRBQTHQN-SFHVURJKSA-N 2 1 339.568 3.514 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cscc3Br)C2)CC1 ZINC000809660926 1135869912 /nfs/dbraw/zinc/86/99/12/1135869912.db2.gz XSXDPISQMVCEBO-UHFFFAOYSA-N 2 1 343.334 3.818 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001199344003 1135896454 /nfs/dbraw/zinc/89/64/54/1135896454.db2.gz BGDCUZGYUZVXLE-IBGZPJMESA-N 2 1 340.515 3.676 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)CCc2ccccc2)CC1 ZINC001200970955 1135969868 /nfs/dbraw/zinc/96/98/68/1135969868.db2.gz GCHDZAWYPUTJQQ-IBGZPJMESA-N 2 1 332.532 3.734 20 0 EHADMP CC(C)CC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201617384 1136047479 /nfs/dbraw/zinc/04/74/79/1136047479.db2.gz JCTBXKIIYZODFY-HXUWFJFHSA-N 2 1 330.516 3.788 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000850031751 1136201114 /nfs/dbraw/zinc/20/11/14/1136201114.db2.gz VOCDXUARGKHQOR-QGZVFWFLSA-N 2 1 339.483 3.754 20 0 EHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000813631051 1136354332 /nfs/dbraw/zinc/35/43/32/1136354332.db2.gz USBOHAZASRAGOC-OAHLLOKOSA-N 2 1 325.456 3.554 20 0 EHADMP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880533 1136372189 /nfs/dbraw/zinc/37/21/89/1136372189.db2.gz GPPDXCRPGLUVOK-KXEVLKFVSA-N 2 1 328.500 3.587 20 0 EHADMP CC1([NH+]2CCCC2)CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170717743 1136386169 /nfs/dbraw/zinc/38/61/69/1136386169.db2.gz WSYXLVKRHKGXCC-KRWDZBQOSA-N 2 1 334.454 3.772 20 0 EHADMP Clc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(Cl)n1 ZINC000852754129 1136483983 /nfs/dbraw/zinc/48/39/83/1136483983.db2.gz QFJZQRKXDYKBIQ-CQSZACIVSA-N 2 1 328.287 3.600 20 0 EHADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc2ccccc21 ZINC000815054399 1136540282 /nfs/dbraw/zinc/54/02/82/1136540282.db2.gz JVNKETPNVTZUGQ-GCJKJVERSA-N 2 1 338.495 3.681 20 0 EHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000854224715 1136599788 /nfs/dbraw/zinc/59/97/88/1136599788.db2.gz PWJYAYZXSZLXJM-KMZOKZLKSA-N 2 1 344.396 3.982 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2C)[C@H](C)C1 ZINC000815580406 1136614009 /nfs/dbraw/zinc/61/40/09/1136614009.db2.gz JSDSAJQRWJGUOO-UWVAXJGDSA-N 2 1 336.495 3.922 20 0 EHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000815615350 1136619043 /nfs/dbraw/zinc/61/90/43/1136619043.db2.gz NYSXJRPDZOIURF-UZLBHIALSA-N 2 1 342.458 3.552 20 0 EHADMP CC1(C)OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000815629297 1136621512 /nfs/dbraw/zinc/62/15/12/1136621512.db2.gz ZFLAWBYPZONTIZ-RAFMOHDBSA-N 2 1 328.500 3.729 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170824253 1136715749 /nfs/dbraw/zinc/71/57/49/1136715749.db2.gz XIMMAQRWNZIRLL-PIKOESSRSA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170824253 1136715751 /nfs/dbraw/zinc/71/57/51/1136715751.db2.gz XIMMAQRWNZIRLL-PIKOESSRSA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170824253 1136715754 /nfs/dbraw/zinc/71/57/54/1136715754.db2.gz XIMMAQRWNZIRLL-PIKOESSRSA-N 2 1 348.556 3.850 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCCCCC3)C2)ccn1 ZINC000856552939 1136794153 /nfs/dbraw/zinc/79/41/53/1136794153.db2.gz ISYKJPQVLWYCKD-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CCCCCC3)C2)ccn1 ZINC000856552939 1136794157 /nfs/dbraw/zinc/79/41/57/1136794157.db2.gz ISYKJPQVLWYCKD-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCCCCC3)C2)ccn1 ZINC000856552939 1136794161 /nfs/dbraw/zinc/79/41/61/1136794161.db2.gz ISYKJPQVLWYCKD-NRFANRHFSA-N 2 1 345.531 3.957 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000856591281 1136797490 /nfs/dbraw/zinc/79/74/90/1136797490.db2.gz LZJQEXAZNJSVKU-DYESRHJHSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000856591281 1136797494 /nfs/dbraw/zinc/79/74/94/1136797494.db2.gz LZJQEXAZNJSVKU-DYESRHJHSA-N 2 1 339.483 3.748 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)ccc1OC ZINC000817966473 1136853422 /nfs/dbraw/zinc/85/34/22/1136853422.db2.gz OLTDHRIJRVFKKK-LAUBAEHRSA-N 2 1 347.547 3.577 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](CN)C2CCCC2)ccc1OC ZINC000817981591 1136854756 /nfs/dbraw/zinc/85/47/56/1136854756.db2.gz LRRUBNFAHADDDV-OXJNMPFZSA-N 2 1 347.547 3.705 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000818338820 1136872297 /nfs/dbraw/zinc/87/22/97/1136872297.db2.gz BYBHPQJVZQJQKO-POHUPDAJSA-N 2 1 342.527 3.692 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982895 1136896257 /nfs/dbraw/zinc/89/62/57/1136896257.db2.gz VBSORODYPHUOEE-RBBKRZOGSA-N 2 1 338.495 3.530 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857847535 1136911814 /nfs/dbraw/zinc/91/18/14/1136911814.db2.gz QNCHOJMTWYFQJX-FQEVSTJZSA-N 2 1 338.499 3.809 20 0 EHADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857847535 1136911816 /nfs/dbraw/zinc/91/18/16/1136911816.db2.gz QNCHOJMTWYFQJX-FQEVSTJZSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3cn[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000857858500 1136914043 /nfs/dbraw/zinc/91/40/43/1136914043.db2.gz NRONLRXBEVRMPT-YVWKXTFCSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858500 1136914046 /nfs/dbraw/zinc/91/40/46/1136914046.db2.gz NRONLRXBEVRMPT-YVWKXTFCSA-N 2 1 338.499 3.677 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858500 1136914049 /nfs/dbraw/zinc/91/40/49/1136914049.db2.gz NRONLRXBEVRMPT-YVWKXTFCSA-N 2 1 338.499 3.677 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000858166177 1136945550 /nfs/dbraw/zinc/94/55/50/1136945550.db2.gz BLACBKCDTWNZMR-IBGZPJMESA-N 2 1 327.447 3.613 20 0 EHADMP Fc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000858166177 1136945551 /nfs/dbraw/zinc/94/55/51/1136945551.db2.gz BLACBKCDTWNZMR-IBGZPJMESA-N 2 1 327.447 3.613 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1(C)C ZINC000858167476 1136945996 /nfs/dbraw/zinc/94/59/96/1136945996.db2.gz RPBPTEJQQNEHGM-NJYVYQBISA-N 2 1 338.495 3.924 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1(C)C ZINC000858167476 1136945998 /nfs/dbraw/zinc/94/59/98/1136945998.db2.gz RPBPTEJQQNEHGM-NJYVYQBISA-N 2 1 338.495 3.924 20 0 EHADMP C[C@H]1CC[N@@H+](CCOc2ccc(N[C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000858397104 1136964472 /nfs/dbraw/zinc/96/44/72/1136964472.db2.gz IZCWARIASWPKMK-HKUYNNGSSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397104 1136964475 /nfs/dbraw/zinc/96/44/75/1136964475.db2.gz IZCWARIASWPKMK-HKUYNNGSSA-N 2 1 345.531 3.692 20 0 EHADMP C[C@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000858397104 1136964477 /nfs/dbraw/zinc/96/44/77/1136964477.db2.gz IZCWARIASWPKMK-HKUYNNGSSA-N 2 1 345.531 3.692 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)CC1 ZINC000824332353 1137132903 /nfs/dbraw/zinc/13/29/03/1137132903.db2.gz INFUEKFHJZWKAE-UHFFFAOYSA-N 2 1 333.863 3.789 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171063692 1137150129 /nfs/dbraw/zinc/15/01/29/1137150129.db2.gz OQAZSXPNRKXMNN-WFASDCNBSA-N 2 1 327.299 3.782 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136971636 1137160746 /nfs/dbraw/zinc/16/07/46/1137160746.db2.gz JZJXPMIUPIDMEQ-UHFFFAOYSA-N 2 1 334.467 3.919 20 0 EHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000429551684 1137162687 /nfs/dbraw/zinc/16/26/87/1137162687.db2.gz VOIULADXDDWEKA-OAHLLOKOSA-N 2 1 330.394 3.544 20 0 EHADMP Fc1cccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984439 1137164221 /nfs/dbraw/zinc/16/42/21/1137164221.db2.gz LEQFGUQRKGRFJW-OALUTQOASA-N 2 1 349.453 3.871 20 0 EHADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@@H](O)C[NH2+]C)c2)cc1 ZINC000863691837 1137199801 /nfs/dbraw/zinc/19/98/01/1137199801.db2.gz MLRDNTVTSDFEOX-VXKWHMMOSA-N 2 1 338.495 3.981 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000865778778 1137311013 /nfs/dbraw/zinc/31/10/13/1137311013.db2.gz YWPWOBCHIPXZOG-GIVPXCGWSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000865778778 1137311014 /nfs/dbraw/zinc/31/10/14/1137311014.db2.gz YWPWOBCHIPXZOG-GIVPXCGWSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866281240 1137342318 /nfs/dbraw/zinc/34/23/18/1137342318.db2.gz GDOXNEJAGFCPDG-KNKQGSTJSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866281240 1137342319 /nfs/dbraw/zinc/34/23/19/1137342319.db2.gz GDOXNEJAGFCPDG-KNKQGSTJSA-N 2 1 337.511 3.903 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866337106 1137346882 /nfs/dbraw/zinc/34/68/82/1137346882.db2.gz ORJGCSAZKHJSQI-DXIQSLLYSA-N 2 1 337.511 3.903 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1cccc(F)c1)c1ccccc1F ZINC000866341307 1137347331 /nfs/dbraw/zinc/34/73/31/1137347331.db2.gz MSOLBZDZLFBWIE-FQEVSTJZSA-N 2 1 341.405 3.814 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000846813526 1137368897 /nfs/dbraw/zinc/36/88/97/1137368897.db2.gz HJPTXWCQVGCGLP-CTNGQTDRSA-N 2 1 341.499 3.721 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000846813526 1137368899 /nfs/dbraw/zinc/36/88/99/1137368899.db2.gz HJPTXWCQVGCGLP-CTNGQTDRSA-N 2 1 341.499 3.721 20 0 EHADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000866668904 1137373156 /nfs/dbraw/zinc/37/31/56/1137373156.db2.gz LFCAOHKSSKGSSR-CYBMUJFWSA-N 2 1 328.287 3.600 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000866703207 1137374740 /nfs/dbraw/zinc/37/47/40/1137374740.db2.gz GLUGKKIEQCKMGB-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000866703207 1137374741 /nfs/dbraw/zinc/37/47/41/1137374741.db2.gz GLUGKKIEQCKMGB-LJQANCHMSA-N 2 1 331.435 3.678 20 0 EHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171324024 1137420094 /nfs/dbraw/zinc/42/00/94/1137420094.db2.gz XOYTYSPLBGNAKJ-HNNXBMFYSA-N 2 1 336.907 3.622 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171324024 1137420095 /nfs/dbraw/zinc/42/00/95/1137420095.db2.gz XOYTYSPLBGNAKJ-HNNXBMFYSA-N 2 1 336.907 3.622 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282767575 1137447119 /nfs/dbraw/zinc/44/71/19/1137447119.db2.gz JEEJZQAILGUULL-UHFFFAOYSA-N 2 1 340.515 3.702 20 0 EHADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390802835 1137457318 /nfs/dbraw/zinc/45/73/18/1137457318.db2.gz RYCFFSZMOLFEMZ-DZGCQCFKSA-N 2 1 332.435 3.740 20 0 EHADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716635328 1137488062 /nfs/dbraw/zinc/48/80/62/1137488062.db2.gz FHQMEITZNRZDQH-UHZRXMQZSA-N 2 1 330.541 3.913 20 0 EHADMP CC(C)OCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716688806 1137488461 /nfs/dbraw/zinc/48/84/61/1137488461.db2.gz BCAVXFAZMFXLFQ-ACRUOGEOSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716708578 1137488575 /nfs/dbraw/zinc/48/85/75/1137488575.db2.gz RCHROVLMKOJLDY-NNWRFLSQSA-N 2 1 335.495 3.575 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CCO2 ZINC001171624349 1137501470 /nfs/dbraw/zinc/50/14/70/1137501470.db2.gz RJWFKNITTFMWED-QGZVFWFLSA-N 2 1 332.488 3.760 20 0 EHADMP Cc1ccnc(O[C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)c1 ZINC001171641687 1137504522 /nfs/dbraw/zinc/50/45/22/1137504522.db2.gz SZZBOQYUOBCRNF-SFHVURJKSA-N 2 1 345.531 3.885 20 0 EHADMP CN(CC[N@@H+](C)Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641321 1137504864 /nfs/dbraw/zinc/50/48/64/1137504864.db2.gz OJUULDVACQGBIM-UHFFFAOYSA-N 2 1 331.548 3.702 20 0 EHADMP C[C@H]1C[C@@H](n2ccc3cc(CC[NH3+])ccc32)C[N@H+]1Cc1ccccc1 ZINC001171733722 1137507163 /nfs/dbraw/zinc/50/71/63/1137507163.db2.gz YGRSKECQCBOIDA-LAUBAEHRSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870867723 1137513649 /nfs/dbraw/zinc/51/36/49/1137513649.db2.gz KAFVTRAWNHQCRF-NXHRZFHOSA-N 2 1 329.488 3.517 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970150 1137523562 /nfs/dbraw/zinc/52/35/62/1137523562.db2.gz YYRKDQHZZFDWAN-FQEVSTJZSA-N 3 1 331.548 3.751 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171970150 1137523564 /nfs/dbraw/zinc/52/35/64/1137523564.db2.gz YYRKDQHZZFDWAN-FQEVSTJZSA-N 2 1 331.548 3.751 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171974944 1137524817 /nfs/dbraw/zinc/52/48/17/1137524817.db2.gz BDQQMWVGHUQVOY-CTNGQTDRSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCCC[C@](C)(O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974944 1137524819 /nfs/dbraw/zinc/52/48/19/1137524819.db2.gz BDQQMWVGHUQVOY-CTNGQTDRSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974944 1137524820 /nfs/dbraw/zinc/52/48/20/1137524820.db2.gz BDQQMWVGHUQVOY-CTNGQTDRSA-N 2 1 330.516 3.667 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH+]1Cc1ccccc1 ZINC001171974944 1137524822 /nfs/dbraw/zinc/52/48/22/1137524822.db2.gz BDQQMWVGHUQVOY-CTNGQTDRSA-N 2 1 330.516 3.667 20 0 EHADMP CN(CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984138 1137527036 /nfs/dbraw/zinc/52/70/36/1137527036.db2.gz IHVXWJMBGCCREM-OAQYLSRUSA-N 2 1 343.559 3.847 20 0 EHADMP CC1(C)C[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985524 1137527316 /nfs/dbraw/zinc/52/73/16/1137527316.db2.gz XOTCWLBSELCOKV-SFTDATJTSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]23CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001171987814 1137527940 /nfs/dbraw/zinc/52/79/40/1137527940.db2.gz KDRBBNUGNLQIBU-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]23CCOC3)CC[N@H+]1Cc1ccccc1 ZINC001171987814 1137527942 /nfs/dbraw/zinc/52/79/42/1137527942.db2.gz KDRBBNUGNLQIBU-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987814 1137527944 /nfs/dbraw/zinc/52/79/44/1137527944.db2.gz KDRBBNUGNLQIBU-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@]23CCOC3)CC[NH+]1Cc1ccccc1 ZINC001171987814 1137527945 /nfs/dbraw/zinc/52/79/45/1137527945.db2.gz KDRBBNUGNLQIBU-FPOVZHCZSA-N 2 1 328.500 3.685 20 0 EHADMP C[NH+](C)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076507 1137530430 /nfs/dbraw/zinc/53/04/30/1137530430.db2.gz DTKLISNGUCSBBR-ZBYYUNFXSA-N 2 1 341.543 3.598 20 0 EHADMP COC1CC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078930 1137530933 /nfs/dbraw/zinc/53/09/33/1137530933.db2.gz KFLSHNWHWRJQGU-UMYVSVPQSA-N 2 1 328.500 3.587 20 0 EHADMP COC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172079743 1137531169 /nfs/dbraw/zinc/53/11/69/1137531169.db2.gz QLEQUKYYFOBRNG-PMOLBWCYSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)CO1 ZINC001172081438 1137531625 /nfs/dbraw/zinc/53/16/25/1137531625.db2.gz FOBGWXMDUAKQMV-LPOYBJAFSA-N 2 1 328.500 3.681 20 0 EHADMP C[N@H+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062696 1137532883 /nfs/dbraw/zinc/53/28/83/1137532883.db2.gz QSNOQJLDWVWZGN-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062696 1137532885 /nfs/dbraw/zinc/53/28/85/1137532885.db2.gz QSNOQJLDWVWZGN-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062696 1137532887 /nfs/dbraw/zinc/53/28/87/1137532887.db2.gz QSNOQJLDWVWZGN-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062696 1137532888 /nfs/dbraw/zinc/53/28/88/1137532888.db2.gz QSNOQJLDWVWZGN-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062696 1137532890 /nfs/dbraw/zinc/53/28/90/1137532890.db2.gz QSNOQJLDWVWZGN-KJJMTIBFSA-N 2 1 341.543 3.646 20 0 EHADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061728 1137532979 /nfs/dbraw/zinc/53/29/79/1137532979.db2.gz JIEBBAPZWAKTJW-JBINPLMMSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067609 1137534407 /nfs/dbraw/zinc/53/44/07/1137534407.db2.gz DWLYLJKSAPOXGB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067609 1137534409 /nfs/dbraw/zinc/53/44/09/1137534409.db2.gz DWLYLJKSAPOXGB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067609 1137534411 /nfs/dbraw/zinc/53/44/11/1137534411.db2.gz DWLYLJKSAPOXGB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[C@@]1(O)CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067609 1137534412 /nfs/dbraw/zinc/53/44/12/1137534412.db2.gz DWLYLJKSAPOXGB-CIAFKFPVSA-N 2 1 342.527 3.809 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001172127146 1137535204 /nfs/dbraw/zinc/53/52/04/1137535204.db2.gz HCYNETFUYLOEMY-PMOLBWCYSA-N 2 1 340.511 3.683 20 0 EHADMP CN(C1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172134700 1137536210 /nfs/dbraw/zinc/53/62/10/1137536210.db2.gz YQXSGALXNRSIKA-AERCQKQUSA-N 2 1 333.564 3.731 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCCC3)c1)C2 ZINC001172102409 1137536373 /nfs/dbraw/zinc/53/63/73/1137536373.db2.gz MOYMWVLUOXSUEO-ACDBMABISA-N 2 1 327.516 3.782 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3nccs3)cc1)C2 ZINC001172110276 1137536988 /nfs/dbraw/zinc/53/69/88/1137536988.db2.gz MEMQHZKOFUQZOI-NNZMDNLPSA-N 2 1 327.497 3.915 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112963 1137537468 /nfs/dbraw/zinc/53/74/68/1137537468.db2.gz HEHLHXKRDUXSJP-FCIYXJNOSA-N 2 1 335.495 3.908 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112963 1137537470 /nfs/dbraw/zinc/53/74/70/1137537470.db2.gz HEHLHXKRDUXSJP-FCIYXJNOSA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112963 1137537472 /nfs/dbraw/zinc/53/74/72/1137537472.db2.gz HEHLHXKRDUXSJP-FCIYXJNOSA-N 2 1 335.495 3.908 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112963 1137537473 /nfs/dbraw/zinc/53/74/73/1137537473.db2.gz HEHLHXKRDUXSJP-FCIYXJNOSA-N 2 1 335.495 3.908 20 0 EHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122415 1137538978 /nfs/dbraw/zinc/53/89/78/1137538978.db2.gz QBHZZCCCBSVIQT-BMQTXXJKSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172122415 1137538979 /nfs/dbraw/zinc/53/89/79/1137538979.db2.gz QBHZZCCCBSVIQT-BMQTXXJKSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172122415 1137538981 /nfs/dbraw/zinc/53/89/81/1137538981.db2.gz QBHZZCCCBSVIQT-BMQTXXJKSA-N 2 1 344.499 3.554 20 0 EHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172122415 1137538982 /nfs/dbraw/zinc/53/89/82/1137538982.db2.gz QBHZZCCCBSVIQT-BMQTXXJKSA-N 2 1 344.499 3.554 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121337 1137539109 /nfs/dbraw/zinc/53/91/09/1137539109.db2.gz DPCGCTCCCWLHQO-SFNKJDCFSA-N 2 1 331.529 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121337 1137539111 /nfs/dbraw/zinc/53/91/11/1137539111.db2.gz DPCGCTCCCWLHQO-SFNKJDCFSA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121337 1137539113 /nfs/dbraw/zinc/53/91/13/1137539113.db2.gz DPCGCTCCCWLHQO-SFNKJDCFSA-N 2 1 331.529 3.653 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Sc3ccncc3)C1)C2 ZINC001172121337 1137539114 /nfs/dbraw/zinc/53/91/14/1137539114.db2.gz DPCGCTCCCWLHQO-SFNKJDCFSA-N 2 1 331.529 3.653 20 0 EHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)O4)CC3)c1 ZINC001172223920 1137542280 /nfs/dbraw/zinc/54/22/80/1137542280.db2.gz CYTCNFLIRJVPAF-AYHJJNSGSA-N 2 1 346.540 3.746 20 0 EHADMP COCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001172251674 1137544865 /nfs/dbraw/zinc/54/48/65/1137544865.db2.gz UINDKLUBZKDLHY-UHFFFAOYSA-N 2 1 345.314 3.926 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001172251674 1137544867 /nfs/dbraw/zinc/54/48/67/1137544867.db2.gz UINDKLUBZKDLHY-UHFFFAOYSA-N 2 1 345.314 3.926 20 0 EHADMP COCCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001172257516 1137545052 /nfs/dbraw/zinc/54/50/52/1137545052.db2.gz NECKPVSWKYJYHU-UHFFFAOYSA-N 2 1 345.314 3.926 20 0 EHADMP COCCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001172257516 1137545054 /nfs/dbraw/zinc/54/50/54/1137545054.db2.gz NECKPVSWKYJYHU-UHFFFAOYSA-N 2 1 345.314 3.926 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C[C@@H]1C ZINC001172375805 1137549551 /nfs/dbraw/zinc/54/95/51/1137549551.db2.gz RHZHECJSXQFHKD-HBFSDRIKSA-N 2 1 346.515 3.771 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C[C@@H]1C ZINC001172375805 1137549553 /nfs/dbraw/zinc/54/95/53/1137549553.db2.gz RHZHECJSXQFHKD-HBFSDRIKSA-N 2 1 346.515 3.771 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172329204 1137550813 /nfs/dbraw/zinc/55/08/13/1137550813.db2.gz GEKXBKDREPDLPJ-XSLAGTTESA-N 2 1 336.545 3.705 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCOC3(CCCC3)C1)C2 ZINC000872022318 1137565462 /nfs/dbraw/zinc/56/54/62/1137565462.db2.gz XGSSFUZJRPXXSA-FQEVSTJZSA-N 2 1 328.500 3.516 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCOC3(CCCC3)C1)C2 ZINC000872022318 1137565463 /nfs/dbraw/zinc/56/54/63/1137565463.db2.gz XGSSFUZJRPXXSA-FQEVSTJZSA-N 2 1 328.500 3.516 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872032477 1137566503 /nfs/dbraw/zinc/56/65/03/1137566503.db2.gz UXCGYBSHKQTXPR-OXJNMPFZSA-N 2 1 347.478 3.593 20 0 EHADMP c1ccc2c(c1)CCCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000872033828 1137566720 /nfs/dbraw/zinc/56/67/20/1137566720.db2.gz GMVCNUJENHYEMN-YADHBBJMSA-N 2 1 342.527 3.557 20 0 EHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000872155809 1137573911 /nfs/dbraw/zinc/57/39/11/1137573911.db2.gz ZOQJUUJTWICJQA-GFCCVEGCSA-N 2 1 346.302 3.771 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1C(F)(F)F ZINC000872149807 1137573924 /nfs/dbraw/zinc/57/39/24/1137573924.db2.gz BLEYBHSIDAKXQM-SJCJKPOMSA-N 2 1 332.369 3.825 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157724 1137574226 /nfs/dbraw/zinc/57/42/26/1137574226.db2.gz QFBSXZAMIGZIAD-CKEIUWERSA-N 2 1 332.492 3.628 20 0 EHADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157724 1137574227 /nfs/dbraw/zinc/57/42/27/1137574227.db2.gz QFBSXZAMIGZIAD-CKEIUWERSA-N 2 1 332.492 3.628 20 0 EHADMP CC(C)n1ncc2cc(C[N@@H+](C)CCCCCC[NH3+])c(Cl)nc21 ZINC000873231804 1137594466 /nfs/dbraw/zinc/59/44/66/1137594466.db2.gz VZPAPYPQAPJRNM-UHFFFAOYSA-N 2 1 337.899 3.617 20 0 EHADMP CCOP(=O)(CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OCC ZINC000876754682 1137660489 /nfs/dbraw/zinc/66/04/89/1137660489.db2.gz HEAHLCVQOHBZJQ-QGZVFWFLSA-N 2 1 346.452 3.593 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000876969453 1137666605 /nfs/dbraw/zinc/66/66/05/1137666605.db2.gz PVCDSQZDMMNHBM-YFDQIPFUSA-N 2 1 332.469 3.665 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000877058648 1137669050 /nfs/dbraw/zinc/66/90/50/1137669050.db2.gz DJCQHEGFUHZEAS-YZGWKJHDSA-N 2 1 340.467 3.579 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000877058648 1137669051 /nfs/dbraw/zinc/66/90/51/1137669051.db2.gz DJCQHEGFUHZEAS-YZGWKJHDSA-N 2 1 340.467 3.579 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119865 1137670703 /nfs/dbraw/zinc/67/07/03/1137670703.db2.gz BSPYYARBUWVNIU-WBVHZDCISA-N 2 1 344.890 3.520 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000877585321 1137682049 /nfs/dbraw/zinc/68/20/49/1137682049.db2.gz SHGCISBYYFVUDU-KRWDZBQOSA-N 2 1 347.503 3.855 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878157387 1137704929 /nfs/dbraw/zinc/70/49/29/1137704929.db2.gz ZVFVWTSHAKPTCO-CEWLAPEOSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878157387 1137704930 /nfs/dbraw/zinc/70/49/30/1137704930.db2.gz ZVFVWTSHAKPTCO-CEWLAPEOSA-N 2 1 328.500 3.570 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878157387 1137704931 /nfs/dbraw/zinc/70/49/31/1137704931.db2.gz ZVFVWTSHAKPTCO-CEWLAPEOSA-N 2 1 328.500 3.570 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)O2)cc1 ZINC000878286895 1137709969 /nfs/dbraw/zinc/70/99/69/1137709969.db2.gz UXKYDZRDDJGJAY-NMIHRBCNSA-N 2 1 340.511 3.855 20 0 EHADMP CC1(C)CCC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000878529203 1137718933 /nfs/dbraw/zinc/71/89/33/1137718933.db2.gz VQCYMNOLGVVCRS-SFHVURJKSA-N 2 1 331.504 3.747 20 0 EHADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000879570032 1137751385 /nfs/dbraw/zinc/75/13/85/1137751385.db2.gz DQBSOTZYJPTDKT-RDTXWAMCSA-N 2 1 331.847 3.521 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882889220 1137837070 /nfs/dbraw/zinc/83/70/70/1137837070.db2.gz VAYXGLCLZSTHME-UHFFFAOYSA-N 2 1 340.423 3.516 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)O2)cc1 ZINC000883429152 1137860422 /nfs/dbraw/zinc/86/04/22/1137860422.db2.gz NCZVYOQHUJNAPL-BQJUDKOJSA-N 2 1 328.500 3.618 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(CO)c2ccccc2)cc1 ZINC000348254848 1137883496 /nfs/dbraw/zinc/88/34/96/1137883496.db2.gz ITFUAKWLYMTHGF-JTSKRJEESA-N 2 1 349.478 3.782 20 0 EHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348284864 1137896588 /nfs/dbraw/zinc/89/65/88/1137896588.db2.gz LGMBDHZZMQMMIG-OLMNPRSZSA-N 2 1 341.455 3.563 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000885942387 1138027328 /nfs/dbraw/zinc/02/73/28/1138027328.db2.gz NJIQONCZYSQWLO-DLBZAZTESA-N 2 1 331.435 3.757 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000056521997 1138058085 /nfs/dbraw/zinc/05/80/85/1138058085.db2.gz ODHHIJDGLKJVOQ-UHFFFAOYSA-N 2 1 348.878 3.554 20 0 EHADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886623729 1138103238 /nfs/dbraw/zinc/10/32/38/1138103238.db2.gz MLBMBFIABNKSPL-UQVNRYHBSA-N 2 1 328.500 3.585 20 0 EHADMP CSC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000090112728 1138209511 /nfs/dbraw/zinc/20/95/11/1138209511.db2.gz FVJAJWMMGNSTRR-OAHLLOKOSA-N 2 1 345.512 3.744 20 0 EHADMP Cc1cc2ncc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000093398285 1138236759 /nfs/dbraw/zinc/23/67/59/1138236759.db2.gz OMPNHBRUKHZDIN-RDJZCZTQSA-N 2 1 343.519 3.509 20 0 EHADMP CCOc1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000093643908 1138239203 /nfs/dbraw/zinc/23/92/03/1138239203.db2.gz QLSSIBTYINNABR-HIFRSBDPSA-N 2 1 342.430 3.601 20 0 EHADMP Fc1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1OC(F)(F)F ZINC001202750276 1138271914 /nfs/dbraw/zinc/27/19/14/1138271914.db2.gz QFDQBXVAOYSZHP-UHFFFAOYSA-N 2 1 339.292 3.662 20 0 EHADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984661 1138291757 /nfs/dbraw/zinc/29/17/57/1138291757.db2.gz SZFOGORKXMGIRF-ZWKOTPCHSA-N 2 1 326.525 3.587 20 0 EHADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ccc1Cl ZINC000337252812 1138509035 /nfs/dbraw/zinc/50/90/35/1138509035.db2.gz ORVMGOLLRKISKJ-GOSISDBHSA-N 2 1 349.906 3.747 20 0 EHADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1Cl ZINC000337252812 1138509039 /nfs/dbraw/zinc/50/90/39/1138509039.db2.gz ORVMGOLLRKISKJ-GOSISDBHSA-N 2 1 349.906 3.747 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)CC2)oc1C ZINC000337400717 1138557354 /nfs/dbraw/zinc/55/73/54/1138557354.db2.gz QWZVYWUVOJXBAG-NLWGTHIKSA-N 2 1 331.504 3.672 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000337568737 1138608169 /nfs/dbraw/zinc/60/81/69/1138608169.db2.gz ZORDPIGMPULEQP-VUCTXSBTSA-N 2 1 335.398 3.992 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1SC ZINC000134882158 1138710077 /nfs/dbraw/zinc/71/00/77/1138710077.db2.gz HKUABMWXJMNKKO-AEFFLSMTSA-N 2 1 346.540 3.866 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1SC ZINC000134882158 1138710078 /nfs/dbraw/zinc/71/00/78/1138710078.db2.gz HKUABMWXJMNKKO-AEFFLSMTSA-N 2 1 346.540 3.866 20 0 EHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1SC ZINC000134882158 1138710079 /nfs/dbraw/zinc/71/00/79/1138710079.db2.gz HKUABMWXJMNKKO-AEFFLSMTSA-N 2 1 346.540 3.866 20 0 EHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1SC ZINC000134882158 1138710080 /nfs/dbraw/zinc/71/00/80/1138710080.db2.gz HKUABMWXJMNKKO-AEFFLSMTSA-N 2 1 346.540 3.866 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)[C@H](C)C1 ZINC000153077755 1139121518 /nfs/dbraw/zinc/12/15/18/1139121518.db2.gz MHCPXMJNCNQLSN-BVOGOJNSSA-N 2 1 330.516 3.783 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000177814000 1139643535 /nfs/dbraw/zinc/64/35/35/1139643535.db2.gz PYVWTKGCVDXLMA-NHYWBVRUSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(Br)c2)CCN1C ZINC000177814000 1139643537 /nfs/dbraw/zinc/64/35/37/1139643537.db2.gz PYVWTKGCVDXLMA-NHYWBVRUSA-N 2 1 329.257 3.503 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)CCN1C ZINC000177814000 1139643539 /nfs/dbraw/zinc/64/35/39/1139643539.db2.gz PYVWTKGCVDXLMA-NHYWBVRUSA-N 2 1 329.257 3.503 20 0 EHADMP CCC[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180151168 1139813689 /nfs/dbraw/zinc/81/36/89/1139813689.db2.gz RKWNKEUYFUGLTI-XSLAUPDRSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1cnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000180466703 1139836616 /nfs/dbraw/zinc/83/66/16/1139836616.db2.gz WIHFPFLVSMIVBX-UHFFFAOYSA-N 2 1 329.513 3.796 20 0 EHADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000180466703 1139836627 /nfs/dbraw/zinc/83/66/27/1139836627.db2.gz WIHFPFLVSMIVBX-UHFFFAOYSA-N 2 1 329.513 3.796 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000182232513 1139960417 /nfs/dbraw/zinc/96/04/17/1139960417.db2.gz XPYFMKODGGIAFY-IIBYNOLFSA-N 2 1 342.458 3.633 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1nccn1C ZINC000182266495 1139961682 /nfs/dbraw/zinc/96/16/82/1139961682.db2.gz FNVIUKAYCQASDL-FQEVSTJZSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000182270090 1139962223 /nfs/dbraw/zinc/96/22/23/1139962223.db2.gz UKDWCLKRPFYRTH-GHTZIAJQSA-N 2 1 342.458 3.633 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155513 1140017054 /nfs/dbraw/zinc/01/70/54/1140017054.db2.gz XGWPKTBSLCFYLG-JSXRDJHFSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183193420 1140019411 /nfs/dbraw/zinc/01/94/11/1140019411.db2.gz FZTUNDCNAYGTAG-IXDOHACOSA-N 2 1 340.515 3.877 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193420 1140019418 /nfs/dbraw/zinc/01/94/18/1140019418.db2.gz FZTUNDCNAYGTAG-IXDOHACOSA-N 2 1 340.515 3.877 20 0 EHADMP Cc1ncsc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183672970 1140052558 /nfs/dbraw/zinc/05/25/58/1140052558.db2.gz WLDRDUFCOKDTOB-CYBMUJFWSA-N 2 1 326.469 3.839 20 0 EHADMP CCC[NH+]1CCC([NH2+]C[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC000186379463 1140200875 /nfs/dbraw/zinc/20/08/75/1140200875.db2.gz BBQCBEMBPKVYCG-FQEVSTJZSA-N 2 1 334.504 3.625 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000192747457 1140549720 /nfs/dbraw/zinc/54/97/20/1140549720.db2.gz IAVYMJOWGVLRRE-NQIIRXRSSA-N 2 1 347.522 3.625 20 0 EHADMP C[C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268866567 1141012222 /nfs/dbraw/zinc/01/22/22/1141012222.db2.gz NVKLJADDDKOWMR-XMSQKQJNSA-N 2 1 341.543 3.504 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268991672 1141040419 /nfs/dbraw/zinc/04/04/19/1141040419.db2.gz RMYJCDBGKPZSAV-JBACZVJFSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268991672 1141040427 /nfs/dbraw/zinc/04/04/27/1141040427.db2.gz RMYJCDBGKPZSAV-JBACZVJFSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000269008264 1141045721 /nfs/dbraw/zinc/04/57/21/1141045721.db2.gz LUXPHSTXFHPSBD-QNDFHXLGSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000269008264 1141045729 /nfs/dbraw/zinc/04/57/29/1141045729.db2.gz LUXPHSTXFHPSBD-QNDFHXLGSA-N 2 1 328.500 3.587 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269015477 1141047071 /nfs/dbraw/zinc/04/70/71/1141047071.db2.gz YEZRXWCWEYZJAE-ICSRJNTNSA-N 2 1 332.532 3.818 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269015477 1141047079 /nfs/dbraw/zinc/04/70/79/1141047079.db2.gz YEZRXWCWEYZJAE-ICSRJNTNSA-N 2 1 332.532 3.818 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000269045905 1141054817 /nfs/dbraw/zinc/05/48/17/1141054817.db2.gz YKMODVNGPCKPOG-KXBFYZLASA-N 2 1 343.540 3.803 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617178 1141127486 /nfs/dbraw/zinc/12/74/86/1141127486.db2.gz CVLDYGCTFWCNCA-VAMGGRTRSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617178 1141127489 /nfs/dbraw/zinc/12/74/89/1141127489.db2.gz CVLDYGCTFWCNCA-VAMGGRTRSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617178 1141127493 /nfs/dbraw/zinc/12/74/93/1141127493.db2.gz CVLDYGCTFWCNCA-VAMGGRTRSA-N 2 1 334.479 3.588 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402510 1141218104 /nfs/dbraw/zinc/21/81/04/1141218104.db2.gz AHLZOWSTHJQZED-KGVIQGDOSA-N 2 1 338.495 3.883 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402510 1141218107 /nfs/dbraw/zinc/21/81/07/1141218107.db2.gz AHLZOWSTHJQZED-KGVIQGDOSA-N 2 1 338.495 3.883 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000270880188 1141279059 /nfs/dbraw/zinc/27/90/59/1141279059.db2.gz NKOCTGPTHBBBTC-UXHICEINSA-N 2 1 327.472 3.560 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000270880188 1141279063 /nfs/dbraw/zinc/27/90/63/1141279063.db2.gz NKOCTGPTHBBBTC-UXHICEINSA-N 2 1 327.472 3.560 20 0 EHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037000371 524885488 /nfs/dbraw/zinc/88/54/88/524885488.db2.gz UKCMUDACRYYRCR-RJCAOGMDSA-N 2 1 337.305 3.595 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cnc(CCc3ccccc3)s2)CC[N@H+]1C ZINC000449032079 1032070946 /nfs/dbraw/zinc/07/09/46/1032070946.db2.gz WOQBZJQPTKJMGL-FUHWJXTLSA-N 2 1 343.540 3.843 20 0 EHADMP CO[C@@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000339407510 1014368326 /nfs/dbraw/zinc/36/83/26/1014368326.db2.gz ODSZIUYICJXACI-LSDHHAIUSA-N 2 1 345.314 3.754 20 0 EHADMP CO[C@@H]1CC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000339407510 1014368336 /nfs/dbraw/zinc/36/83/36/1014368336.db2.gz ODSZIUYICJXACI-LSDHHAIUSA-N 2 1 345.314 3.754 20 0 EHADMP CN(CCc1cncn1C)Cc1cc(Br)ccc1Cl ZINC000459423435 1032104595 /nfs/dbraw/zinc/10/45/95/1032104595.db2.gz OZOGJOKWUVLTNP-UHFFFAOYSA-N 2 1 342.668 3.511 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000182543225 1032107983 /nfs/dbraw/zinc/10/79/83/1032107983.db2.gz RMZBYIYTWPGKRD-MRXNPFEDSA-N 2 1 334.504 3.737 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274802218 1015244883 /nfs/dbraw/zinc/24/48/83/1015244883.db2.gz VNEMOKACCNCXHU-XCJLJZCSSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179492922 1015409108 /nfs/dbraw/zinc/40/91/08/1015409108.db2.gz OCHMSZKGEMMYHK-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000179492922 1015409113 /nfs/dbraw/zinc/40/91/13/1015409113.db2.gz OCHMSZKGEMMYHK-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H]1SC ZINC000459429875 1032117195 /nfs/dbraw/zinc/11/71/95/1032117195.db2.gz ILLXOECIQAOHIO-NOENWEJRSA-N 2 1 345.512 3.740 20 0 EHADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208920277 1015602265 /nfs/dbraw/zinc/60/22/65/1015602265.db2.gz KOYGTPIZEQMQJX-NRFANRHFSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208920277 1015602269 /nfs/dbraw/zinc/60/22/69/1015602269.db2.gz KOYGTPIZEQMQJX-NRFANRHFSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208920277 1015602273 /nfs/dbraw/zinc/60/22/73/1015602273.db2.gz KOYGTPIZEQMQJX-NRFANRHFSA-N 2 1 328.500 3.590 20 0 EHADMP CCC(=O)C(C)(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208920277 1015602280 /nfs/dbraw/zinc/60/22/80/1015602280.db2.gz KOYGTPIZEQMQJX-NRFANRHFSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949014 1015669704 /nfs/dbraw/zinc/66/97/04/1015669704.db2.gz UXRVKJMYIYZVAX-HKUYNNGSSA-N 2 1 343.559 3.796 20 0 EHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274949014 1015669706 /nfs/dbraw/zinc/66/97/06/1015669706.db2.gz UXRVKJMYIYZVAX-HKUYNNGSSA-N 3 1 343.559 3.796 20 0 EHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949014 1015669711 /nfs/dbraw/zinc/66/97/11/1015669711.db2.gz UXRVKJMYIYZVAX-HKUYNNGSSA-N 3 1 343.559 3.796 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000624119492 1016480045 /nfs/dbraw/zinc/48/00/45/1016480045.db2.gz CUYHJTZMGFYAPV-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP COC(=O)c1sccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000892696940 1016843165 /nfs/dbraw/zinc/84/31/65/1016843165.db2.gz PMGZJDUAKMHJAK-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP COC(=O)c1sccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000892696940 1016843187 /nfs/dbraw/zinc/84/31/87/1016843187.db2.gz PMGZJDUAKMHJAK-UHFFFAOYSA-N 2 1 346.496 3.665 20 0 EHADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275493438 1016917453 /nfs/dbraw/zinc/91/74/53/1016917453.db2.gz JECIPJUULQOMKT-QWHCGFSZSA-N 2 1 338.282 3.973 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449078962 1032169120 /nfs/dbraw/zinc/16/91/20/1032169120.db2.gz NANGGNBTQGFWPN-VQTJNVASSA-N 2 1 343.559 3.546 20 0 EHADMP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637587 1032193537 /nfs/dbraw/zinc/19/35/37/1032193537.db2.gz SNPGOZXXELOJMX-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637587 1032193540 /nfs/dbraw/zinc/19/35/40/1032193540.db2.gz SNPGOZXXELOJMX-XMSQKQJNSA-N 2 1 338.495 3.976 20 0 EHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000657842742 1032204665 /nfs/dbraw/zinc/20/46/65/1032204665.db2.gz WZVGRGGMKMNXNN-WBVHZDCISA-N 2 1 339.321 3.702 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634923 1032214799 /nfs/dbraw/zinc/21/47/99/1032214799.db2.gz VMSPGPLAPLKWGR-NRSPTQNISA-N 2 1 340.515 3.550 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634923 1032214817 /nfs/dbraw/zinc/21/48/17/1032214817.db2.gz VMSPGPLAPLKWGR-NRSPTQNISA-N 2 1 340.515 3.550 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850242 1032259947 /nfs/dbraw/zinc/25/99/47/1032259947.db2.gz GQZFAUWMWZBDCZ-HUUCEWRRSA-N 2 1 340.458 3.677 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)(C)C(F)F ZINC000657850242 1032259958 /nfs/dbraw/zinc/25/99/58/1032259958.db2.gz GQZFAUWMWZBDCZ-HUUCEWRRSA-N 2 1 340.458 3.677 20 0 EHADMP C[C@@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442955 1032283457 /nfs/dbraw/zinc/28/34/57/1032283457.db2.gz YVTXHJPUZYRKJY-UKRRQHHQSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@@H]([NH2+]Cc1cccnc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442955 1032283461 /nfs/dbraw/zinc/28/34/61/1032283461.db2.gz YVTXHJPUZYRKJY-UKRRQHHQSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@@H](NCc1cc2cccnc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223149 1032340654 /nfs/dbraw/zinc/34/06/54/1032340654.db2.gz FBYPICILOPIDBZ-APWZRJJASA-N 2 1 335.451 3.828 20 0 EHADMP C[C@@H]([NH2+]Cc1cc2cccnc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223149 1032340675 /nfs/dbraw/zinc/34/06/75/1032340675.db2.gz FBYPICILOPIDBZ-APWZRJJASA-N 2 1 335.451 3.828 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000905123460 1032353065 /nfs/dbraw/zinc/35/30/65/1032353065.db2.gz YPMVJSLUGVSOQL-PGRDOPGGSA-N 2 1 338.495 3.844 20 0 EHADMP CC[NH+](CC)CCC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528576815 1032457436 /nfs/dbraw/zinc/45/74/36/1032457436.db2.gz CENUZZIPCVMPRB-UHFFFAOYSA-N 2 1 348.535 3.714 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459744981 1032458905 /nfs/dbraw/zinc/45/89/05/1032458905.db2.gz YILATUFKYKHPEP-ZWKOTPCHSA-N 2 1 345.531 3.849 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449475849 1032596684 /nfs/dbraw/zinc/59/66/84/1032596684.db2.gz FVDISFSFKZVOHI-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000449475849 1032596690 /nfs/dbraw/zinc/59/66/90/1032596690.db2.gz FVDISFSFKZVOHI-HMXCVIKNSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000606432087 1032677550 /nfs/dbraw/zinc/67/75/50/1032677550.db2.gz NQFLTAMARMZYOZ-XQBPLPMBSA-N 2 1 341.543 3.554 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCn3ccc4cc(Cl)ccc43)C2)C1 ZINC000579932999 1017269242 /nfs/dbraw/zinc/26/92/42/1017269242.db2.gz HFCHNCUGQSLGOE-IBGZPJMESA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)C1 ZINC000579932999 1017269248 /nfs/dbraw/zinc/26/92/48/1017269248.db2.gz HFCHNCUGQSLGOE-IBGZPJMESA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)C1 ZINC000579932999 1017269258 /nfs/dbraw/zinc/26/92/58/1017269258.db2.gz HFCHNCUGQSLGOE-IBGZPJMESA-N 2 1 331.891 3.712 20 0 EHADMP Clc1ccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655725233 1017469823 /nfs/dbraw/zinc/46/98/23/1017469823.db2.gz OSCSJOPFIQAJRF-IBGZPJMESA-N 2 1 336.907 3.506 20 0 EHADMP CC(C)(C)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655741042 1017508165 /nfs/dbraw/zinc/50/81/65/1017508165.db2.gz CBQKPBFSCYWBNZ-HXUWFJFHSA-N 2 1 346.515 3.597 20 0 EHADMP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)c1 ZINC000415077755 1017512435 /nfs/dbraw/zinc/51/24/35/1017512435.db2.gz FFXBXFQRRGSKMS-FCHUYYIVSA-N 2 1 346.478 3.514 20 0 EHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071924 1017513898 /nfs/dbraw/zinc/51/38/98/1017513898.db2.gz XBNOUZWKMFJHJS-BZNIZROVSA-N 2 1 343.284 3.626 20 0 EHADMP COc1cccc(Oc2ncccc2C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415079665 1017521360 /nfs/dbraw/zinc/52/13/60/1017521360.db2.gz IFFGGXNSEVLTFY-WBVHZDCISA-N 2 1 341.455 3.503 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000415105928 1017560128 /nfs/dbraw/zinc/56/01/28/1017560128.db2.gz ITTSSEAOTVNHJR-ZWKOTPCHSA-N 2 1 340.870 3.506 20 0 EHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)s2)CCCO1 ZINC000415112347 1017563383 /nfs/dbraw/zinc/56/33/83/1017563383.db2.gz QGCMSFCLONRSDT-CYBMUJFWSA-N 2 1 336.888 3.618 20 0 EHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)s2)CCCO1 ZINC000415112347 1017563391 /nfs/dbraw/zinc/56/33/91/1017563391.db2.gz QGCMSFCLONRSDT-CYBMUJFWSA-N 2 1 336.888 3.618 20 0 EHADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000415108079 1017564673 /nfs/dbraw/zinc/56/46/73/1017564673.db2.gz OQCLFHDRUHOYFT-PBHICJAKSA-N 2 1 329.419 3.633 20 0 EHADMP Cc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000655779614 1017574155 /nfs/dbraw/zinc/57/41/55/1017574155.db2.gz OVMUKJRHTCPZJQ-FQEVSTJZSA-N 2 1 328.500 3.607 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000580302091 1017734212 /nfs/dbraw/zinc/73/42/12/1017734212.db2.gz LRLVTCMIXLECQF-RTWAWAEBSA-N 2 1 342.527 3.846 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000377394683 1017747284 /nfs/dbraw/zinc/74/72/84/1017747284.db2.gz VAFAKTVPJTZFKK-JRGKDQQJSA-N 2 1 328.500 3.587 20 0 EHADMP COc1cccc(C[C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000528751788 1032743484 /nfs/dbraw/zinc/74/34/84/1032743484.db2.gz UTXZOHZFPFDSHH-LJQANCHMSA-N 2 1 327.472 3.687 20 0 EHADMP COc1cccc(C[C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000528751788 1032743495 /nfs/dbraw/zinc/74/34/95/1032743495.db2.gz UTXZOHZFPFDSHH-LJQANCHMSA-N 2 1 327.472 3.687 20 0 EHADMP Cc1nc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)sc1C ZINC000893017942 1018171935 /nfs/dbraw/zinc/17/19/35/1018171935.db2.gz BEMOIQVRYHQWKO-YOEHRIQHSA-N 2 1 335.542 3.994 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000584540052 1018444557 /nfs/dbraw/zinc/44/45/57/1018444557.db2.gz MIXWQOXQIHSZMQ-JOQOYGCGSA-N 2 1 330.501 3.580 20 0 EHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000584540052 1018444563 /nfs/dbraw/zinc/44/45/63/1018444563.db2.gz MIXWQOXQIHSZMQ-JOQOYGCGSA-N 2 1 330.501 3.580 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000580184517 1018755943 /nfs/dbraw/zinc/75/59/43/1018755943.db2.gz GAUPEUGHRZKKPK-YWDUDDICSA-N 2 1 330.516 3.570 20 0 EHADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000580184517 1018755952 /nfs/dbraw/zinc/75/59/52/1018755952.db2.gz GAUPEUGHRZKKPK-YWDUDDICSA-N 2 1 330.516 3.570 20 0 EHADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000124757392 1018940963 /nfs/dbraw/zinc/94/09/63/1018940963.db2.gz AFASGGFMIBNKOX-NRFANRHFSA-N 2 1 347.522 3.815 20 0 EHADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000564824545 1019266048 /nfs/dbraw/zinc/26/60/48/1019266048.db2.gz ITUQLQLSTNXZMK-VNTMZGSJSA-N 2 1 349.950 3.843 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4[nH]3)c2)CCO1 ZINC000683926504 1019289243 /nfs/dbraw/zinc/28/92/43/1019289243.db2.gz IQFGKHPKMDLQTO-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4[nH]3)c2)CCO1 ZINC000683926504 1019289252 /nfs/dbraw/zinc/28/92/52/1019289252.db2.gz IQFGKHPKMDLQTO-KRWDZBQOSA-N 2 1 349.478 3.678 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000429999276 1019449045 /nfs/dbraw/zinc/44/90/45/1019449045.db2.gz BILWKWNMIYLPKI-INIZCTEOSA-N 2 1 336.907 3.950 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000429999276 1019449056 /nfs/dbraw/zinc/44/90/56/1019449056.db2.gz BILWKWNMIYLPKI-INIZCTEOSA-N 2 1 336.907 3.950 20 0 EHADMP Cc1nc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cs1 ZINC000513498832 1019754372 /nfs/dbraw/zinc/75/43/72/1019754372.db2.gz CDKBCRHAIQIUIG-YJBOKZPZSA-N 2 1 329.513 3.842 20 0 EHADMP CC(C)CC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119585 1019943689 /nfs/dbraw/zinc/94/36/89/1019943689.db2.gz MPEUMNOOUCDMSB-RTBURBONSA-N 2 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000926119585 1019943699 /nfs/dbraw/zinc/94/36/99/1019943699.db2.gz MPEUMNOOUCDMSB-RTBURBONSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000926119585 1019943710 /nfs/dbraw/zinc/94/37/10/1019943710.db2.gz MPEUMNOOUCDMSB-RTBURBONSA-N 3 1 335.580 3.740 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000280098076 1020080056 /nfs/dbraw/zinc/08/00/56/1020080056.db2.gz ZTUYWRGBOFQUGQ-INIZCTEOSA-N 2 1 332.517 3.527 20 0 EHADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000280098076 1020080067 /nfs/dbraw/zinc/08/00/67/1020080067.db2.gz ZTUYWRGBOFQUGQ-INIZCTEOSA-N 2 1 332.517 3.527 20 0 EHADMP Cc1nc2ccccc2n1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000280234297 1020218662 /nfs/dbraw/zinc/21/86/62/1020218662.db2.gz MRKMBHPXBOUPAP-UHFFFAOYSA-N 2 1 337.471 3.577 20 0 EHADMP CC[N@@H+](Cc1ccc(COC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818720 1032908883 /nfs/dbraw/zinc/90/88/83/1032908883.db2.gz HOOUCGHTLIALDY-IBGZPJMESA-N 2 1 342.483 3.770 20 0 EHADMP CC[N@H+](Cc1ccc(COC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818720 1032908894 /nfs/dbraw/zinc/90/88/94/1032908894.db2.gz HOOUCGHTLIALDY-IBGZPJMESA-N 2 1 342.483 3.770 20 0 EHADMP CC[NH+](Cc1ccc(COC)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818720 1032908903 /nfs/dbraw/zinc/90/89/03/1032908903.db2.gz HOOUCGHTLIALDY-IBGZPJMESA-N 2 1 342.483 3.770 20 0 EHADMP CC[NH+](Cc1ccc(COC)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818720 1032908911 /nfs/dbraw/zinc/90/89/11/1032908911.db2.gz HOOUCGHTLIALDY-IBGZPJMESA-N 2 1 342.483 3.770 20 0 EHADMP C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155487 1020552564 /nfs/dbraw/zinc/55/25/64/1020552564.db2.gz TXVVFJGZXLPBMQ-GREBRCKQSA-N 2 1 349.522 3.673 20 0 EHADMP C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155487 1020552571 /nfs/dbraw/zinc/55/25/71/1020552571.db2.gz TXVVFJGZXLPBMQ-GREBRCKQSA-N 2 1 349.522 3.673 20 0 EHADMP CC[N@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818762 1032910409 /nfs/dbraw/zinc/91/04/09/1032910409.db2.gz UJUHXZKMECBSBG-IBGZPJMESA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818762 1032910417 /nfs/dbraw/zinc/91/04/17/1032910417.db2.gz UJUHXZKMECBSBG-IBGZPJMESA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818762 1032910431 /nfs/dbraw/zinc/91/04/31/1032910431.db2.gz UJUHXZKMECBSBG-IBGZPJMESA-N 2 1 348.494 3.907 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC2CCCCC2)[C@@H](C)C1 ZINC000501051768 1020671009 /nfs/dbraw/zinc/67/10/09/1020671009.db2.gz LCJDSOYMMPJMDK-PKOBYXMFSA-N 2 1 342.593 3.779 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000430591624 1020820388 /nfs/dbraw/zinc/82/03/88/1020820388.db2.gz OPKXHYPNRFDVRD-UHFFFAOYSA-N 2 1 343.540 3.750 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000154891642 1020923599 /nfs/dbraw/zinc/92/35/99/1020923599.db2.gz FNWKZILAFYRJNS-SLYNCCJLSA-N 2 1 330.516 3.659 20 0 EHADMP c1sc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1C1CCCCC1 ZINC000090046493 1020994062 /nfs/dbraw/zinc/99/40/62/1020994062.db2.gz QSGWSDZFVNFZMF-DLBZAZTESA-N 2 1 333.545 3.950 20 0 EHADMP CC(C)c1ncc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414990588 1021276643 /nfs/dbraw/zinc/27/66/43/1021276643.db2.gz AEEGJMDVLNAJLB-MAUKXSAKSA-N 2 1 347.503 3.889 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)CCCC2)CC1 ZINC000507522151 1021331086 /nfs/dbraw/zinc/33/10/86/1021331086.db2.gz DUIMQIRRGVSDRL-UXHICEINSA-N 2 1 334.548 3.968 20 0 EHADMP COc1cc(C[N@H+](C)CC(C)(C)[NH3+])c(-c2ccccc2)cc1OC ZINC000656786072 1021335585 /nfs/dbraw/zinc/33/55/85/1021335585.db2.gz VAHUEDSGKNHIQN-UHFFFAOYSA-N 2 1 328.456 3.540 20 0 EHADMP COc1cc(C[N@@H+](C)CC(C)(C)[NH3+])c(-c2ccccc2)cc1OC ZINC000656786072 1021335600 /nfs/dbraw/zinc/33/56/00/1021335600.db2.gz VAHUEDSGKNHIQN-UHFFFAOYSA-N 2 1 328.456 3.540 20 0 EHADMP c1coc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cs2)c1 ZINC000656787018 1021348695 /nfs/dbraw/zinc/34/86/95/1021348695.db2.gz ZOCQEGQXDBFLJF-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cc1O ZINC000426354546 1021361882 /nfs/dbraw/zinc/36/18/82/1021361882.db2.gz TWYQSWORCYXXNY-DLBZAZTESA-N 2 1 334.504 3.576 20 0 EHADMP COCC[N@@H+](C)CC[C@@H](Nc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000518927635 1021693537 /nfs/dbraw/zinc/69/35/37/1021693537.db2.gz WQFNAZFOORIFQD-HXUWFJFHSA-N 2 1 349.478 3.778 20 0 EHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000519848463 1021723062 /nfs/dbraw/zinc/72/30/62/1021723062.db2.gz MIQIMDYTUBJQGO-UHFFFAOYSA-N 2 1 330.394 3.735 20 0 EHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000519848463 1021723078 /nfs/dbraw/zinc/72/30/78/1021723078.db2.gz MIQIMDYTUBJQGO-UHFFFAOYSA-N 2 1 330.394 3.735 20 0 EHADMP Cc1ccccc1OC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965644 1021819986 /nfs/dbraw/zinc/81/99/86/1021819986.db2.gz IYWVZVJMTPTXRP-VOBGVNJCSA-N 2 1 328.500 3.757 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000510470040 1021960709 /nfs/dbraw/zinc/96/07/09/1021960709.db2.gz SENYXEFDHQXZMF-UHFFFAOYSA-N 2 1 343.284 3.894 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000510470040 1021960722 /nfs/dbraw/zinc/96/07/22/1021960722.db2.gz SENYXEFDHQXZMF-UHFFFAOYSA-N 2 1 343.284 3.894 20 0 EHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925022281 1021985497 /nfs/dbraw/zinc/98/54/97/1021985497.db2.gz FTWQNCVBSMIGLU-DOTOQJQBSA-N 2 1 330.472 3.629 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000520205482 1022021943 /nfs/dbraw/zinc/02/19/43/1022021943.db2.gz XACXMEQIEMNAJE-HUUCEWRRSA-N 2 1 326.431 3.746 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc2ccccc2c1 ZINC000441261169 1022107954 /nfs/dbraw/zinc/10/79/54/1022107954.db2.gz HINQOONIZSZRDY-YPAWHYETSA-N 2 1 338.495 3.566 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000517236297 1022156621 /nfs/dbraw/zinc/15/66/21/1022156621.db2.gz QIMRIGSXLXGZBH-OAQYLSRUSA-N 2 1 340.515 3.721 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000441341943 1022179963 /nfs/dbraw/zinc/17/99/63/1022179963.db2.gz QBULWKSAAPKBDC-NHCUHLMSSA-N 2 1 343.559 3.719 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC000441382785 1022185391 /nfs/dbraw/zinc/18/53/91/1022185391.db2.gz LGIBSZAVMXWUFD-SESVDKBCSA-N 2 1 343.559 3.574 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647199546 1022318192 /nfs/dbraw/zinc/31/81/92/1022318192.db2.gz HDKMCWFMFLEJJP-IHPCNDPISA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647199546 1022318195 /nfs/dbraw/zinc/31/81/95/1022318195.db2.gz HDKMCWFMFLEJJP-IHPCNDPISA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)C[NH+](C)C ZINC000425941204 1022327746 /nfs/dbraw/zinc/32/77/46/1022327746.db2.gz BNKGFAGXBFUGJP-MEDUHNTESA-N 2 1 343.284 3.827 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000894475924 1022367204 /nfs/dbraw/zinc/36/72/04/1022367204.db2.gz KDKUJCGSBNFQCS-UHFFFAOYSA-N 2 1 336.439 3.901 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000894475924 1022367221 /nfs/dbraw/zinc/36/72/21/1022367221.db2.gz KDKUJCGSBNFQCS-UHFFFAOYSA-N 2 1 336.439 3.901 20 0 EHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171138526 1033049087 /nfs/dbraw/zinc/04/90/87/1033049087.db2.gz VPEATDGVRYDBLC-UHFFFAOYSA-N 2 1 344.499 3.596 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167970913 1022385662 /nfs/dbraw/zinc/38/56/62/1022385662.db2.gz PYUHRPYIQSXEPR-KRXYWNSISA-N 2 1 342.483 3.514 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167970913 1022385678 /nfs/dbraw/zinc/38/56/78/1022385678.db2.gz PYUHRPYIQSXEPR-KRXYWNSISA-N 2 1 342.483 3.514 20 0 EHADMP COc1cccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001167995528 1022445330 /nfs/dbraw/zinc/44/53/30/1022445330.db2.gz JCTAYOMAYWUKDL-YOFSQIOKSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167995528 1022445336 /nfs/dbraw/zinc/44/53/36/1022445336.db2.gz JCTAYOMAYWUKDL-YOFSQIOKSA-N 2 1 328.500 3.575 20 0 EHADMP COc1cccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167995528 1022445340 /nfs/dbraw/zinc/44/53/40/1022445340.db2.gz JCTAYOMAYWUKDL-YOFSQIOKSA-N 2 1 328.500 3.575 20 0 EHADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438198845 1022454013 /nfs/dbraw/zinc/45/40/13/1022454013.db2.gz FGYLQYTXMBQWAI-LEWJYISDSA-N 2 1 342.527 3.731 20 0 EHADMP COc1ccccc1C(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974894 1022553778 /nfs/dbraw/zinc/55/37/78/1022553778.db2.gz DJEUPTMDDKQMRN-AYHJJNSGSA-N 2 1 328.500 3.925 20 0 EHADMP COc1ccccc1C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974894 1022553788 /nfs/dbraw/zinc/55/37/88/1022553788.db2.gz DJEUPTMDDKQMRN-AYHJJNSGSA-N 2 1 328.500 3.925 20 0 EHADMP COc1ccccc1C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974894 1022553797 /nfs/dbraw/zinc/55/37/97/1022553797.db2.gz DJEUPTMDDKQMRN-AYHJJNSGSA-N 2 1 328.500 3.925 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167975174 1022576839 /nfs/dbraw/zinc/57/68/39/1022576839.db2.gz KHHBCPMOTAXOST-AQDPXUSMSA-N 2 1 329.463 3.667 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)nc1 ZINC001167975174 1022576848 /nfs/dbraw/zinc/57/68/48/1022576848.db2.gz KHHBCPMOTAXOST-AQDPXUSMSA-N 2 1 329.463 3.667 20 0 EHADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993857 1022610469 /nfs/dbraw/zinc/61/04/69/1022610469.db2.gz MXCNAICPCCSKEB-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993857 1022610473 /nfs/dbraw/zinc/61/04/73/1022610473.db2.gz MXCNAICPCCSKEB-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993857 1022610479 /nfs/dbraw/zinc/61/04/79/1022610479.db2.gz MXCNAICPCCSKEB-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993857 1022610486 /nfs/dbraw/zinc/61/04/86/1022610486.db2.gz MXCNAICPCCSKEB-KNQAVFIVSA-N 2 1 338.495 3.625 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000517766744 1022646824 /nfs/dbraw/zinc/64/68/24/1022646824.db2.gz YOKPKXPFQFPFQY-VHDGCEQUSA-N 2 1 343.298 3.835 20 0 EHADMP CC1(C)C[N@@H+](C[C@H]2CCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836075 1022689785 /nfs/dbraw/zinc/68/97/85/1022689785.db2.gz OAHCLIDPVXNRIP-CTNGQTDRSA-N 2 1 342.527 3.646 20 0 EHADMP COC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCC1 ZINC000519566361 1022710085 /nfs/dbraw/zinc/71/00/85/1022710085.db2.gz JFJCCDDWPVCKSC-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000519566361 1022710098 /nfs/dbraw/zinc/71/00/98/1022710098.db2.gz JFJCCDDWPVCKSC-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP COC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000519566361 1022710111 /nfs/dbraw/zinc/71/01/11/1022710111.db2.gz JFJCCDDWPVCKSC-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP C[C@H](C[N@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1)CC(F)(F)F ZINC001280267747 1022725978 /nfs/dbraw/zinc/72/59/78/1022725978.db2.gz AWGXPDHQWTUTFN-DOTOQJQBSA-N 2 1 348.453 3.684 20 0 EHADMP C[C@H](CN1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267747 1022725987 /nfs/dbraw/zinc/72/59/87/1022725987.db2.gz AWGXPDHQWTUTFN-DOTOQJQBSA-N 2 1 348.453 3.684 20 0 EHADMP C[C@H](CN1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2)CC(F)(F)F ZINC001280267747 1022726002 /nfs/dbraw/zinc/72/60/02/1022726002.db2.gz AWGXPDHQWTUTFN-DOTOQJQBSA-N 2 1 348.453 3.684 20 0 EHADMP Cc1ccc2cc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)oc2c1 ZINC000426046976 1022761888 /nfs/dbraw/zinc/76/18/88/1022761888.db2.gz YUMFOAUTVIFWGF-AEFFLSMTSA-N 2 1 330.472 3.629 20 0 EHADMP [NH3+]Cc1cc2cccc(F)c2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981839 1022785618 /nfs/dbraw/zinc/78/56/18/1022785618.db2.gz MPNLQSWYRUPIFM-SJPCQFCGSA-N 2 1 327.447 3.817 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000091467514 1022945203 /nfs/dbraw/zinc/94/52/03/1022945203.db2.gz UHAGBMXUZDJQNS-UHFFFAOYSA-N 2 1 325.294 3.722 20 0 EHADMP c1[nH]nc2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467143 1023008262 /nfs/dbraw/zinc/00/82/62/1023008262.db2.gz DBZUJYQUTHFWRL-RTWAWAEBSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467143 1023008275 /nfs/dbraw/zinc/00/82/75/1023008275.db2.gz DBZUJYQUTHFWRL-RTWAWAEBSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467143 1023008287 /nfs/dbraw/zinc/00/82/87/1023008287.db2.gz DBZUJYQUTHFWRL-RTWAWAEBSA-N 2 1 346.478 3.517 20 0 EHADMP CCOCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000090457477 1023115369 /nfs/dbraw/zinc/11/53/69/1023115369.db2.gz NZXUGOUVWVWRJW-UHFFFAOYSA-N 2 1 344.543 3.880 20 0 EHADMP CC(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000607366927 1033108671 /nfs/dbraw/zinc/10/86/71/1033108671.db2.gz YOERHUIRCZCVFM-JOCHJYFZSA-N 2 1 338.495 3.537 20 0 EHADMP CC(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000607366927 1033108683 /nfs/dbraw/zinc/10/86/83/1033108683.db2.gz YOERHUIRCZCVFM-JOCHJYFZSA-N 2 1 338.495 3.537 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565125 1023451181 /nfs/dbraw/zinc/45/11/81/1023451181.db2.gz VKMYSSCBDJMYRE-AOCRQIFASA-N 2 1 338.536 3.597 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875939 1033155443 /nfs/dbraw/zinc/15/54/43/1033155443.db2.gz JTSBVGYTCISFNQ-JKSUJKDBSA-N 2 1 342.483 3.849 20 0 EHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657876829 1033156148 /nfs/dbraw/zinc/15/61/48/1033156148.db2.gz NUHPOILFVLQLCY-RDJZCZTQSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000574463505 1033162348 /nfs/dbraw/zinc/16/23/48/1033162348.db2.gz RBALJPVPRAGFCF-UHFFFAOYSA-N 2 1 348.878 3.564 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4[nH]cnc4c3)C2)CC1 ZINC000535827938 1023796347 /nfs/dbraw/zinc/79/63/47/1023796347.db2.gz QPJIRCJDVWARGI-GOSISDBHSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)CC1 ZINC000535827938 1023796352 /nfs/dbraw/zinc/79/63/52/1023796352.db2.gz QPJIRCJDVWARGI-GOSISDBHSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4nc[nH]c4c3)C2)CC1 ZINC000535827938 1023796359 /nfs/dbraw/zinc/79/63/59/1023796359.db2.gz QPJIRCJDVWARGI-GOSISDBHSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)CC1 ZINC000535827938 1023796362 /nfs/dbraw/zinc/79/63/62/1023796362.db2.gz QPJIRCJDVWARGI-GOSISDBHSA-N 2 1 326.488 3.507 20 0 EHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1OC ZINC000342077792 1023873608 /nfs/dbraw/zinc/87/36/08/1023873608.db2.gz DRKAIHKKLOXOKJ-MRXNPFEDSA-N 2 1 334.504 3.614 20 0 EHADMP Clc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC3 ZINC000647228929 1023913806 /nfs/dbraw/zinc/91/38/06/1023913806.db2.gz DDZHRWOBFMHHJF-PMPSAXMXSA-N 2 1 343.902 3.895 20 0 EHADMP CC1CC[NH+](CC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000474059020 1023961023 /nfs/dbraw/zinc/96/10/23/1023961023.db2.gz ZMEDEFHMLXATIQ-GOSISDBHSA-N 2 1 343.515 3.589 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccncc1Br ZINC000631041931 1023982458 /nfs/dbraw/zinc/98/24/58/1023982458.db2.gz DHXOTPXLOPNDFN-AWEZNQCLSA-N 2 1 340.309 3.588 20 0 EHADMP COc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc1O ZINC001279140748 1024160282 /nfs/dbraw/zinc/16/02/82/1024160282.db2.gz ITKICNDXUSQAES-UHFFFAOYSA-N 2 1 344.499 3.631 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000277199712 1024195954 /nfs/dbraw/zinc/19/59/54/1024195954.db2.gz MMLUGRBYHYRTRZ-HNNXBMFYSA-N 2 1 330.394 3.544 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000277199712 1024195962 /nfs/dbraw/zinc/19/59/62/1024195962.db2.gz MMLUGRBYHYRTRZ-HNNXBMFYSA-N 2 1 330.394 3.544 20 0 EHADMP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000395279303 1024200767 /nfs/dbraw/zinc/20/07/67/1024200767.db2.gz GOYSQICEUDGYPO-QFIPXVFZSA-N 2 1 338.495 3.802 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000324105364 1024202690 /nfs/dbraw/zinc/20/26/90/1024202690.db2.gz PMLAUFDFUIIJQT-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000324105364 1024202696 /nfs/dbraw/zinc/20/26/96/1024202696.db2.gz PMLAUFDFUIIJQT-AWEZNQCLSA-N 2 1 330.394 3.939 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342146765 1024240588 /nfs/dbraw/zinc/24/05/88/1024240588.db2.gz YQSDAJWBWUPFDY-SHPPOPEUSA-N 2 1 346.862 3.510 20 0 EHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342146765 1024240602 /nfs/dbraw/zinc/24/06/02/1024240602.db2.gz YQSDAJWBWUPFDY-SHPPOPEUSA-N 2 1 346.862 3.510 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000324156939 1024258633 /nfs/dbraw/zinc/25/86/33/1024258633.db2.gz ALGDAMVSPVMUSC-MRXNPFEDSA-N 2 1 332.488 3.763 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000324156939 1024258646 /nfs/dbraw/zinc/25/86/46/1024258646.db2.gz ALGDAMVSPVMUSC-MRXNPFEDSA-N 2 1 332.488 3.763 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cnccc3o2)[C@H](C)C1 ZINC000657884106 1033199515 /nfs/dbraw/zinc/19/95/15/1033199515.db2.gz KAFBIRYFVXBHAD-RYRKJORJSA-N 2 1 345.487 3.615 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cnccc3o2)[C@H](C)C1 ZINC000657884106 1033199524 /nfs/dbraw/zinc/19/95/24/1033199524.db2.gz KAFBIRYFVXBHAD-RYRKJORJSA-N 2 1 345.487 3.615 20 0 EHADMP Fc1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434677159 1024293697 /nfs/dbraw/zinc/29/36/97/1024293697.db2.gz WFUMOIGCKNIURJ-UHFFFAOYSA-N 2 1 343.446 3.617 20 0 EHADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006327 1024411076 /nfs/dbraw/zinc/41/10/76/1024411076.db2.gz NEPMMPIUPWRTPZ-CEQLMSFQSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006327 1024411097 /nfs/dbraw/zinc/41/10/97/1024411097.db2.gz NEPMMPIUPWRTPZ-CEQLMSFQSA-N 2 1 329.532 3.504 20 0 EHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ncc(Cl)n3C)cc2)CC1 ZINC000281838151 1024448337 /nfs/dbraw/zinc/44/83/37/1024448337.db2.gz YEGNGFUECQAJCX-UHFFFAOYSA-N 2 1 346.906 3.595 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)cc1 ZINC000166675282 1024452279 /nfs/dbraw/zinc/45/22/79/1024452279.db2.gz KRUUMPJQSLLRQF-KGLIPLIRSA-N 2 1 335.455 3.999 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)cc1 ZINC000166675177 1024452703 /nfs/dbraw/zinc/45/27/03/1024452703.db2.gz KRUUMPJQSLLRQF-ZIAGYGMSSA-N 2 1 335.455 3.999 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000346198168 1024519484 /nfs/dbraw/zinc/51/94/84/1024519484.db2.gz FWOCFYJVCHLGMF-UHFFFAOYSA-N 2 1 342.512 3.827 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000114478190 1024589637 /nfs/dbraw/zinc/58/96/37/1024589637.db2.gz WTRVCBBMCSPFJY-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000114478190 1024589650 /nfs/dbraw/zinc/58/96/50/1024589650.db2.gz WTRVCBBMCSPFJY-LJQANCHMSA-N 2 1 342.458 3.788 20 0 EHADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000507817248 1024627612 /nfs/dbraw/zinc/62/76/12/1024627612.db2.gz XKSMRGLWBZQNDK-PZJWPPBQSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@@H]1C[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817248 1024627622 /nfs/dbraw/zinc/62/76/22/1024627622.db2.gz XKSMRGLWBZQNDK-PZJWPPBQSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817248 1024627629 /nfs/dbraw/zinc/62/76/29/1024627629.db2.gz XKSMRGLWBZQNDK-PZJWPPBQSA-N 2 1 330.516 3.788 20 0 EHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895670406 1024717519 /nfs/dbraw/zinc/71/75/19/1024717519.db2.gz GTCLLUNPCMENIS-SDXDJHTJSA-N 2 1 328.500 3.797 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC[C@H]2CCCO2)CC3)cc1 ZINC000346442622 1024736563 /nfs/dbraw/zinc/73/65/63/1024736563.db2.gz GBCCATBTYSHQFZ-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP Fc1ccc(/C=C\C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435374146 1024840638 /nfs/dbraw/zinc/84/06/38/1024840638.db2.gz WLIJMVDIWCQMLS-OLEQZPESSA-N 2 1 339.458 3.878 20 0 EHADMP Fc1ccc(/C=C\C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435374146 1024840656 /nfs/dbraw/zinc/84/06/56/1024840656.db2.gz WLIJMVDIWCQMLS-OLEQZPESSA-N 2 1 339.458 3.878 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000435380194 1024858616 /nfs/dbraw/zinc/85/86/16/1024858616.db2.gz PXCUSJMRMUFSDH-ZBFHGGJFSA-N 2 1 346.496 3.505 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249095 1024858764 /nfs/dbraw/zinc/85/87/64/1024858764.db2.gz JRLJHKAJCMABRL-CQSZACIVSA-N 2 1 329.513 3.964 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCCO1 ZINC000346562640 1024865865 /nfs/dbraw/zinc/86/58/65/1024865865.db2.gz QQVKCXCATXHMQK-OXQOHEQNSA-N 2 1 328.456 3.569 20 0 EHADMP CC(C)C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000474389240 1024868820 /nfs/dbraw/zinc/86/88/20/1024868820.db2.gz NBSJIOXEXUATFX-GXRSIYKFSA-N 2 1 344.543 4.000 20 0 EHADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000435386292 1024871364 /nfs/dbraw/zinc/87/13/64/1024871364.db2.gz UBUQMFNVDYOGGL-WMLDXEAASA-N 2 1 345.512 3.590 20 0 EHADMP [NH3+]C1CC[NH+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000435396762 1024883981 /nfs/dbraw/zinc/88/39/81/1024883981.db2.gz YEFKPFAXJMASAI-UHFFFAOYSA-N 2 1 343.858 3.515 20 0 EHADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474423587 1024937927 /nfs/dbraw/zinc/93/79/27/1024937927.db2.gz CLYRANYFJHJAIY-OAHLLOKOSA-N 2 1 342.314 3.646 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000511051161 1024966753 /nfs/dbraw/zinc/96/67/53/1024966753.db2.gz UTURBTFEQZUMQB-DUXKGJEZSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000511051161 1024966764 /nfs/dbraw/zinc/96/67/64/1024966764.db2.gz UTURBTFEQZUMQB-DUXKGJEZSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000511051164 1024967684 /nfs/dbraw/zinc/96/76/84/1024967684.db2.gz UTURBTFEQZUMQB-UIFIKXQLSA-N 2 1 330.516 3.570 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000511051164 1024967688 /nfs/dbraw/zinc/96/76/88/1024967688.db2.gz UTURBTFEQZUMQB-UIFIKXQLSA-N 2 1 330.516 3.570 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000157625303 1024971056 /nfs/dbraw/zinc/97/10/56/1024971056.db2.gz PUZMJAFUAWIOCW-LAUBAEHRSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257704 1025014320 /nfs/dbraw/zinc/01/43/20/1025014320.db2.gz RGFQLXNWILXZHF-APHBMKBZSA-N 2 1 332.385 3.982 20 0 EHADMP COCC1C[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000895974210 1025031322 /nfs/dbraw/zinc/03/13/22/1025031322.db2.gz AOUOIACVLBCLAC-OAQYLSRUSA-N 2 1 330.516 3.503 20 0 EHADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428221393 1025055281 /nfs/dbraw/zinc/05/52/81/1025055281.db2.gz KHWGCGVRMJHHBV-QHGDMDKLSA-N 2 1 344.543 3.674 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000435789429 1025137623 /nfs/dbraw/zinc/13/76/23/1025137623.db2.gz FBTHUDUVAGLNIL-AZUAARDMSA-N 2 1 338.499 3.812 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000435789430 1025137785 /nfs/dbraw/zinc/13/77/85/1025137785.db2.gz FBTHUDUVAGLNIL-ICSRJNTNSA-N 2 1 338.499 3.812 20 0 EHADMP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000515300684 1025160994 /nfs/dbraw/zinc/16/09/94/1025160994.db2.gz WRXFQOBEIPSSRG-CYBMUJFWSA-N 2 1 330.369 3.666 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037268 1025164077 /nfs/dbraw/zinc/16/40/77/1025164077.db2.gz ZJRZLUKAUCXPBL-CXUGJCBMSA-N 2 1 330.516 3.569 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000574519563 1033266685 /nfs/dbraw/zinc/26/66/85/1033266685.db2.gz TXFIAQHZBACUMT-QFIPXVFZSA-N 2 1 349.478 3.514 20 0 EHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000574519563 1033266698 /nfs/dbraw/zinc/26/66/98/1033266698.db2.gz TXFIAQHZBACUMT-QFIPXVFZSA-N 2 1 349.478 3.514 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861044 1025288173 /nfs/dbraw/zinc/28/81/73/1025288173.db2.gz NBQVAYXOIYFWAZ-NWDGAFQWSA-N 2 1 330.369 3.979 20 0 EHADMP CC[N@H+](Cc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1)C(C)C ZINC000346919123 1025314177 /nfs/dbraw/zinc/31/41/77/1025314177.db2.gz IMZMKBHSGHVDPB-UHFFFAOYSA-N 2 1 340.471 3.630 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1)C(C)C ZINC000346919123 1025314189 /nfs/dbraw/zinc/31/41/89/1025314189.db2.gz IMZMKBHSGHVDPB-UHFFFAOYSA-N 2 1 340.471 3.630 20 0 EHADMP C[C@@H]1CC([N@@H+]2CC[C@](C)(O)[C@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040459 1025331599 /nfs/dbraw/zinc/33/15/99/1025331599.db2.gz MZKVMLBZGLUZNF-IKVWTGGYSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@](C)(O)[C@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040459 1025331614 /nfs/dbraw/zinc/33/16/14/1025331614.db2.gz MZKVMLBZGLUZNF-IKVWTGGYSA-N 2 1 330.516 3.521 20 0 EHADMP Cc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(OC(F)F)cc1C ZINC000414880620 1025487033 /nfs/dbraw/zinc/48/70/33/1025487033.db2.gz QRYAWUOGBFQVBP-UHFFFAOYSA-N 2 1 349.425 3.569 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(F)c(Br)cc1F ZINC000530219171 1025512967 /nfs/dbraw/zinc/51/29/67/1025512967.db2.gz ZJTFNHKIRMXCSD-LPEHRKFASA-N 2 1 333.220 3.648 20 0 EHADMP Clc1ccc2c(NC[C@@H]3CC[N@@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896517334 1025528651 /nfs/dbraw/zinc/52/86/51/1025528651.db2.gz WZVRBBFJHYLMKA-HNNXBMFYSA-N 2 1 331.847 3.553 20 0 EHADMP Clc1ccc2c(NC[C@@H]3CC[N@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896517334 1025528661 /nfs/dbraw/zinc/52/86/61/1025528661.db2.gz WZVRBBFJHYLMKA-HNNXBMFYSA-N 2 1 331.847 3.553 20 0 EHADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000442870009 1025543454 /nfs/dbraw/zinc/54/34/54/1025543454.db2.gz CLAQGSWOJJWCDM-HXUWFJFHSA-N 2 1 343.515 3.746 20 0 EHADMP C[C@@H]1CC([N@@H+]2CC(C)(C)C[C@@]2(C)CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042394 1025551741 /nfs/dbraw/zinc/55/17/41/1025551741.db2.gz ZLNURCWMTVVKBL-HMFYCAOWSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1CC([N@H+]2CC(C)(C)C[C@@]2(C)CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042394 1025551759 /nfs/dbraw/zinc/55/17/59/1025551759.db2.gz ZLNURCWMTVVKBL-HMFYCAOWSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C[C@@]2(C)CO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042402 1025554493 /nfs/dbraw/zinc/55/44/93/1025554493.db2.gz ZLNURCWMTVVKBL-TWWGPRNNSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C[C@@]2(C)CO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042402 1025554499 /nfs/dbraw/zinc/55/44/99/1025554499.db2.gz ZLNURCWMTVVKBL-TWWGPRNNSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC(C)(C)C[C@@]2(C)CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042402 1025554503 /nfs/dbraw/zinc/55/45/03/1025554503.db2.gz ZLNURCWMTVVKBL-TWWGPRNNSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC(C)(C)C[C@@]2(C)CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042402 1025554509 /nfs/dbraw/zinc/55/45/09/1025554509.db2.gz ZLNURCWMTVVKBL-TWWGPRNNSA-N 2 1 344.543 3.911 20 0 EHADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@@H](C)C[NH2+]C)nc1 ZINC000665298613 1025561310 /nfs/dbraw/zinc/56/13/10/1025561310.db2.gz ZCJCATFUIVETHU-MGPUTAFESA-N 2 1 345.918 3.649 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)[C@H]1c1cccs1 ZINC000657375273 1025664075 /nfs/dbraw/zinc/66/40/75/1025664075.db2.gz XEDOVEOMTMJRMT-LPHOPBHVSA-N 2 1 344.528 3.527 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)[C@H]1c1cccs1 ZINC000657375273 1025664084 /nfs/dbraw/zinc/66/40/84/1025664084.db2.gz XEDOVEOMTMJRMT-LPHOPBHVSA-N 2 1 344.528 3.527 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1F ZINC000281949170 1025767732 /nfs/dbraw/zinc/76/77/32/1025767732.db2.gz ALKMQRCPHSYZLD-LJQANCHMSA-N 2 1 343.446 3.759 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@@H]3CCO[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044108 1025816930 /nfs/dbraw/zinc/81/69/30/1025816930.db2.gz FIDIUTVCIBJWEL-ZJSJBZJDSA-N 2 1 328.500 3.539 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000582328435 1025860101 /nfs/dbraw/zinc/86/01/01/1025860101.db2.gz YHNYBJAUWBWMAC-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000582328435 1025860121 /nfs/dbraw/zinc/86/01/21/1025860121.db2.gz YHNYBJAUWBWMAC-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000582328435 1025860138 /nfs/dbraw/zinc/86/01/38/1025860138.db2.gz YHNYBJAUWBWMAC-MOPGFXCFSA-N 2 1 346.515 3.790 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474043419 1025884878 /nfs/dbraw/zinc/88/48/78/1025884878.db2.gz GGVBKRGLAPRKJY-OAHLLOKOSA-N 2 1 332.479 3.679 20 0 EHADMP C[C@H](CC[NH3+])[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414888721 1025992076 /nfs/dbraw/zinc/99/20/76/1025992076.db2.gz FLSPNOUAEZMIQD-SECBINFHSA-N 2 1 330.284 3.944 20 0 EHADMP CCCO[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168053089 1026009654 /nfs/dbraw/zinc/00/96/54/1026009654.db2.gz MOTGWBDCYPQKRC-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP CCCO[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168053089 1026009671 /nfs/dbraw/zinc/00/96/71/1026009671.db2.gz MOTGWBDCYPQKRC-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP CCCO[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168053089 1026009689 /nfs/dbraw/zinc/00/96/89/1026009689.db2.gz MOTGWBDCYPQKRC-YHELAOLJSA-N 2 1 330.516 3.929 20 0 EHADMP CC(C)n1ccnc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657415267 1026106893 /nfs/dbraw/zinc/10/68/93/1026106893.db2.gz HFEAHZIEYQXJSY-AZUAARDMSA-N 2 1 340.515 3.854 20 0 EHADMP Fc1ccc(-c2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)on2)cc1 ZINC000342606802 1026432906 /nfs/dbraw/zinc/43/29/06/1026432906.db2.gz PRSMDJMYQXJQGU-UHFFFAOYSA-N 2 1 326.375 3.583 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000475315265 1026472488 /nfs/dbraw/zinc/47/24/88/1026472488.db2.gz JWQFOWGDJOGJNS-OSZJIOELSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)O[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168062381 1026527417 /nfs/dbraw/zinc/52/74/17/1026527417.db2.gz KNERGNVYSLZZGE-KOUHRCEDSA-N 2 1 330.516 3.927 20 0 EHADMP CC(C)O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168062381 1026527433 /nfs/dbraw/zinc/52/74/33/1026527433.db2.gz KNERGNVYSLZZGE-KOUHRCEDSA-N 2 1 330.516 3.927 20 0 EHADMP CC(C)O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168062381 1026527442 /nfs/dbraw/zinc/52/74/42/1026527442.db2.gz KNERGNVYSLZZGE-KOUHRCEDSA-N 2 1 330.516 3.927 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000531143632 1026626496 /nfs/dbraw/zinc/62/64/96/1026626496.db2.gz CZMFWRDXPODAED-SWLSCSKDSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCOc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000531143632 1026626499 /nfs/dbraw/zinc/62/64/99/1026626499.db2.gz CZMFWRDXPODAED-SWLSCSKDSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143632 1026626501 /nfs/dbraw/zinc/62/65/01/1026626501.db2.gz CZMFWRDXPODAED-SWLSCSKDSA-N 2 1 331.287 3.787 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000531143632 1026626504 /nfs/dbraw/zinc/62/65/04/1026626504.db2.gz CZMFWRDXPODAED-SWLSCSKDSA-N 2 1 331.287 3.787 20 0 EHADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000531426470 1026900967 /nfs/dbraw/zinc/90/09/67/1026900967.db2.gz KUNJDQYUDYZUGQ-UHFFFAOYSA-N 3 1 343.559 3.623 20 0 EHADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000531426470 1026900978 /nfs/dbraw/zinc/90/09/78/1026900978.db2.gz KUNJDQYUDYZUGQ-UHFFFAOYSA-N 3 1 343.559 3.623 20 0 EHADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000531426470 1026900985 /nfs/dbraw/zinc/90/09/85/1026900985.db2.gz KUNJDQYUDYZUGQ-UHFFFAOYSA-N 3 1 343.559 3.623 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@H](CNc3nc4ccccc4[nH]3)C2)c1 ZINC000301879733 1026976359 /nfs/dbraw/zinc/97/63/59/1026976359.db2.gz LMCCSPCEAIOOPT-CQSZACIVSA-N 2 1 326.469 3.949 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342767438 1026988654 /nfs/dbraw/zinc/98/86/54/1026988654.db2.gz CCGMBIFFIYBKMW-UHFFFAOYSA-N 2 1 340.515 3.904 20 0 EHADMP Cc1ncc([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813463 1027244085 /nfs/dbraw/zinc/24/40/85/1027244085.db2.gz DZMVBAGYHACXKR-PBHICJAKSA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813463 1027244094 /nfs/dbraw/zinc/24/40/94/1027244094.db2.gz DZMVBAGYHACXKR-PBHICJAKSA-N 2 1 344.528 3.718 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000126813463 1027244114 /nfs/dbraw/zinc/24/41/14/1027244114.db2.gz DZMVBAGYHACXKR-PBHICJAKSA-N 2 1 344.528 3.718 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000897471412 1027282134 /nfs/dbraw/zinc/28/21/34/1027282134.db2.gz MBHFPBKRVRWPOP-CYBMUJFWSA-N 2 1 337.305 3.769 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000453106654 1027375869 /nfs/dbraw/zinc/37/58/69/1027375869.db2.gz ZCDIEDATVNWQHK-QUCCMNQESA-N 2 1 349.950 3.593 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000453125210 1027404772 /nfs/dbraw/zinc/40/47/72/1027404772.db2.gz OFTXYGNLOZWRFQ-LNLFQRSKSA-N 2 1 346.544 3.642 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000453125210 1027404782 /nfs/dbraw/zinc/40/47/82/1027404782.db2.gz OFTXYGNLOZWRFQ-LNLFQRSKSA-N 2 1 346.544 3.642 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(O)c(OCC)c2)CC1 ZINC000459302686 1027430864 /nfs/dbraw/zinc/43/08/64/1027430864.db2.gz NMXSLKUECGFZQM-UHFFFAOYSA-N 2 1 334.504 3.735 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453133803 1027438139 /nfs/dbraw/zinc/43/81/39/1027438139.db2.gz RJGKICYVXOMKBX-BBWFWOEESA-N 2 1 326.406 3.972 20 0 EHADMP Cc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000420281535 1027440972 /nfs/dbraw/zinc/44/09/72/1027440972.db2.gz AALGXAGVOPHDON-SFHVURJKSA-N 2 1 346.906 3.911 20 0 EHADMP Cc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000420281535 1027440976 /nfs/dbraw/zinc/44/09/76/1027440976.db2.gz AALGXAGVOPHDON-SFHVURJKSA-N 2 1 346.906 3.911 20 0 EHADMP c1cc(C[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420302745 1027448667 /nfs/dbraw/zinc/44/86/67/1027448667.db2.gz BWNMDKYWCVLLPN-IBGZPJMESA-N 3 1 347.572 3.568 20 0 EHADMP c1cc(C[N@H+](CCC[NH+]2CCCCC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420302745 1027448674 /nfs/dbraw/zinc/44/86/74/1027448674.db2.gz BWNMDKYWCVLLPN-IBGZPJMESA-N 3 1 347.572 3.568 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453142366 1027449203 /nfs/dbraw/zinc/44/92/03/1027449203.db2.gz DDERFAOHEUNDHC-OYNPSCLESA-N 2 1 344.543 3.816 20 0 EHADMP Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000420320430 1027466758 /nfs/dbraw/zinc/46/67/58/1027466758.db2.gz QFJOAPDRSLXZBX-PXNSSMCTSA-N 2 1 338.499 3.912 20 0 EHADMP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000414655778 1027716983 /nfs/dbraw/zinc/71/69/83/1027716983.db2.gz MBEAUVGGXLZGRI-AWEZNQCLSA-N 2 1 346.906 3.604 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000414657278 1027723610 /nfs/dbraw/zinc/72/36/10/1027723610.db2.gz OEKIUMSQFNXGSV-SFHVURJKSA-N 2 1 346.478 3.628 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000414683255 1027857701 /nfs/dbraw/zinc/85/77/01/1027857701.db2.gz ZTSXSCDTDLLQHL-CKEIUWERSA-N 2 1 337.305 3.974 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000422708208 1027865290 /nfs/dbraw/zinc/86/52/90/1027865290.db2.gz IKTGINNSYMGHQB-WSXQUGQNSA-N 2 1 344.405 3.871 20 0 EHADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000359892645 1027866533 /nfs/dbraw/zinc/86/65/33/1027866533.db2.gz AAZNEBFHQKRTJI-MJGOQNOKSA-N 2 1 332.463 3.712 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000339069408 1027898065 /nfs/dbraw/zinc/89/80/65/1027898065.db2.gz VEKKRWQSUXGSKB-BVYCBKJFSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339069408 1027898088 /nfs/dbraw/zinc/89/80/88/1027898088.db2.gz VEKKRWQSUXGSKB-BVYCBKJFSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069408 1027898111 /nfs/dbraw/zinc/89/81/11/1027898111.db2.gz VEKKRWQSUXGSKB-BVYCBKJFSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000339069408 1027898136 /nfs/dbraw/zinc/89/81/36/1027898136.db2.gz VEKKRWQSUXGSKB-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000339069408 1027898160 /nfs/dbraw/zinc/89/81/60/1027898160.db2.gz VEKKRWQSUXGSKB-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339069408 1027898184 /nfs/dbraw/zinc/89/81/84/1027898184.db2.gz VEKKRWQSUXGSKB-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069408 1027898207 /nfs/dbraw/zinc/89/82/07/1027898207.db2.gz VEKKRWQSUXGSKB-BVYCBKJFSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736314 1027904783 /nfs/dbraw/zinc/90/47/83/1027904783.db2.gz VXBORDVOVFSWCB-FRYIKTPZSA-N 2 1 329.532 3.626 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422747573 1027913201 /nfs/dbraw/zinc/91/32/01/1027913201.db2.gz QMJKJCRZBMSFAJ-VIZZQPHQSA-N 2 1 344.405 3.871 20 0 EHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC(F)(F)CC1 ZINC000420965412 1027934593 /nfs/dbraw/zinc/93/45/93/1027934593.db2.gz PDAUUBCQSMCFRE-UHFFFAOYSA-N 2 1 338.442 3.529 20 0 EHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC(F)(F)CC1 ZINC000420965412 1027934615 /nfs/dbraw/zinc/93/46/15/1027934615.db2.gz PDAUUBCQSMCFRE-UHFFFAOYSA-N 2 1 338.442 3.529 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnccc1N ZINC000422852755 1027990122 /nfs/dbraw/zinc/99/01/22/1027990122.db2.gz BGAZLVDGNKPRDQ-DLBZAZTESA-N 2 1 338.499 3.577 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1OC ZINC000502241524 1027992102 /nfs/dbraw/zinc/99/21/02/1027992102.db2.gz MMWWQXDSRQTZEA-AEFFLSMTSA-N 2 1 346.515 3.550 20 0 EHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1OC ZINC000502241524 1027992112 /nfs/dbraw/zinc/99/21/12/1027992112.db2.gz MMWWQXDSRQTZEA-AEFFLSMTSA-N 2 1 346.515 3.550 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000422842979 1028003073 /nfs/dbraw/zinc/00/30/73/1028003073.db2.gz ZYVBBHZFYRYUCU-LRSLUSHPSA-N 2 1 343.559 3.970 20 0 EHADMP C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)c1c[nH+]ccc1N ZINC000422844519 1028005838 /nfs/dbraw/zinc/00/58/38/1028005838.db2.gz MBBVJWVSOAWKHQ-ZDUSSCGKSA-N 2 1 331.410 3.935 20 0 EHADMP OCC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000421023891 1028011862 /nfs/dbraw/zinc/01/18/62/1028011862.db2.gz WRAMKPDVXVDSCR-IBGZPJMESA-N 2 1 330.516 3.657 20 0 EHADMP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(F)cc2)cc1 ZINC000422949208 1028085328 /nfs/dbraw/zinc/08/53/28/1028085328.db2.gz ULVPXCSXVHMYBU-KXZRCVDZSA-N 2 1 340.442 3.796 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000422997169 1028114498 /nfs/dbraw/zinc/11/44/98/1028114498.db2.gz ASOIVCLNNLJJFR-UXHICEINSA-N 2 1 337.467 3.689 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423008945 1028121154 /nfs/dbraw/zinc/12/11/54/1028121154.db2.gz UWTTYBNSUAIOTO-UTKZUKDTSA-N 3 1 341.499 3.519 20 0 EHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423008945 1028121160 /nfs/dbraw/zinc/12/11/60/1028121160.db2.gz UWTTYBNSUAIOTO-UTKZUKDTSA-N 2 1 341.499 3.519 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000423019250 1028128538 /nfs/dbraw/zinc/12/85/38/1028128538.db2.gz UVHLRJWLYAZIIA-YDZRNGNQSA-N 2 1 328.843 3.904 20 0 EHADMP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])on1 ZINC000423040612 1028147052 /nfs/dbraw/zinc/14/70/52/1028147052.db2.gz HQPVLYSHIFTCDL-KBPBESRZSA-N 2 1 339.439 3.719 20 0 EHADMP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423045477 1028150731 /nfs/dbraw/zinc/15/07/31/1028150731.db2.gz SEWKBKWUHLWHFW-BURNTYAHSA-N 2 1 344.474 3.508 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423067603 1028159180 /nfs/dbraw/zinc/15/91/80/1028159180.db2.gz ZYPZKALCNKSMHX-ARFHVFGLSA-N 2 1 346.906 3.627 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000423097813 1028179458 /nfs/dbraw/zinc/17/94/58/1028179458.db2.gz BNOLXCFHFPRAND-BZSNNMDCSA-N 2 1 326.440 3.889 20 0 EHADMP c1ccc([C@@H]2C[C@H]2C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000414717654 1028191297 /nfs/dbraw/zinc/19/12/97/1028191297.db2.gz PYMJKZZMDIVTAA-BVSLBCMMSA-N 2 1 335.495 3.829 20 0 EHADMP CCC[N@@H+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423107456 1028199329 /nfs/dbraw/zinc/19/93/29/1028199329.db2.gz PYBXNSITJZQUKR-SWDXFRIISA-N 2 1 335.923 3.596 20 0 EHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423183327 1028229340 /nfs/dbraw/zinc/22/93/40/1028229340.db2.gz GJEKFXYRUOUFKL-FQEVSTJZSA-N 2 1 339.483 3.682 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423179277 1028246739 /nfs/dbraw/zinc/24/67/39/1028246739.db2.gz LQCNHZZTDYNALK-OAHLLOKOSA-N 2 1 332.492 3.529 20 0 EHADMP FC(F)Oc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423209261 1028253045 /nfs/dbraw/zinc/25/30/45/1028253045.db2.gz IRURUFLNIOYUCC-HNAYVOBHSA-N 2 1 346.421 3.967 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2c1c(Br)ccc2F)[C@@H]1CCC[NH2+]C1 ZINC000423205705 1028254085 /nfs/dbraw/zinc/25/40/85/1028254085.db2.gz BDRUTXJVEKDAEE-FIXISWKDSA-N 2 1 341.268 3.553 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000423193131 1028264627 /nfs/dbraw/zinc/26/46/27/1028264627.db2.gz WPYDUPMUXLPXHR-CQSZACIVSA-N 2 1 348.288 3.675 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423205197 1028272352 /nfs/dbraw/zinc/27/23/52/1028272352.db2.gz BDKMASILHRUHTL-SRVKXCTJSA-N 2 1 332.822 3.980 20 0 EHADMP C[N@@H+](Cc1cccc(OCc2ccccc2F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414727745 1028309201 /nfs/dbraw/zinc/30/92/01/1028309201.db2.gz AYBOFBRTWYTSKM-LJQANCHMSA-N 2 1 342.458 3.979 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000423254103 1028316024 /nfs/dbraw/zinc/31/60/24/1028316024.db2.gz XDGVKGYZYZEGGJ-ODAXIHTASA-N 2 1 349.522 3.719 20 0 EHADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000423291820 1028328054 /nfs/dbraw/zinc/32/80/54/1028328054.db2.gz JYWLQGXNUJJQRY-HOTGVXAUSA-N 2 1 349.482 3.755 20 0 EHADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC(F)F ZINC000423267945 1028333142 /nfs/dbraw/zinc/33/31/42/1028333142.db2.gz UFWTUMFCPNCLMM-IUODEOHRSA-N 2 1 342.430 3.855 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C[NH3+])C2CC2)CCC3)cc1 ZINC000423269335 1028333233 /nfs/dbraw/zinc/33/32/33/1028333233.db2.gz FMJLCPAQYWZRBM-DOTOQJQBSA-N 2 1 343.496 3.523 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CCC3)cc1 ZINC000423275704 1028336502 /nfs/dbraw/zinc/33/65/02/1028336502.db2.gz NMHLSHRILBLTRX-JKSUJKDBSA-N 2 1 345.512 3.769 20 0 EHADMP CSc1cccc([C@H]([NH2+]C[C@H](C)C[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423307373 1028343283 /nfs/dbraw/zinc/34/32/83/1028343283.db2.gz NAWXOEHAKKUXEV-XIKOKIGWSA-N 2 1 336.451 3.961 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423293799 1028352346 /nfs/dbraw/zinc/35/23/46/1028352346.db2.gz ASUXNUGLVKMMFI-WCQYABFASA-N 2 1 329.282 3.626 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294381 1028352377 /nfs/dbraw/zinc/35/23/77/1028352377.db2.gz UITURBVJASZTBH-QMZRJTEUSA-N 3 1 349.522 3.992 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000423294381 1028352397 /nfs/dbraw/zinc/35/23/97/1028352397.db2.gz UITURBVJASZTBH-QMZRJTEUSA-N 2 1 349.522 3.992 20 0 EHADMP C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423294381 1028352414 /nfs/dbraw/zinc/35/24/14/1028352414.db2.gz UITURBVJASZTBH-QMZRJTEUSA-N 2 1 349.522 3.992 20 0 EHADMP COc1cccc2c(NCC3CC[NH+](C4CC4)CC3)c(C)c[nH+]c12 ZINC000444875198 1028362762 /nfs/dbraw/zinc/36/27/62/1028362762.db2.gz MFTQDASWCRMWNR-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000161961487 1028381484 /nfs/dbraw/zinc/38/14/84/1028381484.db2.gz IQCSKGOGAJBWKQ-VKJFTORMSA-N 2 1 329.513 3.671 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000423363865 1028391559 /nfs/dbraw/zinc/39/15/59/1028391559.db2.gz OFBUTUNRLBTOJX-CZUORRHYSA-N 2 1 332.879 3.627 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc2cc(Br)ccc2o1 ZINC000423367288 1028395125 /nfs/dbraw/zinc/39/51/25/1028395125.db2.gz RDZUXTQAEINVAB-SMDDNHRTSA-N 2 1 337.261 3.988 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000423469053 1028456289 /nfs/dbraw/zinc/45/62/89/1028456289.db2.gz KHAABZYLVQFZNF-QIIPPGSGSA-N 2 1 347.865 3.918 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423505808 1028470085 /nfs/dbraw/zinc/47/00/85/1028470085.db2.gz GRWXUUYWPFQWAU-XJKSGUPXSA-N 2 1 334.460 3.583 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423494827 1028479510 /nfs/dbraw/zinc/47/95/10/1028479510.db2.gz BBWQQZREWAKRBY-BDJLRTHQSA-N 2 1 343.284 3.626 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646545 1028495472 /nfs/dbraw/zinc/49/54/72/1028495472.db2.gz DJMOTXZCKCWMPH-YADHBBJMSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646545 1028495479 /nfs/dbraw/zinc/49/54/79/1028495479.db2.gz DJMOTXZCKCWMPH-YADHBBJMSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646545 1028495488 /nfs/dbraw/zinc/49/54/88/1028495488.db2.gz DJMOTXZCKCWMPH-YADHBBJMSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646545 1028495496 /nfs/dbraw/zinc/49/54/96/1028495496.db2.gz DJMOTXZCKCWMPH-YADHBBJMSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC001167646545 1028495504 /nfs/dbraw/zinc/49/55/04/1028495504.db2.gz DJMOTXZCKCWMPH-YADHBBJMSA-N 2 1 341.543 3.589 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000126061705 1028505320 /nfs/dbraw/zinc/50/53/20/1028505320.db2.gz KXORQLLZJWYOFD-AWEZNQCLSA-N 2 1 348.441 3.561 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414758119 1028587833 /nfs/dbraw/zinc/58/78/33/1028587833.db2.gz BXZPTSKSDMZQNW-ASFVYERGSA-N 2 1 348.490 3.964 20 0 EHADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414758119 1028587842 /nfs/dbraw/zinc/58/78/42/1028587842.db2.gz BXZPTSKSDMZQNW-ASFVYERGSA-N 2 1 348.490 3.964 20 0 EHADMP Cc1cccc(C)c1OC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000459381024 1028672079 /nfs/dbraw/zinc/67/20/79/1028672079.db2.gz BXNBLXQWNWSTLB-OAQYLSRUSA-N 2 1 349.478 3.989 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cnn1-c1ccc(F)cc1 ZINC000246889838 1028710045 /nfs/dbraw/zinc/71/00/45/1028710045.db2.gz DSXVZJAAUFFZAG-UCLAIMLFSA-N 2 1 344.478 3.843 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247047155 1028734587 /nfs/dbraw/zinc/73/45/87/1028734587.db2.gz NBPQSVSYAXHWBD-IAGOWNOFSA-N 2 1 326.488 3.645 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000532731986 1028761115 /nfs/dbraw/zinc/76/11/15/1028761115.db2.gz KMHVFCPJMBLQKH-XJKSGUPXSA-N 2 1 330.394 3.747 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000532731986 1028761126 /nfs/dbraw/zinc/76/11/26/1028761126.db2.gz KMHVFCPJMBLQKH-XJKSGUPXSA-N 2 1 330.394 3.747 20 0 EHADMP FC(F)(F)Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000631127510 1028792056 /nfs/dbraw/zinc/79/20/56/1028792056.db2.gz YRQNUMVHQCXQJQ-UHFFFAOYSA-N 2 1 326.406 3.898 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414776796 1028860461 /nfs/dbraw/zinc/86/04/61/1028860461.db2.gz HTFBAULNWHMLSC-RTBURBONSA-N 2 1 346.515 3.696 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248458127 1028909104 /nfs/dbraw/zinc/90/91/04/1028909104.db2.gz ULXYIAWTYPZVPE-FCHUYYIVSA-N 2 1 338.495 3.884 20 0 EHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4C)CC3)C[C@H]2C1 ZINC000424265691 1028920182 /nfs/dbraw/zinc/92/01/82/1028920182.db2.gz KDPQEZHEZNGGQA-PBSQBRCYSA-N 2 1 342.527 3.753 20 0 EHADMP Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000248883142 1028959353 /nfs/dbraw/zinc/95/93/53/1028959353.db2.gz LHJQFYMAEHIRJY-XICAJGIJSA-N 2 1 328.500 3.678 20 0 EHADMP Oc1ccccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249045406 1028979309 /nfs/dbraw/zinc/97/93/09/1028979309.db2.gz VYHMMXKQRRVCGK-MZADTFQBSA-N 2 1 336.479 3.720 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]1 ZINC000841008748 1029000080 /nfs/dbraw/zinc/00/00/80/1029000080.db2.gz BYYLSADPEHSGHE-UKAVVXHISA-N 2 1 330.516 3.743 20 0 EHADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1OCC ZINC000414785539 1029032229 /nfs/dbraw/zinc/03/22/29/1029032229.db2.gz STERKIHXKHLURC-MSOLQXFVSA-N 2 1 346.515 3.696 20 0 EHADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OCC(C)C ZINC000424368505 1029032935 /nfs/dbraw/zinc/03/29/35/1029032935.db2.gz ACSDTLVPPCRAKI-KRWDZBQOSA-N 2 1 346.515 3.694 20 0 EHADMP c1sc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787249 1029050412 /nfs/dbraw/zinc/05/04/12/1029050412.db2.gz VPUCFHJQSOHAOP-DLBZAZTESA-N 2 1 327.497 3.632 20 0 EHADMP Cn1cnc2cc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)ccc21 ZINC000271737578 1029146528 /nfs/dbraw/zinc/14/65/28/1029146528.db2.gz PLTSGMNJVHRGOI-FQEVSTJZSA-N 2 1 348.494 3.527 20 0 EHADMP Cn1cnc2cc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000271737578 1029146542 /nfs/dbraw/zinc/14/65/42/1029146542.db2.gz PLTSGMNJVHRGOI-FQEVSTJZSA-N 2 1 348.494 3.527 20 0 EHADMP Cn1cnc2cc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000271737578 1029146552 /nfs/dbraw/zinc/14/65/52/1029146552.db2.gz PLTSGMNJVHRGOI-FQEVSTJZSA-N 2 1 348.494 3.527 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310982564 1029189977 /nfs/dbraw/zinc/18/99/77/1029189977.db2.gz GESZWLZZSHRYFD-NJYVYQBISA-N 2 1 342.527 3.836 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000271853095 1029201634 /nfs/dbraw/zinc/20/16/34/1029201634.db2.gz MRBZQXHLRQBLLJ-MRXNPFEDSA-N 2 1 334.261 3.621 20 0 EHADMP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245782812 1029291644 /nfs/dbraw/zinc/29/16/44/1029291644.db2.gz ZEYPIJUCNQHBGX-HAGHYFMRSA-N 2 1 330.516 3.569 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816558 1029366557 /nfs/dbraw/zinc/36/65/57/1029366557.db2.gz PZSRDSDEHGFYQX-NPPFBWRTSA-N 3 1 337.511 3.849 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000414816558 1029366570 /nfs/dbraw/zinc/36/65/70/1029366570.db2.gz PZSRDSDEHGFYQX-NPPFBWRTSA-N 3 1 337.511 3.849 20 0 EHADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000245908818 1029461052 /nfs/dbraw/zinc/46/10/52/1029461052.db2.gz FRDXYWLEKRHORI-RTBURBONSA-N 2 1 340.515 3.683 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H]1c1cccs1 ZINC000245955684 1029516527 /nfs/dbraw/zinc/51/65/27/1029516527.db2.gz XFICLRCNTFGRQZ-CGHHPOIWSA-N 2 1 348.556 3.924 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H]1c1cccs1 ZINC000245955684 1029516533 /nfs/dbraw/zinc/51/65/33/1029516533.db2.gz XFICLRCNTFGRQZ-CGHHPOIWSA-N 2 1 348.556 3.924 20 0 EHADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000262128754 1029561583 /nfs/dbraw/zinc/56/15/83/1029561583.db2.gz XXVVNVBKFCGNQZ-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000262128754 1029561587 /nfs/dbraw/zinc/56/15/87/1029561587.db2.gz XXVVNVBKFCGNQZ-OAQYLSRUSA-N 2 1 340.442 3.590 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)[C@H](C)C1 ZINC000162373637 1029583168 /nfs/dbraw/zinc/58/31/68/1029583168.db2.gz YDKARPJKLNMGSX-HBFSDRIKSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)[C@H](C)C1 ZINC000162373637 1029583175 /nfs/dbraw/zinc/58/31/75/1029583175.db2.gz YDKARPJKLNMGSX-HBFSDRIKSA-N 2 1 348.531 3.791 20 0 EHADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000533308447 1029592979 /nfs/dbraw/zinc/59/29/79/1029592979.db2.gz VFNYVQBWFUFYCI-NHCUHLMSSA-N 2 1 343.559 3.773 20 0 EHADMP C[C@H](CN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000508696156 1029741534 /nfs/dbraw/zinc/74/15/34/1029741534.db2.gz IYVHCXKLEAYYFS-VMBXEPDQSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508696156 1029741537 /nfs/dbraw/zinc/74/15/37/1029741537.db2.gz IYVHCXKLEAYYFS-VMBXEPDQSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000508696156 1029741544 /nfs/dbraw/zinc/74/15/44/1029741544.db2.gz IYVHCXKLEAYYFS-VMBXEPDQSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714439 1029774755 /nfs/dbraw/zinc/77/47/55/1029774755.db2.gz HDLSUOMUYGRAFK-AZUAARDMSA-N 2 1 330.516 3.836 20 0 EHADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446744716 1029778256 /nfs/dbraw/zinc/77/82/56/1029778256.db2.gz OGZAJSMZFJKPQR-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446744716 1029778261 /nfs/dbraw/zinc/77/82/61/1029778261.db2.gz OGZAJSMZFJKPQR-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446744716 1029778269 /nfs/dbraw/zinc/77/82/69/1029778269.db2.gz OGZAJSMZFJKPQR-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP COc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1C ZINC000446760485 1029794257 /nfs/dbraw/zinc/79/42/57/1029794257.db2.gz UBXKLAHSMOOJCP-UHFFFAOYSA-N 2 1 339.483 3.747 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC4(CCC4)C3)CC2)cs1 ZINC000448058172 1029862593 /nfs/dbraw/zinc/86/25/93/1029862593.db2.gz JZVBWVGSXYJDRN-UHFFFAOYSA-N 2 1 333.545 3.840 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000089615225 1029952868 /nfs/dbraw/zinc/95/28/68/1029952868.db2.gz XSDKGYSGCSYYQM-JKSUJKDBSA-N 2 1 348.450 3.859 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705257 1029968276 /nfs/dbraw/zinc/96/82/76/1029968276.db2.gz ALQCADKEFNEUNP-IRFCIJBXSA-N 2 1 346.515 3.584 20 0 EHADMP C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453276729 1030012905 /nfs/dbraw/zinc/01/29/05/1030012905.db2.gz MXXLEQLLEQGZGJ-PSWRPDDJSA-N 2 1 344.543 3.675 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)ccn1 ZINC000453285642 1030028412 /nfs/dbraw/zinc/02/84/12/1030028412.db2.gz JXKPBELFCHCDKJ-BHDDXSALSA-N 2 1 335.495 3.923 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000090407983 1030111719 /nfs/dbraw/zinc/11/17/19/1030111719.db2.gz HCVLLGSQKHYQIJ-QAPCUYQASA-N 2 1 329.513 3.667 20 0 EHADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000090407983 1030111728 /nfs/dbraw/zinc/11/17/28/1030111728.db2.gz HCVLLGSQKHYQIJ-QAPCUYQASA-N 2 1 329.513 3.667 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c2nccn21 ZINC000453333712 1030112061 /nfs/dbraw/zinc/11/20/61/1030112061.db2.gz BWBKAJUOETVFIH-SGZDXZSOSA-N 2 1 338.499 3.922 20 0 EHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000453339800 1030123981 /nfs/dbraw/zinc/12/39/81/1030123981.db2.gz GVUDWNIZYBEMTN-HMQMGEFJSA-N 2 1 349.316 3.960 20 0 EHADMP CCCc1ncc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000453356996 1030151620 /nfs/dbraw/zinc/15/16/20/1030151620.db2.gz DOXXHEBEXWJGHI-REPLKXPHSA-N 2 1 339.483 3.912 20 0 EHADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000650719264 1030157683 /nfs/dbraw/zinc/15/76/83/1030157683.db2.gz JQHOPDUEJKPPCL-UTKZUKDTSA-N 3 1 329.532 3.539 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1 ZINC000090810206 1030185618 /nfs/dbraw/zinc/18/56/18/1030185618.db2.gz YETOFMYLTFQZPU-DNVCBOLYSA-N 2 1 329.488 3.874 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121209476 1030206266 /nfs/dbraw/zinc/20/62/66/1030206266.db2.gz WOEQRAVMKIXRQI-HBMCJLEFSA-N 2 1 342.527 3.964 20 0 EHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000121223959 1030213250 /nfs/dbraw/zinc/21/32/50/1030213250.db2.gz YDTXGXOKCQEHDI-GDBMZVCRSA-N 2 1 326.431 3.541 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657774221 1030260903 /nfs/dbraw/zinc/26/09/03/1030260903.db2.gz XRMGFRDJMGSVNW-QHAWAJNXSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453598496 1030360158 /nfs/dbraw/zinc/36/01/58/1030360158.db2.gz PLCSLHQPFFWZBG-UHFFFAOYSA-N 2 1 340.515 3.512 20 0 EHADMP CCn1nc(C)c(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000121801625 1030397132 /nfs/dbraw/zinc/39/71/32/1030397132.db2.gz KJPQYZYATCRJBU-OAQYLSRUSA-N 2 1 340.515 3.664 20 0 EHADMP Cc1ncc(CN(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000668043641 1030405591 /nfs/dbraw/zinc/40/55/91/1030405591.db2.gz XXBXCVNIZHRPOU-LLVKDONJSA-N 2 1 342.270 3.935 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000526083911 1030407076 /nfs/dbraw/zinc/40/70/76/1030407076.db2.gz QEQWKNMMZRICTH-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000526083911 1030407082 /nfs/dbraw/zinc/40/70/82/1030407082.db2.gz QEQWKNMMZRICTH-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000526083911 1030407091 /nfs/dbraw/zinc/40/70/91/1030407091.db2.gz QEQWKNMMZRICTH-WMLDXEAASA-N 2 1 339.321 3.920 20 0 EHADMP CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000482488209 1030471436 /nfs/dbraw/zinc/47/14/36/1030471436.db2.gz PYBMAVKUFGODDK-XLIONFOSSA-N 2 1 329.532 3.837 20 0 EHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCCO2)CC3)cc1 ZINC000378301760 1030486668 /nfs/dbraw/zinc/48/66/68/1030486668.db2.gz PCKOXCYBBKMLEQ-HXUWFJFHSA-N 2 1 328.500 3.544 20 0 EHADMP CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)[NH+](CC)CC)cc1 ZINC000550847941 1030529245 /nfs/dbraw/zinc/52/92/45/1030529245.db2.gz QVBWLIINHLDRMU-QMMLZNLJSA-N 2 1 331.548 3.562 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000527075109 1030629998 /nfs/dbraw/zinc/62/99/98/1030629998.db2.gz CJXRUUWDKFCSBH-UHFFFAOYSA-N 2 1 344.478 3.565 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000482708958 1030656617 /nfs/dbraw/zinc/65/66/17/1030656617.db2.gz AFNYCQDIFRYGBD-JBACZVJFSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708958 1030656628 /nfs/dbraw/zinc/65/66/28/1030656628.db2.gz AFNYCQDIFRYGBD-JBACZVJFSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708958 1030656634 /nfs/dbraw/zinc/65/66/34/1030656634.db2.gz AFNYCQDIFRYGBD-JBACZVJFSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708958 1030656639 /nfs/dbraw/zinc/65/66/39/1030656639.db2.gz AFNYCQDIFRYGBD-JBACZVJFSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000482708958 1030656648 /nfs/dbraw/zinc/65/66/48/1030656648.db2.gz AFNYCQDIFRYGBD-JBACZVJFSA-N 2 1 332.532 3.768 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000568169286 1030921704 /nfs/dbraw/zinc/92/17/04/1030921704.db2.gz GNZHASSTJBEPAZ-CQSZACIVSA-N 2 1 335.854 3.852 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000568169286 1030921718 /nfs/dbraw/zinc/92/17/18/1030921718.db2.gz GNZHASSTJBEPAZ-CQSZACIVSA-N 2 1 335.854 3.852 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000551029886 1030941060 /nfs/dbraw/zinc/94/10/60/1030941060.db2.gz CEUZFSKVQCNSAI-AZUAARDMSA-N 2 1 342.458 3.802 20 0 EHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000551029886 1030941070 /nfs/dbraw/zinc/94/10/70/1030941070.db2.gz CEUZFSKVQCNSAI-AZUAARDMSA-N 2 1 342.458 3.802 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000278474001 1031012115 /nfs/dbraw/zinc/01/21/15/1031012115.db2.gz ODSRXACWUAWNBW-RXVVDRJESA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278474001 1031012134 /nfs/dbraw/zinc/01/21/34/1031012134.db2.gz ODSRXACWUAWNBW-RXVVDRJESA-N 3 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000278489065 1031070156 /nfs/dbraw/zinc/07/01/56/1031070156.db2.gz BGYUUZVKYSGCAD-HUUCEWRRSA-N 2 1 331.485 3.740 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657806716 1031115621 /nfs/dbraw/zinc/11/56/21/1031115621.db2.gz KMSXOGMNGAKFLO-JOCHJYFZSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657806716 1031115632 /nfs/dbraw/zinc/11/56/32/1031115632.db2.gz KMSXOGMNGAKFLO-JOCHJYFZSA-N 2 1 341.543 3.648 20 0 EHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476979299 1031145749 /nfs/dbraw/zinc/14/57/49/1031145749.db2.gz DRMALCUHQUQLBS-DLBZAZTESA-N 2 1 338.536 3.693 20 0 EHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476979299 1031145771 /nfs/dbraw/zinc/14/57/71/1031145771.db2.gz DRMALCUHQUQLBS-DLBZAZTESA-N 2 1 338.536 3.693 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483481623 1031190348 /nfs/dbraw/zinc/19/03/48/1031190348.db2.gz PVKLCOKUKUWHGC-JKIFEVAISA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483481623 1031190357 /nfs/dbraw/zinc/19/03/57/1031190357.db2.gz PVKLCOKUKUWHGC-JKIFEVAISA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483481623 1031190363 /nfs/dbraw/zinc/19/03/63/1031190363.db2.gz PVKLCOKUKUWHGC-JKIFEVAISA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483481623 1031190374 /nfs/dbraw/zinc/19/03/74/1031190374.db2.gz PVKLCOKUKUWHGC-JKIFEVAISA-N 2 1 337.305 3.926 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000483494969 1031193074 /nfs/dbraw/zinc/19/30/74/1031193074.db2.gz WZFCDIPWQWWEBA-SUMWQHHRSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000483494969 1031193079 /nfs/dbraw/zinc/19/30/79/1031193079.db2.gz WZFCDIPWQWWEBA-SUMWQHHRSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000483494969 1031193084 /nfs/dbraw/zinc/19/30/84/1031193084.db2.gz WZFCDIPWQWWEBA-SUMWQHHRSA-N 2 1 343.298 3.788 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCOC34CCCC4)C2)cc1 ZINC000903083690 1031225455 /nfs/dbraw/zinc/22/54/55/1031225455.db2.gz LUSZBEMZHRAPHG-UXHICEINSA-N 2 1 328.500 3.590 20 0 EHADMP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903180277 1031269569 /nfs/dbraw/zinc/26/95/69/1031269569.db2.gz ZAUWQFZWZWWVLH-SHFXZJCHSA-N 2 1 348.918 3.817 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCc2ccc(F)cc21 ZINC000668291577 1031404315 /nfs/dbraw/zinc/40/43/15/1031404315.db2.gz PNWLEPXGIBBUKU-OAHLLOKOSA-N 2 1 336.414 3.568 20 0 EHADMP CCC(CC)(CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000484125362 1031459341 /nfs/dbraw/zinc/45/93/41/1031459341.db2.gz BNQCRYYFGJVTEJ-WSTZPKSXSA-N 2 1 331.548 3.826 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000545186702 1031470030 /nfs/dbraw/zinc/47/00/30/1031470030.db2.gz MSZJPVJTBRCCAK-SFHVURJKSA-N 2 1 340.467 3.741 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000545186702 1031470040 /nfs/dbraw/zinc/47/00/40/1031470040.db2.gz MSZJPVJTBRCCAK-SFHVURJKSA-N 2 1 340.467 3.741 20 0 EHADMP COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527949565 1031478613 /nfs/dbraw/zinc/47/86/13/1031478613.db2.gz OFXYOYFBCHSTDU-CRAIPNDOSA-N 2 1 332.488 3.761 20 0 EHADMP COc1ccc([C@@H](C)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527949565 1031478618 /nfs/dbraw/zinc/47/86/18/1031478618.db2.gz OFXYOYFBCHSTDU-CRAIPNDOSA-N 2 1 332.488 3.761 20 0 EHADMP Cc1ccc(N2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)[nH+]c1 ZINC000484173414 1031486078 /nfs/dbraw/zinc/48/60/78/1031486078.db2.gz HBBRFEYSJTYEMF-UHFFFAOYSA-N 2 1 325.500 3.773 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000527929251 1031491911 /nfs/dbraw/zinc/49/19/11/1031491911.db2.gz PHGVHHXPNUALAM-KJJMTIBFSA-N 2 1 342.527 3.693 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(C(F)(F)F)c1 ZINC000484281292 1031508362 /nfs/dbraw/zinc/50/83/62/1031508362.db2.gz JXFAAQLDLDSJPB-NUEKZKHPSA-N 2 1 344.421 3.935 20 0 EHADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000484278472 1031514859 /nfs/dbraw/zinc/51/48/59/1031514859.db2.gz OWCVNNCCUCYIJX-QUWFBVPJSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3cn(C)nc3c2)CC1 ZINC000527961258 1031527479 /nfs/dbraw/zinc/52/74/79/1031527479.db2.gz HYLRDWQELXLEMB-IERDGZPVSA-N 2 1 340.515 3.706 20 0 EHADMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000528010216 1031589313 /nfs/dbraw/zinc/58/93/13/1031589313.db2.gz LWQZEEPLOMRTAF-SUYBPPKGSA-N 2 1 344.330 3.668 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000584052878 1031595162 /nfs/dbraw/zinc/59/51/62/1031595162.db2.gz KZOKJOOGNFXYSZ-HXUWFJFHSA-N 2 1 342.527 3.980 20 0 EHADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000584052878 1031595170 /nfs/dbraw/zinc/59/51/70/1031595170.db2.gz KZOKJOOGNFXYSZ-HXUWFJFHSA-N 2 1 342.527 3.980 20 0 EHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000657825602 1031640324 /nfs/dbraw/zinc/64/03/24/1031640324.db2.gz OGEJCHWMDVVGIT-MRXNPFEDSA-N 2 1 339.321 3.844 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153114 1031861712 /nfs/dbraw/zinc/86/17/12/1031861712.db2.gz SAXCSTNEKRGNMT-UBAMBOTJSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180153114 1031861724 /nfs/dbraw/zinc/86/17/24/1031861724.db2.gz SAXCSTNEKRGNMT-UBAMBOTJSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153114 1031861735 /nfs/dbraw/zinc/86/17/35/1031861735.db2.gz SAXCSTNEKRGNMT-UBAMBOTJSA-N 3 1 341.543 3.644 20 0 EHADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000353516722 1031938247 /nfs/dbraw/zinc/93/82/47/1031938247.db2.gz JIVGUGZMYXBTLA-CQSZACIVSA-N 2 1 326.506 3.694 20 0 EHADMP CC(C)(C)CC[C@@H]([NH3+])CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000904349004 1031967428 /nfs/dbraw/zinc/96/74/28/1031967428.db2.gz ZFYSPQXUYFZNDL-QGZVFWFLSA-N 2 1 332.536 3.552 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376655 1032007341 /nfs/dbraw/zinc/00/73/41/1032007341.db2.gz WNUXHRUUUFODDM-COXVUDFISA-N 2 1 342.405 3.624 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)CC[C@@H]1C[NH3+] ZINC000904410864 1032023483 /nfs/dbraw/zinc/02/34/83/1032023483.db2.gz QYKDOQOTMBUIPX-RKDXNWHRSA-N 2 1 337.714 3.581 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)CC[C@@H]1C[NH3+] ZINC000904410864 1032023501 /nfs/dbraw/zinc/02/35/01/1032023501.db2.gz QYKDOQOTMBUIPX-RKDXNWHRSA-N 2 1 337.714 3.581 20 0 EHADMP COc1ccc2oc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc2c1 ZINC000536652442 1032033229 /nfs/dbraw/zinc/03/32/29/1032033229.db2.gz MIZBNWQGCXECPP-UHFFFAOYSA-N 2 1 330.472 3.994 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470819 1033372258 /nfs/dbraw/zinc/37/22/58/1033372258.db2.gz UMMDUOKUQRHVOT-DOTOQJQBSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000685470819 1033372270 /nfs/dbraw/zinc/37/22/70/1033372270.db2.gz UMMDUOKUQRHVOT-DOTOQJQBSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000685470819 1033372285 /nfs/dbraw/zinc/37/22/85/1033372285.db2.gz UMMDUOKUQRHVOT-DOTOQJQBSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000136307575 1033410477 /nfs/dbraw/zinc/41/04/77/1033410477.db2.gz VHRNIJXZJXTPJD-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000136307575 1033410486 /nfs/dbraw/zinc/41/04/86/1033410486.db2.gz VHRNIJXZJXTPJD-UHFFFAOYSA-N 2 1 341.377 3.655 20 0 EHADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000472337420 1033465838 /nfs/dbraw/zinc/46/58/38/1033465838.db2.gz HZTWQWTWRKRHKH-NHCUHLMSSA-N 2 1 340.515 3.636 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168414059 1033564433 /nfs/dbraw/zinc/56/44/33/1033564433.db2.gz BYMISBOARUQTLT-IERDGZPVSA-N 2 1 326.459 3.780 20 0 EHADMP CCN(Cc1oc(C)nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685565589 1033568778 /nfs/dbraw/zinc/56/87/78/1033568778.db2.gz IOZVFDPQWNZZEN-LJQANCHMSA-N 2 1 327.472 3.635 20 0 EHADMP C[NH+](C)C1CCC([NH2+][C@H](C(=O)OC(C)(C)C)C2CCCCC2)CC1 ZINC001168298371 1033573834 /nfs/dbraw/zinc/57/38/34/1033573834.db2.gz PMBAKGYUISIIJU-ABHNRTSZSA-N 2 1 338.536 3.739 20 0 EHADMP C[N@H+]1CC[C@@H](NCc2ccc(C(=O)OC(C)(C)C)cc2)CC1(C)C ZINC000598960905 1033596755 /nfs/dbraw/zinc/59/67/55/1033596755.db2.gz HGPSGQKSYXWSAD-QGZVFWFLSA-N 2 1 332.488 3.604 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1(C)C ZINC000598960905 1033596758 /nfs/dbraw/zinc/59/67/58/1033596758.db2.gz HGPSGQKSYXWSAD-QGZVFWFLSA-N 2 1 332.488 3.604 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598964625 1033599763 /nfs/dbraw/zinc/59/97/63/1033599763.db2.gz JNYSXWUCHOYALB-UHFFFAOYSA-N 2 1 349.500 3.778 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550621343 1033736846 /nfs/dbraw/zinc/73/68/46/1033736846.db2.gz JLDGLTVVBKTTCZ-QUCCMNQESA-N 2 1 328.431 3.630 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550621343 1033736853 /nfs/dbraw/zinc/73/68/53/1033736853.db2.gz JLDGLTVVBKTTCZ-QUCCMNQESA-N 2 1 328.431 3.630 20 0 EHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550644645 1033809968 /nfs/dbraw/zinc/80/99/68/1033809968.db2.gz WMSCCXJJWSHIKZ-KOUHRCEDSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550644645 1033809982 /nfs/dbraw/zinc/80/99/82/1033809982.db2.gz WMSCCXJJWSHIKZ-KOUHRCEDSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550644645 1033809995 /nfs/dbraw/zinc/80/99/95/1033809995.db2.gz WMSCCXJJWSHIKZ-KOUHRCEDSA-N 2 1 329.532 3.674 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000550665924 1033836604 /nfs/dbraw/zinc/83/66/04/1033836604.db2.gz RRFFOVDWMYTESR-ZJOUEHCJSA-N 2 1 336.479 3.978 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000550665924 1033836615 /nfs/dbraw/zinc/83/66/15/1033836615.db2.gz RRFFOVDWMYTESR-ZJOUEHCJSA-N 2 1 336.479 3.978 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658054491 1033886647 /nfs/dbraw/zinc/88/66/47/1033886647.db2.gz CNOYNGFZPFSLNW-UMYVSVPQSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1C ZINC000658141676 1033987500 /nfs/dbraw/zinc/98/75/00/1033987500.db2.gz SZWAJPPBEUOKRA-RXVVDRJESA-N 2 1 338.495 3.721 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658139107 1034005621 /nfs/dbraw/zinc/00/56/21/1034005621.db2.gz KVGAUJPJMQPZJL-WIYYLYMNSA-N 2 1 338.495 3.721 20 0 EHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000599657280 1034089512 /nfs/dbraw/zinc/08/95/12/1034089512.db2.gz DQKFGQFHBCKPCI-HNNXBMFYSA-N 2 1 344.455 3.711 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2ccccc2[nH]1 ZINC000120897807 1034204461 /nfs/dbraw/zinc/20/44/61/1034204461.db2.gz BCUXRKHUEXIVJW-UHFFFAOYSA-N 2 1 349.482 3.696 20 0 EHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1nccn1C ZINC000658339401 1034217439 /nfs/dbraw/zinc/21/74/39/1034217439.db2.gz RLQAXUBFAMAKBW-IPJUCJBFSA-N 2 1 326.488 3.514 20 0 EHADMP COc1cccc([C@@H]2CSCC[N@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168329878 1034226569 /nfs/dbraw/zinc/22/65/69/1034226569.db2.gz JWIKBSHZTKGVIX-TVPLGVNVSA-N 2 1 334.529 3.658 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000658364209 1034238616 /nfs/dbraw/zinc/23/86/16/1034238616.db2.gz YLGWBBAQNFJCOI-GCKMJXCFSA-N 2 1 335.451 3.953 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892453193 1034375213 /nfs/dbraw/zinc/37/52/13/1034375213.db2.gz DTQQFLHNDMSIAI-WMLDXEAASA-N 2 1 326.406 3.814 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340315592 1034483260 /nfs/dbraw/zinc/48/32/60/1034483260.db2.gz HWGLFBZCMYRNQE-HOJAQTOUSA-N 2 1 330.516 3.600 20 0 EHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340315592 1034483267 /nfs/dbraw/zinc/48/32/67/1034483267.db2.gz HWGLFBZCMYRNQE-HOJAQTOUSA-N 2 1 330.516 3.600 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)ccc1C ZINC000450603041 1034555046 /nfs/dbraw/zinc/55/50/46/1034555046.db2.gz SFJSWPRFSHJEHT-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)ccc1C ZINC000450603041 1034555054 /nfs/dbraw/zinc/55/50/54/1034555054.db2.gz SFJSWPRFSHJEHT-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000597228736 1034607713 /nfs/dbraw/zinc/60/77/13/1034607713.db2.gz GHKURVIJJALVBS-GUDVDZBRSA-N 2 1 330.541 3.772 20 0 EHADMP C[C@H](NCc1ccccc1OC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725172 1034717339 /nfs/dbraw/zinc/71/73/39/1034717339.db2.gz HXGJKRWZWYFVFM-FUHWJXTLSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450725172 1034717352 /nfs/dbraw/zinc/71/73/52/1034717352.db2.gz HXGJKRWZWYFVFM-FUHWJXTLSA-N 2 1 328.500 3.970 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450725172 1034717367 /nfs/dbraw/zinc/71/73/67/1034717367.db2.gz HXGJKRWZWYFVFM-FUHWJXTLSA-N 2 1 328.500 3.970 20 0 EHADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC ZINC000643973794 1035221579 /nfs/dbraw/zinc/22/15/79/1035221579.db2.gz WKEPGKJRQGBRBB-DLBZAZTESA-N 2 1 346.515 3.837 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000376079528 1035227987 /nfs/dbraw/zinc/22/79/87/1035227987.db2.gz HKMFCIJCHJTCAT-UXHICEINSA-N 2 1 340.515 3.688 20 0 EHADMP c1nn2ccccc2c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376121869 1035300169 /nfs/dbraw/zinc/30/01/69/1035300169.db2.gz BPINTQOUHBOVEN-MZADTFQBSA-N 2 1 346.478 3.620 20 0 EHADMP c1nn2ccccc2c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376121869 1035300173 /nfs/dbraw/zinc/30/01/73/1035300173.db2.gz BPINTQOUHBOVEN-MZADTFQBSA-N 2 1 346.478 3.620 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccn(C)n1 ZINC000414075763 1035446898 /nfs/dbraw/zinc/44/68/98/1035446898.db2.gz XSILJQBCXFQQQE-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccn(C)n1 ZINC000414075763 1035446902 /nfs/dbraw/zinc/44/69/02/1035446902.db2.gz XSILJQBCXFQQQE-SJORKVTESA-N 2 1 326.488 3.645 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(C)(C)O1 ZINC000310279900 1035473197 /nfs/dbraw/zinc/47/31/97/1035473197.db2.gz KRCTVWUGAHREPV-RBUKOAKNSA-N 2 1 330.516 3.834 20 0 EHADMP Clc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846805 1035513842 /nfs/dbraw/zinc/51/38/42/1035513842.db2.gz XYYBXXMAHIYJMB-VHSXEESVSA-N 2 1 349.725 3.880 20 0 EHADMP Clc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000227846805 1035513849 /nfs/dbraw/zinc/51/38/49/1035513849.db2.gz XYYBXXMAHIYJMB-VHSXEESVSA-N 2 1 349.725 3.880 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000173226832 1035568671 /nfs/dbraw/zinc/56/86/71/1035568671.db2.gz DFVNIGJNZGOUHB-QFIPXVFZSA-N 2 1 336.479 3.937 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136939 1035717605 /nfs/dbraw/zinc/71/76/05/1035717605.db2.gz JHBXMBMTYNIHNZ-QCFAMHMHSA-N 2 1 342.527 3.549 20 0 EHADMP CC[N@H+](Cc1ccc(C)nc1C)CC1CCN(c2ccccn2)CC1 ZINC000187101761 1035761543 /nfs/dbraw/zinc/76/15/43/1035761543.db2.gz RTPOKDOYSZWSFE-UHFFFAOYSA-N 2 1 338.499 3.832 20 0 EHADMP Cc1cnccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000571877643 1035770274 /nfs/dbraw/zinc/77/02/74/1035770274.db2.gz LJGJHHGDVCFBON-UHFFFAOYSA-N 2 1 337.511 3.777 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463643 1035823423 /nfs/dbraw/zinc/82/34/23/1035823423.db2.gz JDMGNKKIRXBONQ-IEBWSBKVSA-N 2 1 342.458 3.705 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000414169004 1035863939 /nfs/dbraw/zinc/86/39/39/1035863939.db2.gz ASJSJZQRMMQJTL-OXJNMPFZSA-N 2 1 327.447 3.632 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414182496 1035925290 /nfs/dbraw/zinc/92/52/90/1035925290.db2.gz NIKIROOXOOXQOS-GJZGRUSLSA-N 2 1 326.431 3.979 20 0 EHADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000414187099 1035967633 /nfs/dbraw/zinc/96/76/33/1035967633.db2.gz PPPJBDYFMFRCDF-RDTXWAMCSA-N 2 1 331.460 3.552 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000414187756 1035970198 /nfs/dbraw/zinc/97/01/98/1035970198.db2.gz PWSPDFUOGAHFJN-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000414207839 1036071989 /nfs/dbraw/zinc/07/19/89/1036071989.db2.gz KKLAXMKVBVVYPZ-KCLUMXDGSA-N 2 1 330.516 3.692 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415634 1036083189 /nfs/dbraw/zinc/08/31/89/1036083189.db2.gz AEXXWTULAQJHFG-PXNSSMCTSA-N 2 1 343.902 3.950 20 0 EHADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000300422269 1036113973 /nfs/dbraw/zinc/11/39/73/1036113973.db2.gz GAUKGJMXZZJUHK-STQMWFEESA-N 2 1 343.696 3.819 20 0 EHADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000300422269 1036113983 /nfs/dbraw/zinc/11/39/83/1036113983.db2.gz GAUKGJMXZZJUHK-STQMWFEESA-N 2 1 343.696 3.819 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)C1 ZINC000492691089 1036177563 /nfs/dbraw/zinc/17/75/63/1036177563.db2.gz JVAOLHPMEYJPBM-LRGNLBRXSA-N 2 1 343.515 3.544 20 0 EHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)C1 ZINC000492691090 1036178666 /nfs/dbraw/zinc/17/86/66/1036178666.db2.gz JVAOLHPMEYJPBM-NASSWSRMSA-N 2 1 343.515 3.544 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)CC3 ZINC000491316449 1036232957 /nfs/dbraw/zinc/23/29/57/1036232957.db2.gz LEYWLPOEJXNMIQ-INIZCTEOSA-N 2 1 325.500 3.798 20 0 EHADMP CCc1ncc(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)cn1 ZINC000414282232 1036444290 /nfs/dbraw/zinc/44/42/90/1036444290.db2.gz HBBHMWHQPVBSGK-QGZVFWFLSA-N 2 1 338.499 3.703 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)cn1 ZINC000414282232 1036444305 /nfs/dbraw/zinc/44/43/05/1036444305.db2.gz HBBHMWHQPVBSGK-QGZVFWFLSA-N 2 1 338.499 3.703 20 0 EHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cn1 ZINC000414282232 1036444316 /nfs/dbraw/zinc/44/43/16/1036444316.db2.gz HBBHMWHQPVBSGK-QGZVFWFLSA-N 2 1 338.499 3.703 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1C(F)(F)F ZINC000414292030 1036503101 /nfs/dbraw/zinc/50/31/01/1036503101.db2.gz OMYBITYUBSBDNF-UHFFFAOYSA-N 2 1 326.406 3.978 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414297965 1036517507 /nfs/dbraw/zinc/51/75/07/1036517507.db2.gz ICQJHJHLIOCFJH-UHFFFAOYSA-N 2 1 344.478 3.674 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000398111739 1036521400 /nfs/dbraw/zinc/52/14/00/1036521400.db2.gz OEJSGUPOMTYXCM-AYWYSENESA-N 2 1 342.527 3.834 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000398111739 1036521407 /nfs/dbraw/zinc/52/14/07/1036521407.db2.gz OEJSGUPOMTYXCM-AYWYSENESA-N 2 1 342.527 3.834 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000589646775 1036576282 /nfs/dbraw/zinc/57/62/82/1036576282.db2.gz NERLZQOUAZZSRU-SFHVURJKSA-N 2 1 334.467 3.565 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000589646775 1036576294 /nfs/dbraw/zinc/57/62/94/1036576294.db2.gz NERLZQOUAZZSRU-SFHVURJKSA-N 2 1 334.467 3.565 20 0 EHADMP Fc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001168396925 1036722441 /nfs/dbraw/zinc/72/24/41/1036722441.db2.gz JVWGMBFDRODJPW-QFIPXVFZSA-N 2 1 338.470 3.937 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000539506412 1036825171 /nfs/dbraw/zinc/82/51/71/1036825171.db2.gz FEMIHAOMFVCQMV-WBMJQRKESA-N 2 1 335.289 3.849 20 0 EHADMP CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000539545475 1036895944 /nfs/dbraw/zinc/89/59/44/1036895944.db2.gz MMBGOKVUGYDDFF-VQTJNVASSA-N 2 1 332.532 3.938 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000310875011 1036919302 /nfs/dbraw/zinc/91/93/02/1036919302.db2.gz VARDKJRDUWQLBJ-ZIBCJSCZSA-N 2 1 342.527 3.834 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994650 1036938132 /nfs/dbraw/zinc/93/81/32/1036938132.db2.gz TXTJEYPFISFATE-NYVOZVTQSA-N 2 1 338.495 3.874 20 0 EHADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000310994650 1036938147 /nfs/dbraw/zinc/93/81/47/1036938147.db2.gz TXTJEYPFISFATE-NYVOZVTQSA-N 2 1 338.495 3.874 20 0 EHADMP FC(F)Oc1cccc(Cl)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542164 1037071982 /nfs/dbraw/zinc/07/19/82/1037071982.db2.gz GPSSLRGSYBJREY-ZDUSSCGKSA-N 2 1 344.833 3.763 20 0 EHADMP Brc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543792 1037095050 /nfs/dbraw/zinc/09/50/50/1037095050.db2.gz SACYNUABAFXHAC-STQMWFEESA-N 2 1 343.334 3.722 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000532442336 1037291166 /nfs/dbraw/zinc/29/11/66/1037291166.db2.gz PBWNBXWDFVGSFS-IEBWSBKVSA-N 2 1 343.540 3.696 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464591 1037368158 /nfs/dbraw/zinc/36/81/58/1037368158.db2.gz JUUMYQMKNWLLSA-WOIUINJBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464591 1037368172 /nfs/dbraw/zinc/36/81/72/1037368172.db2.gz JUUMYQMKNWLLSA-WOIUINJBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464591 1037368185 /nfs/dbraw/zinc/36/81/85/1037368185.db2.gz JUUMYQMKNWLLSA-WOIUINJBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000532464591 1037368196 /nfs/dbraw/zinc/36/81/96/1037368196.db2.gz JUUMYQMKNWLLSA-WOIUINJBSA-N 2 1 343.559 3.881 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000462803017 1037423222 /nfs/dbraw/zinc/42/32/22/1037423222.db2.gz PHXRWBIJVFFLEB-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000462803017 1037423231 /nfs/dbraw/zinc/42/32/31/1037423231.db2.gz PHXRWBIJVFFLEB-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000462803017 1037423237 /nfs/dbraw/zinc/42/32/37/1037423237.db2.gz PHXRWBIJVFFLEB-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000462803017 1037423246 /nfs/dbraw/zinc/42/32/46/1037423246.db2.gz PHXRWBIJVFFLEB-APWZRJJASA-N 2 1 346.515 3.804 20 0 EHADMP CC1CC[NH+](CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000493607136 1037508679 /nfs/dbraw/zinc/50/86/79/1037508679.db2.gz UMJQIDNEZNZYCI-UHFFFAOYSA-N 2 1 343.559 3.562 20 0 EHADMP CC1CCN(CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000493607136 1037508685 /nfs/dbraw/zinc/50/86/85/1037508685.db2.gz UMJQIDNEZNZYCI-UHFFFAOYSA-N 2 1 343.559 3.562 20 0 EHADMP CC1CCN(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000493607136 1037508699 /nfs/dbraw/zinc/50/86/99/1037508699.db2.gz UMJQIDNEZNZYCI-UHFFFAOYSA-N 2 1 343.559 3.562 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1C(F)(F)F ZINC000623934802 1037576028 /nfs/dbraw/zinc/57/60/28/1037576028.db2.gz DWVKGMRKHGLIAE-ZYHUDNBSSA-N 2 1 327.325 3.707 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148484 1037605607 /nfs/dbraw/zinc/60/56/07/1037605607.db2.gz PXBZPLWLWXBRIB-DLBZAZTESA-N 2 1 335.511 3.910 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000540148484 1037605616 /nfs/dbraw/zinc/60/56/16/1037605616.db2.gz PXBZPLWLWXBRIB-DLBZAZTESA-N 2 1 335.511 3.910 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000540171676 1037639449 /nfs/dbraw/zinc/63/94/49/1037639449.db2.gz VOHGQTFEQDGDOK-RXVVDRJESA-N 2 1 337.511 3.753 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@H](C)C1 ZINC000540171376 1037640346 /nfs/dbraw/zinc/64/03/46/1037640346.db2.gz VDWLJNXCORRXQY-TZIWHRDSSA-N 2 1 346.559 3.982 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)C1 ZINC000540165825 1037649896 /nfs/dbraw/zinc/64/98/96/1037649896.db2.gz WYTVXNFBZGRRFP-KKSFZXQISA-N 2 1 328.500 3.850 20 0 EHADMP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000463133564 1037796202 /nfs/dbraw/zinc/79/62/02/1037796202.db2.gz UKIQLHAHWBOXIM-UHFFFAOYSA-N 2 1 349.950 3.768 20 0 EHADMP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000463148374 1037815421 /nfs/dbraw/zinc/81/54/21/1037815421.db2.gz SDHGOWJTLXTHNQ-UXHICEINSA-N 2 1 343.559 3.546 20 0 EHADMP CCC[N@H+](CC)CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203241 1037891364 /nfs/dbraw/zinc/89/13/64/1037891364.db2.gz DYCHQBHFUIBDNT-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP CCC[N@@H+](CC)CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203241 1037891384 /nfs/dbraw/zinc/89/13/84/1037891384.db2.gz DYCHQBHFUIBDNT-UHFFFAOYSA-N 2 1 337.939 3.626 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1SC ZINC000592394568 1037936737 /nfs/dbraw/zinc/93/67/37/1037936737.db2.gz ILLXOECIQAOHIO-CJODITQLSA-N 2 1 345.512 3.740 20 0 EHADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463252711 1037956606 /nfs/dbraw/zinc/95/66/06/1037956606.db2.gz SRFODNHKVXLAFW-PZJWPPBQSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cn(C)cn1 ZINC000924667440 1038378746 /nfs/dbraw/zinc/37/87/46/1038378746.db2.gz KEUYTIYGDFFUTG-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cn(C)cn1 ZINC000924667440 1038378760 /nfs/dbraw/zinc/37/87/60/1038378760.db2.gz KEUYTIYGDFFUTG-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cn(C)cn1 ZINC000924667440 1038378768 /nfs/dbraw/zinc/37/87/68/1038378768.db2.gz KEUYTIYGDFFUTG-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP Clc1cnc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000648377539 1038480280 /nfs/dbraw/zinc/48/02/80/1038480280.db2.gz LNVFFWJTOAUEOF-AWEZNQCLSA-N 2 1 333.863 3.789 20 0 EHADMP Clc1cnc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000648377539 1038480286 /nfs/dbraw/zinc/48/02/86/1038480286.db2.gz LNVFFWJTOAUEOF-AWEZNQCLSA-N 2 1 333.863 3.789 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000538750297 1038513878 /nfs/dbraw/zinc/51/38/78/1038513878.db2.gz PINPJHPTMNJTAU-UHFFFAOYSA-N 2 1 348.531 3.574 20 0 EHADMP COC[C@H](CC(C)C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539039477 1038648429 /nfs/dbraw/zinc/64/84/29/1038648429.db2.gz CHLYDAQMCFTYLJ-JBACZVJFSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3N(C)C)CC2)C1 ZINC000539070165 1038670673 /nfs/dbraw/zinc/67/06/73/1038670673.db2.gz HOXINABUHWYVOG-PXNSSMCTSA-N 2 1 329.532 3.885 20 0 EHADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000552047265 1038913527 /nfs/dbraw/zinc/91/35/27/1038913527.db2.gz GBMYULWLFDCRQY-SXLOBPIMSA-N 2 1 342.527 3.969 20 0 EHADMP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552097438 1038983229 /nfs/dbraw/zinc/98/32/29/1038983229.db2.gz BSSJNWMTFBRURA-FQEVSTJZSA-N 2 1 349.950 3.768 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552097438 1038983247 /nfs/dbraw/zinc/98/32/47/1038983247.db2.gz BSSJNWMTFBRURA-FQEVSTJZSA-N 2 1 349.950 3.768 20 0 EHADMP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000093089381 1039013808 /nfs/dbraw/zinc/01/38/08/1039013808.db2.gz OBJSJXIPLZMRCD-UHFFFAOYSA-N 2 1 332.822 3.715 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552252305 1039129986 /nfs/dbraw/zinc/12/99/86/1039129986.db2.gz IBTIEHDHAZHLEY-CYGHRXIMSA-N 2 1 336.907 3.960 20 0 EHADMP COc1ccc(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000667620418 1039150496 /nfs/dbraw/zinc/15/04/96/1039150496.db2.gz CCQPRFMMMNRZRD-UHFFFAOYSA-N 2 1 348.450 3.656 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000552276826 1039150632 /nfs/dbraw/zinc/15/06/32/1039150632.db2.gz KUTYUUTZGHPJAN-QGZVFWFLSA-N 2 1 340.389 3.888 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000432789382 1039185509 /nfs/dbraw/zinc/18/55/09/1039185509.db2.gz RPNFUQUXMZSSFJ-GOSISDBHSA-N 2 1 334.504 3.790 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000432789382 1039185518 /nfs/dbraw/zinc/18/55/18/1039185518.db2.gz RPNFUQUXMZSSFJ-GOSISDBHSA-N 2 1 334.504 3.790 20 0 EHADMP CCc1nocc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519504 1039188341 /nfs/dbraw/zinc/18/83/41/1039188341.db2.gz PKYSTHAOLUOEEO-HBFSDRIKSA-N 2 1 339.483 3.627 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CS1 ZINC000898520394 1039192937 /nfs/dbraw/zinc/19/29/37/1039192937.db2.gz XNOWNWQUXDNOOK-XIKSMUEASA-N 2 1 330.541 3.771 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CC1(F)F ZINC000898520006 1039193430 /nfs/dbraw/zinc/19/34/30/1039193430.db2.gz SFKTUTBTRDTZAY-IKLKHMQRSA-N 2 1 334.454 3.920 20 0 EHADMP C[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796162 1039218443 /nfs/dbraw/zinc/21/84/43/1039218443.db2.gz FOTWTPVPVFDOQU-YOEHRIQHSA-N 2 1 339.321 3.969 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000432796162 1039218459 /nfs/dbraw/zinc/21/84/59/1039218459.db2.gz FOTWTPVPVFDOQU-YOEHRIQHSA-N 2 1 339.321 3.969 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349709 1039250731 /nfs/dbraw/zinc/25/07/31/1039250731.db2.gz XQXSPWHVEKYKQE-PXNSSMCTSA-N 2 1 344.524 3.937 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349709 1039250748 /nfs/dbraw/zinc/25/07/48/1039250748.db2.gz XQXSPWHVEKYKQE-PXNSSMCTSA-N 2 1 344.524 3.937 20 0 EHADMP CC(C)[C@]1(CO)CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000552407714 1039259763 /nfs/dbraw/zinc/25/97/63/1039259763.db2.gz AAWYWSBCNBKNGQ-JOCHJYFZSA-N 2 1 346.559 3.875 20 0 EHADMP CC(C)[C@]1(CO)CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000552407714 1039259776 /nfs/dbraw/zinc/25/97/76/1039259776.db2.gz AAWYWSBCNBKNGQ-JOCHJYFZSA-N 2 1 346.559 3.875 20 0 EHADMP CC(C)[C@]1(CO)CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000552407714 1039259784 /nfs/dbraw/zinc/25/97/84/1039259784.db2.gz AAWYWSBCNBKNGQ-JOCHJYFZSA-N 2 1 346.559 3.875 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCc2c1cc(Br)cc2F ZINC000480181621 1039273983 /nfs/dbraw/zinc/27/39/83/1039273983.db2.gz OQMFGQHOFSNSEC-MRXNPFEDSA-N 2 1 343.284 3.895 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000480181621 1039274000 /nfs/dbraw/zinc/27/40/00/1039274000.db2.gz OQMFGQHOFSNSEC-MRXNPFEDSA-N 2 1 343.284 3.895 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000480181621 1039274007 /nfs/dbraw/zinc/27/40/07/1039274007.db2.gz OQMFGQHOFSNSEC-MRXNPFEDSA-N 2 1 343.284 3.895 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000480224500 1039322248 /nfs/dbraw/zinc/32/22/48/1039322248.db2.gz IWXSXNNKGBSRND-MRXNPFEDSA-N 2 1 342.458 3.933 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000480224500 1039322267 /nfs/dbraw/zinc/32/22/67/1039322267.db2.gz IWXSXNNKGBSRND-MRXNPFEDSA-N 2 1 342.458 3.933 20 0 EHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186359763 1039348537 /nfs/dbraw/zinc/34/85/37/1039348537.db2.gz ZRCITQXYBMISFX-INIZCTEOSA-N 2 1 332.488 3.686 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186359763 1039348553 /nfs/dbraw/zinc/34/85/53/1039348553.db2.gz ZRCITQXYBMISFX-INIZCTEOSA-N 2 1 332.488 3.686 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000237503250 1039376926 /nfs/dbraw/zinc/37/69/26/1039376926.db2.gz DVTCNEQXXCDTPS-KRWDZBQOSA-N 2 1 331.504 3.766 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCCCC[NH3+] ZINC000237519535 1039380974 /nfs/dbraw/zinc/38/09/74/1039380974.db2.gz PAMDBZCKITYLTH-SFHVURJKSA-N 2 1 345.531 3.586 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4cc[nH]c43)c2)CCO1 ZINC000237581194 1039391615 /nfs/dbraw/zinc/39/16/15/1039391615.db2.gz NTMNEGONHZJREU-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4cc[nH]c43)c2)CCO1 ZINC000237581194 1039391628 /nfs/dbraw/zinc/39/16/28/1039391628.db2.gz NTMNEGONHZJREU-QGZVFWFLSA-N 2 1 349.478 3.678 20 0 EHADMP C[C@@H]1C[C@@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000511606354 1039448430 /nfs/dbraw/zinc/44/84/30/1039448430.db2.gz ZXEKFCZJIOYUFU-NVXWUHKLSA-N 2 1 335.455 3.622 20 0 EHADMP C[C@@H]1C[C@@H](CCNc2[nH+]cnc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000511606354 1039448439 /nfs/dbraw/zinc/44/84/39/1039448439.db2.gz ZXEKFCZJIOYUFU-NVXWUHKLSA-N 2 1 335.455 3.622 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCc2ccccc2)cc1 ZINC000401709740 1039453740 /nfs/dbraw/zinc/45/37/40/1039453740.db2.gz UYHVIGMOOUNKBB-KRWDZBQOSA-N 2 1 335.451 3.892 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000480611570 1039752247 /nfs/dbraw/zinc/75/22/47/1039752247.db2.gz PUQBBUWTSVTBDF-KSZLIROESA-N 2 1 346.515 3.867 20 0 EHADMP CCc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000667707389 1039755331 /nfs/dbraw/zinc/75/53/31/1039755331.db2.gz YPKCWMBJGXPDGI-YSIASYRMSA-N 2 1 342.483 3.679 20 0 EHADMP CCc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000667707389 1039755346 /nfs/dbraw/zinc/75/53/46/1039755346.db2.gz YPKCWMBJGXPDGI-YSIASYRMSA-N 2 1 342.483 3.679 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000480619340 1039780758 /nfs/dbraw/zinc/78/07/58/1039780758.db2.gz UCDADJPZXGDPBF-QMMLZNLJSA-N 2 1 330.516 3.966 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000489335761 1039842271 /nfs/dbraw/zinc/84/22/71/1039842271.db2.gz ZKXCPOLQWLUSHO-DENIHFKCSA-N 2 1 344.543 3.567 20 0 EHADMP C[C@@H](NCc1cc(C2CC2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660219244 1039889387 /nfs/dbraw/zinc/88/93/87/1039889387.db2.gz DUEMEZKHTVPDDK-QAPCUYQASA-N 2 1 325.456 3.552 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807402 1039918900 /nfs/dbraw/zinc/91/89/00/1039918900.db2.gz XRKDLKURRCEZDB-JXFKEZNVSA-N 2 1 344.886 3.628 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807402 1039918915 /nfs/dbraw/zinc/91/89/15/1039918915.db2.gz XRKDLKURRCEZDB-JXFKEZNVSA-N 2 1 344.886 3.628 20 0 EHADMP Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000553426254 1040066675 /nfs/dbraw/zinc/06/66/75/1040066675.db2.gz AMLNUFOEXKMRPI-LJQANCHMSA-N 2 1 338.495 3.986 20 0 EHADMP Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000553426253 1040067182 /nfs/dbraw/zinc/06/71/82/1040067182.db2.gz AMLNUFOEXKMRPI-IBGZPJMESA-N 2 1 338.495 3.986 20 0 EHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000489551310 1040067214 /nfs/dbraw/zinc/06/72/14/1040067214.db2.gz OHLUKPUQDORDTP-DYXWJJEUSA-N 2 1 340.511 3.996 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095031 1040077204 /nfs/dbraw/zinc/07/72/04/1040077204.db2.gz OGFKPPVTARUQLR-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095031 1040077213 /nfs/dbraw/zinc/07/72/13/1040077213.db2.gz OGFKPPVTARUQLR-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095031 1040077221 /nfs/dbraw/zinc/07/72/21/1040077221.db2.gz OGFKPPVTARUQLR-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccnc(Cl)c4s3)CC[C@@H]21 ZINC000894095031 1040077234 /nfs/dbraw/zinc/07/72/34/1040077234.db2.gz OGFKPPVTARUQLR-HIFRSBDPSA-N 2 1 335.904 3.866 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(C(C)(C)C)cc1 ZINC000555092579 1040134756 /nfs/dbraw/zinc/13/47/56/1040134756.db2.gz JPJNPNCSSWEMPC-NJDAHSKKSA-N 2 1 344.543 3.710 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCCC1 ZINC000480904728 1040137419 /nfs/dbraw/zinc/13/74/19/1040137419.db2.gz CBOIFTOGBOEXFH-OALUTQOASA-N 2 1 340.515 3.704 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)C1 ZINC000667785201 1040188603 /nfs/dbraw/zinc/18/86/03/1040188603.db2.gz JKJPXRTUOGKGCZ-MAODMQOUSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])N2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512584756 1040204198 /nfs/dbraw/zinc/20/41/98/1040204198.db2.gz YOUPJLKPTAWQOI-UYAOXDASSA-N 2 1 342.531 3.543 20 0 EHADMP Cc1ccc(Nc2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)cc1 ZINC000480963107 1040210690 /nfs/dbraw/zinc/21/06/90/1040210690.db2.gz NJOUVMYHAIWPNB-UHFFFAOYSA-N 2 1 344.528 3.969 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465775 1040265896 /nfs/dbraw/zinc/26/58/96/1040265896.db2.gz PUAGHQDSKBMMAO-MJGOQNOKSA-N 2 1 336.479 3.890 20 0 EHADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000479479453 1040276986 /nfs/dbraw/zinc/27/69/86/1040276986.db2.gz KWWIUWXQXFFBJC-WLRLJWMZSA-N 2 1 329.532 3.502 20 0 EHADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512627101 1040326687 /nfs/dbraw/zinc/32/66/87/1040326687.db2.gz ZYVMMTRDFADDPE-ZGJYDULXSA-N 2 1 342.527 3.692 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCS4)[C@@H]3C2)cc1 ZINC000512632394 1040338602 /nfs/dbraw/zinc/33/86/02/1040338602.db2.gz ZZDKXCGERIURMG-NMLBUPMWSA-N 2 1 330.541 3.772 20 0 EHADMP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661735 1040448702 /nfs/dbraw/zinc/44/87/02/1040448702.db2.gz TYCYPLALVGYTEI-RJGXRXQPSA-N 2 1 349.522 3.823 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC001212142845 1040496730 /nfs/dbraw/zinc/49/67/30/1040496730.db2.gz UQPXAHUUNXBRDH-AWEZNQCLSA-N 2 1 340.830 3.697 20 0 EHADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713012 1040588318 /nfs/dbraw/zinc/58/83/18/1040588318.db2.gz FWASVUHERPJICQ-BHIYHBOVSA-N 2 1 330.541 3.630 20 0 EHADMP CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411286479 1040674484 /nfs/dbraw/zinc/67/44/84/1040674484.db2.gz XJPZXSWPIHLXNZ-OAQYLSRUSA-N 2 1 330.516 3.921 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000411395453 1040800783 /nfs/dbraw/zinc/80/07/83/1040800783.db2.gz IDHXBWFEKRBXJZ-FCHUYYIVSA-N 2 1 342.527 3.921 20 0 EHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCOC4CCC4)C3)CC2)cc1 ZINC000433130113 1040851909 /nfs/dbraw/zinc/85/19/09/1040851909.db2.gz QREBADHIWZNCGC-UHFFFAOYSA-N 2 1 328.500 3.544 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025990 1040871803 /nfs/dbraw/zinc/87/18/03/1040871803.db2.gz XEYGHLDYINRVQC-UYAOXDASSA-N 2 1 341.474 3.826 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000491025990 1040871824 /nfs/dbraw/zinc/87/18/24/1040871824.db2.gz XEYGHLDYINRVQC-UYAOXDASSA-N 2 1 341.474 3.826 20 0 EHADMP Cc1noc(C)c1[C@@H](C)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924874106 1040882070 /nfs/dbraw/zinc/88/20/70/1040882070.db2.gz OFYPHHIGHKOTPP-CZUORRHYSA-N 2 1 333.501 3.916 20 0 EHADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000924874106 1040882086 /nfs/dbraw/zinc/88/20/86/1040882086.db2.gz OFYPHHIGHKOTPP-CZUORRHYSA-N 2 1 333.501 3.916 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060493 1041230771 /nfs/dbraw/zinc/23/07/71/1041230771.db2.gz FTGFAIJRANQTKO-ROUUACIJSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060493 1041230794 /nfs/dbraw/zinc/23/07/94/1041230794.db2.gz FTGFAIJRANQTKO-ROUUACIJSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060493 1041230815 /nfs/dbraw/zinc/23/08/15/1041230815.db2.gz FTGFAIJRANQTKO-ROUUACIJSA-N 2 1 338.536 3.695 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000111241259 1041536747 /nfs/dbraw/zinc/53/67/47/1041536747.db2.gz VGUQXLJAEFPRIE-UHFFFAOYSA-N 2 1 340.515 3.795 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C)o3)CC2)cs1 ZINC000111397622 1041548332 /nfs/dbraw/zinc/54/83/32/1041548332.db2.gz MRDLERWPPBCEOG-UHFFFAOYSA-N 2 1 333.501 3.609 20 0 EHADMP CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576171 1041598477 /nfs/dbraw/zinc/59/84/77/1041598477.db2.gz JHYXFXFFAUCPRF-DZGCQCFKSA-N 2 1 345.443 3.532 20 0 EHADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292576171 1041598489 /nfs/dbraw/zinc/59/84/89/1041598489.db2.gz JHYXFXFFAUCPRF-DZGCQCFKSA-N 2 1 345.443 3.532 20 0 EHADMP Cc1cc(F)ncc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411543 1041901407 /nfs/dbraw/zinc/90/14/07/1041901407.db2.gz HDUFFTXRGZQEHF-AEFFLSMTSA-N 2 1 327.447 3.529 20 0 EHADMP CCc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000651687404 1041911872 /nfs/dbraw/zinc/91/18/72/1041911872.db2.gz AWIRDEWKLINPRA-SFHVURJKSA-N 2 1 338.495 3.760 20 0 EHADMP CCc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000651687404 1041911875 /nfs/dbraw/zinc/91/18/75/1041911875.db2.gz AWIRDEWKLINPRA-SFHVURJKSA-N 2 1 338.495 3.760 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000164460278 1042252899 /nfs/dbraw/zinc/25/28/99/1042252899.db2.gz GOUKFJTXIAMCJU-GOSISDBHSA-N 3 1 347.547 3.542 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000596095922 1042265626 /nfs/dbraw/zinc/26/56/26/1042265626.db2.gz REKOFOCPIGKYFG-YLJYHZDGSA-N 2 1 344.499 3.636 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000652350263 1042409262 /nfs/dbraw/zinc/40/92/62/1042409262.db2.gz OPPMUSWJGORFTI-OHHBCXFOSA-N 2 1 334.891 3.546 20 0 EHADMP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3Cc3cccc4c3CC[NH2+]C4)O2)cc1 ZINC000662283297 1042657616 /nfs/dbraw/zinc/65/76/16/1042657616.db2.gz HDNFOEBWHZJQMZ-VABKMULXSA-N 2 1 348.490 3.827 20 0 EHADMP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662293069 1042663522 /nfs/dbraw/zinc/66/35/22/1042663522.db2.gz JMDBYSUPIVESEN-QGZVFWFLSA-N 2 1 343.446 3.692 20 0 EHADMP c1ccc(-c2nc3c(s2)C[N@@H+](CCCC2CC[NH2+]CC2)CC3)cc1 ZINC000662304095 1042671403 /nfs/dbraw/zinc/67/14/03/1042671403.db2.gz FJLAKXDOCDSIIS-UHFFFAOYSA-N 2 1 341.524 3.948 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000662307607 1042674654 /nfs/dbraw/zinc/67/46/54/1042674654.db2.gz XPGLZOQCBPTVTB-KRWDZBQOSA-N 2 1 349.478 3.586 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC000662307607 1042674658 /nfs/dbraw/zinc/67/46/58/1042674658.db2.gz XPGLZOQCBPTVTB-KRWDZBQOSA-N 2 1 349.478 3.586 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)[C@@H]1CCC[NH3+] ZINC000662314545 1042680634 /nfs/dbraw/zinc/68/06/34/1042680634.db2.gz NGULZXQVWLVYRI-DGCLKSJQSA-N 2 1 331.323 3.850 20 0 EHADMP CC(C)(C)CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327525 1042690476 /nfs/dbraw/zinc/69/04/76/1042690476.db2.gz QSOAPYAFYIRHFQ-UHFFFAOYSA-N 2 1 332.536 3.882 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Br ZINC000221908473 1042701619 /nfs/dbraw/zinc/70/16/19/1042701619.db2.gz BQJFTJHLFQSFPK-ZDUSSCGKSA-N 2 1 343.309 3.839 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Br ZINC000221908473 1042701624 /nfs/dbraw/zinc/70/16/24/1042701624.db2.gz BQJFTJHLFQSFPK-ZDUSSCGKSA-N 2 1 343.309 3.839 20 0 EHADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)s2)c1 ZINC000663344811 1042729531 /nfs/dbraw/zinc/72/95/31/1042729531.db2.gz XZIMZXAUURLCBB-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)s2)c1 ZINC000663344811 1042729536 /nfs/dbraw/zinc/72/95/36/1042729536.db2.gz XZIMZXAUURLCBB-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466051 1042888365 /nfs/dbraw/zinc/88/83/65/1042888365.db2.gz NOHGUXRWWLMBLF-MAUKXSAKSA-N 2 1 332.463 3.533 20 0 EHADMP c1c[nH]c([C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466647 1042889437 /nfs/dbraw/zinc/88/94/37/1042889437.db2.gz WUYITQCKYSQNTB-IEBWSBKVSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466647 1042889443 /nfs/dbraw/zinc/88/94/43/1042889443.db2.gz WUYITQCKYSQNTB-IEBWSBKVSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466647 1042889445 /nfs/dbraw/zinc/88/94/45/1042889445.db2.gz WUYITQCKYSQNTB-IEBWSBKVSA-N 2 1 330.520 3.743 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467199 1042891063 /nfs/dbraw/zinc/89/10/63/1042891063.db2.gz DIQMLKIBIDCZAQ-RDJZCZTQSA-N 2 1 333.495 3.664 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1N(C)C ZINC000663467199 1042891070 /nfs/dbraw/zinc/89/10/70/1042891070.db2.gz DIQMLKIBIDCZAQ-RDJZCZTQSA-N 2 1 333.495 3.664 20 0 EHADMP COC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467069 1042891612 /nfs/dbraw/zinc/89/16/12/1042891612.db2.gz ZJTSRULNFZWDEV-VQIMIIECSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467069 1042891616 /nfs/dbraw/zinc/89/16/16/1042891616.db2.gz ZJTSRULNFZWDEV-VQIMIIECSA-N 2 1 336.907 3.739 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000663467069 1042891622 /nfs/dbraw/zinc/89/16/22/1042891622.db2.gz ZJTSRULNFZWDEV-VQIMIIECSA-N 2 1 336.907 3.739 20 0 EHADMP c1c[nH]c([C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466649 1042892345 /nfs/dbraw/zinc/89/23/45/1042892345.db2.gz WUYITQCKYSQNTB-PKOBYXMFSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466649 1042892349 /nfs/dbraw/zinc/89/23/49/1042892349.db2.gz WUYITQCKYSQNTB-PKOBYXMFSA-N 2 1 330.520 3.743 20 0 EHADMP c1c[nH]c([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n1 ZINC000663466649 1042892353 /nfs/dbraw/zinc/89/23/53/1042892353.db2.gz WUYITQCKYSQNTB-PKOBYXMFSA-N 2 1 330.520 3.743 20 0 EHADMP c1ccc([C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c2ccccn2)cc1 ZINC000663471758 1042900827 /nfs/dbraw/zinc/90/08/27/1042900827.db2.gz XVCMPGQUPJUXDC-UGKGYDQZSA-N 2 1 335.495 3.883 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000166132599 1042925414 /nfs/dbraw/zinc/92/54/14/1042925414.db2.gz QPRLARFOGWMHQJ-ZENOOKHLSA-N 2 1 340.895 3.566 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000166132599 1042925417 /nfs/dbraw/zinc/92/54/17/1042925417.db2.gz QPRLARFOGWMHQJ-ZENOOKHLSA-N 2 1 340.895 3.566 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000166132360 1042925825 /nfs/dbraw/zinc/92/58/25/1042925825.db2.gz QPRLARFOGWMHQJ-XEZPLFJOSA-N 2 1 340.895 3.566 20 0 EHADMP CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000166132360 1042925828 /nfs/dbraw/zinc/92/58/28/1042925828.db2.gz QPRLARFOGWMHQJ-XEZPLFJOSA-N 2 1 340.895 3.566 20 0 EHADMP Cc1cccc2nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cn21 ZINC000051793685 1042932660 /nfs/dbraw/zinc/93/26/60/1042932660.db2.gz XCHNUUAIZWVDSR-UHFFFAOYSA-N 2 1 340.515 3.731 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001167826916 1042962880 /nfs/dbraw/zinc/96/28/80/1042962880.db2.gz RVFUICYZOGVAFK-KSEOMHKRSA-N 2 1 343.559 3.561 20 0 EHADMP Cc1nc(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000278933114 1042986110 /nfs/dbraw/zinc/98/61/10/1042986110.db2.gz SUWYSTFEZHCVTG-UHFFFAOYSA-N 2 1 330.501 3.672 20 0 EHADMP C[C@H]1C[N@@H+](CCCNCc2ccc(Oc3ccccc3)o2)CCCO1 ZINC000432363271 1043001517 /nfs/dbraw/zinc/00/15/17/1043001517.db2.gz UNVAZCGFAYABNM-KRWDZBQOSA-N 2 1 344.455 3.662 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001167833618 1043006341 /nfs/dbraw/zinc/00/63/41/1043006341.db2.gz CNJJAUKJURFUGT-KSEOMHKRSA-N 2 1 343.559 3.703 20 0 EHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432368278 1043010263 /nfs/dbraw/zinc/01/02/63/1043010263.db2.gz PHPGGPSAKCNPAW-VZVUQDNOSA-N 2 1 336.907 3.834 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001167838042 1043047375 /nfs/dbraw/zinc/04/73/75/1043047375.db2.gz PAJJLQKTUCLNLI-KRWDZBQOSA-N 2 1 343.556 3.732 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432410815 1043112182 /nfs/dbraw/zinc/11/21/82/1043112182.db2.gz RYEDLSLCPIQQFN-TZIWHRDSSA-N 2 1 332.532 3.653 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432410815 1043112189 /nfs/dbraw/zinc/11/21/89/1043112189.db2.gz RYEDLSLCPIQQFN-TZIWHRDSSA-N 2 1 332.532 3.653 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CCN(C)C(=O)OC(C)(C)C ZINC001167841604 1043124938 /nfs/dbraw/zinc/12/49/38/1043124938.db2.gz MZCJOQLAZLUJTP-KRWDZBQOSA-N 2 1 343.556 3.686 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416649 1043128460 /nfs/dbraw/zinc/12/84/60/1043128460.db2.gz IBXODTMTAVCQBS-HOTGVXAUSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416649 1043128464 /nfs/dbraw/zinc/12/84/64/1043128464.db2.gz IBXODTMTAVCQBS-HOTGVXAUSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416650 1043128799 /nfs/dbraw/zinc/12/87/99/1043128799.db2.gz IBXODTMTAVCQBS-HZPDHXFCSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416650 1043128804 /nfs/dbraw/zinc/12/88/04/1043128804.db2.gz IBXODTMTAVCQBS-HZPDHXFCSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(C)(C)C)cc1 ZINC000279015512 1043193189 /nfs/dbraw/zinc/19/31/89/1043193189.db2.gz UDVOMPAWYRFZBP-JKSUJKDBSA-N 2 1 327.472 3.974 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446629 1043274181 /nfs/dbraw/zinc/27/41/81/1043274181.db2.gz NBBPIGWCUOTJLD-ROUUACIJSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446629 1043274186 /nfs/dbraw/zinc/27/41/86/1043274186.db2.gz NBBPIGWCUOTJLD-ROUUACIJSA-N 2 1 326.484 3.991 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344247360 1043512116 /nfs/dbraw/zinc/51/21/16/1043512116.db2.gz PEDCOKAUAWALMY-SEVLPDGMSA-N 2 1 343.515 3.544 20 0 EHADMP CCc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279270385 1043551043 /nfs/dbraw/zinc/55/10/43/1043551043.db2.gz CHOHEKPIWBBOQN-UHFFFAOYSA-N 2 1 329.513 3.737 20 0 EHADMP c1[nH+]c(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)n2c1CCCC2 ZINC000279488637 1044139513 /nfs/dbraw/zinc/13/95/13/1044139513.db2.gz USXHDXCSDLQEBD-UHFFFAOYSA-N 2 1 337.467 3.534 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203865 1044144396 /nfs/dbraw/zinc/14/43/96/1044144396.db2.gz RDJXNLCGDRPRBN-HKUYNNGSSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203865 1044144403 /nfs/dbraw/zinc/14/44/03/1044144403.db2.gz RDJXNLCGDRPRBN-HKUYNNGSSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203865 1044144409 /nfs/dbraw/zinc/14/44/09/1044144409.db2.gz RDJXNLCGDRPRBN-HKUYNNGSSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000512203865 1044144413 /nfs/dbraw/zinc/14/44/13/1044144413.db2.gz RDJXNLCGDRPRBN-HKUYNNGSSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212176 1044163472 /nfs/dbraw/zinc/16/34/72/1044163472.db2.gz KFAJURQCGGRVKO-RBUKOAKNSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N(C)C)C1 ZINC000512212176 1044163476 /nfs/dbraw/zinc/16/34/76/1044163476.db2.gz KFAJURQCGGRVKO-RBUKOAKNSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000512212176 1044163480 /nfs/dbraw/zinc/16/34/80/1044163480.db2.gz KFAJURQCGGRVKO-RBUKOAKNSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000512212176 1044163483 /nfs/dbraw/zinc/16/34/83/1044163483.db2.gz KFAJURQCGGRVKO-RBUKOAKNSA-N 2 1 329.532 3.839 20 0 EHADMP Fc1cc(Br)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197474 1044170048 /nfs/dbraw/zinc/17/00/48/1044170048.db2.gz BGHXIFQJLTYXHG-MRXNPFEDSA-N 2 1 341.268 3.552 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(CCOc4ccccc4)C3)C2)cc1 ZINC000512275858 1044516483 /nfs/dbraw/zinc/51/64/83/1044516483.db2.gz GQABWPUIZJTNOI-QFIPXVFZSA-N 2 1 336.479 3.663 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275858 1044516499 /nfs/dbraw/zinc/51/64/99/1044516499.db2.gz GQABWPUIZJTNOI-QFIPXVFZSA-N 2 1 336.479 3.663 20 0 EHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275858 1044516519 /nfs/dbraw/zinc/51/65/19/1044516519.db2.gz GQABWPUIZJTNOI-QFIPXVFZSA-N 2 1 336.479 3.663 20 0 EHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275858 1044516535 /nfs/dbraw/zinc/51/65/35/1044516535.db2.gz GQABWPUIZJTNOI-QFIPXVFZSA-N 2 1 336.479 3.663 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000122965870 1044616057 /nfs/dbraw/zinc/61/60/57/1044616057.db2.gz JNEVCXPQHCLGSL-UHFFFAOYSA-N 2 1 342.430 3.651 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000414179558 1125598807 /nfs/dbraw/zinc/59/88/07/1125598807.db2.gz KVXKKSVXFCUGAF-QKNQBKEWSA-N 2 1 336.479 3.588 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000414179558 1125598814 /nfs/dbraw/zinc/59/88/14/1125598814.db2.gz KVXKKSVXFCUGAF-QKNQBKEWSA-N 2 1 336.479 3.588 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000154298178 1125708789 /nfs/dbraw/zinc/70/87/89/1125708789.db2.gz RBISRTAIGSPVRT-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000154298178 1125708794 /nfs/dbraw/zinc/70/87/94/1125708794.db2.gz RBISRTAIGSPVRT-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298178 1125708798 /nfs/dbraw/zinc/70/87/98/1125708798.db2.gz RBISRTAIGSPVRT-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000154298178 1125708801 /nfs/dbraw/zinc/70/88/01/1125708801.db2.gz RBISRTAIGSPVRT-DZGCQCFKSA-N 2 1 330.394 3.542 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000163229876 1125708821 /nfs/dbraw/zinc/70/88/21/1125708821.db2.gz RAANLKOENWHDJA-MEDUHNTESA-N 2 1 341.268 3.507 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773318 1126860022 /nfs/dbraw/zinc/86/00/22/1126860022.db2.gz UFMVMDVFBBBLAV-YPMHNXCESA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773318 1126860026 /nfs/dbraw/zinc/86/00/26/1126860026.db2.gz UFMVMDVFBBBLAV-YPMHNXCESA-N 2 1 331.323 3.673 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773318 1126860030 /nfs/dbraw/zinc/86/00/30/1126860030.db2.gz UFMVMDVFBBBLAV-YPMHNXCESA-N 2 1 331.323 3.673 20 0 EHADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000343777131 1126888452 /nfs/dbraw/zinc/88/84/52/1126888452.db2.gz XPRKLBHFRGORQU-OXQOHEQNSA-N 2 1 329.488 3.532 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623358001 1126929307 /nfs/dbraw/zinc/92/93/07/1126929307.db2.gz LJJPPIVGHUDZJP-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623358001 1126929308 /nfs/dbraw/zinc/92/93/08/1126929308.db2.gz LJJPPIVGHUDZJP-AWEZNQCLSA-N 2 1 330.394 3.590 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)CC1(C)C ZINC000623376737 1126936686 /nfs/dbraw/zinc/93/66/86/1126936686.db2.gz AGARHIHONSDOOQ-LLVKDONJSA-N 2 1 331.323 3.516 20 0 EHADMP CC[C@@H](C)C(=O)Nc1cccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623369828 1126932126 /nfs/dbraw/zinc/93/21/26/1126932126.db2.gz SNEFUDKWWPRMLC-QAPCUYQASA-N 2 1 331.504 3.634 20 0 EHADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623369828 1126932130 /nfs/dbraw/zinc/93/21/30/1126932130.db2.gz SNEFUDKWWPRMLC-QAPCUYQASA-N 2 1 331.504 3.634 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398703 1126944256 /nfs/dbraw/zinc/94/42/56/1126944256.db2.gz MUABHXXHDHIGSJ-WOJBJXKFSA-N 2 1 329.532 3.676 20 0 EHADMP CN1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC1(C)C ZINC000623399390 1126945000 /nfs/dbraw/zinc/94/50/00/1126945000.db2.gz JXNXXUWJIHBZGS-OAHLLOKOSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC1(C)C ZINC000623399390 1126945002 /nfs/dbraw/zinc/94/50/02/1126945002.db2.gz JXNXXUWJIHBZGS-OAHLLOKOSA-N 2 1 337.305 3.901 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CC1(C)C ZINC000623399390 1126945004 /nfs/dbraw/zinc/94/50/04/1126945004.db2.gz JXNXXUWJIHBZGS-OAHLLOKOSA-N 2 1 337.305 3.901 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000623445444 1126957386 /nfs/dbraw/zinc/95/73/86/1126957386.db2.gz RKYCKXRSSGUJEC-MOPGFXCFSA-N 2 1 346.515 3.515 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000623445444 1126957388 /nfs/dbraw/zinc/95/73/88/1126957388.db2.gz RKYCKXRSSGUJEC-MOPGFXCFSA-N 2 1 346.515 3.515 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623436185 1126955302 /nfs/dbraw/zinc/95/53/02/1126955302.db2.gz IFSGNCIBVFVCDS-AABGKKOBSA-N 2 1 330.516 3.925 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)CC1(C)C ZINC000623495184 1126967652 /nfs/dbraw/zinc/96/76/52/1126967652.db2.gz UHUSYZWRUPFRCZ-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657699 1127006984 /nfs/dbraw/zinc/00/69/84/1127006984.db2.gz WUUQIUNNVOXKCQ-QGZVFWFLSA-N 2 1 339.483 3.579 20 0 EHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657699 1127006986 /nfs/dbraw/zinc/00/69/86/1127006986.db2.gz WUUQIUNNVOXKCQ-QGZVFWFLSA-N 2 1 339.483 3.579 20 0 EHADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799362 1127180355 /nfs/dbraw/zinc/18/03/55/1127180355.db2.gz WGQIJFYJLHAMTH-ULQDDVLXSA-N 2 1 343.298 3.633 20 0 EHADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799362 1127180358 /nfs/dbraw/zinc/18/03/58/1127180358.db2.gz WGQIJFYJLHAMTH-ULQDDVLXSA-N 2 1 343.298 3.633 20 0 EHADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)C[C@@H](C)O1 ZINC000623941519 1127219525 /nfs/dbraw/zinc/21/95/25/1127219525.db2.gz VCVCRQMACXOZJR-MBOZVWFJSA-N 2 1 345.531 3.581 20 0 EHADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000181263846 1127272240 /nfs/dbraw/zinc/27/22/40/1127272240.db2.gz ZOMUXOFRVRDJMG-QLFBSQMISA-N 2 1 344.421 3.935 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(Br)c1 ZINC000181728377 1127292379 /nfs/dbraw/zinc/29/23/79/1127292379.db2.gz TZKTWMQJSVUSKM-MLGOLLRUSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673727 1127429736 /nfs/dbraw/zinc/42/97/36/1127429736.db2.gz UYKGCXPGBRRMTR-DLBZAZTESA-N 2 1 338.536 3.741 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCCC2 ZINC000386003061 1127618338 /nfs/dbraw/zinc/61/83/38/1127618338.db2.gz UCWMNOPVSVDXRF-QHAWAJNXSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000386032380 1127620922 /nfs/dbraw/zinc/62/09/22/1127620922.db2.gz YMRZZSIMSWWVAB-RTWAWAEBSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000386032380 1127620923 /nfs/dbraw/zinc/62/09/23/1127620923.db2.gz YMRZZSIMSWWVAB-RTWAWAEBSA-N 2 1 336.479 3.519 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000386032380 1127620925 /nfs/dbraw/zinc/62/09/25/1127620925.db2.gz YMRZZSIMSWWVAB-RTWAWAEBSA-N 2 1 336.479 3.519 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921536755 1127683077 /nfs/dbraw/zinc/68/30/77/1127683077.db2.gz RGYPOUSLWKGZID-KRWDZBQOSA-N 2 1 332.536 3.822 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000671739336 1128175336 /nfs/dbraw/zinc/17/53/36/1128175336.db2.gz XQLDIBKJVKMPDM-YESZJQIVSA-N 2 1 326.406 3.710 20 0 EHADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](CCC[NH3+])C3CCCCC3)CCO2)cc1 ZINC001168591223 1128179217 /nfs/dbraw/zinc/17/92/17/1128179217.db2.gz UMCFXFOOPVJUGV-FPOVZHCZSA-N 2 1 346.515 3.899 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001168602836 1128283691 /nfs/dbraw/zinc/28/36/91/1128283691.db2.gz VMTQAGKEZFWDSE-YRIDSSQKSA-N 2 1 344.499 3.520 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168602836 1128283692 /nfs/dbraw/zinc/28/36/92/1128283692.db2.gz VMTQAGKEZFWDSE-YRIDSSQKSA-N 2 1 344.499 3.520 20 0 EHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754252 1128291488 /nfs/dbraw/zinc/29/14/88/1128291488.db2.gz GIZOZMZEHUEFHQ-UHFFFAOYSA-N 2 1 343.862 3.519 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000114475684 1128412104 /nfs/dbraw/zinc/41/21/04/1128412104.db2.gz HSASINOEWZMQDE-HNNXBMFYSA-N 2 1 336.476 3.571 20 0 EHADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000401030879 1128553739 /nfs/dbraw/zinc/55/37/39/1128553739.db2.gz MHRRGQTXULZOBC-UGKGYDQZSA-N 2 1 337.511 3.741 20 0 EHADMP CCCCCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000108428323 1128634889 /nfs/dbraw/zinc/63/48/89/1128634889.db2.gz ZTJKAAOHBHKHOO-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168684831 1128822213 /nfs/dbraw/zinc/82/22/13/1128822213.db2.gz MASFBAWQGVCWNQ-MJGOQNOKSA-N 2 1 340.898 3.919 20 0 EHADMP Cc1nc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000122737627 1120182574 /nfs/dbraw/zinc/18/25/74/1120182574.db2.gz BPEYBBCVMJAQSS-UHFFFAOYSA-N 2 1 329.513 3.557 20 0 EHADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000355229944 1128907048 /nfs/dbraw/zinc/90/70/48/1128907048.db2.gz YPQMUVBVROQCNY-MRXNPFEDSA-N 2 1 327.497 3.632 20 0 EHADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000355229944 1128907052 /nfs/dbraw/zinc/90/70/52/1128907052.db2.gz YPQMUVBVROQCNY-MRXNPFEDSA-N 2 1 327.497 3.632 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494499582 1120573396 /nfs/dbraw/zinc/57/33/96/1120573396.db2.gz ZUKBMMDCGCNGKO-FHLIZLRMSA-N 2 1 340.870 3.773 20 0 EHADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000190460125 1120638834 /nfs/dbraw/zinc/63/88/34/1120638834.db2.gz SBBPKSFQEDWDNX-OCCSQVGLSA-N 2 1 341.293 3.593 20 0 EHADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000190460125 1120638835 /nfs/dbraw/zinc/63/88/35/1120638835.db2.gz SBBPKSFQEDWDNX-OCCSQVGLSA-N 2 1 341.293 3.593 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000190999324 1120658288 /nfs/dbraw/zinc/65/82/88/1120658288.db2.gz QPUOUZFNMJZUAC-MISYRCLQSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000190999324 1120658290 /nfs/dbraw/zinc/65/82/90/1120658290.db2.gz QPUOUZFNMJZUAC-MISYRCLQSA-N 2 1 332.532 3.817 20 0 EHADMP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000190999324 1120658291 /nfs/dbraw/zinc/65/82/91/1120658291.db2.gz QPUOUZFNMJZUAC-MISYRCLQSA-N 2 1 332.532 3.817 20 0 EHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000494591322 1120659106 /nfs/dbraw/zinc/65/91/06/1120659106.db2.gz IZPVEZVZKKGERF-INIZCTEOSA-N 2 1 335.289 3.596 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736370 1120752732 /nfs/dbraw/zinc/75/27/32/1120752732.db2.gz CMIFCOXGOIQYED-WDSOQIARSA-N 2 1 328.500 3.623 20 0 EHADMP c1cc(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000193257725 1120767662 /nfs/dbraw/zinc/76/76/62/1120767662.db2.gz YSQGHUJJTJKZAO-CTNGQTDRSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000193257725 1120767665 /nfs/dbraw/zinc/76/76/65/1120767665.db2.gz YSQGHUJJTJKZAO-CTNGQTDRSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000193257725 1120767667 /nfs/dbraw/zinc/76/76/67/1120767667.db2.gz YSQGHUJJTJKZAO-CTNGQTDRSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000193257725 1120767669 /nfs/dbraw/zinc/76/76/69/1120767669.db2.gz YSQGHUJJTJKZAO-CTNGQTDRSA-N 2 1 340.511 3.503 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCSC4)CC[C@@H]32)cc1 ZINC000494994078 1120927768 /nfs/dbraw/zinc/92/77/68/1120927768.db2.gz JONDSFUJUXXEGL-ZCNNSNEGSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCSC4)CC[C@@H]32)cc1 ZINC000494994078 1120927770 /nfs/dbraw/zinc/92/77/70/1120927770.db2.gz JONDSFUJUXXEGL-ZCNNSNEGSA-N 2 1 330.541 3.726 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCSC4)CC[C@@H]32)cc1 ZINC000494994078 1120927773 /nfs/dbraw/zinc/92/77/73/1120927773.db2.gz JONDSFUJUXXEGL-ZCNNSNEGSA-N 2 1 330.541 3.726 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000495061223 1120940249 /nfs/dbraw/zinc/94/02/49/1120940249.db2.gz SHWBHSOUIFUIGD-SJLPKXTDSA-N 2 1 345.531 3.543 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001168480220 1120985181 /nfs/dbraw/zinc/98/51/81/1120985181.db2.gz MLWJBHJCMRLJLA-NXHRZFHOSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001168480220 1120985186 /nfs/dbraw/zinc/98/51/86/1120985186.db2.gz MLWJBHJCMRLJLA-NXHRZFHOSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001168480220 1120985191 /nfs/dbraw/zinc/98/51/91/1120985191.db2.gz MLWJBHJCMRLJLA-NXHRZFHOSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001168480220 1120985194 /nfs/dbraw/zinc/98/51/94/1120985194.db2.gz MLWJBHJCMRLJLA-NXHRZFHOSA-N 2 1 344.499 3.882 20 0 EHADMP C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000282111067 1121348515 /nfs/dbraw/zinc/34/85/15/1121348515.db2.gz AFICCHYAHIJWMK-ULQDDVLXSA-N 2 1 337.511 3.878 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496121461 1121696603 /nfs/dbraw/zinc/69/66/03/1121696603.db2.gz IUMNCTDONSMMFW-UHFFFAOYSA-N 2 1 333.476 3.526 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COCc2ccccc21 ZINC000398105961 1121970084 /nfs/dbraw/zinc/97/00/84/1121970084.db2.gz BMTAXLUNVHNCQT-ZPMCFJSWSA-N 2 1 336.479 3.758 20 0 EHADMP CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000672623376 1129028290 /nfs/dbraw/zinc/02/82/90/1129028290.db2.gz SLDVHHHKULVNSS-VSKRKVRLSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623376 1129028294 /nfs/dbraw/zinc/02/82/94/1129028294.db2.gz SLDVHHHKULVNSS-VSKRKVRLSA-N 2 1 343.559 3.704 20 0 EHADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623376 1129028296 /nfs/dbraw/zinc/02/82/96/1129028296.db2.gz SLDVHHHKULVNSS-VSKRKVRLSA-N 2 1 343.559 3.704 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1Br ZINC000037197141 1122173727 /nfs/dbraw/zinc/17/37/27/1122173727.db2.gz LZTHPJSHMUAPHG-LBPRGKRZSA-N 2 1 343.309 3.696 20 0 EHADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123482344 1122244298 /nfs/dbraw/zinc/24/42/98/1122244298.db2.gz WPAHDBMMAXREDH-AWEZNQCLSA-N 2 1 348.516 3.913 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881690 1122449765 /nfs/dbraw/zinc/44/97/65/1122449765.db2.gz MIGOFUUJJKCHMG-NVXWUHKLSA-N 2 1 336.545 3.896 20 0 EHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C(C)(C)O1 ZINC000126881690 1122449766 /nfs/dbraw/zinc/44/97/66/1122449766.db2.gz MIGOFUUJJKCHMG-NVXWUHKLSA-N 2 1 336.545 3.896 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000127145834 1122465444 /nfs/dbraw/zinc/46/54/44/1122465444.db2.gz GTRZOMLIVYTGGY-OLZOCXBDSA-N 2 1 343.284 3.971 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127428404 1122483950 /nfs/dbraw/zinc/48/39/50/1122483950.db2.gz ISBFUXSLYSTWMI-UHFFFAOYSA-N 2 1 343.284 3.942 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000262640756 1122582517 /nfs/dbraw/zinc/58/25/17/1122582517.db2.gz KIHFHKCLHIEVLL-WBVHZDCISA-N 2 1 329.488 3.504 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262649000 1122612635 /nfs/dbraw/zinc/61/26/35/1122612635.db2.gz QENBALGSPBRUTD-WMZOPIPTSA-N 2 1 343.515 3.907 20 0 EHADMP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CCn2cccn2)CCCC1)c1ccccc1 ZINC000497824474 1122678046 /nfs/dbraw/zinc/67/80/46/1122678046.db2.gz ZWGACALXWWAHGF-RBUKOAKNSA-N 2 1 340.515 3.915 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnn2C(C)C)CC1)CC1CC1 ZINC000499604105 1129072390 /nfs/dbraw/zinc/07/23/90/1129072390.db2.gz UPODCLBSBBZPCP-UHFFFAOYSA-N 2 1 332.536 3.798 20 0 EHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000918197908 1122771468 /nfs/dbraw/zinc/77/14/68/1122771468.db2.gz OYWHRDHDZQIPLF-FQEVSTJZSA-N 2 1 344.886 3.628 20 0 EHADMP C[N@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000556104171 1122815862 /nfs/dbraw/zinc/81/58/62/1122815862.db2.gz MSHXUKADVGVEMG-VQTJNVASSA-N 2 1 329.532 3.674 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000556232883 1122885771 /nfs/dbraw/zinc/88/57/71/1122885771.db2.gz LMJHSCISTKLELV-JYRKZWEQSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113356 1123046166 /nfs/dbraw/zinc/04/61/66/1123046166.db2.gz JDHJCMUNKCTLQC-NEPJUHHUSA-N 2 1 341.268 3.723 20 0 EHADMP Cc1cc(C[N@@H+](C)CCn2ccnc2)cc(C)c1OCC(F)(F)F ZINC000131227940 1123062436 /nfs/dbraw/zinc/06/24/36/1123062436.db2.gz XMFPLSSUVANSIA-UHFFFAOYSA-N 2 1 341.377 3.573 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000556873105 1123163447 /nfs/dbraw/zinc/16/34/47/1123163447.db2.gz SZGHHFQLAVYQGP-LIKPIUCQSA-N 2 1 344.543 3.960 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000517226296 1123718986 /nfs/dbraw/zinc/71/89/86/1123718986.db2.gz MFRWFGTXJHVZOE-XUVXKRRUSA-N 2 1 328.500 3.903 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000517226296 1123718988 /nfs/dbraw/zinc/71/89/88/1123718988.db2.gz MFRWFGTXJHVZOE-XUVXKRRUSA-N 2 1 328.500 3.903 20 0 EHADMP Clc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000137090578 1123750050 /nfs/dbraw/zinc/75/00/50/1123750050.db2.gz IDBIFYPLFNEZGT-UHFFFAOYSA-N 2 1 331.685 3.678 20 0 EHADMP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000110433241 1123855137 /nfs/dbraw/zinc/85/51/37/1123855137.db2.gz GLLMCJBQCNNBNH-IRLDBZIGSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000110433241 1123855140 /nfs/dbraw/zinc/85/51/40/1123855140.db2.gz GLLMCJBQCNNBNH-IRLDBZIGSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000110433241 1123855143 /nfs/dbraw/zinc/85/51/43/1123855143.db2.gz GLLMCJBQCNNBNH-IRLDBZIGSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000110433241 1123855147 /nfs/dbraw/zinc/85/51/47/1123855147.db2.gz GLLMCJBQCNNBNH-IRLDBZIGSA-N 2 1 338.495 3.625 20 0 EHADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245557926 1123873256 /nfs/dbraw/zinc/87/32/56/1123873256.db2.gz KIPVSMBSHDBYLQ-VYMRPNJYSA-N 2 1 338.536 3.597 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245557926 1123873259 /nfs/dbraw/zinc/87/32/59/1123873259.db2.gz KIPVSMBSHDBYLQ-VYMRPNJYSA-N 2 1 338.536 3.597 20 0 EHADMP CC(C)C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000245661252 1123914885 /nfs/dbraw/zinc/91/48/85/1123914885.db2.gz FUDHGUXCUGENAZ-KJJMTIBFSA-N 2 1 343.559 3.748 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245693641 1123927293 /nfs/dbraw/zinc/92/72/93/1123927293.db2.gz KSTFFUORTGOHDR-VNISIPMXSA-N 2 1 328.500 3.728 20 0 EHADMP COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245768019 1123948468 /nfs/dbraw/zinc/94/84/68/1123948468.db2.gz WTYOAVXHDAAJTG-WKCHPHFGSA-N 2 1 336.479 3.980 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246283536 1124076255 /nfs/dbraw/zinc/07/62/55/1124076255.db2.gz BSCCKRNRYWJAAQ-BZPMIXESSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246283536 1124076260 /nfs/dbraw/zinc/07/62/60/1124076260.db2.gz BSCCKRNRYWJAAQ-BZPMIXESSA-N 2 1 343.284 3.592 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000246373902 1124096773 /nfs/dbraw/zinc/09/67/73/1124096773.db2.gz ASALVYHCDDFDJU-VQTJNVASSA-N 2 1 345.531 3.520 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000246824831 1124552909 /nfs/dbraw/zinc/55/29/09/1124552909.db2.gz BJJJZFPWKIZZPA-WBMJQRKESA-N 2 1 328.378 3.504 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246937951 1124570096 /nfs/dbraw/zinc/57/00/96/1124570096.db2.gz HMRDLFNNRVMRDV-FCGDIQPGSA-N 2 1 348.531 3.666 20 0 EHADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000247063866 1124585716 /nfs/dbraw/zinc/58/57/16/1124585716.db2.gz NYNJGWRQLSMYRK-ZIAGYGMSSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000247063866 1124585722 /nfs/dbraw/zinc/58/57/22/1124585722.db2.gz NYNJGWRQLSMYRK-ZIAGYGMSSA-N 2 1 340.895 3.740 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000247063866 1124585729 /nfs/dbraw/zinc/58/57/29/1124585729.db2.gz NYNJGWRQLSMYRK-ZIAGYGMSSA-N 2 1 340.895 3.740 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSc2ccccc2)[C@@H](C)C1 ZINC000248049376 1124637237 /nfs/dbraw/zinc/63/72/37/1124637237.db2.gz WATHOJFQXOGLTN-PKOBYXMFSA-N 2 1 336.545 3.505 20 0 EHADMP Cc1cncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248395655 1124656089 /nfs/dbraw/zinc/65/60/89/1124656089.db2.gz GKXIOCBTDYUAQS-BHDDXSALSA-N 2 1 335.495 3.780 20 0 EHADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248405626 1124658009 /nfs/dbraw/zinc/65/80/09/1124658009.db2.gz RNJJQIUVUBLRAQ-MJUUVYJYSA-N 2 1 344.543 3.674 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248580961 1124676876 /nfs/dbraw/zinc/67/68/76/1124676876.db2.gz OPCFXQQCHDFCCH-ZJOUEHCJSA-N 2 1 332.532 3.592 20 0 EHADMP C[C@@H](CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000248754023 1124696410 /nfs/dbraw/zinc/69/64/10/1124696410.db2.gz CMFQMOSQCAUHPE-PCCBWWKXSA-N 2 1 343.559 3.671 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249185916 1124745016 /nfs/dbraw/zinc/74/50/16/1124745016.db2.gz KTIQRQOWIZNKCA-AEFFLSMTSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249185916 1124745022 /nfs/dbraw/zinc/74/50/22/1124745022.db2.gz KTIQRQOWIZNKCA-AEFFLSMTSA-N 2 1 338.499 3.868 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H](C)c1ccccc1 ZINC000089595089 1124823758 /nfs/dbraw/zinc/82/37/58/1124823758.db2.gz XKWZKGJPQACPQU-RBUKOAKNSA-N 2 1 330.516 3.803 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000089686775 1124837244 /nfs/dbraw/zinc/83/72/44/1124837244.db2.gz DPDJBVJTDUGPRN-JRGCBEDISA-N 2 1 330.516 3.791 20 0 EHADMP C[NH+](C)C1(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CCOCC1 ZINC000091339318 1124977734 /nfs/dbraw/zinc/97/77/34/1124977734.db2.gz GGMVKEAENRSOOC-LJQANCHMSA-N 2 1 334.479 3.757 20 0 EHADMP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000252424966 1124985479 /nfs/dbraw/zinc/98/54/79/1124985479.db2.gz KMVVLKCBZQTBOT-DGCLKSJQSA-N 2 1 329.257 3.723 20 0 EHADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000252424966 1124985481 /nfs/dbraw/zinc/98/54/81/1124985481.db2.gz KMVVLKCBZQTBOT-DGCLKSJQSA-N 2 1 329.257 3.723 20 0 EHADMP COc1ccc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000093683902 1125288369 /nfs/dbraw/zinc/28/83/69/1125288369.db2.gz UGEACNWNHDQMCY-MRXNPFEDSA-N 2 1 328.456 3.749 20 0 EHADMP COc1ccc2oc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000093683902 1125288373 /nfs/dbraw/zinc/28/83/73/1125288373.db2.gz UGEACNWNHDQMCY-MRXNPFEDSA-N 2 1 328.456 3.749 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168705017 1129215011 /nfs/dbraw/zinc/21/50/11/1129215011.db2.gz PYQGYNSIHAQGIX-CRAIPNDOSA-N 2 1 328.887 3.904 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000358916684 1129427498 /nfs/dbraw/zinc/42/74/98/1129427498.db2.gz SUGSFZVGVDQQTM-QFBILLFUSA-N 2 1 346.515 3.793 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C(C)C)cc1 ZINC000765980021 1129430437 /nfs/dbraw/zinc/43/04/37/1129430437.db2.gz YSPUHZTXRHPFKK-FCHUYYIVSA-N 2 1 344.543 3.795 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000358956004 1129430627 /nfs/dbraw/zinc/43/06/27/1129430627.db2.gz RDDNNASLAXQLFR-KRWDZBQOSA-N 2 1 332.488 3.544 20 0 EHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C3CCC3)cc1)C2 ZINC000922388785 1129514731 /nfs/dbraw/zinc/51/47/31/1129514731.db2.gz FWFSEYSHSDVTRD-YSFYHYPLSA-N 2 1 342.527 3.523 20 0 EHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)CC1 ZINC000093133198 1129577948 /nfs/dbraw/zinc/57/79/48/1129577948.db2.gz ALDQWQJRMPPOOR-HSZRJFAPSA-N 2 1 349.522 3.565 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625135994 1129741543 /nfs/dbraw/zinc/74/15/43/1129741543.db2.gz OABYUMDKNKTCEC-UHFFFAOYSA-N 2 1 345.462 3.542 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625135994 1129741546 /nfs/dbraw/zinc/74/15/46/1129741546.db2.gz OABYUMDKNKTCEC-UHFFFAOYSA-N 2 1 345.462 3.542 20 0 EHADMP CSC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000347785573 1129773161 /nfs/dbraw/zinc/77/31/61/1129773161.db2.gz QSYPQVVVBQWDHL-IBGZPJMESA-N 2 1 330.541 3.870 20 0 EHADMP CSC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000347785573 1129773164 /nfs/dbraw/zinc/77/31/64/1129773164.db2.gz QSYPQVVVBQWDHL-IBGZPJMESA-N 2 1 330.541 3.870 20 0 EHADMP CC(C)c1ccc(-c2ncc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000673753815 1129830255 /nfs/dbraw/zinc/83/02/55/1129830255.db2.gz RDKPBOHLFLMQTI-IRXDYDNUSA-N 2 1 327.497 3.585 20 0 EHADMP Cc1cccc(N([C@@H]2Cc3cccc(Cl)c3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001168742025 1129837795 /nfs/dbraw/zinc/83/77/95/1129837795.db2.gz BFTABIKUJYOTEG-QGZVFWFLSA-N 2 1 341.886 3.769 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658061947 1130103219 /nfs/dbraw/zinc/10/32/19/1130103219.db2.gz PWYAJMWWNTXODW-NQIIRXRSSA-N 2 1 343.559 3.544 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000658061947 1130103222 /nfs/dbraw/zinc/10/32/22/1130103222.db2.gz PWYAJMWWNTXODW-NQIIRXRSSA-N 2 1 343.559 3.544 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000922895762 1130346433 /nfs/dbraw/zinc/34/64/33/1130346433.db2.gz GPWPOGXLGABIBI-BRKWEVRTSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000922895762 1130346440 /nfs/dbraw/zinc/34/64/40/1130346440.db2.gz GPWPOGXLGABIBI-BRKWEVRTSA-N 2 1 342.527 3.834 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675751911 1130465387 /nfs/dbraw/zinc/46/53/87/1130465387.db2.gz GICVILLEJITLCM-AHRSYUTCSA-N 2 1 343.515 3.744 20 0 EHADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000675881433 1130499885 /nfs/dbraw/zinc/49/98/85/1130499885.db2.gz LGAJAYSZMCYFET-MMOPVJDHSA-N 2 1 328.500 3.858 20 0 EHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675881486 1130499929 /nfs/dbraw/zinc/49/99/29/1130499929.db2.gz MDYVUGXFLVCZRT-FKBYEOEOSA-N 2 1 342.527 3.946 20 0 EHADMP c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881224 1130500240 /nfs/dbraw/zinc/50/02/40/1130500240.db2.gz KURNYWXVTLVZQJ-PZJWPPBQSA-N 2 1 328.500 3.687 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(O)CCCCCC2)cc1 ZINC000348035240 1131132965 /nfs/dbraw/zinc/13/29/65/1131132965.db2.gz DFJAJKBRYXQIEA-MRXNPFEDSA-N 2 1 327.472 3.917 20 0 EHADMP COC(=O)C1(C)CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168770952 1131445541 /nfs/dbraw/zinc/44/55/41/1131445541.db2.gz PNUJANVCSFAGSK-DMVBEIBASA-N 2 1 336.520 3.623 20 0 EHADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172458431 1131751444 /nfs/dbraw/zinc/75/14/44/1131751444.db2.gz YUURBXXWKZUDKP-JKLQHZFJSA-N 2 1 344.543 3.938 20 0 EHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565428 1131773879 /nfs/dbraw/zinc/77/38/79/1131773879.db2.gz YEGYTIHYYFTHFJ-HJNYFJLDSA-N 2 1 342.527 3.898 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172578826 1131791910 /nfs/dbraw/zinc/79/19/10/1131791910.db2.gz SBQICFJSPGQLJS-UGSOOPFHSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172578826 1131791915 /nfs/dbraw/zinc/79/19/15/1131791915.db2.gz SBQICFJSPGQLJS-UGSOOPFHSA-N 2 1 342.861 3.967 20 0 EHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172578826 1131791929 /nfs/dbraw/zinc/79/19/29/1131791929.db2.gz SBQICFJSPGQLJS-UGSOOPFHSA-N 2 1 342.861 3.967 20 0 EHADMP CC1(C)CC([N@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC(C)(C)O1 ZINC001172662483 1131806190 /nfs/dbraw/zinc/80/61/90/1131806190.db2.gz ZSSIWTBRQONZSQ-DLBZAZTESA-N 2 1 326.500 3.621 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172920466 1131905404 /nfs/dbraw/zinc/90/54/04/1131905404.db2.gz RVTLJZHDTNICMJ-XKRYSZRTSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843775 1131990318 /nfs/dbraw/zinc/99/03/18/1131990318.db2.gz URZFNJDEIYPALK-RBBKRZOGSA-N 2 1 344.543 3.781 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000743843775 1131990324 /nfs/dbraw/zinc/99/03/24/1131990324.db2.gz URZFNJDEIYPALK-RBBKRZOGSA-N 2 1 344.543 3.781 20 0 EHADMP C[N@H+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872822 1131998695 /nfs/dbraw/zinc/99/86/95/1131998695.db2.gz AQJASPQCWWOPFG-CVEARBPZSA-N 2 1 327.299 3.634 20 0 EHADMP C[N@@H+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872822 1131998702 /nfs/dbraw/zinc/99/87/02/1131998702.db2.gz AQJASPQCWWOPFG-CVEARBPZSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872822 1131998709 /nfs/dbraw/zinc/99/87/09/1131998709.db2.gz AQJASPQCWWOPFG-CVEARBPZSA-N 2 1 327.299 3.634 20 0 EHADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872822 1131998722 /nfs/dbraw/zinc/99/87/22/1131998722.db2.gz AQJASPQCWWOPFG-CVEARBPZSA-N 2 1 327.299 3.634 20 0 EHADMP CCCC[C@H](CC(C)C)[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001173256772 1132021522 /nfs/dbraw/zinc/02/15/22/1132021522.db2.gz ULMKNMAARAEBMU-GOSISDBHSA-N 2 1 349.567 3.929 20 0 EHADMP CCCC[C@H](CC(C)C)[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001173256772 1132021528 /nfs/dbraw/zinc/02/15/28/1132021528.db2.gz ULMKNMAARAEBMU-GOSISDBHSA-N 2 1 349.567 3.929 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001173436907 1132068425 /nfs/dbraw/zinc/06/84/25/1132068425.db2.gz GDGPWPKCOIRSEV-ICSRJNTNSA-N 2 1 346.515 3.610 20 0 EHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000182255314 1132222622 /nfs/dbraw/zinc/22/26/22/1132222622.db2.gz FLBYQEHFBKDVBN-WTGUMLROSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC001174395301 1132330917 /nfs/dbraw/zinc/33/09/17/1132330917.db2.gz VTBWMOAMQZNBEH-UHFFFAOYSA-N 2 1 345.450 3.777 20 0 EHADMP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001174758704 1132466791 /nfs/dbraw/zinc/46/67/91/1132466791.db2.gz DUJHJEBTLFOVEZ-UNMCSNQZSA-N 2 1 341.543 3.853 20 0 EHADMP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001174758704 1132466796 /nfs/dbraw/zinc/46/67/96/1132466796.db2.gz DUJHJEBTLFOVEZ-UNMCSNQZSA-N 2 1 341.543 3.853 20 0 EHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000385815586 1132503828 /nfs/dbraw/zinc/50/38/28/1132503828.db2.gz NYZBRFPNILFGQH-BQJUDKOJSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001205995560 1132599506 /nfs/dbraw/zinc/59/95/06/1132599506.db2.gz PCLMSVBUFDQDIE-NEPJUHHUSA-N 2 1 345.712 3.909 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1NC(=O)OC(C)(C)C)C2 ZINC001169094937 1132653100 /nfs/dbraw/zinc/65/31/00/1132653100.db2.gz NRQNZCXSZRXZJE-BJWYYQGGSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1NC(=O)OC(C)(C)C)C2 ZINC001169094937 1132653105 /nfs/dbraw/zinc/65/31/05/1132653105.db2.gz NRQNZCXSZRXZJE-BJWYYQGGSA-N 2 1 345.487 3.748 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101242 1132655587 /nfs/dbraw/zinc/65/55/87/1132655587.db2.gz PSIXHDWWSGSBNW-YSTOQKLRSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)OCc1ccc(Cl)cc13)C2 ZINC001169155368 1132680918 /nfs/dbraw/zinc/68/09/18/1132680918.db2.gz NXNFGUHYQFQSQO-BCDXTJNWSA-N 2 1 346.902 3.787 20 0 EHADMP Clc1ccccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898888 1132891124 /nfs/dbraw/zinc/89/11/24/1132891124.db2.gz FFWVRFRYYMLWCR-BGYRXZFFSA-N 2 1 340.898 3.946 20 0 EHADMP Clc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898888 1132891134 /nfs/dbraw/zinc/89/11/34/1132891134.db2.gz FFWVRFRYYMLWCR-BGYRXZFFSA-N 2 1 340.898 3.946 20 0 EHADMP Clc1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898888 1132891145 /nfs/dbraw/zinc/89/11/45/1132891145.db2.gz FFWVRFRYYMLWCR-BGYRXZFFSA-N 2 1 340.898 3.946 20 0 EHADMP Clc1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898888 1132891156 /nfs/dbraw/zinc/89/11/56/1132891156.db2.gz FFWVRFRYYMLWCR-BGYRXZFFSA-N 2 1 340.898 3.946 20 0 EHADMP CC(C)C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001177199882 1133037806 /nfs/dbraw/zinc/03/78/06/1133037806.db2.gz RCPKUQFJZXUVGM-VQTJNVASSA-N 2 1 331.548 3.605 20 0 EHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001177290262 1133047655 /nfs/dbraw/zinc/04/76/55/1133047655.db2.gz PBLYRULIRNUJKQ-CALCHBBNSA-N 2 1 334.552 3.929 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000768104451 1133095679 /nfs/dbraw/zinc/09/56/79/1133095679.db2.gz KJVKSLQNLBTNMM-XJKSGUPXSA-N 2 1 340.870 3.773 20 0 EHADMP CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000768164585 1133103682 /nfs/dbraw/zinc/10/36/82/1133103682.db2.gz ZWVIZDFZAQVXBD-UHFFFAOYSA-N 2 1 342.483 3.788 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001206312079 1133127199 /nfs/dbraw/zinc/12/71/99/1133127199.db2.gz ZCNJDDBPFMYPIQ-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001206312079 1133127201 /nfs/dbraw/zinc/12/72/01/1133127201.db2.gz ZCNJDDBPFMYPIQ-OAHLLOKOSA-N 2 1 347.247 3.678 20 0 EHADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC001178457859 1133169935 /nfs/dbraw/zinc/16/99/35/1133169935.db2.gz FJGHKLNUMHZNJO-FUHWJXTLSA-N 2 1 344.499 3.524 20 0 EHADMP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC001178697420 1133192392 /nfs/dbraw/zinc/19/23/92/1133192392.db2.gz XALUTMPCSIGGNH-FQEVSTJZSA-N 2 1 343.515 3.874 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC001178697420 1133192395 /nfs/dbraw/zinc/19/23/95/1133192395.db2.gz XALUTMPCSIGGNH-FQEVSTJZSA-N 2 1 343.515 3.874 20 0 EHADMP C[NH+](Cc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001178697420 1133192399 /nfs/dbraw/zinc/19/23/99/1133192399.db2.gz XALUTMPCSIGGNH-FQEVSTJZSA-N 2 1 343.515 3.874 20 0 EHADMP C[NH+](Cc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001178697420 1133192402 /nfs/dbraw/zinc/19/24/02/1133192402.db2.gz XALUTMPCSIGGNH-FQEVSTJZSA-N 2 1 343.515 3.874 20 0 EHADMP CC(C)c1nc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c2ccccn21 ZINC001179173596 1133234354 /nfs/dbraw/zinc/23/43/54/1133234354.db2.gz TUCMEPQYSFNHFO-SFHVURJKSA-N 2 1 340.515 3.954 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c2ccccn21 ZINC001179173596 1133234359 /nfs/dbraw/zinc/23/43/59/1133234359.db2.gz TUCMEPQYSFNHFO-SFHVURJKSA-N 2 1 340.515 3.954 20 0 EHADMP CC(C)c1[nH+]c(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c2ccccn21 ZINC001179173596 1133234364 /nfs/dbraw/zinc/23/43/64/1133234364.db2.gz TUCMEPQYSFNHFO-SFHVURJKSA-N 2 1 340.515 3.954 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817221 1133287085 /nfs/dbraw/zinc/28/70/85/1133287085.db2.gz OYVPWMDTZXHODB-JCGIZDLHSA-N 2 1 330.472 3.984 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@]2(C)CCCCO2)CC1 ZINC001180052106 1133322392 /nfs/dbraw/zinc/32/23/92/1133322392.db2.gz PFONRHSGKVFAKP-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000769686141 1133325190 /nfs/dbraw/zinc/32/51/90/1133325190.db2.gz VEYHVENLFFTDNY-YYIAUSFCSA-N 2 1 341.540 3.531 20 0 EHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000769686141 1133325196 /nfs/dbraw/zinc/32/51/96/1133325196.db2.gz VEYHVENLFFTDNY-YYIAUSFCSA-N 2 1 341.540 3.531 20 0 EHADMP CC[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC001180141037 1133330170 /nfs/dbraw/zinc/33/01/70/1133330170.db2.gz CWHMNLFPKGIFAI-FQEVSTJZSA-N 2 1 342.483 3.547 20 0 EHADMP CCCC[N@@H+](CC)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001182235067 1133595923 /nfs/dbraw/zinc/59/59/23/1133595923.db2.gz MPNXPFZKEWDTMD-IBGZPJMESA-N 2 1 347.547 3.554 20 0 EHADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001206541883 1133738204 /nfs/dbraw/zinc/73/82/04/1133738204.db2.gz MONZTBRMLKGCKY-QGZVFWFLSA-N 2 1 339.321 3.833 20 0 EHADMP COCc1ccccc1/C=C(\C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001184300865 1133918394 /nfs/dbraw/zinc/91/83/94/1133918394.db2.gz DMAVUBGRKCLWPP-FWOMHANKSA-N 2 1 342.527 3.898 20 0 EHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881069 1134098043 /nfs/dbraw/zinc/09/80/43/1134098043.db2.gz OSSDZCRPJVSWMV-RTWAWAEBSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881069 1134098050 /nfs/dbraw/zinc/09/80/50/1134098050.db2.gz OSSDZCRPJVSWMV-RTWAWAEBSA-N 2 1 326.484 3.667 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881069 1134098054 /nfs/dbraw/zinc/09/80/54/1134098054.db2.gz OSSDZCRPJVSWMV-RTWAWAEBSA-N 2 1 326.484 3.667 20 0 EHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788633482 1134154391 /nfs/dbraw/zinc/15/43/91/1134154391.db2.gz UVLRFGFPYJZLMO-GRXQJBFDSA-N 2 1 339.483 3.594 20 0 EHADMP CC[C@H]1C[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170189983 1134702979 /nfs/dbraw/zinc/70/29/79/1134702979.db2.gz CQPYFHBHQSSIKQ-MUGJNUQGSA-N 2 1 346.515 3.725 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@@H+]2CCC[C@@H]2C)ccc1OC ZINC000775392842 1134710841 /nfs/dbraw/zinc/71/08/41/1134710841.db2.gz KNLFDZKWMHKSPI-ROUUACIJSA-N 2 1 347.547 3.672 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)NCC[N@H+]2CCC[C@@H]2C)ccc1OC ZINC000775392842 1134710846 /nfs/dbraw/zinc/71/08/46/1134710846.db2.gz KNLFDZKWMHKSPI-ROUUACIJSA-N 2 1 347.547 3.672 20 0 EHADMP CC[C@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241401 1134719913 /nfs/dbraw/zinc/71/99/13/1134719913.db2.gz WHXIKROKTUULSK-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCO1 ZINC001170241401 1134719920 /nfs/dbraw/zinc/71/99/20/1134719920.db2.gz WHXIKROKTUULSK-UXHICEINSA-N 2 1 334.479 3.680 20 0 EHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001170246414 1134722236 /nfs/dbraw/zinc/72/22/36/1134722236.db2.gz UMIQQIZDSVUBJU-CIAFKFPVSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001170246414 1134722240 /nfs/dbraw/zinc/72/22/40/1134722240.db2.gz UMIQQIZDSVUBJU-CIAFKFPVSA-N 2 1 342.527 3.788 20 0 EHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001170246414 1134722245 /nfs/dbraw/zinc/72/22/45/1134722245.db2.gz UMIQQIZDSVUBJU-CIAFKFPVSA-N 2 1 342.527 3.788 20 0 EHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ncccc2F)ccc1OC ZINC000775418197 1134759305 /nfs/dbraw/zinc/75/93/05/1134759305.db2.gz YVWGVFDYYYRPGG-OAHLLOKOSA-N 2 1 345.462 3.922 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001191455124 1134873929 /nfs/dbraw/zinc/87/39/29/1134873929.db2.gz VAVBNUJMWQATDD-SFHVURJKSA-N 2 1 338.923 3.705 20 0 EHADMP COc1c(C)cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000793203683 1134883226 /nfs/dbraw/zinc/88/32/26/1134883226.db2.gz XMTXAIBSLNXHFM-FQEVSTJZSA-N 2 1 338.495 3.924 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775512779 1134983532 /nfs/dbraw/zinc/98/35/32/1134983532.db2.gz MWJJASYGMSKRJB-OXQOHEQNSA-N 2 1 341.499 3.724 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001170446115 1135043297 /nfs/dbraw/zinc/04/32/97/1135043297.db2.gz ZRBDRHAEXMYOQO-IBGZPJMESA-N 2 1 346.515 3.789 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC001192918893 1135073290 /nfs/dbraw/zinc/07/32/90/1135073290.db2.gz PRVJLYDVKQEFAN-IAGOWNOFSA-N 2 1 344.421 3.680 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000809766093 1135888428 /nfs/dbraw/zinc/88/84/28/1135888428.db2.gz URCWMHPUGJPNLJ-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000809766093 1135888429 /nfs/dbraw/zinc/88/84/29/1135888429.db2.gz URCWMHPUGJPNLJ-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766093 1135888430 /nfs/dbraw/zinc/88/84/30/1135888430.db2.gz URCWMHPUGJPNLJ-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766093 1135888431 /nfs/dbraw/zinc/88/84/31/1135888431.db2.gz URCWMHPUGJPNLJ-CJNGLKHVSA-N 2 1 325.294 3.530 20 0 EHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000809754637 1135886658 /nfs/dbraw/zinc/88/66/58/1135886658.db2.gz LGYQTYRUWRUKPS-JJRVBVJISA-N 2 1 343.298 3.633 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000105442899 1135947779 /nfs/dbraw/zinc/94/77/79/1135947779.db2.gz BMYXWVCJOWMJOA-CYBMUJFWSA-N 2 1 341.377 3.559 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000105442742 1135948010 /nfs/dbraw/zinc/94/80/10/1135948010.db2.gz VFQNXNYTTIZKDN-INIZCTEOSA-N 2 1 327.472 3.939 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC001200970579 1135969941 /nfs/dbraw/zinc/96/99/41/1135969941.db2.gz BQEGBWHYZGCQQX-UHFFFAOYSA-N 2 1 344.474 3.958 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001201557136 1136039896 /nfs/dbraw/zinc/03/98/96/1136039896.db2.gz GGQPHSSCCNDQSR-GOSISDBHSA-N 2 1 340.515 3.843 20 0 EHADMP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947023 1136077181 /nfs/dbraw/zinc/07/71/81/1136077181.db2.gz PVIUPBWTWBFJBQ-NQPDJEJGSA-N 2 1 328.500 3.951 20 0 EHADMP CO[C@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000852087421 1136432371 /nfs/dbraw/zinc/43/23/71/1136432371.db2.gz ZURDZBAPSYSQKI-UXHICEINSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000852087420 1136432647 /nfs/dbraw/zinc/43/26/47/1136432647.db2.gz ZURDZBAPSYSQKI-PMACEKPBSA-N 2 1 328.500 3.542 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852728311 1136480371 /nfs/dbraw/zinc/48/03/71/1136480371.db2.gz AEELGZWLTGMIJF-RTBURBONSA-N 2 1 349.906 3.973 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239372 1136521055 /nfs/dbraw/zinc/52/10/55/1136521055.db2.gz GKFLMNGNEXENPD-PKOBYXMFSA-N 2 1 338.499 3.645 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000853239372 1136521056 /nfs/dbraw/zinc/52/10/56/1136521056.db2.gz GKFLMNGNEXENPD-PKOBYXMFSA-N 2 1 338.499 3.645 20 0 EHADMP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000853241095 1136521341 /nfs/dbraw/zinc/52/13/41/1136521341.db2.gz ULMJGGPMMZISQQ-AEFFLSMTSA-N 2 1 346.515 3.614 20 0 EHADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000854222230 1136599167 /nfs/dbraw/zinc/59/91/67/1136599167.db2.gz DGNAATYWGRQZTC-SIXLDLHFSA-N 2 1 344.396 3.982 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](O)c1c(F)cccc1F ZINC000817916731 1136845863 /nfs/dbraw/zinc/84/58/63/1136845863.db2.gz BECYFHFESMKZAM-BMFAXAFESA-N 2 1 332.394 3.511 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1nc(Br)cs1 ZINC000817964202 1136852275 /nfs/dbraw/zinc/85/22/75/1136852275.db2.gz ZIOMIQFGVHZCJO-VHSXEESVSA-N 2 1 340.290 3.776 20 0 EHADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000818961079 1136891946 /nfs/dbraw/zinc/89/19/46/1136891946.db2.gz MOPAHRIDBMZTDB-OAQYLSRUSA-N 2 1 344.474 3.798 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857846278 1136911748 /nfs/dbraw/zinc/91/17/48/1136911748.db2.gz BFPKXLBMTIWNHM-JXFKEZNVSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857846278 1136911749 /nfs/dbraw/zinc/91/17/49/1136911749.db2.gz BFPKXLBMTIWNHM-JXFKEZNVSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857846278 1136911751 /nfs/dbraw/zinc/91/17/51/1136911751.db2.gz BFPKXLBMTIWNHM-JXFKEZNVSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857846278 1136911754 /nfs/dbraw/zinc/91/17/54/1136911754.db2.gz BFPKXLBMTIWNHM-JXFKEZNVSA-N 2 1 338.499 3.809 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819183751 1136920484 /nfs/dbraw/zinc/92/04/84/1136920484.db2.gz YRXARTSXIQBUJZ-GCJKJVERSA-N 2 1 340.511 3.831 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857909813 1136921205 /nfs/dbraw/zinc/92/12/05/1136921205.db2.gz BSRZXCIQEYMGIU-LXZKKBNFSA-N 2 1 333.907 3.965 20 0 EHADMP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857909813 1136921209 /nfs/dbraw/zinc/92/12/09/1136921209.db2.gz BSRZXCIQEYMGIU-LXZKKBNFSA-N 2 1 333.907 3.965 20 0 EHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCCCO1 ZINC000858402217 1136964685 /nfs/dbraw/zinc/96/46/85/1136964685.db2.gz VVOUYGZDHQGYPD-DYESRHJHSA-N 2 1 345.531 3.834 20 0 EHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCCCO1 ZINC000858402218 1136964815 /nfs/dbraw/zinc/96/48/15/1136964815.db2.gz VVOUYGZDHQGYPD-LAUBAEHRSA-N 2 1 345.531 3.834 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490203 1136972556 /nfs/dbraw/zinc/97/25/56/1136972556.db2.gz CVKXEJSTEWWDNW-RYUDHWBXSA-N 2 1 330.303 3.958 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000858537029 1136977104 /nfs/dbraw/zinc/97/71/04/1136977104.db2.gz ARCVHAWTFDBALM-ULQDDVLXSA-N 2 1 333.426 3.999 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170986689 1137058624 /nfs/dbraw/zinc/05/86/24/1137058624.db2.gz NYWKMAGJACFJPH-KRWDZBQOSA-N 2 1 339.458 3.625 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000862280050 1137137267 /nfs/dbraw/zinc/13/72/67/1137137267.db2.gz FLLHSCPCNVRCBO-NVXWUHKLSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000862280050 1137137268 /nfs/dbraw/zinc/13/72/68/1137137268.db2.gz FLLHSCPCNVRCBO-NVXWUHKLSA-N 2 1 333.476 3.763 20 0 EHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC3CC[NH2+]CC3)c2)cc1 ZINC000863690146 1137199425 /nfs/dbraw/zinc/19/94/25/1137199425.db2.gz LNNHCXVPSMQDSI-KRWDZBQOSA-N 2 1 338.499 3.534 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000844222171 1137203394 /nfs/dbraw/zinc/20/33/94/1137203394.db2.gz YUBZMEUYFYUZAQ-FPOVZHCZSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000844222171 1137203396 /nfs/dbraw/zinc/20/33/96/1137203396.db2.gz YUBZMEUYFYUZAQ-FPOVZHCZSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000844222171 1137203398 /nfs/dbraw/zinc/20/33/98/1137203398.db2.gz YUBZMEUYFYUZAQ-FPOVZHCZSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222171 1137203400 /nfs/dbraw/zinc/20/34/00/1137203400.db2.gz YUBZMEUYFYUZAQ-FPOVZHCZSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222171 1137203401 /nfs/dbraw/zinc/20/34/01/1137203401.db2.gz YUBZMEUYFYUZAQ-FPOVZHCZSA-N 3 1 331.548 3.881 20 0 EHADMP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001144218901 1137253312 /nfs/dbraw/zinc/25/33/12/1137253312.db2.gz JOJZYGCKTSJVKF-UHFFFAOYSA-N 2 1 339.483 3.599 20 0 EHADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001144218901 1137253314 /nfs/dbraw/zinc/25/33/14/1137253314.db2.gz JOJZYGCKTSJVKF-UHFFFAOYSA-N 2 1 339.483 3.599 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5cc[nH]c54)C[C@@H]3C2)c1 ZINC001144711980 1137333060 /nfs/dbraw/zinc/33/30/60/1137333060.db2.gz GGSZTXGVKBRDGG-QZTJIDSGSA-N 2 1 337.492 3.793 20 0 EHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5cc[nH]c54)C[C@H]3C2)c1 ZINC001144711979 1137333249 /nfs/dbraw/zinc/33/32/49/1137333249.db2.gz GGSZTXGVKBRDGG-HDICACEKSA-N 2 1 337.492 3.793 20 0 EHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5cc[nH]c54)C[C@H]3C2)c1 ZINC001144711979 1137333252 /nfs/dbraw/zinc/33/32/52/1137333252.db2.gz GGSZTXGVKBRDGG-HDICACEKSA-N 2 1 337.492 3.793 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5cc[nH]c54)C[C@H]3C2)c1 ZINC001144711979 1137333253 /nfs/dbraw/zinc/33/32/53/1137333253.db2.gz GGSZTXGVKBRDGG-HDICACEKSA-N 2 1 337.492 3.793 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5cc[nH]c54)C[C@H]3C2)c1 ZINC001144711979 1137333255 /nfs/dbraw/zinc/33/32/55/1137333255.db2.gz GGSZTXGVKBRDGG-HDICACEKSA-N 2 1 337.492 3.793 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537425 1137362566 /nfs/dbraw/zinc/36/25/66/1137362566.db2.gz OIGCLYNNOHGDRV-KDXIVRHGSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866537425 1137362569 /nfs/dbraw/zinc/36/25/69/1137362569.db2.gz OIGCLYNNOHGDRV-KDXIVRHGSA-N 2 1 342.527 3.549 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)c2cc1C(C)C ZINC000846708612 1137363352 /nfs/dbraw/zinc/36/33/52/1137363352.db2.gz SBCFKWMJCXFJNL-ZBFHGGJFSA-N 2 1 328.456 3.536 20 0 EHADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)c2cc1C(C)C ZINC000846708612 1137363354 /nfs/dbraw/zinc/36/33/54/1137363354.db2.gz SBCFKWMJCXFJNL-ZBFHGGJFSA-N 2 1 328.456 3.536 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)oc1C ZINC000282709679 1137440293 /nfs/dbraw/zinc/44/02/93/1137440293.db2.gz LJMWBDGFSSTMGF-UZLBHIALSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)oc1C ZINC000282709679 1137440294 /nfs/dbraw/zinc/44/02/94/1137440294.db2.gz LJMWBDGFSSTMGF-UZLBHIALSA-N 2 1 342.483 3.704 20 0 EHADMP COC1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716637274 1137487919 /nfs/dbraw/zinc/48/79/19/1137487919.db2.gz LZJMEGVDFFYMON-ZMBMEPKQSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC001171572174 1137499004 /nfs/dbraw/zinc/49/90/04/1137499004.db2.gz FQJVQFOKXYLOMF-UHFFFAOYSA-N 2 1 349.519 3.996 20 0 EHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC1(C)C ZINC001171641320 1137504578 /nfs/dbraw/zinc/50/45/78/1137504578.db2.gz OJOCDHNWAWIFKE-GOSISDBHSA-N 2 1 330.516 3.581 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CCOC[C@H]2Cc2ccccc2)CC1(C)C ZINC001171641320 1137504579 /nfs/dbraw/zinc/50/45/79/1137504579.db2.gz OJOCDHNWAWIFKE-GOSISDBHSA-N 2 1 330.516 3.581 20 0 EHADMP C[C@H]1C[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC001171725437 1137506511 /nfs/dbraw/zinc/50/65/11/1137506511.db2.gz LXKOCEIEJUSKHZ-QFBILLFUSA-N 2 1 329.532 3.630 20 0 EHADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171727603 1137506577 /nfs/dbraw/zinc/50/65/77/1137506577.db2.gz XARBHEMEKKTZCN-RYRKJORJSA-N 2 1 334.467 3.892 20 0 EHADMP CCCCCC[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764765 1137509292 /nfs/dbraw/zinc/50/92/92/1137509292.db2.gz UVMSUYYNCPQDJA-IRLDBZIGSA-N 2 1 343.559 3.847 20 0 EHADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001171737091 1137510477 /nfs/dbraw/zinc/51/04/77/1137510477.db2.gz ATMZAYZRKDZKDK-IHPCNDPISA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001171737091 1137510479 /nfs/dbraw/zinc/51/04/79/1137510479.db2.gz ATMZAYZRKDZKDK-IHPCNDPISA-N 2 1 329.532 3.502 20 0 EHADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171737091 1137510481 /nfs/dbraw/zinc/51/04/81/1137510481.db2.gz ATMZAYZRKDZKDK-IHPCNDPISA-N 2 1 329.532 3.502 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962063 1137519597 /nfs/dbraw/zinc/51/95/97/1137519597.db2.gz BDGOBROHILLFEP-OAQYLSRUSA-N 3 1 343.559 3.895 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001171962063 1137519598 /nfs/dbraw/zinc/51/95/98/1137519598.db2.gz BDGOBROHILLFEP-OAQYLSRUSA-N 2 1 343.559 3.895 20 0 EHADMP CC1(C)C[C@H](NCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966986 1137520648 /nfs/dbraw/zinc/52/06/48/1137520648.db2.gz WYLKPVDINKKOLY-HXUWFJFHSA-N 2 1 329.532 3.505 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2(C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171970858 1137523722 /nfs/dbraw/zinc/52/37/22/1137523722.db2.gz FPCBOTYHQNXZSO-HXUWFJFHSA-N 2 1 342.527 3.978 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171973387 1137524046 /nfs/dbraw/zinc/52/40/46/1137524046.db2.gz YCGCVIGMXQDLPO-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171973387 1137524048 /nfs/dbraw/zinc/52/40/48/1137524048.db2.gz YCGCVIGMXQDLPO-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171973387 1137524049 /nfs/dbraw/zinc/52/40/49/1137524049.db2.gz YCGCVIGMXQDLPO-BURNTYAHSA-N 2 1 341.543 3.644 20 0 EHADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171974837 1137524457 /nfs/dbraw/zinc/52/44/57/1137524457.db2.gz JGWCQSADZHSNOC-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974837 1137524458 /nfs/dbraw/zinc/52/44/58/1137524458.db2.gz JGWCQSADZHSNOC-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974837 1137524460 /nfs/dbraw/zinc/52/44/60/1137524460.db2.gz JGWCQSADZHSNOC-WOJBJXKFSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976010 1137525307 /nfs/dbraw/zinc/52/53/07/1137525307.db2.gz HLFDRZXPECGYSH-SYYKKAFVSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976010 1137525309 /nfs/dbraw/zinc/52/53/09/1137525309.db2.gz HLFDRZXPECGYSH-SYYKKAFVSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[C@@]1(C)O ZINC001171976010 1137525310 /nfs/dbraw/zinc/52/53/10/1137525310.db2.gz HLFDRZXPECGYSH-SYYKKAFVSA-N 2 1 344.543 3.913 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983490 1137526471 /nfs/dbraw/zinc/52/64/71/1137526471.db2.gz XUNCOOJIWYBCTF-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983490 1137526472 /nfs/dbraw/zinc/52/64/72/1137526472.db2.gz XUNCOOJIWYBCTF-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983490 1137526473 /nfs/dbraw/zinc/52/64/73/1137526473.db2.gz XUNCOOJIWYBCTF-IFMALSPDSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986200 1137527356 /nfs/dbraw/zinc/52/73/56/1137527356.db2.gz GKEUHEGBXZMKRJ-RTWAWAEBSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986200 1137527357 /nfs/dbraw/zinc/52/73/57/1137527357.db2.gz GKEUHEGBXZMKRJ-RTWAWAEBSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986200 1137527358 /nfs/dbraw/zinc/52/73/58/1137527358.db2.gz GKEUHEGBXZMKRJ-RTWAWAEBSA-N 2 1 343.559 3.844 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]3(CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983493 1137527550 /nfs/dbraw/zinc/52/75/50/1137527550.db2.gz XUNCOOJIWYBCTF-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983493 1137527551 /nfs/dbraw/zinc/52/75/51/1137527551.db2.gz XUNCOOJIWYBCTF-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983493 1137527553 /nfs/dbraw/zinc/52/75/53/1137527553.db2.gz XUNCOOJIWYBCTF-RBBKRZOGSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076401 1137530354 /nfs/dbraw/zinc/53/03/54/1137530354.db2.gz IRFNXOPGZWEQIR-WOZUAGRISA-N 2 1 330.516 3.569 20 0 EHADMP COCC[N@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075192 1137530625 /nfs/dbraw/zinc/53/06/25/1137530625.db2.gz OOFYTAQVZNPCFF-AERCQKQUSA-N 2 1 330.516 3.929 20 0 EHADMP COCC[N@@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075192 1137530627 /nfs/dbraw/zinc/53/06/27/1137530627.db2.gz OOFYTAQVZNPCFF-AERCQKQUSA-N 2 1 330.516 3.929 20 0 EHADMP COCC[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075192 1137530628 /nfs/dbraw/zinc/53/06/28/1137530628.db2.gz OOFYTAQVZNPCFF-AERCQKQUSA-N 2 1 330.516 3.929 20 0 EHADMP COCC[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075192 1137530630 /nfs/dbraw/zinc/53/06/30/1137530630.db2.gz OOFYTAQVZNPCFF-AERCQKQUSA-N 2 1 330.516 3.929 20 0 EHADMP C[NH2+]CCN([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC001172086443 1137532077 /nfs/dbraw/zinc/53/20/77/1137532077.db2.gz GEHGLBGUXXPHSE-AERCQKQUSA-N 2 1 343.559 3.892 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063524 1137533206 /nfs/dbraw/zinc/53/32/06/1137533206.db2.gz BAAJQFQQVYBEED-OTNPHJDUSA-N 2 1 336.483 3.713 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cncnc1 ZINC001172063524 1137533208 /nfs/dbraw/zinc/53/32/08/1137533208.db2.gz BAAJQFQQVYBEED-OTNPHJDUSA-N 2 1 336.483 3.713 20 0 EHADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001172070182 1137535034 /nfs/dbraw/zinc/53/50/34/1137535034.db2.gz MVMQLNIQDAAFHE-MXEMCNAFSA-N 2 1 328.500 3.587 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126568 1137535105 /nfs/dbraw/zinc/53/51/05/1137535105.db2.gz WZIXVFJLLLHPSA-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126568 1137535106 /nfs/dbraw/zinc/53/51/06/1137535106.db2.gz WZIXVFJLLLHPSA-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126568 1137535107 /nfs/dbraw/zinc/53/51/07/1137535107.db2.gz WZIXVFJLLLHPSA-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)C1CCOCC1)C2 ZINC001172126568 1137535108 /nfs/dbraw/zinc/53/51/08/1137535108.db2.gz WZIXVFJLLLHPSA-AERCQKQUSA-N 2 1 328.500 3.683 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172128368 1137535528 /nfs/dbraw/zinc/53/55/28/1137535528.db2.gz RJILXCWRALDBSF-IJXRJRJASA-N 2 1 338.499 3.922 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172128368 1137535530 /nfs/dbraw/zinc/53/55/30/1137535530.db2.gz RJILXCWRALDBSF-IJXRJRJASA-N 2 1 338.499 3.922 20 0 EHADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129440 1137535820 /nfs/dbraw/zinc/53/58/20/1137535820.db2.gz ZSGKJXBNIJGEFC-IJXRJRJASA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129440 1137535822 /nfs/dbraw/zinc/53/58/22/1137535822.db2.gz ZSGKJXBNIJGEFC-IJXRJRJASA-N 2 1 346.515 3.547 20 0 EHADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129440 1137535823 /nfs/dbraw/zinc/53/58/23/1137535823.db2.gz ZSGKJXBNIJGEFC-IJXRJRJASA-N 2 1 346.515 3.547 20 0 EHADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132510 1137536026 /nfs/dbraw/zinc/53/60/26/1137536026.db2.gz LYBDJCQPZBNDGY-LRSLUSHPSA-N 2 1 341.543 3.598 20 0 EHADMP CN([C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132510 1137536028 /nfs/dbraw/zinc/53/60/28/1137536028.db2.gz LYBDJCQPZBNDGY-LRSLUSHPSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172106194 1137536367 /nfs/dbraw/zinc/53/63/67/1137536367.db2.gz NELAIZXDPGIZKH-NUZGMZIFSA-N 3 1 333.564 3.636 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172106194 1137536368 /nfs/dbraw/zinc/53/63/68/1137536368.db2.gz NELAIZXDPGIZKH-NUZGMZIFSA-N 2 1 333.564 3.636 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001172110333 1137536908 /nfs/dbraw/zinc/53/69/08/1137536908.db2.gz MMEOVGHIQKZZCS-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001172110333 1137536910 /nfs/dbraw/zinc/53/69/10/1137536910.db2.gz MMEOVGHIQKZZCS-QKDCVEJESA-N 2 1 341.268 3.693 20 0 EHADMP COc1ccc(Oc2cccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2)cc1 ZINC001206156981 1137537101 /nfs/dbraw/zinc/53/71/01/1137537101.db2.gz VCTIJWAWQVMPAL-PMACEKPBSA-N 2 1 344.430 3.749 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001172115963 1137538536 /nfs/dbraw/zinc/53/85/36/1137538536.db2.gz WQVMHIVQGKWQFK-HAGHYFMRSA-N 2 1 347.934 3.519 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001172115963 1137538538 /nfs/dbraw/zinc/53/85/38/1137538538.db2.gz WQVMHIVQGKWQFK-HAGHYFMRSA-N 2 1 347.934 3.519 20 0 EHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CSc3ccccc3C2)[nH+]1 ZINC001172208871 1137541462 /nfs/dbraw/zinc/54/14/62/1137541462.db2.gz LTUQMESNWVNFSA-SFHVURJKSA-N 2 1 339.508 3.665 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001172253435 1137544644 /nfs/dbraw/zinc/54/46/44/1137544644.db2.gz PQBAEYXHUUAQNE-IBGZPJMESA-N 2 1 348.506 3.581 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001172253435 1137544645 /nfs/dbraw/zinc/54/46/45/1137544645.db2.gz PQBAEYXHUUAQNE-IBGZPJMESA-N 2 1 348.506 3.581 20 0 EHADMP CCOCC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422627 1137556482 /nfs/dbraw/zinc/55/64/82/1137556482.db2.gz VOTGHULEEFFDRP-WDSOQIARSA-N 2 1 334.504 3.582 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020336 1137565078 /nfs/dbraw/zinc/56/50/78/1137565078.db2.gz GFCWMRRYMLNKFL-BEFAXECRSA-N 2 1 344.499 3.545 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cc(O)ccc1F ZINC000872022052 1137565195 /nfs/dbraw/zinc/56/51/95/1137565195.db2.gz WCIULUOWHRGKIX-OAHLLOKOSA-N 2 1 328.431 3.978 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cc(O)ccc1F ZINC000872032776 1137566595 /nfs/dbraw/zinc/56/65/95/1137566595.db2.gz ZFISPRUUYDITCE-OAHLLOKOSA-N 2 1 346.446 3.713 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151343 1137574049 /nfs/dbraw/zinc/57/40/49/1137574049.db2.gz VHVQXUGSANXNKR-CDMKHQONSA-N 2 1 340.311 3.835 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151343 1137574050 /nfs/dbraw/zinc/57/40/50/1137574050.db2.gz VHVQXUGSANXNKR-CDMKHQONSA-N 2 1 340.311 3.835 20 0 EHADMP Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])n2)cc1F ZINC000872155453 1137574072 /nfs/dbraw/zinc/57/40/72/1137574072.db2.gz SIHGUHCTVKDEEJ-CQSZACIVSA-N 2 1 334.439 3.696 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)c(C)s1 ZINC000873017319 1137588191 /nfs/dbraw/zinc/58/81/91/1137588191.db2.gz ZNSGGXHVOOTKOE-UHFFFAOYSA-N 2 1 328.279 3.504 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000873289709 1137596587 /nfs/dbraw/zinc/59/65/87/1137596587.db2.gz XBMVPQUYFZJXIG-MGPUTAFESA-N 2 1 327.447 3.551 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(N)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000873289709 1137596588 /nfs/dbraw/zinc/59/65/88/1137596588.db2.gz XBMVPQUYFZJXIG-MGPUTAFESA-N 2 1 327.447 3.551 20 0 EHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876935673 1137665794 /nfs/dbraw/zinc/66/57/94/1137665794.db2.gz FRJFYOUVFQATSL-SVQXRNPESA-N 2 1 332.469 3.667 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877739620 1137687684 /nfs/dbraw/zinc/68/76/84/1137687684.db2.gz PBOQNTAPJZCXLS-ZWKOTPCHSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877739620 1137687685 /nfs/dbraw/zinc/68/76/85/1137687685.db2.gz PBOQNTAPJZCXLS-ZWKOTPCHSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877739620 1137687686 /nfs/dbraw/zinc/68/76/86/1137687686.db2.gz PBOQNTAPJZCXLS-ZWKOTPCHSA-N 2 1 327.497 3.645 20 0 EHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877739620 1137687687 /nfs/dbraw/zinc/68/76/87/1137687687.db2.gz PBOQNTAPJZCXLS-ZWKOTPCHSA-N 2 1 327.497 3.645 20 0 EHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)O2)cc1 ZINC000878746705 1137726978 /nfs/dbraw/zinc/72/69/78/1137726978.db2.gz DETCFBFGXXBZMA-SFTDATJTSA-N 2 1 337.467 3.514 20 0 EHADMP c1ccc([C@H]2CC[C@H](C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)O2)cc1 ZINC000878746703 1137726991 /nfs/dbraw/zinc/72/69/91/1137726991.db2.gz DETCFBFGXXBZMA-NHCUHLMSSA-N 2 1 337.467 3.514 20 0 EHADMP Cc1cccc(C)c1NC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704340 1137755870 /nfs/dbraw/zinc/75/58/70/1137755870.db2.gz PFOLUWWSJLDTRP-UHFFFAOYSA-N 2 1 345.531 3.542 20 0 EHADMP COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000880175642 1137769774 /nfs/dbraw/zinc/76/97/74/1137769774.db2.gz BXJSUCKGZCKFRT-SFHVURJKSA-N 2 1 345.512 3.542 20 0 EHADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000880175642 1137769775 /nfs/dbraw/zinc/76/97/75/1137769775.db2.gz BXJSUCKGZCKFRT-SFHVURJKSA-N 2 1 345.512 3.542 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880276406 1137772860 /nfs/dbraw/zinc/77/28/60/1137772860.db2.gz HAIFHNXXKFSWOW-GOSISDBHSA-N 2 1 349.482 3.622 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880276406 1137772861 /nfs/dbraw/zinc/77/28/61/1137772861.db2.gz HAIFHNXXKFSWOW-GOSISDBHSA-N 2 1 349.482 3.622 20 0 EHADMP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1sccc1Cl ZINC000883172570 1137847152 /nfs/dbraw/zinc/84/71/52/1137847152.db2.gz MCXKASGHSPPUIL-INIZCTEOSA-N 2 1 343.968 3.860 20 0 EHADMP CCSc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000883245506 1137850202 /nfs/dbraw/zinc/85/02/02/1137850202.db2.gz MZTKXCDQOXDMDI-GOSISDBHSA-N 2 1 334.529 3.532 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCC4(COC4)CC3)CC23CC3)cc1 ZINC000883382334 1137858380 /nfs/dbraw/zinc/85/83/80/1137858380.db2.gz FBCICFSXRKACRR-FQEVSTJZSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCC4(COC4)CC3)CC23CC3)cc1 ZINC000883382334 1137858381 /nfs/dbraw/zinc/85/83/81/1137858381.db2.gz FBCICFSXRKACRR-FQEVSTJZSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000112517282 1137908172 /nfs/dbraw/zinc/90/81/72/1137908172.db2.gz UGWKDOWCHWEUER-QFIPXVFZSA-N 2 1 336.479 3.686 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000886501233 1138084645 /nfs/dbraw/zinc/08/46/45/1138084645.db2.gz BPKVVBOUNOUWBP-ORAYPTAESA-N 2 1 327.447 3.758 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094821 1138166217 /nfs/dbraw/zinc/16/62/17/1138166217.db2.gz YWQYHXUJIGXSNU-DNVCBOLYSA-N 2 1 342.483 3.572 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094821 1138166218 /nfs/dbraw/zinc/16/62/18/1138166218.db2.gz YWQYHXUJIGXSNU-DNVCBOLYSA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094821 1138166220 /nfs/dbraw/zinc/16/62/20/1138166220.db2.gz YWQYHXUJIGXSNU-DNVCBOLYSA-N 2 1 342.483 3.572 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000081094821 1138166223 /nfs/dbraw/zinc/16/62/23/1138166223.db2.gz YWQYHXUJIGXSNU-DNVCBOLYSA-N 2 1 342.483 3.572 20 0 EHADMP Cc1csc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000088594447 1138194670 /nfs/dbraw/zinc/19/46/70/1138194670.db2.gz QBOQUBPWIMIGGN-UHFFFAOYSA-N 2 1 329.513 3.796 20 0 EHADMP CO[C@H](CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000348420505 1138305505 /nfs/dbraw/zinc/30/55/05/1138305505.db2.gz LTFUXERHAXFKAV-MLGOLLRUSA-N 2 1 341.377 3.799 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126031325 1138322335 /nfs/dbraw/zinc/32/23/35/1138322335.db2.gz WLIMGTNRNIJVLI-GQIGUUNPSA-N 2 1 343.515 3.634 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126031325 1138322339 /nfs/dbraw/zinc/32/23/39/1138322339.db2.gz WLIMGTNRNIJVLI-GQIGUUNPSA-N 2 1 343.515 3.634 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000336892623 1138422123 /nfs/dbraw/zinc/42/21/23/1138422123.db2.gz SBBRIKVIRBEPBB-UHFFFAOYSA-N 2 1 346.475 3.500 20 0 EHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000337992939 1138718443 /nfs/dbraw/zinc/71/84/43/1138718443.db2.gz GZYIVYJPYLRNEG-FXAWDEMLSA-N 2 1 334.479 3.527 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000338008735 1138722950 /nfs/dbraw/zinc/72/29/50/1138722950.db2.gz UEDPWODNEFJCKK-MRXNPFEDSA-N 2 1 348.288 3.930 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000338010091 1138722996 /nfs/dbraw/zinc/72/29/96/1138722996.db2.gz INJMQYQGUGUCOK-OAHLLOKOSA-N 2 1 338.377 3.663 20 0 EHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000338010490 1138723343 /nfs/dbraw/zinc/72/33/43/1138723343.db2.gz UWGKDNPILIVNLA-JRGCBEDISA-N 2 1 348.506 3.651 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000152477337 1139093748 /nfs/dbraw/zinc/09/37/48/1139093748.db2.gz IHSHBTWITHBMIP-STQMWFEESA-N 2 1 328.378 3.720 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000175013776 1139457721 /nfs/dbraw/zinc/45/77/21/1139457721.db2.gz HMFSHOCIXCICMH-WOJBJXKFSA-N 2 1 339.483 3.623 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179948592 1139795594 /nfs/dbraw/zinc/79/55/94/1139795594.db2.gz ACJKDWYKNRXKIZ-UHFFFAOYSA-N 2 1 326.488 3.631 20 0 EHADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000180110188 1139809795 /nfs/dbraw/zinc/80/97/95/1139809795.db2.gz SGHKFTQKYUWOCH-VEEZFSHISA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000180110188 1139809802 /nfs/dbraw/zinc/80/98/02/1139809802.db2.gz SGHKFTQKYUWOCH-VEEZFSHISA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000180110188 1139809810 /nfs/dbraw/zinc/80/98/10/1139809810.db2.gz SGHKFTQKYUWOCH-VEEZFSHISA-N 3 1 341.543 3.504 20 0 EHADMP CCC(CC)(CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180152241 1139814126 /nfs/dbraw/zinc/81/41/26/1139814126.db2.gz GZOOVQVNSHWRJC-SEJPIABJSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180643791 1139853194 /nfs/dbraw/zinc/85/31/94/1139853194.db2.gz KRHRYEMUEDAYBY-QRWLVFNGSA-N 2 1 344.886 3.757 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000181573981 1139916484 /nfs/dbraw/zinc/91/64/84/1139916484.db2.gz GOQPYLWLIRCEKC-MNEFBYGVSA-N 2 1 343.446 3.613 20 0 EHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182224979 1139959317 /nfs/dbraw/zinc/95/93/17/1139959317.db2.gz SHWBLCZHTZYMCX-GPMSIDNRSA-N 2 1 343.515 3.949 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000182230486 1139959456 /nfs/dbraw/zinc/95/94/56/1139959456.db2.gz UQPSQHKFVVKNMW-HNAYVOBHSA-N 2 1 330.497 3.556 20 0 EHADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182229991 1139959534 /nfs/dbraw/zinc/95/95/34/1139959534.db2.gz PMQISOSHYZMVMH-WIYYLYMNSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183672953 1140052744 /nfs/dbraw/zinc/05/27/44/1140052744.db2.gz WLDRDUFCOKDTOB-ZDUSSCGKSA-N 2 1 326.469 3.839 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268774526 1140989235 /nfs/dbraw/zinc/98/92/35/1140989235.db2.gz GISHMDZYDCBAHI-STZQEDGTSA-N 2 1 338.495 3.529 20 0 EHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000268802815 1140995748 /nfs/dbraw/zinc/99/57/48/1140995748.db2.gz IACKRQHCPUIMPL-QFIPXVFZSA-N 2 1 345.575 3.651 20 0 EHADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c(C)n1 ZINC000268867264 1141012089 /nfs/dbraw/zinc/01/20/89/1141012089.db2.gz WWXIKTAPPUMSIZ-HNNXBMFYSA-N 2 1 326.488 3.784 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000268891440 1141019205 /nfs/dbraw/zinc/01/92/05/1141019205.db2.gz JTSAXVJBLZYLTR-FIKGOQFSSA-N 2 1 346.515 3.504 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268991671 1141040220 /nfs/dbraw/zinc/04/02/20/1141040220.db2.gz RMYJCDBGKPZSAV-HLAWJBBLSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268991671 1141040227 /nfs/dbraw/zinc/04/02/27/1141040227.db2.gz RMYJCDBGKPZSAV-HLAWJBBLSA-N 2 1 332.532 3.674 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269008676 1141045920 /nfs/dbraw/zinc/04/59/20/1141045920.db2.gz MDZSLIKCJCVEMK-FTRWYGJKSA-N 2 1 341.499 3.865 20 0 EHADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269008676 1141045928 /nfs/dbraw/zinc/04/59/28/1141045928.db2.gz MDZSLIKCJCVEMK-FTRWYGJKSA-N 2 1 341.499 3.865 20 0 EHADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000269036965 1141052678 /nfs/dbraw/zinc/05/26/78/1141052678.db2.gz VRSCBPKZGBAAQV-ICSRJNTNSA-N 2 1 330.516 3.693 20 0 EHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000270695814 1141257913 /nfs/dbraw/zinc/25/79/13/1141257913.db2.gz WZAURUZOLFQVMD-VQTJNVASSA-N 2 1 330.516 3.834 20 0 EHADMP CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OCC ZINC000270986318 1141290693 /nfs/dbraw/zinc/29/06/93/1141290693.db2.gz HEILPRQBCFMDLJ-UHFFFAOYSA-N 2 1 331.460 3.511 20 0 EHADMP CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OCC ZINC000270986318 1141290698 /nfs/dbraw/zinc/29/06/98/1141290698.db2.gz HEILPRQBCFMDLJ-UHFFFAOYSA-N 2 1 331.460 3.511 20 0 EHADMP COc1ccccc1COC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000271345932 1141349375 /nfs/dbraw/zinc/34/93/75/1141349375.db2.gz GRXQOVJDDMTHKC-IBGZPJMESA-N 2 1 346.515 3.551 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520776 1141386684 /nfs/dbraw/zinc/38/66/84/1141386684.db2.gz PMKGWWNPXBKELU-YUXAGFNASA-N 2 1 338.495 3.671 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520776 1141386692 /nfs/dbraw/zinc/38/66/92/1141386692.db2.gz PMKGWWNPXBKELU-YUXAGFNASA-N 2 1 338.495 3.671 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000274180785 1141482921 /nfs/dbraw/zinc/48/29/21/1141482921.db2.gz FGHQWZQNJRRVAK-RXVVDRJESA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000274180785 1141482925 /nfs/dbraw/zinc/48/29/25/1141482925.db2.gz FGHQWZQNJRRVAK-RXVVDRJESA-N 2 1 330.516 3.693 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000339182401 1141520367 /nfs/dbraw/zinc/52/03/67/1141520367.db2.gz IQMBOEVTRDPGFO-MRXNPFEDSA-N 2 1 327.472 3.901 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000339182401 1141520372 /nfs/dbraw/zinc/52/03/72/1141520372.db2.gz IQMBOEVTRDPGFO-MRXNPFEDSA-N 2 1 327.472 3.901 20 0 EHADMP COc1ccc(F)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000339207696 1141528578 /nfs/dbraw/zinc/52/85/78/1141528578.db2.gz BLNVSELVAIRZDB-UHFFFAOYSA-N 2 1 330.447 3.964 20 0 EHADMP CCc1nocc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000339212952 1141529771 /nfs/dbraw/zinc/52/97/71/1141529771.db2.gz FIVUETZVWUUCRB-UHFFFAOYSA-N 2 1 327.472 3.903 20 0 EHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)ccn1 ZINC000348686251 1141566277 /nfs/dbraw/zinc/56/62/77/1141566277.db2.gz SCHFMPDCNGUMAF-BXWFABGCSA-N 2 1 331.504 3.784 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000049856228 214033909 /nfs/dbraw/zinc/03/39/09/214033909.db2.gz GWGSOGFGHKLCLT-BBRMVZONSA-N 2 1 325.294 3.974 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644536 213160815 /nfs/dbraw/zinc/16/08/15/213160815.db2.gz CALFKPXLIVFULZ-XJKSGUPXSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2ccccc2n1 ZINC000550886576 370700436 /nfs/dbraw/zinc/70/04/36/370700436.db2.gz IBZRVLSGJJRDBS-FGTMMUONSA-N 2 1 328.504 3.743 20 0 EHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc1 ZINC001164637883 719250933 /nfs/dbraw/zinc/25/09/33/719250933.db2.gz XCJBIJNAMXEZMU-YQVWRLOYSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc1 ZINC001164637883 719250935 /nfs/dbraw/zinc/25/09/35/719250935.db2.gz XCJBIJNAMXEZMU-YQVWRLOYSA-N 2 1 330.520 3.547 20 0 EHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC001164637883 719250940 /nfs/dbraw/zinc/25/09/40/719250940.db2.gz XCJBIJNAMXEZMU-YQVWRLOYSA-N 2 1 330.520 3.547 20 0 EHADMP c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000537968255 1032068845 /nfs/dbraw/zinc/06/88/45/1032068845.db2.gz YAYXVAIISUTVMR-LEWJYISDSA-N 2 1 342.527 3.947 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386439 1125478915 /nfs/dbraw/zinc/47/89/15/1125478915.db2.gz NZUGPZGTKVBAJK-YKCBXCCJSA-N 2 1 349.950 3.795 20 0 EHADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000537973343 1032075161 /nfs/dbraw/zinc/07/51/61/1032075161.db2.gz HCUKFMJGYTVELZ-DENIHFKCSA-N 2 1 338.495 3.874 20 0 EHADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000537973343 1032075173 /nfs/dbraw/zinc/07/51/73/1032075173.db2.gz HCUKFMJGYTVELZ-DENIHFKCSA-N 2 1 338.495 3.874 20 0 EHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423339859 1028374809 /nfs/dbraw/zinc/37/48/09/1028374809.db2.gz ZUCAHHCNNZQGPP-XXLQHYSLSA-N 2 1 341.318 3.559 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414757937 1028583971 /nfs/dbraw/zinc/58/39/71/1028583971.db2.gz MCJRCUOGQRICGR-MGPQQGTHSA-N 2 1 325.294 3.830 20 0 EHADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1)C1CC1 ZINC000339391377 1014325073 /nfs/dbraw/zinc/32/50/73/1014325073.db2.gz BERBWJFTUUENQL-KRWDZBQOSA-N 2 1 328.460 3.767 20 0 EHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H]1C ZINC000449024883 1032096988 /nfs/dbraw/zinc/09/69/88/1032096988.db2.gz AAJAANCCXNRBOC-DNVCBOLYSA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H]1C ZINC000449024883 1032097002 /nfs/dbraw/zinc/09/70/02/1032097002.db2.gz AAJAANCCXNRBOC-DNVCBOLYSA-N 2 1 344.478 3.531 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H]1C ZINC000449024883 1032097011 /nfs/dbraw/zinc/09/70/11/1032097011.db2.gz AAJAANCCXNRBOC-DNVCBOLYSA-N 2 1 344.478 3.531 20 0 EHADMP C[C@@H]1CSCC[NH+]1Cc1cccc(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000343732943 1032101213 /nfs/dbraw/zinc/10/12/13/1032101213.db2.gz CPLAPLLOGUPYBN-HZPDHXFCSA-N 2 1 336.570 3.561 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606396 1015058855 /nfs/dbraw/zinc/05/88/55/1015058855.db2.gz FTEAZDBRHZLFCD-HKUYNNGSSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606396 1015058863 /nfs/dbraw/zinc/05/88/63/1015058863.db2.gz FTEAZDBRHZLFCD-HKUYNNGSSA-N 2 1 336.907 3.663 20 0 EHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606396 1015058874 /nfs/dbraw/zinc/05/88/74/1015058874.db2.gz FTEAZDBRHZLFCD-HKUYNNGSSA-N 2 1 336.907 3.663 20 0 EHADMP C[C@H]([NH2+]CCC[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274794738 1015169554 /nfs/dbraw/zinc/16/95/54/1015169554.db2.gz SPJWCCZGMMPTBY-TYPHKJRUSA-N 2 1 330.516 3.836 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H]1SC ZINC000459429877 1032117125 /nfs/dbraw/zinc/11/71/25/1032117125.db2.gz ILLXOECIQAOHIO-VUKOWNLVSA-N 2 1 345.512 3.740 20 0 EHADMP CCc1nc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274882433 1015566922 /nfs/dbraw/zinc/56/69/22/1015566922.db2.gz HVEYJGBEAVPTNF-AEFFLSMTSA-N 2 1 343.540 3.748 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000154687975 1015768361 /nfs/dbraw/zinc/76/83/61/1015768361.db2.gz AQDNZPAKASEEAU-SPYBWZPUSA-N 2 1 343.446 3.831 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000154688098 1015768449 /nfs/dbraw/zinc/76/84/49/1015768449.db2.gz AQDNZPAKASEEAU-ZRGWGRIASA-N 2 1 343.446 3.831 20 0 EHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000610250487 1016252974 /nfs/dbraw/zinc/25/29/74/1016252974.db2.gz SZKAJJHXDUYAGQ-QFBILLFUSA-N 2 1 335.923 3.501 20 0 EHADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000387498026 1016254383 /nfs/dbraw/zinc/25/43/83/1016254383.db2.gz XHKGSCOBGUPXBI-NJDAHSKKSA-N 2 1 341.543 3.551 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000387498026 1016254392 /nfs/dbraw/zinc/25/43/92/1016254392.db2.gz XHKGSCOBGUPXBI-NJDAHSKKSA-N 2 1 341.543 3.551 20 0 EHADMP Cc1ccc2c(C)cc(NC3CC[NH+](CCOC(C)C)CC3)[nH+]c2c1 ZINC000460949986 1032147187 /nfs/dbraw/zinc/14/71/87/1032147187.db2.gz OEAZRHILUQNEMP-UHFFFAOYSA-N 2 1 341.499 3.575 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000579891399 1016491625 /nfs/dbraw/zinc/49/16/25/1016491625.db2.gz PQSIKRAVMRSSMG-TXCZRRACSA-N 2 1 328.422 3.726 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275362925 1016565907 /nfs/dbraw/zinc/56/59/07/1016565907.db2.gz BFULWZJHQAJPED-UKRRQHHQSA-N 2 1 337.389 3.685 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000536696377 1032152352 /nfs/dbraw/zinc/15/23/52/1032152352.db2.gz VLBZMMWKMVFZTA-NRFANRHFSA-N 2 1 345.575 3.808 20 0 EHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000340335190 1016958490 /nfs/dbraw/zinc/95/84/90/1016958490.db2.gz URWNLTSCJWOZBX-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000340335190 1016958510 /nfs/dbraw/zinc/95/85/10/1016958510.db2.gz URWNLTSCJWOZBX-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP CCO[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000547828096 1016976286 /nfs/dbraw/zinc/97/62/86/1016976286.db2.gz AMNHUKZMUCLXOV-CEWLAPEOSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449072685 1032160278 /nfs/dbraw/zinc/16/02/78/1032160278.db2.gz GFZQRYKLZCAQCZ-STQMWFEESA-N 2 1 343.298 3.835 20 0 EHADMP CC1(C)Cc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2O1 ZINC000536698487 1032156604 /nfs/dbraw/zinc/15/66/04/1032156604.db2.gz RFWNPFGZMYNAGN-KRWDZBQOSA-N 2 1 328.500 3.708 20 0 EHADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2O1 ZINC000536698487 1032156616 /nfs/dbraw/zinc/15/66/16/1032156616.db2.gz RFWNPFGZMYNAGN-KRWDZBQOSA-N 2 1 328.500 3.708 20 0 EHADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643261 1032218701 /nfs/dbraw/zinc/21/87/01/1032218701.db2.gz FRNHYTJPPYKVEG-IIPCHUTBSA-N 2 1 335.495 3.774 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000379638717 1032230830 /nfs/dbraw/zinc/23/08/30/1032230830.db2.gz AKUDKRYQWQYUDZ-QMMLZNLJSA-N 2 1 336.479 3.633 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000379638717 1032230841 /nfs/dbraw/zinc/23/08/41/1032230841.db2.gz AKUDKRYQWQYUDZ-QMMLZNLJSA-N 2 1 336.479 3.633 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000449204312 1032306817 /nfs/dbraw/zinc/30/68/17/1032306817.db2.gz JOMFFYFBDQQGLP-CQSZACIVSA-N 2 1 338.458 3.569 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000905075069 1032343787 /nfs/dbraw/zinc/34/37/87/1032343787.db2.gz IQBXOYPECYITPD-FXAWDEMLSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000905075069 1032343795 /nfs/dbraw/zinc/34/37/95/1032343795.db2.gz IQBXOYPECYITPD-FXAWDEMLSA-N 2 1 344.524 3.592 20 0 EHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000538407751 1032351333 /nfs/dbraw/zinc/35/13/33/1032351333.db2.gz JQSQYBNDJZSTEY-QGZVFWFLSA-N 2 1 335.289 3.752 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000536883427 1032388435 /nfs/dbraw/zinc/38/84/35/1032388435.db2.gz WKKBJWTXIOUFQR-TXPKVOOTSA-N 2 1 346.515 3.835 20 0 EHADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000536883427 1032388448 /nfs/dbraw/zinc/38/84/48/1032388448.db2.gz WKKBJWTXIOUFQR-TXPKVOOTSA-N 2 1 346.515 3.835 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000398007974 1032430184 /nfs/dbraw/zinc/43/01/84/1032430184.db2.gz AABPGAQZBAXRNU-NPFVIJTESA-N 2 1 335.495 3.756 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000398007974 1032430189 /nfs/dbraw/zinc/43/01/89/1032430189.db2.gz AABPGAQZBAXRNU-NPFVIJTESA-N 2 1 335.495 3.756 20 0 EHADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449317116 1032450673 /nfs/dbraw/zinc/45/06/73/1032450673.db2.gz BAWCRDYIXDUPMD-UGKGYDQZSA-N 2 1 343.559 3.546 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784035 1032466828 /nfs/dbraw/zinc/46/68/28/1032466828.db2.gz NXLGNRBVOCFTAY-SJLPKXTDSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459784035 1032466838 /nfs/dbraw/zinc/46/68/38/1032466838.db2.gz NXLGNRBVOCFTAY-SJLPKXTDSA-N 3 1 326.488 3.563 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459784035 1032466848 /nfs/dbraw/zinc/46/68/48/1032466848.db2.gz NXLGNRBVOCFTAY-SJLPKXTDSA-N 3 1 326.488 3.563 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024585 1032488912 /nfs/dbraw/zinc/48/89/12/1032488912.db2.gz QUJVQKOMLFZVEN-FXAWDEMLSA-N 2 1 339.483 3.796 20 0 EHADMP CC1(C)C[N@H+](Cc2cocn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413967 1032517389 /nfs/dbraw/zinc/51/73/89/1032517389.db2.gz KTMCBDLZWSZMJE-HXUWFJFHSA-N 2 1 339.483 3.797 20 0 EHADMP CC1(C)C[N@@H+](Cc2cocn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413967 1032517393 /nfs/dbraw/zinc/51/73/93/1032517393.db2.gz KTMCBDLZWSZMJE-HXUWFJFHSA-N 2 1 339.483 3.797 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449436194 1032581002 /nfs/dbraw/zinc/58/10/02/1032581002.db2.gz GQCIZXKLMCLTPH-KRWDZBQOSA-N 2 1 344.421 3.591 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246050959 1032643283 /nfs/dbraw/zinc/64/32/83/1032643283.db2.gz YBVUYWBDMMXVJH-HZPDHXFCSA-N 2 1 326.488 3.801 20 0 EHADMP CC[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000414639137 1017089554 /nfs/dbraw/zinc/08/95/54/1017089554.db2.gz DZTNHMXYSGCMAY-GOSISDBHSA-N 2 1 336.439 3.778 20 0 EHADMP CC[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000414639137 1017089568 /nfs/dbraw/zinc/08/95/68/1017089568.db2.gz DZTNHMXYSGCMAY-GOSISDBHSA-N 2 1 336.439 3.778 20 0 EHADMP c1sc2ccccc2c1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655701189 1017409622 /nfs/dbraw/zinc/40/96/22/1017409622.db2.gz AYEABOKBPKLEJO-SFHVURJKSA-N 2 1 344.524 3.677 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@H]2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698046 1017413967 /nfs/dbraw/zinc/41/39/67/1017413967.db2.gz VBWFBOGFHGBRFP-IEBWSBKVSA-N 2 1 346.515 3.835 20 0 EHADMP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698046 1017413973 /nfs/dbraw/zinc/41/39/73/1017413973.db2.gz VBWFBOGFHGBRFP-IEBWSBKVSA-N 2 1 346.515 3.835 20 0 EHADMP Cc1nc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000377200453 1017430439 /nfs/dbraw/zinc/43/04/39/1017430439.db2.gz YMDIJOBWAJQFJC-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000377200453 1017430448 /nfs/dbraw/zinc/43/04/48/1017430448.db2.gz YMDIJOBWAJQFJC-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000377200453 1017430457 /nfs/dbraw/zinc/43/04/57/1017430457.db2.gz YMDIJOBWAJQFJC-UHFFFAOYSA-N 2 1 339.483 3.780 20 0 EHADMP Clc1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)c1 ZINC000415040439 1017443049 /nfs/dbraw/zinc/44/30/49/1017443049.db2.gz OHYXEVVSTNNBNL-HNNXBMFYSA-N 2 1 336.888 3.537 20 0 EHADMP CC(C)c1ccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655716653 1017448435 /nfs/dbraw/zinc/44/84/35/1017448435.db2.gz WEVUINHSPYXHDW-QFIPXVFZSA-N 2 1 344.543 3.976 20 0 EHADMP CCC[C@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044098 1017452930 /nfs/dbraw/zinc/45/29/30/1017452930.db2.gz AFTYUMFAOOECQY-ITAUSPCMSA-N 2 1 343.559 3.594 20 0 EHADMP Clc1ccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655725234 1017468711 /nfs/dbraw/zinc/46/87/11/1017468711.db2.gz OSCSJOPFIQAJRF-LJQANCHMSA-N 2 1 336.907 3.506 20 0 EHADMP CC(C)(CCCc1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655729368 1017482339 /nfs/dbraw/zinc/48/23/39/1017482339.db2.gz FWXKBAHANGDWKM-NRFANRHFSA-N 2 1 344.543 3.878 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000564782291 1017506095 /nfs/dbraw/zinc/50/60/95/1017506095.db2.gz BOEBUKAADCWMBH-KGLIPLIRSA-N 2 1 340.309 3.617 20 0 EHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071927 1017514178 /nfs/dbraw/zinc/51/41/78/1017514178.db2.gz XBNOUZWKMFJHJS-ZBEGNZNMSA-N 2 1 343.284 3.626 20 0 EHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415111523 1017557284 /nfs/dbraw/zinc/55/72/84/1017557284.db2.gz RBMIQCHFVOHVNU-LPHOPBHVSA-N 2 1 343.515 3.826 20 0 EHADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655764048 1017560814 /nfs/dbraw/zinc/56/08/14/1017560814.db2.gz VGJCGXNSKUROOB-CTNGQTDRSA-N 2 1 342.527 3.933 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000415127815 1017593072 /nfs/dbraw/zinc/59/30/72/1017593072.db2.gz RPVHFIHTUDMPMD-UHFFFAOYSA-N 2 1 339.199 3.509 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000415127815 1017593086 /nfs/dbraw/zinc/59/30/86/1017593086.db2.gz RPVHFIHTUDMPMD-UHFFFAOYSA-N 2 1 339.199 3.509 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655839808 1017745662 /nfs/dbraw/zinc/74/56/62/1017745662.db2.gz WNQPLYJIDLWNGG-VBSBHUPXSA-N 2 1 330.516 3.833 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655848512 1017763817 /nfs/dbraw/zinc/76/38/17/1017763817.db2.gz HDMJRABWJOPENE-NDXORKPFSA-N 2 1 338.499 3.848 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)c1 ZINC000892939213 1017791867 /nfs/dbraw/zinc/79/18/67/1017791867.db2.gz WPAFPCYFGMAOSE-UHFFFAOYSA-N 2 1 340.467 3.523 20 0 EHADMP COc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167320987 1018000929 /nfs/dbraw/zinc/00/09/29/1018000929.db2.gz BIOKJSOHSAJCHU-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP COc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167320987 1018000942 /nfs/dbraw/zinc/00/09/42/1018000942.db2.gz BIOKJSOHSAJCHU-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001167326936 1018092851 /nfs/dbraw/zinc/09/28/51/1018092851.db2.gz YHLBUJXTCIZQNQ-URVUXULASA-N 2 1 344.543 3.739 20 0 EHADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340500301 1018154383 /nfs/dbraw/zinc/15/43/83/1018154383.db2.gz RDKRYZDLWINFQS-WIYYLYMNSA-N 2 1 336.479 3.881 20 0 EHADMP Cc1nc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)sc1C ZINC000893017938 1018172424 /nfs/dbraw/zinc/17/24/24/1018172424.db2.gz BEMOIQVRYHQWKO-RHSMWYFYSA-N 2 1 335.542 3.994 20 0 EHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000377679008 1018177302 /nfs/dbraw/zinc/17/73/02/1018177302.db2.gz TWHKZHMJACJPNJ-UHFFFAOYSA-N 2 1 342.418 3.742 20 0 EHADMP Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C2CC2)n1 ZINC000893019764 1018179875 /nfs/dbraw/zinc/17/98/75/1018179875.db2.gz MURMRURDGYQJEX-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C2CC2)n1 ZINC000893019764 1018179883 /nfs/dbraw/zinc/17/98/83/1018179883.db2.gz MURMRURDGYQJEX-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C2CC2)n1 ZINC000893019764 1018179892 /nfs/dbraw/zinc/17/98/92/1018179892.db2.gz MURMRURDGYQJEX-BEFAXECRSA-N 2 1 344.528 3.532 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000377681128 1018182368 /nfs/dbraw/zinc/18/23/68/1018182368.db2.gz VWAQUNLZGKJWPS-HXUWFJFHSA-N 2 1 339.483 3.656 20 0 EHADMP COc1ccc2c(c1)C1(CC1)C[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000377721226 1018268873 /nfs/dbraw/zinc/26/88/73/1018268873.db2.gz MDHFFZJGQFKELL-UHFFFAOYSA-N 2 1 325.456 3.528 20 0 EHADMP COc1ccc2c(c1)C1(CC1)C[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000377721226 1018268879 /nfs/dbraw/zinc/26/88/79/1018268879.db2.gz MDHFFZJGQFKELL-UHFFFAOYSA-N 2 1 325.456 3.528 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cc1 ZINC000377751445 1018319664 /nfs/dbraw/zinc/31/96/64/1018319664.db2.gz XQFKMEOVHNLFFI-IRXDYDNUSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)s2)cc1 ZINC000377751445 1018319679 /nfs/dbraw/zinc/31/96/79/1018319679.db2.gz XQFKMEOVHNLFFI-IRXDYDNUSA-N 2 1 327.497 3.835 20 0 EHADMP C[C@H]1C[C@@H](NCc2cn3ccnc3s2)CC[N@H+]1Cc1ccccc1 ZINC000893097920 1018460664 /nfs/dbraw/zinc/46/06/64/1018460664.db2.gz ACSQIRVNYYYJHS-RDJZCZTQSA-N 2 1 340.496 3.539 20 0 EHADMP [NH3+]CCC1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000706470947 1018685608 /nfs/dbraw/zinc/68/56/08/1018685608.db2.gz BUBGNYAJQGKHHE-UHFFFAOYSA-N 2 1 331.685 3.663 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000706465588 1018689653 /nfs/dbraw/zinc/68/96/53/1018689653.db2.gz KYLIVZBULZWGHF-GFCCVEGCSA-N 2 1 345.712 3.924 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000706465588 1018689659 /nfs/dbraw/zinc/68/96/59/1018689659.db2.gz KYLIVZBULZWGHF-GFCCVEGCSA-N 2 1 345.712 3.924 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CCCCC2)cc1 ZINC000325824984 1018930241 /nfs/dbraw/zinc/93/02/41/1018930241.db2.gz NQDVHQSGDVFACK-NJYVYQBISA-N 2 1 328.500 3.761 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CCCCC2)cc1 ZINC000325824984 1018930257 /nfs/dbraw/zinc/93/02/57/1018930257.db2.gz NQDVHQSGDVFACK-NJYVYQBISA-N 2 1 328.500 3.761 20 0 EHADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000576398523 1018930574 /nfs/dbraw/zinc/93/05/74/1018930574.db2.gz NZRWSPXFJVWMTR-OAQYLSRUSA-N 2 1 343.559 3.892 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000708558126 1032825445 /nfs/dbraw/zinc/82/54/45/1032825445.db2.gz COOZWIQQSCXIDZ-VQIMIIECSA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000708558126 1032825465 /nfs/dbraw/zinc/82/54/65/1032825465.db2.gz COOZWIQQSCXIDZ-VQIMIIECSA-N 2 1 342.458 3.692 20 0 EHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)c(F)c1 ZINC000539508431 1019379368 /nfs/dbraw/zinc/37/93/68/1019379368.db2.gz LYNRWAHPGMZRQS-LLVKDONJSA-N 2 1 327.241 3.501 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513223543 1019440123 /nfs/dbraw/zinc/44/01/23/1019440123.db2.gz NAQJQAOKYQFDBE-ICSRJNTNSA-N 2 1 332.532 3.960 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513223543 1019440132 /nfs/dbraw/zinc/44/01/32/1019440132.db2.gz NAQJQAOKYQFDBE-ICSRJNTNSA-N 2 1 332.532 3.960 20 0 EHADMP COC1(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319507259 1019447495 /nfs/dbraw/zinc/44/74/95/1019447495.db2.gz WZNLOIZQHDRQKT-FQEVSTJZSA-N 2 1 330.516 3.838 20 0 EHADMP C[N@H+](Cc1cnc2ccccn12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203155125 1019536909 /nfs/dbraw/zinc/53/69/09/1019536909.db2.gz MUGRFEUMJZFZCA-UHFFFAOYSA-N 2 1 348.494 3.678 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513332316 1019549174 /nfs/dbraw/zinc/54/91/74/1019549174.db2.gz ZLLDLLJFZNWJPG-CTNGQTDRSA-N 2 1 344.543 3.962 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513332316 1019549193 /nfs/dbraw/zinc/54/91/93/1019549193.db2.gz ZLLDLLJFZNWJPG-CTNGQTDRSA-N 2 1 344.543 3.962 20 0 EHADMP COc1ccsc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000580607138 1019738959 /nfs/dbraw/zinc/73/89/59/1019738959.db2.gz GGXCIMJLGLVHFS-QZTJIDSGSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000580607138 1019738976 /nfs/dbraw/zinc/73/89/76/1019738976.db2.gz GGXCIMJLGLVHFS-QZTJIDSGSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000580607138 1019738992 /nfs/dbraw/zinc/73/89/92/1019738992.db2.gz GGXCIMJLGLVHFS-QZTJIDSGSA-N 2 1 342.508 3.711 20 0 EHADMP COc1ccsc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000580607138 1019739008 /nfs/dbraw/zinc/73/90/08/1019739008.db2.gz GGXCIMJLGLVHFS-QZTJIDSGSA-N 2 1 342.508 3.711 20 0 EHADMP CC(C)n1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513512053 1019775635 /nfs/dbraw/zinc/77/56/35/1019775635.db2.gz MVHVOGTXQWYCFS-ICSRJNTNSA-N 2 1 340.515 3.854 20 0 EHADMP CC(C)n1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513512056 1019776012 /nfs/dbraw/zinc/77/60/12/1019776012.db2.gz MVHVOGTXQWYCFS-UYAOXDASSA-N 2 1 340.515 3.854 20 0 EHADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000280028914 1019994567 /nfs/dbraw/zinc/99/45/67/1019994567.db2.gz UMVDZEPXDJYFSY-UHFFFAOYSA-N 2 1 326.488 3.533 20 0 EHADMP CC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345188303 1020042280 /nfs/dbraw/zinc/04/22/80/1020042280.db2.gz JXYHIKOUIJTFNW-OAHLLOKOSA-N 2 1 330.394 3.548 20 0 EHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000280400878 1020363601 /nfs/dbraw/zinc/36/36/01/1020363601.db2.gz XQZDXVXKMYDKCN-UONOGXRCSA-N 2 1 326.406 3.710 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345693824 1020436413 /nfs/dbraw/zinc/43/64/13/1020436413.db2.gz NKFZNDCOADBDHD-LJQANCHMSA-N 2 1 336.907 3.882 20 0 EHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510375717 1020625921 /nfs/dbraw/zinc/62/59/21/1020625921.db2.gz JJAZBUDPHUQNIC-AZUAARDMSA-N 2 1 334.479 3.636 20 0 EHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593115 1020844276 /nfs/dbraw/zinc/84/42/76/1020844276.db2.gz DEYPBJZGGMAEFD-RXVVDRJESA-N 2 1 338.495 3.852 20 0 EHADMP COc1cccc(C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000341193249 1021074186 /nfs/dbraw/zinc/07/41/86/1021074186.db2.gz RQRCPDASHPXQME-QGZVFWFLSA-N 2 1 341.499 3.651 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426320974 1021257801 /nfs/dbraw/zinc/25/78/01/1021257801.db2.gz AHDLTQZCMXKFQJ-INIZCTEOSA-N 2 1 337.305 3.756 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426327689 1021271546 /nfs/dbraw/zinc/27/15/46/1021271546.db2.gz VNWTYNCFDBBYDI-INIZCTEOSA-N 2 1 337.305 3.756 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785984 1021334936 /nfs/dbraw/zinc/33/49/36/1021334936.db2.gz OVHOXOMBZXOFMF-KRWDZBQOSA-N 2 1 327.447 3.586 20 0 EHADMP C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH2+]CC1 ZINC000430637920 1021466223 /nfs/dbraw/zinc/46/62/23/1021466223.db2.gz DPNLFRKZHASTRE-UHFFFAOYSA-N 2 1 328.431 3.589 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894858937 1021494449 /nfs/dbraw/zinc/49/44/49/1021494449.db2.gz AWLLHNQXRHPBIW-KRWDZBQOSA-N 2 1 335.904 3.867 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1O ZINC000426406217 1021496586 /nfs/dbraw/zinc/49/65/86/1021496586.db2.gz OQZRYRJBMRYEAM-BBWFWOEESA-N 2 1 334.504 3.574 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)cc1O ZINC000426406217 1021496597 /nfs/dbraw/zinc/49/65/97/1021496597.db2.gz OQZRYRJBMRYEAM-BBWFWOEESA-N 2 1 334.504 3.574 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC[N@H+]1C ZINC000187992095 1021553735 /nfs/dbraw/zinc/55/37/35/1021553735.db2.gz OXBKZDWMZAFWGE-WBMJQRKESA-N 2 1 344.396 3.948 20 0 EHADMP CC(CC[NH+](C)Cc1ccns1)CC[N@@H+](C)Cc1ccns1 ZINC000639806791 1021654236 /nfs/dbraw/zinc/65/42/36/1021654236.db2.gz GSHVDWUDICGISY-UHFFFAOYSA-N 2 1 338.546 3.580 20 0 EHADMP COC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C)o1 ZINC000156372338 1021667060 /nfs/dbraw/zinc/66/70/60/1021667060.db2.gz ZANDSCWHWFVWOS-APWZRJJASA-N 2 1 346.471 3.567 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000440704644 1021725629 /nfs/dbraw/zinc/72/56/29/1021725629.db2.gz OGPMJJLUOWAXID-PBHICJAKSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000440704644 1021725641 /nfs/dbraw/zinc/72/56/41/1021725641.db2.gz OGPMJJLUOWAXID-PBHICJAKSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000440704644 1021725651 /nfs/dbraw/zinc/72/56/51/1021725651.db2.gz OGPMJJLUOWAXID-PBHICJAKSA-N 2 1 344.421 3.790 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969893 1021902243 /nfs/dbraw/zinc/90/22/43/1021902243.db2.gz KWVQENYCRQGRDJ-NJDAHSKKSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969893 1021902253 /nfs/dbraw/zinc/90/22/53/1021902253.db2.gz KWVQENYCRQGRDJ-NJDAHSKKSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192021 1022145844 /nfs/dbraw/zinc/14/58/44/1022145844.db2.gz MFIROPYTIYTJQL-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647192021 1022145856 /nfs/dbraw/zinc/14/58/56/1022145856.db2.gz MFIROPYTIYTJQL-HOJAQTOUSA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@](C)(C[NH3+])C1 ZINC001167967089 1022174352 /nfs/dbraw/zinc/17/43/52/1022174352.db2.gz BBOYTNBJICHIFM-ISHSYCIMSA-N 3 1 333.564 3.525 20 0 EHADMP C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574313684 1033037347 /nfs/dbraw/zinc/03/73/47/1033037347.db2.gz UEOIYKKQYFGWFE-IEBWSBKVSA-N 2 1 346.515 3.609 20 0 EHADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441406693 1022235520 /nfs/dbraw/zinc/23/55/20/1022235520.db2.gz YVVWTMONFVIFAD-QUCCMNQESA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406693 1022235533 /nfs/dbraw/zinc/23/55/33/1022235533.db2.gz YVVWTMONFVIFAD-QUCCMNQESA-N 2 1 328.500 3.631 20 0 EHADMP Cc1cccc(C)c1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441406693 1022235553 /nfs/dbraw/zinc/23/55/53/1022235553.db2.gz YVVWTMONFVIFAD-QUCCMNQESA-N 2 1 328.500 3.631 20 0 EHADMP C[N@@H+](CCOc1cccc(C[NH2+]CCC(C)(C)C)c1)C1CCOCC1 ZINC000187810308 1022250921 /nfs/dbraw/zinc/25/09/21/1022250921.db2.gz WTCMHAKCDMJWDV-UHFFFAOYSA-N 2 1 348.531 3.702 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321987 1033039553 /nfs/dbraw/zinc/03/95/53/1033039553.db2.gz MZPNVHPVTAACBM-GOEBONIOSA-N 2 1 326.406 3.972 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000574321987 1033039560 /nfs/dbraw/zinc/03/95/60/1033039560.db2.gz MZPNVHPVTAACBM-GOEBONIOSA-N 2 1 326.406 3.972 20 0 EHADMP COc1cccc2c1CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000425948712 1022385849 /nfs/dbraw/zinc/38/58/49/1022385849.db2.gz DUUSYSZYTUBJLD-PKOBYXMFSA-N 2 1 330.516 3.797 20 0 EHADMP CC(C)n1ccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471833554 1022477145 /nfs/dbraw/zinc/47/71/45/1022477145.db2.gz CUUIXEWBPFYXCI-UXHICEINSA-N 2 1 340.515 3.636 20 0 EHADMP CC(C)n1ccnc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471833554 1022477160 /nfs/dbraw/zinc/47/71/60/1022477160.db2.gz CUUIXEWBPFYXCI-UXHICEINSA-N 2 1 340.515 3.636 20 0 EHADMP Fc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974326 1022509657 /nfs/dbraw/zinc/50/96/57/1022509657.db2.gz WDOPECUWAQURBG-YQQQUEKLSA-N 2 1 332.463 3.590 20 0 EHADMP Oc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562728 1022553115 /nfs/dbraw/zinc/55/31/15/1022553115.db2.gz YDKITRUJSZKQSU-WJMWBRGCSA-N 2 1 348.490 3.502 20 0 EHADMP CCc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471863124 1022691515 /nfs/dbraw/zinc/69/15/15/1022691515.db2.gz UUDGOJPRCVXOHA-WIYYLYMNSA-N 2 1 341.499 3.718 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Br)s3)C2)CC1 ZINC000550200617 1022719204 /nfs/dbraw/zinc/71/92/04/1022719204.db2.gz PTPUHMUJXGSSTH-ZDUSSCGKSA-N 2 1 343.334 3.674 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414934878 1022796831 /nfs/dbraw/zinc/79/68/31/1022796831.db2.gz VMZOBNUZJAZTCS-LPHOPBHVSA-N 2 1 345.531 3.895 20 0 EHADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441455551 1022900165 /nfs/dbraw/zinc/90/01/65/1022900165.db2.gz DPEVKBAXDQGVAM-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441455551 1022900183 /nfs/dbraw/zinc/90/01/83/1022900183.db2.gz DPEVKBAXDQGVAM-LJQANCHMSA-N 2 1 346.515 3.662 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCc1ccccc1 ZINC000414941992 1022933633 /nfs/dbraw/zinc/93/36/33/1022933633.db2.gz DFPQUHAPYGLFTL-QFBILLFUSA-N 2 1 340.467 3.504 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000506867616 1022958451 /nfs/dbraw/zinc/95/84/51/1022958451.db2.gz MPTKZQBBBMRHFN-UHFFFAOYSA-N 2 1 348.922 3.932 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000506867616 1022958458 /nfs/dbraw/zinc/95/84/58/1022958458.db2.gz MPTKZQBBBMRHFN-UHFFFAOYSA-N 2 1 348.922 3.932 20 0 EHADMP Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000414950664 1022987254 /nfs/dbraw/zinc/98/72/54/1022987254.db2.gz PCMVMWSUBZHQSI-SJLPKXTDSA-N 2 1 340.515 3.708 20 0 EHADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467144 1023007667 /nfs/dbraw/zinc/00/76/67/1023007667.db2.gz DBZUJYQUTHFWRL-SFTDATJTSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467144 1023007683 /nfs/dbraw/zinc/00/76/83/1023007683.db2.gz DBZUJYQUTHFWRL-SFTDATJTSA-N 2 1 346.478 3.517 20 0 EHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467144 1023007698 /nfs/dbraw/zinc/00/76/98/1023007698.db2.gz DBZUJYQUTHFWRL-SFTDATJTSA-N 2 1 346.478 3.517 20 0 EHADMP C[C@@H]1C[C@H](NC[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000414959177 1023065369 /nfs/dbraw/zinc/06/53/69/1023065369.db2.gz RXRVWJAEACQFAG-JMUQELJHSA-N 2 1 349.522 3.516 20 0 EHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000090113629 1023072773 /nfs/dbraw/zinc/07/27/73/1023072773.db2.gz RDSVVHQVOWBXGP-IEBWSBKVSA-N 2 1 348.556 3.541 20 0 EHADMP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506448178 1023166348 /nfs/dbraw/zinc/16/63/48/1023166348.db2.gz QVSPZJWCUDMBAB-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000506448178 1023166353 /nfs/dbraw/zinc/16/63/53/1023166353.db2.gz QVSPZJWCUDMBAB-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506448178 1023166358 /nfs/dbraw/zinc/16/63/58/1023166358.db2.gz QVSPZJWCUDMBAB-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP COc1ccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000506448178 1023166363 /nfs/dbraw/zinc/16/63/63/1023166363.db2.gz QVSPZJWCUDMBAB-RTBURBONSA-N 2 1 346.515 3.660 20 0 EHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000518265773 1023175195 /nfs/dbraw/zinc/17/51/95/1023175195.db2.gz BQKUHXWVFSTHJY-FLIBITNWSA-N 2 1 349.522 3.627 20 0 EHADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000090252149 1023257203 /nfs/dbraw/zinc/25/72/03/1023257203.db2.gz FYVBFFLZAXKPRA-JTQLQIEISA-N 2 1 331.685 3.662 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000341784385 1023310495 /nfs/dbraw/zinc/31/04/95/1023310495.db2.gz OVKAWUSCKRNLND-OAQYLSRUSA-N 2 1 330.516 3.888 20 0 EHADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000535806995 1023659762 /nfs/dbraw/zinc/65/97/62/1023659762.db2.gz PZYRZZQBRJCEFX-NJDAHSKKSA-N 2 1 330.516 3.569 20 0 EHADMP CCC(CC)(C[NH2+]CC1(OC)CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000277012251 1023699523 /nfs/dbraw/zinc/69/95/23/1023699523.db2.gz LJZYDEWJEQXTTH-SFHVURJKSA-N 2 1 348.531 3.681 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4[nH]cnc4c3)C2)CC1 ZINC000535827939 1023795880 /nfs/dbraw/zinc/79/58/80/1023795880.db2.gz QPJIRCJDVWARGI-SFHVURJKSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)CC1 ZINC000535827939 1023795886 /nfs/dbraw/zinc/79/58/86/1023795886.db2.gz QPJIRCJDVWARGI-SFHVURJKSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4nc[nH]c4c3)C2)CC1 ZINC000535827939 1023795894 /nfs/dbraw/zinc/79/58/94/1023795894.db2.gz QPJIRCJDVWARGI-SFHVURJKSA-N 2 1 326.488 3.507 20 0 EHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)CC1 ZINC000535827939 1023795900 /nfs/dbraw/zinc/79/59/00/1023795900.db2.gz QPJIRCJDVWARGI-SFHVURJKSA-N 2 1 326.488 3.507 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019215 1023987145 /nfs/dbraw/zinc/98/71/45/1023987145.db2.gz HMWXINQTQIGDOA-RMFSNUHRSA-N 2 1 341.543 3.644 20 0 EHADMP CC[N@@H+](Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002008 1024001062 /nfs/dbraw/zinc/00/10/62/1024001062.db2.gz BTLGTCZHMCBQCY-YOFSQIOKSA-N 2 1 328.500 3.923 20 0 EHADMP CC[NH+](Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002008 1024001078 /nfs/dbraw/zinc/00/10/78/1024001078.db2.gz BTLGTCZHMCBQCY-YOFSQIOKSA-N 2 1 328.500 3.923 20 0 EHADMP CC[NH+](Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002008 1024001088 /nfs/dbraw/zinc/00/10/88/1024001088.db2.gz BTLGTCZHMCBQCY-YOFSQIOKSA-N 2 1 328.500 3.923 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]21 ZINC000342101539 1024006034 /nfs/dbraw/zinc/00/60/34/1024006034.db2.gz LGOWEICUDNQEBJ-GBESFXJTSA-N 2 1 346.478 3.561 20 0 EHADMP Oc1cccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168004678 1024229292 /nfs/dbraw/zinc/22/92/92/1024229292.db2.gz XJBKSPIOFONBPL-WCRBZPEASA-N 2 1 340.511 3.977 20 0 EHADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692648 1024301887 /nfs/dbraw/zinc/30/18/87/1024301887.db2.gz YYVKBGQCRBSZCL-YLJYHZDGSA-N 2 1 345.531 3.994 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCCC(C)C ZINC000622854175 1024370711 /nfs/dbraw/zinc/37/07/11/1024370711.db2.gz VTFXUYVGCBRUNS-OALUTQOASA-N 2 1 346.515 3.837 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCCC(C)C ZINC000622854175 1024370722 /nfs/dbraw/zinc/37/07/22/1024370722.db2.gz VTFXUYVGCBRUNS-OALUTQOASA-N 2 1 346.515 3.837 20 0 EHADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CCCCC1 ZINC000414853514 1024420493 /nfs/dbraw/zinc/42/04/93/1024420493.db2.gz SSQVOLKNAVOJOB-OAQYLSRUSA-N 2 1 339.483 3.658 20 0 EHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377325 1024425507 /nfs/dbraw/zinc/42/55/07/1024425507.db2.gz DZQCBMYOEDRAIS-CRAIPNDOSA-N 2 1 344.528 3.757 20 0 EHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000895377325 1024425514 /nfs/dbraw/zinc/42/55/14/1024425514.db2.gz DZQCBMYOEDRAIS-CRAIPNDOSA-N 2 1 344.528 3.757 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3csc(Br)c3)C2)CC1 ZINC000550573579 1024429009 /nfs/dbraw/zinc/42/90/09/1024429009.db2.gz QTWBZIVXKXOFIE-AWEZNQCLSA-N 2 1 343.334 3.674 20 0 EHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000280893189 1024437513 /nfs/dbraw/zinc/43/75/13/1024437513.db2.gz NYCVAWDPXNJWPB-HOTGVXAUSA-N 2 1 345.487 3.771 20 0 EHADMP COc1cccc([C@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000346169825 1024484706 /nfs/dbraw/zinc/48/47/06/1024484706.db2.gz KMHAEUWIRWABLS-OAQYLSRUSA-N 2 1 348.450 3.921 20 0 EHADMP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCCC1 ZINC000414859551 1024518411 /nfs/dbraw/zinc/51/84/11/1024518411.db2.gz MYZYBRDFLOZKJI-PWRODBHTSA-N 2 1 341.543 3.538 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000280990120 1024531515 /nfs/dbraw/zinc/53/15/15/1024531515.db2.gz LUKJZXCTFVTEKS-QNGMFEMESA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000280990120 1024531521 /nfs/dbraw/zinc/53/15/21/1024531521.db2.gz LUKJZXCTFVTEKS-QNGMFEMESA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000280990120 1024531530 /nfs/dbraw/zinc/53/15/30/1024531530.db2.gz LUKJZXCTFVTEKS-QNGMFEMESA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000280990120 1024531536 /nfs/dbraw/zinc/53/15/36/1024531536.db2.gz LUKJZXCTFVTEKS-QNGMFEMESA-N 2 1 341.543 3.504 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000280990120 1024531544 /nfs/dbraw/zinc/53/15/44/1024531544.db2.gz LUKJZXCTFVTEKS-QNGMFEMESA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029645 1024551940 /nfs/dbraw/zinc/55/19/40/1024551940.db2.gz UGZPWPBXLZLXSQ-RXRQOCSWSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168029645 1024551950 /nfs/dbraw/zinc/55/19/50/1024551950.db2.gz UGZPWPBXLZLXSQ-RXRQOCSWSA-N 3 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029645 1024551960 /nfs/dbraw/zinc/55/19/60/1024551960.db2.gz UGZPWPBXLZLXSQ-RXRQOCSWSA-N 3 1 343.559 3.890 20 0 EHADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000262130355 1024566196 /nfs/dbraw/zinc/56/61/96/1024566196.db2.gz YBQQNSSQSJZZEC-IBGZPJMESA-N 2 1 348.450 3.575 20 0 EHADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008216 1024568357 /nfs/dbraw/zinc/56/83/57/1024568357.db2.gz DEOWSPIXUDPCAT-CEQLMSFQSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008216 1024568366 /nfs/dbraw/zinc/56/83/66/1024568366.db2.gz DEOWSPIXUDPCAT-CEQLMSFQSA-N 2 1 331.548 3.750 20 0 EHADMP CCCC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008216 1024568373 /nfs/dbraw/zinc/56/83/73/1024568373.db2.gz DEOWSPIXUDPCAT-CEQLMSFQSA-N 2 1 331.548 3.750 20 0 EHADMP CC[N@@H+](CC1CCC(OC)CC1)CC1CCN(c2ccccn2)CC1 ZINC000892088029 1024634009 /nfs/dbraw/zinc/63/40/09/1024634009.db2.gz BLSSIEUNWNJPJZ-UHFFFAOYSA-N 2 1 345.531 3.825 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000514693502 1024676224 /nfs/dbraw/zinc/67/62/24/1024676224.db2.gz OQNKFPKGRLMKHV-SJORKVTESA-N 2 1 325.500 3.654 20 0 EHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000895683811 1024733635 /nfs/dbraw/zinc/73/36/35/1024733635.db2.gz STWLPIVBNJLGNT-OAQYLSRUSA-N 2 1 346.515 3.552 20 0 EHADMP Fc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(F)c1F ZINC000657299918 1024749907 /nfs/dbraw/zinc/74/99/07/1024749907.db2.gz BYWIFMNBINIIOG-UHFFFAOYSA-N 2 1 334.385 3.990 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435378848 1024859951 /nfs/dbraw/zinc/85/99/51/1024859951.db2.gz KFAOFOFPWXQOBQ-BBRMVZONSA-N 2 1 346.906 3.702 20 0 EHADMP CSc1ccccc1C[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414868431 1024872214 /nfs/dbraw/zinc/87/22/14/1024872214.db2.gz ANBLWGOGCXSDBH-MRXNPFEDSA-N 2 1 329.513 3.504 20 0 EHADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033873 1024877659 /nfs/dbraw/zinc/87/76/59/1024877659.db2.gz MSERYKUBFFCACY-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033873 1024877667 /nfs/dbraw/zinc/87/76/67/1024877667.db2.gz MSERYKUBFFCACY-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033873 1024877675 /nfs/dbraw/zinc/87/76/75/1024877675.db2.gz MSERYKUBFFCACY-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCN(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033873 1024877682 /nfs/dbraw/zinc/87/76/82/1024877682.db2.gz MSERYKUBFFCACY-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCN(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033873 1024877693 /nfs/dbraw/zinc/87/76/93/1024877693.db2.gz MSERYKUBFFCACY-KOUHRCEDSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000435421863 1024908285 /nfs/dbraw/zinc/90/82/85/1024908285.db2.gz LDWGPFDLTYRGLV-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP Cc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000435421863 1024908297 /nfs/dbraw/zinc/90/82/97/1024908297.db2.gz LDWGPFDLTYRGLV-GOSISDBHSA-N 2 1 341.524 3.904 20 0 EHADMP COc1ccccc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420318 1024909015 /nfs/dbraw/zinc/90/90/15/1024909015.db2.gz COSRMYMNPBOATP-IBGZPJMESA-N 2 1 342.508 3.901 20 0 EHADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427165 1024915556 /nfs/dbraw/zinc/91/55/56/1024915556.db2.gz LROBOSGTNFXZTR-LJQANCHMSA-N 2 1 342.508 3.901 20 0 EHADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427164 1024916740 /nfs/dbraw/zinc/91/67/40/1024916740.db2.gz LROBOSGTNFXZTR-IBGZPJMESA-N 2 1 342.508 3.901 20 0 EHADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039243 1024942676 /nfs/dbraw/zinc/94/26/76/1024942676.db2.gz CTOZPTDBZNGOHE-RHSMWYFYSA-N 2 1 342.405 3.548 20 0 EHADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428039245 1024943336 /nfs/dbraw/zinc/94/33/36/1024943336.db2.gz CTOZPTDBZNGOHE-YOEHRIQHSA-N 2 1 342.405 3.548 20 0 EHADMP CCCOc1c(Cl)cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346650590 1024963247 /nfs/dbraw/zinc/96/32/47/1024963247.db2.gz CTZMJJVSXZGBRQ-UHFFFAOYSA-N 2 1 328.884 3.554 20 0 EHADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428242449 1025153471 /nfs/dbraw/zinc/15/34/71/1025153471.db2.gz SRWDSCYLZSUPLP-GXRSIYKFSA-N 2 1 344.543 3.674 20 0 EHADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000897996350 1033265554 /nfs/dbraw/zinc/26/55/54/1033265554.db2.gz ZZYNIASYORDLOF-UYAOXDASSA-N 2 1 345.531 3.710 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3scnc3C)cc2)C1 ZINC000657325652 1025187129 /nfs/dbraw/zinc/18/71/29/1025187129.db2.gz PAYONWMRKVPUFT-KRWDZBQOSA-N 2 1 329.513 3.940 20 0 EHADMP Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000116396421 1025267299 /nfs/dbraw/zinc/26/72/99/1025267299.db2.gz ZMOSDOLIBKUWBF-SJLPKXTDSA-N 2 1 333.520 3.586 20 0 EHADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000453329834 1025350375 /nfs/dbraw/zinc/35/03/75/1025350375.db2.gz WKRLGTMQTYPQHN-BHDDXSALSA-N 2 1 338.495 3.973 20 0 EHADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000453329834 1025350390 /nfs/dbraw/zinc/35/03/90/1025350390.db2.gz WKRLGTMQTYPQHN-BHDDXSALSA-N 2 1 338.495 3.973 20 0 EHADMP C[NH+](Cc1cccnc1)Cc1cccc(C[N@@H+](C)Cc2cccnc2)c1 ZINC000158065837 1025365984 /nfs/dbraw/zinc/36/59/84/1025365984.db2.gz JWVMCUODBMCBEF-UHFFFAOYSA-N 2 1 346.478 3.741 20 0 EHADMP C[C@@H]1CC([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041297 1025399638 /nfs/dbraw/zinc/39/96/38/1025399638.db2.gz RUJNQWYARNFVGF-IKVWTGGYSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1CC([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041297 1025399648 /nfs/dbraw/zinc/39/96/48/1025399648.db2.gz RUJNQWYARNFVGF-IKVWTGGYSA-N 2 1 330.516 3.521 20 0 EHADMP CCC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC[NH2+]CC1 ZINC000347011418 1025408902 /nfs/dbraw/zinc/40/89/02/1025408902.db2.gz GHXIWDJAPOSYAY-UHFFFAOYSA-N 2 1 339.483 3.625 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442710489 1025436554 /nfs/dbraw/zinc/43/65/54/1025436554.db2.gz QAYDLXKMRLGCEN-DLBZAZTESA-N 2 1 325.500 3.879 20 0 EHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442710321 1025436602 /nfs/dbraw/zinc/43/66/02/1025436602.db2.gz PTJRSSIJZBKQLB-IRXDYDNUSA-N 2 1 325.500 3.737 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1[NH3+] ZINC000347054537 1025450226 /nfs/dbraw/zinc/45/02/26/1025450226.db2.gz TWBWJMYZUQKMEU-YWZLYKJASA-N 2 1 328.431 3.574 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH2+]C)c2)cc1)C1CC1 ZINC000428301685 1025465461 /nfs/dbraw/zinc/46/54/61/1025465461.db2.gz CZHOCCRUBHQCDR-UHFFFAOYSA-N 2 1 337.467 3.643 20 0 EHADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442773100 1025465945 /nfs/dbraw/zinc/46/59/45/1025465945.db2.gz WLIZSEJKVXEBPY-DFNIBXOVSA-N 2 1 346.478 3.716 20 0 EHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767408 1025480082 /nfs/dbraw/zinc/48/00/82/1025480082.db2.gz MQFLOVDBKGDWNB-JKSUJKDBSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442767408 1025480089 /nfs/dbraw/zinc/48/00/89/1025480089.db2.gz MQFLOVDBKGDWNB-JKSUJKDBSA-N 2 1 325.500 3.735 20 0 EHADMP Clc1cc(Cl)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248540 1025519130 /nfs/dbraw/zinc/51/91/30/1025519130.db2.gz LXESKYRAGODIAQ-QGZVFWFLSA-N 2 1 343.298 3.584 20 0 EHADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442871044 1025543407 /nfs/dbraw/zinc/54/34/07/1025543407.db2.gz AVYQOXDMVGHHIN-SFHVURJKSA-N 2 1 337.939 3.653 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC1(C)C ZINC000442875709 1025548634 /nfs/dbraw/zinc/54/86/34/1025548634.db2.gz WOSFTWUHJDLDFA-HKUYNNGSSA-N 2 1 349.950 3.592 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000436292627 1025556535 /nfs/dbraw/zinc/55/65/35/1025556535.db2.gz BMJNQCRMKHYXDI-DWIQEWEKSA-N 2 1 348.506 3.798 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)[C@H]1c1cccs1 ZINC000657375272 1025662667 /nfs/dbraw/zinc/66/26/67/1025662667.db2.gz XEDOVEOMTMJRMT-APWZRJJASA-N 2 1 344.528 3.527 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)[C@H]1c1cccs1 ZINC000657375272 1025662674 /nfs/dbraw/zinc/66/26/74/1025662674.db2.gz XEDOVEOMTMJRMT-APWZRJJASA-N 2 1 344.528 3.527 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000521817128 1025703365 /nfs/dbraw/zinc/70/33/65/1025703365.db2.gz WHSQLMKMLZGJDP-HDICACEKSA-N 2 1 340.515 3.843 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000521817128 1025703378 /nfs/dbraw/zinc/70/33/78/1025703378.db2.gz WHSQLMKMLZGJDP-HDICACEKSA-N 2 1 340.515 3.843 20 0 EHADMP C[N@@H+](CCCNc1cc(N2CCCCC2)ncn1)C1CCCCC1 ZINC000521919608 1025770622 /nfs/dbraw/zinc/77/06/22/1025770622.db2.gz QPJUQGQFTXRGRH-UHFFFAOYSA-N 2 1 331.508 3.533 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1Br ZINC000125431494 1025789462 /nfs/dbraw/zinc/78/94/62/1025789462.db2.gz LRVJMZLGRMYVSQ-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1Br ZINC000125431494 1025789475 /nfs/dbraw/zinc/78/94/75/1025789475.db2.gz LRVJMZLGRMYVSQ-UHFFFAOYSA-N 2 1 336.277 3.866 20 0 EHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000347286645 1025812186 /nfs/dbraw/zinc/81/21/86/1025812186.db2.gz GLLAFDTUAHBMFX-BXUZGUMPSA-N 2 1 343.334 3.916 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCO1 ZINC000648421858 1026048516 /nfs/dbraw/zinc/04/85/16/1026048516.db2.gz AYBMEGHAXASUIG-DUXKGJEZSA-N 2 1 330.516 3.966 20 0 EHADMP CCCn1nccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657416571 1026140946 /nfs/dbraw/zinc/14/09/46/1026140946.db2.gz VIXSLANKCXYXBI-QUCCMNQESA-N 2 1 340.515 3.683 20 0 EHADMP CCCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000516215079 1026144939 /nfs/dbraw/zinc/14/49/39/1026144939.db2.gz DVWSHALSFVETRP-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000516215079 1026144942 /nfs/dbraw/zinc/14/49/42/1026144942.db2.gz DVWSHALSFVETRP-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000516215079 1026144946 /nfs/dbraw/zinc/14/49/46/1026144946.db2.gz DVWSHALSFVETRP-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP CCCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000516215079 1026144953 /nfs/dbraw/zinc/14/49/53/1026144953.db2.gz DVWSHALSFVETRP-WMZOPIPTSA-N 2 1 334.504 3.646 20 0 EHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000475111733 1026205118 /nfs/dbraw/zinc/20/51/18/1026205118.db2.gz BRQWTPVQIPKBTC-UHFFFAOYSA-N 2 1 344.499 3.702 20 0 EHADMP c1ccc(CCCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655708868 1026297519 /nfs/dbraw/zinc/29/75/19/1026297519.db2.gz VDFOABURPAWOEJ-OAQYLSRUSA-N 2 1 330.516 3.632 20 0 EHADMP COc1ncc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000342583812 1026369161 /nfs/dbraw/zinc/36/91/61/1026369161.db2.gz WANJVVCPTXHVSW-ZDUSSCGKSA-N 2 1 325.884 3.516 20 0 EHADMP C[C@@H](C[C@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347358815 1026386903 /nfs/dbraw/zinc/38/69/03/1026386903.db2.gz NCTAKSFUSKKUMY-KXEVLKFVSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H](C[C@@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347358814 1026387267 /nfs/dbraw/zinc/38/72/67/1026387267.db2.gz NCTAKSFUSKKUMY-FWZVCBSNSA-N 2 1 328.500 3.729 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000530902145 1026390196 /nfs/dbraw/zinc/39/01/96/1026390196.db2.gz LEEDQTBLMJXGHR-HOCLYGCPSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000530902145 1026390206 /nfs/dbraw/zinc/39/02/06/1026390206.db2.gz LEEDQTBLMJXGHR-HOCLYGCPSA-N 2 1 344.421 3.889 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000530902145 1026390218 /nfs/dbraw/zinc/39/02/18/1026390218.db2.gz LEEDQTBLMJXGHR-HOCLYGCPSA-N 2 1 344.421 3.889 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000475313239 1026469687 /nfs/dbraw/zinc/46/96/87/1026469687.db2.gz DEWGUTIPIBFARH-GKJHBJHPSA-N 2 1 344.543 3.674 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1)C(C)C ZINC000582545685 1026541166 /nfs/dbraw/zinc/54/11/66/1026541166.db2.gz BNCKCOLYMHXROB-UHFFFAOYSA-N 2 1 337.467 3.772 20 0 EHADMP C[C@@H]1C[C@@H](N2CC([NH+]3CCCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063959 1026589988 /nfs/dbraw/zinc/58/99/88/1026589988.db2.gz ORXBFLHLKXZULR-CEQLMSFQSA-N 2 1 341.543 3.598 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1OC ZINC000531191645 1026662844 /nfs/dbraw/zinc/66/28/44/1026662844.db2.gz QDNWRJNFDIPAJJ-QZTJIDSGSA-N 2 1 334.504 3.694 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378466 1026865844 /nfs/dbraw/zinc/86/58/44/1026865844.db2.gz NKYIKAYLFVPNFW-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378466 1026865851 /nfs/dbraw/zinc/86/58/51/1026865851.db2.gz NKYIKAYLFVPNFW-GOEBONIOSA-N 2 1 344.421 3.932 20 0 EHADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397197 1026913660 /nfs/dbraw/zinc/91/36/60/1026913660.db2.gz DWNONADCVBEGGV-SJORKVTESA-N 2 1 333.520 3.586 20 0 EHADMP Cn1cnc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000342747149 1026943383 /nfs/dbraw/zinc/94/33/83/1026943383.db2.gz USDNFOWTWLLGEN-IBGZPJMESA-N 2 1 340.515 3.661 20 0 EHADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000342747149 1026943394 /nfs/dbraw/zinc/94/33/94/1026943394.db2.gz USDNFOWTWLLGEN-IBGZPJMESA-N 2 1 340.515 3.661 20 0 EHADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)([NH+](C)C)C1 ZINC000582706047 1027008295 /nfs/dbraw/zinc/00/82/95/1027008295.db2.gz WRNYUOHIEQCKED-RMJJICAUSA-N 2 1 332.536 3.546 20 0 EHADMP Cc1nc2c(c(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n1)CCCC2 ZINC000302063971 1027039879 /nfs/dbraw/zinc/03/98/79/1027039879.db2.gz VFDVUOSQTAEFHR-FUHWJXTLSA-N 2 1 342.531 3.755 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000501162334 1027095666 /nfs/dbraw/zinc/09/56/66/1027095666.db2.gz ISNSVRDHVZOGPU-UHFFFAOYSA-N 2 1 346.515 3.947 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000501162334 1027095678 /nfs/dbraw/zinc/09/56/78/1027095678.db2.gz ISNSVRDHVZOGPU-UHFFFAOYSA-N 2 1 346.515 3.947 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803364 1027128660 /nfs/dbraw/zinc/12/86/60/1027128660.db2.gz RKGFPDOHODCZTE-FUHWJXTLSA-N 2 1 332.488 3.619 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000272826616 1027134337 /nfs/dbraw/zinc/13/43/37/1027134337.db2.gz DNFRDTYNXAMNPH-SJCJKPOMSA-N 2 1 345.314 3.878 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694973 1027213811 /nfs/dbraw/zinc/21/38/11/1027213811.db2.gz UKOWRVGIRWXDEV-DXIQSLLYSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694973 1027213830 /nfs/dbraw/zinc/21/38/30/1027213830.db2.gz UKOWRVGIRWXDEV-DXIQSLLYSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694973 1027213844 /nfs/dbraw/zinc/21/38/44/1027213844.db2.gz UKOWRVGIRWXDEV-DXIQSLLYSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694973 1027213856 /nfs/dbraw/zinc/21/38/56/1027213856.db2.gz UKOWRVGIRWXDEV-DXIQSLLYSA-N 2 1 343.559 3.881 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430037690 1027233147 /nfs/dbraw/zinc/23/31/47/1027233147.db2.gz VQVMFQZYZUWHCP-INIZCTEOSA-N 2 1 336.907 3.950 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430037690 1027233165 /nfs/dbraw/zinc/23/31/65/1027233165.db2.gz VQVMFQZYZUWHCP-INIZCTEOSA-N 2 1 336.907 3.950 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453096641 1027362029 /nfs/dbraw/zinc/36/20/29/1027362029.db2.gz UHNUQUJLGFCLLX-MRXNPFEDSA-N 2 1 326.488 3.612 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[N@@H+]1C ZINC000453116573 1027390484 /nfs/dbraw/zinc/39/04/84/1027390484.db2.gz JIPRGYATYALTRM-YCEFEEMOSA-N 2 1 336.907 3.502 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC[N@H+]1C ZINC000453116573 1027390499 /nfs/dbraw/zinc/39/04/99/1027390499.db2.gz JIPRGYATYALTRM-YCEFEEMOSA-N 2 1 336.907 3.502 20 0 EHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(-c2ccccc2)nn1C ZINC000453124179 1027401946 /nfs/dbraw/zinc/40/19/46/1027401946.db2.gz GARUGMJDPHNRFK-SZMVWBNQSA-N 2 1 326.488 3.611 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000420296355 1027435072 /nfs/dbraw/zinc/43/50/72/1027435072.db2.gz BMZOYUYLNWMQBR-QGZVFWFLSA-N 2 1 328.431 3.541 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000420296355 1027435082 /nfs/dbraw/zinc/43/50/82/1027435082.db2.gz BMZOYUYLNWMQBR-QGZVFWFLSA-N 2 1 328.431 3.541 20 0 EHADMP FC(F)(F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453133806 1027438239 /nfs/dbraw/zinc/43/82/39/1027438239.db2.gz RJGKICYVXOMKBX-ZACQAIPSSA-N 2 1 326.406 3.972 20 0 EHADMP COc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](c1ccccc1)C2 ZINC000420299184 1027449025 /nfs/dbraw/zinc/44/90/25/1027449025.db2.gz IFLSAKZWIDDYIQ-VGOFRKELSA-N 2 1 336.479 3.794 20 0 EHADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000420299129 1027449765 /nfs/dbraw/zinc/44/97/65/1027449765.db2.gz GJDHLMTXQYPPIV-MAUKXSAKSA-N 2 1 328.456 3.526 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420300151 1027450529 /nfs/dbraw/zinc/45/05/29/1027450529.db2.gz HJCGBHVWEPCEGN-IBGZPJMESA-N 2 1 340.515 3.619 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420319322 1027466939 /nfs/dbraw/zinc/46/69/39/1027466939.db2.gz PANPBBOWRSBRSH-ZWKOTPCHSA-N 2 1 340.515 3.796 20 0 EHADMP COc1ccc([C@H](C[NH3+])C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1 ZINC000420318244 1027467002 /nfs/dbraw/zinc/46/70/02/1027467002.db2.gz NWIJRPZGBBQQQA-MRXNPFEDSA-N 2 1 345.512 3.562 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332657 1027482785 /nfs/dbraw/zinc/48/27/85/1027482785.db2.gz SCMOLQBHZRNBAP-VNQPRFMTSA-N 2 1 337.305 3.832 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657588905 1027519047 /nfs/dbraw/zinc/51/90/47/1027519047.db2.gz PINQQRTXJPIYAL-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657588905 1027519056 /nfs/dbraw/zinc/51/90/56/1027519056.db2.gz PINQQRTXJPIYAL-OAQYLSRUSA-N 2 1 335.495 3.719 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000501787360 1027533586 /nfs/dbraw/zinc/53/35/86/1027533586.db2.gz WIPMLTSEULENRY-QGZVFWFLSA-N 2 1 336.495 3.957 20 0 EHADMP CC[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000657597010 1027559398 /nfs/dbraw/zinc/55/93/98/1027559398.db2.gz QPXYBSHPASMDIQ-IFMALSPDSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657595795 1027573024 /nfs/dbraw/zinc/57/30/24/1027573024.db2.gz KBWLGHWKVCMQFI-IBGZPJMESA-N 2 1 344.886 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000130622727 1027687759 /nfs/dbraw/zinc/68/77/59/1027687759.db2.gz HDYIONISMVFVAL-INIZCTEOSA-N 2 1 345.450 3.722 20 0 EHADMP C[C@@H]1C[C@H](N(C)Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C ZINC000130645993 1027690421 /nfs/dbraw/zinc/69/04/21/1027690421.db2.gz MPLSGFUZHLHKGS-CXAGYDPISA-N 2 1 332.879 3.645 20 0 EHADMP Cc1nc(COc2ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc2)cs1 ZINC000414657310 1027723176 /nfs/dbraw/zinc/72/31/76/1027723176.db2.gz HNNNALVDDPYKQP-IBGZPJMESA-N 2 1 347.528 3.836 20 0 EHADMP CC[NH+](CC)Cc1ccccc1Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001211989127 1027724212 /nfs/dbraw/zinc/72/42/12/1027724212.db2.gz JNCMGKPSOPEXEE-UHFFFAOYSA-N 2 1 347.466 3.733 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc2)cc1 ZINC000414659456 1027731455 /nfs/dbraw/zinc/73/14/55/1027731455.db2.gz NAHBMTVPTIMAHN-YWZLYKJASA-N 2 1 326.440 3.657 20 0 EHADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119733294 1027783047 /nfs/dbraw/zinc/78/30/47/1027783047.db2.gz OLDZYQPHRTUJOI-CYBMUJFWSA-N 2 1 337.305 3.597 20 0 EHADMP C[N@@H+](Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000422730600 1027875985 /nfs/dbraw/zinc/87/59/85/1027875985.db2.gz KEROCTZPEJGAIX-WCRBZPEASA-N 3 1 341.543 3.824 20 0 EHADMP C[N@H+](Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000422730600 1027875999 /nfs/dbraw/zinc/87/59/99/1027875999.db2.gz KEROCTZPEJGAIX-WCRBZPEASA-N 2 1 341.543 3.824 20 0 EHADMP C[N@@H+](Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000422730600 1027876006 /nfs/dbraw/zinc/87/60/06/1027876006.db2.gz KEROCTZPEJGAIX-WCRBZPEASA-N 2 1 341.543 3.824 20 0 EHADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422784892 1027939857 /nfs/dbraw/zinc/93/98/57/1027939857.db2.gz MTBKNSHANWZNMT-BHDDXSALSA-N 2 1 341.543 3.683 20 0 EHADMP CC[C@@H](c1ccccc1)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984919 1027943498 /nfs/dbraw/zinc/94/34/98/1027943498.db2.gz VJDAXZDZZYPJLP-NRFANRHFSA-N 2 1 329.532 3.630 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000420982883 1027944086 /nfs/dbraw/zinc/94/40/86/1027944086.db2.gz PRLDMQMILANQQO-UXHICEINSA-N 2 1 335.580 3.695 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000421031378 1027993075 /nfs/dbraw/zinc/99/30/75/1027993075.db2.gz ZXFCHODGQDNQIA-OAQYLSRUSA-N 2 1 343.559 3.671 20 0 EHADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422867380 1028003466 /nfs/dbraw/zinc/00/34/66/1028003466.db2.gz SBHLEXWLCFMJRZ-VHSSKADRSA-N 2 1 326.440 3.808 20 0 EHADMP CC[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422880593 1028013272 /nfs/dbraw/zinc/01/32/72/1028013272.db2.gz WYUDERZHQAMCNN-KXBFYZLASA-N 2 1 325.456 3.555 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422911944 1028045145 /nfs/dbraw/zinc/04/51/45/1028045145.db2.gz LTZGGCPKIRHCLB-PCCBWWKXSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422911944 1028045163 /nfs/dbraw/zinc/04/51/63/1028045163.db2.gz LTZGGCPKIRHCLB-PCCBWWKXSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422911944 1028045185 /nfs/dbraw/zinc/04/51/85/1028045185.db2.gz LTZGGCPKIRHCLB-PCCBWWKXSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533548924 1028065133 /nfs/dbraw/zinc/06/51/33/1028065133.db2.gz IZJFUSPEMGNZTI-WMZOPIPTSA-N 2 1 335.561 3.595 20 0 EHADMP C[C@@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422921563 1028077351 /nfs/dbraw/zinc/07/73/51/1028077351.db2.gz QMJKJCRZBMSFAJ-ORPRQENYSA-N 2 1 344.405 3.871 20 0 EHADMP C[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCCC[NH2+]1 ZINC000422990462 1028100477 /nfs/dbraw/zinc/10/04/77/1028100477.db2.gz CAQJTGBRYDMHQZ-LAUBAEHRSA-N 2 1 341.499 3.532 20 0 EHADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000422969912 1028102605 /nfs/dbraw/zinc/10/26/05/1028102605.db2.gz VDBDXAHFJWJJCS-IPELMVKDSA-N 2 1 326.415 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000643345076 1028104597 /nfs/dbraw/zinc/10/45/97/1028104597.db2.gz TZZVOTZLSABWCG-UNMCSNQZSA-N 2 1 349.522 3.831 20 0 EHADMP C[C@@H]([NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423061046 1028152824 /nfs/dbraw/zinc/15/28/24/1028152824.db2.gz PXHRHJICQSINJG-ABAIWWIYSA-N 2 1 330.369 3.606 20 0 EHADMP C[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1c[nH+]ccc1N ZINC000423066922 1028158332 /nfs/dbraw/zinc/15/83/32/1028158332.db2.gz YCGOKZDMMWWPFX-LBPRGKRZSA-N 2 1 328.847 3.533 20 0 EHADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423050460 1028163978 /nfs/dbraw/zinc/16/39/78/1028163978.db2.gz LKABRGYIICWDAP-CWRNSKLLSA-N 2 1 346.906 3.627 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000423097815 1028180380 /nfs/dbraw/zinc/18/03/80/1028180380.db2.gz BNOLXCFHFPRAND-OKZBNKHCSA-N 2 1 326.440 3.889 20 0 EHADMP COc1ccc([C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423117344 1028187098 /nfs/dbraw/zinc/18/70/98/1028187098.db2.gz VAFXYZXYCPXJTK-ROUUACIJSA-N 2 1 338.442 3.903 20 0 EHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423143720 1028229075 /nfs/dbraw/zinc/22/90/75/1028229075.db2.gz DVZHIEWSDSPKKE-ZTFGCOKTSA-N 2 1 344.890 3.536 20 0 EHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000423184045 1028232645 /nfs/dbraw/zinc/23/26/45/1028232645.db2.gz HMOFBZKKIGFTBS-AWEZNQCLSA-N 2 1 348.288 3.675 20 0 EHADMP C[C@H](NCC1([NH3+])CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423198445 1028267787 /nfs/dbraw/zinc/26/77/87/1028267787.db2.gz FWTLVTCJNQCOJS-ICSRJNTNSA-N 2 1 329.532 3.538 20 0 EHADMP [NH3+][C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000423249380 1028308377 /nfs/dbraw/zinc/30/83/77/1028308377.db2.gz SVZSZUIWVKEPBA-SSGKUCQKSA-N 2 1 349.522 3.577 20 0 EHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(-c2ccccc2)nn1C ZINC000423261334 1028319602 /nfs/dbraw/zinc/31/96/02/1028319602.db2.gz JSBSZPZJNWLCQC-BEFAXECRSA-N 2 1 326.488 3.645 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@H](C)c3ccccc3)CC2)CC1 ZINC000421367051 1028323596 /nfs/dbraw/zinc/32/35/96/1028323596.db2.gz DLPLDZHPOGJOKD-FQEVSTJZSA-N 2 1 343.559 3.672 20 0 EHADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423290850 1028328836 /nfs/dbraw/zinc/32/88/36/1028328836.db2.gz FRPANFICOXEIEI-AQNXPRMDSA-N 2 1 329.532 3.537 20 0 EHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000423293136 1028331491 /nfs/dbraw/zinc/33/14/91/1028331491.db2.gz PWAWBUQVKSUAEB-ZJUUUORDSA-N 2 1 340.290 3.776 20 0 EHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H](C)[NH3+] ZINC000423324053 1028361138 /nfs/dbraw/zinc/36/11/38/1028361138.db2.gz HVHRUTLTLWHPMC-BXWFABGCSA-N 2 1 331.504 3.619 20 0 EHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000121453137 1028363333 /nfs/dbraw/zinc/36/33/33/1028363333.db2.gz WOYQMQKRKPQNQA-YOEHRIQHSA-N 2 1 331.460 3.586 20 0 EHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000121453311 1028364017 /nfs/dbraw/zinc/36/40/17/1028364017.db2.gz WOYQMQKRKPQNQA-WMLDXEAASA-N 2 1 331.460 3.586 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000423386100 1028402734 /nfs/dbraw/zinc/40/27/34/1028402734.db2.gz RFEDKXLQRWBCIV-SUNKGSAMSA-N 2 1 337.261 3.986 20 0 EHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909614411 1028451448 /nfs/dbraw/zinc/45/14/48/1028451448.db2.gz VJNNGDBZPFSZJB-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909614411 1028451457 /nfs/dbraw/zinc/45/14/57/1028451457.db2.gz VJNNGDBZPFSZJB-HXUWFJFHSA-N 2 1 339.483 3.688 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423470731 1028455544 /nfs/dbraw/zinc/45/55/44/1028455544.db2.gz LXMJCRGJONGKTL-PPGORRQASA-N 3 1 341.543 3.537 20 0 EHADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423470731 1028455553 /nfs/dbraw/zinc/45/55/53/1028455553.db2.gz LXMJCRGJONGKTL-PPGORRQASA-N 2 1 341.543 3.537 20 0 EHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423470954 1028457557 /nfs/dbraw/zinc/45/75/57/1028457557.db2.gz HCOJJHLONNJRGF-OTYXRUKQSA-N 2 1 335.225 3.815 20 0 EHADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423483784 1028471921 /nfs/dbraw/zinc/47/19/21/1028471921.db2.gz ZOOJOCMAGZVSLK-VDZJLULYSA-N 2 1 327.447 3.573 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000423506722 1028472079 /nfs/dbraw/zinc/47/20/79/1028472079.db2.gz IQIZXUMNTYLRIE-GHZCZGOHSA-N 2 1 341.543 3.677 20 0 EHADMP CC[C@H](c1ccccc1Br)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511762 1028488452 /nfs/dbraw/zinc/48/84/52/1028488452.db2.gz OZNBKUQAEWRPIQ-DAXOMENPSA-N 2 1 325.294 3.817 20 0 EHADMP C1CCC2(CC1)CCC([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423510267 1028488478 /nfs/dbraw/zinc/48/84/78/1028488478.db2.gz NHDVFABWHSEXQC-UHFFFAOYSA-N 2 1 333.564 3.686 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414758122 1028587703 /nfs/dbraw/zinc/58/77/03/1028587703.db2.gz BXZPTSKSDMZQNW-KURNWNDPSA-N 2 1 348.490 3.964 20 0 EHADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414758122 1028587709 /nfs/dbraw/zinc/58/77/09/1028587709.db2.gz BXZPTSKSDMZQNW-KURNWNDPSA-N 2 1 348.490 3.964 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000237357110 1028648396 /nfs/dbraw/zinc/64/83/96/1028648396.db2.gz FHKTUPLHCSXRCG-NSHDSACASA-N 2 1 343.805 3.872 20 0 EHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000523853719 1028662092 /nfs/dbraw/zinc/66/20/92/1028662092.db2.gz VKNFGWIHIHHLBG-BBRMVZONSA-N 2 1 339.911 3.623 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Oc1cccnc1 ZINC000414766577 1028692098 /nfs/dbraw/zinc/69/20/98/1028692098.db2.gz HXOMLVJIYIJAOM-KDURUIRLSA-N 2 1 337.467 3.614 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000248439691 1028904575 /nfs/dbraw/zinc/90/45/75/1028904575.db2.gz IVHJOJQASVCDLJ-DNVCBOLYSA-N 2 1 344.524 3.782 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000524156056 1028923310 /nfs/dbraw/zinc/92/33/10/1028923310.db2.gz DYULTOYUTCPNSJ-AWEZNQCLSA-N 2 1 348.516 3.911 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000524156056 1028923327 /nfs/dbraw/zinc/92/33/27/1028923327.db2.gz DYULTOYUTCPNSJ-AWEZNQCLSA-N 2 1 348.516 3.911 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000524156241 1028924715 /nfs/dbraw/zinc/92/47/15/1028924715.db2.gz YEAWWLDKZHVZDO-UHFFFAOYSA-N 2 1 326.431 3.840 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1coc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424290547 1028931521 /nfs/dbraw/zinc/93/15/21/1028931521.db2.gz MUSGIHKVCAZTIZ-CQSZACIVSA-N 2 1 345.874 3.959 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288092 1028931876 /nfs/dbraw/zinc/93/18/76/1028931876.db2.gz KDBLWTNMLHRQTQ-HNNXBMFYSA-N 2 1 325.456 3.614 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)o1 ZINC000424294407 1028935845 /nfs/dbraw/zinc/93/58/45/1028935845.db2.gz QDULRNXQVOGESC-ZDUSSCGKSA-N 2 1 331.485 3.676 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268815 1028942718 /nfs/dbraw/zinc/94/27/18/1028942718.db2.gz LRKGMJOUXRTIOJ-QXCZDIPSSA-N 2 1 348.556 3.753 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268815 1028942736 /nfs/dbraw/zinc/94/27/36/1028942736.db2.gz LRKGMJOUXRTIOJ-QXCZDIPSSA-N 2 1 348.556 3.753 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCOC3CCCC3)CC23CC3)cc1 ZINC000583144122 1028992513 /nfs/dbraw/zinc/99/25/13/1028992513.db2.gz PZIGQUQGICUSFL-LJQANCHMSA-N 2 1 328.500 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCOC3CCCC3)CC23CC3)cc1 ZINC000583144122 1028992531 /nfs/dbraw/zinc/99/25/31/1028992531.db2.gz PZIGQUQGICUSFL-LJQANCHMSA-N 2 1 328.500 3.732 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000424368574 1029031061 /nfs/dbraw/zinc/03/10/61/1029031061.db2.gz AOTKXOSVJASNFP-HNNXBMFYSA-N 2 1 327.497 3.774 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccncc3)cc1F)CC[NH2+]CC2 ZINC000424375107 1029034086 /nfs/dbraw/zinc/03/40/86/1029034086.db2.gz JJWBGSWTIZGWSA-MRXNPFEDSA-N 2 1 339.458 3.852 20 0 EHADMP OC1(C2(C[NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526316 1029049620 /nfs/dbraw/zinc/04/96/20/1029049620.db2.gz ZLTLZIBEVUPHHS-QUCCMNQESA-N 2 1 340.511 3.639 20 0 EHADMP OC1(C2(C[NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CCC1 ZINC000897526316 1029049637 /nfs/dbraw/zinc/04/96/37/1029049637.db2.gz ZLTLZIBEVUPHHS-QUCCMNQESA-N 2 1 340.511 3.639 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC001167659005 1029210695 /nfs/dbraw/zinc/21/06/95/1029210695.db2.gz MJQNGAKLQUZFIL-JRGCBEDISA-N 2 1 334.548 3.921 20 0 EHADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271887425 1029217309 /nfs/dbraw/zinc/21/73/09/1029217309.db2.gz RBHAMBYCDQOWFI-AWEZNQCLSA-N 2 1 326.406 3.878 20 0 EHADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692392 1029228809 /nfs/dbraw/zinc/22/88/09/1029228809.db2.gz BGWMSBULASUIIG-JXFKEZNVSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692392 1029228826 /nfs/dbraw/zinc/22/88/26/1029228826.db2.gz BGWMSBULASUIIG-JXFKEZNVSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000252692392 1029228842 /nfs/dbraw/zinc/22/88/42/1029228842.db2.gz BGWMSBULASUIIG-JXFKEZNVSA-N 2 1 339.458 3.823 20 0 EHADMP Fc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000252692392 1029228858 /nfs/dbraw/zinc/22/88/58/1029228858.db2.gz BGWMSBULASUIIG-JXFKEZNVSA-N 2 1 339.458 3.823 20 0 EHADMP C[C@@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)nc2)CC[N@H+]1C ZINC000162711641 1029309351 /nfs/dbraw/zinc/30/93/51/1029309351.db2.gz UJLMJZULWXJLST-PBHICJAKSA-N 2 1 329.419 3.585 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCN1C ZINC000162711641 1029309359 /nfs/dbraw/zinc/30/93/59/1029309359.db2.gz UJLMJZULWXJLST-PBHICJAKSA-N 2 1 329.419 3.585 20 0 EHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245946099 1029502989 /nfs/dbraw/zinc/50/29/89/1029502989.db2.gz WRNKQJKELAMFDS-RTBURBONSA-N 2 1 335.923 3.503 20 0 EHADMP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000261953050 1029537182 /nfs/dbraw/zinc/53/71/82/1029537182.db2.gz OFYMBRFVNSVPFC-CABCVRRESA-N 2 1 344.421 3.714 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720173 1029579577 /nfs/dbraw/zinc/57/95/77/1029579577.db2.gz XCDNEXJOZDPDBI-SESVDKBCSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000272720173 1029579582 /nfs/dbraw/zinc/57/95/82/1029579582.db2.gz XCDNEXJOZDPDBI-SESVDKBCSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000272720173 1029579590 /nfs/dbraw/zinc/57/95/90/1029579590.db2.gz XCDNEXJOZDPDBI-SESVDKBCSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272720173 1029579594 /nfs/dbraw/zinc/57/95/94/1029579594.db2.gz XCDNEXJOZDPDBI-SESVDKBCSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272720173 1029579598 /nfs/dbraw/zinc/57/95/98/1029579598.db2.gz XCDNEXJOZDPDBI-SESVDKBCSA-N 2 1 341.543 3.504 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2C1 ZINC000156166232 1029761468 /nfs/dbraw/zinc/76/14/68/1029761468.db2.gz HRZGVDCUCDZQML-UHFFFAOYSA-N 2 1 337.467 3.726 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2C1 ZINC000156166232 1029761474 /nfs/dbraw/zinc/76/14/74/1029761474.db2.gz HRZGVDCUCDZQML-UHFFFAOYSA-N 2 1 337.467 3.726 20 0 EHADMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709585 1029770398 /nfs/dbraw/zinc/77/03/98/1029770398.db2.gz IEOQKCBVMBFQMD-YLJYHZDGSA-N 2 1 326.459 3.868 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427610857 1029772637 /nfs/dbraw/zinc/77/26/37/1029772637.db2.gz CZOPTLGJTTXWCH-OAHLLOKOSA-N 2 1 329.410 3.798 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427610857 1029772646 /nfs/dbraw/zinc/77/26/46/1029772646.db2.gz CZOPTLGJTTXWCH-OAHLLOKOSA-N 2 1 329.410 3.798 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)C2CCCC2)CC1 ZINC000446752320 1029782232 /nfs/dbraw/zinc/78/22/32/1029782232.db2.gz HABHOAXUCDFNAU-NRFANRHFSA-N 2 1 330.516 3.927 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CCCC2)CC1 ZINC000446752321 1029782242 /nfs/dbraw/zinc/78/22/42/1029782242.db2.gz HABHOAXUCDFNAU-OAQYLSRUSA-N 2 1 330.516 3.927 20 0 EHADMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1O ZINC000080338279 1029814482 /nfs/dbraw/zinc/81/44/82/1029814482.db2.gz JYOMZCBMILJEMF-QFBILLFUSA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1O ZINC000080338279 1029814492 /nfs/dbraw/zinc/81/44/92/1029814492.db2.gz JYOMZCBMILJEMF-QFBILLFUSA-N 2 1 340.467 3.544 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1O ZINC000080338279 1029814497 /nfs/dbraw/zinc/81/44/97/1029814497.db2.gz JYOMZCBMILJEMF-QFBILLFUSA-N 2 1 340.467 3.544 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000287592491 1029846242 /nfs/dbraw/zinc/84/62/42/1029846242.db2.gz IEJHVYGFODTPHX-DJIMGWMZSA-N 2 1 344.421 3.597 20 0 EHADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2CCC[C@H]21)C1CC[NH+](C)CC1 ZINC000428463662 1029874913 /nfs/dbraw/zinc/87/49/13/1029874913.db2.gz SIKMAPBGJHWDON-LAUBAEHRSA-N 2 1 327.516 3.591 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@H](C)C1 ZINC000453221460 1029934008 /nfs/dbraw/zinc/93/40/08/1029934008.db2.gz OYVOTAOAIZSXDM-AOIWGVFYSA-N 2 1 348.556 3.603 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)[C@@H](C)C1 ZINC000453243121 1029970450 /nfs/dbraw/zinc/97/04/50/1029970450.db2.gz YNDUOAHBUINRTI-ORYQWCPZSA-N 2 1 348.506 3.930 20 0 EHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000453264492 1029995143 /nfs/dbraw/zinc/99/51/43/1029995143.db2.gz VPKKGMTUMOBUJI-QRVBRYPASA-N 2 1 332.536 3.546 20 0 EHADMP Cc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650708928 1030032652 /nfs/dbraw/zinc/03/26/52/1030032652.db2.gz VXUSORUKFLURPP-IYOUNJFTSA-N 2 1 340.870 3.506 20 0 EHADMP CSc1ccc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000525787657 1030104969 /nfs/dbraw/zinc/10/49/69/1030104969.db2.gz KTAPAPAPRVBMAJ-UHFFFAOYSA-N 2 1 336.545 3.840 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC[N@H+]1C ZINC000531940256 1030106727 /nfs/dbraw/zinc/10/67/27/1030106727.db2.gz TXGHJLJYIOULNH-VQIMIIECSA-N 2 1 328.456 3.569 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453386749 1030166367 /nfs/dbraw/zinc/16/63/67/1030166367.db2.gz PGSCKOLIGREHAK-QUCCMNQESA-N 2 1 344.543 3.818 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2C)[C@H](C)C1 ZINC000482022881 1030169001 /nfs/dbraw/zinc/16/90/01/1030169001.db2.gz VEAQSFCHGWSZJJ-TZIWHRDSSA-N 2 1 346.559 3.999 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000453365283 1030179654 /nfs/dbraw/zinc/17/96/54/1030179654.db2.gz RJRMMXTXFCRXLR-UHFFFAOYSA-N 2 1 332.532 3.816 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278328415 1030183028 /nfs/dbraw/zinc/18/30/28/1030183028.db2.gz FRPDACJFDRAGGQ-DNVCBOLYSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278328415 1030183034 /nfs/dbraw/zinc/18/30/34/1030183034.db2.gz FRPDACJFDRAGGQ-DNVCBOLYSA-N 2 1 327.447 3.672 20 0 EHADMP CC(C)c1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650723282 1030196287 /nfs/dbraw/zinc/19/62/87/1030196287.db2.gz KRPICTKUDAOTNO-HBMCJLEFSA-N 2 1 330.516 3.713 20 0 EHADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000453407511 1030217130 /nfs/dbraw/zinc/21/71/30/1030217130.db2.gz RZHLWFJSDGWHMB-GOSISDBHSA-N 2 1 331.460 3.695 20 0 EHADMP CC(C)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650724177 1030219178 /nfs/dbraw/zinc/21/91/78/1030219178.db2.gz ZLQJOTYAYGWSIU-NRSPTQNISA-N 2 1 346.515 3.582 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2cc(Br)ccc21)C1CC1 ZINC000453408153 1030221022 /nfs/dbraw/zinc/22/10/22/1030221022.db2.gz SIACBFKALATGCX-KRWDZBQOSA-N 2 1 337.305 3.900 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000482151331 1030230173 /nfs/dbraw/zinc/23/01/73/1030230173.db2.gz ONVSJVIIKMFYDF-GOEBONIOSA-N 2 1 338.517 3.525 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000482151332 1030230209 /nfs/dbraw/zinc/23/02/09/1030230209.db2.gz ONVSJVIIKMFYDF-HOCLYGCPSA-N 2 1 338.517 3.525 20 0 EHADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000278339088 1030246542 /nfs/dbraw/zinc/24/65/42/1030246542.db2.gz XFRORXCFUXVNNZ-OAHLLOKOSA-N 2 1 342.439 3.513 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nc2ccc(Cl)cc2n1C ZINC000453395950 1030248537 /nfs/dbraw/zinc/24/85/37/1030248537.db2.gz IHAQNODXJYBPOW-ZDUSSCGKSA-N 2 1 334.895 3.752 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000453595811 1030356077 /nfs/dbraw/zinc/35/60/77/1030356077.db2.gz KWEPXNGUESIADO-UHFFFAOYSA-N 2 1 334.357 3.688 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000453602577 1030389022 /nfs/dbraw/zinc/38/90/22/1030389022.db2.gz XASUSDHMXSELJU-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cc2)[C@H](C)C1 ZINC000482441585 1030422656 /nfs/dbraw/zinc/42/26/56/1030422656.db2.gz STWFMCHEWULCTN-TZIWHRDSSA-N 2 1 346.559 3.999 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000157327129 1030454493 /nfs/dbraw/zinc/45/44/93/1030454493.db2.gz VFWFNCVCUGGPCL-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP Oc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000278375204 1030463995 /nfs/dbraw/zinc/46/39/95/1030463995.db2.gz CNWZJOMDXVOXOE-MZADTFQBSA-N 2 1 336.479 3.720 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000526970151 1030527525 /nfs/dbraw/zinc/52/75/25/1030527525.db2.gz WNLZVKPCUFYASI-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)[NH+](CC)CC)cc1 ZINC000550847942 1030529057 /nfs/dbraw/zinc/52/90/57/1030529057.db2.gz QVBWLIINHLDRMU-UIFIKXQLSA-N 2 1 331.548 3.562 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644446 1030646766 /nfs/dbraw/zinc/64/67/66/1030646766.db2.gz KTPZOOCBPAEUFU-FXAWDEMLSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644446 1030646777 /nfs/dbraw/zinc/64/67/77/1030646777.db2.gz KTPZOOCBPAEUFU-FXAWDEMLSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644446 1030646783 /nfs/dbraw/zinc/64/67/83/1030646783.db2.gz KTPZOOCBPAEUFU-FXAWDEMLSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644446 1030646793 /nfs/dbraw/zinc/64/67/93/1030646793.db2.gz KTPZOOCBPAEUFU-FXAWDEMLSA-N 2 1 348.494 3.940 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000482708956 1030657272 /nfs/dbraw/zinc/65/72/72/1030657272.db2.gz AFNYCQDIFRYGBD-GIVPXCGWSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000482708956 1030657279 /nfs/dbraw/zinc/65/72/79/1030657279.db2.gz AFNYCQDIFRYGBD-GIVPXCGWSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000482708956 1030657290 /nfs/dbraw/zinc/65/72/90/1030657290.db2.gz AFNYCQDIFRYGBD-GIVPXCGWSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000482708956 1030657301 /nfs/dbraw/zinc/65/73/01/1030657301.db2.gz AFNYCQDIFRYGBD-GIVPXCGWSA-N 2 1 332.532 3.768 20 0 EHADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000482708956 1030657306 /nfs/dbraw/zinc/65/73/06/1030657306.db2.gz AFNYCQDIFRYGBD-GIVPXCGWSA-N 2 1 332.532 3.768 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000583775457 1030703801 /nfs/dbraw/zinc/70/38/01/1030703801.db2.gz NIGHQSCDBHHQSR-VQTJNVASSA-N 2 1 332.532 3.533 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037381 1030921719 /nfs/dbraw/zinc/92/17/19/1030921719.db2.gz BDUZXIWLAWJRTP-YXJHDRRASA-N 2 1 332.488 3.544 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037381 1030921733 /nfs/dbraw/zinc/92/17/33/1030921733.db2.gz BDUZXIWLAWJRTP-YXJHDRRASA-N 2 1 332.488 3.544 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000157876923 1030928151 /nfs/dbraw/zinc/92/81/51/1030928151.db2.gz XJPYVVCLRLFNSX-IBGZPJMESA-N 2 1 329.532 3.900 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000551050735 1030982398 /nfs/dbraw/zinc/98/23/98/1030982398.db2.gz KZKDEFWUTZMCNE-OMZCGLGVSA-N 2 1 328.500 3.615 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1c1ccccc1 ZINC000551050735 1030982417 /nfs/dbraw/zinc/98/24/17/1030982417.db2.gz KZKDEFWUTZMCNE-OMZCGLGVSA-N 2 1 328.500 3.615 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)CCS2 ZINC000343470366 1031026809 /nfs/dbraw/zinc/02/68/09/1031026809.db2.gz SAVPNMGKIABMHL-MAUKXSAKSA-N 2 1 334.529 3.944 20 0 EHADMP COC1(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267128 1031076120 /nfs/dbraw/zinc/07/61/20/1031076120.db2.gz BDVOHRIBHZINHD-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267128 1031076138 /nfs/dbraw/zinc/07/61/38/1031076138.db2.gz BDVOHRIBHZINHD-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267128 1031076159 /nfs/dbraw/zinc/07/61/59/1031076159.db2.gz BDVOHRIBHZINHD-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000483267128 1031076177 /nfs/dbraw/zinc/07/61/77/1031076177.db2.gz BDVOHRIBHZINHD-QUCCMNQESA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483267127 1031077267 /nfs/dbraw/zinc/07/72/67/1031077267.db2.gz BDVOHRIBHZINHD-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483267127 1031077284 /nfs/dbraw/zinc/07/72/84/1031077284.db2.gz BDVOHRIBHZINHD-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483267127 1031077302 /nfs/dbraw/zinc/07/73/02/1031077302.db2.gz BDVOHRIBHZINHD-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000483267127 1031077319 /nfs/dbraw/zinc/07/73/19/1031077319.db2.gz BDVOHRIBHZINHD-ICSRJNTNSA-N 2 1 330.516 3.931 20 0 EHADMP CC(C)OCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483497381 1031192729 /nfs/dbraw/zinc/19/27/29/1031192729.db2.gz BCLCBVAWQXSKII-SFTDATJTSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483497381 1031192736 /nfs/dbraw/zinc/19/27/36/1031192736.db2.gz BCLCBVAWQXSKII-SFTDATJTSA-N 2 1 330.516 3.788 20 0 EHADMP CC(C)OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483497381 1031192747 /nfs/dbraw/zinc/19/27/47/1031192747.db2.gz BCLCBVAWQXSKII-SFTDATJTSA-N 2 1 330.516 3.788 20 0 EHADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742085 1031196882 /nfs/dbraw/zinc/19/68/82/1031196882.db2.gz CZFNCCKCEWMTKY-VQTJNVASSA-N 2 1 330.516 3.978 20 0 EHADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)OCC ZINC000527742085 1031196888 /nfs/dbraw/zinc/19/68/88/1031196888.db2.gz CZFNCCKCEWMTKY-VQTJNVASSA-N 2 1 330.516 3.978 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000483494803 1031199118 /nfs/dbraw/zinc/19/91/18/1031199118.db2.gz WZFCDIPWQWWEBA-DYVFJYSZSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000483494803 1031199126 /nfs/dbraw/zinc/19/91/26/1031199126.db2.gz WZFCDIPWQWWEBA-DYVFJYSZSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000483494803 1031199133 /nfs/dbraw/zinc/19/91/33/1031199133.db2.gz WZFCDIPWQWWEBA-DYVFJYSZSA-N 2 1 343.298 3.788 20 0 EHADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551314340 1031217381 /nfs/dbraw/zinc/21/73/81/1031217381.db2.gz YMRQBBYBBXBIIM-IDGBJLRDSA-N 2 1 332.532 3.816 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278552745 1031341198 /nfs/dbraw/zinc/34/11/98/1031341198.db2.gz VXRRXUXQHAXEDL-INIZCTEOSA-N 3 1 338.499 3.706 20 0 EHADMP COCC[NH2+]C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000565093464 1031394576 /nfs/dbraw/zinc/39/45/76/1031394576.db2.gz LWLHRHOOKDFXLT-UHFFFAOYSA-N 2 1 342.936 3.523 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000176387111 1031431709 /nfs/dbraw/zinc/43/17/09/1031431709.db2.gz ZHDCGYAWLKPAKZ-FQEVSTJZSA-N 2 1 328.500 3.732 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000527982158 1031519695 /nfs/dbraw/zinc/51/96/95/1031519695.db2.gz QWSXOIYKYOOKLQ-ZUZCIYMTSA-N 2 1 347.247 3.547 20 0 EHADMP [NH3+]C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000584053097 1031594368 /nfs/dbraw/zinc/59/43/68/1031594368.db2.gz WQOQYJSVLDJPKW-DJHHFUNSSA-N 2 1 336.479 3.950 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657823342 1031594426 /nfs/dbraw/zinc/59/44/26/1031594426.db2.gz LEWNSDSAZRUNDE-SNVBAGLBSA-N 2 1 331.685 3.847 20 0 EHADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000178091869 1031623880 /nfs/dbraw/zinc/62/38/80/1031623880.db2.gz YLLKCWSQRRAJSM-IRXDYDNUSA-N 2 1 340.515 3.811 20 0 EHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178098795 1031624419 /nfs/dbraw/zinc/62/44/19/1031624419.db2.gz ZVIOQHIDXAIPCR-DGGJZMOXSA-N 2 1 336.545 3.587 20 0 EHADMP COC[C@H](CC(C)C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000484497212 1031634739 /nfs/dbraw/zinc/63/47/39/1031634739.db2.gz IROGTZLOTVULBX-IZZBFERCSA-N 2 1 332.532 3.794 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c[nH]nc32)[C@H]1c1ccccc1 ZINC000551803630 1031662826 /nfs/dbraw/zinc/66/28/26/1031662826.db2.gz HYRPAZLEIBICIV-TZIWHRDSSA-N 2 1 334.467 3.736 20 0 EHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551806057 1031665633 /nfs/dbraw/zinc/66/56/33/1031665633.db2.gz LZGQGVSSQFWDCX-ROUUACIJSA-N 2 1 332.536 3.764 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000178705134 1031717582 /nfs/dbraw/zinc/71/75/82/1031717582.db2.gz UUQIOEAYYLHTCG-BEFAXECRSA-N 2 1 327.472 3.948 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000584199749 1031924082 /nfs/dbraw/zinc/92/40/82/1031924082.db2.gz VXNCRFHUZDLINH-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000584199749 1031924088 /nfs/dbraw/zinc/92/40/88/1031924088.db2.gz VXNCRFHUZDLINH-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000584199749 1031924093 /nfs/dbraw/zinc/92/40/93/1031924093.db2.gz VXNCRFHUZDLINH-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000584199749 1031924101 /nfs/dbraw/zinc/92/41/01/1031924101.db2.gz VXNCRFHUZDLINH-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231247 1031977681 /nfs/dbraw/zinc/97/76/81/1031977681.db2.gz JLFVCQVKXVDPSI-RTWAWAEBSA-N 2 1 342.527 3.978 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCOCC1 ZINC000584231247 1031977693 /nfs/dbraw/zinc/97/76/93/1031977693.db2.gz JLFVCQVKXVDPSI-RTWAWAEBSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918910 1032002581 /nfs/dbraw/zinc/00/25/81/1032002581.db2.gz VVMVUIOQULACIC-LAUBAEHRSA-N 2 1 342.458 3.705 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000537918910 1032002598 /nfs/dbraw/zinc/00/25/98/1032002598.db2.gz VVMVUIOQULACIC-LAUBAEHRSA-N 2 1 342.458 3.705 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OCc1cccs1 ZINC000904406211 1032022132 /nfs/dbraw/zinc/02/21/32/1032022132.db2.gz UOEFBWDVEHSLCE-HNNXBMFYSA-N 2 1 346.496 3.506 20 0 EHADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000595035624 1033655461 /nfs/dbraw/zinc/65/54/61/1033655461.db2.gz YIJCUKZHJBLRNG-YESZJQIVSA-N 2 1 338.536 3.597 20 0 EHADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000595035621 1033655615 /nfs/dbraw/zinc/65/56/15/1033655615.db2.gz YIJCUKZHJBLRNG-BBWFWOEESA-N 2 1 338.536 3.597 20 0 EHADMP CC(C)[NH+]1CCC(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289589532 1033705238 /nfs/dbraw/zinc/70/52/38/1033705238.db2.gz AVQNCZNPTWZBLM-OAQYLSRUSA-N 2 1 343.559 3.751 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289589532 1033705251 /nfs/dbraw/zinc/70/52/51/1033705251.db2.gz AVQNCZNPTWZBLM-OAQYLSRUSA-N 3 1 343.559 3.751 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289589532 1033705261 /nfs/dbraw/zinc/70/52/61/1033705261.db2.gz AVQNCZNPTWZBLM-OAQYLSRUSA-N 3 1 343.559 3.751 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685665191 1033715718 /nfs/dbraw/zinc/71/57/18/1033715718.db2.gz IRXDFGXAPAWTQF-LPHOPBHVSA-N 2 1 326.488 3.671 20 0 EHADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665191 1033715725 /nfs/dbraw/zinc/71/57/25/1033715725.db2.gz IRXDFGXAPAWTQF-LPHOPBHVSA-N 2 1 326.488 3.671 20 0 EHADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000550608412 1033724637 /nfs/dbraw/zinc/72/46/37/1033724637.db2.gz GKNBXXLGDCXPFA-FQEVSTJZSA-N 2 1 328.500 3.721 20 0 EHADMP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348169 1033725796 /nfs/dbraw/zinc/72/57/96/1033725796.db2.gz ZFZSDXXXJOETGW-MJGOQNOKSA-N 2 1 329.513 3.624 20 0 EHADMP Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cs1 ZINC000472348169 1033725809 /nfs/dbraw/zinc/72/58/09/1033725809.db2.gz ZFZSDXXXJOETGW-MJGOQNOKSA-N 2 1 329.513 3.624 20 0 EHADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000658061605 1033875890 /nfs/dbraw/zinc/87/58/90/1033875890.db2.gz UMTPCEJHIHJJSX-ARDNKUOLSA-N 2 1 342.527 3.834 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@@H]1c1ccccc1 ZINC000550702769 1033894242 /nfs/dbraw/zinc/89/42/42/1033894242.db2.gz CDPNNQBBVGOLSG-QZTJIDSGSA-N 2 1 345.874 3.539 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@@H]1c1ccccc1 ZINC000550702769 1033894257 /nfs/dbraw/zinc/89/42/57/1033894257.db2.gz CDPNNQBBVGOLSG-QZTJIDSGSA-N 2 1 345.874 3.539 20 0 EHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143651 1033989908 /nfs/dbraw/zinc/98/99/08/1033989908.db2.gz ZQSKHIKFHLMDAS-NPPFBWRTSA-N 2 1 338.495 3.535 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(F)cn3)c2)CC1 ZINC000529539128 1034140035 /nfs/dbraw/zinc/14/00/35/1034140035.db2.gz SQLORIOADZJYCK-UHFFFAOYSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658320210 1034193584 /nfs/dbraw/zinc/19/35/84/1034193584.db2.gz RPPUCEVYALYPRC-RXVVDRJESA-N 2 1 342.527 3.693 20 0 EHADMP COCCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319949 1034196977 /nfs/dbraw/zinc/19/69/77/1034196977.db2.gz KCLXLRHPZKKHFW-QUCCMNQESA-N 2 1 330.516 3.693 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686674 1034276767 /nfs/dbraw/zinc/27/67/67/1034276767.db2.gz VGQUUMIGCCBAAR-VMXMFDLUSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686674 1034276780 /nfs/dbraw/zinc/27/67/80/1034276780.db2.gz VGQUUMIGCCBAAR-VMXMFDLUSA-N 2 1 330.516 3.959 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686674 1034276791 /nfs/dbraw/zinc/27/67/91/1034276791.db2.gz VGQUUMIGCCBAAR-VMXMFDLUSA-N 2 1 330.516 3.959 20 0 EHADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388744 1034358569 /nfs/dbraw/zinc/35/85/69/1034358569.db2.gz NIFZNSFBKUCUAK-QUCCMNQESA-N 2 1 337.511 3.613 20 0 EHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388742 1034359200 /nfs/dbraw/zinc/35/92/00/1034359200.db2.gz NIFZNSFBKUCUAK-ICSRJNTNSA-N 2 1 337.511 3.613 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329365 1034403478 /nfs/dbraw/zinc/40/34/78/1034403478.db2.gz NOXXCYSXEINTKG-KBPBESRZSA-N 2 1 340.870 3.631 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448224829 1034416568 /nfs/dbraw/zinc/41/65/68/1034416568.db2.gz TYIPVIMASTVEMI-UHFFFAOYSA-N 2 1 340.515 3.816 20 0 EHADMP CCN(CC)c1ncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000534347780 1034422527 /nfs/dbraw/zinc/42/25/27/1034422527.db2.gz AHRYOEIDDONAAL-UHFFFAOYSA-N 2 1 338.565 3.542 20 0 EHADMP CCCOc1ncccc1C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340198043 1034462512 /nfs/dbraw/zinc/46/25/12/1034462512.db2.gz ACQDRZSEBUPMLB-PMACEKPBSA-N 2 1 339.483 3.796 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257373 1034481539 /nfs/dbraw/zinc/48/15/39/1034481539.db2.gz WFDSRICLLYINMB-HSALFYBXSA-N 2 1 340.515 3.913 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257373 1034481531 /nfs/dbraw/zinc/48/15/31/1034481531.db2.gz WFDSRICLLYINMB-HSALFYBXSA-N 2 1 340.515 3.913 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(CO)c2)cc1F ZINC000121443659 1034952720 /nfs/dbraw/zinc/95/27/20/1034952720.db2.gz KZQZQYCVFMMCNM-AWEZNQCLSA-N 2 1 339.414 3.663 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343824453 1034971301 /nfs/dbraw/zinc/97/13/01/1034971301.db2.gz YOCMESQSNYMBOU-ZJUUUORDSA-N 2 1 332.395 3.654 20 0 EHADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375964387 1035025883 /nfs/dbraw/zinc/02/58/83/1035025883.db2.gz XABJEXHFPPSNCD-PWRODBHTSA-N 2 1 330.516 3.693 20 0 EHADMP COC[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548992732 1035408348 /nfs/dbraw/zinc/40/83/48/1035408348.db2.gz BDIWRCQVVHJOPE-QKHUXGNCSA-N 2 1 336.907 3.878 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc3ccccc3c2)[C@H](C)C1 ZINC000429785724 1035521919 /nfs/dbraw/zinc/52/19/19/1035521919.db2.gz RYIVWSIFFGGCMV-DYESRHJHSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc3ccccc3c2)[C@H](C)C1 ZINC000429785724 1035521929 /nfs/dbraw/zinc/52/19/29/1035521929.db2.gz RYIVWSIFFGGCMV-DYESRHJHSA-N 2 1 326.484 3.881 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc3ccccc3c2)[C@H](C)C1 ZINC000429785724 1035521941 /nfs/dbraw/zinc/52/19/41/1035521941.db2.gz RYIVWSIFFGGCMV-DYESRHJHSA-N 2 1 326.484 3.881 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000282448909 1035794917 /nfs/dbraw/zinc/79/49/17/1035794917.db2.gz NQMYBUSVFNWSJN-HKBOAZHASA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000282448909 1035794934 /nfs/dbraw/zinc/79/49/34/1035794934.db2.gz NQMYBUSVFNWSJN-HKBOAZHASA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282448909 1035794944 /nfs/dbraw/zinc/79/49/44/1035794944.db2.gz NQMYBUSVFNWSJN-HKBOAZHASA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000282448909 1035794951 /nfs/dbraw/zinc/79/49/51/1035794951.db2.gz NQMYBUSVFNWSJN-HKBOAZHASA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282448909 1035794960 /nfs/dbraw/zinc/79/49/60/1035794960.db2.gz NQMYBUSVFNWSJN-HKBOAZHASA-N 3 1 341.543 3.504 20 0 EHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647506262 1035816085 /nfs/dbraw/zinc/81/60/85/1035816085.db2.gz ZOWUPWUDUUDYJV-QGZVFWFLSA-N 2 1 340.471 3.639 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCSc2ccncc2)C1 ZINC000929646476 1035847523 /nfs/dbraw/zinc/84/75/23/1035847523.db2.gz LZZAKXCYIDRSHO-QZTJIDSGSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCSc2ccncc2)C1 ZINC000929646476 1035847542 /nfs/dbraw/zinc/84/75/42/1035847542.db2.gz LZZAKXCYIDRSHO-QZTJIDSGSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCSc2ccncc2)C1 ZINC000929646476 1035847562 /nfs/dbraw/zinc/84/75/62/1035847562.db2.gz LZZAKXCYIDRSHO-QZTJIDSGSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCSc2ccncc2)C1 ZINC000929646476 1035847575 /nfs/dbraw/zinc/84/75/75/1035847575.db2.gz LZZAKXCYIDRSHO-QZTJIDSGSA-N 2 1 333.545 3.760 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169867 1035869932 /nfs/dbraw/zinc/86/99/32/1035869932.db2.gz BQRISIYQFUHEOA-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000414177033 1035911338 /nfs/dbraw/zinc/91/13/38/1035911338.db2.gz IUKKOVDPEZGDCG-CZUORRHYSA-N 2 1 341.421 3.799 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000414183914 1035941764 /nfs/dbraw/zinc/94/17/64/1035941764.db2.gz OATXSAJMUQFXQN-IAGOWNOFSA-N 2 1 334.504 3.867 20 0 EHADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000572253501 1036033277 /nfs/dbraw/zinc/03/32/77/1036033277.db2.gz XVETYDJSMZRXIK-MJGOQNOKSA-N 2 1 339.483 3.589 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414211639 1036085503 /nfs/dbraw/zinc/08/55/03/1036085503.db2.gz VQSJAYFYUFUBIZ-FYZZASKESA-N 2 1 330.516 3.549 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414225162 1036163682 /nfs/dbraw/zinc/16/36/82/1036163682.db2.gz BADMSCWRICCNMD-IGGJEDBVSA-N 2 1 330.516 3.690 20 0 EHADMP COc1cccc(C[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168389558 1036368440 /nfs/dbraw/zinc/36/84/40/1036368440.db2.gz RJWDIHNYOHAGNM-HXUWFJFHSA-N 2 1 342.527 3.824 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000572630206 1036457481 /nfs/dbraw/zinc/45/74/81/1036457481.db2.gz DXAKJOFRQYIVBZ-CYBMUJFWSA-N 2 1 330.501 3.826 20 0 EHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192034734 1036460365 /nfs/dbraw/zinc/46/03/65/1036460365.db2.gz CNSWIAMMXCRQSQ-HXUWFJFHSA-N 3 1 338.499 3.631 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCO[C@H](C)C3)C2)s1 ZINC000572768873 1036513908 /nfs/dbraw/zinc/51/39/08/1036513908.db2.gz JALDZGACXOHAIG-BPQIPLTHSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCO[C@H](C)C3)C2)s1 ZINC000572768873 1036513922 /nfs/dbraw/zinc/51/39/22/1036513922.db2.gz JALDZGACXOHAIG-BPQIPLTHSA-N 2 1 336.545 3.625 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCO[C@H](C)C3)C2)s1 ZINC000572768873 1036513937 /nfs/dbraw/zinc/51/39/37/1036513937.db2.gz JALDZGACXOHAIG-BPQIPLTHSA-N 2 1 336.545 3.625 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000398112341 1036520789 /nfs/dbraw/zinc/52/07/89/1036520789.db2.gz OEJSGUPOMTYXCM-FYZZASKESA-N 2 1 342.527 3.834 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000398112341 1036520802 /nfs/dbraw/zinc/52/08/02/1036520802.db2.gz OEJSGUPOMTYXCM-FYZZASKESA-N 2 1 342.527 3.834 20 0 EHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)s1 ZINC000541742639 1036611541 /nfs/dbraw/zinc/61/15/41/1036611541.db2.gz IHNCMXQQNDGEPH-DOTOQJQBSA-N 2 1 330.497 3.522 20 0 EHADMP Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001168396916 1036723222 /nfs/dbraw/zinc/72/32/22/1036723222.db2.gz JVWGMBFDRODJPW-JOCHJYFZSA-N 2 1 338.470 3.937 20 0 EHADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000310087762 1036771136 /nfs/dbraw/zinc/77/11/36/1036771136.db2.gz OWCYZQMOEZMDOW-UWJYYQICSA-N 2 1 340.898 3.919 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000648470890 1036781559 /nfs/dbraw/zinc/78/15/59/1036781559.db2.gz YNYGEZRVTKLIIY-ZVXZJYCBSA-N 2 1 330.516 3.690 20 0 EHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC000177298295 1036811716 /nfs/dbraw/zinc/81/17/16/1036811716.db2.gz RJNRERFCMJHWET-GOSISDBHSA-N 2 1 339.527 3.764 20 0 EHADMP CCC[NH+](CCC)CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000590302565 1036818063 /nfs/dbraw/zinc/81/80/63/1036818063.db2.gz TVVJZXOEOFCZDL-UHFFFAOYSA-N 2 1 340.895 3.713 20 0 EHADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)c1 ZINC000462363711 1036886343 /nfs/dbraw/zinc/88/63/43/1036886343.db2.gz ZWPCBIIDYAHFDH-QFIPXVFZSA-N 2 1 338.495 3.517 20 0 EHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414351077 1036888217 /nfs/dbraw/zinc/88/82/17/1036888217.db2.gz VAXGVDSULQHARQ-UHFFFAOYSA-N 2 1 344.421 3.604 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310867245 1036917106 /nfs/dbraw/zinc/91/71/06/1036917106.db2.gz SPOJPQXMTKHHLC-SJLPKXTDSA-N 2 1 342.458 3.835 20 0 EHADMP COc1ccc(F)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310867245 1036917121 /nfs/dbraw/zinc/91/71/21/1036917121.db2.gz SPOJPQXMTKHHLC-SJLPKXTDSA-N 2 1 342.458 3.835 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)C[NH+]1CCCC1 ZINC000311730489 1037030292 /nfs/dbraw/zinc/03/02/92/1037030292.db2.gz QHJFDJMYZYNEPU-DGCLKSJQSA-N 2 1 343.334 3.819 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4COc5ccccc54)[C@@H]3C2)cc1 ZINC000311835389 1037043949 /nfs/dbraw/zinc/04/39/49/1037043949.db2.gz PTGNTMFWURDLBQ-MPJJRAAHSA-N 2 1 348.490 3.663 20 0 EHADMP C[N@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000423283818 1037199566 /nfs/dbraw/zinc/19/95/66/1037199566.db2.gz WILGWPXCXQVOPR-NHCUHLMSSA-N 2 1 329.532 3.724 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277884 1037235884 /nfs/dbraw/zinc/23/58/84/1037235884.db2.gz CVCGXJRAXGRCGP-MSOLQXFVSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277884 1037235902 /nfs/dbraw/zinc/23/59/02/1037235902.db2.gz CVCGXJRAXGRCGP-MSOLQXFVSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277884 1037235913 /nfs/dbraw/zinc/23/59/13/1037235913.db2.gz CVCGXJRAXGRCGP-MSOLQXFVSA-N 2 1 338.536 3.695 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000542277884 1037235931 /nfs/dbraw/zinc/23/59/31/1037235931.db2.gz CVCGXJRAXGRCGP-MSOLQXFVSA-N 2 1 338.536 3.695 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000539849981 1037281905 /nfs/dbraw/zinc/28/19/05/1037281905.db2.gz APDQGCMPCRCPHT-UHFFFAOYSA-N 2 1 334.895 3.542 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494654 1037541765 /nfs/dbraw/zinc/54/17/65/1037541765.db2.gz QILBFNBVCQQFMK-VQIMIIECSA-N 2 1 336.545 3.755 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCOCC1 ZINC000532494654 1037541778 /nfs/dbraw/zinc/54/17/78/1037541778.db2.gz QILBFNBVCQQFMK-VQIMIIECSA-N 2 1 336.545 3.755 20 0 EHADMP CC1CCC(Oc2cc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)ccn2)CC1 ZINC000532511304 1037554210 /nfs/dbraw/zinc/55/42/10/1037554210.db2.gz ROUVWLYGQMLKKX-XGVWBKLPSA-N 2 1 345.531 3.857 20 0 EHADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)ccn2)CC1 ZINC000532511304 1037554216 /nfs/dbraw/zinc/55/42/16/1037554216.db2.gz ROUVWLYGQMLKKX-XGVWBKLPSA-N 2 1 345.531 3.857 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000669419107 1037596722 /nfs/dbraw/zinc/59/67/22/1037596722.db2.gz RLHXFYUFCDPSCX-RYQLBKOJSA-N 2 1 336.545 3.719 20 0 EHADMP C[C@@H]1C[C@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463069045 1037732557 /nfs/dbraw/zinc/73/25/57/1037732557.db2.gz UTYBJQDSZOIELJ-TZIWHRDSSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[C@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069045 1037732574 /nfs/dbraw/zinc/73/25/74/1037732574.db2.gz UTYBJQDSZOIELJ-TZIWHRDSSA-N 2 1 343.559 3.894 20 0 EHADMP C[C@@H]1C[C@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000463069045 1037732592 /nfs/dbraw/zinc/73/25/92/1037732592.db2.gz UTYBJQDSZOIELJ-TZIWHRDSSA-N 2 1 343.559 3.894 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c2C1 ZINC000573688235 1037742995 /nfs/dbraw/zinc/74/29/95/1037742995.db2.gz QZKZXZUMPVMXDX-BEFAXECRSA-N 2 1 331.504 3.606 20 0 EHADMP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000463148373 1037813778 /nfs/dbraw/zinc/81/37/78/1037813778.db2.gz SDHGOWJTLXTHNQ-PMACEKPBSA-N 2 1 343.559 3.546 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4C[C@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463204421 1037872818 /nfs/dbraw/zinc/87/28/18/1037872818.db2.gz JIYLGSNUCXKEFK-WZYRSQIMSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4C[C@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463204421 1037872831 /nfs/dbraw/zinc/87/28/31/1037872831.db2.gz JIYLGSNUCXKEFK-WZYRSQIMSA-N 2 1 332.491 3.996 20 0 EHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4C[C@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463204421 1037872844 /nfs/dbraw/zinc/87/28/44/1037872844.db2.gz JIYLGSNUCXKEFK-WZYRSQIMSA-N 2 1 332.491 3.996 20 0 EHADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CC1 ZINC000540395046 1037888354 /nfs/dbraw/zinc/88/83/54/1037888354.db2.gz HGVSRDDAIXZDHG-KSZLIROESA-N 2 1 330.516 3.584 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000173325165 1038030016 /nfs/dbraw/zinc/03/00/16/1038030016.db2.gz BYHMTHWKXXONMU-IRXDYDNUSA-N 2 1 334.504 3.867 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125058008 1038274309 /nfs/dbraw/zinc/27/43/09/1038274309.db2.gz ATWAZKKFLAJQSE-RXVVDRJESA-N 3 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000125058008 1038274317 /nfs/dbraw/zinc/27/43/17/1038274317.db2.gz ATWAZKKFLAJQSE-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@@H+]1C ZINC000125058008 1038274328 /nfs/dbraw/zinc/27/43/28/1038274328.db2.gz ATWAZKKFLAJQSE-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP C[C@H]1C[C@@H](NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000125058008 1038274342 /nfs/dbraw/zinc/27/43/42/1038274342.db2.gz ATWAZKKFLAJQSE-RXVVDRJESA-N 2 1 329.532 3.635 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000125511897 1038339226 /nfs/dbraw/zinc/33/92/26/1038339226.db2.gz PIDKJXDTSCBIJG-UWVAXJGDSA-N 2 1 327.472 3.822 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000125511897 1038339240 /nfs/dbraw/zinc/33/92/40/1038339240.db2.gz PIDKJXDTSCBIJG-UWVAXJGDSA-N 2 1 327.472 3.822 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COCc5ccccc54)[C@@H]3C2)cc1 ZINC000388726928 1038464429 /nfs/dbraw/zinc/46/44/29/1038464429.db2.gz JQOHUMLKMMXNND-OUFMZXHOSA-N 2 1 348.490 3.758 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COCc5ccccc54)[C@@H]3C2)cc1 ZINC000388726928 1038464433 /nfs/dbraw/zinc/46/44/33/1038464433.db2.gz JQOHUMLKMMXNND-OUFMZXHOSA-N 2 1 348.490 3.758 20 0 EHADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC(F)F)c(F)c1 ZINC000538735537 1038499361 /nfs/dbraw/zinc/49/93/61/1038499361.db2.gz GTALXDDJIJARJF-CQSZACIVSA-N 2 1 330.394 3.733 20 0 EHADMP COc1cccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000659957611 1038507294 /nfs/dbraw/zinc/50/72/94/1038507294.db2.gz WFNOZWAQRXUDGY-KRWDZBQOSA-N 2 1 334.529 3.595 20 0 EHADMP COc1cccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000659957611 1038507298 /nfs/dbraw/zinc/50/72/98/1038507298.db2.gz WFNOZWAQRXUDGY-KRWDZBQOSA-N 2 1 334.529 3.595 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc3nccn32)C[N@H+]1Cc1ccccc1 ZINC000538753491 1038517945 /nfs/dbraw/zinc/51/79/45/1038517945.db2.gz QIVWOTNIVWFYAG-ICSRJNTNSA-N 2 1 348.494 3.725 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)CCC3)cc1 ZINC000643516338 1038611913 /nfs/dbraw/zinc/61/19/13/1038611913.db2.gz CIIRBRKASJXGAN-JKSUJKDBSA-N 2 1 343.496 3.523 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000539061403 1038661552 /nfs/dbraw/zinc/66/15/52/1038661552.db2.gz LXWPQYFJTSJMRD-ZNMIVQPWSA-N 2 1 342.936 3.820 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3N(C)C)CC2)C1 ZINC000539070167 1038670652 /nfs/dbraw/zinc/67/06/52/1038670652.db2.gz HOXINABUHWYVOG-YLJYHZDGSA-N 2 1 329.532 3.885 20 0 EHADMP Clc1ccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000485227990 1038787368 /nfs/dbraw/zinc/78/73/68/1038787368.db2.gz GQAYVYUSJIMGTC-UHFFFAOYSA-N 2 1 336.907 3.507 20 0 EHADMP Fc1cc(Br)ccc1[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000643521817 1038839136 /nfs/dbraw/zinc/83/91/36/1038839136.db2.gz CNTNPIRQGVGVQQ-BBRMVZONSA-N 2 1 341.268 3.771 20 0 EHADMP Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552048041 1038917130 /nfs/dbraw/zinc/91/71/30/1038917130.db2.gz FLJBKJBOVOXOFA-CEMLEFRQSA-N 2 1 337.511 3.806 20 0 EHADMP C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1n1ccnc1 ZINC000432732967 1038951096 /nfs/dbraw/zinc/95/10/96/1038951096.db2.gz YLVVHHWBTBQSGX-SWLSCSKDSA-N 2 1 330.432 3.715 20 0 EHADMP C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1n1ccnc1 ZINC000432732967 1038951108 /nfs/dbraw/zinc/95/11/08/1038951108.db2.gz YLVVHHWBTBQSGX-SWLSCSKDSA-N 2 1 330.432 3.715 20 0 EHADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000643527282 1039127703 /nfs/dbraw/zinc/12/77/03/1039127703.db2.gz KVAYXMXMXBHBOZ-UFBFGSQYSA-N 2 1 339.199 3.856 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)CCC2)cc1 ZINC000552283422 1039136758 /nfs/dbraw/zinc/13/67/58/1039136758.db2.gz CQITXBYPMQAQBT-VAMGGRTRSA-N 2 1 328.500 3.579 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000480080757 1039150181 /nfs/dbraw/zinc/15/01/81/1039150181.db2.gz AKAYZEQGXKQCKK-GHTZIAJQSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000480080757 1039150195 /nfs/dbraw/zinc/15/01/95/1039150195.db2.gz AKAYZEQGXKQCKK-GHTZIAJQSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518441 1039187341 /nfs/dbraw/zinc/18/73/41/1039187341.db2.gz IXBXBAZKCNANBM-KMKNWIINSA-N 2 1 342.527 3.692 20 0 EHADMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000432790365 1039198881 /nfs/dbraw/zinc/19/88/81/1039198881.db2.gz WGAUNMKCWLIBQV-GOSISDBHSA-N 2 1 341.543 3.982 20 0 EHADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1-c1cc(C)ccc1C ZINC000480158318 1039243169 /nfs/dbraw/zinc/24/31/69/1039243169.db2.gz IOCLIEDFOOSLLG-SFHVURJKSA-N 2 1 340.515 3.934 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000237600377 1039395366 /nfs/dbraw/zinc/39/53/66/1039395366.db2.gz IBUIDBASJJIHJE-CQSZACIVSA-N 2 1 326.469 3.741 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658570 1039415850 /nfs/dbraw/zinc/41/58/50/1039415850.db2.gz JSFAAAAPCCHWNU-UYAOXDASSA-N 2 1 346.515 3.551 20 0 EHADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000667658570 1039415856 /nfs/dbraw/zinc/41/58/56/1039415856.db2.gz JSFAAAAPCCHWNU-UYAOXDASSA-N 2 1 346.515 3.551 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc(C)c1O ZINC000554624749 1039539516 /nfs/dbraw/zinc/53/95/16/1039539516.db2.gz UMKLYPYRQBOAFA-UHFFFAOYSA-N 2 1 338.495 3.806 20 0 EHADMP Clc1cnccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310293589 1039638629 /nfs/dbraw/zinc/63/86/29/1039638629.db2.gz SBFGSODUGFNJGJ-MJGOQNOKSA-N 2 1 341.886 3.689 20 0 EHADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480539625 1039659572 /nfs/dbraw/zinc/65/95/72/1039659572.db2.gz VCKBJPZYYCBYHK-FCEUIQTBSA-N 2 1 343.559 3.607 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCCC1 ZINC000554840991 1039796047 /nfs/dbraw/zinc/79/60/47/1039796047.db2.gz LIHLKRJFPFIREW-OAQYLSRUSA-N 2 1 343.559 3.753 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000554840991 1039796066 /nfs/dbraw/zinc/79/60/66/1039796066.db2.gz LIHLKRJFPFIREW-OAQYLSRUSA-N 2 1 343.559 3.753 20 0 EHADMP CCC[NH+]1CCC(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152950073 1039814927 /nfs/dbraw/zinc/81/49/27/1039814927.db2.gz ZTVIAGGETUMEPU-NRFANRHFSA-N 2 1 329.532 3.505 20 0 EHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000554874121 1039870576 /nfs/dbraw/zinc/87/05/76/1039870576.db2.gz BJNQSLBLZRPSED-OXJNMPFZSA-N 2 1 344.499 3.606 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000480692833 1039895446 /nfs/dbraw/zinc/89/54/46/1039895446.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000480692833 1039895460 /nfs/dbraw/zinc/89/54/60/1039895460.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000480692833 1039895471 /nfs/dbraw/zinc/89/54/71/1039895471.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 3 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000480692833 1039895481 /nfs/dbraw/zinc/89/54/81/1039895481.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000480692833 1039895496 /nfs/dbraw/zinc/89/54/96/1039895496.db2.gz AOHZJELJHJBZIL-MOXWOTFGSA-N 2 1 343.559 3.594 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cncc(Br)c1 ZINC000569356913 1039996123 /nfs/dbraw/zinc/99/61/23/1039996123.db2.gz PKBOAGZVFANJIY-ZIAGYGMSSA-N 2 1 340.309 3.759 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cncc(Br)c1 ZINC000569356913 1039996129 /nfs/dbraw/zinc/99/61/29/1039996129.db2.gz PKBOAGZVFANJIY-ZIAGYGMSSA-N 2 1 340.309 3.759 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@H]2CCC[C@@H]21 ZINC000584830883 1040009043 /nfs/dbraw/zinc/00/90/43/1040009043.db2.gz VGRJSGZDLOTCEL-AABGKKOBSA-N 2 1 330.516 3.964 20 0 EHADMP COCCOc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000553538154 1040158020 /nfs/dbraw/zinc/15/80/20/1040158020.db2.gz VJWRPZMNOMIZMH-UHFFFAOYSA-N 2 1 346.515 3.599 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667785591 1040184856 /nfs/dbraw/zinc/18/48/56/1040184856.db2.gz UAASLULNNJZMAP-TYCQWZJGSA-N 2 1 328.500 3.718 20 0 EHADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)c1 ZINC000479399027 1040204119 /nfs/dbraw/zinc/20/41/19/1040204119.db2.gz VVBVZPPWSOUWIS-GHTZIAJQSA-N 2 1 332.532 3.866 20 0 EHADMP C[N@@H+](CCc1ccc(F)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000489875849 1040232562 /nfs/dbraw/zinc/23/25/62/1040232562.db2.gz AWTNUSNDVLVQDQ-LJQANCHMSA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1ccc(F)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000489875849 1040232579 /nfs/dbraw/zinc/23/25/79/1040232579.db2.gz AWTNUSNDVLVQDQ-LJQANCHMSA-N 2 1 344.449 3.961 20 0 EHADMP C[NH+](CCc1ccc(F)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000489875849 1040232595 /nfs/dbraw/zinc/23/25/95/1040232595.db2.gz AWTNUSNDVLVQDQ-LJQANCHMSA-N 2 1 344.449 3.961 20 0 EHADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441974 1040234421 /nfs/dbraw/zinc/23/44/21/1040234421.db2.gz BSJZRDBZFOREPR-UZKOGDIHSA-N 2 1 338.495 3.874 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030745 1040276050 /nfs/dbraw/zinc/27/60/50/1040276050.db2.gz BITAPKYYRNMTMK-AEFFLSMTSA-N 2 1 348.556 3.829 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039487 1040306244 /nfs/dbraw/zinc/30/62/44/1040306244.db2.gz RMSPVBPBSFOILH-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)C1 ZINC000481039487 1040306263 /nfs/dbraw/zinc/30/62/63/1040306263.db2.gz RMSPVBPBSFOILH-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000490151827 1040355994 /nfs/dbraw/zinc/35/59/94/1040355994.db2.gz SKTHYZCZUPVPDX-NRFANRHFSA-N 2 1 326.484 3.642 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000490151827 1040356004 /nfs/dbraw/zinc/35/60/04/1040356004.db2.gz SKTHYZCZUPVPDX-NRFANRHFSA-N 2 1 326.484 3.642 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CC4)[C@@H]3C2)cc1 ZINC000512648472 1040387142 /nfs/dbraw/zinc/38/71/42/1040387142.db2.gz NIUFBQVEQHBOCU-BDTNDASRSA-N 2 1 342.527 3.693 20 0 EHADMP c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3CCC3CC[NH2+]CC3)n2)cc1 ZINC000479671714 1040499097 /nfs/dbraw/zinc/49/90/97/1040499097.db2.gz AYWMLIAPNALYEL-SFHVURJKSA-N 2 1 340.471 3.653 20 0 EHADMP COC1(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000555380622 1040505891 /nfs/dbraw/zinc/50/58/91/1040505891.db2.gz ZTIFPJWFVQJSQO-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380622 1040505912 /nfs/dbraw/zinc/50/59/12/1040505912.db2.gz ZTIFPJWFVQJSQO-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP COC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000555380622 1040505932 /nfs/dbraw/zinc/50/59/32/1040505932.db2.gz ZTIFPJWFVQJSQO-RTWAWAEBSA-N 2 1 342.527 3.932 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc(Cl)c1O ZINC000500122662 1040560794 /nfs/dbraw/zinc/56/07/94/1040560794.db2.gz ORUNNNHSCHHVAL-CQSZACIVSA-N 2 1 340.895 3.798 20 0 EHADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc(Cl)c1O ZINC000500122662 1040560804 /nfs/dbraw/zinc/56/08/04/1040560804.db2.gz ORUNNNHSCHHVAL-CQSZACIVSA-N 2 1 340.895 3.798 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000411395457 1040799974 /nfs/dbraw/zinc/79/99/74/1040799974.db2.gz IDHXBWFEKRBXJZ-VXKWHMMOSA-N 2 1 342.527 3.921 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875180 1040952875 /nfs/dbraw/zinc/95/28/75/1040952875.db2.gz WAGHCUQZHPLNLR-OXJNMPFZSA-N 2 1 348.556 3.755 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)c1 ZINC000924875180 1040952894 /nfs/dbraw/zinc/95/28/94/1040952894.db2.gz WAGHCUQZHPLNLR-OXJNMPFZSA-N 2 1 348.556 3.755 20 0 EHADMP Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC000390558290 1040991729 /nfs/dbraw/zinc/99/17/29/1040991729.db2.gz AAENFOQTLNPKFT-HXUWFJFHSA-N 2 1 342.458 3.515 20 0 EHADMP C[C@H]1C[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)C[C@H](C)O1 ZINC000253603001 1040994532 /nfs/dbraw/zinc/99/45/32/1040994532.db2.gz HPIKMEQMPULLEJ-KBPBESRZSA-N 2 1 333.863 3.799 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)c1 ZINC000924875750 1041003896 /nfs/dbraw/zinc/00/38/96/1041003896.db2.gz XKRWACNWUYMPOA-XYTVBORESA-N 2 1 336.570 3.976 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)c1 ZINC000924875750 1041003911 /nfs/dbraw/zinc/00/39/11/1041003911.db2.gz XKRWACNWUYMPOA-XYTVBORESA-N 2 1 336.570 3.976 20 0 EHADMP CCN(Cc1cc(O)cc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473141076 1042290306 /nfs/dbraw/zinc/29/03/06/1042290306.db2.gz NZJSJYRELLWGQJ-SFHVURJKSA-N 2 1 342.458 3.875 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)C1 ZINC000652348890 1042408909 /nfs/dbraw/zinc/40/89/09/1042408909.db2.gz UQSQSOFDUKTKLB-VSKRKVRLSA-N 2 1 338.495 3.601 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662150794 1042546243 /nfs/dbraw/zinc/54/62/43/1042546243.db2.gz BBZLSCOQUSOREG-UZLBHIALSA-N 2 1 330.516 3.576 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662150794 1042546248 /nfs/dbraw/zinc/54/62/48/1042546248.db2.gz BBZLSCOQUSOREG-UZLBHIALSA-N 2 1 330.516 3.576 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000796702909 1042560341 /nfs/dbraw/zinc/56/03/41/1042560341.db2.gz QLBWKFJNCDSUSO-FDFHNCONSA-N 2 1 341.543 3.682 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC1CCCC1 ZINC000165123364 1042619928 /nfs/dbraw/zinc/61/99/28/1042619928.db2.gz KGEODBHWMMLHRY-RDJZCZTQSA-N 2 1 332.488 3.589 20 0 EHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC1CCCC1 ZINC000165123364 1042619932 /nfs/dbraw/zinc/61/99/32/1042619932.db2.gz KGEODBHWMMLHRY-RDJZCZTQSA-N 2 1 332.488 3.589 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000278860994 1042625309 /nfs/dbraw/zinc/62/53/09/1042625309.db2.gz WILNMTPAPVFKGD-YXIAPDDASA-N 2 1 342.527 3.975 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccnc1Cl ZINC000165172036 1042652633 /nfs/dbraw/zinc/65/26/33/1042652633.db2.gz IRSIQNQDUFOKEB-HNNXBMFYSA-N 2 1 347.890 3.916 20 0 EHADMP CC(C)C[C@@H](C)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326890 1042689482 /nfs/dbraw/zinc/68/94/82/1042689482.db2.gz GKLPEYDSHHIZRD-MRXNPFEDSA-N 2 1 332.536 3.738 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000221917280 1042713432 /nfs/dbraw/zinc/71/34/32/1042713432.db2.gz WJRGVSRCWSZOKW-KRWDZBQOSA-N 2 1 339.321 3.626 20 0 EHADMP CC(C)[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000511979463 1042825686 /nfs/dbraw/zinc/82/56/86/1042825686.db2.gz WQGTVMXTMVPCAB-QGZVFWFLSA-N 2 1 331.529 3.809 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1F ZINC000343920971 1042834529 /nfs/dbraw/zinc/83/45/29/1042834529.db2.gz DKDDAUWMCOBTCB-GOSISDBHSA-N 2 1 349.425 3.541 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464176 1042885382 /nfs/dbraw/zinc/88/53/82/1042885382.db2.gz DBZOHAMBXAZEBP-WMZOPIPTSA-N 2 1 330.520 3.771 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C2CCCC2)c1 ZINC000663464176 1042885389 /nfs/dbraw/zinc/88/53/89/1042885389.db2.gz DBZOHAMBXAZEBP-WMZOPIPTSA-N 2 1 330.520 3.771 20 0 EHADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000278911686 1042920319 /nfs/dbraw/zinc/92/03/19/1042920319.db2.gz GXGCPMRPZAUKII-IUODEOHRSA-N 2 1 333.888 3.926 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3ccccc3)c2)CCCO1 ZINC000432356022 1043017936 /nfs/dbraw/zinc/01/79/36/1043017936.db2.gz AXPQCMBMMMNOEV-LJQANCHMSA-N 2 1 338.495 3.944 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CCC2)cc1 ZINC000432412623 1043115506 /nfs/dbraw/zinc/11/55/06/1043115506.db2.gz CIRMTSKCPINFAH-RXVVDRJESA-N 2 1 330.516 3.927 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC001167841688 1043128559 /nfs/dbraw/zinc/12/85/59/1043128559.db2.gz OZGFXUWLRDDFNZ-FUHWJXTLSA-N 2 1 348.531 3.786 20 0 EHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418366 1043139738 /nfs/dbraw/zinc/13/97/38/1043139738.db2.gz RLLMAEFXGFZFKF-KXBFYZLASA-N 2 1 336.907 3.882 20 0 EHADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1(C)C ZINC000344052204 1043163969 /nfs/dbraw/zinc/16/39/69/1043163969.db2.gz JUQNHJDEBDBJQZ-MSOLQXFVSA-N 2 1 331.435 3.613 20 0 EHADMP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000279047335 1043254250 /nfs/dbraw/zinc/25/42/50/1043254250.db2.gz XSDGPOJRRRKANV-KKSFZXQISA-N 2 1 339.483 3.975 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)C1 ZINC000344244262 1043507269 /nfs/dbraw/zinc/50/72/69/1043507269.db2.gz JVAOLHPMEYJPBM-MBPVOVBZSA-N 2 1 343.515 3.544 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000163231806 1043918425 /nfs/dbraw/zinc/91/84/25/1043918425.db2.gz LFIGHJADEYSEDZ-IRXDYDNUSA-N 2 1 333.501 3.621 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000163231806 1043918432 /nfs/dbraw/zinc/91/84/32/1043918432.db2.gz LFIGHJADEYSEDZ-IRXDYDNUSA-N 2 1 333.501 3.621 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000344691188 1044300359 /nfs/dbraw/zinc/30/03/59/1044300359.db2.gz XLTZIMARXUFHQC-AEFFLSMTSA-N 2 1 334.504 3.692 20 0 EHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000344691188 1044300372 /nfs/dbraw/zinc/30/03/72/1044300372.db2.gz XLTZIMARXUFHQC-AEFFLSMTSA-N 2 1 334.504 3.692 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCCO4)[C@H]3C2)cc1 ZINC000512297692 1044564231 /nfs/dbraw/zinc/56/42/31/1044564231.db2.gz ZXOPCKLLCMJFES-LRSLUSHPSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@@H+](C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000153840661 1125666512 /nfs/dbraw/zinc/66/65/12/1125666512.db2.gz MFNGZYXXJAJMNY-HBFSDRIKSA-N 2 1 329.532 3.580 20 0 EHADMP Cc1cc2cc([C@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)oc2cc1C ZINC000154355866 1125714204 /nfs/dbraw/zinc/71/42/04/1125714204.db2.gz XDLQYKMEXIMMSA-SFHVURJKSA-N 2 1 343.515 3.728 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623343956 1126922700 /nfs/dbraw/zinc/92/27/00/1126922700.db2.gz QUMPAEQFQGBIEF-LJQANCHMSA-N 2 1 349.950 3.767 20 0 EHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376930 1126936738 /nfs/dbraw/zinc/93/67/38/1126936738.db2.gz IIVSVLHFPIMCHE-BBRMVZONSA-N 2 1 339.321 3.843 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623413299 1126947973 /nfs/dbraw/zinc/94/79/73/1126947973.db2.gz QVOWWFCBCNZSIB-HNNXBMFYSA-N 2 1 325.294 3.720 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623422227 1126950839 /nfs/dbraw/zinc/95/08/39/1126950839.db2.gz NKQLVEBYPSDARB-XLIONFOSSA-N 3 1 329.532 3.674 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486693 1126965300 /nfs/dbraw/zinc/96/53/00/1126965300.db2.gz DCVOMNDATLJTNU-KBPBESRZSA-N 2 1 339.886 3.520 20 0 EHADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515961 1126973278 /nfs/dbraw/zinc/97/32/78/1126973278.db2.gz XUEJOPPDXARWIQ-PMACEKPBSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515961 1126973279 /nfs/dbraw/zinc/97/32/79/1126973279.db2.gz XUEJOPPDXARWIQ-PMACEKPBSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515961 1126973282 /nfs/dbraw/zinc/97/32/82/1126973282.db2.gz XUEJOPPDXARWIQ-PMACEKPBSA-N 3 1 343.559 3.750 20 0 EHADMP Cc1ccc(-c2nc(CNC[C@@H]3CCCC[N@H+](C)C3)cs2)cc1 ZINC000623656352 1127005981 /nfs/dbraw/zinc/00/59/81/1127005981.db2.gz SIECZCGGPPDOCX-INIZCTEOSA-N 2 1 329.513 3.940 20 0 EHADMP C[N@H+]1CCCC[C@@H](CNCc2cc(Cl)ccc2OC(F)F)C1 ZINC000623655686 1127006064 /nfs/dbraw/zinc/00/60/64/1127006064.db2.gz BVYFQMPPXMNWIP-LBPRGKRZSA-N 2 1 332.822 3.763 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000623655686 1127006066 /nfs/dbraw/zinc/00/60/66/1127006066.db2.gz BVYFQMPPXMNWIP-LBPRGKRZSA-N 2 1 332.822 3.763 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000623655686 1127006071 /nfs/dbraw/zinc/00/60/71/1127006071.db2.gz BVYFQMPPXMNWIP-LBPRGKRZSA-N 2 1 332.822 3.763 20 0 EHADMP CCCC1CCC(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000180074366 1127117470 /nfs/dbraw/zinc/11/74/70/1127117470.db2.gz JMCFHEKZQUPOMH-CBNMVNINSA-N 2 1 335.580 3.695 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623881470 1127205697 /nfs/dbraw/zinc/20/56/97/1127205697.db2.gz OZXZLMYJACKBNH-KRWDZBQOSA-N 2 1 328.847 3.993 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867262 1127206204 /nfs/dbraw/zinc/20/62/04/1127206204.db2.gz VVDRQAORBWECAE-NEPJUHHUSA-N 2 1 349.828 3.616 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124110 1127256879 /nfs/dbraw/zinc/25/68/79/1127256879.db2.gz XJJYZESAFYQKRJ-XJKSGUPXSA-N 2 1 341.421 3.799 20 0 EHADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222602 1127397233 /nfs/dbraw/zinc/39/72/33/1127397233.db2.gz NQPLJUGPJSSVNT-SJLPKXTDSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222602 1127397235 /nfs/dbraw/zinc/39/72/35/1127397235.db2.gz NQPLJUGPJSSVNT-SJLPKXTDSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222602 1127397239 /nfs/dbraw/zinc/39/72/39/1127397239.db2.gz NQPLJUGPJSSVNT-SJLPKXTDSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000366222602 1127397244 /nfs/dbraw/zinc/39/72/44/1127397244.db2.gz NQPLJUGPJSSVNT-SJLPKXTDSA-N 2 1 327.447 3.784 20 0 EHADMP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566026 1127416830 /nfs/dbraw/zinc/41/68/30/1127416830.db2.gz GPQNYCMGGOVJAU-SXLOBPIMSA-N 2 1 336.479 3.663 20 0 EHADMP C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663787 1127429602 /nfs/dbraw/zinc/42/96/02/1127429602.db2.gz ISHAPCCFRARFIS-DLBZAZTESA-N 2 1 334.479 3.837 20 0 EHADMP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000381781108 1127492843 /nfs/dbraw/zinc/49/28/43/1127492843.db2.gz ZOCSJOZIOFMOAN-GBESFXJTSA-N 2 1 330.541 3.772 20 0 EHADMP Clc1ccc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000381932104 1127496853 /nfs/dbraw/zinc/49/68/53/1127496853.db2.gz XBJHFMPHISLMOW-TXEJJXNPSA-N 2 1 343.696 3.534 20 0 EHADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000386610221 1127705255 /nfs/dbraw/zinc/70/52/55/1127705255.db2.gz MMHRRIPVEQKYTO-VQIMIIECSA-N 2 1 342.458 3.835 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000114475686 1128412312 /nfs/dbraw/zinc/41/23/12/1128412312.db2.gz HSASINOEWZMQDE-OAHLLOKOSA-N 2 1 336.476 3.571 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC(F)F ZINC000623654786 1128448354 /nfs/dbraw/zinc/44/83/54/1128448354.db2.gz IZVIEHMOANPDMQ-OAHLLOKOSA-N 2 1 342.430 3.508 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000655850887 1128502406 /nfs/dbraw/zinc/50/24/06/1128502406.db2.gz ZPDDMCYQZSEYRP-AYWYSENESA-N 2 1 330.516 3.834 20 0 EHADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000172644747 1128763950 /nfs/dbraw/zinc/76/39/50/1128763950.db2.gz JHLAQJDRHVJMRX-OAHLLOKOSA-N 2 1 329.875 3.806 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000172644747 1128763952 /nfs/dbraw/zinc/76/39/52/1128763952.db2.gz JHLAQJDRHVJMRX-OAHLLOKOSA-N 2 1 329.875 3.806 20 0 EHADMP C[C@H](CC[NH2+]Cc1cccc2[nH]c(=O)oc21)[N@H+](C)Cc1ccccc1 ZINC000921811410 1128781783 /nfs/dbraw/zinc/78/17/83/1128781783.db2.gz NHJPHRCTVHYJFN-OAHLLOKOSA-N 2 1 339.439 3.534 20 0 EHADMP C[C@H](CC[NH2+]Cc1cccc2[nH]c(=O)oc21)[N@@H+](C)Cc1ccccc1 ZINC000921811410 1128781787 /nfs/dbraw/zinc/78/17/87/1128781787.db2.gz NHJPHRCTVHYJFN-OAHLLOKOSA-N 2 1 339.439 3.534 20 0 EHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCCC[C@@H]1O ZINC001168675257 1128787796 /nfs/dbraw/zinc/78/77/96/1128787796.db2.gz DAIJAJLKYXOURC-SFTDATJTSA-N 2 1 330.516 3.655 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000510261288 1120041310 /nfs/dbraw/zinc/04/13/10/1120041310.db2.gz ORXNZRSHIWEKLR-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000510261288 1120041315 /nfs/dbraw/zinc/04/13/15/1120041315.db2.gz ORXNZRSHIWEKLR-UHFFFAOYSA-N 2 1 345.531 3.686 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC001648813837 1120046704 /nfs/dbraw/zinc/04/67/04/1120046704.db2.gz BJISJSCEKCZTQD-ROUUACIJSA-N 2 1 346.515 3.696 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC001648933544 1120238605 /nfs/dbraw/zinc/23/86/05/1120238605.db2.gz ZEORWCORDDTELE-UHFFFAOYSA-N 2 1 326.431 3.685 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193981576 1120813968 /nfs/dbraw/zinc/81/39/68/1120813968.db2.gz PTNJEEYYMXCJDB-SJCJKPOMSA-N 2 1 348.288 3.867 20 0 EHADMP CC[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670114307 1120883697 /nfs/dbraw/zinc/88/36/97/1120883697.db2.gz JTWVJNJEJIGBLJ-MSEHENTLSA-N 2 1 336.907 3.614 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2C)C2CCCC2)CC1 ZINC000494929932 1120908723 /nfs/dbraw/zinc/90/87/23/1120908723.db2.gz MEOAJHRJBUQHNM-OAQYLSRUSA-N 2 1 330.516 3.927 20 0 EHADMP CCC(CC)(C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000495061221 1120940339 /nfs/dbraw/zinc/94/03/39/1120940339.db2.gz SHWBHSOUIFUIGD-FUHWJXTLSA-N 2 1 345.531 3.543 20 0 EHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000495076126 1120946001 /nfs/dbraw/zinc/94/60/01/1120946001.db2.gz XTEOTXFSXJAISU-QGZVFWFLSA-N 2 1 333.520 3.548 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000397314514 1121706362 /nfs/dbraw/zinc/70/63/62/1121706362.db2.gz KRXMUXSYVYLCLQ-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000397314514 1121706365 /nfs/dbraw/zinc/70/63/65/1121706365.db2.gz KRXMUXSYVYLCLQ-NFAWXSAZSA-N 2 1 333.863 3.800 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)C1 ZINC000262537403 1121922046 /nfs/dbraw/zinc/92/20/46/1121922046.db2.gz QNNGRDSRUGEFTA-ZBFHGGJFSA-N 2 1 326.431 3.541 20 0 EHADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398022647 1121960506 /nfs/dbraw/zinc/96/05/06/1121960506.db2.gz AUWCZZPQLCMDEH-XMSQKQJNSA-N 2 1 338.495 3.833 20 0 EHADMP C[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000398017113 1121961273 /nfs/dbraw/zinc/96/12/73/1121961273.db2.gz RONUMQILCFAVEU-CIAFKFPVSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000398017113 1121961276 /nfs/dbraw/zinc/96/12/76/1121961276.db2.gz RONUMQILCFAVEU-CIAFKFPVSA-N 2 1 341.543 3.551 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556061909 1122799801 /nfs/dbraw/zinc/79/98/01/1122799801.db2.gz FBGKKSQFIDEPND-AAIMPIBUSA-N 2 1 349.522 3.863 20 0 EHADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556061909 1122799804 /nfs/dbraw/zinc/79/98/04/1122799804.db2.gz FBGKKSQFIDEPND-AAIMPIBUSA-N 2 1 349.522 3.863 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000556091046 1122811989 /nfs/dbraw/zinc/81/19/89/1122811989.db2.gz KKIBZUCTNICMDQ-QYZOEREBSA-N 2 1 346.563 3.937 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000556091046 1122811997 /nfs/dbraw/zinc/81/19/97/1122811997.db2.gz KKIBZUCTNICMDQ-QYZOEREBSA-N 2 1 346.563 3.937 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000556585415 1123048283 /nfs/dbraw/zinc/04/82/83/1123048283.db2.gz DXZOMYSPENNKDD-YZGWKJHDSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000556585415 1123048288 /nfs/dbraw/zinc/04/82/88/1123048288.db2.gz DXZOMYSPENNKDD-YZGWKJHDSA-N 2 1 332.532 3.674 20 0 EHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868639 1123159178 /nfs/dbraw/zinc/15/91/78/1123159178.db2.gz URCMZBZAVUCUBA-XJKSGUPXSA-N 2 1 330.394 3.968 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131957351 1123192591 /nfs/dbraw/zinc/19/25/91/1123192591.db2.gz YAHFFORYKWPFQW-CTNGQTDRSA-N 2 1 330.516 3.802 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499139417 1123243816 /nfs/dbraw/zinc/24/38/16/1123243816.db2.gz OYTYEKWIBYODHW-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499139417 1123243819 /nfs/dbraw/zinc/24/38/19/1123243819.db2.gz OYTYEKWIBYODHW-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499139417 1123243823 /nfs/dbraw/zinc/24/38/23/1123243823.db2.gz OYTYEKWIBYODHW-PSWRPDDJSA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCC1 ZINC000132578979 1123251504 /nfs/dbraw/zinc/25/15/04/1123251504.db2.gz JXBHUVJILVYROY-XJKSGUPXSA-N 2 1 341.421 3.799 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000081096204 1123774699 /nfs/dbraw/zinc/77/46/99/1123774699.db2.gz JXRJUNPWYFGYBM-PBHICJAKSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000081096204 1123774703 /nfs/dbraw/zinc/77/47/03/1123774703.db2.gz JXRJUNPWYFGYBM-PBHICJAKSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000081096204 1123774706 /nfs/dbraw/zinc/77/47/06/1123774706.db2.gz JXRJUNPWYFGYBM-PBHICJAKSA-N 2 1 344.421 3.790 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2COc4ccccc4C2)C3)cc1 ZINC000245720468 1123936303 /nfs/dbraw/zinc/93/63/03/1123936303.db2.gz OSNIHYYMZCGALK-YSFYHYPLSA-N 2 1 348.490 3.775 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246283564 1124076780 /nfs/dbraw/zinc/07/67/80/1124076780.db2.gz BSCCKRNRYWJAAQ-DYEKYZERSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246283564 1124076786 /nfs/dbraw/zinc/07/67/86/1124076786.db2.gz BSCCKRNRYWJAAQ-DYEKYZERSA-N 2 1 343.284 3.592 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246308403 1124081611 /nfs/dbraw/zinc/08/16/11/1124081611.db2.gz DPDJBVJTDUGPRN-YYWHXJBOSA-N 2 1 330.516 3.791 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000246430800 1124465557 /nfs/dbraw/zinc/46/55/57/1124465557.db2.gz NXISKGCHDLWDBN-SJORKVTESA-N 2 1 334.504 3.722 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)cc1 ZINC000617351914 1124494617 /nfs/dbraw/zinc/49/46/17/1124494617.db2.gz RXJYYEUSLQFDID-LJQANCHMSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617351914 1124494623 /nfs/dbraw/zinc/49/46/23/1124494623.db2.gz RXJYYEUSLQFDID-LJQANCHMSA-N 2 1 345.531 3.521 20 0 EHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000617351914 1124494629 /nfs/dbraw/zinc/49/46/29/1124494629.db2.gz RXJYYEUSLQFDID-LJQANCHMSA-N 2 1 345.531 3.521 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000379843519 1124562768 /nfs/dbraw/zinc/56/27/68/1124562768.db2.gz HKGBRLJONACEGG-QHAWAJNXSA-N 2 1 330.516 3.836 20 0 EHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000246903820 1124564634 /nfs/dbraw/zinc/56/46/34/1124564634.db2.gz GACLMRUWKZSBNZ-CABCVRRESA-N 2 1 326.431 3.979 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)C1 ZINC000246903820 1124564640 /nfs/dbraw/zinc/56/46/40/1124564640.db2.gz GACLMRUWKZSBNZ-CABCVRRESA-N 2 1 326.431 3.979 20 0 EHADMP FC(F)Oc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246961170 1124571661 /nfs/dbraw/zinc/57/16/61/1124571661.db2.gz UZCJKLCGTMBWQP-WMLDXEAASA-N 2 1 336.426 3.737 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061338 1124583938 /nfs/dbraw/zinc/58/39/38/1124583938.db2.gz OZWBNRMTVYGIFB-HOCLYGCPSA-N 2 1 344.421 3.790 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061338 1124583942 /nfs/dbraw/zinc/58/39/42/1124583942.db2.gz OZWBNRMTVYGIFB-HOCLYGCPSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061338 1124583948 /nfs/dbraw/zinc/58/39/48/1124583948.db2.gz OZWBNRMTVYGIFB-HOCLYGCPSA-N 2 1 344.421 3.790 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061338 1124583952 /nfs/dbraw/zinc/58/39/52/1124583952.db2.gz OZWBNRMTVYGIFB-HOCLYGCPSA-N 2 1 344.421 3.790 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064488 1124585237 /nfs/dbraw/zinc/58/52/37/1124585237.db2.gz NZUGPZGTKVBAJK-XNFNUYLZSA-N 2 1 349.950 3.795 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000248395167 1124656338 /nfs/dbraw/zinc/65/63/38/1124656338.db2.gz FZTUNDCNAYGTAG-ULQDDVLXSA-N 2 1 340.515 3.877 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000248395167 1124656341 /nfs/dbraw/zinc/65/63/41/1124656341.db2.gz FZTUNDCNAYGTAG-ULQDDVLXSA-N 2 1 340.515 3.877 20 0 EHADMP COc1ccccc1CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248518505 1124670536 /nfs/dbraw/zinc/67/05/36/1124670536.db2.gz AROIPRCOEKZGNB-ICSRJNTNSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248518505 1124670542 /nfs/dbraw/zinc/67/05/42/1124670542.db2.gz AROIPRCOEKZGNB-ICSRJNTNSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248518505 1124670547 /nfs/dbraw/zinc/67/05/47/1124670547.db2.gz AROIPRCOEKZGNB-ICSRJNTNSA-N 2 1 328.500 3.577 20 0 EHADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248518505 1124670550 /nfs/dbraw/zinc/67/05/50/1124670550.db2.gz AROIPRCOEKZGNB-ICSRJNTNSA-N 2 1 328.500 3.577 20 0 EHADMP Clc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250738508 1124842699 /nfs/dbraw/zinc/84/26/99/1124842699.db2.gz DGFGOPTWXPJLQU-KGLIPLIRSA-N 2 1 343.696 3.819 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287717 1124972633 /nfs/dbraw/zinc/97/26/33/1124972633.db2.gz QDSXJNHCMCRCHI-CXAGYDPISA-N 2 1 337.305 3.832 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1F ZINC000092821159 1125163894 /nfs/dbraw/zinc/16/38/94/1125163894.db2.gz ASZCJWWFROKLEN-UHFFFAOYSA-N 2 1 327.447 3.959 20 0 EHADMP C[C@]1(CNC2CC[NH+](CC3CC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000152972950 1125409385 /nfs/dbraw/zinc/40/93/85/1125409385.db2.gz TXQVYLDSWZNBBZ-JOCHJYFZSA-N 2 1 341.543 3.505 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000157673605 1129350292 /nfs/dbraw/zinc/35/02/92/1129350292.db2.gz HSHUSBYNGZGCQO-MOPGFXCFSA-N 3 1 343.559 3.881 20 0 EHADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C(C)C)cc1 ZINC000765980031 1129430393 /nfs/dbraw/zinc/43/03/93/1129430393.db2.gz YSPUHZTXRHPFKK-VXKWHMMOSA-N 2 1 344.543 3.795 20 0 EHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000673600096 1129608839 /nfs/dbraw/zinc/60/88/39/1129608839.db2.gz SNMPCELTQXHYFA-INIZCTEOSA-N 2 1 334.504 3.756 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000673602708 1129610195 /nfs/dbraw/zinc/61/01/95/1129610195.db2.gz NBCLRGHCNSBWEM-TYNCELHUSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000673602708 1129610197 /nfs/dbraw/zinc/61/01/97/1129610197.db2.gz NBCLRGHCNSBWEM-TYNCELHUSA-N 2 1 343.284 3.592 20 0 EHADMP CC(C)(C)[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000508992139 1129623666 /nfs/dbraw/zinc/62/36/66/1129623666.db2.gz RQVONCOJUJTWRY-LJQANCHMSA-N 2 1 329.532 3.567 20 0 EHADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000428962209 1129642543 /nfs/dbraw/zinc/64/25/43/1129642543.db2.gz NCRQTOYGNAHEOE-INIZCTEOSA-N 2 1 342.487 3.848 20 0 EHADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000428962209 1129642545 /nfs/dbraw/zinc/64/25/45/1129642545.db2.gz NCRQTOYGNAHEOE-INIZCTEOSA-N 2 1 342.487 3.848 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009312 1129693831 /nfs/dbraw/zinc/69/38/31/1129693831.db2.gz OLYWKBJLXYXDMF-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009312 1129693833 /nfs/dbraw/zinc/69/38/33/1129693833.db2.gz OLYWKBJLXYXDMF-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009312 1129693835 /nfs/dbraw/zinc/69/38/35/1129693835.db2.gz OLYWKBJLXYXDMF-QFIPXVFZSA-N 2 1 336.479 3.793 20 0 EHADMP CCO[C@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000625131376 1129740966 /nfs/dbraw/zinc/74/09/66/1129740966.db2.gz MNLJZXWOEGSNAQ-OAQYLSRUSA-N 2 1 330.516 3.646 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000674880055 1130214594 /nfs/dbraw/zinc/21/45/94/1130214594.db2.gz FQXUASXPPKFIDS-NRFANRHFSA-N 2 1 341.543 3.648 20 0 EHADMP c1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000674880055 1130214600 /nfs/dbraw/zinc/21/46/00/1130214600.db2.gz FQXUASXPPKFIDS-NRFANRHFSA-N 2 1 341.543 3.648 20 0 EHADMP CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880616 1130500429 /nfs/dbraw/zinc/50/04/29/1130500429.db2.gz GMWBNTCHEMPKDS-NHCUHLMSSA-N 2 1 330.516 3.631 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881793 1130500476 /nfs/dbraw/zinc/50/04/76/1130500476.db2.gz NLWRNLQMKMSRQF-LDBYXDLTSA-N 2 1 346.490 3.682 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3C)[C@H](C)C1 ZINC000675885287 1130502034 /nfs/dbraw/zinc/50/20/34/1130502034.db2.gz ONMYZAAVFMXRKJ-QMMLZNLJSA-N 2 1 330.516 3.709 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157114 1130593747 /nfs/dbraw/zinc/59/37/47/1130593747.db2.gz FNDABSWQBRPAMV-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP CC[NH+](CC)C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152092 1130641664 /nfs/dbraw/zinc/64/16/64/1130641664.db2.gz NKGOWEAYHUVTOF-WJMWBRGCSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000741788121 1131649012 /nfs/dbraw/zinc/64/90/12/1131649012.db2.gz QNLWHMKYGIGFBD-SVFBPWRDSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000741788121 1131649015 /nfs/dbraw/zinc/64/90/15/1131649015.db2.gz QNLWHMKYGIGFBD-SVFBPWRDSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000741788121 1131649020 /nfs/dbraw/zinc/64/90/20/1131649020.db2.gz QNLWHMKYGIGFBD-SVFBPWRDSA-N 2 1 330.516 3.615 20 0 EHADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000741788121 1131649022 /nfs/dbraw/zinc/64/90/22/1131649022.db2.gz QNLWHMKYGIGFBD-SVFBPWRDSA-N 2 1 330.516 3.615 20 0 EHADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172432561 1131726147 /nfs/dbraw/zinc/72/61/47/1131726147.db2.gz ALTLECBNYCCUCJ-AYWYSENESA-N 2 1 330.516 3.975 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172458117 1131751333 /nfs/dbraw/zinc/75/13/33/1131751333.db2.gz YRMMKPUNULPTEB-GOSISDBHSA-N 2 1 330.516 3.713 20 0 EHADMP CC(C)OCC[C@@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172458117 1131751342 /nfs/dbraw/zinc/75/13/42/1131751342.db2.gz YRMMKPUNULPTEB-GOSISDBHSA-N 2 1 330.516 3.713 20 0 EHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172543909 1131782402 /nfs/dbraw/zinc/78/24/02/1131782402.db2.gz PJUNOSLFDSWLQS-RTBURBONSA-N 2 1 341.499 3.843 20 0 EHADMP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001172849456 1131868874 /nfs/dbraw/zinc/86/88/74/1131868874.db2.gz MVTSNCCVKSUDQZ-AWEZNQCLSA-N 2 1 333.838 3.627 20 0 EHADMP Cc1cc(N2CC[NH+]([C@@H](C)Cc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC001172861312 1131879253 /nfs/dbraw/zinc/87/92/53/1131879253.db2.gz KFYNMACYQUVAOE-HNNXBMFYSA-N 2 1 347.865 3.936 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172872501 1131891161 /nfs/dbraw/zinc/89/11/61/1131891161.db2.gz BPYASNDRLPBAFK-CQSZACIVSA-N 2 1 342.936 3.521 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172935031 1131910212 /nfs/dbraw/zinc/91/02/12/1131910212.db2.gz HEIAZLQKCGYCOG-MSOLQXFVSA-N 2 1 348.556 3.994 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)C1 ZINC001172941997 1131913825 /nfs/dbraw/zinc/91/38/25/1131913825.db2.gz MHYROPGDYCIEHK-RTBURBONSA-N 2 1 332.488 3.525 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172953081 1131929800 /nfs/dbraw/zinc/92/98/00/1131929800.db2.gz YLXXSFPJTBKRLN-BHDDXSALSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953081 1131929807 /nfs/dbraw/zinc/92/98/07/1131929807.db2.gz YLXXSFPJTBKRLN-BHDDXSALSA-N 2 1 342.527 3.932 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172953081 1131929812 /nfs/dbraw/zinc/92/98/12/1131929812.db2.gz YLXXSFPJTBKRLN-BHDDXSALSA-N 2 1 342.527 3.932 20 0 EHADMP CC[NH+](CC)C1CCC([NH2+][C@@H](CCN(C)C)c2ccccc2)CC1 ZINC001173101917 1131966834 /nfs/dbraw/zinc/96/68/34/1131966834.db2.gz PJVOUTPXDAWRRM-CBNMVNINSA-N 2 1 331.548 3.922 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+](Cc2ccccc2)CC(OC)OC)CC1 ZINC001173110874 1131969929 /nfs/dbraw/zinc/96/99/29/1131969929.db2.gz ZLHOLFBTNDDUNY-UHFFFAOYSA-N 2 1 348.531 3.761 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccc(OC)c2OC)CC1 ZINC001173113175 1131970182 /nfs/dbraw/zinc/97/01/82/1131970182.db2.gz KJHNTSSPTYCMRG-UHFFFAOYSA-N 2 1 334.504 3.789 20 0 EHADMP C[NH+]1CCC(C[NH+]2CCN(C3CCC4(CCCCC4)CC3)CC2)CC1 ZINC001173120531 1131974007 /nfs/dbraw/zinc/97/40/07/1131974007.db2.gz GEWMUVPGVNSONR-UHFFFAOYSA-N 2 1 347.591 3.839 20 0 EHADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173205361 1132012210 /nfs/dbraw/zinc/01/22/10/1132012210.db2.gz GQQDSDWWDWXVGT-UHFFFAOYSA-N 2 1 328.500 3.935 20 0 EHADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC001173270457 1132025407 /nfs/dbraw/zinc/02/54/07/1132025407.db2.gz CILPWSBWTVEQCR-PXNSSMCTSA-N 2 1 330.516 3.870 20 0 EHADMP Fc1cc2c(cc1F)CC([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001173471919 1132072748 /nfs/dbraw/zinc/07/27/48/1132072748.db2.gz ATUSQSKTCPNUEB-UHFFFAOYSA-N 2 1 342.433 3.686 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001173449008 1132080146 /nfs/dbraw/zinc/08/01/46/1132080146.db2.gz RLHBQEGWFBHXPB-BJLQDIEVSA-N 2 1 346.515 3.609 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001173449008 1132080155 /nfs/dbraw/zinc/08/01/55/1132080155.db2.gz RLHBQEGWFBHXPB-BJLQDIEVSA-N 2 1 346.515 3.609 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173738444 1132138971 /nfs/dbraw/zinc/13/89/71/1132138971.db2.gz SCIJKXOBPQYKAO-KRWDZBQOSA-N 2 1 346.515 3.601 20 0 EHADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1c1ccccc1 ZINC000766331024 1132239585 /nfs/dbraw/zinc/23/95/85/1132239585.db2.gz ZHIYKJKNCUEWPP-PCCBWWKXSA-N 2 1 342.527 3.802 20 0 EHADMP C[N@H+](CCCC1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014486 1132529705 /nfs/dbraw/zinc/52/97/05/1132529705.db2.gz FIQWOKVHZZCLST-JOCHJYFZSA-N 2 1 344.543 3.916 20 0 EHADMP C[N@@H+](CCCC1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175014486 1132529708 /nfs/dbraw/zinc/52/97/08/1132529708.db2.gz FIQWOKVHZZCLST-JOCHJYFZSA-N 2 1 344.543 3.916 20 0 EHADMP C[NH+](CCCC1CCCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001175014486 1132529712 /nfs/dbraw/zinc/52/97/12/1132529712.db2.gz FIQWOKVHZZCLST-JOCHJYFZSA-N 2 1 344.543 3.916 20 0 EHADMP C[NH+](CCCC1CCCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001175014486 1132529720 /nfs/dbraw/zinc/52/97/20/1132529720.db2.gz FIQWOKVHZZCLST-JOCHJYFZSA-N 2 1 344.543 3.916 20 0 EHADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169067145 1132649435 /nfs/dbraw/zinc/64/94/35/1132649435.db2.gz HEUWCDCTILNGFD-UFYCRDLUSA-N 2 1 330.516 3.615 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccc(-c3ccccc3)cc1)C2 ZINC001169102306 1132656231 /nfs/dbraw/zinc/65/62/31/1132656231.db2.gz ZISCAHGBIDKQPE-WKCHPHFGSA-N 2 1 336.479 3.947 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Br)c3)CC1)C2 ZINC001169108214 1132669485 /nfs/dbraw/zinc/66/94/85/1132669485.db2.gz PJWSDIPYRKJSKI-MUJYYYPQSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Br)c3)CC1)C2 ZINC001169108214 1132669489 /nfs/dbraw/zinc/66/94/89/1132669489.db2.gz PJWSDIPYRKJSKI-MUJYYYPQSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001169115334 1132672997 /nfs/dbraw/zinc/67/29/97/1132672997.db2.gz IVROPHXSANRXFC-FJIDUMEYSA-N 2 1 349.316 3.521 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccc(Cl)cc3c3c1CC[NH2+]C3)C2 ZINC001169142430 1132673699 /nfs/dbraw/zinc/67/36/99/1132673699.db2.gz UNDBNQUXPMNZSF-FICVDOATSA-N 2 1 329.875 3.738 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccc(Br)cc3)C1)C2 ZINC001169147053 1132675994 /nfs/dbraw/zinc/67/59/94/1132675994.db2.gz RZRCLOZSQAUBAF-DZJNRPSUSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3ccc(Br)cc3)C1)C2 ZINC001169147053 1132675997 /nfs/dbraw/zinc/67/59/97/1132675997.db2.gz RZRCLOZSQAUBAF-DZJNRPSUSA-N 2 1 349.316 3.864 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3ccc(Br)cc3)C1)C2 ZINC001169147053 1132676000 /nfs/dbraw/zinc/67/60/00/1132676000.db2.gz RZRCLOZSQAUBAF-DZJNRPSUSA-N 2 1 349.316 3.864 20 0 EHADMP COc1cccc(CC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169155501 1132679664 /nfs/dbraw/zinc/67/96/64/1132679664.db2.gz PVVJOPFBQRSUOP-PMOLBWCYSA-N 2 1 328.500 3.575 20 0 EHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)OCc2cc(Cl)ccc23)CC1 ZINC001169262331 1132704505 /nfs/dbraw/zinc/70/45/05/1132704505.db2.gz XZMVCYPJMRKEHD-UHFFFAOYSA-N 2 1 334.891 3.646 20 0 EHADMP C[NH+]1Cc2c(NC3=CCC[N@H+](C)C3)cccc2[C@H](c2ccccc2)C1 ZINC001175579053 1132714085 /nfs/dbraw/zinc/71/40/85/1132714085.db2.gz SKSXAYORIFUEGH-FQEVSTJZSA-N 2 1 333.479 3.895 20 0 EHADMP C[NH+]1CCC=C(Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)C1 ZINC001175579053 1132714090 /nfs/dbraw/zinc/71/40/90/1132714090.db2.gz SKSXAYORIFUEGH-FQEVSTJZSA-N 2 1 333.479 3.895 20 0 EHADMP C[NH+]1CCC=C(Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)C1 ZINC001175579053 1132714096 /nfs/dbraw/zinc/71/40/96/1132714096.db2.gz SKSXAYORIFUEGH-FQEVSTJZSA-N 2 1 333.479 3.895 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013031 1132788877 /nfs/dbraw/zinc/78/88/77/1132788877.db2.gz OUACHMSYBJVQFW-YPMHNXCESA-N 2 1 345.712 3.909 20 0 EHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC001175905780 1132794234 /nfs/dbraw/zinc/79/42/34/1132794234.db2.gz CRSXLMRNKFDBRX-NRFANRHFSA-N 2 1 347.522 3.626 20 0 EHADMP c1cn(Cc2ccccc2)c2c1cc[nH+]c2NCC12CC[NH+](CC1)CC2 ZINC001169794994 1132861386 /nfs/dbraw/zinc/86/13/86/1132861386.db2.gz AQBYRFMJRRRJCE-UHFFFAOYSA-N 2 1 346.478 3.982 20 0 EHADMP Fc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001176262572 1132898293 /nfs/dbraw/zinc/89/82/93/1132898293.db2.gz JMNHQNIVBHRBQX-RTWAWAEBSA-N 2 1 338.470 3.822 20 0 EHADMP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001176262572 1132898302 /nfs/dbraw/zinc/89/83/02/1132898302.db2.gz JMNHQNIVBHRBQX-RTWAWAEBSA-N 2 1 338.470 3.822 20 0 EHADMP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001176262572 1132898311 /nfs/dbraw/zinc/89/83/11/1132898311.db2.gz JMNHQNIVBHRBQX-RTWAWAEBSA-N 2 1 338.470 3.822 20 0 EHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)cc1F ZINC001206025583 1132902756 /nfs/dbraw/zinc/90/27/56/1132902756.db2.gz OFOWHWZXZVOIGU-CHWSQXEVSA-N 2 1 343.284 3.703 20 0 EHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCC(C)(C)CC2)c2cccs2)CC1 ZINC001177103907 1133031409 /nfs/dbraw/zinc/03/14/09/1133031409.db2.gz DRROBPHIOJVCCM-ROUUACIJSA-N 2 1 349.588 3.985 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C[NH+]1CCCC1 ZINC001177328447 1133054972 /nfs/dbraw/zinc/05/49/72/1133054972.db2.gz NRKAESLLRSXMLC-CYBMUJFWSA-N 2 1 348.384 3.588 20 0 EHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206304778 1133071750 /nfs/dbraw/zinc/07/17/50/1133071750.db2.gz PQHWMDIKJNRGNZ-MRXNPFEDSA-N 2 1 331.287 3.953 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001177795205 1133103961 /nfs/dbraw/zinc/10/39/61/1133103961.db2.gz PLJDNSVGGQQFSP-CEWLAPEOSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001177795205 1133103965 /nfs/dbraw/zinc/10/39/65/1133103965.db2.gz PLJDNSVGGQQFSP-CEWLAPEOSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001177795205 1133103970 /nfs/dbraw/zinc/10/39/70/1133103970.db2.gz PLJDNSVGGQQFSP-CEWLAPEOSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001177795205 1133103972 /nfs/dbraw/zinc/10/39/72/1133103972.db2.gz PLJDNSVGGQQFSP-CEWLAPEOSA-N 2 1 329.532 3.676 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)n2cccn2)CC1(C)C ZINC001177947799 1133120596 /nfs/dbraw/zinc/12/05/96/1133120596.db2.gz AFFDLCUGXDYSBX-MSOLQXFVSA-N 2 1 346.906 3.588 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500830 1133145865 /nfs/dbraw/zinc/14/58/65/1133145865.db2.gz GAAVWBPPNQOXTN-DOTOQJQBSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500830 1133145869 /nfs/dbraw/zinc/14/58/69/1133145869.db2.gz GAAVWBPPNQOXTN-DOTOQJQBSA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500830 1133145873 /nfs/dbraw/zinc/14/58/73/1133145873.db2.gz GAAVWBPPNQOXTN-DOTOQJQBSA-N 2 1 327.497 3.744 20 0 EHADMP C[C@@H](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCCCC1 ZINC001178463604 1133171110 /nfs/dbraw/zinc/17/11/10/1133171110.db2.gz RWBQDPYMZOSPQH-FPOVZHCZSA-N 2 1 343.559 3.894 20 0 EHADMP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001206335205 1133181154 /nfs/dbraw/zinc/18/11/54/1133181154.db2.gz CGSGXHDOCJZWTB-INIZCTEOSA-N 2 1 332.822 3.578 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001206335205 1133181157 /nfs/dbraw/zinc/18/11/57/1133181157.db2.gz CGSGXHDOCJZWTB-INIZCTEOSA-N 2 1 332.822 3.578 20 0 EHADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC001178916586 1133212004 /nfs/dbraw/zinc/21/20/04/1133212004.db2.gz ILQHOZZRDWEEDA-ZDUSSCGKSA-N 2 1 343.284 3.718 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338948 1133246319 /nfs/dbraw/zinc/24/63/19/1133246319.db2.gz PBECVYCGTFDUHT-WIYYLYMNSA-N 2 1 349.522 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338948 1133246324 /nfs/dbraw/zinc/24/63/24/1133246324.db2.gz PBECVYCGTFDUHT-WIYYLYMNSA-N 2 1 349.522 3.818 20 0 EHADMP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1COC2 ZINC000769314109 1133259308 /nfs/dbraw/zinc/25/93/08/1133259308.db2.gz DQGCLEZISKGZQH-LJQANCHMSA-N 2 1 328.500 3.805 20 0 EHADMP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1COC2 ZINC000769314109 1133259310 /nfs/dbraw/zinc/25/93/10/1133259310.db2.gz DQGCLEZISKGZQH-LJQANCHMSA-N 2 1 328.500 3.805 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817220 1133286877 /nfs/dbraw/zinc/28/68/77/1133286877.db2.gz OYVPWMDTZXHODB-BMGDILEWSA-N 2 1 330.472 3.984 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccccc2N2CCCCC2)C[C@H]1C ZINC000769471614 1133297922 /nfs/dbraw/zinc/29/79/22/1133297922.db2.gz WQFQYQBIYYTENM-QUCCMNQESA-N 2 1 329.532 3.982 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)C[C@H]1C ZINC000769471614 1133297924 /nfs/dbraw/zinc/29/79/24/1133297924.db2.gz WQFQYQBIYYTENM-QUCCMNQESA-N 2 1 329.532 3.982 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)C[C@H]1C ZINC000769471614 1133297931 /nfs/dbraw/zinc/29/79/31/1133297931.db2.gz WQFQYQBIYYTENM-QUCCMNQESA-N 2 1 329.532 3.982 20 0 EHADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CCCCO1 ZINC001179946723 1133303512 /nfs/dbraw/zinc/30/35/12/1133303512.db2.gz RBECZULYSNCJQV-RTWAWAEBSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CCCCO1 ZINC001179946723 1133303514 /nfs/dbraw/zinc/30/35/14/1133303514.db2.gz RBECZULYSNCJQV-RTWAWAEBSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CCCCO1 ZINC001179946723 1133303516 /nfs/dbraw/zinc/30/35/16/1133303516.db2.gz RBECZULYSNCJQV-RTWAWAEBSA-N 2 1 330.516 3.790 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)c(COC)c2C)C1 ZINC001180059515 1133323430 /nfs/dbraw/zinc/32/34/30/1133323430.db2.gz YMQYSRQHMKLJHT-LJQANCHMSA-N 2 1 332.532 3.922 20 0 EHADMP Cc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351046 1133418619 /nfs/dbraw/zinc/41/86/19/1133418619.db2.gz IBEGHYBSTKLXFP-HOTGVXAUSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351046 1133418621 /nfs/dbraw/zinc/41/86/21/1133418621.db2.gz IBEGHYBSTKLXFP-HOTGVXAUSA-N 2 1 344.528 3.533 20 0 EHADMP Cc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000770351046 1133418623 /nfs/dbraw/zinc/41/86/23/1133418623.db2.gz IBEGHYBSTKLXFP-HOTGVXAUSA-N 2 1 344.528 3.533 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001181222073 1133471583 /nfs/dbraw/zinc/47/15/83/1133471583.db2.gz DNNHTBSDQOHMNU-BURNTYAHSA-N 2 1 344.543 3.816 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000774411611 1133674088 /nfs/dbraw/zinc/67/40/88/1133674088.db2.gz KYAMXAUQHWJHKQ-VQTJNVASSA-N 2 1 332.463 3.510 20 0 EHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC3(COC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182998772 1133755961 /nfs/dbraw/zinc/75/59/61/1133755961.db2.gz CKXDBYYGFNCBHX-QFIPXVFZSA-N 2 1 342.527 3.647 20 0 EHADMP CC(C)(C)[C@@]1(C[NH+]2CCC3(COC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182998772 1133755963 /nfs/dbraw/zinc/75/59/63/1133755963.db2.gz CKXDBYYGFNCBHX-QFIPXVFZSA-N 2 1 342.527 3.647 20 0 EHADMP CC(C)(C)[C@@]1(C[NH+]2CCC3(COC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182998772 1133755968 /nfs/dbraw/zinc/75/59/68/1133755968.db2.gz CKXDBYYGFNCBHX-QFIPXVFZSA-N 2 1 342.527 3.647 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@H]2C1 ZINC001184387516 1133933977 /nfs/dbraw/zinc/93/39/77/1133933977.db2.gz LSZOGURFPGHQLJ-MNMKDFSBSA-N 2 1 349.316 3.625 20 0 EHADMP Cc1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000789355844 1134255495 /nfs/dbraw/zinc/25/54/95/1134255495.db2.gz FGVJGMDJWZGBDZ-UHFFFAOYSA-N 2 1 339.483 3.786 20 0 EHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001170134500 1134409664 /nfs/dbraw/zinc/40/96/64/1134409664.db2.gz BKDUFTUNRPJFJU-IEBWSBKVSA-N 2 1 327.516 3.947 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775378463 1134692639 /nfs/dbraw/zinc/69/26/39/1134692639.db2.gz JVJKBJQBCSSGSU-ALYAQQCSSA-N 2 1 342.618 3.712 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775378463 1134692644 /nfs/dbraw/zinc/69/26/44/1134692644.db2.gz JVJKBJQBCSSGSU-ALYAQQCSSA-N 2 1 342.618 3.712 20 0 EHADMP CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912401 1134769591 /nfs/dbraw/zinc/76/95/91/1134769591.db2.gz CGHMPOZIYZCOAJ-QZTJIDSGSA-N 2 1 330.516 3.918 20 0 EHADMP CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC001190912401 1134769596 /nfs/dbraw/zinc/76/95/96/1134769596.db2.gz CGHMPOZIYZCOAJ-QZTJIDSGSA-N 2 1 330.516 3.918 20 0 EHADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC001170412789 1134773369 /nfs/dbraw/zinc/77/33/69/1134773369.db2.gz VOLVKUJEUMSJNT-DENIHFKCSA-N 2 1 344.543 3.688 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001170428424 1134883733 /nfs/dbraw/zinc/88/37/33/1134883733.db2.gz INKYZPPPKOZCRQ-WMZOPIPTSA-N 2 1 332.488 3.577 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001170444545 1135030079 /nfs/dbraw/zinc/03/00/79/1135030079.db2.gz UQOYLPNERNNKQX-QGZVFWFLSA-N 2 1 332.488 3.543 20 0 EHADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC001326035672 1135491826 /nfs/dbraw/zinc/49/18/26/1135491826.db2.gz LQMJMMGKGGVEKT-ZWNOBZJWSA-N 2 1 329.307 3.574 20 0 EHADMP C[C@]1(C2CC2)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC001196055555 1135508320 /nfs/dbraw/zinc/50/83/20/1135508320.db2.gz DYHQPGIWRTYXTL-OAQYLSRUSA-N 2 1 328.500 3.673 20 0 EHADMP C[C@]1(C2CC2)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC001196055555 1135508323 /nfs/dbraw/zinc/50/83/23/1135508323.db2.gz DYHQPGIWRTYXTL-OAQYLSRUSA-N 2 1 328.500 3.673 20 0 EHADMP CSCC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001196546238 1135579746 /nfs/dbraw/zinc/57/97/46/1135579746.db2.gz XUJMLQRUXBSFMX-LJQANCHMSA-N 2 1 332.557 3.972 20 0 EHADMP C[C@@H](c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1)C(F)(F)F ZINC001196789424 1135610716 /nfs/dbraw/zinc/61/07/16/1135610716.db2.gz KXSLJEZTDJBHFD-XKQJLSEDSA-N 2 1 326.406 3.736 20 0 EHADMP C[C@@H](c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1)C(F)(F)F ZINC001196789424 1135610721 /nfs/dbraw/zinc/61/07/21/1135610721.db2.gz KXSLJEZTDJBHFD-XKQJLSEDSA-N 2 1 326.406 3.736 20 0 EHADMP C[C@@H](c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1)C(F)(F)F ZINC001196789424 1135610724 /nfs/dbraw/zinc/61/07/24/1135610724.db2.gz KXSLJEZTDJBHFD-XKQJLSEDSA-N 2 1 326.406 3.736 20 0 EHADMP C[C@]12C[NH+](CCCc3cccnc3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001196962938 1135635281 /nfs/dbraw/zinc/63/52/81/1135635281.db2.gz VVAZWRNGNLFQBQ-DHIUTWEWSA-N 2 1 349.522 3.858 20 0 EHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001198968453 1135870031 /nfs/dbraw/zinc/87/00/31/1135870031.db2.gz IKFMYQBZQFANJE-QYZOEREBSA-N 2 1 349.588 3.985 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC001199851113 1135931910 /nfs/dbraw/zinc/93/19/10/1135931910.db2.gz MXUQRNOTRLQJLN-HXUWFJFHSA-N 2 1 344.474 3.607 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC001199851113 1135931913 /nfs/dbraw/zinc/93/19/13/1135931913.db2.gz MXUQRNOTRLQJLN-HXUWFJFHSA-N 2 1 344.474 3.607 20 0 EHADMP FC1(F)Oc2ccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2O1 ZINC001200923596 1135966360 /nfs/dbraw/zinc/96/63/60/1135966360.db2.gz UCAPFPGRNLAEQE-UHFFFAOYSA-N 2 1 338.398 3.505 20 0 EHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201417785 1136017926 /nfs/dbraw/zinc/01/79/26/1136017926.db2.gz WSYTVDXOISVHFQ-YVNJGZBMSA-N 2 1 339.527 3.970 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201417785 1136017929 /nfs/dbraw/zinc/01/79/29/1136017929.db2.gz WSYTVDXOISVHFQ-YVNJGZBMSA-N 2 1 339.527 3.970 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201417785 1136017931 /nfs/dbraw/zinc/01/79/31/1136017931.db2.gz WSYTVDXOISVHFQ-YVNJGZBMSA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201417785 1136017934 /nfs/dbraw/zinc/01/79/34/1136017934.db2.gz WSYTVDXOISVHFQ-YVNJGZBMSA-N 2 1 339.527 3.970 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201417785 1136017938 /nfs/dbraw/zinc/01/79/38/1136017938.db2.gz WSYTVDXOISVHFQ-YVNJGZBMSA-N 2 1 339.527 3.970 20 0 EHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC(C)(C)C)CC3)C2)cc1 ZINC001201435576 1136024617 /nfs/dbraw/zinc/02/46/17/1136024617.db2.gz KYAGCPJYGYUMBD-UHFFFAOYSA-N 2 1 330.516 3.708 20 0 EHADMP CC[C@H](C)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201508163 1136030279 /nfs/dbraw/zinc/03/02/79/1136030279.db2.gz CAIUOOOIPXUOCW-INIZCTEOSA-N 2 1 327.472 3.711 20 0 EHADMP CC[C@H](C)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201508163 1136030282 /nfs/dbraw/zinc/03/02/82/1136030282.db2.gz CAIUOOOIPXUOCW-INIZCTEOSA-N 2 1 327.472 3.711 20 0 EHADMP CC[C@H](C)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001201508163 1136030285 /nfs/dbraw/zinc/03/02/85/1136030285.db2.gz CAIUOOOIPXUOCW-INIZCTEOSA-N 2 1 327.472 3.711 20 0 EHADMP CC[C@H](C)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001201508163 1136030288 /nfs/dbraw/zinc/03/02/88/1136030288.db2.gz CAIUOOOIPXUOCW-INIZCTEOSA-N 2 1 327.472 3.711 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]21 ZINC001201603663 1136045989 /nfs/dbraw/zinc/04/59/89/1136045989.db2.gz LNPRYYITLFAFOF-AKIFATBCSA-N 2 1 349.522 3.857 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]21 ZINC001201603663 1136045992 /nfs/dbraw/zinc/04/59/92/1136045992.db2.gz LNPRYYITLFAFOF-AKIFATBCSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]21 ZINC001201603663 1136045996 /nfs/dbraw/zinc/04/59/96/1136045996.db2.gz LNPRYYITLFAFOF-AKIFATBCSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC001201603663 1136046000 /nfs/dbraw/zinc/04/60/00/1136046000.db2.gz LNPRYYITLFAFOF-AKIFATBCSA-N 2 1 349.522 3.857 20 0 EHADMP C[C@H](CC[NH2+]Cc1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001201954258 1136077921 /nfs/dbraw/zinc/07/79/21/1136077921.db2.gz JRKHIRHBCKKZOJ-CQSZACIVSA-N 2 1 330.394 3.939 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001202368520 1136134738 /nfs/dbraw/zinc/13/47/38/1136134738.db2.gz OEBVQBUBYURWJD-SJORKVTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001202368520 1136134742 /nfs/dbraw/zinc/13/47/42/1136134742.db2.gz OEBVQBUBYURWJD-SJORKVTESA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001202368520 1136134745 /nfs/dbraw/zinc/13/47/45/1136134745.db2.gz OEBVQBUBYURWJD-SJORKVTESA-N 2 1 326.406 3.783 20 0 EHADMP COc1cncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000850031871 1136200951 /nfs/dbraw/zinc/20/09/51/1136200951.db2.gz WXVKYVKSBHPEEP-QGZVFWFLSA-N 2 1 339.483 3.612 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000812844938 1136259619 /nfs/dbraw/zinc/25/96/19/1136259619.db2.gz NCFMCMOJPCFWIH-XLIONFOSSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000812844938 1136259623 /nfs/dbraw/zinc/25/96/23/1136259623.db2.gz NCFMCMOJPCFWIH-XLIONFOSSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789026 1136362512 /nfs/dbraw/zinc/36/25/12/1136362512.db2.gz GRNKLOFTNOWMLJ-VZHSDHNVSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1ccc(-c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)o2)cc1 ZINC000111386146 1136540059 /nfs/dbraw/zinc/54/00/59/1136540059.db2.gz QYMPYPZBKYZSFJ-LJQANCHMSA-N 2 1 342.483 3.582 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000815037647 1136543131 /nfs/dbraw/zinc/54/31/31/1136543131.db2.gz RKQGSSZXPZTVOY-GOSISDBHSA-N 2 1 330.472 3.518 20 0 EHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170824251 1136715789 /nfs/dbraw/zinc/71/57/89/1136715789.db2.gz XIMMAQRWNZIRLL-IZBJGVDFSA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170824251 1136715792 /nfs/dbraw/zinc/71/57/92/1136715792.db2.gz XIMMAQRWNZIRLL-IZBJGVDFSA-N 2 1 348.556 3.850 20 0 EHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170824251 1136715796 /nfs/dbraw/zinc/71/57/96/1136715796.db2.gz XIMMAQRWNZIRLL-IZBJGVDFSA-N 2 1 348.556 3.850 20 0 EHADMP CC(C)=CCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605245 1136798520 /nfs/dbraw/zinc/79/85/20/1136798520.db2.gz ACSSJZBNMFLWOM-FQEVSTJZSA-N 2 1 331.504 3.731 20 0 EHADMP CC(C)=CCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605245 1136798523 /nfs/dbraw/zinc/79/85/23/1136798523.db2.gz ACSSJZBNMFLWOM-FQEVSTJZSA-N 2 1 331.504 3.731 20 0 EHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817944157 1136849975 /nfs/dbraw/zinc/84/99/75/1136849975.db2.gz YHFSSUYHWFIXIR-MRXNPFEDSA-N 2 1 329.488 3.516 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000817947128 1136850699 /nfs/dbraw/zinc/85/06/99/1136850699.db2.gz KXNLUZZUONXAMC-SCTDSRPQSA-N 2 1 347.547 3.576 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccnc1Cl ZINC000817978611 1136854166 /nfs/dbraw/zinc/85/41/66/1136854166.db2.gz CLTWRJXXMOMWAS-QIIPPGSGSA-N 2 1 347.865 3.918 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccnc1Cl ZINC000817978610 1136854400 /nfs/dbraw/zinc/85/44/00/1136854400.db2.gz CLTWRJXXMOMWAS-DHSIGJKJSA-N 2 1 347.865 3.918 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC000819125092 1136916536 /nfs/dbraw/zinc/91/65/36/1136916536.db2.gz DWAOQEKBTWXRSA-KRWDZBQOSA-N 2 1 346.437 3.837 20 0 EHADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000819126793 1136916594 /nfs/dbraw/zinc/91/65/94/1136916594.db2.gz SHJHIKPPPBPNRC-QGZVFWFLSA-N 2 1 346.437 3.837 20 0 EHADMP c1cc(O[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)ncc1C1CC1 ZINC000858022973 1136933012 /nfs/dbraw/zinc/93/30/12/1136933012.db2.gz CZJKMPOYUZPZIO-HXUWFJFHSA-N 2 1 343.515 3.678 20 0 EHADMP c1cc(O[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)ncc1C1CC1 ZINC000858022973 1136933015 /nfs/dbraw/zinc/93/30/15/1136933015.db2.gz CZJKMPOYUZPZIO-HXUWFJFHSA-N 2 1 343.515 3.678 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@@H]2CCCc3cn(C4CCCC4)nc32)CC1(C)C ZINC000858157675 1136944733 /nfs/dbraw/zinc/94/47/33/1136944733.db2.gz LASDRKOFRLFYJW-SJLPKXTDSA-N 2 1 330.520 3.838 20 0 EHADMP C[C@@H](O)CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170938415 1136961558 /nfs/dbraw/zinc/96/15/58/1136961558.db2.gz IZNRMXSSPHCIQJ-KNQAVFIVSA-N 2 1 344.543 3.914 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1-c1ccccc1 ZINC000858490504 1136972805 /nfs/dbraw/zinc/97/28/05/1136972805.db2.gz IXSQMDCKDDADJL-SJLPKXTDSA-N 2 1 326.488 3.563 20 0 EHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000858490504 1136972807 /nfs/dbraw/zinc/97/28/07/1136972807.db2.gz IXSQMDCKDDADJL-SJLPKXTDSA-N 2 1 326.488 3.563 20 0 EHADMP Fc1cccc2c1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001170949829 1136997014 /nfs/dbraw/zinc/99/70/14/1136997014.db2.gz OZNBXZZVWTXGHE-AZUAARDMSA-N 2 1 338.470 3.795 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccc(F)cc1F ZINC000859995329 1137039973 /nfs/dbraw/zinc/03/99/73/1137039973.db2.gz PIFCUVMURPOHNQ-FQEVSTJZSA-N 2 1 348.437 3.582 20 0 EHADMP Fc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)CC2 ZINC001170999801 1137082903 /nfs/dbraw/zinc/08/29/03/1137082903.db2.gz DGQNQXXIXUPTJF-SFHVURJKSA-N 2 1 334.454 3.581 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@@H+]1C ZINC000266025277 1137097801 /nfs/dbraw/zinc/09/78/01/1137097801.db2.gz YEZCNZWPUZPJTF-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)CC[N@H+]1C ZINC000266025277 1137097803 /nfs/dbraw/zinc/09/78/03/1137097803.db2.gz YEZCNZWPUZPJTF-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025277 1137097805 /nfs/dbraw/zinc/09/78/05/1137097805.db2.gz YEZCNZWPUZPJTF-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC[NH+]1C ZINC000266025277 1137097807 /nfs/dbraw/zinc/09/78/07/1137097807.db2.gz YEZCNZWPUZPJTF-YLJYHZDGSA-N 2 1 339.483 3.575 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)C[C@H](CC)[NH2+]1 ZINC001246242334 1137101357 /nfs/dbraw/zinc/10/13/57/1137101357.db2.gz HFVCQLFKOLCBHW-ZSBIGDGJSA-N 2 1 331.323 3.909 20 0 EHADMP Fc1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccnc1Cl ZINC000823471191 1137101509 /nfs/dbraw/zinc/10/15/09/1137101509.db2.gz QKVNLHJHYAAERK-UHFFFAOYSA-N 2 1 339.886 3.962 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3ccccc3C2)cn1 ZINC000823677605 1137110793 /nfs/dbraw/zinc/11/07/93/1137110793.db2.gz ZJMBOGDIBVMVHR-FQEVSTJZSA-N 2 1 332.451 3.613 20 0 EHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)CC1 ZINC000824332203 1137135315 /nfs/dbraw/zinc/13/53/15/1137135315.db2.gz GAURCCYZSZWJAZ-UHFFFAOYSA-N 2 1 344.499 3.546 20 0 EHADMP Clc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001136928167 1137150035 /nfs/dbraw/zinc/15/00/35/1137150035.db2.gz CWJDSEMSCLVHCJ-UHFFFAOYSA-N 2 1 345.874 3.816 20 0 EHADMP Clc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001136928167 1137150037 /nfs/dbraw/zinc/15/00/37/1137150037.db2.gz CWJDSEMSCLVHCJ-UHFFFAOYSA-N 2 1 345.874 3.816 20 0 EHADMP Clc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001136928167 1137150038 /nfs/dbraw/zinc/15/00/38/1137150038.db2.gz CWJDSEMSCLVHCJ-UHFFFAOYSA-N 2 1 345.874 3.816 20 0 EHADMP Cc1ccc2c(C[NH+]3CCC([NH+]4CCC(F)CC4)CC3)c[nH]c2c1 ZINC001136974582 1137159559 /nfs/dbraw/zinc/15/95/59/1137159559.db2.gz DXSLECMZNDRGDK-UHFFFAOYSA-N 2 1 329.463 3.875 20 0 EHADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@H](O)C[NH2+]C)c2)cc1 ZINC000863691834 1137199705 /nfs/dbraw/zinc/19/97/05/1137199705.db2.gz MLRDNTVTSDFEOX-FCHUYYIVSA-N 2 1 338.495 3.981 20 0 EHADMP Cc1c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1C(F)(F)F ZINC001143930091 1137217762 /nfs/dbraw/zinc/21/77/62/1137217762.db2.gz KWPVSAXMZLWQOG-UHFFFAOYSA-N 2 1 326.406 3.932 20 0 EHADMP Cc1c(O)cccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144122021 1137241188 /nfs/dbraw/zinc/24/11/88/1137241188.db2.gz SMKGZOJACJMJQP-NHCUHLMSSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001144122021 1137241190 /nfs/dbraw/zinc/24/11/90/1137241190.db2.gz SMKGZOJACJMJQP-NHCUHLMSSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001144122021 1137241192 /nfs/dbraw/zinc/24/11/92/1137241192.db2.gz SMKGZOJACJMJQP-NHCUHLMSSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144122021 1137241193 /nfs/dbraw/zinc/24/11/93/1137241193.db2.gz SMKGZOJACJMJQP-NHCUHLMSSA-N 2 1 336.479 3.655 20 0 EHADMP Cc1c(O)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001144122021 1137241195 /nfs/dbraw/zinc/24/11/95/1137241195.db2.gz SMKGZOJACJMJQP-NHCUHLMSSA-N 2 1 336.479 3.655 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149709 1137249084 /nfs/dbraw/zinc/24/90/84/1137249084.db2.gz LZYNMXBDBAACAP-JDSLSITLSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149709 1137249085 /nfs/dbraw/zinc/24/90/85/1137249085.db2.gz LZYNMXBDBAACAP-JDSLSITLSA-N 2 1 327.299 3.781 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865414204 1137281414 /nfs/dbraw/zinc/28/14/14/1137281414.db2.gz MSSAFAOTGIGNFN-QGZVFWFLSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865414204 1137281415 /nfs/dbraw/zinc/28/14/15/1137281415.db2.gz MSSAFAOTGIGNFN-QGZVFWFLSA-N 2 1 338.499 3.882 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cnc1Cl ZINC000865447050 1137284749 /nfs/dbraw/zinc/28/47/49/1137284749.db2.gz KFNFRHZSWBDGIG-MRXNPFEDSA-N 2 1 347.865 3.528 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cnc1Cl ZINC000865447050 1137284751 /nfs/dbraw/zinc/28/47/51/1137284751.db2.gz KFNFRHZSWBDGIG-MRXNPFEDSA-N 2 1 347.865 3.528 20 0 EHADMP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865831144 1137314894 /nfs/dbraw/zinc/31/48/94/1137314894.db2.gz SYVDPCDFKMSISG-MANSERQUSA-N 2 1 334.891 3.777 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCc2cccnc2)cc1F ZINC000866243389 1137338740 /nfs/dbraw/zinc/33/87/40/1137338740.db2.gz UPNWEMYLPUXARW-OAHLLOKOSA-N 2 1 338.430 3.826 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866248455 1137339154 /nfs/dbraw/zinc/33/91/54/1137339154.db2.gz OXQCFPAHWKSPOP-ROUUACIJSA-N 2 1 325.500 3.877 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866248453 1137339160 /nfs/dbraw/zinc/33/91/60/1137339160.db2.gz OXQCFPAHWKSPOP-MSOLQXFVSA-N 2 1 325.500 3.877 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866337107 1137347108 /nfs/dbraw/zinc/34/71/08/1137347108.db2.gz ORJGCSAZKHJSQI-KNKQGSTJSA-N 2 1 337.511 3.903 20 0 EHADMP CC(C)N1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000866469238 1137357204 /nfs/dbraw/zinc/35/72/04/1137357204.db2.gz KDRUHTBXDRONHK-UHFFFAOYSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(OC(F)(F)F)c1 ZINC000846846527 1137371598 /nfs/dbraw/zinc/37/15/98/1137371598.db2.gz HPDLJNSGXQOOHL-LBPRGKRZSA-N 2 1 327.350 3.602 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846853072 1137372260 /nfs/dbraw/zinc/37/22/60/1137372260.db2.gz QCTRYBOTDOXCBO-OAHLLOKOSA-N 2 1 337.389 3.861 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846853072 1137372262 /nfs/dbraw/zinc/37/22/62/1137372262.db2.gz QCTRYBOTDOXCBO-OAHLLOKOSA-N 2 1 337.389 3.861 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702979 1137374481 /nfs/dbraw/zinc/37/44/81/1137374481.db2.gz FXGRHJQKIIBSBY-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)co2)cc1 ZINC000866702979 1137374482 /nfs/dbraw/zinc/37/44/82/1137374482.db2.gz FXGRHJQKIIBSBY-FQEVSTJZSA-N 2 1 343.471 3.547 20 0 EHADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([NH3+])(CC3CC3)CC1)CC2 ZINC001171298176 1137401588 /nfs/dbraw/zinc/40/15/88/1137401588.db2.gz HDMJTAAKRKKQDM-OAHLLOKOSA-N 2 1 348.918 3.799 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171412030 1137476125 /nfs/dbraw/zinc/47/61/25/1137476125.db2.gz REWVPMRPIGILMO-APWZRJJASA-N 2 1 326.459 3.780 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC000716619392 1137487627 /nfs/dbraw/zinc/48/76/27/1137487627.db2.gz CTMUZJGJDNRXSQ-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619392 1137487628 /nfs/dbraw/zinc/48/76/28/1137487628.db2.gz CTMUZJGJDNRXSQ-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619392 1137487629 /nfs/dbraw/zinc/48/76/29/1137487629.db2.gz CTMUZJGJDNRXSQ-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619392 1137487630 /nfs/dbraw/zinc/48/76/30/1137487630.db2.gz CTMUZJGJDNRXSQ-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619392 1137487631 /nfs/dbraw/zinc/48/76/31/1137487631.db2.gz CTMUZJGJDNRXSQ-TUFLPTIASA-N 2 1 341.543 3.502 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171513370 1137495421 /nfs/dbraw/zinc/49/54/21/1137495421.db2.gz UMWFIXKBQPFVAC-APIJFGDWSA-N 2 1 338.417 3.566 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171513370 1137495423 /nfs/dbraw/zinc/49/54/23/1137495423.db2.gz UMWFIXKBQPFVAC-APIJFGDWSA-N 2 1 338.417 3.566 20 0 EHADMP Cc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001171551217 1137497352 /nfs/dbraw/zinc/49/73/52/1137497352.db2.gz OHYVTZYJOBEJAK-IRLDBZIGSA-N 2 1 334.507 3.964 20 0 EHADMP C[C@@H]1C[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171732355 1137507172 /nfs/dbraw/zinc/50/71/72/1137507172.db2.gz JFIKLRZWHWWLCP-MJGOQNOKSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CN1Cc1ccccc1 ZINC001171732355 1137507173 /nfs/dbraw/zinc/50/71/73/1137507173.db2.gz JFIKLRZWHWWLCP-MJGOQNOKSA-N 2 1 343.559 3.890 20 0 EHADMP C[C@@H]1C[C@@H](n2ccc3cc(CC[NH3+])ccc32)C[N@H+]1Cc1ccccc1 ZINC001171733721 1137507223 /nfs/dbraw/zinc/50/72/23/1137507223.db2.gz YGRSKECQCBOIDA-DYESRHJHSA-N 2 1 333.479 3.978 20 0 EHADMP C[C@@H]1C[C@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754586 1137508652 /nfs/dbraw/zinc/50/86/52/1137508652.db2.gz GMGKXNDYVZPZQF-FCEUIQTBSA-N 2 1 341.543 3.600 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171791015 1137512523 /nfs/dbraw/zinc/51/25/23/1137512523.db2.gz XNJKSSCDLUEDQT-ZWDAVXSWSA-N 2 1 338.470 3.793 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171791015 1137512525 /nfs/dbraw/zinc/51/25/25/1137512525.db2.gz XNJKSSCDLUEDQT-ZWDAVXSWSA-N 2 1 338.470 3.793 20 0 EHADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171962451 1137519625 /nfs/dbraw/zinc/51/96/25/1137519625.db2.gz DBXNVPSSCMGYCN-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962451 1137519626 /nfs/dbraw/zinc/51/96/26/1137519626.db2.gz DBXNVPSSCMGYCN-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962451 1137519627 /nfs/dbraw/zinc/51/96/27/1137519627.db2.gz DBXNVPSSCMGYCN-PMACEKPBSA-N 2 1 329.532 3.504 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ccn1 ZINC001171963312 1137520066 /nfs/dbraw/zinc/52/00/66/1137520066.db2.gz HOPOLVYFPLHCBS-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)ccn1 ZINC001171963312 1137520068 /nfs/dbraw/zinc/52/00/68/1137520068.db2.gz HOPOLVYFPLHCBS-LJQANCHMSA-N 2 1 339.483 3.623 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC001171965642 1137520277 /nfs/dbraw/zinc/52/02/77/1137520277.db2.gz PVQVEQQJGUQUGK-QGZVFWFLSA-N 2 1 329.513 3.718 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968068 1137520806 /nfs/dbraw/zinc/52/08/06/1137520806.db2.gz NZAFHQXFEFQLKH-LJQANCHMSA-N 2 1 332.532 3.818 20 0 EHADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972551 1137524131 /nfs/dbraw/zinc/52/41/31/1137524131.db2.gz RDDOPNNUVLSGPT-LJQANCHMSA-N 2 1 346.515 3.753 20 0 EHADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974987 1137524638 /nfs/dbraw/zinc/52/46/38/1137524638.db2.gz BNHNJOJZJRMBRE-PCCBWWKXSA-N 3 1 343.559 3.892 20 0 EHADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974987 1137524640 /nfs/dbraw/zinc/52/46/40/1137524640.db2.gz BNHNJOJZJRMBRE-PCCBWWKXSA-N 2 1 343.559 3.892 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC3(COC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976263 1137525406 /nfs/dbraw/zinc/52/54/06/1137525406.db2.gz JQNSBWCQSPUAOH-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976263 1137525407 /nfs/dbraw/zinc/52/54/07/1137525407.db2.gz JQNSBWCQSPUAOH-LJQANCHMSA-N 2 1 328.500 3.542 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC001171982682 1137526460 /nfs/dbraw/zinc/52/64/60/1137526460.db2.gz JRMDBHSEOILXNY-FQEVSTJZSA-N 2 1 338.495 3.968 20 0 EHADMP OCC[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172073722 1137530192 /nfs/dbraw/zinc/53/01/92/1137530192.db2.gz BXEBZVVNFHKBIB-CZYKHXBRSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172073722 1137530193 /nfs/dbraw/zinc/53/01/93/1137530193.db2.gz BXEBZVVNFHKBIB-CZYKHXBRSA-N 2 1 342.527 3.667 20 0 EHADMP OCC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172073722 1137530194 /nfs/dbraw/zinc/53/01/94/1137530194.db2.gz BXEBZVVNFHKBIB-CZYKHXBRSA-N 2 1 342.527 3.667 20 0 EHADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076008 1137530418 /nfs/dbraw/zinc/53/04/18/1137530418.db2.gz GPPDXCRPGLUVOK-QNDFHXLGSA-N 2 1 328.500 3.587 20 0 EHADMP CN(C1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075163 1137530705 /nfs/dbraw/zinc/53/07/05/1137530705.db2.gz BVNQQRYSFYNBQT-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP CO[C@@H](C)C1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086573 1137532150 /nfs/dbraw/zinc/53/21/50/1137532150.db2.gz HLOVXRBHJWXIDX-DVWBAYGPSA-N 2 1 328.500 3.539 20 0 EHADMP CC[NH+](CC)CCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067820 1137534424 /nfs/dbraw/zinc/53/44/24/1137534424.db2.gz OCWLTUHCNBCUEG-DKUWSORSSA-N 2 1 343.559 3.894 20 0 EHADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132512 1137536141 /nfs/dbraw/zinc/53/61/41/1137536141.db2.gz LYBDJCQPZBNDGY-MBDNFAEBSA-N 2 1 341.543 3.598 20 0 EHADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132512 1137536142 /nfs/dbraw/zinc/53/61/42/1137536142.db2.gz LYBDJCQPZBNDGY-MBDNFAEBSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104295 1137536348 /nfs/dbraw/zinc/53/63/48/1137536348.db2.gz BJKTVXLYSUOWKK-MXEMCNAFSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001172104295 1137536349 /nfs/dbraw/zinc/53/63/49/1137536349.db2.gz BJKTVXLYSUOWKK-MXEMCNAFSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3cc(Cl)ccc3nc1CCC[NH3+])C2 ZINC001172106201 1137536605 /nfs/dbraw/zinc/53/66/05/1137536605.db2.gz NKPZXDFDIZBYIF-MUJYYYPQSA-N 2 1 346.906 3.769 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106495 1137537047 /nfs/dbraw/zinc/53/70/47/1137537047.db2.gz POKOHPIJGZBVLL-VQQMMKBISA-N 2 1 338.495 3.868 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106495 1137537048 /nfs/dbraw/zinc/53/70/48/1137537048.db2.gz POKOHPIJGZBVLL-VQQMMKBISA-N 2 1 338.495 3.868 20 0 EHADMP COc1cccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)c1 ZINC001172109010 1137537159 /nfs/dbraw/zinc/53/71/59/1137537159.db2.gz BDJAESLHYPSMOS-REPLKXPHSA-N 2 1 328.500 3.765 20 0 EHADMP COc1cccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001172109010 1137537161 /nfs/dbraw/zinc/53/71/61/1137537161.db2.gz BDJAESLHYPSMOS-REPLKXPHSA-N 2 1 328.500 3.765 20 0 EHADMP COCCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC(F)(F)CC1 ZINC001172112530 1137537431 /nfs/dbraw/zinc/53/74/31/1137537431.db2.gz XAHBSIXWDJEWFL-PHZGNYQRSA-N 2 1 330.463 3.576 20 0 EHADMP COCCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001172112530 1137537433 /nfs/dbraw/zinc/53/74/33/1137537433.db2.gz XAHBSIXWDJEWFL-PHZGNYQRSA-N 2 1 330.463 3.576 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112464 1137537614 /nfs/dbraw/zinc/53/76/14/1137537614.db2.gz XFHDFKZQBWRBTO-BURNTYAHSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001172112464 1137537615 /nfs/dbraw/zinc/53/76/15/1137537615.db2.gz XFHDFKZQBWRBTO-BURNTYAHSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114265 1137538064 /nfs/dbraw/zinc/53/80/64/1137538064.db2.gz PSXKNQLGVODAKY-BJWYYQGGSA-N 2 1 335.289 3.780 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114265 1137538066 /nfs/dbraw/zinc/53/80/66/1137538066.db2.gz PSXKNQLGVODAKY-BJWYYQGGSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114265 1137538067 /nfs/dbraw/zinc/53/80/67/1137538067.db2.gz PSXKNQLGVODAKY-BJWYYQGGSA-N 2 1 335.289 3.780 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccc(Br)cc3C1)C2 ZINC001172114265 1137538069 /nfs/dbraw/zinc/53/80/69/1137538069.db2.gz PSXKNQLGVODAKY-BJWYYQGGSA-N 2 1 335.289 3.780 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001172117951 1137538356 /nfs/dbraw/zinc/53/83/56/1137538356.db2.gz SUFRKTCZBQPLLO-YQPXSLGVSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001172117951 1137538358 /nfs/dbraw/zinc/53/83/58/1137538358.db2.gz SUFRKTCZBQPLLO-YQPXSLGVSA-N 2 1 332.532 3.529 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3[C@@H](C1)CCC[C@@H]3OCC1CC1)C2 ZINC001172117951 1137538359 /nfs/dbraw/zinc/53/83/59/1137538359.db2.gz SUFRKTCZBQPLLO-YQPXSLGVSA-N 2 1 332.532 3.529 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120543 1137538431 /nfs/dbraw/zinc/53/84/31/1137538431.db2.gz GBXQFLXCUSZTEX-FUMNGEBKSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120543 1137538432 /nfs/dbraw/zinc/53/84/32/1137538432.db2.gz GBXQFLXCUSZTEX-FUMNGEBKSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120543 1137538433 /nfs/dbraw/zinc/53/84/33/1137538433.db2.gz GBXQFLXCUSZTEX-FUMNGEBKSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120543 1137538434 /nfs/dbraw/zinc/53/84/34/1137538434.db2.gz GBXQFLXCUSZTEX-FUMNGEBKSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172120887 1137538441 /nfs/dbraw/zinc/53/84/41/1137538441.db2.gz GVIAOEQAZWDVKW-BWTSREIZSA-N 2 1 328.500 3.854 20 0 EHADMP Cc1ccc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172120887 1137538442 /nfs/dbraw/zinc/53/84/42/1137538442.db2.gz GVIAOEQAZWDVKW-BWTSREIZSA-N 2 1 328.500 3.854 20 0 EHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172227572 1137542469 /nfs/dbraw/zinc/54/24/69/1137542469.db2.gz BOCZQPOFJOXMDR-SEJPIABJSA-N 2 1 328.500 3.683 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172196116 1137543176 /nfs/dbraw/zinc/54/31/76/1137543176.db2.gz FBNISVQVJQPEJE-SFHVURJKSA-N 2 1 342.483 3.793 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172198679 1137543386 /nfs/dbraw/zinc/54/33/86/1137543386.db2.gz RPWOOSWRZGHRDP-GOSISDBHSA-N 2 1 342.483 3.793 20 0 EHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(Cl)c2)CC1 ZINC001172250286 1137544600 /nfs/dbraw/zinc/54/46/00/1137544600.db2.gz VYDIZPXBUBZPOZ-CYBMUJFWSA-N 2 1 328.859 3.631 20 0 EHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CC1 ZINC001172256954 1137545136 /nfs/dbraw/zinc/54/51/36/1137545136.db2.gz IYDFMHNXTCZXLO-NRFANRHFSA-N 2 1 344.543 3.832 20 0 EHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC1 ZINC001172256954 1137545137 /nfs/dbraw/zinc/54/51/37/1137545137.db2.gz IYDFMHNXTCZXLO-NRFANRHFSA-N 2 1 344.543 3.832 20 0 EHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333000 1137551420 /nfs/dbraw/zinc/55/14/20/1137551420.db2.gz IUWMBSLVSCSYDC-SOAMZJECSA-N 2 1 333.520 3.747 20 0 EHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001172337985 1137551891 /nfs/dbraw/zinc/55/18/91/1137551891.db2.gz XOLZNXGHFGNLRC-DLBZAZTESA-N 2 1 334.504 3.539 20 0 EHADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000872025811 1137565645 /nfs/dbraw/zinc/56/56/45/1137565645.db2.gz UCHQETPDFGBGRK-ZHALLVOQSA-N 2 1 344.499 3.688 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031458 1137566257 /nfs/dbraw/zinc/56/62/57/1137566257.db2.gz KLCFQORGFKTVMK-LEWJYISDSA-N 2 1 342.527 3.632 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cc(O)ccc1F ZINC000872032774 1137566607 /nfs/dbraw/zinc/56/66/07/1137566607.db2.gz ZFISPRUUYDITCE-HNNXBMFYSA-N 2 1 346.446 3.713 20 0 EHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872061526 1137568873 /nfs/dbraw/zinc/56/88/73/1137568873.db2.gz YQDWZAQVEKZSPD-WLRLJWMZSA-N 2 1 330.516 3.692 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000872133685 1137573470 /nfs/dbraw/zinc/57/34/70/1137573470.db2.gz OLUVSGBTUCQKBG-KKXNLOMOSA-N 2 1 338.499 3.879 20 0 EHADMP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158908 1137574482 /nfs/dbraw/zinc/57/44/82/1137574482.db2.gz ZEKRBUWAFYSNHJ-UXLLHSPISA-N 2 1 334.508 3.874 20 0 EHADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158908 1137574483 /nfs/dbraw/zinc/57/44/83/1137574483.db2.gz ZEKRBUWAFYSNHJ-UXLLHSPISA-N 2 1 334.508 3.874 20 0 EHADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000873226738 1137594402 /nfs/dbraw/zinc/59/44/02/1137594402.db2.gz AHDVPUNGTYEQHS-WMLDXEAASA-N 2 1 342.405 3.577 20 0 EHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000873226738 1137594403 /nfs/dbraw/zinc/59/44/03/1137594403.db2.gz AHDVPUNGTYEQHS-WMLDXEAASA-N 2 1 342.405 3.577 20 0 EHADMP Fc1cccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000876769995 1137660903 /nfs/dbraw/zinc/66/09/03/1137660903.db2.gz FYXIDWQYEGNPNJ-MRXNPFEDSA-N 2 1 327.447 3.682 20 0 EHADMP Fc1cccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000876769995 1137660904 /nfs/dbraw/zinc/66/09/04/1137660904.db2.gz FYXIDWQYEGNPNJ-MRXNPFEDSA-N 2 1 327.447 3.682 20 0 EHADMP Fc1cccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000877114978 1137670487 /nfs/dbraw/zinc/67/04/87/1137670487.db2.gz FYQZVFJKFIBVQP-VQIMIIECSA-N 2 1 325.431 3.678 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878148613 1137704452 /nfs/dbraw/zinc/70/44/52/1137704452.db2.gz QMBXFNRCVMUTCW-CEWLAPEOSA-N 2 1 330.516 3.961 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000878662015 1137724156 /nfs/dbraw/zinc/72/41/56/1137724156.db2.gz KFQZNHALPGLHDZ-PCCBWWKXSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000878662015 1137724157 /nfs/dbraw/zinc/72/41/57/1137724157.db2.gz KFQZNHALPGLHDZ-PCCBWWKXSA-N 2 1 328.500 3.715 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)C2 ZINC000878662015 1137724158 /nfs/dbraw/zinc/72/41/58/1137724158.db2.gz KFQZNHALPGLHDZ-PCCBWWKXSA-N 2 1 328.500 3.715 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158342 1137739615 /nfs/dbraw/zinc/73/96/15/1137739615.db2.gz IQLXPQNPECQWEZ-UHFFFAOYSA-N 2 1 332.835 3.901 20 0 EHADMP Cc1cnn(CCCCC[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000879702263 1137755683 /nfs/dbraw/zinc/75/56/83/1137755683.db2.gz IIJDMFGTYURZHQ-UHFFFAOYSA-N 2 1 334.552 3.662 20 0 EHADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCOCC2)cc1 ZINC000883167730 1137846920 /nfs/dbraw/zinc/84/69/20/1137846920.db2.gz FWHKYRUOQNAVAT-HXUWFJFHSA-N 2 1 332.463 3.510 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC4(CCC4)O2)C3)cc1 ZINC000883357098 1137857306 /nfs/dbraw/zinc/85/73/06/1137857306.db2.gz CSGBZDFEUYWBKJ-PLACYPQZSA-N 2 1 340.511 3.873 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000883430625 1137860453 /nfs/dbraw/zinc/86/04/53/1137860453.db2.gz YXLZSFSVWDFKBG-CGXNFDGLSA-N 2 1 328.500 3.761 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2cccc(F)c2)[C@H](C)C1 ZINC000885988403 1138030631 /nfs/dbraw/zinc/03/06/31/1138030631.db2.gz IKBNDIWZODCUAC-IFKDRHBRSA-N 2 1 334.479 3.566 20 0 EHADMP C[NH+](C)CCC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000056522960 1138058309 /nfs/dbraw/zinc/05/83/09/1138058309.db2.gz SATMCSRWKNNIFZ-UHFFFAOYSA-N 2 1 336.430 3.595 20 0 EHADMP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000886506373 1138086151 /nfs/dbraw/zinc/08/61/51/1138086151.db2.gz OKYYCDZUDSNSGU-KHYOSLBOSA-N 2 1 327.447 3.901 20 0 EHADMP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876118 1138162931 /nfs/dbraw/zinc/16/29/31/1138162931.db2.gz JNBPNKMBHPWKLI-ACRUOGEOSA-N 2 1 328.500 3.762 20 0 EHADMP C[C@H]1C[C@@H](N(C)Cc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000093645088 1138239508 /nfs/dbraw/zinc/23/95/08/1138239508.db2.gz XYGGOQOMMZQAGV-AAEUAGOBSA-N 2 1 332.822 3.856 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645088 1138239509 /nfs/dbraw/zinc/23/95/09/1138239509.db2.gz XYGGOQOMMZQAGV-AAEUAGOBSA-N 2 1 332.822 3.856 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CCN1C ZINC000093645088 1138239510 /nfs/dbraw/zinc/23/95/10/1138239510.db2.gz XYGGOQOMMZQAGV-AAEUAGOBSA-N 2 1 332.822 3.856 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742098 1138240194 /nfs/dbraw/zinc/24/01/94/1138240194.db2.gz RTPUCEKWOAJMPB-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742098 1138240197 /nfs/dbraw/zinc/24/01/97/1138240197.db2.gz RTPUCEKWOAJMPB-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742098 1138240198 /nfs/dbraw/zinc/24/01/98/1138240198.db2.gz RTPUCEKWOAJMPB-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093742098 1138240200 /nfs/dbraw/zinc/24/02/00/1138240200.db2.gz RTPUCEKWOAJMPB-LJQANCHMSA-N 2 1 340.515 3.653 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000122118851 1138254819 /nfs/dbraw/zinc/25/48/19/1138254819.db2.gz ZVUBYNRVFKBRNM-SPEDKVCISA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000122118851 1138254821 /nfs/dbraw/zinc/25/48/21/1138254821.db2.gz ZVUBYNRVFKBRNM-SPEDKVCISA-N 2 1 338.495 3.740 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000124700229 1138292717 /nfs/dbraw/zinc/29/27/17/1138292717.db2.gz UNNZLVWPIVSHRP-INIZCTEOSA-N 2 1 329.513 3.960 20 0 EHADMP CO[C@@H](CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000348421221 1138311083 /nfs/dbraw/zinc/31/10/83/1138311083.db2.gz LTFUXERHAXFKAV-WBMJQRKESA-N 2 1 341.377 3.799 20 0 EHADMP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000337235374 1138502969 /nfs/dbraw/zinc/50/29/69/1138502969.db2.gz AREWSKASGJNGTK-UHFFFAOYSA-N 2 1 345.874 3.716 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000337431983 1138567371 /nfs/dbraw/zinc/56/73/71/1138567371.db2.gz FYOUCPGTHIEVQP-GOSISDBHSA-N 2 1 339.483 3.786 20 0 EHADMP COCC[N@@H+](CCc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC000337674674 1138640958 /nfs/dbraw/zinc/64/09/58/1138640958.db2.gz WXJMABKGPNCYCK-UHFFFAOYSA-N 2 1 335.451 3.563 20 0 EHADMP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000337992949 1138718351 /nfs/dbraw/zinc/71/83/51/1138718351.db2.gz GZYIVYJPYLRNEG-YLJYHZDGSA-N 2 1 334.479 3.527 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000338013682 1138724306 /nfs/dbraw/zinc/72/43/06/1138724306.db2.gz GBRSFIYZJBBBKL-CYBMUJFWSA-N 2 1 325.378 3.821 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338198590 1138784502 /nfs/dbraw/zinc/78/45/02/1138784502.db2.gz SWTZVZVLIBILJQ-WIYYLYMNSA-N 2 1 338.499 3.615 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338198590 1138784504 /nfs/dbraw/zinc/78/45/04/1138784504.db2.gz SWTZVZVLIBILJQ-WIYYLYMNSA-N 2 1 338.499 3.615 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@@H]1C ZINC000338308704 1138827485 /nfs/dbraw/zinc/82/74/85/1138827485.db2.gz RYWKAOJOPKSLEC-DOTOQJQBSA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@@H]1C ZINC000338308704 1138827488 /nfs/dbraw/zinc/82/74/88/1138827488.db2.gz RYWKAOJOPKSLEC-DOTOQJQBSA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@@H]1C ZINC000338308704 1138827490 /nfs/dbraw/zinc/82/74/90/1138827490.db2.gz RYWKAOJOPKSLEC-DOTOQJQBSA-N 2 1 327.472 3.553 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000151108753 1139009274 /nfs/dbraw/zinc/00/92/74/1139009274.db2.gz XBVCYBGEEJNTEB-DOTOQJQBSA-N 2 1 344.478 3.702 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000151108753 1139009284 /nfs/dbraw/zinc/00/92/84/1139009284.db2.gz XBVCYBGEEJNTEB-DOTOQJQBSA-N 2 1 344.478 3.702 20 0 EHADMP CSc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000357367312 1139648984 /nfs/dbraw/zinc/64/89/84/1139648984.db2.gz MPZXNADFJVWCMD-UHFFFAOYSA-N 2 1 327.497 3.558 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)nc(C)[nH+]1 ZINC000178615566 1139707193 /nfs/dbraw/zinc/70/71/93/1139707193.db2.gz WOWGFQAYAXRRGH-FZKQIMNGSA-N 2 1 340.471 3.568 20 0 EHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178981340 1139728651 /nfs/dbraw/zinc/72/86/51/1139728651.db2.gz JYDJPRIJVZXIIT-GOSISDBHSA-N 2 1 340.515 3.796 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)cn1 ZINC000180177302 1139816280 /nfs/dbraw/zinc/81/62/80/1139816280.db2.gz IJZPAMDJYLOSGR-BTYIYWSLSA-N 2 1 332.451 3.907 20 0 EHADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000180363577 1139829623 /nfs/dbraw/zinc/82/96/23/1139829623.db2.gz LOWHAYIVPODPIN-HXUWFJFHSA-N 2 1 338.499 3.537 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000180363577 1139829627 /nfs/dbraw/zinc/82/96/27/1139829627.db2.gz LOWHAYIVPODPIN-HXUWFJFHSA-N 2 1 338.499 3.537 20 0 EHADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCn1ccnc1 ZINC000181078848 1139884357 /nfs/dbraw/zinc/88/43/57/1139884357.db2.gz SAOIKHHYUXWFAJ-ZDUSSCGKSA-N 2 1 345.834 3.670 20 0 EHADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CCCn1ccnc1 ZINC000181078848 1139884364 /nfs/dbraw/zinc/88/43/64/1139884364.db2.gz SAOIKHHYUXWFAJ-ZDUSSCGKSA-N 2 1 345.834 3.670 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182228365 1139959089 /nfs/dbraw/zinc/95/90/89/1139959089.db2.gz OLPDQBYWUNLKKQ-CRAIPNDOSA-N 2 1 330.497 3.556 20 0 EHADMP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000182243965 1139959870 /nfs/dbraw/zinc/95/98/70/1139959870.db2.gz OZNQTHLANASBSC-PGRDOPGGSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182273294 1139962255 /nfs/dbraw/zinc/96/22/55/1139962255.db2.gz UONHYPAYWJGBOT-AVRDEDQJSA-N 2 1 338.495 3.721 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1NC(C)=O ZINC000184510323 1140106416 /nfs/dbraw/zinc/10/64/16/1140106416.db2.gz AWHIUZIFKAEOFU-JKSUJKDBSA-N 2 1 347.503 3.569 20 0 EHADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000184581390 1140109858 /nfs/dbraw/zinc/10/98/58/1140109858.db2.gz ZORXLVBPGLUJAU-VSKRKVRLSA-N 2 1 336.479 3.603 20 0 EHADMP CCOC1CC(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000189262340 1140331063 /nfs/dbraw/zinc/33/10/63/1140331063.db2.gz VUDKAWBBESWAMH-UHFFFAOYSA-N 2 1 348.506 3.627 20 0 EHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191455940 1140465575 /nfs/dbraw/zinc/46/55/75/1140465575.db2.gz DILIPCUHPQUMCS-NRFANRHFSA-N 2 1 329.532 3.548 20 0 EHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191502642 1140468256 /nfs/dbraw/zinc/46/82/56/1140468256.db2.gz MRZFLONRXDAULW-LEWJYISDSA-N 2 1 343.559 3.589 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CCS2 ZINC000191510792 1140469495 /nfs/dbraw/zinc/46/94/95/1140469495.db2.gz DNFFISLCLVJNMI-MAUKXSAKSA-N 2 1 334.529 3.942 20 0 EHADMP Oc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192801580 1140552083 /nfs/dbraw/zinc/55/20/83/1140552083.db2.gz VYHMMXKQRRVCGK-SEJPIABJSA-N 2 1 336.479 3.720 20 0 EHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268781758 1140990744 /nfs/dbraw/zinc/99/07/44/1140990744.db2.gz CIDKEFACFSFVRZ-ZDUSSCGKSA-N 2 1 326.469 3.974 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000268837691 1141003776 /nfs/dbraw/zinc/00/37/76/1141003776.db2.gz HBUGTFYWWSNABT-CYBMUJFWSA-N 2 1 325.378 3.821 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1 ZINC000268944987 1141032329 /nfs/dbraw/zinc/03/23/29/1141032329.db2.gz BADSJFVJNXEWJJ-UTKZUKDTSA-N 2 1 349.478 3.998 20 0 EHADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269009995 1141044721 /nfs/dbraw/zinc/04/47/21/1141044721.db2.gz NKCHOCMGAZRHRE-NQIIRXRSSA-N 2 1 341.543 3.646 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)[C@@H](C)C1 ZINC000269030387 1141051703 /nfs/dbraw/zinc/05/17/03/1141051703.db2.gz ROFYZFCXHCKDEB-YSSFQJQWSA-N 2 1 334.479 3.540 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000274379105 1141509459 /nfs/dbraw/zinc/50/94/59/1141509459.db2.gz MOPRIAKIFWWTHH-UHFFFAOYSA-N 2 1 332.488 3.636 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000274379105 1141509462 /nfs/dbraw/zinc/50/94/62/1141509462.db2.gz MOPRIAKIFWWTHH-UHFFFAOYSA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC001165033332 721862024 /nfs/dbraw/zinc/86/20/24/721862024.db2.gz KGZCWVYYMFDVKH-FQEVSTJZSA-N 2 1 342.531 3.693 20 0 EHADMP CC[NH+](CC)C1CCN(c2ccc([C@@H]3CCCC[N@H+]3CC)cn2)CC1 ZINC001165054431 722006952 /nfs/dbraw/zinc/00/69/52/722006952.db2.gz MKLCQBKPXDREQD-FQEVSTJZSA-N 2 1 344.547 3.939 20 0 EHADMP Clc1sccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470963 1032068675 /nfs/dbraw/zinc/06/86/75/1032068675.db2.gz DLPPNYDFDJFGSY-RHSMWYFYSA-N 2 1 334.872 3.747 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970497 1032072372 /nfs/dbraw/zinc/07/23/72/1032072372.db2.gz XGOAMVVMTATUDT-WZONZLPQSA-N 2 1 334.507 3.902 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000537970497 1032072389 /nfs/dbraw/zinc/07/23/89/1032072389.db2.gz XGOAMVVMTATUDT-WZONZLPQSA-N 2 1 334.507 3.902 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000579778664 1014469443 /nfs/dbraw/zinc/46/94/43/1014469443.db2.gz VFJHUBALXCYZMO-FCHUYYIVSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000579778664 1014469455 /nfs/dbraw/zinc/46/94/55/1014469455.db2.gz VFJHUBALXCYZMO-FCHUYYIVSA-N 2 1 342.527 3.647 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000579778664 1014469463 /nfs/dbraw/zinc/46/94/63/1014469463.db2.gz VFJHUBALXCYZMO-FCHUYYIVSA-N 2 1 342.527 3.647 20 0 EHADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000339682852 1015510719 /nfs/dbraw/zinc/51/07/19/1015510719.db2.gz MAXOMRLPFMEGKD-AEFFLSMTSA-N 2 1 336.545 3.542 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000274900599 1015607539 /nfs/dbraw/zinc/60/75/39/1015607539.db2.gz LCWWNWIRLCUADZ-CQSZACIVSA-N 2 1 333.863 3.526 20 0 EHADMP Cc1cc(N2CCC([NH2+]Cc3cc(F)cc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000275002082 1015735459 /nfs/dbraw/zinc/73/54/59/1015735459.db2.gz NYGSLPZYKFADIJ-UHFFFAOYSA-N 2 1 348.853 3.645 20 0 EHADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c4cnc(Cl)cc34)CC2)C1 ZINC001279373146 1015747318 /nfs/dbraw/zinc/74/73/18/1015747318.db2.gz SWPGUGBXMYKPCP-UHFFFAOYSA-N 2 1 332.879 3.524 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)CC1 ZINC000558418318 1015757376 /nfs/dbraw/zinc/75/73/76/1015757376.db2.gz PRJLQXPMDZYDPH-ZDUSSCGKSA-N 2 1 332.435 3.931 20 0 EHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2C1 ZINC000339925505 1015951793 /nfs/dbraw/zinc/95/17/93/1015951793.db2.gz IGBFGAGVPPXZIU-UHFFFAOYSA-N 2 1 348.450 3.948 20 0 EHADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183149849 1032138016 /nfs/dbraw/zinc/13/80/16/1032138016.db2.gz GGIUXRVUPSVWGW-CABCVRRESA-N 2 1 342.487 3.525 20 0 EHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000076443398 1016349796 /nfs/dbraw/zinc/34/97/96/1016349796.db2.gz AMWXBOVHVUHJCF-ICSRJNTNSA-N 2 1 338.495 3.910 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCCC2=O)cc1 ZINC000160278465 1016449738 /nfs/dbraw/zinc/44/97/38/1016449738.db2.gz JAHLEUUQSDNICO-MSOLQXFVSA-N 2 1 343.515 3.729 20 0 EHADMP CCOCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000782967991 1016893462 /nfs/dbraw/zinc/89/34/62/1016893462.db2.gz CSBUEXAQQCEJHA-IEBWSBKVSA-N 2 1 346.515 3.802 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000536696019 1032154615 /nfs/dbraw/zinc/15/46/15/1032154615.db2.gz OVKDOKODGDBVCP-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000536696019 1032154621 /nfs/dbraw/zinc/15/46/21/1032154621.db2.gz OVKDOKODGDBVCP-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000536696019 1032154634 /nfs/dbraw/zinc/15/46/34/1032154634.db2.gz OVKDOKODGDBVCP-HXUWFJFHSA-N 2 1 335.495 3.912 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657838858 1032180342 /nfs/dbraw/zinc/18/03/42/1032180342.db2.gz ZOOMGBKQGSWUSF-XLIONFOSSA-N 2 1 328.500 3.862 20 0 EHADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000449108296 1032188691 /nfs/dbraw/zinc/18/86/91/1032188691.db2.gz UEAMCDKXZRJUCJ-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000449108296 1032188692 /nfs/dbraw/zinc/18/86/92/1032188692.db2.gz UEAMCDKXZRJUCJ-HNNXBMFYSA-N 2 1 348.487 3.898 20 0 EHADMP Cc1cc(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000459477885 1032192643 /nfs/dbraw/zinc/19/26/43/1032192643.db2.gz MOXOUBFSNZIDMX-UHFFFAOYSA-N 2 1 344.890 3.548 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC34CCC4)CC2)oc1C ZINC000449124883 1032217463 /nfs/dbraw/zinc/21/74/63/1032217463.db2.gz PXWLGAXDCPCTIU-SFHVURJKSA-N 2 1 331.504 3.816 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175139 1032268540 /nfs/dbraw/zinc/26/85/40/1032268540.db2.gz QJMVUOXFDOJVMF-TZMCWYRMSA-N 2 1 348.288 3.570 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000081633464 1032356596 /nfs/dbraw/zinc/35/65/96/1032356596.db2.gz IOSQYSGRWXTQHW-QGZVFWFLSA-N 2 1 341.524 3.974 20 0 EHADMP Cc1cccc(N2CCC([NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)CC2)[nH+]1 ZINC000185227091 1032369672 /nfs/dbraw/zinc/36/96/72/1032369672.db2.gz CKABOKAPFFUJJS-ROUUACIJSA-N 2 1 331.504 3.541 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000536888133 1032396919 /nfs/dbraw/zinc/39/69/19/1032396919.db2.gz REJINVCKBCJQBE-NRFANRHFSA-N 3 1 337.596 3.941 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1)CC(C)C ZINC000536888133 1032396927 /nfs/dbraw/zinc/39/69/27/1032396927.db2.gz REJINVCKBCJQBE-NRFANRHFSA-N 3 1 337.596 3.941 20 0 EHADMP CC[NH+](CCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1)CC(C)C ZINC000536888133 1032396937 /nfs/dbraw/zinc/39/69/37/1032396937.db2.gz REJINVCKBCJQBE-NRFANRHFSA-N 3 1 337.596 3.941 20 0 EHADMP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1)CC(C)C ZINC000536888133 1032396947 /nfs/dbraw/zinc/39/69/47/1032396947.db2.gz REJINVCKBCJQBE-NRFANRHFSA-N 2 1 337.596 3.941 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCCCN2C)CC1)CC(C)C ZINC000536888133 1032396953 /nfs/dbraw/zinc/39/69/53/1032396953.db2.gz REJINVCKBCJQBE-NRFANRHFSA-N 2 1 337.596 3.941 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000449401561 1032524259 /nfs/dbraw/zinc/52/42/59/1032524259.db2.gz HPURTQMSKUQXLB-BHIFYINESA-N 2 1 335.495 3.780 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000449401563 1032524434 /nfs/dbraw/zinc/52/44/34/1032524434.db2.gz HPURTQMSKUQXLB-YPAWHYETSA-N 2 1 335.495 3.780 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000449438300 1032581903 /nfs/dbraw/zinc/58/19/03/1032581903.db2.gz OYOUCCGCOWIQAC-UHFFFAOYSA-N 2 1 341.421 3.987 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449477434 1032600856 /nfs/dbraw/zinc/60/08/56/1032600856.db2.gz IFBVVELJTKQGLX-CEWLAPEOSA-N 2 1 342.527 3.836 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000537295847 1032601721 /nfs/dbraw/zinc/60/17/21/1032601721.db2.gz SKBPXAAMXSPYIM-BZZMCLGOSA-N 2 1 336.545 3.924 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000537295847 1032601728 /nfs/dbraw/zinc/60/17/28/1032601728.db2.gz SKBPXAAMXSPYIM-BZZMCLGOSA-N 2 1 336.545 3.924 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449486832 1032639399 /nfs/dbraw/zinc/63/93/99/1032639399.db2.gz VNZWDRMTOMLYSO-TZIWHRDSSA-N 2 1 337.511 3.965 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449486832 1032639408 /nfs/dbraw/zinc/63/94/08/1032639408.db2.gz VNZWDRMTOMLYSO-TZIWHRDSSA-N 2 1 337.511 3.965 20 0 EHADMP c1csc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000091265928 1032677667 /nfs/dbraw/zinc/67/76/67/1032677667.db2.gz WVRLSUXIVGAHPG-FQEVSTJZSA-N 2 1 342.508 3.821 20 0 EHADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000892739641 1017293303 /nfs/dbraw/zinc/29/33/03/1017293303.db2.gz JUJQLOCVZQHBHU-CKHPTIKVSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655690503 1017391325 /nfs/dbraw/zinc/39/13/25/1017391325.db2.gz BPMGYMHKTHCMAB-XLIONFOSSA-N 2 1 338.499 3.740 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655690503 1017391331 /nfs/dbraw/zinc/39/13/31/1017391331.db2.gz BPMGYMHKTHCMAB-XLIONFOSSA-N 2 1 338.499 3.740 20 0 EHADMP Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000340405978 1017411636 /nfs/dbraw/zinc/41/16/36/1017411636.db2.gz ZYIGKJCYNFPJIT-CALCHBBNSA-N 2 1 338.499 3.553 20 0 EHADMP c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CCC2 ZINC000655703404 1017428242 /nfs/dbraw/zinc/42/82/42/1017428242.db2.gz GERDQKGFWOTFGQ-FQEVSTJZSA-N 2 1 338.499 3.884 20 0 EHADMP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655722006 1017464286 /nfs/dbraw/zinc/46/42/86/1017464286.db2.gz UMYXFHJWBUDDOR-BFYDXBDKSA-N 2 1 348.453 3.588 20 0 EHADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415082684 1017526085 /nfs/dbraw/zinc/52/60/85/1017526085.db2.gz DQJYKQDUPMYAPG-MJGOQNOKSA-N 2 1 328.431 3.807 20 0 EHADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655760565 1017544843 /nfs/dbraw/zinc/54/48/43/1017544843.db2.gz UBMPFAJAAVYADK-OAQYLSRUSA-N 2 1 346.515 3.517 20 0 EHADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415106590 1017548701 /nfs/dbraw/zinc/54/87/01/1017548701.db2.gz OBDOOEZFOIVZOJ-CBPXPLCBSA-N 2 1 336.479 3.847 20 0 EHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655758141 1017552088 /nfs/dbraw/zinc/55/20/88/1017552088.db2.gz RJTZJJAQSBRLOO-UNMCSNQZSA-N 2 1 344.543 3.734 20 0 EHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000415111521 1017557410 /nfs/dbraw/zinc/55/74/10/1017557410.db2.gz RBMIQCHFVOHVNU-APWZRJJASA-N 2 1 343.515 3.826 20 0 EHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000415118743 1017577561 /nfs/dbraw/zinc/57/75/61/1017577561.db2.gz DXDVGKZKKNMRMQ-IRXDYDNUSA-N 2 1 343.298 3.712 20 0 EHADMP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655788479 1017605832 /nfs/dbraw/zinc/60/58/32/1017605832.db2.gz JOZZNOYBESUTRK-ZHNGQKSSSA-N 2 1 342.527 3.834 20 0 EHADMP CO[C@]1(C)CCC[NH+](CCCC[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000377394349 1017746267 /nfs/dbraw/zinc/74/62/67/1017746267.db2.gz XFAXRMYDFZZDAM-WOJBJXKFSA-N 2 1 340.552 3.549 20 0 EHADMP COc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167320986 1018001862 /nfs/dbraw/zinc/00/18/62/1018001862.db2.gz BIOKJSOHSAJCHU-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP COc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167320986 1018001876 /nfs/dbraw/zinc/00/18/76/1018001876.db2.gz BIOKJSOHSAJCHU-IBGZPJMESA-N 2 1 346.515 3.662 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000340520774 1018213274 /nfs/dbraw/zinc/21/32/74/1018213274.db2.gz XYPMYYAKCXRXAE-XVAXZDLZSA-N 2 1 330.516 3.978 20 0 EHADMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000472843564 1018249316 /nfs/dbraw/zinc/24/93/16/1018249316.db2.gz AFBIIYWLSXLDSA-FQEVSTJZSA-N 2 1 349.950 3.722 20 0 EHADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000472843564 1018249325 /nfs/dbraw/zinc/24/93/25/1018249325.db2.gz AFBIIYWLSXLDSA-FQEVSTJZSA-N 2 1 349.950 3.722 20 0 EHADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000472843564 1018249330 /nfs/dbraw/zinc/24/93/30/1018249330.db2.gz AFBIIYWLSXLDSA-FQEVSTJZSA-N 2 1 349.950 3.722 20 0 EHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843564 1018249340 /nfs/dbraw/zinc/24/93/40/1018249340.db2.gz AFBIIYWLSXLDSA-FQEVSTJZSA-N 2 1 349.950 3.722 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843564 1018249352 /nfs/dbraw/zinc/24/93/52/1018249352.db2.gz AFBIIYWLSXLDSA-FQEVSTJZSA-N 2 1 349.950 3.722 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000289379036 1018354368 /nfs/dbraw/zinc/35/43/68/1018354368.db2.gz CDEPMZRTDDHLAC-IERDGZPVSA-N 2 1 335.451 3.955 20 0 EHADMP Cc1ccc(F)c(CC[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000449551159 1032780886 /nfs/dbraw/zinc/78/08/86/1032780886.db2.gz FIRQXNJHJSYQSE-UHFFFAOYSA-N 2 1 347.503 3.689 20 0 EHADMP Cc1ccc(F)c(CC[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000449551159 1032780896 /nfs/dbraw/zinc/78/08/96/1032780896.db2.gz FIRQXNJHJSYQSE-UHFFFAOYSA-N 2 1 347.503 3.689 20 0 EHADMP CCS[C@H]1CCCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001167363850 1018734600 /nfs/dbraw/zinc/73/46/00/1018734600.db2.gz MGRJAEXKYDBFMC-FQEVSTJZSA-N 2 1 348.556 3.626 20 0 EHADMP CCS[C@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001167363850 1018734618 /nfs/dbraw/zinc/73/46/18/1018734618.db2.gz MGRJAEXKYDBFMC-FQEVSTJZSA-N 2 1 348.556 3.626 20 0 EHADMP CCS[C@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001167363850 1018734631 /nfs/dbraw/zinc/73/46/31/1018734631.db2.gz MGRJAEXKYDBFMC-FQEVSTJZSA-N 2 1 348.556 3.626 20 0 EHADMP COCc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487460 1019746329 /nfs/dbraw/zinc/74/63/29/1019746329.db2.gz FDGASMVVTLDWPT-PKOBYXMFSA-N 2 1 342.483 3.816 20 0 EHADMP Cc1csc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513506847 1019749837 /nfs/dbraw/zinc/74/98/37/1019749837.db2.gz SAJSEPGSDTZOEY-AEFFLSMTSA-N 2 1 329.513 3.842 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136937 1019858664 /nfs/dbraw/zinc/85/86/64/1019858664.db2.gz JHBXMBMTYNIHNZ-JYRKZWEQSA-N 2 1 342.527 3.549 20 0 EHADMP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160601527 1019883904 /nfs/dbraw/zinc/88/39/04/1019883904.db2.gz NPIPYFUHQBNCTO-MRXNPFEDSA-N 2 1 336.545 3.529 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513659090 1019913269 /nfs/dbraw/zinc/91/32/69/1019913269.db2.gz AWUNOPZICGDVOR-GVDBMIGSSA-N 2 1 337.305 3.720 20 0 EHADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C[NH+]1CCCCC1 ZINC000513646676 1019918552 /nfs/dbraw/zinc/91/85/52/1019918552.db2.gz APEFMFKZLVPRMD-MRXNPFEDSA-N 2 1 346.906 3.737 20 0 EHADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000574288491 1032879423 /nfs/dbraw/zinc/87/94/23/1032879423.db2.gz NNAFUGUDFFKQBY-VQIMIIECSA-N 2 1 340.467 3.586 20 0 EHADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000574288491 1032879439 /nfs/dbraw/zinc/87/94/39/1032879439.db2.gz NNAFUGUDFFKQBY-VQIMIIECSA-N 2 1 340.467 3.586 20 0 EHADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)CC(C)C ZINC000684112208 1020243661 /nfs/dbraw/zinc/24/36/61/1020243661.db2.gz KYRSRTCEASRIBB-FHWLQOOXSA-N 2 1 334.552 3.792 20 0 EHADMP Fc1ccccc1C1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000128149790 1020406958 /nfs/dbraw/zinc/40/69/58/1020406958.db2.gz ZDYIMUQOGMKSTF-UHFFFAOYSA-N 2 1 346.490 3.696 20 0 EHADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131563 1020459628 /nfs/dbraw/zinc/45/96/28/1020459628.db2.gz UZDQHTNHPOQUBR-UFYCRDLUSA-N 2 1 328.500 3.731 20 0 EHADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131563 1020459631 /nfs/dbraw/zinc/45/96/31/1020459631.db2.gz UZDQHTNHPOQUBR-UFYCRDLUSA-N 2 1 328.500 3.731 20 0 EHADMP CC[N@H+](Cc1cccc2c[nH]nc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818763 1032910833 /nfs/dbraw/zinc/91/08/33/1032910833.db2.gz UJUHXZKMECBSBG-LJQANCHMSA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1cccc2c[nH]nc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818763 1032910842 /nfs/dbraw/zinc/91/08/42/1032910842.db2.gz UJUHXZKMECBSBG-LJQANCHMSA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1cccc2c[nH]nc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818763 1032910849 /nfs/dbraw/zinc/91/08/49/1032910849.db2.gz UJUHXZKMECBSBG-LJQANCHMSA-N 2 1 348.494 3.907 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000513702817 1020647358 /nfs/dbraw/zinc/64/73/58/1020647358.db2.gz NIDDKTCTIUJRNC-QYZOEREBSA-N 2 1 336.907 3.961 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCS2 ZINC000276104122 1020648639 /nfs/dbraw/zinc/64/86/39/1020648639.db2.gz GJJZWKWQHLNZIV-GOSISDBHSA-N 2 1 332.513 3.839 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035650 1020672172 /nfs/dbraw/zinc/67/21/72/1020672172.db2.gz ILCZUXZTTIQHMI-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035650 1020672179 /nfs/dbraw/zinc/67/21/79/1020672179.db2.gz ILCZUXZTTIQHMI-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035650 1020672185 /nfs/dbraw/zinc/67/21/85/1020672185.db2.gz ILCZUXZTTIQHMI-YOEHRIQHSA-N 2 1 339.321 3.920 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000581468692 1020938491 /nfs/dbraw/zinc/93/84/91/1020938491.db2.gz VBUNHZJATHUDES-CEXWTWQISA-N 2 1 332.536 3.691 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179219 1021046943 /nfs/dbraw/zinc/04/69/43/1021046943.db2.gz FXAXDJAJEGIAQZ-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[NH+](C)C1 ZINC001279502034 1021069171 /nfs/dbraw/zinc/06/91/71/1021069171.db2.gz MGFWESJTSNTTFK-XSDIEEQYSA-N 2 1 335.580 3.693 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[N@H+](C)C1 ZINC001279502034 1021069178 /nfs/dbraw/zinc/06/91/78/1021069178.db2.gz MGFWESJTSNTTFK-XSDIEEQYSA-N 2 1 335.580 3.693 20 0 EHADMP CCCC[C@H](CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[N@@H+](C)C1 ZINC001279502034 1021069185 /nfs/dbraw/zinc/06/91/85/1021069185.db2.gz MGFWESJTSNTTFK-XSDIEEQYSA-N 2 1 335.580 3.693 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000341206383 1021096841 /nfs/dbraw/zinc/09/68/41/1021096841.db2.gz IMISCUXOSREPBA-INIZCTEOSA-N 2 1 348.450 3.795 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600308 1021136490 /nfs/dbraw/zinc/13/64/90/1021136490.db2.gz KCHPNGCLURJWEL-GDBMZVCRSA-N 2 1 328.422 3.956 20 0 EHADMP COc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(C)C ZINC000656787010 1021351126 /nfs/dbraw/zinc/35/11/26/1021351126.db2.gz ZJBXVWQGDZMMEL-SFHVURJKSA-N 2 1 346.515 3.694 20 0 EHADMP Cc1n[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000894851845 1021378961 /nfs/dbraw/zinc/37/89/61/1021378961.db2.gz OZRRIMRWJJMAJU-UHFFFAOYSA-N 2 1 338.499 3.515 20 0 EHADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)s2)cs1 ZINC000164470635 1021420790 /nfs/dbraw/zinc/42/07/90/1021420790.db2.gz VSCGQSBHUPNVPS-WFASDCNBSA-N 2 1 335.542 3.652 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638831988 1021510983 /nfs/dbraw/zinc/51/09/83/1021510983.db2.gz CMJPUFFSIIYJNZ-QUCCMNQESA-N 2 1 330.516 3.743 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638831988 1021510994 /nfs/dbraw/zinc/51/09/94/1021510994.db2.gz CMJPUFFSIIYJNZ-QUCCMNQESA-N 2 1 330.516 3.743 20 0 EHADMP Cc1nc2ccc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2s1 ZINC000426415525 1021515924 /nfs/dbraw/zinc/51/59/24/1021515924.db2.gz CZHDWTNAVPUMSK-KRWDZBQOSA-N 2 1 329.513 3.768 20 0 EHADMP Cc1nc2ccc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2s1 ZINC000426415525 1021515946 /nfs/dbraw/zinc/51/59/46/1021515946.db2.gz CZHDWTNAVPUMSK-KRWDZBQOSA-N 2 1 329.513 3.768 20 0 EHADMP Cc1nc2ccc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2s1 ZINC000426415525 1021515951 /nfs/dbraw/zinc/51/59/51/1021515951.db2.gz CZHDWTNAVPUMSK-KRWDZBQOSA-N 2 1 329.513 3.768 20 0 EHADMP Cc1nc2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2s1 ZINC000426415525 1021515962 /nfs/dbraw/zinc/51/59/62/1021515962.db2.gz CZHDWTNAVPUMSK-KRWDZBQOSA-N 2 1 329.513 3.768 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000684387811 1021527912 /nfs/dbraw/zinc/52/79/12/1021527912.db2.gz JNZQDLOVUZQNMT-AYWYSENESA-N 2 1 330.516 3.834 20 0 EHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(C)C ZINC000164515755 1021558395 /nfs/dbraw/zinc/55/83/95/1021558395.db2.gz WBGFZTHWFKEUBP-HXUWFJFHSA-N 2 1 330.472 3.672 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCOC1 ZINC000164516626 1021560809 /nfs/dbraw/zinc/56/08/09/1021560809.db2.gz UEWYTODSTAPCOG-PZJWPPBQSA-N 2 1 342.483 3.816 20 0 EHADMP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000516620382 1021603713 /nfs/dbraw/zinc/60/37/13/1021603713.db2.gz JSCCBRRYJSARQG-LRSLUSHPSA-N 2 1 342.527 3.713 20 0 EHADMP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000573338668 1021605774 /nfs/dbraw/zinc/60/57/74/1021605774.db2.gz VDWVCKWNEIYRNW-BFQNTYOBSA-N 2 1 325.294 3.576 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[NH+](CC2CCCCC2)CC1 ZINC000519709109 1021640633 /nfs/dbraw/zinc/64/06/33/1021640633.db2.gz YKCZXETWTIQKAT-NRFANRHFSA-N 2 1 335.580 3.837 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000519709109 1021640638 /nfs/dbraw/zinc/64/06/38/1021640638.db2.gz YKCZXETWTIQKAT-NRFANRHFSA-N 2 1 335.580 3.837 20 0 EHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000519709109 1021640644 /nfs/dbraw/zinc/64/06/44/1021640644.db2.gz YKCZXETWTIQKAT-NRFANRHFSA-N 2 1 335.580 3.837 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440636097 1021666434 /nfs/dbraw/zinc/66/64/34/1021666434.db2.gz JZLVXPBWISRVOP-LLVKDONJSA-N 2 1 349.360 3.773 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000581760649 1021712157 /nfs/dbraw/zinc/71/21/57/1021712157.db2.gz ZWKRQOVPNZHQEO-HWELCPFYSA-N 2 1 342.527 3.632 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400658713 1021833570 /nfs/dbraw/zinc/83/35/70/1021833570.db2.gz VSBZJCZTGKKOOT-VQTJNVASSA-N 2 1 330.516 3.693 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400658713 1021833586 /nfs/dbraw/zinc/83/35/86/1021833586.db2.gz VSBZJCZTGKKOOT-VQTJNVASSA-N 2 1 330.516 3.693 20 0 EHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000276660861 1022060375 /nfs/dbraw/zinc/06/03/75/1022060375.db2.gz NWPNGIYVPLKEOU-OLZOCXBDSA-N 2 1 325.378 3.763 20 0 EHADMP CSC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000425919146 1022215587 /nfs/dbraw/zinc/21/55/87/1022215587.db2.gz FTZLUJRZLYZOHJ-WFASDCNBSA-N 2 1 334.451 3.897 20 0 EHADMP c1ccc2c(c1)c1c(n2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH2+]C1 ZINC001167995644 1022448819 /nfs/dbraw/zinc/44/88/19/1022448819.db2.gz MEPMDJQQCQIZOC-JWTNVVGKSA-N 2 1 335.495 3.865 20 0 EHADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000471830183 1022459714 /nfs/dbraw/zinc/45/97/14/1022459714.db2.gz AVAVLFREWXMXCQ-IEBWSBKVSA-N 2 1 329.513 3.624 20 0 EHADMP CCCn1c2ccccc2nc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131800153 1022631486 /nfs/dbraw/zinc/63/14/86/1022631486.db2.gz SLRYSDHLONPLKT-ALOPSCKCSA-N 2 1 326.488 3.551 20 0 EHADMP CCCn1c2ccccc2nc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131800153 1022631495 /nfs/dbraw/zinc/63/14/95/1022631495.db2.gz SLRYSDHLONPLKT-ALOPSCKCSA-N 2 1 326.488 3.551 20 0 EHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1(CC2CC2)CCOCC1 ZINC001167975625 1022648857 /nfs/dbraw/zinc/64/88/57/1022648857.db2.gz SOHXZOLZRBASSM-IHWFROFDSA-N 2 1 332.532 3.578 20 0 EHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000550200684 1022731861 /nfs/dbraw/zinc/73/18/61/1022731861.db2.gz SPVGPZQYNCMAFN-INIZCTEOSA-N 2 1 342.405 3.749 20 0 EHADMP C[N@H+]1CCC[C@@]2(CCN(CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000550238386 1022827107 /nfs/dbraw/zinc/82/71/07/1022827107.db2.gz DUGJGBNPHADNHI-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000550238386 1022827121 /nfs/dbraw/zinc/82/71/21/1022827121.db2.gz DUGJGBNPHADNHI-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000550238386 1022827138 /nfs/dbraw/zinc/82/71/38/1022827138.db2.gz DUGJGBNPHADNHI-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OCC ZINC000414944726 1022953469 /nfs/dbraw/zinc/95/34/69/1022953469.db2.gz QHFKHIGDCRSTSP-UHFFFAOYSA-N 2 1 340.895 3.759 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189266770 1023002918 /nfs/dbraw/zinc/00/29/18/1023002918.db2.gz MVVVGGNLDCZRHO-UNMCSNQZSA-N 2 1 344.543 3.877 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000506369545 1023012426 /nfs/dbraw/zinc/01/24/26/1023012426.db2.gz NCNHPNXPFAHICL-UHFFFAOYSA-N 2 1 330.394 3.890 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000506369545 1023012446 /nfs/dbraw/zinc/01/24/46/1023012446.db2.gz NCNHPNXPFAHICL-UHFFFAOYSA-N 2 1 330.394 3.890 20 0 EHADMP COC1CCC(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483883 1023478684 /nfs/dbraw/zinc/47/86/84/1023478684.db2.gz NPEAXNCUYCZWHW-YLJXDBKYSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449738435 1033139204 /nfs/dbraw/zinc/13/92/04/1033139204.db2.gz BTQNCSNPARXPBY-QUCCMNQESA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449738435 1033139212 /nfs/dbraw/zinc/13/92/12/1033139212.db2.gz BTQNCSNPARXPBY-QUCCMNQESA-N 2 1 344.543 3.960 20 0 EHADMP COCC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960210 1023536370 /nfs/dbraw/zinc/53/63/70/1023536370.db2.gz QRCPGTNBUNGTLF-HOJAQTOUSA-N 2 1 332.532 3.938 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000535813138 1023653402 /nfs/dbraw/zinc/65/34/02/1023653402.db2.gz HLIBNSHISQXVNF-UHFFFAOYSA-N 2 1 344.528 3.757 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000144790796 1023735385 /nfs/dbraw/zinc/73/53/85/1023735385.db2.gz AHDGNHVNQINXRB-FQEVSTJZSA-N 2 1 339.483 3.770 20 0 EHADMP CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002006 1023999925 /nfs/dbraw/zinc/99/99/25/1023999925.db2.gz BSWHVGRHFPYAFD-WCRBZPEASA-N 2 1 342.527 3.965 20 0 EHADMP CC[NH+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002006 1023999934 /nfs/dbraw/zinc/99/99/34/1023999934.db2.gz BSWHVGRHFPYAFD-WCRBZPEASA-N 2 1 342.527 3.965 20 0 EHADMP CC[NH+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002006 1023999947 /nfs/dbraw/zinc/99/99/47/1023999947.db2.gz BSWHVGRHFPYAFD-WCRBZPEASA-N 2 1 342.527 3.965 20 0 EHADMP Cc1ccnc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019732 1024003687 /nfs/dbraw/zinc/00/36/87/1024003687.db2.gz JTOOGIQDAGMHEY-HATOLVCRSA-N 2 1 337.511 3.964 20 0 EHADMP COC(=O)C1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000192444473 1024011164 /nfs/dbraw/zinc/01/11/64/1024011164.db2.gz GNULEUSHCGQIQG-RWBZWWBESA-N 2 1 341.455 3.563 20 0 EHADMP CCc1nc(C)c(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)o1 ZINC000428313358 1024135494 /nfs/dbraw/zinc/13/54/94/1024135494.db2.gz WVODUGUYXVNBFK-UHFFFAOYSA-N 2 1 333.520 3.879 20 0 EHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414847374 1024166030 /nfs/dbraw/zinc/16/60/30/1024166030.db2.gz UTSPSYZRPSBXAT-UHFFFAOYSA-N 2 1 348.441 3.519 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000443621963 1024252945 /nfs/dbraw/zinc/25/29/45/1024252945.db2.gz AKDPXTSPVNTKRX-UHFFFAOYSA-N 2 1 334.504 3.518 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000277230615 1024269882 /nfs/dbraw/zinc/26/98/82/1024269882.db2.gz YRDMJYJEHGBMCU-BJLQDIEVSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000323988399 1024332953 /nfs/dbraw/zinc/33/29/53/1024332953.db2.gz KDPZXZIONWKOIJ-CALCHBBNSA-N 2 1 327.497 3.550 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000277264227 1024378472 /nfs/dbraw/zinc/37/84/72/1024378472.db2.gz REXBNLJJSCULJY-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000277264227 1024378484 /nfs/dbraw/zinc/37/84/84/1024378484.db2.gz REXBNLJJSCULJY-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP Cc1cc(C)n(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168006201 1024398464 /nfs/dbraw/zinc/39/84/64/1024398464.db2.gz MOBUGSMNJWRRRY-RMFSNUHRSA-N 2 1 340.515 3.531 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(O)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472035870 1024426037 /nfs/dbraw/zinc/42/60/37/1024426037.db2.gz BCLXOXVCDAUFGI-SJLPKXTDSA-N 2 1 342.458 3.922 20 0 EHADMP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346145523 1024445977 /nfs/dbraw/zinc/44/59/77/1024445977.db2.gz SNGFJDOXVIFNOB-FQEVSTJZSA-N 2 1 348.450 3.921 20 0 EHADMP CCn1nc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c2ccccc21 ZINC000472050371 1024486444 /nfs/dbraw/zinc/48/64/44/1024486444.db2.gz XXZSIODGLTZFSA-KRWDZBQOSA-N 2 1 328.504 3.658 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)[C@@H]1c1cccs1 ZINC000657886201 1033215713 /nfs/dbraw/zinc/21/57/13/1033215713.db2.gz CYFMNFFVFQLUJC-CZUORRHYSA-N 2 1 328.472 3.808 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)[C@@H]1c1cccs1 ZINC000657886201 1033215717 /nfs/dbraw/zinc/21/57/17/1033215717.db2.gz CYFMNFFVFQLUJC-CZUORRHYSA-N 2 1 328.472 3.808 20 0 EHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000469801209 1024509351 /nfs/dbraw/zinc/50/93/51/1024509351.db2.gz OPBLOFWOOQIVHV-OAQYLSRUSA-N 2 1 345.575 3.996 20 0 EHADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000469801209 1024509356 /nfs/dbraw/zinc/50/93/56/1024509356.db2.gz OPBLOFWOOQIVHV-OAQYLSRUSA-N 2 1 345.575 3.996 20 0 EHADMP C[C@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000414860418 1024526145 /nfs/dbraw/zinc/52/61/45/1024526145.db2.gz VHQCUDJSGGSRDB-QWRGUYRKSA-N 2 1 331.685 3.580 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000346219399 1024561888 /nfs/dbraw/zinc/56/18/88/1024561888.db2.gz MXEXCIDOFXSYQB-HXUWFJFHSA-N 2 1 347.466 3.652 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168030366 1024578203 /nfs/dbraw/zinc/57/82/03/1024578203.db2.gz VJCPRAUHDTWKID-HGKCTWBKSA-N 2 1 327.447 3.752 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030366 1024578211 /nfs/dbraw/zinc/57/82/11/1024578211.db2.gz VJCPRAUHDTWKID-HGKCTWBKSA-N 2 1 327.447 3.752 20 0 EHADMP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435060873 1024589707 /nfs/dbraw/zinc/58/97/07/1024589707.db2.gz VVFUKPGTNSYPPD-UHFFFAOYSA-N 2 1 341.503 3.620 20 0 EHADMP Clc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000536498713 1024633091 /nfs/dbraw/zinc/63/30/91/1024633091.db2.gz UKGHLBRUUJDDPU-IBGZPJMESA-N 2 1 348.918 3.952 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000514693501 1024676401 /nfs/dbraw/zinc/67/64/01/1024676401.db2.gz OQNKFPKGRLMKHV-IRXDYDNUSA-N 2 1 325.500 3.654 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000514693499 1024676966 /nfs/dbraw/zinc/67/69/66/1024676966.db2.gz OQNKFPKGRLMKHV-DLBZAZTESA-N 2 1 325.500 3.654 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cncn2C(C)C)CC1)CC1CC1 ZINC000425331724 1024769909 /nfs/dbraw/zinc/76/99/09/1024769909.db2.gz AWKFITXLHJGGQD-UHFFFAOYSA-N 2 1 332.536 3.798 20 0 EHADMP Fc1ccc(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000469811081 1024782552 /nfs/dbraw/zinc/78/25/52/1024782552.db2.gz UEWIKTJXWAZUSD-MSOLQXFVSA-N 2 1 334.454 3.846 20 0 EHADMP CC[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435392813 1024878438 /nfs/dbraw/zinc/87/84/38/1024878438.db2.gz XXKVCWODDMHWIQ-LJQANCHMSA-N 2 1 327.447 3.852 20 0 EHADMP CC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435392813 1024878451 /nfs/dbraw/zinc/87/84/51/1024878451.db2.gz XXKVCWODDMHWIQ-LJQANCHMSA-N 2 1 327.447 3.852 20 0 EHADMP CC(C)[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000474391906 1024879171 /nfs/dbraw/zinc/87/91/71/1024879171.db2.gz UTURNNNESSXEBN-XSDIEEQYSA-N 2 1 330.516 3.610 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251122 1024904450 /nfs/dbraw/zinc/90/44/50/1024904450.db2.gz HTFZSIZQCMLGAB-RADWXHQJSA-N 2 1 348.494 3.619 20 0 EHADMP CC(C)C[N@H+](Cc1csc(C(F)(F)F)n1)CC1CC[NH+](C)CC1 ZINC000895862671 1024906591 /nfs/dbraw/zinc/90/65/91/1024906591.db2.gz ZZRFOICFLDXJKT-UHFFFAOYSA-N 2 1 349.466 3.962 20 0 EHADMP Cc1nc(C)c(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435421756 1024908664 /nfs/dbraw/zinc/90/86/64/1024908664.db2.gz LCCRHCXXTYTRLM-KRWDZBQOSA-N 2 1 347.553 3.966 20 0 EHADMP Cc1cccnc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426871 1024914114 /nfs/dbraw/zinc/91/41/14/1024914114.db2.gz KJEKMJUEHXCLQD-SFHVURJKSA-N 2 1 327.497 3.596 20 0 EHADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038794 1024942481 /nfs/dbraw/zinc/94/24/81/1024942481.db2.gz ZBYPTLPCAQHXIW-GDBMZVCRSA-N 2 1 342.405 3.548 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCC(F)(F)F)cc1 ZINC000665255164 1024958262 /nfs/dbraw/zinc/95/82/62/1024958262.db2.gz KMNACXKTOQYUJH-COXVUDFISA-N 2 1 344.421 3.851 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000474472880 1025021834 /nfs/dbraw/zinc/02/18/34/1025021834.db2.gz PBHWMQKVQNDAQN-QGZVFWFLSA-N 2 1 346.515 3.597 20 0 EHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000157854414 1025173522 /nfs/dbraw/zinc/17/35/22/1025173522.db2.gz MYJMRROPDYPLKB-SJORKVTESA-N 2 1 331.504 3.950 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000157931526 1025211031 /nfs/dbraw/zinc/21/10/31/1025211031.db2.gz KWIJYZHLLIQOIP-LJQANCHMSA-N 2 1 329.532 3.757 20 0 EHADMP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(Br)c1 ZINC000566230388 1025221311 /nfs/dbraw/zinc/22/13/11/1025221311.db2.gz LQJFJPDNMNQYPO-YOEHRIQHSA-N 2 1 337.305 3.628 20 0 EHADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(Br)c1 ZINC000566230388 1025221321 /nfs/dbraw/zinc/22/13/21/1025221321.db2.gz LQJFJPDNMNQYPO-YOEHRIQHSA-N 2 1 337.305 3.628 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657334485 1025263189 /nfs/dbraw/zinc/26/31/89/1025263189.db2.gz BRPLDPPDEHWPEN-KRWDZBQOSA-N 2 1 343.446 3.833 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657334485 1025263201 /nfs/dbraw/zinc/26/32/01/1025263201.db2.gz BRPLDPPDEHWPEN-KRWDZBQOSA-N 2 1 343.446 3.833 20 0 EHADMP C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000346874744 1025269488 /nfs/dbraw/zinc/26/94/88/1025269488.db2.gz PSWCCVVGEIWHRM-SJORKVTESA-N 2 1 332.488 3.763 20 0 EHADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000521337757 1025332464 /nfs/dbraw/zinc/33/24/64/1025332464.db2.gz FYOPPKDIIUINGO-JOCHJYFZSA-N 2 1 338.495 3.536 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000453326068 1025348874 /nfs/dbraw/zinc/34/88/74/1025348874.db2.gz XSFMNFSJSVMKOS-PMXSJFBMSA-N 2 1 330.516 3.863 20 0 EHADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000453326068 1025348890 /nfs/dbraw/zinc/34/88/90/1025348890.db2.gz XSFMNFSJSVMKOS-PMXSJFBMSA-N 2 1 330.516 3.863 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C3)cs1 ZINC000346993988 1025396341 /nfs/dbraw/zinc/39/63/41/1025396341.db2.gz UWGZMEHEWHZHFB-ZDUSSCGKSA-N 2 1 333.526 3.538 20 0 EHADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C3)cs1 ZINC000346993988 1025396350 /nfs/dbraw/zinc/39/63/50/1025396350.db2.gz UWGZMEHEWHZHFB-ZDUSSCGKSA-N 2 1 333.526 3.538 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442711913 1025435906 /nfs/dbraw/zinc/43/59/06/1025435906.db2.gz FQSJIIAJWWFEKG-KSZLIROESA-N 2 1 339.527 3.983 20 0 EHADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)([NH+](C)C)C1 ZINC000442717355 1025452377 /nfs/dbraw/zinc/45/23/77/1025452377.db2.gz NPTXGYZAFJDLIV-ZOCZFRKYSA-N 2 1 325.500 3.735 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766126 1025477457 /nfs/dbraw/zinc/47/74/57/1025477457.db2.gz WCHLXMNTYWBJMF-QAPCUYQASA-N 2 1 328.431 3.574 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000474804468 1025503876 /nfs/dbraw/zinc/50/38/76/1025503876.db2.gz OYAOPPMQTQNOTD-VUHPKUFZSA-N 2 1 336.545 3.926 20 0 EHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000474804468 1025503879 /nfs/dbraw/zinc/50/38/79/1025503879.db2.gz OYAOPPMQTQNOTD-VUHPKUFZSA-N 2 1 336.545 3.926 20 0 EHADMP CCC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)C1CC[NH2+]CC1 ZINC000347086926 1025508099 /nfs/dbraw/zinc/50/80/99/1025508099.db2.gz DDQRTBVOCWYXFB-UHFFFAOYSA-N 2 1 346.906 3.798 20 0 EHADMP CCC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)C1CC[NH2+]CC1 ZINC000347086926 1025508108 /nfs/dbraw/zinc/50/81/08/1025508108.db2.gz DDQRTBVOCWYXFB-UHFFFAOYSA-N 2 1 346.906 3.798 20 0 EHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436284243 1025531012 /nfs/dbraw/zinc/53/10/12/1025531012.db2.gz XWSZONBZLDENGX-GJZGRUSLSA-N 2 1 332.517 3.596 20 0 EHADMP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436285816 1025532988 /nfs/dbraw/zinc/53/29/88/1025532988.db2.gz RBEJHUFLNQTUSV-FXAWDEMLSA-N 2 1 332.536 3.782 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1(C)C ZINC000442871696 1025546213 /nfs/dbraw/zinc/54/62/13/1025546213.db2.gz IMEATPHASSINHT-IBGZPJMESA-N 2 1 349.950 3.797 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2)C2CCCC2)CC1(C)C ZINC000442875215 1025547483 /nfs/dbraw/zinc/54/74/83/1025547483.db2.gz NGWVKUSBHANFOM-HXUWFJFHSA-N 2 1 329.532 3.534 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436289997 1025553746 /nfs/dbraw/zinc/55/37/46/1025553746.db2.gz YFRZZIYUCFUGFT-OAQYLSRUSA-N 2 1 343.559 3.707 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1(C)C ZINC000442881614 1025562022 /nfs/dbraw/zinc/56/20/22/1025562022.db2.gz ZZMNDBIAZTWCKH-IBGZPJMESA-N 2 1 349.950 3.723 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000582235411 1025621995 /nfs/dbraw/zinc/62/19/95/1025621995.db2.gz GDAPIXYMONXHGE-MSOLQXFVSA-N 2 1 329.419 3.763 20 0 EHADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000414883747 1025685742 /nfs/dbraw/zinc/68/57/42/1025685742.db2.gz NKMBWLZQVBPFOX-FKVLARQCSA-N 2 1 336.479 3.534 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000530355056 1025696969 /nfs/dbraw/zinc/69/69/69/1025696969.db2.gz ZUCPFBGTTRRNSO-SFHVURJKSA-N 2 1 325.456 3.779 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000530354994 1025698268 /nfs/dbraw/zinc/69/82/68/1025698268.db2.gz QNSGKKAJZRTMDF-IBGZPJMESA-N 2 1 340.858 3.585 20 0 EHADMP COc1ccc2c(c1)CCC[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)C2 ZINC000515915247 1025752433 /nfs/dbraw/zinc/75/24/33/1025752433.db2.gz XSTMQUDWPPMZEY-UHFFFAOYSA-N 2 1 348.450 3.533 20 0 EHADMP OCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000451303537 1025807393 /nfs/dbraw/zinc/80/73/93/1025807393.db2.gz GSDYWDIVZQRTAI-KRWDZBQOSA-N 2 1 344.421 3.595 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CCOC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044104 1025816253 /nfs/dbraw/zinc/81/62/53/1025816253.db2.gz FHXDLOPUEFQTSV-YHELAOLJSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044104 1025816271 /nfs/dbraw/zinc/81/62/71/1025816271.db2.gz FHXDLOPUEFQTSV-YHELAOLJSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044104 1025816289 /nfs/dbraw/zinc/81/62/89/1025816289.db2.gz FHXDLOPUEFQTSV-YHELAOLJSA-N 2 1 328.500 3.540 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000582328436 1025857445 /nfs/dbraw/zinc/85/74/45/1025857445.db2.gz YHNYBJAUWBWMAC-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000582328436 1025857463 /nfs/dbraw/zinc/85/74/63/1025857463.db2.gz YHNYBJAUWBWMAC-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000582328436 1025857482 /nfs/dbraw/zinc/85/74/82/1025857482.db2.gz YHNYBJAUWBWMAC-OALUTQOASA-N 2 1 346.515 3.790 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474043417 1025885025 /nfs/dbraw/zinc/88/50/25/1025885025.db2.gz GGVBKRGLAPRKJY-HNNXBMFYSA-N 2 1 332.479 3.679 20 0 EHADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000522030284 1025895432 /nfs/dbraw/zinc/89/54/32/1025895432.db2.gz GTBMCFFHDCRZAZ-SFHVURJKSA-N 2 1 349.538 3.543 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040115 1025908843 /nfs/dbraw/zinc/90/88/43/1025908843.db2.gz ZEKHWYYODXNVRU-KNQAVFIVSA-N 2 1 338.495 3.910 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000474948161 1025930620 /nfs/dbraw/zinc/93/06/20/1025930620.db2.gz ZLFWTSVXOXPBMT-CEMLEFRQSA-N 2 1 335.495 3.780 20 0 EHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1)CC(C)C ZINC000428304797 1025931436 /nfs/dbraw/zinc/93/14/36/1025931436.db2.gz ZDEIEPOFMWOICK-GOSISDBHSA-N 2 1 332.536 3.926 20 0 EHADMP [NH3+][C@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000414889181 1026037878 /nfs/dbraw/zinc/03/78/78/1026037878.db2.gz KZKXSFBJOBIBFU-GFCCVEGCSA-N 2 1 326.284 3.551 20 0 EHADMP CCOC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000326835867 1026083526 /nfs/dbraw/zinc/08/35/26/1026083526.db2.gz BNCCCMDDWYCXCG-UHFFFAOYSA-N 2 1 330.516 3.632 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055965 1026114391 /nfs/dbraw/zinc/11/43/91/1026114391.db2.gz ZGHXZGISNXQGES-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccncc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055965 1026114396 /nfs/dbraw/zinc/11/43/96/1026114396.db2.gz ZGHXZGISNXQGES-HATOLVCRSA-N 2 1 337.511 3.998 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000582456163 1026317172 /nfs/dbraw/zinc/31/71/72/1026317172.db2.gz DXSZNNCJXIBSJZ-TYPHKJRUSA-N 2 1 330.516 3.693 20 0 EHADMP C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000277642172 1026419464 /nfs/dbraw/zinc/41/94/64/1026419464.db2.gz HRAYHQLLBCXBDJ-UHFFFAOYSA-N 2 1 344.524 3.694 20 0 EHADMP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000277642172 1026419468 /nfs/dbraw/zinc/41/94/68/1026419468.db2.gz HRAYHQLLBCXBDJ-UHFFFAOYSA-N 2 1 344.524 3.694 20 0 EHADMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000277642172 1026419472 /nfs/dbraw/zinc/41/94/72/1026419472.db2.gz HRAYHQLLBCXBDJ-UHFFFAOYSA-N 2 1 344.524 3.694 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000342603996 1026439727 /nfs/dbraw/zinc/43/97/27/1026439727.db2.gz DMJDMNRDFDUTIC-UHFFFAOYSA-N 2 1 334.261 3.623 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122732219 1026710733 /nfs/dbraw/zinc/71/07/33/1026710733.db2.gz IMVCMZKSGYJRIW-QGZVFWFLSA-N 3 1 340.515 3.953 20 0 EHADMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000193049573 1026719331 /nfs/dbraw/zinc/71/93/31/1026719331.db2.gz ATOLXFRBLVOGOF-XUBOLADHSA-N 2 1 328.500 3.729 20 0 EHADMP Cc1nc(NCC2CC[NH+](Cc3cccs3)CC2)c(C)c(C)[nH+]1 ZINC000301703875 1026909070 /nfs/dbraw/zinc/90/90/70/1026909070.db2.gz USBVUOGZYRADFY-UHFFFAOYSA-N 2 1 330.501 3.787 20 0 EHADMP CC[NH+]1CCN(C[C@H](C)CNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000302691698 1027240980 /nfs/dbraw/zinc/24/09/80/1027240980.db2.gz VLGURBRYWATNHT-MRXNPFEDSA-N 2 1 340.515 3.537 20 0 EHADMP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000453061113 1027310757 /nfs/dbraw/zinc/31/07/57/1027310757.db2.gz CVPGTIBZNAXDNP-LJQANCHMSA-N 2 1 337.511 3.831 20 0 EHADMP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000453061113 1027310777 /nfs/dbraw/zinc/31/07/77/1027310777.db2.gz CVPGTIBZNAXDNP-LJQANCHMSA-N 2 1 337.511 3.831 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453102508 1027363996 /nfs/dbraw/zinc/36/39/96/1027363996.db2.gz PSDIGHXTRUBSHV-HXUWFJFHSA-N 2 1 349.950 3.798 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C3CC3)C3CCCC3)CCCC2)CC1 ZINC000453103033 1027366223 /nfs/dbraw/zinc/36/62/23/1027366223.db2.gz AFTOYRABKYLWFK-HXUWFJFHSA-N 2 1 334.548 3.968 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453128731 1027430758 /nfs/dbraw/zinc/43/07/58/1027430758.db2.gz QOOZTCSONXTMDH-INIZCTEOSA-N 2 1 337.471 3.723 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453138514 1027444565 /nfs/dbraw/zinc/44/45/65/1027444565.db2.gz AGVZICVCVOXKHA-PWRODBHTSA-N 2 1 344.543 3.818 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000420304193 1027453606 /nfs/dbraw/zinc/45/36/06/1027453606.db2.gz LFEXQVWHTFMCGD-PXNSSMCTSA-N 2 1 328.431 3.714 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]21 ZINC000420313926 1027460421 /nfs/dbraw/zinc/46/04/21/1027460421.db2.gz UUFZCFDQZAGTNX-YWPYICTPSA-N 2 1 349.450 3.648 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]21 ZINC000420313926 1027460432 /nfs/dbraw/zinc/46/04/32/1027460432.db2.gz UUFZCFDQZAGTNX-YWPYICTPSA-N 2 1 349.450 3.648 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@H]12 ZINC000420314159 1027460809 /nfs/dbraw/zinc/46/08/09/1027460809.db2.gz VGAQMNPTHUHNMU-OSAQELSMSA-N 2 1 333.888 3.633 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C[C@H]12 ZINC000420314159 1027460818 /nfs/dbraw/zinc/46/08/18/1027460818.db2.gz VGAQMNPTHUHNMU-OSAQELSMSA-N 2 1 333.888 3.633 20 0 EHADMP c1cc(C[N@H+](CC[C@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420320733 1027467451 /nfs/dbraw/zinc/46/74/51/1027467451.db2.gz YYPSITKKSWDUEF-QZTJIDSGSA-N 2 1 334.529 3.651 20 0 EHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326689 1027479374 /nfs/dbraw/zinc/47/93/74/1027479374.db2.gz KHXFIBKOCBDUFM-NXHRZFHOSA-N 2 1 325.456 3.724 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420333607 1027481413 /nfs/dbraw/zinc/48/14/13/1027481413.db2.gz FJTKMFKXXPQHJX-OALUTQOASA-N 2 1 328.500 3.636 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332653 1027482551 /nfs/dbraw/zinc/48/25/51/1027482551.db2.gz SCMOLQBHZRNBAP-FVQBIDKESA-N 2 1 337.305 3.832 20 0 EHADMP Brc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)s1 ZINC000420363175 1027490617 /nfs/dbraw/zinc/49/06/17/1027490617.db2.gz BIJJTTTUQCKLHB-NEPJUHHUSA-N 2 1 329.307 3.647 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000453180264 1027497828 /nfs/dbraw/zinc/49/78/28/1027497828.db2.gz VDEYUENKCMCWID-JYBIWHBTSA-N 2 1 338.499 3.779 20 0 EHADMP Nc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000420382877 1027505011 /nfs/dbraw/zinc/50/50/11/1027505011.db2.gz YWMWUZMHRIONBB-UNMCSNQZSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000420382877 1027505023 /nfs/dbraw/zinc/50/50/23/1027505023.db2.gz YWMWUZMHRIONBB-UNMCSNQZSA-N 2 1 335.495 3.755 20 0 EHADMP Nc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000420382877 1027505036 /nfs/dbraw/zinc/50/50/36/1027505036.db2.gz YWMWUZMHRIONBB-UNMCSNQZSA-N 2 1 335.495 3.755 20 0 EHADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000420409215 1027528290 /nfs/dbraw/zinc/52/82/90/1027528290.db2.gz WSPGSZBDEACXAQ-RDTXWAMCSA-N 2 1 329.875 3.852 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000342860471 1027695153 /nfs/dbraw/zinc/69/51/53/1027695153.db2.gz OQPLPBKHBSSKCT-LJQANCHMSA-N 2 1 327.472 3.545 20 0 EHADMP COc1ccc(C[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000342860471 1027695159 /nfs/dbraw/zinc/69/51/59/1027695159.db2.gz OQPLPBKHBSSKCT-LJQANCHMSA-N 2 1 327.472 3.545 20 0 EHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000909600572 1027706461 /nfs/dbraw/zinc/70/64/61/1027706461.db2.gz IPULALGMFKVKMH-UHFFFAOYSA-N 2 1 331.504 3.650 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000414657767 1027735555 /nfs/dbraw/zinc/73/55/55/1027735555.db2.gz PGECDWRXWMRDTJ-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000414657767 1027735560 /nfs/dbraw/zinc/73/55/60/1027735560.db2.gz PGECDWRXWMRDTJ-SFHVURJKSA-N 2 1 334.504 3.696 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414662120 1027742415 /nfs/dbraw/zinc/74/24/15/1027742415.db2.gz YOOYEIUMTVULGX-LJQANCHMSA-N 2 1 342.458 3.836 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414662120 1027742464 /nfs/dbraw/zinc/74/24/64/1027742464.db2.gz YOOYEIUMTVULGX-LJQANCHMSA-N 2 1 342.458 3.836 20 0 EHADMP c1ccc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420900620 1027841784 /nfs/dbraw/zinc/84/17/84/1027841784.db2.gz IRFYUJLSDDBJJZ-QFIPXVFZSA-N 2 1 336.479 3.508 20 0 EHADMP c1ccc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420900620 1027841801 /nfs/dbraw/zinc/84/18/01/1027841801.db2.gz IRFYUJLSDDBJJZ-QFIPXVFZSA-N 2 1 336.479 3.508 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422732181 1027877788 /nfs/dbraw/zinc/87/77/88/1027877788.db2.gz NIBWCIAFXNGBFH-HRAATJIYSA-N 2 1 340.515 3.582 20 0 EHADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1Cl ZINC000422765137 1027945188 /nfs/dbraw/zinc/94/51/88/1027945188.db2.gz QGLXULRKAJMOLF-IPMKNSEASA-N 2 1 329.875 3.677 20 0 EHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ccccc21 ZINC000422804714 1027954421 /nfs/dbraw/zinc/95/44/21/1027954421.db2.gz KYXUQCQFMQKFGF-DLBZAZTESA-N 2 1 336.357 3.862 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)c2ccccc21 ZINC000422794170 1027966911 /nfs/dbraw/zinc/96/69/11/1027966911.db2.gz YRYITMFIRTYYHG-CABCVRRESA-N 2 1 337.254 3.535 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422867666 1028004769 /nfs/dbraw/zinc/00/47/69/1028004769.db2.gz STHXRTOMMJXMRE-QHAWAJNXSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422867666 1028004786 /nfs/dbraw/zinc/00/47/86/1028004786.db2.gz STHXRTOMMJXMRE-QHAWAJNXSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422867666 1028004803 /nfs/dbraw/zinc/00/48/03/1028004803.db2.gz STHXRTOMMJXMRE-QHAWAJNXSA-N 2 1 329.532 3.537 20 0 EHADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422914667 1028050564 /nfs/dbraw/zinc/05/05/64/1028050564.db2.gz VJHOSXHFFFLUHF-HIFRSBDPSA-N 2 1 337.471 3.630 20 0 EHADMP CCOCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC1 ZINC000422937033 1028064415 /nfs/dbraw/zinc/06/44/15/1028064415.db2.gz JBGPFCRPMWVYTG-PMACEKPBSA-N 2 1 346.515 3.675 20 0 EHADMP CCCCOc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000414709913 1028109082 /nfs/dbraw/zinc/10/90/82/1028109082.db2.gz FLDQBYJFYRDECC-GOSISDBHSA-N 2 1 334.504 3.838 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1F ZINC000423015627 1028128174 /nfs/dbraw/zinc/12/81/74/1028128174.db2.gz AHNHSFHONXLWQC-ZLXGRDSLSA-N 2 1 344.405 3.871 20 0 EHADMP Clc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000423025014 1028137058 /nfs/dbraw/zinc/13/70/58/1028137058.db2.gz NEGBLYFNUDTYGE-NHJHPMQKSA-N 2 1 341.886 3.891 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])CC3 ZINC000423040132 1028145986 /nfs/dbraw/zinc/14/59/86/1028145986.db2.gz GOVXOMAWQPQGMA-UQNRQAKVSA-N 2 1 347.506 3.882 20 0 EHADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000423046004 1028152182 /nfs/dbraw/zinc/15/21/82/1028152182.db2.gz DSLLLLWNSJBDIO-SQWLQELKSA-N 2 1 329.513 3.631 20 0 EHADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423078282 1028166421 /nfs/dbraw/zinc/16/64/21/1028166421.db2.gz OBDOOEZFOIVZOJ-CLAROIROSA-N 2 1 336.479 3.847 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000423085535 1028171739 /nfs/dbraw/zinc/17/17/39/1028171739.db2.gz KTDSJWKYKWQWMK-GMAHTHKFSA-N 2 1 349.522 3.986 20 0 EHADMP C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000246314335 1028205315 /nfs/dbraw/zinc/20/53/15/1028205315.db2.gz DXPBLVHPFHJIGG-UIBIWLFHSA-N 2 1 329.513 3.950 20 0 EHADMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000423134511 1028220274 /nfs/dbraw/zinc/22/02/74/1028220274.db2.gz MHRFYVPGBRDVOR-ZNZDAUKMSA-N 2 1 336.414 3.807 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423183671 1028231043 /nfs/dbraw/zinc/23/10/43/1028231043.db2.gz LOPUIEGTOIKFCJ-CQSZACIVSA-N 2 1 331.685 3.895 20 0 EHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(-c2ccncc2)c1 ZINC000423189322 1028258940 /nfs/dbraw/zinc/25/89/40/1028258940.db2.gz PEDHCBSJECMCGL-GOSISDBHSA-N 2 1 346.478 3.974 20 0 EHADMP COc1cccc2cc([C@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc21 ZINC000423191820 1028260248 /nfs/dbraw/zinc/26/02/48/1028260248.db2.gz UDVKYKQIKTXVGW-HNNXBMFYSA-N 2 1 339.439 3.667 20 0 EHADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC(C)(C)[NH3+])CCC3)cc1 ZINC000423283908 1028321788 /nfs/dbraw/zinc/32/17/88/1028321788.db2.gz FVTNSEZIKRYUSZ-AWEZNQCLSA-N 2 1 331.485 3.523 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423282106 1028323995 /nfs/dbraw/zinc/32/39/95/1028323995.db2.gz UWQQMMYADKQKOP-HAMDTZRPSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272592 1028335314 /nfs/dbraw/zinc/33/53/14/1028335314.db2.gz JWFRVDMFXGTHKD-LSDHHAIUSA-N 2 1 333.476 3.900 20 0 EHADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423317163 1028347290 /nfs/dbraw/zinc/34/72/90/1028347290.db2.gz CLKYXUGXHGEYHM-IINYFYTJSA-N 2 1 341.318 3.703 20 0 EHADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423318141 1028349236 /nfs/dbraw/zinc/34/92/36/1028349236.db2.gz CEAJIGGYASXKIZ-NHYWBVRUSA-N 2 1 329.257 3.629 20 0 EHADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423343080 1028359511 /nfs/dbraw/zinc/35/95/11/1028359511.db2.gz NLXSWUWNHAJCLB-XHDPSFHLSA-N 2 1 329.257 3.629 20 0 EHADMP COc1ccc([C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423336115 1028371448 /nfs/dbraw/zinc/37/14/48/1028371448.db2.gz JHHNFGRMANLMSL-NHCUHLMSSA-N 2 1 342.458 3.903 20 0 EHADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423362020 1028388280 /nfs/dbraw/zinc/38/82/80/1028388280.db2.gz AQYPBSXNXLLMFH-QPUJVOFHSA-N 2 1 339.199 3.856 20 0 EHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423387405 1028402925 /nfs/dbraw/zinc/40/29/25/1028402925.db2.gz SCWCOVIGKDNQBW-ZQIUZPCESA-N 2 1 329.513 3.833 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000729681374 1028436753 /nfs/dbraw/zinc/43/67/53/1028436753.db2.gz XIVZMGVAOHDHTC-KRWDZBQOSA-N 2 1 326.488 3.608 20 0 EHADMP Clc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423501758 1028466857 /nfs/dbraw/zinc/46/68/57/1028466857.db2.gz DPHUURQPVUMCHH-UXHICEINSA-N 2 1 344.886 3.592 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cnn1C(C)C ZINC000423534064 1028487178 /nfs/dbraw/zinc/48/71/78/1028487178.db2.gz ZKJNRDFTVZQEHN-OAMWCXBBSA-N 2 1 330.520 3.577 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423533951 1028487994 /nfs/dbraw/zinc/48/79/94/1028487994.db2.gz UVNITFPSPFFHGH-WBMJQRKESA-N 2 1 330.501 3.682 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cc(C)nc(C)c2)cc1 ZINC000421580905 1028574602 /nfs/dbraw/zinc/57/46/02/1028574602.db2.gz XDOUYPVKMVZOAW-UHFFFAOYSA-N 2 1 339.483 3.860 20 0 EHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247183002 1028755753 /nfs/dbraw/zinc/75/57/53/1028755753.db2.gz ZICAKGABUHSWNN-FVJLSDCUSA-N 2 1 346.515 3.552 20 0 EHADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122901361 1028766925 /nfs/dbraw/zinc/76/69/25/1028766925.db2.gz JISAVPHPNGOOFZ-SFHVURJKSA-N 2 1 338.495 3.620 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000421823243 1028809626 /nfs/dbraw/zinc/80/96/26/1028809626.db2.gz CMIYEGRHHMFNBA-IAGOWNOFSA-N 2 1 336.545 3.897 20 0 EHADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000421823243 1028809640 /nfs/dbraw/zinc/80/96/40/1028809640.db2.gz CMIYEGRHHMFNBA-IAGOWNOFSA-N 2 1 336.545 3.897 20 0 EHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000513760482 1028838289 /nfs/dbraw/zinc/83/82/89/1028838289.db2.gz JNTFUWRAVVGDAD-DOIPELPJSA-N 2 1 329.532 3.532 20 0 EHADMP CC[C@@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934710 1028852615 /nfs/dbraw/zinc/85/26/15/1028852615.db2.gz NHWKYKIJTDEGBQ-KDOFPFPSSA-N 2 1 344.890 3.665 20 0 EHADMP CC[C@@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934710 1028852629 /nfs/dbraw/zinc/85/26/29/1028852629.db2.gz NHWKYKIJTDEGBQ-KDOFPFPSSA-N 2 1 344.890 3.665 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C)cc1 ZINC000248444548 1028904016 /nfs/dbraw/zinc/90/40/16/1028904016.db2.gz MATIZXAERIEDPM-FGZHOGPDSA-N 2 1 338.495 3.803 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000248458413 1028913070 /nfs/dbraw/zinc/91/30/70/1028913070.db2.gz UQPSQHKFVVKNMW-KXBFYZLASA-N 2 1 330.497 3.556 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(Cc3ccccc3)n1)CC[NH2+]CC2 ZINC000424297522 1028938520 /nfs/dbraw/zinc/93/85/20/1028938520.db2.gz SVCKIZXXHRCDMR-INIZCTEOSA-N 2 1 341.524 3.698 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(Cc3ccccc3)n1)CC[NH2+]CC2 ZINC000424297524 1028939479 /nfs/dbraw/zinc/93/94/79/1028939479.db2.gz SVCKIZXXHRCDMR-MRXNPFEDSA-N 2 1 341.524 3.698 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CCS2 ZINC000248792040 1028950976 /nfs/dbraw/zinc/95/09/76/1028950976.db2.gz DNFFISLCLVJNMI-QAPCUYQASA-N 2 1 334.529 3.942 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245637061 1028953449 /nfs/dbraw/zinc/95/34/49/1028953449.db2.gz AAEBSVMFULMGRK-XLNTUCKNSA-N 2 1 338.499 3.575 20 0 EHADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245637061 1028953465 /nfs/dbraw/zinc/95/34/65/1028953465.db2.gz AAEBSVMFULMGRK-XLNTUCKNSA-N 2 1 338.499 3.575 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCCCO2)C3)cc1 ZINC000248874545 1028961159 /nfs/dbraw/zinc/96/11/59/1028961159.db2.gz IXPMLTWLOLHOMV-MXEMCNAFSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)CCO1 ZINC000249015384 1028975922 /nfs/dbraw/zinc/97/59/22/1028975922.db2.gz JDNRQCXSXKOVFF-JXFKEZNVSA-N 2 1 340.467 3.668 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)CCO1 ZINC000249015384 1028975943 /nfs/dbraw/zinc/97/59/43/1028975943.db2.gz JDNRQCXSXKOVFF-JXFKEZNVSA-N 2 1 340.467 3.668 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCSCC1 ZINC000249979686 1029035156 /nfs/dbraw/zinc/03/51/56/1029035156.db2.gz LGNZPBYRZVCGSZ-IAGOWNOFSA-N 2 1 348.556 3.529 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCSCC1 ZINC000249979686 1029035169 /nfs/dbraw/zinc/03/51/69/1029035169.db2.gz LGNZPBYRZVCGSZ-IAGOWNOFSA-N 2 1 348.556 3.529 20 0 EHADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414787826 1029065045 /nfs/dbraw/zinc/06/50/45/1029065045.db2.gz LQBUYJYLPZJPJS-UHFFFAOYSA-N 2 1 340.467 3.506 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC[C@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502193 1029110947 /nfs/dbraw/zinc/11/09/47/1029110947.db2.gz BIAOWOOLGLMTDP-PWRODBHTSA-N 2 1 340.511 3.731 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC[C@H](C4CC4)O3)CC23CC3)cc1 ZINC000897502193 1029110953 /nfs/dbraw/zinc/11/09/53/1029110953.db2.gz BIAOWOOLGLMTDP-PWRODBHTSA-N 2 1 340.511 3.731 20 0 EHADMP CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000583174407 1029120478 /nfs/dbraw/zinc/12/04/78/1029120478.db2.gz BDWLMTPKTXXTPM-UHFFFAOYSA-N 2 1 344.330 3.833 20 0 EHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000583198032 1029202366 /nfs/dbraw/zinc/20/23/66/1029202366.db2.gz DBZSTDBBEONLHR-OALUTQOASA-N 2 1 329.488 3.565 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000414808517 1029275733 /nfs/dbraw/zinc/27/57/33/1029275733.db2.gz KVNFTSSFOYPNPS-VQROGVPDSA-N 3 1 349.522 3.707 20 0 EHADMP COc1ccsc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272139505 1029328566 /nfs/dbraw/zinc/32/85/66/1029328566.db2.gz AZOLMPYKHIAEFE-WBVHZDCISA-N 2 1 330.497 3.757 20 0 EHADMP COc1ccsc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272139505 1029328581 /nfs/dbraw/zinc/32/85/81/1029328581.db2.gz AZOLMPYKHIAEFE-WBVHZDCISA-N 2 1 330.497 3.757 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000052209853 1029376156 /nfs/dbraw/zinc/37/61/56/1029376156.db2.gz MYBDRZLWKCDXKO-IBGZPJMESA-N 2 1 338.923 3.817 20 0 EHADMP C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000414823345 1029436765 /nfs/dbraw/zinc/43/67/65/1029436765.db2.gz OFFXDOKFBSWWKO-DTWKUNHWSA-N 2 1 337.714 3.642 20 0 EHADMP C[C@H]1C[C@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CCO1 ZINC001168087202 1029461765 /nfs/dbraw/zinc/46/17/65/1029461765.db2.gz KECZDZJMTRYDMR-XNUXLAJESA-N 2 1 328.500 3.682 20 0 EHADMP CN(c1ccccc1C[N@@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000505319277 1029466166 /nfs/dbraw/zinc/46/61/66/1029466166.db2.gz GDPNSWICWJKFNE-UHFFFAOYSA-N 2 1 329.532 3.982 20 0 EHADMP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)sc1Br ZINC000343151197 1029488877 /nfs/dbraw/zinc/48/88/77/1029488877.db2.gz ADVBAJFIVJAXNL-JTQLQIEISA-N 2 1 342.306 3.750 20 0 EHADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479739 1029476903 /nfs/dbraw/zinc/47/69/03/1029476903.db2.gz MCKGEHPOJZNKSI-CZTZKLFOSA-N 2 1 338.495 3.529 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000162158675 1029484067 /nfs/dbraw/zinc/48/40/67/1029484067.db2.gz JAHGGYCSZHCWPR-IBGZPJMESA-N 2 1 330.516 3.895 20 0 EHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261751136 1029497163 /nfs/dbraw/zinc/49/71/63/1029497163.db2.gz QCQVZLFVMDBWTK-IERDGZPVSA-N 2 1 337.467 3.671 20 0 EHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC(C)(C)C[NH3+] ZINC000261774022 1029503876 /nfs/dbraw/zinc/50/38/76/1029503876.db2.gz DXZIAGVLIRGXRM-UHFFFAOYSA-N 2 1 340.393 3.512 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261923034 1029529696 /nfs/dbraw/zinc/52/96/96/1029529696.db2.gz KSXRXABQGRXXQE-FQEVSTJZSA-N 2 1 330.422 3.767 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159914 1029533987 /nfs/dbraw/zinc/53/39/87/1029533987.db2.gz DORBKGKDQAEBJE-SJKOYZFVSA-N 2 1 335.289 3.510 20 0 EHADMP Cc1nc(COc2ccc(C[NH2+]CC3([NH3+])CCCCC3)cc2)cs1 ZINC000414843345 1029554990 /nfs/dbraw/zinc/55/49/90/1029554990.db2.gz NUCWOLXZZMVNIT-UHFFFAOYSA-N 2 1 345.512 3.782 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669951 1029558854 /nfs/dbraw/zinc/55/88/54/1029558854.db2.gz PDQGERRGBDWZPW-BVSLBCMMSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669951 1029558860 /nfs/dbraw/zinc/55/88/60/1029558860.db2.gz PDQGERRGBDWZPW-BVSLBCMMSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669951 1029558863 /nfs/dbraw/zinc/55/88/63/1029558863.db2.gz PDQGERRGBDWZPW-BVSLBCMMSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669951 1029558867 /nfs/dbraw/zinc/55/88/67/1029558867.db2.gz PDQGERRGBDWZPW-BVSLBCMMSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669951 1029558869 /nfs/dbraw/zinc/55/88/69/1029558869.db2.gz PDQGERRGBDWZPW-BVSLBCMMSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669951 1029558871 /nfs/dbraw/zinc/55/88/71/1029558871.db2.gz PDQGERRGBDWZPW-BVSLBCMMSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669951 1029558872 /nfs/dbraw/zinc/55/88/72/1029558872.db2.gz PDQGERRGBDWZPW-BVSLBCMMSA-N 3 1 343.559 3.607 20 0 EHADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000262128752 1029562002 /nfs/dbraw/zinc/56/20/02/1029562002.db2.gz XXVVNVBKFCGNQZ-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000262128752 1029562012 /nfs/dbraw/zinc/56/20/12/1029562012.db2.gz XXVVNVBKFCGNQZ-NRFANRHFSA-N 2 1 340.442 3.590 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCCC[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000729814926 1029567186 /nfs/dbraw/zinc/56/71/86/1029567186.db2.gz KPHIHSRDNMFIDN-WTGUMLROSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCCC[NH+]1C[C@@H](C)OC[C@@H]1CC ZINC000729814926 1029567202 /nfs/dbraw/zinc/56/72/02/1029567202.db2.gz KPHIHSRDNMFIDN-WTGUMLROSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCCCC[NH+]1C[C@@H](C)OC[C@@H]1CC ZINC000729814926 1029567209 /nfs/dbraw/zinc/56/72/09/1029567209.db2.gz KPHIHSRDNMFIDN-WTGUMLROSA-N 2 1 340.552 3.545 20 0 EHADMP CC[NH+](CC)C[C@H](C)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463117100 1029639979 /nfs/dbraw/zinc/63/99/79/1029639979.db2.gz SWIWWTZSHRNJRC-INIZCTEOSA-N 2 1 337.939 3.624 20 0 EHADMP C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000524971487 1029640906 /nfs/dbraw/zinc/64/09/06/1029640906.db2.gz OGHGBZJJVGMBMR-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP C[NH+](CCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000524971487 1029640910 /nfs/dbraw/zinc/64/09/10/1029640910.db2.gz OGHGBZJJVGMBMR-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP C[NH+](CCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000524971487 1029640912 /nfs/dbraw/zinc/64/09/12/1029640912.db2.gz OGHGBZJJVGMBMR-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548793255 1029755353 /nfs/dbraw/zinc/75/53/53/1029755353.db2.gz WNMDVCOBMUVWJY-HLAWJBBLSA-N 2 1 342.527 3.836 20 0 EHADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000508708536 1029771662 /nfs/dbraw/zinc/77/16/62/1029771662.db2.gz CBEWWHLCQGJBGJ-URVUXULASA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708536 1029771672 /nfs/dbraw/zinc/77/16/72/1029771672.db2.gz CBEWWHLCQGJBGJ-URVUXULASA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708536 1029771682 /nfs/dbraw/zinc/77/16/82/1029771682.db2.gz CBEWWHLCQGJBGJ-URVUXULASA-N 2 1 343.559 3.607 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000080338920 1029816401 /nfs/dbraw/zinc/81/64/01/1029816401.db2.gz BKZHZKRLUWIUAV-OXQOHEQNSA-N 2 1 340.515 3.663 20 0 EHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000080338920 1029816404 /nfs/dbraw/zinc/81/64/04/1029816404.db2.gz BKZHZKRLUWIUAV-OXQOHEQNSA-N 2 1 340.515 3.663 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CCN(C)Cc2ccccc2)CC1 ZINC000429714932 1029948364 /nfs/dbraw/zinc/94/83/64/1029948364.db2.gz HOUVNSRQSNJERA-UHFFFAOYSA-N 2 1 331.548 3.562 20 0 EHADMP CCCC[N@H+](C)CC1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000429714932 1029948379 /nfs/dbraw/zinc/94/83/79/1029948379.db2.gz HOUVNSRQSNJERA-UHFFFAOYSA-N 2 1 331.548 3.562 20 0 EHADMP CCCC[N@@H+](C)CC1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000429714932 1029948387 /nfs/dbraw/zinc/94/83/87/1029948387.db2.gz HOUVNSRQSNJERA-UHFFFAOYSA-N 2 1 331.548 3.562 20 0 EHADMP CCCC[NH+](C)CC1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000429714932 1029948395 /nfs/dbraw/zinc/94/83/95/1029948395.db2.gz HOUVNSRQSNJERA-UHFFFAOYSA-N 2 1 331.548 3.562 20 0 EHADMP CCCC[NH+](C)CC1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000429714932 1029948400 /nfs/dbraw/zinc/94/84/00/1029948400.db2.gz HOUVNSRQSNJERA-UHFFFAOYSA-N 2 1 331.548 3.562 20 0 EHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705825 1029970202 /nfs/dbraw/zinc/97/02/02/1029970202.db2.gz XJUCEXIXICKWNJ-DFQSSKMNSA-N 2 1 330.516 3.702 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000157679705 1029983330 /nfs/dbraw/zinc/98/33/30/1029983330.db2.gz SLOAYIWMNUCBDW-OKKATSDQSA-N 2 1 337.305 3.767 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000157679705 1029983344 /nfs/dbraw/zinc/98/33/44/1029983344.db2.gz SLOAYIWMNUCBDW-OKKATSDQSA-N 2 1 337.305 3.767 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1Br ZINC000583527240 1030037692 /nfs/dbraw/zinc/03/76/92/1030037692.db2.gz SKHUMHHKYFZKGT-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000583527240 1030037707 /nfs/dbraw/zinc/03/77/07/1030037707.db2.gz SKHUMHHKYFZKGT-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000583527240 1030037714 /nfs/dbraw/zinc/03/77/14/1030037714.db2.gz SKHUMHHKYFZKGT-BBRMVZONSA-N 2 1 325.294 3.530 20 0 EHADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000556050920 1030109930 /nfs/dbraw/zinc/10/99/30/1030109930.db2.gz QMQYBLWQBRGOKH-HBMCJLEFSA-N 2 1 329.532 3.532 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000650722400 1030193478 /nfs/dbraw/zinc/19/34/78/1030193478.db2.gz RVNCNZMRKSWXLX-IKGGRYGDSA-N 2 1 343.298 3.854 20 0 EHADMP CC(C)c1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650723284 1030194774 /nfs/dbraw/zinc/19/47/74/1030194774.db2.gz KRPICTKUDAOTNO-NJYVYQBISA-N 2 1 330.516 3.713 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000453407090 1030217915 /nfs/dbraw/zinc/21/79/15/1030217915.db2.gz DERDNCUFECPILE-CYBMUJFWSA-N 2 1 325.294 3.974 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC3CC(F)(F)C3)CC2)cc1 ZINC000453412674 1030224456 /nfs/dbraw/zinc/22/44/56/1030224456.db2.gz IXQJXOQEMUXVMF-UHFFFAOYSA-N 2 1 340.433 3.858 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636180 1030256374 /nfs/dbraw/zinc/25/63/74/1030256374.db2.gz QCSLPJGBHUPBCZ-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636180 1030256388 /nfs/dbraw/zinc/25/63/88/1030256388.db2.gz QCSLPJGBHUPBCZ-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636180 1030256400 /nfs/dbraw/zinc/25/64/00/1030256400.db2.gz QCSLPJGBHUPBCZ-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000537636180 1030256416 /nfs/dbraw/zinc/25/64/16/1030256416.db2.gz QCSLPJGBHUPBCZ-WBMJQRKESA-N 2 1 343.284 3.750 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453430722 1030286230 /nfs/dbraw/zinc/28/62/30/1030286230.db2.gz RFVQLYNPOMBHFN-DFQSSKMNSA-N 2 1 330.516 3.692 20 0 EHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447579362 1030343750 /nfs/dbraw/zinc/34/37/50/1030343750.db2.gz KHTNWKHUAZBWAY-MMIASXOFSA-N 2 1 342.527 3.831 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453594000 1030382999 /nfs/dbraw/zinc/38/29/99/1030382999.db2.gz UIPGEKJLBWDKQN-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453594000 1030383017 /nfs/dbraw/zinc/38/30/17/1030383017.db2.gz UIPGEKJLBWDKQN-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000092139705 1030389269 /nfs/dbraw/zinc/38/92/69/1030389269.db2.gz YBFRATSNZANDHJ-KSZLIROESA-N 2 1 343.515 3.525 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000092587955 1030487575 /nfs/dbraw/zinc/48/75/75/1030487575.db2.gz RVQHLXJKDARAMH-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000092587955 1030487582 /nfs/dbraw/zinc/48/75/82/1030487582.db2.gz RVQHLXJKDARAMH-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000092587955 1030487590 /nfs/dbraw/zinc/48/75/90/1030487590.db2.gz RVQHLXJKDARAMH-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000092587955 1030487597 /nfs/dbraw/zinc/48/75/97/1030487597.db2.gz RVQHLXJKDARAMH-YLJYHZDGSA-N 2 1 343.515 3.731 20 0 EHADMP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000532239382 1030504058 /nfs/dbraw/zinc/50/40/58/1030504058.db2.gz ITQXHWFDHMQAHN-PZJWPPBQSA-N 2 1 348.506 3.626 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000482556637 1030531129 /nfs/dbraw/zinc/53/11/29/1030531129.db2.gz PLLDQHZFTMGABJ-SFTDATJTSA-N 2 1 335.580 3.743 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447854911 1030544315 /nfs/dbraw/zinc/54/43/15/1030544315.db2.gz OOOMJTYSTLZVTB-QGZVFWFLSA-N 2 1 326.488 3.821 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000550890089 1030766677 /nfs/dbraw/zinc/76/66/77/1030766677.db2.gz DAYOEIQIOSWGGA-NQIIRXRSSA-N 2 1 340.515 3.723 20 0 EHADMP COc1ccc(-c2cc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)on2)cc1 ZINC000866709718 1030909686 /nfs/dbraw/zinc/90/96/86/1030909686.db2.gz ZHHNKVJIYXHIHG-HXUWFJFHSA-N 2 1 343.471 3.547 20 0 EHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000537692866 1030991218 /nfs/dbraw/zinc/99/12/18/1030991218.db2.gz NJDFHXOHXCXETD-HLAWJBBLSA-N 2 1 346.515 3.549 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000537692866 1030991243 /nfs/dbraw/zinc/99/12/43/1030991243.db2.gz NJDFHXOHXCXETD-HLAWJBBLSA-N 2 1 346.515 3.549 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000278489068 1031068360 /nfs/dbraw/zinc/06/83/60/1031068360.db2.gz BGYUUZVKYSGCAD-LSDHHAIUSA-N 2 1 331.485 3.740 20 0 EHADMP CCC(F)(F)C(C)(C)C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000527668296 1031097659 /nfs/dbraw/zinc/09/76/59/1031097659.db2.gz BAIVDQSMPQSXFG-UHFFFAOYSA-N 2 1 340.462 3.723 20 0 EHADMP Fc1cccc(Cl)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173956878 1031137363 /nfs/dbraw/zinc/13/73/63/1031137363.db2.gz LJIPYMIBSKVLKA-UHFFFAOYSA-N 2 1 340.870 3.556 20 0 EHADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483481621 1031188908 /nfs/dbraw/zinc/18/89/08/1031188908.db2.gz PVKLCOKUKUWHGC-CPUCHLNUSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483481621 1031188915 /nfs/dbraw/zinc/18/89/15/1031188915.db2.gz PVKLCOKUKUWHGC-CPUCHLNUSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483481621 1031188922 /nfs/dbraw/zinc/18/89/22/1031188922.db2.gz PVKLCOKUKUWHGC-CPUCHLNUSA-N 2 1 337.305 3.926 20 0 EHADMP C[C@H](c1ccccc1Br)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483481621 1031188926 /nfs/dbraw/zinc/18/89/26/1031188926.db2.gz PVKLCOKUKUWHGC-CPUCHLNUSA-N 2 1 337.305 3.926 20 0 EHADMP Clc1ccc(COCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903128463 1031241350 /nfs/dbraw/zinc/24/13/50/1031241350.db2.gz ZFVUXFLFYBBHLR-JLYLLQBASA-N 2 1 334.891 3.604 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000583973424 1031278560 /nfs/dbraw/zinc/27/85/60/1031278560.db2.gz CBKSXWUHBZPLEE-GOEBONIOSA-N 2 1 337.389 3.907 20 0 EHADMP C[N@@H+](C[C@@H]1CC=CCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551394684 1031294418 /nfs/dbraw/zinc/29/44/18/1031294418.db2.gz MNPSTNPWZNVFBK-CTNGQTDRSA-N 2 1 328.500 3.566 20 0 EHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100040 1031328323 /nfs/dbraw/zinc/32/83/23/1031328323.db2.gz FPJSMAIGZRVKGN-BBRMVZONSA-N 2 1 342.405 3.523 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000565697227 1031344920 /nfs/dbraw/zinc/34/49/20/1031344920.db2.gz GHYZGSXNLMPIGM-WIRSXHRWSA-N 2 1 330.516 3.964 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666996780 1031451116 /nfs/dbraw/zinc/45/11/16/1031451116.db2.gz FQVWWNHJDWWUDV-GFCCVEGCSA-N 2 1 343.696 3.867 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000528010210 1031588210 /nfs/dbraw/zinc/58/82/10/1031588210.db2.gz LWQZEEPLOMRTAF-IFIJOSMWSA-N 2 1 344.330 3.668 20 0 EHADMP COC[C@@H](CC(C)C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000484497213 1031634706 /nfs/dbraw/zinc/63/47/06/1031634706.db2.gz IROGTZLOTVULBX-JYRKZWEQSA-N 2 1 332.532 3.794 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158997713 1031781448 /nfs/dbraw/zinc/78/14/48/1031781448.db2.gz KQJPBUCAURWCHE-HOTGVXAUSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158997713 1031781456 /nfs/dbraw/zinc/78/14/56/1031781456.db2.gz KQJPBUCAURWCHE-HOTGVXAUSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000159008207 1031804603 /nfs/dbraw/zinc/80/46/03/1031804603.db2.gz AEWVEMZSUPSVMI-HOTGVXAUSA-N 2 1 334.508 3.670 20 0 EHADMP CCc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000159008207 1031804615 /nfs/dbraw/zinc/80/46/15/1031804615.db2.gz AEWVEMZSUPSVMI-HOTGVXAUSA-N 2 1 334.508 3.670 20 0 EHADMP CCC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccn1 ZINC000159317247 1032011491 /nfs/dbraw/zinc/01/14/91/1032011491.db2.gz WQVCFJXBBOJHKP-LJQANCHMSA-N 2 1 339.487 3.588 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@H]1SC ZINC000459398131 1032038168 /nfs/dbraw/zinc/03/81/68/1032038168.db2.gz SYADDUFVRQXDCN-GUDVDZBRSA-N 2 1 336.545 3.525 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138304 1032050005 /nfs/dbraw/zinc/05/00/05/1032050005.db2.gz NZQICJLRRKOLQI-PGRDOPGGSA-N 2 1 336.479 3.794 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1 ZINC000898064890 1033309893 /nfs/dbraw/zinc/30/98/93/1033309893.db2.gz NMIUVQFBWNBVTE-MOXGXCLJSA-N 2 1 337.467 3.791 20 0 EHADMP CC[N@@H+](Cc1ccncc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685451147 1033341158 /nfs/dbraw/zinc/34/11/58/1033341158.db2.gz OKAMODSKGSAAHG-UHFFFAOYSA-N 2 1 339.483 3.578 20 0 EHADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457485 1033348040 /nfs/dbraw/zinc/34/80/40/1033348040.db2.gz ZZLYFRBJENCCIN-GHTZIAJQSA-N 2 1 335.580 3.693 20 0 EHADMP CC(C)[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457333 1033348651 /nfs/dbraw/zinc/34/86/51/1033348651.db2.gz ARHGBGOHLKKMJU-FCHUYYIVSA-N 2 1 343.559 3.527 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000120105249 1033369737 /nfs/dbraw/zinc/36/97/37/1033369737.db2.gz USZBGHXYCVECNN-FQEVSTJZSA-N 2 1 345.462 3.792 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000120105249 1033369750 /nfs/dbraw/zinc/36/97/50/1033369750.db2.gz USZBGHXYCVECNN-FQEVSTJZSA-N 2 1 345.462 3.792 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470820 1033372858 /nfs/dbraw/zinc/37/28/58/1033372858.db2.gz UMMDUOKUQRHVOT-NVXWUHKLSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470820 1033372871 /nfs/dbraw/zinc/37/28/71/1033372871.db2.gz UMMDUOKUQRHVOT-NVXWUHKLSA-N 2 1 326.406 3.930 20 0 EHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470820 1033372887 /nfs/dbraw/zinc/37/28/87/1033372887.db2.gz UMMDUOKUQRHVOT-NVXWUHKLSA-N 2 1 326.406 3.930 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C)c2C2CC2)CC1)CC1CC1 ZINC000892404107 1033530467 /nfs/dbraw/zinc/53/04/67/1033530467.db2.gz XXYJGWHESPOCFE-UHFFFAOYSA-N 2 1 344.547 3.632 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708582461 1033571135 /nfs/dbraw/zinc/57/11/35/1033571135.db2.gz UUYTWMBWIDSKIS-APWZRJJASA-N 2 1 342.458 3.692 20 0 EHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708582461 1033571141 /nfs/dbraw/zinc/57/11/41/1033571141.db2.gz UUYTWMBWIDSKIS-APWZRJJASA-N 2 1 342.458 3.692 20 0 EHADMP CC(C)CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001168299866 1033639565 /nfs/dbraw/zinc/63/95/65/1033639565.db2.gz PCLFRVZALCPJMQ-OFLPRAFFSA-N 2 1 326.525 3.595 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685665193 1033714527 /nfs/dbraw/zinc/71/45/27/1033714527.db2.gz IRXDFGXAPAWTQF-VQIMIIECSA-N 2 1 326.488 3.671 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665193 1033714540 /nfs/dbraw/zinc/71/45/40/1033714540.db2.gz IRXDFGXAPAWTQF-VQIMIIECSA-N 2 1 326.488 3.671 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497440 1033727798 /nfs/dbraw/zinc/72/77/98/1033727798.db2.gz SSSXSWWECLSLSQ-UYAOXDASSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000608497440 1033727811 /nfs/dbraw/zinc/72/78/11/1033727811.db2.gz SSSXSWWECLSLSQ-UYAOXDASSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497440 1033727827 /nfs/dbraw/zinc/72/78/27/1033727827.db2.gz SSSXSWWECLSLSQ-UYAOXDASSA-N 2 1 329.532 3.839 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000608497440 1033727840 /nfs/dbraw/zinc/72/78/40/1033727840.db2.gz SSSXSWWECLSLSQ-UYAOXDASSA-N 2 1 329.532 3.839 20 0 EHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000599168876 1033785203 /nfs/dbraw/zinc/78/52/03/1033785203.db2.gz ZOLKJTNBWQAYJA-NRFANRHFSA-N 2 1 343.559 3.586 20 0 EHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000599168876 1033785218 /nfs/dbraw/zinc/78/52/18/1033785218.db2.gz ZOLKJTNBWQAYJA-NRFANRHFSA-N 2 1 343.559 3.586 20 0 EHADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000550648189 1033814340 /nfs/dbraw/zinc/81/43/40/1033814340.db2.gz YHOSCPURRGVDEH-LEWJYISDSA-N 2 1 331.548 3.920 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168406555 1033849137 /nfs/dbraw/zinc/84/91/37/1033849137.db2.gz HIXHYCUMCPDDEU-HXUWFJFHSA-N 2 1 339.458 3.645 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000658061621 1033876482 /nfs/dbraw/zinc/87/64/82/1033876482.db2.gz PQWXVNOGBCQRJT-XVAXZDLZSA-N 2 1 343.559 3.892 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658123947 1033982800 /nfs/dbraw/zinc/98/28/00/1033982800.db2.gz OCXHREUWUOIGKT-YTFSRNRJSA-N 2 1 349.522 3.823 20 0 EHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000529530353 1034112822 /nfs/dbraw/zinc/11/28/22/1034112822.db2.gz DUMMURGHFNNWBK-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000529530353 1034112830 /nfs/dbraw/zinc/11/28/30/1034112830.db2.gz DUMMURGHFNNWBK-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP CCc1cc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)on1 ZINC000450325423 1034137932 /nfs/dbraw/zinc/13/79/32/1034137932.db2.gz UDHAMLJOJDLLFP-SFHVURJKSA-N 2 1 333.520 3.614 20 0 EHADMP CCc1cc(CCC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)on1 ZINC000450325423 1034137946 /nfs/dbraw/zinc/13/79/46/1034137946.db2.gz UDHAMLJOJDLLFP-SFHVURJKSA-N 2 1 333.520 3.614 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001168328175 1034182236 /nfs/dbraw/zinc/18/22/36/1034182236.db2.gz YRFOTBSYIHZSJO-ACBHZAAOSA-N 2 1 336.907 3.760 20 0 EHADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316788 1034191723 /nfs/dbraw/zinc/19/17/23/1034191723.db2.gz HDYGJHZFWUKHNU-MJGOQNOKSA-N 2 1 330.516 3.692 20 0 EHADMP C[NH+](C)C1CCC([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001168329594 1034193352 /nfs/dbraw/zinc/19/33/52/1034193352.db2.gz YIZOIGKEAXNXOD-UHFFFAOYSA-N 2 1 326.406 3.936 20 0 EHADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(C)C ZINC000658320020 1034193798 /nfs/dbraw/zinc/19/37/98/1034193798.db2.gz MCQRDSVFTUJMLW-UXHICEINSA-N 2 1 330.516 3.549 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658320211 1034193845 /nfs/dbraw/zinc/19/38/45/1034193845.db2.gz RPPUCEVYALYPRC-WIYYLYMNSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)CC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000924530285 1034307920 /nfs/dbraw/zinc/30/79/20/1034307920.db2.gz XMFULIQWTDKGRM-UHFFFAOYSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388475 1034358700 /nfs/dbraw/zinc/35/87/00/1034358700.db2.gz FEEKJIQEFBDRBZ-RBUKOAKNSA-N 2 1 335.923 3.503 20 0 EHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388475 1034358714 /nfs/dbraw/zinc/35/87/14/1034358714.db2.gz FEEKJIQEFBDRBZ-RBUKOAKNSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388565 1034360674 /nfs/dbraw/zinc/36/06/74/1034360674.db2.gz IXNOFDLITINQCP-AVRDEDQJSA-N 2 1 337.511 3.613 20 0 EHADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892453190 1034376757 /nfs/dbraw/zinc/37/67/57/1034376757.db2.gz DTQQFLHNDMSIAI-PBHICJAKSA-N 2 1 326.406 3.814 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340179737 1034405747 /nfs/dbraw/zinc/40/57/47/1034405747.db2.gz GGSHJQBREAASCT-KNQAVFIVSA-N 2 1 348.494 3.770 20 0 EHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179737 1034405750 /nfs/dbraw/zinc/40/57/50/1034405750.db2.gz GGSHJQBREAASCT-KNQAVFIVSA-N 2 1 348.494 3.770 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@@H]1c1ccccc1 ZINC000340310140 1034491242 /nfs/dbraw/zinc/49/12/42/1034491242.db2.gz QNQKIDBLVSWFRO-AZUAARDMSA-N 2 1 334.467 3.531 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[C@@H]1c1ccccc1 ZINC000340310140 1034491254 /nfs/dbraw/zinc/49/12/54/1034491254.db2.gz QNQKIDBLVSWFRO-AZUAARDMSA-N 2 1 334.467 3.531 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@@H]1c1ccccc1 ZINC000340393082 1034498320 /nfs/dbraw/zinc/49/83/20/1034498320.db2.gz JANRUPFHGYBUDP-VQTJNVASSA-N 2 1 335.495 3.928 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@@H]1c1ccccc1 ZINC000340393082 1034498334 /nfs/dbraw/zinc/49/83/34/1034498334.db2.gz JANRUPFHGYBUDP-VQTJNVASSA-N 2 1 335.495 3.928 20 0 EHADMP CSC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000597229890 1034610591 /nfs/dbraw/zinc/61/05/91/1034610591.db2.gz KRLFMPXXGFAAEV-SFHVURJKSA-N 2 1 330.541 3.774 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000525708531 1034761316 /nfs/dbraw/zinc/76/13/16/1034761316.db2.gz WYCZZOVFTIHUHZ-XHDPSFHLSA-N 2 1 341.282 3.842 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000525708531 1034761326 /nfs/dbraw/zinc/76/13/26/1034761326.db2.gz WYCZZOVFTIHUHZ-XHDPSFHLSA-N 2 1 341.282 3.842 20 0 EHADMP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918443 1034796968 /nfs/dbraw/zinc/79/69/68/1034796968.db2.gz RUAXOQWSZBPONN-VQIMIIECSA-N 2 1 336.907 3.835 20 0 EHADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000548918443 1034796981 /nfs/dbraw/zinc/79/69/81/1034796981.db2.gz RUAXOQWSZBPONN-VQIMIIECSA-N 2 1 336.907 3.835 20 0 EHADMP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918291 1034799339 /nfs/dbraw/zinc/79/93/39/1034799339.db2.gz LAPJVQPKKGRYAZ-OALUTQOASA-N 2 1 336.907 3.978 20 0 EHADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000548918291 1034799353 /nfs/dbraw/zinc/79/93/53/1034799353.db2.gz LAPJVQPKKGRYAZ-OALUTQOASA-N 2 1 336.907 3.978 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]21 ZINC000322843811 1034854008 /nfs/dbraw/zinc/85/40/08/1034854008.db2.gz MPKBMVZFZQEMKO-FVQBIDKESA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]21 ZINC000322843811 1034854020 /nfs/dbraw/zinc/85/40/20/1034854020.db2.gz MPKBMVZFZQEMKO-FVQBIDKESA-N 2 1 331.847 3.554 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1Br ZINC000121435629 1034950118 /nfs/dbraw/zinc/95/01/18/1034950118.db2.gz UQGLJVWOUKWJBA-CHWSQXEVSA-N 2 1 336.277 3.941 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCO[C@H]2CCCCO2)CC1)CC(C)C ZINC000444686514 1034978496 /nfs/dbraw/zinc/97/84/96/1034978496.db2.gz CXGLIRKKZMPYOA-FQEVSTJZSA-N 2 1 340.552 3.610 20 0 EHADMP C[NH+](C)CC1(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000584484270 1035008984 /nfs/dbraw/zinc/00/89/84/1035008984.db2.gz WYIYMVGRMHTPTR-PMACEKPBSA-N 2 1 329.532 3.534 20 0 EHADMP CN1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C[C@H]1c1ccccc1 ZINC000584484270 1035008988 /nfs/dbraw/zinc/00/89/88/1035008988.db2.gz WYIYMVGRMHTPTR-PMACEKPBSA-N 3 1 329.532 3.534 20 0 EHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(OC(F)(F)F)c1 ZINC001143465224 1035057317 /nfs/dbraw/zinc/05/73/17/1035057317.db2.gz YWGWODMKWUIPNZ-UHFFFAOYSA-N 2 1 330.394 3.667 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414126527 1035649721 /nfs/dbraw/zinc/64/97/21/1035649721.db2.gz RLNFLIQDTPKOBV-ICSRJNTNSA-N 2 1 349.950 3.593 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414126530 1035650104 /nfs/dbraw/zinc/65/01/04/1035650104.db2.gz RLNFLIQDTPKOBV-QUCCMNQESA-N 2 1 349.950 3.593 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000540962319 1035841788 /nfs/dbraw/zinc/84/17/88/1035841788.db2.gz DYBWUDRLFBPQQB-SLYNCCJLSA-N 2 1 336.479 3.929 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000540962319 1035841807 /nfs/dbraw/zinc/84/18/07/1035841807.db2.gz DYBWUDRLFBPQQB-SLYNCCJLSA-N 2 1 336.479 3.929 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000414175072 1035895692 /nfs/dbraw/zinc/89/56/92/1035895692.db2.gz IASPWFXIEJEQAQ-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414178546 1035897461 /nfs/dbraw/zinc/89/74/61/1035897461.db2.gz KLZKEJIHHMEXTN-IPJUCJBFSA-N 2 1 326.488 3.514 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000414183036 1035936446 /nfs/dbraw/zinc/93/64/46/1035936446.db2.gz NMTVUYAOTAMXTJ-KBPBESRZSA-N 2 1 330.394 3.968 20 0 EHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000414183040 1035937825 /nfs/dbraw/zinc/93/78/25/1035937825.db2.gz NMTVUYAOTAMXTJ-KGLIPLIRSA-N 2 1 330.394 3.968 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000414183846 1035940980 /nfs/dbraw/zinc/94/09/80/1035940980.db2.gz NPPZVQMBOPAAHO-UHFFFAOYSA-N 3 1 348.494 3.867 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc3cncn3c2)CC1 ZINC000414183846 1035940998 /nfs/dbraw/zinc/94/09/98/1035940998.db2.gz NPPZVQMBOPAAHO-UHFFFAOYSA-N 2 1 348.494 3.867 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc3cncn3c2)CC1 ZINC000414183846 1035941020 /nfs/dbraw/zinc/94/10/20/1035941020.db2.gz NPPZVQMBOPAAHO-UHFFFAOYSA-N 2 1 348.494 3.867 20 0 EHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000414186898 1035968478 /nfs/dbraw/zinc/96/84/78/1035968478.db2.gz PQLBSCMVKCALEP-CHWSQXEVSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1C(C)(C)C ZINC000535090360 1036014399 /nfs/dbraw/zinc/01/43/99/1036014399.db2.gz ZOCKFCWCKJBPLW-SFHVURJKSA-N 2 1 331.548 3.662 20 0 EHADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000414207841 1036074429 /nfs/dbraw/zinc/07/44/29/1036074429.db2.gz KKLAXMKVBVVYPZ-OYNPSCLESA-N 2 1 330.516 3.692 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414233045 1036194798 /nfs/dbraw/zinc/19/47/98/1036194798.db2.gz QWHHMAZTERQJMN-FXAWDEMLSA-N 2 1 347.547 3.606 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414233045 1036194819 /nfs/dbraw/zinc/19/48/19/1036194819.db2.gz QWHHMAZTERQJMN-FXAWDEMLSA-N 2 1 347.547 3.606 20 0 EHADMP Cc1ccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168388125 1036317628 /nfs/dbraw/zinc/31/76/28/1036317628.db2.gz AUTOVLLTRLSOIH-OAQYLSRUSA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccc(Br)c(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000414267372 1036351217 /nfs/dbraw/zinc/35/12/17/1036351217.db2.gz SUGUXPIXQXZLNE-WOSRLPQWSA-N 2 1 325.294 3.576 20 0 EHADMP C[C@H]1CCSCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191816372 1036434250 /nfs/dbraw/zinc/43/42/50/1036434250.db2.gz BHHJCXYGVFZWPI-KRWDZBQOSA-N 2 1 347.572 3.544 20 0 EHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(C)C ZINC000414293294 1036492096 /nfs/dbraw/zinc/49/20/96/1036492096.db2.gz MKYDFUPEAKBYLC-HGJUEJDCSA-N 2 1 330.516 3.567 20 0 EHADMP COC1([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000414292150 1036502686 /nfs/dbraw/zinc/50/26/86/1036502686.db2.gz AJMKZETZRVYQSY-AFYVEPGGSA-N 2 1 328.500 3.729 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398136618 1036537843 /nfs/dbraw/zinc/53/78/43/1036537843.db2.gz LFEKZIZTPMLONW-IIBYNOLFSA-N 2 1 342.458 3.835 20 0 EHADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398136618 1036537852 /nfs/dbraw/zinc/53/78/52/1036537852.db2.gz LFEKZIZTPMLONW-IIBYNOLFSA-N 2 1 342.458 3.835 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000414313639 1036609902 /nfs/dbraw/zinc/60/99/02/1036609902.db2.gz PBNPRUPYICYTKI-IAGOWNOFSA-N 2 1 338.499 3.553 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCOC4(CCCCC4)C3)C2)cc1 ZINC000310883614 1036713870 /nfs/dbraw/zinc/71/38/70/1036713870.db2.gz AAAMJMSPHYMEBJ-RTWAWAEBSA-N 2 1 342.527 3.980 20 0 EHADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462395845 1036922620 /nfs/dbraw/zinc/92/26/20/1036922620.db2.gz WDWVBSBXEBWTBM-QGZVFWFLSA-N 2 1 342.405 3.550 20 0 EHADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000590786274 1037051659 /nfs/dbraw/zinc/05/16/59/1037051659.db2.gz LXXKBOKZVOVABK-SFHVURJKSA-N 2 1 345.531 3.683 20 0 EHADMP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786761 1037055439 /nfs/dbraw/zinc/05/54/39/1037055439.db2.gz PLIZABJIOXXVSG-KRWDZBQOSA-N 2 1 345.531 3.628 20 0 EHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CCCC2)cc1)C(C)C ZINC000104575331 1037060807 /nfs/dbraw/zinc/06/08/07/1037060807.db2.gz IIXVHQARLPIDPD-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1)C(C)C ZINC000104575331 1037060827 /nfs/dbraw/zinc/06/08/27/1037060827.db2.gz IIXVHQARLPIDPD-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1)C(C)C ZINC000104575331 1037060844 /nfs/dbraw/zinc/06/08/44/1037060844.db2.gz IIXVHQARLPIDPD-UHFFFAOYSA-N 2 1 345.531 3.521 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1SC ZINC000647543704 1037093904 /nfs/dbraw/zinc/09/39/04/1037093904.db2.gz RECRXQAXFCOBFP-SJORKVTESA-N 2 1 334.529 3.629 20 0 EHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544225 1037096185 /nfs/dbraw/zinc/09/61/85/1037096185.db2.gz YJNJFYAZWKFXDP-OALUTQOASA-N 2 1 338.499 3.597 20 0 EHADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543862 1037097349 /nfs/dbraw/zinc/09/73/49/1037097349.db2.gz SZGWMNDIRWOSTA-QZTJIDSGSA-N 2 1 340.515 3.658 20 0 EHADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000428557976 1037167098 /nfs/dbraw/zinc/16/70/98/1037167098.db2.gz FHTRBWWMBWONJW-SFHVURJKSA-N 2 1 345.874 3.691 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000539816994 1037235805 /nfs/dbraw/zinc/23/58/05/1037235805.db2.gz MBDOUTMKWYTXOS-AAEUAGOBSA-N 2 1 331.323 3.815 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542320038 1037271039 /nfs/dbraw/zinc/27/10/39/1037271039.db2.gz OYLDBBTVTGLIJR-GOSISDBHSA-N 2 1 340.467 3.919 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000539852521 1037295897 /nfs/dbraw/zinc/29/58/97/1037295897.db2.gz UFLKYTJAMLPPFM-WOJBJXKFSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000539852521 1037295906 /nfs/dbraw/zinc/29/59/06/1037295906.db2.gz UFLKYTJAMLPPFM-WOJBJXKFSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000539852521 1037295920 /nfs/dbraw/zinc/29/59/20/1037295920.db2.gz UFLKYTJAMLPPFM-WOJBJXKFSA-N 2 1 330.516 3.503 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C[C@H](C)O1 ZINC000532454414 1037315461 /nfs/dbraw/zinc/31/54/61/1037315461.db2.gz NUKDXDMYSIXXCV-IYBDPMFKSA-N 2 1 328.500 3.574 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461388 1037349661 /nfs/dbraw/zinc/34/96/61/1037349661.db2.gz MTQNVQQRCQVSBN-YKCBXCCJSA-N 2 1 349.950 3.795 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000462783610 1037382721 /nfs/dbraw/zinc/38/27/21/1037382721.db2.gz RZOHZPHOTFHUKS-JAXLGGSGSA-N 2 1 342.527 3.836 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000532522725 1037547595 /nfs/dbraw/zinc/54/75/95/1037547595.db2.gz FAQAHMMRERDEDI-GPMSIDNRSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000532522725 1037547612 /nfs/dbraw/zinc/54/76/12/1037547612.db2.gz FAQAHMMRERDEDI-GPMSIDNRSA-N 2 1 331.504 3.599 20 0 EHADMP C[C@H]1CC[N@@H+](CCN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000532531315 1037554060 /nfs/dbraw/zinc/55/40/60/1037554060.db2.gz HPDMMUDYYWUEQF-BLLLJJGKSA-N 2 1 328.378 3.504 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000540171674 1037638855 /nfs/dbraw/zinc/63/88/55/1037638855.db2.gz VOHGQTFEQDGDOK-GHTZIAJQSA-N 2 1 337.511 3.753 20 0 EHADMP Cc1ccc(C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000540172825 1037642532 /nfs/dbraw/zinc/64/25/32/1037642532.db2.gz XOEKSLONDMHJSC-XQBPLPMBSA-N 2 1 344.543 3.795 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](CCc2c(C)noc2C)CC1)CC(C)C ZINC000540196696 1037691854 /nfs/dbraw/zinc/69/18/54/1037691854.db2.gz DWKOIAAXXYSVDK-UHFFFAOYSA-N 2 1 335.536 3.914 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493884502 1037696566 /nfs/dbraw/zinc/69/65/66/1037696566.db2.gz YGDFDBSWTQHJOD-KMFTYDHNSA-N 2 1 330.516 3.978 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000493917579 1037710199 /nfs/dbraw/zinc/71/01/99/1037710199.db2.gz SGQGFGASVMHZAK-DAXOMENPSA-N 2 1 337.305 3.817 20 0 EHADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000493917579 1037710218 /nfs/dbraw/zinc/71/02/18/1037710218.db2.gz SGQGFGASVMHZAK-DAXOMENPSA-N 2 1 337.305 3.817 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493898639 1037717925 /nfs/dbraw/zinc/71/79/25/1037717925.db2.gz XUTVJTFSEDQMMY-UJMXGEILSA-N 2 1 334.548 3.682 20 0 EHADMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000310937176 1037815495 /nfs/dbraw/zinc/81/54/95/1037815495.db2.gz VUYZJWVHCPYKCJ-LJQANCHMSA-N 2 1 336.483 3.925 20 0 EHADMP CCOc1cc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875215 1037893320 /nfs/dbraw/zinc/89/33/20/1037893320.db2.gz SPVBVVACDJLWIO-KCQAQPDRSA-N 2 1 342.430 3.505 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000163875215 1037893352 /nfs/dbraw/zinc/89/33/52/1037893352.db2.gz SPVBVVACDJLWIO-KCQAQPDRSA-N 2 1 342.430 3.505 20 0 EHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000173391698 1038065402 /nfs/dbraw/zinc/06/54/02/1038065402.db2.gz OQXVCXMASQWFAG-SFHVURJKSA-N 2 1 331.548 3.662 20 0 EHADMP CCCn1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000124058974 1038129181 /nfs/dbraw/zinc/12/91/81/1038129181.db2.gz HRJHGBFCPGZIHT-WIYYLYMNSA-N 2 1 340.515 3.778 20 0 EHADMP Cc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)c1 ZINC000655779042 1038131016 /nfs/dbraw/zinc/13/10/16/1038131016.db2.gz AUSFQHWSSPMRCR-HXUWFJFHSA-N 2 1 328.500 3.607 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125047832 1038270503 /nfs/dbraw/zinc/27/05/03/1038270503.db2.gz ADHIJMNAQPISCO-OXQOHEQNSA-N 2 1 326.488 3.686 20 0 EHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2cnn(C)c2C2CC2)c(C)c1 ZINC000893181078 1038280786 /nfs/dbraw/zinc/28/07/86/1038280786.db2.gz BSEICGAKUUKOIC-HXUWFJFHSA-N 2 1 349.482 3.642 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000125499757 1038333849 /nfs/dbraw/zinc/33/38/49/1038333849.db2.gz XZWWTGDDWPAIMB-GOSISDBHSA-N 2 1 341.455 3.580 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000125499757 1038333868 /nfs/dbraw/zinc/33/38/68/1038333868.db2.gz XZWWTGDDWPAIMB-GOSISDBHSA-N 2 1 341.455 3.580 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000125499757 1038333883 /nfs/dbraw/zinc/33/38/83/1038333883.db2.gz XZWWTGDDWPAIMB-GOSISDBHSA-N 2 1 341.455 3.580 20 0 EHADMP COc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538796640 1038532044 /nfs/dbraw/zinc/53/20/44/1038532044.db2.gz OEGULMABQMNXPH-MLGOLLRUSA-N 2 1 343.298 3.918 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cn(C)cn1 ZINC000924674205 1038559755 /nfs/dbraw/zinc/55/97/55/1038559755.db2.gz ZODAAONNKPIHPP-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cn(C)cn1 ZINC000924674205 1038559761 /nfs/dbraw/zinc/55/97/61/1038559761.db2.gz ZODAAONNKPIHPP-IRXDYDNUSA-N 2 1 326.488 3.645 20 0 EHADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000689869379 1038596860 /nfs/dbraw/zinc/59/68/60/1038596860.db2.gz MJJSCFOLXWXTCD-HMXCVIKNSA-N 2 1 330.516 3.693 20 0 EHADMP COC[C@H](CC(C)C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539039478 1038648337 /nfs/dbraw/zinc/64/83/37/1038648337.db2.gz CHLYDAQMCFTYLJ-NRSPTQNISA-N 2 1 332.532 3.938 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(OCC2CC2)c1 ZINC000552044292 1038911319 /nfs/dbraw/zinc/91/13/19/1038911319.db2.gz ZHRGQPZJVZJTKC-XUVXKRRUSA-N 2 1 328.500 3.746 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000552098999 1038983852 /nfs/dbraw/zinc/98/38/52/1038983852.db2.gz VSDHBHLLLYGYBO-HOCLYGCPSA-N 2 1 326.406 3.972 20 0 EHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000477942143 1039064279 /nfs/dbraw/zinc/06/42/79/1039064279.db2.gz SSUFZSCUFRGYPG-AZUAARDMSA-N 3 1 335.580 3.741 20 0 EHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552252306 1039130401 /nfs/dbraw/zinc/13/04/01/1039130401.db2.gz IBTIEHDHAZHLEY-JOCBIADPSA-N 2 1 336.907 3.960 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000898519678 1039189765 /nfs/dbraw/zinc/18/97/65/1039189765.db2.gz QDDCNADULVAWJP-QYZOEREBSA-N 2 1 341.524 3.842 20 0 EHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C[C@H]4CCSC4)CC[C@@H]3C2)cc1 ZINC000898520251 1039191871 /nfs/dbraw/zinc/19/18/71/1039191871.db2.gz WQYQUKIWALWMCI-ZRNYENFQSA-N 2 1 330.541 3.630 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(C)(C)C)c1 ZINC000660116368 1039217617 /nfs/dbraw/zinc/21/76/17/1039217617.db2.gz IBHOFKUPRXGPJT-HSALFYBXSA-N 2 1 330.516 3.668 20 0 EHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(C)(C)C)c1 ZINC000660116369 1039218093 /nfs/dbraw/zinc/21/80/93/1039218093.db2.gz IBHOFKUPRXGPJT-VAMGGRTRSA-N 2 1 330.516 3.668 20 0 EHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000480160182 1039245686 /nfs/dbraw/zinc/24/56/86/1039245686.db2.gz NQHGJKOHEQINMH-HNNXBMFYSA-N 2 1 336.442 3.732 20 0 EHADMP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000480160183 1039245866 /nfs/dbraw/zinc/24/58/66/1039245866.db2.gz NQHGJKOHEQINMH-OAHLLOKOSA-N 2 1 336.442 3.732 20 0 EHADMP FC(F)(F)C1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000554401381 1039309481 /nfs/dbraw/zinc/30/94/81/1039309481.db2.gz AXRAGBMTQNJWTH-UHFFFAOYSA-N 2 1 326.406 3.624 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219903 1039318039 /nfs/dbraw/zinc/31/80/39/1039318039.db2.gz DJXUUBLBUYZWAO-SIKLNZKXSA-N 2 1 337.511 3.623 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000480219903 1039318050 /nfs/dbraw/zinc/31/80/50/1039318050.db2.gz DJXUUBLBUYZWAO-SIKLNZKXSA-N 2 1 337.511 3.623 20 0 EHADMP Cc1nsc(C)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567286717 1039320574 /nfs/dbraw/zinc/32/05/74/1039320574.db2.gz TWGYUKJTMQFNST-MOPGFXCFSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567286717 1039320586 /nfs/dbraw/zinc/32/05/86/1039320586.db2.gz TWGYUKJTMQFNST-MOPGFXCFSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567286717 1039320601 /nfs/dbraw/zinc/32/06/01/1039320601.db2.gz TWGYUKJTMQFNST-MOPGFXCFSA-N 2 1 341.524 3.714 20 0 EHADMP Cc1nsc(C)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567286717 1039320617 /nfs/dbraw/zinc/32/06/17/1039320617.db2.gz TWGYUKJTMQFNST-MOPGFXCFSA-N 2 1 341.524 3.714 20 0 EHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)c1 ZINC000906158246 1039326597 /nfs/dbraw/zinc/32/65/97/1039326597.db2.gz KCDITSNXFNTLHV-VQIMIIECSA-N 2 1 336.483 3.595 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000339211133 1039354278 /nfs/dbraw/zinc/35/42/78/1039354278.db2.gz BKVGHRAJVRJUFT-UHFFFAOYSA-N 2 1 327.472 3.903 20 0 EHADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488738383 1039365000 /nfs/dbraw/zinc/36/50/00/1039365000.db2.gz YWWKALNVPNGUDQ-PJIJBLCYSA-N 2 1 343.446 3.549 20 0 EHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658286 1039418454 /nfs/dbraw/zinc/41/84/54/1039418454.db2.gz CFAMZUXKXNBJFM-NVXWUHKLSA-N 2 1 336.414 3.784 20 0 EHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667658286 1039418461 /nfs/dbraw/zinc/41/84/61/1039418461.db2.gz CFAMZUXKXNBJFM-NVXWUHKLSA-N 2 1 336.414 3.784 20 0 EHADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000485685907 1039423151 /nfs/dbraw/zinc/42/31/51/1039423151.db2.gz RCZOPOYINGKNEI-VQIMIIECSA-N 2 1 343.515 3.587 20 0 EHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000485685907 1039423159 /nfs/dbraw/zinc/42/31/59/1039423159.db2.gz RCZOPOYINGKNEI-VQIMIIECSA-N 2 1 343.515 3.587 20 0 EHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000485685907 1039423168 /nfs/dbraw/zinc/42/31/68/1039423168.db2.gz RCZOPOYINGKNEI-VQIMIIECSA-N 2 1 343.515 3.587 20 0 EHADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480539626 1039660759 /nfs/dbraw/zinc/66/07/59/1039660759.db2.gz VCKBJPZYYCBYHK-HJNYFJLDSA-N 2 1 343.559 3.607 20 0 EHADMP CCc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000667707387 1039754467 /nfs/dbraw/zinc/75/44/67/1039754467.db2.gz YPKCWMBJGXPDGI-DFQSSKMNSA-N 2 1 342.483 3.679 20 0 EHADMP CCc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000667707387 1039754483 /nfs/dbraw/zinc/75/44/83/1039754483.db2.gz YPKCWMBJGXPDGI-DFQSSKMNSA-N 2 1 342.483 3.679 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000480632234 1039808813 /nfs/dbraw/zinc/80/88/13/1039808813.db2.gz RVWGQKSZMGVBRX-XJKSGUPXSA-N 2 1 339.321 3.657 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000310368278 1039843547 /nfs/dbraw/zinc/84/35/47/1039843547.db2.gz MWKZJBYPFJQFQX-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522422 1040042410 /nfs/dbraw/zinc/04/24/10/1040042410.db2.gz YPWSUZSDPIUFEV-NTZNESFSSA-N 2 1 329.257 3.722 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000489522422 1040042426 /nfs/dbraw/zinc/04/24/26/1040042426.db2.gz YPWSUZSDPIUFEV-NTZNESFSSA-N 2 1 329.257 3.722 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549840754 1040018814 /nfs/dbraw/zinc/01/88/14/1040018814.db2.gz NUCPZGDYVWIVCD-KRWDZBQOSA-N 2 1 343.298 3.790 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549840754 1040018836 /nfs/dbraw/zinc/01/88/36/1040018836.db2.gz NUCPZGDYVWIVCD-KRWDZBQOSA-N 2 1 343.298 3.790 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549840754 1040018853 /nfs/dbraw/zinc/01/88/53/1040018853.db2.gz NUCPZGDYVWIVCD-KRWDZBQOSA-N 2 1 343.298 3.790 20 0 EHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062875 1040030052 /nfs/dbraw/zinc/03/00/52/1040030052.db2.gz FQSJPVAOQHJJAG-SFHVURJKSA-N 2 1 340.515 3.734 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062875 1040030060 /nfs/dbraw/zinc/03/00/60/1040030060.db2.gz FQSJPVAOQHJJAG-SFHVURJKSA-N 2 1 340.515 3.734 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062875 1040030074 /nfs/dbraw/zinc/03/00/74/1040030074.db2.gz FQSJPVAOQHJJAG-SFHVURJKSA-N 2 1 340.515 3.734 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000894062875 1040030092 /nfs/dbraw/zinc/03/00/92/1040030092.db2.gz FQSJPVAOQHJJAG-SFHVURJKSA-N 2 1 340.515 3.734 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087476 1040063401 /nfs/dbraw/zinc/06/34/01/1040063401.db2.gz ZYENHWNHAORIKM-OAHLLOKOSA-N 2 1 330.497 3.771 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087476 1040063419 /nfs/dbraw/zinc/06/34/19/1040063419.db2.gz ZYENHWNHAORIKM-OAHLLOKOSA-N 2 1 330.497 3.771 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087476 1040063434 /nfs/dbraw/zinc/06/34/34/1040063434.db2.gz ZYENHWNHAORIKM-OAHLLOKOSA-N 2 1 330.497 3.771 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894087476 1040063449 /nfs/dbraw/zinc/06/34/49/1040063449.db2.gz ZYENHWNHAORIKM-OAHLLOKOSA-N 2 1 330.497 3.771 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnn2CC2CC2)CC1)CC1CC1 ZINC000667757732 1040073840 /nfs/dbraw/zinc/07/38/40/1040073840.db2.gz JSDDPGVYWWFFEK-UHFFFAOYSA-N 2 1 344.547 3.627 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489611564 1040106056 /nfs/dbraw/zinc/10/60/56/1040106056.db2.gz PUILKFUQNSADGX-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479347557 1040153070 /nfs/dbraw/zinc/15/30/70/1040153070.db2.gz IAZRERMSBLUSBZ-MRXNPFEDSA-N 2 1 337.305 3.855 20 0 EHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000417945401 1040355446 /nfs/dbraw/zinc/35/54/46/1040355446.db2.gz QYAACBOQUNFCDK-SFHVURJKSA-N 2 1 328.456 3.569 20 0 EHADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000486983893 1040622461 /nfs/dbraw/zinc/62/24/61/1040622461.db2.gz DODOHFZJOXFAQT-UHFFFAOYSA-N 2 1 334.479 3.969 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)CCSc2ccc(F)cc2F)CC1 ZINC000659869255 1040668899 /nfs/dbraw/zinc/66/88/99/1040668899.db2.gz UDPDHLWTEMBGDR-UHFFFAOYSA-N 2 1 328.472 3.862 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)CCSc2ccc(F)cc2F)CC1 ZINC000659869255 1040668906 /nfs/dbraw/zinc/66/89/06/1040668906.db2.gz UDPDHLWTEMBGDR-UHFFFAOYSA-N 2 1 328.472 3.862 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)CC3 ZINC000491036098 1040878653 /nfs/dbraw/zinc/87/86/53/1040878653.db2.gz KPZISQDOIGZBOV-INIZCTEOSA-N 2 1 325.500 3.798 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)CC3 ZINC000491036098 1040878668 /nfs/dbraw/zinc/87/86/68/1040878668.db2.gz KPZISQDOIGZBOV-INIZCTEOSA-N 2 1 325.500 3.798 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000051907989 1040938427 /nfs/dbraw/zinc/93/84/27/1040938427.db2.gz RGYLIALPLAXJBD-UHFFFAOYSA-N 2 1 342.487 3.599 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000586767697 1041005804 /nfs/dbraw/zinc/00/58/04/1041005804.db2.gz WUXNLHJZLYVLMN-UHFFFAOYSA-N 2 1 344.478 3.565 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000390609027 1041120139 /nfs/dbraw/zinc/12/01/39/1041120139.db2.gz WKLMSEDJYMLSNM-XICAJGIJSA-N 2 1 328.500 3.729 20 0 EHADMP CC1CC[NH+](CCC[NH2+]Cc2cccc(Br)c2)CC1 ZINC000020146216 1041188046 /nfs/dbraw/zinc/18/80/46/1041188046.db2.gz HSENAXKJUGHQTO-UHFFFAOYSA-N 2 1 325.294 3.661 20 0 EHADMP COc1cccc2c(NC3CC[NH+](CC4CC4)CC3)cc(C)[nH+]c12 ZINC000481704295 1041275845 /nfs/dbraw/zinc/27/58/45/1041275845.db2.gz UVKLKDIPOCQHRR-UHFFFAOYSA-N 2 1 325.456 3.838 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000481712517 1041292745 /nfs/dbraw/zinc/29/27/45/1041292745.db2.gz ATILAAVPUADMRZ-NQIIRXRSSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000481712517 1041292749 /nfs/dbraw/zinc/29/27/49/1041292749.db2.gz ATILAAVPUADMRZ-NQIIRXRSSA-N 2 1 330.516 3.836 20 0 EHADMP C[C@@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729033 1041392625 /nfs/dbraw/zinc/39/26/25/1041392625.db2.gz MQRBSAGDAWJLLG-SIKLNZKXSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729033 1041392631 /nfs/dbraw/zinc/39/26/31/1041392631.db2.gz MQRBSAGDAWJLLG-SIKLNZKXSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCOC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513043279 1041412318 /nfs/dbraw/zinc/41/23/18/1041412318.db2.gz ZJQYBMBMGVPAQO-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513043279 1041412325 /nfs/dbraw/zinc/41/23/25/1041412325.db2.gz ZJQYBMBMGVPAQO-QUCCMNQESA-N 2 1 330.516 3.978 20 0 EHADMP C[C@H](NCc1ccc(C(F)(F)F)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000278838756 1041625358 /nfs/dbraw/zinc/62/53/58/1041625358.db2.gz QRZOIMAPXHWRNB-KBPBESRZSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278838756 1041625359 /nfs/dbraw/zinc/62/53/59/1041625359.db2.gz QRZOIMAPXHWRNB-KBPBESRZSA-N 2 1 341.421 3.843 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000278838756 1041625364 /nfs/dbraw/zinc/62/53/64/1041625364.db2.gz QRZOIMAPXHWRNB-KBPBESRZSA-N 2 1 341.421 3.843 20 0 EHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660074 1041757829 /nfs/dbraw/zinc/75/78/29/1041757829.db2.gz TWZJIOQIHQSDLZ-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660074 1041757835 /nfs/dbraw/zinc/75/78/35/1041757835.db2.gz TWZJIOQIHQSDLZ-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660074 1041757842 /nfs/dbraw/zinc/75/78/42/1041757842.db2.gz TWZJIOQIHQSDLZ-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1C(F)(F)F)C2 ZINC000660660074 1041757846 /nfs/dbraw/zinc/75/78/46/1041757846.db2.gz TWZJIOQIHQSDLZ-QGZVFWFLSA-N 2 1 342.405 3.502 20 0 EHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661691 1041759704 /nfs/dbraw/zinc/75/97/04/1041759704.db2.gz FGUBUNNHOQEXQJ-IBGZPJMESA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661691 1041759711 /nfs/dbraw/zinc/75/97/11/1041759711.db2.gz FGUBUNNHOQEXQJ-IBGZPJMESA-N 2 1 331.891 3.712 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661691 1041759718 /nfs/dbraw/zinc/75/97/18/1041759718.db2.gz FGUBUNNHOQEXQJ-IBGZPJMESA-N 2 1 331.891 3.712 20 0 EHADMP c1ccc(C[NH2+]C2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000660679632 1041768378 /nfs/dbraw/zinc/76/83/78/1041768378.db2.gz QRVGHRYGHAATGK-UHFFFAOYSA-N 2 1 331.463 3.989 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c2ccccn21 ZINC000651643500 1041827673 /nfs/dbraw/zinc/82/76/73/1041827673.db2.gz CLZDLRNIAWKKSY-SFHVURJKSA-N 2 1 340.515 3.908 20 0 EHADMP COc1cc(OC)c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000651678587 1041895749 /nfs/dbraw/zinc/89/57/49/1041895749.db2.gz VKXMXANYGXPBNO-HNNXBMFYSA-N 2 1 338.467 3.587 20 0 EHADMP Cc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048565344 1042392382 /nfs/dbraw/zinc/39/23/82/1042392382.db2.gz HDOMUYAZKHXBAC-UHFFFAOYSA-N 2 1 343.515 3.522 20 0 EHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164647828 1042427968 /nfs/dbraw/zinc/42/79/68/1042427968.db2.gz ZYRVERGYPBZASP-INIZCTEOSA-N 2 1 337.471 3.817 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662051960 1042483084 /nfs/dbraw/zinc/48/30/84/1042483084.db2.gz PDBTWXRHJPYRMZ-HNNXBMFYSA-N 2 1 342.270 3.602 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2Cc4ccccc4C2)C3)cc1 ZINC000248879209 1042529273 /nfs/dbraw/zinc/52/92/73/1042529273.db2.gz KFGDXSFJQGOPQI-NUNAXRQHSA-N 2 1 332.491 3.939 20 0 EHADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254285 1042638389 /nfs/dbraw/zinc/63/83/89/1042638389.db2.gz GVOPMWKEQUMEBW-CJNGLKHVSA-N 2 1 342.405 3.609 20 0 EHADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662291973 1042664824 /nfs/dbraw/zinc/66/48/24/1042664824.db2.gz BGPVOXIDZMNEOF-CQSZACIVSA-N 2 1 342.405 3.639 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150817680 1042667642 /nfs/dbraw/zinc/66/76/42/1042667642.db2.gz NCCURVQGJOENMK-HNNXBMFYSA-N 2 1 328.378 3.503 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150817680 1042667644 /nfs/dbraw/zinc/66/76/44/1042667644.db2.gz NCCURVQGJOENMK-HNNXBMFYSA-N 2 1 328.378 3.503 20 0 EHADMP CCc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000162323786 1042720338 /nfs/dbraw/zinc/72/03/38/1042720338.db2.gz MYEVQUGRUAVKMQ-CQSZACIVSA-N 2 1 328.460 3.568 20 0 EHADMP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000663343649 1042727878 /nfs/dbraw/zinc/72/78/78/1042727878.db2.gz ACNFQVLMBOUKNP-ZVDOUQERSA-N 2 1 327.516 3.819 20 0 EHADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347699 1042736754 /nfs/dbraw/zinc/73/67/54/1042736754.db2.gz SRMNWTHMJNGIKF-LJQANCHMSA-N 2 1 346.515 3.696 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)cs1 ZINC000278874902 1042801092 /nfs/dbraw/zinc/80/10/92/1042801092.db2.gz CBLZZHMADGKXJH-QWRGUYRKSA-N 2 1 340.290 3.620 20 0 EHADMP c1ccc(C[N@@H+]2CCO[C@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000311671157 1042804137 /nfs/dbraw/zinc/80/41/37/1042804137.db2.gz AABJEGPAKTUEPF-GOSISDBHSA-N 2 1 333.435 3.548 20 0 EHADMP c1ccc(C[N@H+]2CCO[C@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000311671157 1042804143 /nfs/dbraw/zinc/80/41/43/1042804143.db2.gz AABJEGPAKTUEPF-GOSISDBHSA-N 2 1 333.435 3.548 20 0 EHADMP Cc1cc(CO)cc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000663391984 1042804246 /nfs/dbraw/zinc/80/42/46/1042804246.db2.gz QYQXTBBJCZJOFR-INIZCTEOSA-N 2 1 339.483 3.726 20 0 EHADMP Cc1cc(CO)cc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000663391984 1042804252 /nfs/dbraw/zinc/80/42/52/1042804252.db2.gz QYQXTBBJCZJOFR-INIZCTEOSA-N 2 1 339.483 3.726 20 0 EHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)c2C1 ZINC000662705246 1042835523 /nfs/dbraw/zinc/83/55/23/1042835523.db2.gz NNTRMCHXYCSROR-FQEVSTJZSA-N 2 1 335.451 3.585 20 0 EHADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)c2C1 ZINC000662705246 1042835527 /nfs/dbraw/zinc/83/55/27/1042835527.db2.gz NNTRMCHXYCSROR-FQEVSTJZSA-N 2 1 335.451 3.585 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663465133 1042884329 /nfs/dbraw/zinc/88/43/29/1042884329.db2.gz IDQAEKWCOKAPFR-HIFRSBDPSA-N 2 1 337.895 3.516 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663465133 1042884338 /nfs/dbraw/zinc/88/43/38/1042884338.db2.gz IDQAEKWCOKAPFR-HIFRSBDPSA-N 2 1 337.895 3.516 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467606 1042894899 /nfs/dbraw/zinc/89/48/99/1042894899.db2.gz GWYRRQBPQPMOOT-SYYKKAFVSA-N 2 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663467606 1042894902 /nfs/dbraw/zinc/89/49/02/1042894902.db2.gz GWYRRQBPQPMOOT-SYYKKAFVSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467606 1042894905 /nfs/dbraw/zinc/89/49/05/1042894905.db2.gz GWYRRQBPQPMOOT-SYYKKAFVSA-N 3 1 347.591 3.741 20 0 EHADMP COc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471103 1042897411 /nfs/dbraw/zinc/89/74/11/1042897411.db2.gz WLOKEZRHKVMYRC-YLJYHZDGSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000663471103 1042897415 /nfs/dbraw/zinc/89/74/15/1042897415.db2.gz WLOKEZRHKVMYRC-YLJYHZDGSA-N 2 1 344.499 3.621 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000663471103 1042897420 /nfs/dbraw/zinc/89/74/20/1042897420.db2.gz WLOKEZRHKVMYRC-YLJYHZDGSA-N 2 1 344.499 3.621 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471816 1042902580 /nfs/dbraw/zinc/90/25/80/1042902580.db2.gz YMCMXKSBYNTTIP-WMZOPIPTSA-N 2 1 340.515 3.596 20 0 EHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000925780778 1042930670 /nfs/dbraw/zinc/93/06/70/1042930670.db2.gz GPKKPOAPNSLKLP-ZWNOBZJWSA-N 2 1 332.847 3.711 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CCN(C)C(=O)OC(C)(C)C ZINC001167841605 1043124171 /nfs/dbraw/zinc/12/41/71/1043124171.db2.gz MZCJOQLAZLUJTP-QGZVFWFLSA-N 2 1 343.556 3.686 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416648 1043128587 /nfs/dbraw/zinc/12/85/87/1043128587.db2.gz IBXODTMTAVCQBS-CVEARBPZSA-N 2 1 336.545 3.778 20 0 EHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000432416648 1043128595 /nfs/dbraw/zinc/12/85/95/1043128595.db2.gz IBXODTMTAVCQBS-CVEARBPZSA-N 2 1 336.545 3.778 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C12CCC2 ZINC000344033742 1043134642 /nfs/dbraw/zinc/13/46/42/1043134642.db2.gz MFPBRMPVZOPBBP-VQTJNVASSA-N 2 1 330.516 3.964 20 0 EHADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278990403 1043149686 /nfs/dbraw/zinc/14/96/86/1043149686.db2.gz QAADGJIABSXYDT-DLBZAZTESA-N 2 1 327.472 3.831 20 0 EHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432424583 1043163325 /nfs/dbraw/zinc/16/33/25/1043163325.db2.gz PHDUGEXESDKCQR-ICSRJNTNSA-N 2 1 346.515 3.608 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CCCO1 ZINC000432425373 1043174012 /nfs/dbraw/zinc/17/40/12/1043174012.db2.gz USHZIEUNZBDIFS-LSTHTHJFSA-N 2 1 334.479 3.552 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CCCO1 ZINC000432425373 1043174016 /nfs/dbraw/zinc/17/40/16/1043174016.db2.gz USHZIEUNZBDIFS-LSTHTHJFSA-N 2 1 334.479 3.552 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CCCO1 ZINC000432438993 1043243011 /nfs/dbraw/zinc/24/30/11/1043243011.db2.gz FCNZUQUXVGAIAV-BAGYTPMASA-N 2 1 344.543 3.878 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CCCO1 ZINC000432438993 1043243023 /nfs/dbraw/zinc/24/30/23/1043243023.db2.gz FCNZUQUXVGAIAV-BAGYTPMASA-N 2 1 344.543 3.878 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C12CCC2 ZINC000344103244 1043258507 /nfs/dbraw/zinc/25/85/07/1043258507.db2.gz VYNXYDIVUJVBQZ-VQTJNVASSA-N 2 1 330.516 3.964 20 0 EHADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc2cccnc12 ZINC000344112189 1043267977 /nfs/dbraw/zinc/26/79/77/1043267977.db2.gz KPUCLVLBBBBKTR-HDICACEKSA-N 2 1 341.499 3.522 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000344163237 1043358683 /nfs/dbraw/zinc/35/86/83/1043358683.db2.gz HGVYIIGVAKTSST-HXUWFJFHSA-N 2 1 349.538 3.920 20 0 EHADMP Cc1sc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Br ZINC000227777265 1043928993 /nfs/dbraw/zinc/92/89/93/1043928993.db2.gz CBXFKGUNTOJYOE-UHFFFAOYSA-N 2 1 331.323 3.781 20 0 EHADMP Cc1cc(C(F)(F)F)cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000663745690 1043942475 /nfs/dbraw/zinc/94/24/75/1043942475.db2.gz FQECTENCVCKWCZ-CQSZACIVSA-N 2 1 327.394 3.577 20 0 EHADMP CCOc1cccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000348970130 1044482950 /nfs/dbraw/zinc/48/29/50/1044482950.db2.gz VHQBEYZJDMJGCZ-UHFFFAOYSA-N 2 1 327.472 3.564 20 0 EHADMP c1cc(C[N@H+](CCc2ccccc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432672842 1044705154 /nfs/dbraw/zinc/70/51/54/1044705154.db2.gz UXRQEPJSIUKMFM-IBGZPJMESA-N 2 1 326.509 3.935 20 0 EHADMP c1cc(C[N@H+](CCc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432672846 1044705518 /nfs/dbraw/zinc/70/55/18/1044705518.db2.gz UXRQEPJSIUKMFM-LJQANCHMSA-N 2 1 326.509 3.935 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000414179567 1125598724 /nfs/dbraw/zinc/59/87/24/1125598724.db2.gz KVXKKSVXFCUGAF-ZVDOUQERSA-N 2 1 336.479 3.588 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000414179567 1125598726 /nfs/dbraw/zinc/59/87/26/1125598726.db2.gz KVXKKSVXFCUGAF-ZVDOUQERSA-N 2 1 336.479 3.588 20 0 EHADMP C[NH+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000072713421 1126864975 /nfs/dbraw/zinc/86/49/75/1126864975.db2.gz YLMWJARHELLKJQ-UHFFFAOYSA-N 2 1 340.496 3.642 20 0 EHADMP C[N@H+]1CC[C@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC1(C)C ZINC000623497116 1126970960 /nfs/dbraw/zinc/97/09/60/1126970960.db2.gz XYNKHALDDYILOE-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC000623497116 1126970965 /nfs/dbraw/zinc/97/09/65/1126970965.db2.gz XYNKHALDDYILOE-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CC[C@H](NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1(C)C ZINC000623497116 1126970968 /nfs/dbraw/zinc/97/09/68/1126970968.db2.gz XYNKHALDDYILOE-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497116 1126970971 /nfs/dbraw/zinc/97/09/71/1126970971.db2.gz XYNKHALDDYILOE-PZJWPPBQSA-N 2 1 329.532 3.504 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000623575263 1126989525 /nfs/dbraw/zinc/98/95/25/1126989525.db2.gz RVXNXPJMSCPKMM-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000623575263 1126989529 /nfs/dbraw/zinc/98/95/29/1126989529.db2.gz RVXNXPJMSCPKMM-ZDUSSCGKSA-N 2 1 332.435 3.979 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656752 1127007063 /nfs/dbraw/zinc/00/70/63/1127007063.db2.gz AXKGOZHXCAQCMM-IBGZPJMESA-N 2 1 338.499 3.671 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656752 1127007065 /nfs/dbraw/zinc/00/70/65/1127007065.db2.gz AXKGOZHXCAQCMM-IBGZPJMESA-N 2 1 338.499 3.671 20 0 EHADMP CC[N@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180099980 1127121005 /nfs/dbraw/zinc/12/10/05/1127121005.db2.gz GAGORSASNAMORB-FQEVSTJZSA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180099980 1127121006 /nfs/dbraw/zinc/12/10/06/1127121006.db2.gz GAGORSASNAMORB-FQEVSTJZSA-N 2 1 348.494 3.907 20 0 EHADMP CC[NH+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180099980 1127121007 /nfs/dbraw/zinc/12/10/07/1127121007.db2.gz GAGORSASNAMORB-FQEVSTJZSA-N 2 1 348.494 3.907 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867264 1127206279 /nfs/dbraw/zinc/20/62/79/1127206279.db2.gz VVDRQAORBWECAE-RYUDHWBXSA-N 2 1 349.828 3.616 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623949439 1127218339 /nfs/dbraw/zinc/21/83/39/1127218339.db2.gz RSOHHCLCHBRJEG-KRWDZBQOSA-N 2 1 333.520 3.692 20 0 EHADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182452328 1127330520 /nfs/dbraw/zinc/33/05/20/1127330520.db2.gz JKBORWIMKAFGGI-BEFAXECRSA-N 2 1 340.458 3.754 20 0 EHADMP C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000184509730 1127407312 /nfs/dbraw/zinc/40/73/12/1127407312.db2.gz MOQDHGBQUCWKME-RBUKOAKNSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@H]1[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000368490091 1127416300 /nfs/dbraw/zinc/41/63/00/1127416300.db2.gz KGESBSWRIQVOOV-FXAWDEMLSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000368490091 1127416302 /nfs/dbraw/zinc/41/63/02/1127416302.db2.gz KGESBSWRIQVOOV-FXAWDEMLSA-N 2 1 329.532 3.502 20 0 EHADMP COc1cccc(CCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185682141 1127430425 /nfs/dbraw/zinc/43/04/25/1127430425.db2.gz FZWDFMYLLVBDRL-IEBWSBKVSA-N 2 1 330.516 3.870 20 0 EHADMP C[C@@H]([NH2+]CCOc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758587 1127431549 /nfs/dbraw/zinc/43/15/49/1127431549.db2.gz AXWLTOBXJTWAHA-HZPDHXFCSA-N 2 1 336.907 3.961 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000417354894 1127447637 /nfs/dbraw/zinc/44/76/37/1127447637.db2.gz ABVSVLLFGAMHBV-PCCBWWKXSA-N 2 1 330.516 3.743 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000417354894 1127447640 /nfs/dbraw/zinc/44/76/40/1127447640.db2.gz ABVSVLLFGAMHBV-PCCBWWKXSA-N 2 1 330.516 3.743 20 0 EHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000382400061 1127508625 /nfs/dbraw/zinc/50/86/25/1127508625.db2.gz XHNNPLJGLDEEEG-CYBMUJFWSA-N 2 1 343.334 3.962 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382410716 1127508805 /nfs/dbraw/zinc/50/88/05/1127508805.db2.gz FXQSKSDUYDCVGH-YTQUADARSA-N 2 1 330.516 3.833 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000382828798 1127522842 /nfs/dbraw/zinc/52/28/42/1127522842.db2.gz AOIYZZCHUZLPNU-GCJKJVERSA-N 2 1 338.495 3.738 20 0 EHADMP COc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386072657 1127625383 /nfs/dbraw/zinc/62/53/83/1127625383.db2.gz GHHVIEOJSOUIBM-TZIWHRDSSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386072657 1127625385 /nfs/dbraw/zinc/62/53/85/1127625385.db2.gz GHHVIEOJSOUIBM-TZIWHRDSSA-N 2 1 336.479 3.649 20 0 EHADMP COc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386072657 1127625386 /nfs/dbraw/zinc/62/53/86/1127625386.db2.gz GHHVIEOJSOUIBM-TZIWHRDSSA-N 2 1 336.479 3.649 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921529317 1127672763 /nfs/dbraw/zinc/67/27/63/1127672763.db2.gz ZZYJSYRNLXOISW-UHFFFAOYSA-N 2 1 326.488 3.738 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921547354 1127724877 /nfs/dbraw/zinc/72/48/77/1127724877.db2.gz PGWITKCTACAAQZ-CZTZKLFOSA-N 2 1 342.527 3.754 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2C2CCC2)c1 ZINC000921607314 1127760559 /nfs/dbraw/zinc/76/05/59/1127760559.db2.gz OAFAIXDEONAAFX-UHFFFAOYSA-N 2 1 326.488 3.738 20 0 EHADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C2CCCC2)n1 ZINC000921621178 1127862265 /nfs/dbraw/zinc/86/22/65/1127862265.db2.gz LPJOGJHPOFHCSU-UHFFFAOYSA-N 2 1 344.547 3.822 20 0 EHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000282196192 1128058996 /nfs/dbraw/zinc/05/89/96/1128058996.db2.gz GNRHLEPJXNXYFS-OAHLLOKOSA-N 2 1 331.529 3.578 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168584872 1128104517 /nfs/dbraw/zinc/10/45/17/1128104517.db2.gz OHQBDZYANYVESD-QUCCMNQESA-N 2 1 334.504 3.627 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168584872 1128104519 /nfs/dbraw/zinc/10/45/19/1128104519.db2.gz OHQBDZYANYVESD-QUCCMNQESA-N 2 1 334.504 3.627 20 0 EHADMP CCC[N@@H+](C)[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764420 1128252665 /nfs/dbraw/zinc/25/26/65/1128252665.db2.gz DMYVVSZRXAFOKG-SLFFLAALSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764420 1128252667 /nfs/dbraw/zinc/25/26/67/1128252667.db2.gz DMYVVSZRXAFOKG-SLFFLAALSA-N 2 1 349.950 3.939 20 0 EHADMP CCC[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764420 1128252668 /nfs/dbraw/zinc/25/26/68/1128252668.db2.gz DMYVVSZRXAFOKG-SLFFLAALSA-N 2 1 349.950 3.939 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc1 ZINC001168596310 1128238858 /nfs/dbraw/zinc/23/88/58/1128238858.db2.gz JBYUSGPBWMQFJC-WDSOQIARSA-N 2 1 330.520 3.741 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765792163 1128369338 /nfs/dbraw/zinc/36/93/38/1128369338.db2.gz OMFSXTKKZCIFPE-RLFYNMQTSA-N 2 1 342.508 3.732 20 0 EHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765792163 1128369340 /nfs/dbraw/zinc/36/93/40/1128369340.db2.gz OMFSXTKKZCIFPE-RLFYNMQTSA-N 2 1 342.508 3.732 20 0 EHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1 ZINC000089722553 1128431167 /nfs/dbraw/zinc/43/11/67/1128431167.db2.gz CNJOXWKDJYFCHK-LJQANCHMSA-N 2 1 338.495 3.751 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000655845428 1128499175 /nfs/dbraw/zinc/49/91/75/1128499175.db2.gz FWNDEOLOUTVNNE-HUUCEWRRSA-N 2 1 340.389 3.791 20 0 EHADMP FC(F)(F)Oc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000655845428 1128499177 /nfs/dbraw/zinc/49/91/77/1128499177.db2.gz FWNDEOLOUTVNNE-HUUCEWRRSA-N 2 1 340.389 3.791 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000921776185 1128751492 /nfs/dbraw/zinc/75/14/92/1128751492.db2.gz MQETZCABGUZKME-VBEQINLCSA-N 2 1 348.556 3.926 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000921776185 1128751495 /nfs/dbraw/zinc/75/14/95/1128751495.db2.gz MQETZCABGUZKME-VBEQINLCSA-N 2 1 348.556 3.926 20 0 EHADMP CSCc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000921810800 1128781437 /nfs/dbraw/zinc/78/14/37/1128781437.db2.gz VTUYYBNSYQRZFU-UHFFFAOYSA-N 2 1 336.545 3.529 20 0 EHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168673946 1128781445 /nfs/dbraw/zinc/78/14/45/1128781445.db2.gz UHALHQMBVIGYEX-QUCCMNQESA-N 2 1 334.504 3.579 20 0 EHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000656251969 1128839071 /nfs/dbraw/zinc/83/90/71/1128839071.db2.gz RNURTRMBXRROKE-UHFFFAOYSA-N 2 1 346.906 3.608 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000109068621 1120019203 /nfs/dbraw/zinc/01/92/03/1120019203.db2.gz AFGXKXBAGBJWPS-INIZCTEOSA-N 2 1 340.515 3.559 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)CC2)[nH+]c1 ZINC000185230120 1120405370 /nfs/dbraw/zinc/40/53/70/1120405370.db2.gz YVUXYQTZFFOPMG-ROUUACIJSA-N 2 1 331.504 3.541 20 0 EHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnn1-c1ccccc1 ZINC000467358337 1120551960 /nfs/dbraw/zinc/55/19/60/1120551960.db2.gz JHXLISINBJABHC-QGZVFWFLSA-N 2 1 326.488 3.645 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223025333 1120626595 /nfs/dbraw/zinc/62/65/95/1120626595.db2.gz KTNNNQRMZJYOBD-MRXNPFEDSA-N 2 1 325.294 3.756 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494607639 1120686087 /nfs/dbraw/zinc/68/60/87/1120686087.db2.gz FZAXVFMTDMCEQU-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cncc(F)c2)C1 ZINC000494607639 1120686092 /nfs/dbraw/zinc/68/60/92/1120686092.db2.gz FZAXVFMTDMCEQU-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192926858 1120753433 /nfs/dbraw/zinc/75/34/33/1120753433.db2.gz RLYMBDYVDZIQHP-GOSISDBHSA-N 2 1 343.540 3.953 20 0 EHADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192926858 1120753437 /nfs/dbraw/zinc/75/34/37/1120753437.db2.gz RLYMBDYVDZIQHP-GOSISDBHSA-N 2 1 343.540 3.953 20 0 EHADMP Cc1ccccc1[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000494901450 1120897918 /nfs/dbraw/zinc/89/79/18/1120897918.db2.gz MTEZZPCIACMVBT-NRFANRHFSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccc3cc(Br)ccc3c2)C[C@H]1C[NH3+] ZINC001205140960 1121377347 /nfs/dbraw/zinc/37/73/47/1121377347.db2.gz VANWSFXPPKNJSA-BLLLJJGKSA-N 2 1 333.273 3.629 20 0 EHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000397344083 1121711001 /nfs/dbraw/zinc/71/10/01/1121711001.db2.gz XCITZSZAJPQDPE-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000397344083 1121711007 /nfs/dbraw/zinc/71/10/07/1121711007.db2.gz XCITZSZAJPQDPE-IPYPFGDCSA-N 2 1 333.863 3.800 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000282127249 1121859093 /nfs/dbraw/zinc/85/90/93/1121859093.db2.gz JWVOQTXWZDTRAZ-FUHWJXTLSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000282127249 1121859103 /nfs/dbraw/zinc/85/91/03/1121859103.db2.gz JWVOQTXWZDTRAZ-FUHWJXTLSA-N 2 1 340.515 3.954 20 0 EHADMP Fc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1F ZINC000282135197 1122064000 /nfs/dbraw/zinc/06/40/00/1122064000.db2.gz RPTRVAVXUWQABF-HNNXBMFYSA-N 2 1 331.410 3.877 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124858796 1122297989 /nfs/dbraw/zinc/29/79/89/1122297989.db2.gz OJLQLIMVLLFHIV-SJORKVTESA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124858796 1122297994 /nfs/dbraw/zinc/29/79/94/1122297994.db2.gz OJLQLIMVLLFHIV-SJORKVTESA-N 2 1 335.923 3.503 20 0 EHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125859331 1122349566 /nfs/dbraw/zinc/34/95/66/1122349566.db2.gz YOVHVGRZYHJLMG-IEBWSBKVSA-N 2 1 340.515 3.952 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@@H]1c1ccccc1 ZINC000556093519 1122809743 /nfs/dbraw/zinc/80/97/43/1122809743.db2.gz KHLSHUDVVWSZFX-NHCUHLMSSA-N 2 1 336.479 3.589 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@@H]1c1ccccc1 ZINC000556093519 1122809751 /nfs/dbraw/zinc/80/97/51/1122809751.db2.gz KHLSHUDVVWSZFX-NHCUHLMSSA-N 2 1 336.479 3.589 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000498349970 1122880064 /nfs/dbraw/zinc/88/00/64/1122880064.db2.gz NNTKRHKKOUPWBM-FGZHOGPDSA-N 2 1 343.559 3.720 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000556236875 1122889903 /nfs/dbraw/zinc/88/99/03/1122889903.db2.gz WGNKCAYZMKIDRU-UHFFFAOYSA-N 3 1 343.559 3.895 20 0 EHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000556236875 1122889909 /nfs/dbraw/zinc/88/99/09/1122889909.db2.gz WGNKCAYZMKIDRU-UHFFFAOYSA-N 2 1 343.559 3.895 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000556236875 1122889913 /nfs/dbraw/zinc/88/99/13/1122889913.db2.gz WGNKCAYZMKIDRU-UHFFFAOYSA-N 2 1 343.559 3.895 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000130361953 1122945388 /nfs/dbraw/zinc/94/53/88/1122945388.db2.gz RRRURRBVPYNXFI-UHFFFAOYSA-N 2 1 341.377 3.611 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccccc1C(F)(F)F ZINC000130361953 1122945391 /nfs/dbraw/zinc/94/53/91/1122945391.db2.gz RRRURRBVPYNXFI-UHFFFAOYSA-N 2 1 341.377 3.611 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000556863224 1123152636 /nfs/dbraw/zinc/15/26/36/1123152636.db2.gz XMQOTIWDWYDIGL-JYJNAYRXSA-N 2 1 341.268 3.551 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000557010271 1123264939 /nfs/dbraw/zinc/26/49/39/1123264939.db2.gz WQDDNXFCWOKLAQ-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000557010271 1123264943 /nfs/dbraw/zinc/26/49/43/1123264943.db2.gz WQDDNXFCWOKLAQ-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000557010271 1123264944 /nfs/dbraw/zinc/26/49/44/1123264944.db2.gz WQDDNXFCWOKLAQ-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000557010271 1123264947 /nfs/dbraw/zinc/26/49/47/1123264947.db2.gz WQDDNXFCWOKLAQ-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000557010271 1123264949 /nfs/dbraw/zinc/26/49/49/1123264949.db2.gz WQDDNXFCWOKLAQ-VQTJNVASSA-N 2 1 330.516 3.646 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000077249647 1123541643 /nfs/dbraw/zinc/54/16/43/1123541643.db2.gz HHVPQBFGCCRPNI-UHFFFAOYSA-N 2 1 330.394 3.544 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000077249647 1123541646 /nfs/dbraw/zinc/54/16/46/1123541646.db2.gz HHVPQBFGCCRPNI-UHFFFAOYSA-N 2 1 330.394 3.544 20 0 EHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000245420180 1123821997 /nfs/dbraw/zinc/82/19/97/1123821997.db2.gz BYHMTHWKXXONMU-IAGOWNOFSA-N 2 1 334.504 3.867 20 0 EHADMP CC[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC1 ZINC000245712853 1123934097 /nfs/dbraw/zinc/93/40/97/1123934097.db2.gz NMVVNMFVENZOTI-YSFYHYPLSA-N 2 1 341.543 3.646 20 0 EHADMP COC[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000246089457 1124017522 /nfs/dbraw/zinc/01/75/22/1124017522.db2.gz WLOQRTORWMNDOL-KBXCAEBGSA-N 2 1 326.431 3.506 20 0 EHADMP Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001236608049 1124576910 /nfs/dbraw/zinc/57/69/10/1124576910.db2.gz NLLRSBQGIHDEQK-UHFFFAOYSA-N 2 1 328.287 3.615 20 0 EHADMP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001236608049 1124576916 /nfs/dbraw/zinc/57/69/16/1124576916.db2.gz NLLRSBQGIHDEQK-UHFFFAOYSA-N 2 1 328.287 3.615 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000247060826 1124584125 /nfs/dbraw/zinc/58/41/25/1124584125.db2.gz NUJFACNAQJOYGN-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000247060826 1124584128 /nfs/dbraw/zinc/58/41/28/1124584128.db2.gz NUJFACNAQJOYGN-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP COCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248001331 1124634240 /nfs/dbraw/zinc/63/42/40/1124634240.db2.gz KLDAGBVGJCSDNT-LEWJYISDSA-N 2 1 330.516 3.790 20 0 EHADMP COCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248001331 1124634244 /nfs/dbraw/zinc/63/42/44/1124634244.db2.gz KLDAGBVGJCSDNT-LEWJYISDSA-N 2 1 330.516 3.790 20 0 EHADMP c1cc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000248676221 1124687180 /nfs/dbraw/zinc/68/71/80/1124687180.db2.gz YSQGHUJJTJKZAO-PZJWPPBQSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000248676221 1124687185 /nfs/dbraw/zinc/68/71/85/1124687185.db2.gz YSQGHUJJTJKZAO-PZJWPPBQSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000248676221 1124687189 /nfs/dbraw/zinc/68/71/89/1124687189.db2.gz YSQGHUJJTJKZAO-PZJWPPBQSA-N 2 1 340.511 3.503 20 0 EHADMP c1cc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000248676221 1124687194 /nfs/dbraw/zinc/68/71/94/1124687194.db2.gz YSQGHUJJTJKZAO-PZJWPPBQSA-N 2 1 340.511 3.503 20 0 EHADMP c1ccc(CSCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000248777356 1124699068 /nfs/dbraw/zinc/69/90/68/1124699068.db2.gz UNGJOFKYAYZJBX-ICSRJNTNSA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000248777356 1124699080 /nfs/dbraw/zinc/69/90/80/1124699080.db2.gz UNGJOFKYAYZJBX-ICSRJNTNSA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000248777356 1124699084 /nfs/dbraw/zinc/69/90/84/1124699084.db2.gz UNGJOFKYAYZJBX-ICSRJNTNSA-N 2 1 330.541 3.869 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000249204327 1124746436 /nfs/dbraw/zinc/74/64/36/1124746436.db2.gz ARSCURBIIHEWPM-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594124 1124823134 /nfs/dbraw/zinc/82/31/34/1124823134.db2.gz BDHWGZSPZUPCJZ-SFHVURJKSA-N 2 1 348.506 3.772 20 0 EHADMP Fc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000449143788 1124951224 /nfs/dbraw/zinc/95/12/24/1124951224.db2.gz RGUHRJUOUKHOJK-UHFFFAOYSA-N 2 1 327.447 3.887 20 0 EHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000543089719 1129207255 /nfs/dbraw/zinc/20/72/55/1129207255.db2.gz GTDPNCQKNWYZPB-OAQYLSRUSA-N 2 1 348.506 3.627 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC23CC3)cc1 ZINC000922696629 1129629841 /nfs/dbraw/zinc/62/98/41/1129629841.db2.gz NFNUCCLUEGUPGL-NJDAHSKKSA-N 2 1 340.511 3.732 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@]34CCC[C@H]3OCC4)CC23CC3)cc1 ZINC000922696629 1129629844 /nfs/dbraw/zinc/62/98/44/1129629844.db2.gz NFNUCCLUEGUPGL-NJDAHSKKSA-N 2 1 340.511 3.732 20 0 EHADMP Cn1cncc1CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000347732012 1129663717 /nfs/dbraw/zinc/66/37/17/1129663717.db2.gz DCFAVAZCSHFERB-MRXNPFEDSA-N 2 1 334.261 3.562 20 0 EHADMP Cc1ccncc1C[NH+](C)CCCCC[N@H+](C)Cc1cnccc1C ZINC000361415132 1129721596 /nfs/dbraw/zinc/72/15/96/1129721596.db2.gz YDHDXBMGVGIUGN-UHFFFAOYSA-N 2 1 340.515 3.828 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000171304834 1130044215 /nfs/dbraw/zinc/04/42/15/1130044215.db2.gz QFNAYPVGAPUETC-QFDSWDFVSA-N 2 1 328.500 3.521 20 0 EHADMP C[C@@H]1C[C@H](NCc2n[nH]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335834 1130067392 /nfs/dbraw/zinc/06/73/92/1130067392.db2.gz RRWTWPNDRUSLGJ-SJLPKXTDSA-N 2 1 334.467 3.706 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)c1 ZINC000674879612 1130215005 /nfs/dbraw/zinc/21/50/05/1130215005.db2.gz HJAPROGSCDZPJK-OAQYLSRUSA-N 2 1 337.511 3.895 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000766132558 1130382114 /nfs/dbraw/zinc/38/21/14/1130382114.db2.gz BHSNRURTWCVHBZ-NEWSRXKRSA-N 2 1 344.524 3.814 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000766132558 1130382118 /nfs/dbraw/zinc/38/21/18/1130382118.db2.gz BHSNRURTWCVHBZ-NEWSRXKRSA-N 2 1 344.524 3.814 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000675728935 1130464226 /nfs/dbraw/zinc/46/42/26/1130464226.db2.gz JANXIUBCDIKQKQ-MRXNPFEDSA-N 2 1 344.499 3.906 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000675780209 1130470947 /nfs/dbraw/zinc/47/09/47/1130470947.db2.gz NYLASUCXLRIFJR-KRWDZBQOSA-N 2 1 346.478 3.847 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000675879267 1130500507 /nfs/dbraw/zinc/50/05/07/1130500507.db2.gz JRKQQYZCUNAIMR-CQSZACIVSA-N 2 1 342.487 3.716 20 0 EHADMP COc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000675925769 1130503604 /nfs/dbraw/zinc/50/36/04/1130503604.db2.gz BWNVHNPCFQMZNH-LJQANCHMSA-N 2 1 344.499 3.906 20 0 EHADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000676313507 1130563986 /nfs/dbraw/zinc/56/39/86/1130563986.db2.gz ARVHJAIIBAWVJW-QFIPXVFZSA-N 2 1 341.543 3.556 20 0 EHADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000676313507 1130563989 /nfs/dbraw/zinc/56/39/89/1130563989.db2.gz ARVHJAIIBAWVJW-QFIPXVFZSA-N 2 1 341.543 3.556 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1)c1ccccc1 ZINC000166661547 1130595229 /nfs/dbraw/zinc/59/52/29/1130595229.db2.gz KPSNUUBJHIWLKZ-CEWLAPEOSA-N 2 1 341.543 3.866 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OCC2CC2)c(F)c1 ZINC000166843946 1130602308 /nfs/dbraw/zinc/60/23/08/1130602308.db2.gz CYBVIOLPGQKQHP-BMGDILEWSA-N 2 1 332.463 3.892 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000348067025 1131147771 /nfs/dbraw/zinc/14/77/71/1131147771.db2.gz CSUHWFXOAMRVSI-IERDGZPVSA-N 2 1 335.451 3.955 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000738067773 1131459137 /nfs/dbraw/zinc/45/91/37/1131459137.db2.gz RDXJIGLQZYOZMP-UHFFFAOYSA-N 2 1 340.515 3.952 20 0 EHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](CC)CC(C)C)CC2)C1 ZINC001172394883 1131731369 /nfs/dbraw/zinc/73/13/69/1131731369.db2.gz AARBDECLIPPKHS-MSOLQXFVSA-N 2 1 338.536 3.551 20 0 EHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](CC)CC(C)C)CC2)C1 ZINC001172394883 1131731375 /nfs/dbraw/zinc/73/13/75/1131731375.db2.gz AARBDECLIPPKHS-MSOLQXFVSA-N 2 1 338.536 3.551 20 0 EHADMP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206174782 1131822561 /nfs/dbraw/zinc/82/25/61/1131822561.db2.gz PLROGPQXWYLSML-RTBURBONSA-N 2 1 328.431 3.623 20 0 EHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206174782 1131822570 /nfs/dbraw/zinc/82/25/70/1131822570.db2.gz PLROGPQXWYLSML-RTBURBONSA-N 2 1 328.431 3.623 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001172941592 1131912840 /nfs/dbraw/zinc/91/28/40/1131912840.db2.gz XOVZZHVDLHDSQK-NLWGTHIKSA-N 2 1 346.515 3.914 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949448 1131927100 /nfs/dbraw/zinc/92/71/00/1131927100.db2.gz KCISYLDKIIVGDL-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001172949448 1131927108 /nfs/dbraw/zinc/92/71/08/1131927108.db2.gz KCISYLDKIIVGDL-WOJBJXKFSA-N 2 1 334.479 3.680 20 0 EHADMP CCCOC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173086937 1131964179 /nfs/dbraw/zinc/96/41/79/1131964179.db2.gz XHGSWNFGCSZHEA-UHFFFAOYSA-N 2 1 330.516 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN3CCc4ccccc4[C@@H]3C2)CC1 ZINC001173112970 1131970238 /nfs/dbraw/zinc/97/02/38/1131970238.db2.gz FUTHHOMSHOYBSG-AOMIVXANSA-N 2 1 341.543 3.554 20 0 EHADMP CCCc1noc([C@@H]2CCC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)n1 ZINC001173112460 1131970659 /nfs/dbraw/zinc/97/06/59/1131970659.db2.gz BJJNSGVICIJYKK-WWDZGPRUSA-N 2 1 348.535 3.855 20 0 EHADMP Cc1ccccc1OCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743873239 1131997254 /nfs/dbraw/zinc/99/72/54/1131997254.db2.gz KXUAXZPEFLBRID-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccccc1OCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743873239 1131997262 /nfs/dbraw/zinc/99/72/62/1131997262.db2.gz KXUAXZPEFLBRID-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP Cc1ccccc1OCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743873239 1131997270 /nfs/dbraw/zinc/99/72/70/1131997270.db2.gz KXUAXZPEFLBRID-OAQYLSRUSA-N 2 1 338.495 3.828 20 0 EHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCC[N@@H+](C)CCO ZINC001173214874 1132001091 /nfs/dbraw/zinc/00/10/91/1132001091.db2.gz MSFXNHMDXZKCTM-LJQANCHMSA-N 2 1 340.511 3.501 20 0 EHADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001173306148 1132035524 /nfs/dbraw/zinc/03/55/24/1132035524.db2.gz MDLLPCIQVQUOQL-QGZVKYPTSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306148 1132035531 /nfs/dbraw/zinc/03/55/31/1132035531.db2.gz MDLLPCIQVQUOQL-QGZVKYPTSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306148 1132035535 /nfs/dbraw/zinc/03/55/35/1132035535.db2.gz MDLLPCIQVQUOQL-QGZVKYPTSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306148 1132035543 /nfs/dbraw/zinc/03/55/43/1132035543.db2.gz MDLLPCIQVQUOQL-QGZVKYPTSA-N 2 1 347.572 3.756 20 0 EHADMP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173306148 1132035549 /nfs/dbraw/zinc/03/55/49/1132035549.db2.gz MDLLPCIQVQUOQL-QGZVKYPTSA-N 2 1 347.572 3.756 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702318 1132129408 /nfs/dbraw/zinc/12/94/08/1132129408.db2.gz KYFDHTWSBYHLGD-UTKZUKDTSA-N 2 1 338.495 3.650 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756165 1132418060 /nfs/dbraw/zinc/41/80/60/1132418060.db2.gz JIWUCQOHMZEKRD-DOTOQJQBSA-N 2 1 338.499 3.681 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756165 1132418064 /nfs/dbraw/zinc/41/80/64/1132418064.db2.gz JIWUCQOHMZEKRD-DOTOQJQBSA-N 2 1 338.499 3.681 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382344 1132504308 /nfs/dbraw/zinc/50/43/08/1132504308.db2.gz LLHFRNQWQQWPMM-KRWDZBQOSA-N 2 1 341.524 3.992 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382344 1132504317 /nfs/dbraw/zinc/50/43/17/1132504317.db2.gz LLHFRNQWQQWPMM-KRWDZBQOSA-N 2 1 341.524 3.992 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382344 1132504321 /nfs/dbraw/zinc/50/43/21/1132504321.db2.gz LLHFRNQWQQWPMM-KRWDZBQOSA-N 2 1 341.524 3.992 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000766457651 1132546856 /nfs/dbraw/zinc/54/68/56/1132546856.db2.gz NQPUPPKJTWFLHN-KRWDZBQOSA-N 2 1 338.499 3.930 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119047 1132663439 /nfs/dbraw/zinc/66/34/39/1132663439.db2.gz PKPCMPPFNSOYBH-BMQTXXJKSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CCOCC1)c1ccccc1F)C2 ZINC001169119047 1132663445 /nfs/dbraw/zinc/66/34/45/1132663445.db2.gz PKPCMPPFNSOYBH-BMQTXXJKSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118323 1132663467 /nfs/dbraw/zinc/66/34/67/1132663467.db2.gz HJAJZMIYDQENRI-PLACYPQZSA-N 2 1 346.490 3.898 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124733 1132665228 /nfs/dbraw/zinc/66/52/28/1132665228.db2.gz OQBWMEXCKDUCMQ-HKUYNNGSSA-N 2 1 338.499 3.615 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CCOCC1)c1cccc(F)c1)C2 ZINC001169109570 1132671548 /nfs/dbraw/zinc/67/15/48/1132671548.db2.gz DLXDDRMHHCMBCW-WOZUAGRISA-N 2 1 346.490 3.898 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141392 1132673799 /nfs/dbraw/zinc/67/37/99/1132673799.db2.gz QHPHUKNPZPXMNB-IYWMVGAKSA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141392 1132673804 /nfs/dbraw/zinc/67/38/04/1132673804.db2.gz QHPHUKNPZPXMNB-IYWMVGAKSA-N 2 1 348.918 3.946 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141392 1132673810 /nfs/dbraw/zinc/67/38/10/1132673810.db2.gz QHPHUKNPZPXMNB-IYWMVGAKSA-N 2 1 348.918 3.946 20 0 EHADMP COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001169152043 1132678536 /nfs/dbraw/zinc/67/85/36/1132678536.db2.gz JJEGQHVRWLJAPJ-FQEVSTJZSA-N 2 1 344.499 3.590 20 0 EHADMP COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001169152043 1132678539 /nfs/dbraw/zinc/67/85/39/1132678539.db2.gz JJEGQHVRWLJAPJ-FQEVSTJZSA-N 2 1 344.499 3.590 20 0 EHADMP COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001169156442 1132680573 /nfs/dbraw/zinc/68/05/73/1132680573.db2.gz YIULAWMKTUBSNE-VNTMZGSJSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001169156442 1132680576 /nfs/dbraw/zinc/68/05/76/1132680576.db2.gz YIULAWMKTUBSNE-VNTMZGSJSA-N 2 1 328.500 3.575 20 0 EHADMP COc1ccc(C[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001169156442 1132680580 /nfs/dbraw/zinc/68/05/80/1132680580.db2.gz YIULAWMKTUBSNE-VNTMZGSJSA-N 2 1 328.500 3.575 20 0 EHADMP C[C@@H]1OC2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160802 1132683437 /nfs/dbraw/zinc/68/34/37/1132683437.db2.gz LKJYLVCRYDSWFH-FJIDUMEYSA-N 2 1 326.484 3.694 20 0 EHADMP CC[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2Cl)N(C)C)CC1 ZINC001169232778 1132703798 /nfs/dbraw/zinc/70/37/98/1132703798.db2.gz BDDPBMRCLFUUAC-QGZVFWFLSA-N 2 1 344.330 3.670 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206005554 1132708798 /nfs/dbraw/zinc/70/87/98/1132708798.db2.gz YQGRJOAQSCYZSY-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206005554 1132708806 /nfs/dbraw/zinc/70/88/06/1132708806.db2.gz YQGRJOAQSCYZSY-GHMZBOCLSA-N 2 1 347.247 3.534 20 0 EHADMP CC[N@@H+](C)C1CC[NH+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169307075 1132726320 /nfs/dbraw/zinc/72/63/20/1132726320.db2.gz IPWQEBBFZYUYOI-UHFFFAOYSA-N 2 1 344.499 3.571 20 0 EHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)CCO1 ZINC001177454641 1133064117 /nfs/dbraw/zinc/06/41/17/1133064117.db2.gz UXFYMLPYLJVNMN-LFIXQJEJSA-N 2 1 336.479 3.710 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)CCO1 ZINC001177454641 1133064122 /nfs/dbraw/zinc/06/41/22/1133064122.db2.gz UXFYMLPYLJVNMN-LFIXQJEJSA-N 2 1 336.479 3.710 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC001177795763 1133103661 /nfs/dbraw/zinc/10/36/61/1133103661.db2.gz XVNYLJVDGCTHCV-CQSZACIVSA-N 2 1 334.410 3.873 20 0 EHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1F ZINC001206319134 1133139563 /nfs/dbraw/zinc/13/95/63/1133139563.db2.gz XZSHHJMRINRNAD-INIZCTEOSA-N 2 1 343.284 3.848 20 0 EHADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC001178457860 1133170053 /nfs/dbraw/zinc/17/00/53/1133170053.db2.gz FJGHKLNUMHZNJO-SJLPKXTDSA-N 2 1 344.499 3.524 20 0 EHADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585581 1133179804 /nfs/dbraw/zinc/17/98/04/1133179804.db2.gz XPZMAOYWEKDNGQ-MJGOQNOKSA-N 2 1 328.500 3.939 20 0 EHADMP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(OC(F)F)cc1C ZINC001179081482 1133226714 /nfs/dbraw/zinc/22/67/14/1133226714.db2.gz JJXLPAJYHUAMMM-UHFFFAOYSA-N 2 1 328.447 3.972 20 0 EHADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)c(OC(F)F)cc1C ZINC001179081482 1133226718 /nfs/dbraw/zinc/22/67/18/1133226718.db2.gz JJXLPAJYHUAMMM-UHFFFAOYSA-N 2 1 328.447 3.972 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000769487353 1133290494 /nfs/dbraw/zinc/29/04/94/1133290494.db2.gz VVSCYBSTWDAIOT-QUCCMNQESA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000769487353 1133290500 /nfs/dbraw/zinc/29/05/00/1133290500.db2.gz VVSCYBSTWDAIOT-QUCCMNQESA-N 2 1 329.532 3.839 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)[C@H](C)C1 ZINC000769487353 1133290504 /nfs/dbraw/zinc/29/05/04/1133290504.db2.gz VVSCYBSTWDAIOT-QUCCMNQESA-N 2 1 329.532 3.839 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919403 1133307039 /nfs/dbraw/zinc/30/70/39/1133307039.db2.gz LMJNURZABIUFAK-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919403 1133307045 /nfs/dbraw/zinc/30/70/45/1133307045.db2.gz LMJNURZABIUFAK-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919403 1133307049 /nfs/dbraw/zinc/30/70/49/1133307049.db2.gz LMJNURZABIUFAK-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919403 1133307052 /nfs/dbraw/zinc/30/70/52/1133307052.db2.gz LMJNURZABIUFAK-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC001179919403 1133307055 /nfs/dbraw/zinc/30/70/55/1133307055.db2.gz LMJNURZABIUFAK-IAGOWNOFSA-N 2 1 326.406 3.708 20 0 EHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC001180363680 1133366486 /nfs/dbraw/zinc/36/64/86/1133366486.db2.gz CSEOKQFSVDOYET-INIZCTEOSA-N 2 1 329.513 3.818 20 0 EHADMP CC1CCC(Oc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccn2)CC1 ZINC000774185477 1133637178 /nfs/dbraw/zinc/63/71/78/1133637178.db2.gz BYGPSPOULUAMMO-MGHKXQOZSA-N 2 1 343.515 3.754 20 0 EHADMP CC1CCC(Oc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccn2)CC1 ZINC000774185477 1133637182 /nfs/dbraw/zinc/63/71/82/1133637182.db2.gz BYGPSPOULUAMMO-MGHKXQOZSA-N 2 1 343.515 3.754 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774389819 1133675495 /nfs/dbraw/zinc/67/54/95/1133675495.db2.gz FQDQZCMKBVUSIZ-CYZMBNFOSA-N 2 1 328.287 3.853 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137104 1133773937 /nfs/dbraw/zinc/77/39/37/1133773937.db2.gz OJKYAZUPTYQTLL-VSKRKVRLSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001183137104 1133773941 /nfs/dbraw/zinc/77/39/41/1133773941.db2.gz OJKYAZUPTYQTLL-VSKRKVRLSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001183137104 1133773948 /nfs/dbraw/zinc/77/39/48/1133773948.db2.gz OJKYAZUPTYQTLL-VSKRKVRLSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183137104 1133773951 /nfs/dbraw/zinc/77/39/51/1133773951.db2.gz OJKYAZUPTYQTLL-VSKRKVRLSA-N 2 1 344.543 3.772 20 0 EHADMP COc1cc(F)cc(OC)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001183512081 1133820628 /nfs/dbraw/zinc/82/06/28/1133820628.db2.gz XESYXRWTPAGBDX-UHFFFAOYSA-N 2 1 338.467 3.541 20 0 EHADMP COc1cc(F)cc(OC)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001183512081 1133820636 /nfs/dbraw/zinc/82/06/36/1133820636.db2.gz XESYXRWTPAGBDX-UHFFFAOYSA-N 2 1 338.467 3.541 20 0 EHADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C[NH+](C)C ZINC001183754664 1133855197 /nfs/dbraw/zinc/85/51/97/1133855197.db2.gz HMDAQYHYPUTYND-BHIYHBOVSA-N 2 1 338.923 3.923 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC001183960095 1133881983 /nfs/dbraw/zinc/88/19/83/1133881983.db2.gz VQOFBLUQBVVURE-UZLBHIALSA-N 2 1 328.500 3.754 20 0 EHADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000788801076 1134171565 /nfs/dbraw/zinc/17/15/65/1134171565.db2.gz YCVXCMQRJSULED-WMZOPIPTSA-N 2 1 341.886 3.834 20 0 EHADMP Clc1ccc2c(n1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000788801076 1134171570 /nfs/dbraw/zinc/17/15/70/1134171570.db2.gz YCVXCMQRJSULED-WMZOPIPTSA-N 2 1 341.886 3.834 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000791632837 1134587628 /nfs/dbraw/zinc/58/76/28/1134587628.db2.gz FLNWWHAAPVKOIB-DYESRHJHSA-N 2 1 334.467 3.910 20 0 EHADMP CC[NH+](CC)CCN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775364074 1134667222 /nfs/dbraw/zinc/66/72/22/1134667222.db2.gz LRJRNMVVESDPQF-SFHVURJKSA-N 2 1 347.547 3.674 20 0 EHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775388813 1134701833 /nfs/dbraw/zinc/70/18/33/1134701833.db2.gz UGPIYYMFWCOVRA-NCOADZHNSA-N 2 1 342.618 3.856 20 0 EHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775388813 1134701838 /nfs/dbraw/zinc/70/18/38/1134701838.db2.gz UGPIYYMFWCOVRA-NCOADZHNSA-N 2 1 342.618 3.856 20 0 EHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC001190642284 1134730760 /nfs/dbraw/zinc/73/07/60/1134730760.db2.gz ANCMWXLOVRJLGB-FCHUYYIVSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC001190642284 1134730764 /nfs/dbraw/zinc/73/07/64/1134730764.db2.gz ANCMWXLOVRJLGB-FCHUYYIVSA-N 2 1 344.543 3.914 20 0 EHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC001190642284 1134730768 /nfs/dbraw/zinc/73/07/68/1134730768.db2.gz ANCMWXLOVRJLGB-FCHUYYIVSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC001190642284 1134730772 /nfs/dbraw/zinc/73/07/72/1134730772.db2.gz ANCMWXLOVRJLGB-FCHUYYIVSA-N 2 1 344.543 3.914 20 0 EHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC001190642284 1134730777 /nfs/dbraw/zinc/73/07/77/1134730777.db2.gz ANCMWXLOVRJLGB-FCHUYYIVSA-N 2 1 344.543 3.914 20 0 EHADMP C[C@H](O)CC[N@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078257 1134789266 /nfs/dbraw/zinc/78/92/66/1134789266.db2.gz RFAUMBOCCXFWQI-UGKGYDQZSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@H](O)CC[N@@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001191078257 1134789272 /nfs/dbraw/zinc/78/92/72/1134789272.db2.gz RFAUMBOCCXFWQI-UGKGYDQZSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@H](O)CC[NH+](C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078257 1134789278 /nfs/dbraw/zinc/78/92/78/1134789278.db2.gz RFAUMBOCCXFWQI-UGKGYDQZSA-N 2 1 340.511 3.605 20 0 EHADMP C[C@H](O)CC[NH+](C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001191078257 1134789285 /nfs/dbraw/zinc/78/92/85/1134789285.db2.gz RFAUMBOCCXFWQI-UGKGYDQZSA-N 2 1 340.511 3.605 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170423090 1134829462 /nfs/dbraw/zinc/82/94/62/1134829462.db2.gz CAFQHSOJBOBHBC-FHWLQOOXSA-N 2 1 344.499 3.718 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170423926 1134836115 /nfs/dbraw/zinc/83/61/15/1134836115.db2.gz IMMFWDAHEVNHRZ-QZTJIDSGSA-N 2 1 344.499 3.733 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170423926 1134836121 /nfs/dbraw/zinc/83/61/21/1134836121.db2.gz IMMFWDAHEVNHRZ-QZTJIDSGSA-N 2 1 344.499 3.733 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000793206279 1134883116 /nfs/dbraw/zinc/88/31/16/1134883116.db2.gz DPWIECFMJWWSTH-KRWDZBQOSA-N 2 1 329.875 3.655 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600281 1134894890 /nfs/dbraw/zinc/89/48/90/1134894890.db2.gz DMHAEPOPJUQWII-YOEHRIQHSA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600281 1134894896 /nfs/dbraw/zinc/89/48/96/1134894896.db2.gz DMHAEPOPJUQWII-YOEHRIQHSA-N 2 1 339.321 3.654 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600281 1134894903 /nfs/dbraw/zinc/89/49/03/1134894903.db2.gz DMHAEPOPJUQWII-YOEHRIQHSA-N 2 1 339.321 3.654 20 0 EHADMP C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775495811 1134951719 /nfs/dbraw/zinc/95/17/19/1134951719.db2.gz CFKGKPQKPYYGQF-KNQAVFIVSA-N 2 1 349.522 3.549 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001170446116 1135043456 /nfs/dbraw/zinc/04/34/56/1135043456.db2.gz ZRBDRHAEXMYOQO-LJQANCHMSA-N 2 1 346.515 3.789 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC001192918895 1135073339 /nfs/dbraw/zinc/07/33/39/1135073339.db2.gz PRVJLYDVKQEFAN-SJORKVTESA-N 2 1 344.421 3.680 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205618280 1135087237 /nfs/dbraw/zinc/08/72/37/1135087237.db2.gz UDZANTKNGRBDDR-UONOGXRCSA-N 2 1 325.294 3.564 20 0 EHADMP CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C12CCC2 ZINC001194385637 1135262300 /nfs/dbraw/zinc/26/23/00/1135262300.db2.gz ROFLUBCXVYQZAS-RBUKOAKNSA-N 2 1 325.456 3.570 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641379 1135295142 /nfs/dbraw/zinc/29/51/42/1135295142.db2.gz XIOOSCUMPTVPST-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641379 1135295147 /nfs/dbraw/zinc/29/51/47/1135295147.db2.gz XIOOSCUMPTVPST-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641379 1135295153 /nfs/dbraw/zinc/29/51/53/1135295153.db2.gz XIOOSCUMPTVPST-QFIPXVFZSA-N 3 1 341.543 3.590 20 0 EHADMP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641379 1135295158 /nfs/dbraw/zinc/29/51/58/1135295158.db2.gz XIOOSCUMPTVPST-QFIPXVFZSA-N 2 1 341.543 3.590 20 0 EHADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC001194641379 1135295162 /nfs/dbraw/zinc/29/51/62/1135295162.db2.gz XIOOSCUMPTVPST-QFIPXVFZSA-N 2 1 341.543 3.590 20 0 EHADMP C=Cc1ccccc1[NH+]1C=CC(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)C=C1 ZINC001170492842 1135357970 /nfs/dbraw/zinc/35/79/70/1135357970.db2.gz DQOLYQHXNVZMAU-IPJUCJBFSA-N 2 1 349.478 3.701 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCOc1ccccc1F ZINC001199085468 1135879757 /nfs/dbraw/zinc/87/97/57/1135879757.db2.gz KSITUOKKASBUIH-UHFFFAOYSA-N 2 1 344.474 3.952 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCOc1ccccc1F ZINC001199085468 1135879760 /nfs/dbraw/zinc/87/97/60/1135879760.db2.gz KSITUOKKASBUIH-UHFFFAOYSA-N 2 1 344.474 3.952 20 0 EHADMP CCn1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC001199321524 1135897492 /nfs/dbraw/zinc/89/74/92/1135897492.db2.gz ZWWKPXJMIZHMOF-ROUUACIJSA-N 2 1 340.515 3.671 20 0 EHADMP CC(C)=CCC[C@H](C)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201488181 1136027479 /nfs/dbraw/zinc/02/74/79/1136027479.db2.gz WVGAOVCDHIKEFX-SFHVURJKSA-N 2 1 332.536 3.921 20 0 EHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201488181 1136027482 /nfs/dbraw/zinc/02/74/82/1136027482.db2.gz WVGAOVCDHIKEFX-SFHVURJKSA-N 2 1 332.536 3.921 20 0 EHADMP CC(C)=CCC[C@H](C)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201488181 1136027483 /nfs/dbraw/zinc/02/74/83/1136027483.db2.gz WVGAOVCDHIKEFX-SFHVURJKSA-N 2 1 332.536 3.921 20 0 EHADMP CC(C)=CCC[C@H](C)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201488181 1136027486 /nfs/dbraw/zinc/02/74/86/1136027486.db2.gz WVGAOVCDHIKEFX-SFHVURJKSA-N 2 1 332.536 3.921 20 0 EHADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201541159 1136034014 /nfs/dbraw/zinc/03/40/14/1136034014.db2.gz DBNGFJKUZVPBMB-COPCDDAFSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201541159 1136034017 /nfs/dbraw/zinc/03/40/17/1136034017.db2.gz DBNGFJKUZVPBMB-COPCDDAFSA-N 2 1 348.575 3.883 20 0 EHADMP CCC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201541159 1136034018 /nfs/dbraw/zinc/03/40/18/1136034018.db2.gz DBNGFJKUZVPBMB-COPCDDAFSA-N 2 1 348.575 3.883 20 0 EHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccccc3)C[C@@H]21 ZINC001201603662 1136046036 /nfs/dbraw/zinc/04/60/36/1136046036.db2.gz LNPRYYITLFAFOF-ACIOBRDBSA-N 2 1 349.522 3.857 20 0 EHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccccc3)C[C@@H]21 ZINC001201603662 1136046040 /nfs/dbraw/zinc/04/60/40/1136046040.db2.gz LNPRYYITLFAFOF-ACIOBRDBSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]21 ZINC001201603662 1136046042 /nfs/dbraw/zinc/04/60/42/1136046042.db2.gz LNPRYYITLFAFOF-ACIOBRDBSA-N 2 1 349.522 3.857 20 0 EHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC001201603662 1136046045 /nfs/dbraw/zinc/04/60/45/1136046045.db2.gz LNPRYYITLFAFOF-ACIOBRDBSA-N 2 1 349.522 3.857 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC001202102271 1136094164 /nfs/dbraw/zinc/09/41/64/1136094164.db2.gz OSRPHFDGWLPLMW-IPMKNSEASA-N 2 1 330.516 3.833 20 0 EHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202160950 1136103316 /nfs/dbraw/zinc/10/33/16/1136103316.db2.gz PDBMJXVEVCQCFE-OAQYLSRUSA-N 2 1 342.527 3.932 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1SCCS1 ZINC000850569418 1136288513 /nfs/dbraw/zinc/28/85/13/1136288513.db2.gz CZWGCSJRUGCAKN-NVXWUHKLSA-N 2 1 336.570 3.683 20 0 EHADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000851813204 1136410706 /nfs/dbraw/zinc/41/07/06/1136410706.db2.gz QOAINMPWLQPCJP-MHTWAQMVSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000851813204 1136410710 /nfs/dbraw/zinc/41/07/10/1136410710.db2.gz QOAINMPWLQPCJP-MHTWAQMVSA-N 2 1 328.500 3.540 20 0 EHADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000851813204 1136410712 /nfs/dbraw/zinc/41/07/12/1136410712.db2.gz QOAINMPWLQPCJP-MHTWAQMVSA-N 2 1 328.500 3.540 20 0 EHADMP Fc1cc2[nH]c[nH+]c2cc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170753638 1136480289 /nfs/dbraw/zinc/48/02/89/1136480289.db2.gz BEQUJSOAHNTSQU-INIZCTEOSA-N 2 1 338.430 3.821 20 0 EHADMP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000815052208 1136540392 /nfs/dbraw/zinc/54/03/92/1136540392.db2.gz HNBDLMZVZQTJCV-KNQAVFIVSA-N 2 1 338.495 3.824 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3Cl)cc2)C1 ZINC000815115925 1136551341 /nfs/dbraw/zinc/55/13/41/1136551341.db2.gz QZSYUOXSVZWPHX-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3Cl)cc2)C1 ZINC000815115925 1136551342 /nfs/dbraw/zinc/55/13/42/1136551342.db2.gz QZSYUOXSVZWPHX-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856551483 1136793827 /nfs/dbraw/zinc/79/38/27/1136793827.db2.gz SMCZLEHUXIGGAM-WAOWUJCRSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856551483 1136793833 /nfs/dbraw/zinc/79/38/33/1136793833.db2.gz SMCZLEHUXIGGAM-WAOWUJCRSA-N 2 1 345.531 3.813 20 0 EHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856551483 1136793837 /nfs/dbraw/zinc/79/38/37/1136793837.db2.gz SMCZLEHUXIGGAM-WAOWUJCRSA-N 2 1 345.531 3.813 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(C)(C)C)C2)ccn1 ZINC000856560779 1136795602 /nfs/dbraw/zinc/79/56/02/1136795602.db2.gz QVIJAHUBJSHWJV-IBGZPJMESA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560779 1136795604 /nfs/dbraw/zinc/79/56/04/1136795604.db2.gz QVIJAHUBJSHWJV-IBGZPJMESA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560779 1136795608 /nfs/dbraw/zinc/79/56/08/1136795608.db2.gz QVIJAHUBJSHWJV-IBGZPJMESA-N 2 1 333.520 3.811 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000817891151 1136843440 /nfs/dbraw/zinc/84/34/40/1136843440.db2.gz GVSVKUYREDAYTH-GKCIPKSASA-N 2 1 335.451 3.609 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817894627 1136843785 /nfs/dbraw/zinc/84/37/85/1136843785.db2.gz NYRUIJZVJOGEDG-YPMHNXCESA-N 2 1 326.469 3.870 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000817906042 1136845360 /nfs/dbraw/zinc/84/53/60/1136845360.db2.gz XDHRECWUGLKJCS-IXDOHACOSA-N 2 1 337.250 3.761 20 0 EHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926304 1136846854 /nfs/dbraw/zinc/84/68/54/1136846854.db2.gz FEAGNYOIDFTPNA-SWHYSGLUSA-N 2 1 329.271 3.795 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1C[NH+]1CCCCC1 ZINC000818615993 1136886332 /nfs/dbraw/zinc/88/63/32/1136886332.db2.gz SHDOCVVSMAQUHB-PWIZWCRZSA-N 3 1 345.531 3.602 20 0 EHADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000818961444 1136891738 /nfs/dbraw/zinc/89/17/38/1136891738.db2.gz QGHFYJINXNIALH-YRNRMSPPSA-N 2 1 336.495 3.515 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818988479 1136897549 /nfs/dbraw/zinc/89/75/49/1136897549.db2.gz QXMUPRCJQWOPQI-FXAWDEMLSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818988479 1136897552 /nfs/dbraw/zinc/89/75/52/1136897552.db2.gz QXMUPRCJQWOPQI-FXAWDEMLSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000819078928 1136911218 /nfs/dbraw/zinc/91/12/18/1136911218.db2.gz OFVGTFDFFWSYHN-AVRDEDQJSA-N 2 1 338.495 3.844 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000858166149 1136945792 /nfs/dbraw/zinc/94/57/92/1136945792.db2.gz AZHINBRIJFMVKA-SJLPKXTDSA-N 2 1 343.515 3.727 20 0 EHADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(Br)cc1F ZINC000858175741 1136946456 /nfs/dbraw/zinc/94/64/56/1136946456.db2.gz SWWGLWZAJVFJCY-UHFFFAOYSA-N 2 1 343.284 3.861 20 0 EHADMP C[NH+](C)CCOc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000858398914 1136964351 /nfs/dbraw/zinc/96/43/51/1136964351.db2.gz LSMGVBDVTWXTEL-OAHLLOKOSA-N 2 1 339.911 3.565 20 0 EHADMP COC1(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012909 1136986806 /nfs/dbraw/zinc/98/68/06/1136986806.db2.gz JSVJINKIVHKFRO-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012909 1136986808 /nfs/dbraw/zinc/98/68/08/1136986808.db2.gz JSVJINKIVHKFRO-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012909 1136986812 /nfs/dbraw/zinc/98/68/12/1136986812.db2.gz JSVJINKIVHKFRO-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP COC1(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000339012909 1136986814 /nfs/dbraw/zinc/98/68/14/1136986814.db2.gz JSVJINKIVHKFRO-AZUAARDMSA-N 2 1 330.516 3.931 20 0 EHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1c(F)cccc1F ZINC000859995154 1137040130 /nfs/dbraw/zinc/04/01/30/1137040130.db2.gz MEXXSARENNILAO-IBGZPJMESA-N 2 1 348.437 3.582 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066023 1137152017 /nfs/dbraw/zinc/15/20/17/1137152017.db2.gz FRWWDIZBYMXRHA-HUUCEWRRSA-N 2 1 327.299 3.925 20 0 EHADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001143680590 1137188971 /nfs/dbraw/zinc/18/89/71/1137188971.db2.gz DXMCNVNZQPDHFU-UHFFFAOYSA-N 2 1 326.406 3.932 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000844222170 1137203370 /nfs/dbraw/zinc/20/33/70/1137203370.db2.gz YUBZMEUYFYUZAQ-CTNGQTDRSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000844222170 1137203371 /nfs/dbraw/zinc/20/33/71/1137203371.db2.gz YUBZMEUYFYUZAQ-CTNGQTDRSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000844222170 1137203373 /nfs/dbraw/zinc/20/33/73/1137203373.db2.gz YUBZMEUYFYUZAQ-CTNGQTDRSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222170 1137203375 /nfs/dbraw/zinc/20/33/75/1137203375.db2.gz YUBZMEUYFYUZAQ-CTNGQTDRSA-N 3 1 331.548 3.881 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1Cc1ccccc1 ZINC000844222170 1137203377 /nfs/dbraw/zinc/20/33/77/1137203377.db2.gz YUBZMEUYFYUZAQ-CTNGQTDRSA-N 3 1 331.548 3.881 20 0 EHADMP COCCSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339066016 1137216692 /nfs/dbraw/zinc/21/66/92/1137216692.db2.gz DQGNEXMEGZNHQC-RYQLBKOJSA-N 2 1 334.529 3.703 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510016 1137290126 /nfs/dbraw/zinc/29/01/26/1137290126.db2.gz RCIQZYSRWAMDSE-MJGOQNOKSA-N 2 1 338.499 3.608 20 0 EHADMP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000865661630 1137302605 /nfs/dbraw/zinc/30/26/05/1137302605.db2.gz VOAHIHOLTDJNQK-OYNPSCLESA-N 2 1 330.516 3.549 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866250314 1137339193 /nfs/dbraw/zinc/33/91/93/1137339193.db2.gz YINOVCUIFGAJHX-KNQAVFIVSA-N 2 1 337.511 3.905 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866260705 1137340446 /nfs/dbraw/zinc/34/04/46/1137340446.db2.gz WGVLKLRAMFLVFD-VXGBXAGGSA-N 2 1 332.835 3.973 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000866353136 1137348463 /nfs/dbraw/zinc/34/84/63/1137348463.db2.gz PBFPHLPTCAKKRR-KNQAVFIVSA-N 2 1 337.511 3.905 20 0 EHADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000866399289 1137351907 /nfs/dbraw/zinc/35/19/07/1137351907.db2.gz REPVSAJOPRZOSJ-ZWKOTPCHSA-N 2 1 325.500 3.877 20 0 EHADMP CCc1noc(C)c1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866412178 1137352639 /nfs/dbraw/zinc/35/26/39/1137352639.db2.gz APYHVMWNAILNMK-JTDSTZFVSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866412178 1137352642 /nfs/dbraw/zinc/35/26/42/1137352642.db2.gz APYHVMWNAILNMK-JTDSTZFVSA-N 2 1 341.499 3.964 20 0 EHADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866412178 1137352644 /nfs/dbraw/zinc/35/26/44/1137352644.db2.gz APYHVMWNAILNMK-JTDSTZFVSA-N 2 1 341.499 3.964 20 0 EHADMP O[C@@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000866637316 1137371708 /nfs/dbraw/zinc/37/17/08/1137371708.db2.gz GATZFHUJMBOELB-LRSLUSHPSA-N 2 1 342.527 3.713 20 0 EHADMP Clc1cncc(Cl)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666988 1137372971 /nfs/dbraw/zinc/37/29/71/1137372971.db2.gz ZKAQBYGMDRUGGF-OLZOCXBDSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666988 1137372972 /nfs/dbraw/zinc/37/29/72/1137372972.db2.gz ZKAQBYGMDRUGGF-OLZOCXBDSA-N 2 1 328.287 3.600 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703558 1137374660 /nfs/dbraw/zinc/37/46/60/1137374660.db2.gz JVQCKNQAAZUXRH-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703558 1137374661 /nfs/dbraw/zinc/37/46/61/1137374661.db2.gz JVQCKNQAAZUXRH-HXUWFJFHSA-N 2 1 327.472 3.847 20 0 EHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001171290656 1137396453 /nfs/dbraw/zinc/39/64/53/1137396453.db2.gz AGTZGUWSQUTVSS-GJZGRUSLSA-N 2 1 336.907 3.527 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000773046522 1137461497 /nfs/dbraw/zinc/46/14/97/1137461497.db2.gz STUUAHSQKBBSLG-SJCJKPOMSA-N 2 1 342.886 3.754 20 0 EHADMP Cc1ncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000773078120 1137463783 /nfs/dbraw/zinc/46/37/83/1137463783.db2.gz VCZQUHQYONEVNK-YJBOKZPZSA-N 2 1 329.513 3.637 20 0 EHADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716619064 1137487677 /nfs/dbraw/zinc/48/76/77/1137487677.db2.gz BARQSGMKIZYSQN-SDZDHKAXSA-N 2 1 328.500 3.587 20 0 EHADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000716678616 1137488287 /nfs/dbraw/zinc/48/82/87/1137488287.db2.gz LMSUOPKDFLAHEG-BVSLBCMMSA-N 2 1 335.495 3.841 20 0 EHADMP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171519288 1137495977 /nfs/dbraw/zinc/49/59/77/1137495977.db2.gz DPSSTWNWUNZXSW-AWEZNQCLSA-N 2 1 338.417 3.555 20 0 EHADMP C[NH+]1C(C)(C)CC(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171620141 1137500892 /nfs/dbraw/zinc/50/08/92/1137500892.db2.gz VAGPQQRUUZZBMU-LJQANCHMSA-N 2 1 343.559 3.750 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171620141 1137500894 /nfs/dbraw/zinc/50/08/94/1137500894.db2.gz VAGPQQRUUZZBMU-LJQANCHMSA-N 3 1 343.559 3.750 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001171620141 1137500896 /nfs/dbraw/zinc/50/08/96/1137500896.db2.gz VAGPQQRUUZZBMU-LJQANCHMSA-N 3 1 343.559 3.750 20 0 EHADMP COc1ccccc1O[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171638145 1137504551 /nfs/dbraw/zinc/50/45/51/1137504551.db2.gz UFPDIVVYWOWHDI-QGZVFWFLSA-N 2 1 346.515 3.800 20 0 EHADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001171644575 1137505163 /nfs/dbraw/zinc/50/51/63/1137505163.db2.gz FOGIBORYRQVUIR-JKSUJKDBSA-N 2 1 338.536 3.549 20 0 EHADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725230 1137506546 /nfs/dbraw/zinc/50/65/46/1137506546.db2.gz IAJXRBHQUOTXCA-CZUORRHYSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725230 1137506547 /nfs/dbraw/zinc/50/65/47/1137506547.db2.gz IAJXRBHQUOTXCA-CZUORRHYSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cc(O)ccc32)C[N@H+]1Cc1ccccc1 ZINC001171727707 1137506742 /nfs/dbraw/zinc/50/67/42/1137506742.db2.gz FZLNZQLFOVNTHL-VQIMIIECSA-N 2 1 349.478 3.684 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738444 1137511064 /nfs/dbraw/zinc/51/10/64/1137511064.db2.gz JBBJPNCYNHDZOB-NRSPTQNISA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738444 1137511066 /nfs/dbraw/zinc/51/10/66/1137511066.db2.gz JBBJPNCYNHDZOB-NRSPTQNISA-N 2 1 341.543 3.646 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738444 1137511068 /nfs/dbraw/zinc/51/10/68/1137511068.db2.gz JBBJPNCYNHDZOB-NRSPTQNISA-N 2 1 341.543 3.646 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870868177 1137513659 /nfs/dbraw/zinc/51/36/59/1137513659.db2.gz YZWSEVQBDVCIFO-AFJQURTJSA-N 2 1 341.499 3.532 20 0 EHADMP CC1(C)C[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171966657 1137520638 /nfs/dbraw/zinc/52/06/38/1137520638.db2.gz WAVAXSPOOZYDML-LEWJYISDSA-N 2 1 349.522 3.820 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171969576 1137523604 /nfs/dbraw/zinc/52/36/04/1137523604.db2.gz VHOJXXRWCOFLDY-HXUWFJFHSA-N 2 1 338.495 3.968 20 0 EHADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977982 1137526245 /nfs/dbraw/zinc/52/62/45/1137526245.db2.gz IDQBFJVKRDWBOS-AQNXPRMDSA-N 2 1 330.516 3.977 20 0 EHADMP CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171982482 1137526497 /nfs/dbraw/zinc/52/64/97/1137526497.db2.gz IYAKYFSGDYZTFA-IBGZPJMESA-N 2 1 330.516 3.836 20 0 EHADMP CCO[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985566 1137527502 /nfs/dbraw/zinc/52/75/02/1137527502.db2.gz YBUSZAFXVPLIHH-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985566 1137527504 /nfs/dbraw/zinc/52/75/04/1137527504.db2.gz YBUSZAFXVPLIHH-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985566 1137527505 /nfs/dbraw/zinc/52/75/05/1137527505.db2.gz YBUSZAFXVPLIHH-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987774 1137527870 /nfs/dbraw/zinc/52/78/70/1137527870.db2.gz JGXXUGVXXQYALB-ZJOUEHCJSA-N 2 1 328.500 3.683 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987774 1137527872 /nfs/dbraw/zinc/52/78/72/1137527872.db2.gz JGXXUGVXXQYALB-ZJOUEHCJSA-N 2 1 328.500 3.683 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987774 1137527874 /nfs/dbraw/zinc/52/78/74/1137527874.db2.gz JGXXUGVXXQYALB-ZJOUEHCJSA-N 2 1 328.500 3.683 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987774 1137527875 /nfs/dbraw/zinc/52/78/75/1137527875.db2.gz JGXXUGVXXQYALB-ZJOUEHCJSA-N 2 1 328.500 3.683 20 0 EHADMP c1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001172061015 1137528716 /nfs/dbraw/zinc/52/87/16/1137528716.db2.gz DXXWORNBVSSNAO-NNZMDNLPSA-N 2 1 327.497 3.818 20 0 EHADMP c1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172061015 1137528718 /nfs/dbraw/zinc/52/87/18/1137528718.db2.gz DXXWORNBVSSNAO-NNZMDNLPSA-N 2 1 327.497 3.818 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072349 1137529964 /nfs/dbraw/zinc/52/99/64/1137529964.db2.gz LFQQQJIFRDFEAN-LRGNLBRXSA-N 2 1 338.499 3.656 20 0 EHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC001172072349 1137529966 /nfs/dbraw/zinc/52/99/66/1137529966.db2.gz LFQQQJIFRDFEAN-LRGNLBRXSA-N 2 1 338.499 3.656 20 0 EHADMP CC(C)([NH3+])C(C)(C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076335 1137530289 /nfs/dbraw/zinc/53/02/89/1137530289.db2.gz HXEUFJMJDIKNSQ-REPLKXPHSA-N 2 1 329.532 3.678 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079707 1137530970 /nfs/dbraw/zinc/53/09/70/1137530970.db2.gz POSXJMVDDGCTRD-VOFPXKNKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079707 1137530971 /nfs/dbraw/zinc/53/09/71/1137530971.db2.gz POSXJMVDDGCTRD-VOFPXKNKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079707 1137530972 /nfs/dbraw/zinc/53/09/72/1137530972.db2.gz POSXJMVDDGCTRD-VOFPXKNKSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079706 1137531174 /nfs/dbraw/zinc/53/11/74/1137531174.db2.gz POSXJMVDDGCTRD-OHLDOZIISA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079706 1137531176 /nfs/dbraw/zinc/53/11/76/1137531176.db2.gz POSXJMVDDGCTRD-OHLDOZIISA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079706 1137531178 /nfs/dbraw/zinc/53/11/78/1137531178.db2.gz POSXJMVDDGCTRD-OHLDOZIISA-N 2 1 341.543 3.502 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172081285 1137531803 /nfs/dbraw/zinc/53/18/03/1137531803.db2.gz DZRGQRZESWHGQN-WOZUAGRISA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081285 1137531805 /nfs/dbraw/zinc/53/18/05/1137531805.db2.gz DZRGQRZESWHGQN-WOZUAGRISA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081285 1137531806 /nfs/dbraw/zinc/53/18/06/1137531806.db2.gz DZRGQRZESWHGQN-WOZUAGRISA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172081285 1137531808 /nfs/dbraw/zinc/53/18/08/1137531808.db2.gz DZRGQRZESWHGQN-WOZUAGRISA-N 2 1 342.527 3.807 20 0 EHADMP CC(C)(O)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172081285 1137531809 /nfs/dbraw/zinc/53/18/09/1137531809.db2.gz DZRGQRZESWHGQN-WOZUAGRISA-N 2 1 342.527 3.807 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172100504 1137532954 /nfs/dbraw/zinc/53/29/54/1137532954.db2.gz CWJUISWQZNOSBK-KOUNCHBCSA-N 3 1 341.543 3.504 20 0 EHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172100504 1137532955 /nfs/dbraw/zinc/53/29/55/1137532955.db2.gz CWJUISWQZNOSBK-KOUNCHBCSA-N 2 1 341.543 3.504 20 0 EHADMP CCCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065122 1137533051 /nfs/dbraw/zinc/53/30/51/1137533051.db2.gz LLYYIIYTOKRCER-BURNTYAHSA-N 2 1 330.516 3.713 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067090 1137533592 /nfs/dbraw/zinc/53/35/92/1137533592.db2.gz ALRGGTRXQRCGFK-IWTFSIHTSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067090 1137533594 /nfs/dbraw/zinc/53/35/94/1137533594.db2.gz ALRGGTRXQRCGFK-IWTFSIHTSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067090 1137533595 /nfs/dbraw/zinc/53/35/95/1137533595.db2.gz ALRGGTRXQRCGFK-IWTFSIHTSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067090 1137533597 /nfs/dbraw/zinc/53/35/97/1137533597.db2.gz ALRGGTRXQRCGFK-IWTFSIHTSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@]1(O)CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067240 1137533878 /nfs/dbraw/zinc/53/38/78/1137533878.db2.gz LYDNJSOCXCTAGT-YPHBOWRQSA-N 2 1 342.527 3.855 20 0 EHADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068118 1137534631 /nfs/dbraw/zinc/53/46/31/1137534631.db2.gz HMJGLKVTZKWVPP-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068118 1137534633 /nfs/dbraw/zinc/53/46/33/1137534633.db2.gz HMJGLKVTZKWVPP-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068118 1137534634 /nfs/dbraw/zinc/53/46/34/1137534634.db2.gz HMJGLKVTZKWVPP-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@H]1O ZINC001172068118 1137534635 /nfs/dbraw/zinc/53/46/35/1137534635.db2.gz HMJGLKVTZKWVPP-MIUGBVLSSA-N 2 1 342.527 3.665 20 0 EHADMP COc1ccccc1C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172124543 1137535085 /nfs/dbraw/zinc/53/50/85/1137535085.db2.gz LJKXOWGFGVHPDZ-REPLKXPHSA-N 2 1 328.500 3.890 20 0 EHADMP COc1ccccc1C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172124543 1137535086 /nfs/dbraw/zinc/53/50/86/1137535086.db2.gz LJKXOWGFGVHPDZ-REPLKXPHSA-N 2 1 328.500 3.890 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001172106881 1137536840 /nfs/dbraw/zinc/53/68/40/1137536840.db2.gz QRTSFHYQAGQANK-ZSOGYDGISA-N 2 1 346.368 3.829 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3ccc(Cl)cc31)C2 ZINC001172112300 1137537946 /nfs/dbraw/zinc/53/79/46/1137537946.db2.gz UIUJXWHIJCQPDZ-FVQHAEBGSA-N 2 1 331.891 3.984 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172120096 1137538424 /nfs/dbraw/zinc/53/84/24/1137538424.db2.gz CGSMFBOIUABBLV-YDZRNGNQSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172120096 1137538425 /nfs/dbraw/zinc/53/84/25/1137538425.db2.gz CGSMFBOIUABBLV-YDZRNGNQSA-N 2 1 344.499 3.554 20 0 EHADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172120096 1137538426 /nfs/dbraw/zinc/53/84/26/1137538426.db2.gz CGSMFBOIUABBLV-YDZRNGNQSA-N 2 1 344.499 3.554 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccccc3)CC1)C2 ZINC001172121440 1137538436 /nfs/dbraw/zinc/53/84/36/1137538436.db2.gz JNFQUOGKQSEAJT-PMOLBWCYSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccccc3)CC1)C2 ZINC001172121440 1137538437 /nfs/dbraw/zinc/53/84/37/1137538437.db2.gz JNFQUOGKQSEAJT-PMOLBWCYSA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nc(C3CC[NH2+]CC3)c3ccccc31)C2 ZINC001172123542 1137538782 /nfs/dbraw/zinc/53/87/82/1137538782.db2.gz DXRDDEFABUUOSO-BCDXTJNWSA-N 2 1 338.499 3.691 20 0 EHADMP CC1(C)C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172283815 1137547938 /nfs/dbraw/zinc/54/79/38/1137547938.db2.gz ZZVNCBDEWIIFRN-KZNAEPCWSA-N 2 1 336.907 3.979 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172329201 1137550631 /nfs/dbraw/zinc/55/06/31/1137550631.db2.gz GEKXBKDREPDLPJ-XLAORIBOSA-N 2 1 336.545 3.705 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172329201 1137550632 /nfs/dbraw/zinc/55/06/32/1137550632.db2.gz GEKXBKDREPDLPJ-XLAORIBOSA-N 2 1 336.545 3.705 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172329201 1137550634 /nfs/dbraw/zinc/55/06/34/1137550634.db2.gz GEKXBKDREPDLPJ-XLAORIBOSA-N 2 1 336.545 3.705 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172329201 1137550635 /nfs/dbraw/zinc/55/06/35/1137550635.db2.gz GEKXBKDREPDLPJ-XLAORIBOSA-N 2 1 336.545 3.705 20 0 EHADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232308 1137594461 /nfs/dbraw/zinc/59/44/61/1137594461.db2.gz PDGWYPXLJWZLIQ-GOEBONIOSA-N 2 1 338.927 3.502 20 0 EHADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1C ZINC000873232308 1137594462 /nfs/dbraw/zinc/59/44/62/1137594462.db2.gz PDGWYPXLJWZLIQ-GOEBONIOSA-N 2 1 338.927 3.502 20 0 EHADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000873283039 1137596324 /nfs/dbraw/zinc/59/63/24/1137596324.db2.gz MTBWRNMUFJZBKN-BFHYXJOUSA-N 2 1 347.812 3.764 20 0 EHADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247720 1137628010 /nfs/dbraw/zinc/62/80/10/1137628010.db2.gz RDIWFMKBVARKNF-PMACEKPBSA-N 2 1 344.524 3.768 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247720 1137628011 /nfs/dbraw/zinc/62/80/11/1137628011.db2.gz RDIWFMKBVARKNF-PMACEKPBSA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247720 1137628012 /nfs/dbraw/zinc/62/80/12/1137628012.db2.gz RDIWFMKBVARKNF-PMACEKPBSA-N 2 1 344.524 3.768 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000125247720 1137628013 /nfs/dbraw/zinc/62/80/13/1137628013.db2.gz RDIWFMKBVARKNF-PMACEKPBSA-N 2 1 344.524 3.768 20 0 EHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1-n1cccn1 ZINC001137101009 1137644521 /nfs/dbraw/zinc/64/45/21/1137644521.db2.gz WYWQXLVVMDJQJV-VQTJNVASSA-N 2 1 338.499 3.711 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccccc1-n1cccn1 ZINC001137101009 1137644522 /nfs/dbraw/zinc/64/45/22/1137644522.db2.gz WYWQXLVVMDJQJV-VQTJNVASSA-N 2 1 338.499 3.711 20 0 EHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccccc1-n1cccn1 ZINC001137101009 1137644523 /nfs/dbraw/zinc/64/45/23/1137644523.db2.gz WYWQXLVVMDJQJV-VQTJNVASSA-N 2 1 338.499 3.711 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000876766050 1137660765 /nfs/dbraw/zinc/66/07/65/1137660765.db2.gz ZZGBJVDJYXFIPV-YPMHNXCESA-N 2 1 334.357 3.639 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876931520 1137665598 /nfs/dbraw/zinc/66/55/98/1137665598.db2.gz NXTDZECLZNFYQB-OAHLLOKOSA-N 2 1 344.890 3.794 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876931520 1137665599 /nfs/dbraw/zinc/66/55/99/1137665599.db2.gz NXTDZECLZNFYQB-OAHLLOKOSA-N 2 1 344.890 3.794 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000876964130 1137666474 /nfs/dbraw/zinc/66/64/74/1137666474.db2.gz TUEJJQQNAAJIDB-WCJKSRRJSA-N 2 1 332.469 3.810 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000876964130 1137666475 /nfs/dbraw/zinc/66/64/75/1137666475.db2.gz TUEJJQQNAAJIDB-WCJKSRRJSA-N 2 1 332.469 3.810 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877115607 1137670550 /nfs/dbraw/zinc/67/05/50/1137670550.db2.gz QKGSPVYBKNXNBD-XLIONFOSSA-N 2 1 341.524 3.952 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877115607 1137670551 /nfs/dbraw/zinc/67/05/51/1137670551.db2.gz QKGSPVYBKNXNBD-XLIONFOSSA-N 2 1 341.524 3.952 20 0 EHADMP CCOC(CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OCC ZINC000877467020 1137677065 /nfs/dbraw/zinc/67/70/65/1137677065.db2.gz VMKSIFAUJSUQJJ-ICSRJNTNSA-N 2 1 346.515 3.733 20 0 EHADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OCC ZINC000877467020 1137677066 /nfs/dbraw/zinc/67/70/66/1137677066.db2.gz VMKSIFAUJSUQJJ-ICSRJNTNSA-N 2 1 346.515 3.733 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000877524914 1137679533 /nfs/dbraw/zinc/67/95/33/1137679533.db2.gz KOEMVOGVSVKEBA-MSOLQXFVSA-N 2 1 325.500 3.876 20 0 EHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546644 1137680889 /nfs/dbraw/zinc/68/08/89/1137680889.db2.gz VHKOIZDFDJGQGR-HXUWFJFHSA-N 2 1 345.487 3.561 20 0 EHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546644 1137680890 /nfs/dbraw/zinc/68/08/90/1137680890.db2.gz VHKOIZDFDJGQGR-HXUWFJFHSA-N 2 1 345.487 3.561 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546644 1137680891 /nfs/dbraw/zinc/68/08/91/1137680891.db2.gz VHKOIZDFDJGQGR-HXUWFJFHSA-N 2 1 345.487 3.561 20 0 EHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546644 1137680892 /nfs/dbraw/zinc/68/08/92/1137680892.db2.gz VHKOIZDFDJGQGR-HXUWFJFHSA-N 2 1 345.487 3.561 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878048631 1137700774 /nfs/dbraw/zinc/70/07/74/1137700774.db2.gz TXBUUZSGBNVZAB-RTWAWAEBSA-N 2 1 330.516 3.959 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)O2)cc1 ZINC000878122173 1137703492 /nfs/dbraw/zinc/70/34/92/1137703492.db2.gz XIHAKIYFHLTPIR-NJYVYQBISA-N 2 1 328.500 3.857 20 0 EHADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)n1 ZINC000878252351 1137708644 /nfs/dbraw/zinc/70/86/44/1137708644.db2.gz JLUUEMQIIFUZPF-FHWLQOOXSA-N 2 1 325.456 3.900 20 0 EHADMP CC1(C)C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C(C)(C)O1 ZINC000878527906 1137718886 /nfs/dbraw/zinc/71/88/86/1137718886.db2.gz IOPBFAIMKMJBHV-KRWDZBQOSA-N 2 1 345.531 3.993 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)nc1Cl ZINC000878556783 1137719999 /nfs/dbraw/zinc/71/99/99/1137719999.db2.gz MNYSDHYBPXKGNC-OAHLLOKOSA-N 2 1 344.890 3.956 20 0 EHADMP Cc1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)nc1Cl ZINC000878556783 1137720000 /nfs/dbraw/zinc/72/00/00/1137720000.db2.gz MNYSDHYBPXKGNC-OAHLLOKOSA-N 2 1 344.890 3.956 20 0 EHADMP COc1ccc([C@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)cc1F ZINC000626126087 1137750433 /nfs/dbraw/zinc/75/04/33/1137750433.db2.gz GQSVXERLGGRKSB-KRWDZBQOSA-N 2 1 331.435 3.609 20 0 EHADMP COc1ccc([C@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)cc1F ZINC000626126087 1137750434 /nfs/dbraw/zinc/75/04/34/1137750434.db2.gz GQSVXERLGGRKSB-KRWDZBQOSA-N 2 1 331.435 3.609 20 0 EHADMP Cc1cccc2c(CN3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)[nH]nc21 ZINC001137149542 1137766660 /nfs/dbraw/zinc/76/66/60/1137766660.db2.gz XNAYQAHJHKZDLO-IRXDYDNUSA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)[nH]nc21 ZINC001137149542 1137766661 /nfs/dbraw/zinc/76/66/61/1137766661.db2.gz XNAYQAHJHKZDLO-IRXDYDNUSA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)[nH]nc21 ZINC001137149542 1137766662 /nfs/dbraw/zinc/76/66/62/1137766662.db2.gz XNAYQAHJHKZDLO-IRXDYDNUSA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)[nH]nc21 ZINC001137149542 1137766663 /nfs/dbraw/zinc/76/66/63/1137766663.db2.gz XNAYQAHJHKZDLO-IRXDYDNUSA-N 2 1 326.488 3.710 20 0 EHADMP Cc1cccc2c(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)[nH]nc21 ZINC001137149542 1137766664 /nfs/dbraw/zinc/76/66/64/1137766664.db2.gz XNAYQAHJHKZDLO-IRXDYDNUSA-N 2 1 326.488 3.710 20 0 EHADMP COc1cccc([C@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880285323 1137773313 /nfs/dbraw/zinc/77/33/13/1137773313.db2.gz JHJPQVHGXDMXFC-LJQANCHMSA-N 2 1 327.472 3.629 20 0 EHADMP COc1cccc([C@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880285323 1137773314 /nfs/dbraw/zinc/77/33/14/1137773314.db2.gz JHJPQVHGXDMXFC-LJQANCHMSA-N 2 1 327.472 3.629 20 0 EHADMP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)O2)cc1 ZINC000883429144 1137860367 /nfs/dbraw/zinc/86/03/67/1137860367.db2.gz MUONVGGOISAMPY-BQJUDKOJSA-N 2 1 328.500 3.618 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282885140 1137899805 /nfs/dbraw/zinc/89/98/05/1137899805.db2.gz XDHPJBWWYNVOFC-SFHVURJKSA-N 2 1 340.515 3.559 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282885140 1137899806 /nfs/dbraw/zinc/89/98/06/1137899806.db2.gz XDHPJBWWYNVOFC-SFHVURJKSA-N 2 1 340.515 3.559 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282885140 1137899807 /nfs/dbraw/zinc/89/98/07/1137899807.db2.gz XDHPJBWWYNVOFC-SFHVURJKSA-N 2 1 340.515 3.559 20 0 EHADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000121437325 1137957824 /nfs/dbraw/zinc/95/78/24/1137957824.db2.gz PJNPPRSTFBVYGU-QZTJIDSGSA-N 2 1 336.570 3.561 20 0 EHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3cc(C)ccc3n2)CC1 ZINC001137213005 1137966033 /nfs/dbraw/zinc/96/60/33/1137966033.db2.gz KZMIUEMUFIJNGD-UHFFFAOYSA-N 2 1 346.478 3.986 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000885924120 1138025331 /nfs/dbraw/zinc/02/53/31/1138025331.db2.gz HTESMFJHBLMSRD-PZJWPPBQSA-N 2 1 330.516 3.897 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000885956562 1138028484 /nfs/dbraw/zinc/02/84/84/1138028484.db2.gz SJLRIWGJBKBGFE-FGTMMUONSA-N 2 1 336.545 3.897 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000885956562 1138028488 /nfs/dbraw/zinc/02/84/88/1138028488.db2.gz SJLRIWGJBKBGFE-FGTMMUONSA-N 2 1 336.545 3.897 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518822 1138088668 /nfs/dbraw/zinc/08/86/68/1138088668.db2.gz HDQADHFSNQASPK-VQIMIIECSA-N 2 1 346.544 3.681 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000886518822 1138088671 /nfs/dbraw/zinc/08/86/71/1138088671.db2.gz HDQADHFSNQASPK-VQIMIIECSA-N 2 1 346.544 3.681 20 0 EHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000886557016 1138095829 /nfs/dbraw/zinc/09/58/29/1138095829.db2.gz PLDYJXGKLZYFLI-HGJUEJDCSA-N 2 1 328.500 3.587 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000886594493 1138100404 /nfs/dbraw/zinc/10/04/04/1138100404.db2.gz NYIAFSBOUSUIPK-INIZCTEOSA-N 2 1 328.847 3.765 20 0 EHADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886625084 1138103432 /nfs/dbraw/zinc/10/34/32/1138103432.db2.gz IHEYBFGYUWEUSY-CPNAEOBWSA-N 2 1 342.527 3.833 20 0 EHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3C)CC2)[nH+]c1C ZINC000886662754 1138110706 /nfs/dbraw/zinc/11/07/06/1138110706.db2.gz LFPOZSPRXNGESN-UHFFFAOYSA-N 2 1 349.482 3.900 20 0 EHADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n2n1 ZINC000091731967 1138221489 /nfs/dbraw/zinc/22/14/89/1138221489.db2.gz SESSPXAEJYHONC-INIZCTEOSA-N 2 1 331.508 3.506 20 0 EHADMP CC(C)n1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821491 1138232098 /nfs/dbraw/zinc/23/20/98/1138232098.db2.gz ZAHLCZRFIWLBDH-UHFFFAOYSA-N 2 1 341.503 3.598 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000126359718 1138329444 /nfs/dbraw/zinc/32/94/44/1138329444.db2.gz NITXQQHJGNFTCU-DOMZBBRYSA-N 2 1 343.284 3.593 20 0 EHADMP CCc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CCC2 ZINC000333784620 1138331882 /nfs/dbraw/zinc/33/18/82/1138331882.db2.gz FEQQEJYBZOKABK-YZJOHNBSSA-N 2 1 345.556 3.826 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)C[C@H](C)O1 ZINC000337393708 1138555138 /nfs/dbraw/zinc/55/51/38/1138555138.db2.gz BHYDIPBGZZFCBX-FUHIMQAGSA-N 2 1 328.500 3.718 20 0 EHADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000337749272 1138658643 /nfs/dbraw/zinc/65/86/43/1138658643.db2.gz IDJMSEKRVGIBFB-INIZCTEOSA-N 2 1 330.394 3.535 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000134785011 1138705535 /nfs/dbraw/zinc/70/55/35/1138705535.db2.gz MFNNMFYZHVLBLU-GAZPGATBSA-N 2 1 337.467 3.789 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000338013668 1138723705 /nfs/dbraw/zinc/72/37/05/1138723705.db2.gz FPHIOLBYIYRUQK-HXUWFJFHSA-N 2 1 338.430 3.803 20 0 EHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000338128788 1138759660 /nfs/dbraw/zinc/75/96/60/1138759660.db2.gz GAXUMSDCSBUKMO-GOSISDBHSA-N 2 1 345.531 3.523 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000338281683 1138814905 /nfs/dbraw/zinc/81/49/05/1138814905.db2.gz MXUQUTOULYOBLP-HNNXBMFYSA-N 2 1 332.467 3.702 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000151106330 1139008681 /nfs/dbraw/zinc/00/86/81/1139008681.db2.gz ZBXPJGDBSWCFMC-KBPBESRZSA-N 2 1 342.430 3.679 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000152069758 1139071350 /nfs/dbraw/zinc/07/13/50/1139071350.db2.gz XPHAALIANWLLMJ-AWEZNQCLSA-N 2 1 335.407 3.760 20 0 EHADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152476437 1139092865 /nfs/dbraw/zinc/09/28/65/1139092865.db2.gz LTHHSLFCNZUQID-HOTGVXAUSA-N 2 1 332.488 3.619 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)C1 ZINC000174273902 1139410664 /nfs/dbraw/zinc/41/06/64/1139410664.db2.gz RPLPSHXKIURYFB-CALCHBBNSA-N 2 1 342.483 3.540 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517190 1139425863 /nfs/dbraw/zinc/42/58/63/1139425863.db2.gz XLHIZRXYDICOBT-WMZOPIPTSA-N 2 1 334.467 3.598 20 0 EHADMP C[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178391941 1139691384 /nfs/dbraw/zinc/69/13/84/1139691384.db2.gz GCROXUIFIPPPTG-CQSZACIVSA-N 2 1 341.318 3.670 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)c(F)c3)CC2)nc(C)[nH+]1 ZINC000178694732 1139711785 /nfs/dbraw/zinc/71/17/85/1139711785.db2.gz SXFMWKLTKFBDII-CYBMUJFWSA-N 2 1 346.425 3.691 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000178737216 1139714998 /nfs/dbraw/zinc/71/49/98/1139714998.db2.gz WFQPXMAQYGYKIF-GYCJOSAFSA-N 2 1 344.524 3.727 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCC[C@@H]4OCC[C@@H]42)C3)cc1 ZINC000180157393 1139813951 /nfs/dbraw/zinc/81/39/51/1139813951.db2.gz YPKWCZGITMIAAF-KFVNPPIXSA-N 2 1 340.511 3.729 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180643772 1139852151 /nfs/dbraw/zinc/85/21/51/1139852151.db2.gz KRHRYEMUEDAYBY-YWZLYKJASA-N 2 1 344.886 3.757 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181357180 1139901836 /nfs/dbraw/zinc/90/18/36/1139901836.db2.gz BSCCKRNRYWJAAQ-SGMGOOAPSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181357180 1139901839 /nfs/dbraw/zinc/90/18/39/1139901839.db2.gz BSCCKRNRYWJAAQ-SGMGOOAPSA-N 2 1 343.284 3.592 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000181737071 1139927356 /nfs/dbraw/zinc/92/73/56/1139927356.db2.gz DIFQQFUVHJOKEI-HLAWJBBLSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000181737071 1139927360 /nfs/dbraw/zinc/92/73/60/1139927360.db2.gz DIFQQFUVHJOKEI-HLAWJBBLSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737071 1139927363 /nfs/dbraw/zinc/92/73/63/1139927363.db2.gz DIFQQFUVHJOKEI-HLAWJBBLSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCO[C@@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000181737071 1139927365 /nfs/dbraw/zinc/92/73/65/1139927365.db2.gz DIFQQFUVHJOKEI-HLAWJBBLSA-N 2 1 346.515 3.515 20 0 EHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000183193440 1140019528 /nfs/dbraw/zinc/01/95/28/1140019528.db2.gz FZTUNDCNAYGTAG-BRWVUGGUSA-N 2 1 340.515 3.877 20 0 EHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2n1C ZINC000183193440 1140019533 /nfs/dbraw/zinc/01/95/33/1140019533.db2.gz FZTUNDCNAYGTAG-BRWVUGGUSA-N 2 1 340.515 3.877 20 0 EHADMP c1cn(-c2ccccc2)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000190727710 1140415373 /nfs/dbraw/zinc/41/53/73/1140415373.db2.gz RBICCZICARLYAH-UHFFFAOYSA-N 2 1 346.478 3.758 20 0 EHADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000192900972 1140555160 /nfs/dbraw/zinc/55/51/60/1140555160.db2.gz DOIFBOPFSSRWNL-IYBDPMFKSA-N 2 1 326.406 3.522 20 0 EHADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000192900972 1140555167 /nfs/dbraw/zinc/55/51/67/1140555167.db2.gz DOIFBOPFSSRWNL-IYBDPMFKSA-N 2 1 326.406 3.522 20 0 EHADMP C[NH+]1C[C@@H]2C[N@H+](CCCCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000192900972 1140555172 /nfs/dbraw/zinc/55/51/72/1140555172.db2.gz DOIFBOPFSSRWNL-IYBDPMFKSA-N 2 1 326.406 3.522 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)cc1 ZINC000268755292 1140983817 /nfs/dbraw/zinc/98/38/17/1140983817.db2.gz JBIFFRKIUCXRGD-INIZCTEOSA-N 2 1 334.508 3.597 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000268755292 1140983819 /nfs/dbraw/zinc/98/38/19/1140983819.db2.gz JBIFFRKIUCXRGD-INIZCTEOSA-N 2 1 334.508 3.597 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000268755292 1140983826 /nfs/dbraw/zinc/98/38/26/1140983826.db2.gz JBIFFRKIUCXRGD-INIZCTEOSA-N 2 1 334.508 3.597 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000268841897 1141005814 /nfs/dbraw/zinc/00/58/14/1141005814.db2.gz NUYADFDOGQISPM-IAGOWNOFSA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000268841897 1141005821 /nfs/dbraw/zinc/00/58/21/1141005821.db2.gz NUYADFDOGQISPM-IAGOWNOFSA-N 2 1 342.458 3.897 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000268861600 1141011496 /nfs/dbraw/zinc/01/14/96/1141011496.db2.gz MPTVRKPNSVUOOB-NSHDSACASA-N 2 1 340.240 3.834 20 0 EHADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268888950 1141017360 /nfs/dbraw/zinc/01/73/60/1141017360.db2.gz ZLHMWOXBZHQSHP-SPEDKVCISA-N 2 1 338.495 3.740 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)[C@H](C)C1 ZINC000268891443 1141019120 /nfs/dbraw/zinc/01/91/20/1141019120.db2.gz JTSAXVJBLZYLTR-WWMYMODYSA-N 2 1 346.515 3.504 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)cc1 ZINC000268894503 1141020653 /nfs/dbraw/zinc/02/06/53/1141020653.db2.gz JXEWZCWTSFICSI-KKSFZXQISA-N 2 1 335.451 3.873 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000268982036 1141039841 /nfs/dbraw/zinc/03/98/41/1141039841.db2.gz DCNZKVJIQGSQAW-HNAYVOBHSA-N 2 1 343.540 3.945 20 0 EHADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000268982036 1141039845 /nfs/dbraw/zinc/03/98/45/1141039845.db2.gz DCNZKVJIQGSQAW-HNAYVOBHSA-N 2 1 343.540 3.945 20 0 EHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000270820774 1141274082 /nfs/dbraw/zinc/27/40/82/1141274082.db2.gz BEKZWOZUMSLIRY-IBGZPJMESA-N 2 1 337.471 3.959 20 0 EHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000270820774 1141274086 /nfs/dbraw/zinc/27/40/86/1141274086.db2.gz BEKZWOZUMSLIRY-IBGZPJMESA-N 2 1 337.471 3.959 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000271442584 1141368377 /nfs/dbraw/zinc/36/83/77/1141368377.db2.gz DPAHNPAYDSELKP-FUHWJXTLSA-N 2 1 329.513 3.718 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000271442584 1141368385 /nfs/dbraw/zinc/36/83/85/1141368385.db2.gz DPAHNPAYDSELKP-FUHWJXTLSA-N 2 1 329.513 3.718 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000271536653 1141391217 /nfs/dbraw/zinc/39/12/17/1141391217.db2.gz XSZLWOAPOLNJPX-XOBRGWDASA-N 2 1 339.414 3.704 20 0 EHADMP C[N@@H+](Cc1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1)C1CC1 ZINC001165050467 721976513 /nfs/dbraw/zinc/97/65/13/721976513.db2.gz YJYPFGQLEHKKLQ-FQEVSTJZSA-N 2 1 342.531 3.521 20 0 EHADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)sc1Br ZINC000135116687 1032066912 /nfs/dbraw/zinc/06/69/12/1032066912.db2.gz OYWDPWKQVKRFAO-UHFFFAOYSA-N 2 1 331.323 3.785 20 0 EHADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1F ZINC000537971898 1032071141 /nfs/dbraw/zinc/07/11/41/1032071141.db2.gz LPBHCTZXZHICDK-KSZLIROESA-N 2 1 336.495 3.983 20 0 EHADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001139887728 1014392619 /nfs/dbraw/zinc/39/26/19/1014392619.db2.gz ZHFABUVICSJIRH-UHFFFAOYSA-N 2 1 326.406 3.932 20 0 EHADMP C[C@H]([NH2+]CCC[C@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274794730 1015170895 /nfs/dbraw/zinc/17/08/95/1015170895.db2.gz SPJWCCZGMMPTBY-SESVDKBCSA-N 2 1 330.516 3.836 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)cc1 ZINC000154654028 1015710112 /nfs/dbraw/zinc/71/01/12/1015710112.db2.gz CWLBONANVXCWLC-SJLPKXTDSA-N 2 1 329.488 3.876 20 0 EHADMP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459449338 1032136686 /nfs/dbraw/zinc/13/66/86/1032136686.db2.gz MSTCNNOSDFKRBL-FPOVZHCZSA-N 2 1 328.500 3.901 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000163586009 1016388402 /nfs/dbraw/zinc/38/84/02/1016388402.db2.gz PRKHGDZDJQYZAY-OXQOHEQNSA-N 2 1 349.950 3.624 20 0 EHADMP C[N@@H+](Cc1cccc(Br)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001209846622 1016589738 /nfs/dbraw/zinc/58/97/38/1016589738.db2.gz UZUJNBNFVGRBCO-UHFFFAOYSA-N 2 1 345.284 3.727 20 0 EHADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OC)c(OC)c1 ZINC000376594957 1016727531 /nfs/dbraw/zinc/72/75/31/1016727531.db2.gz JFRUDJMSQIACCB-ABHNRTSZSA-N 2 1 332.488 3.761 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn3ccnc3s2)c1 ZINC000892697244 1016845842 /nfs/dbraw/zinc/84/58/42/1016845842.db2.gz QIKJQNCTBVPZSZ-UHFFFAOYSA-N 2 1 328.485 3.526 20 0 EHADMP C[C@H]([NH2+]CCCOC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827812 1016962276 /nfs/dbraw/zinc/96/22/76/1016962276.db2.gz BHZQNADNLSVQML-ICSRJNTNSA-N 2 1 330.516 3.836 20 0 EHADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000624122997 1017039536 /nfs/dbraw/zinc/03/95/36/1017039536.db2.gz COYNCDYUASWMSG-YPMHNXCESA-N 2 1 343.334 3.819 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000624122997 1017039547 /nfs/dbraw/zinc/03/95/47/1017039547.db2.gz COYNCDYUASWMSG-YPMHNXCESA-N 2 1 343.334 3.819 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000459463644 1032163622 /nfs/dbraw/zinc/16/36/22/1032163622.db2.gz MOEFSDHOANJUFV-CBNMVNINSA-N 2 1 328.500 3.540 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463644 1032163634 /nfs/dbraw/zinc/16/36/34/1032163634.db2.gz MOEFSDHOANJUFV-CBNMVNINSA-N 2 1 328.500 3.540 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463644 1032163640 /nfs/dbraw/zinc/16/36/40/1032163640.db2.gz MOEFSDHOANJUFV-CBNMVNINSA-N 2 1 328.500 3.540 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(Br)cs2)C1 ZINC000060978679 1032275436 /nfs/dbraw/zinc/27/54/36/1032275436.db2.gz XUXJDXGQWQULKE-BETUJISGSA-N 2 1 345.350 3.968 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(Br)cs2)C1 ZINC000060978679 1032275447 /nfs/dbraw/zinc/27/54/47/1032275447.db2.gz XUXJDXGQWQULKE-BETUJISGSA-N 2 1 345.350 3.968 20 0 EHADMP FC(F)(F)[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459597218 1032319414 /nfs/dbraw/zinc/31/94/14/1032319414.db2.gz VTYPXPGKTGMPGV-KRWDZBQOSA-N 2 1 326.406 3.939 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449234780 1032329730 /nfs/dbraw/zinc/32/97/30/1032329730.db2.gz RCRJVZCVGZKOMJ-IRXDYDNUSA-N 2 1 330.520 3.741 20 0 EHADMP C[C@H]([NH2+]Cc1ccnn1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449234780 1032329734 /nfs/dbraw/zinc/32/97/34/1032329734.db2.gz RCRJVZCVGZKOMJ-IRXDYDNUSA-N 2 1 330.520 3.741 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000449216427 1032333318 /nfs/dbraw/zinc/33/33/18/1032333318.db2.gz SDEUROJUNDHSRE-MRXNPFEDSA-N 2 1 338.458 3.569 20 0 EHADMP FC(F)(F)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)CC12CCOCC2 ZINC000459653891 1032377818 /nfs/dbraw/zinc/37/78/18/1032377818.db2.gz DVXNUXDEWVDGCB-INIZCTEOSA-N 2 1 348.453 3.543 20 0 EHADMP FC(F)(F)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CC12CCOCC2 ZINC000459653891 1032377827 /nfs/dbraw/zinc/37/78/27/1032377827.db2.gz DVXNUXDEWVDGCB-INIZCTEOSA-N 2 1 348.453 3.543 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000084658987 1032447492 /nfs/dbraw/zinc/44/74/92/1032447492.db2.gz YRSADQGSUTVNEL-LBPRGKRZSA-N 2 1 332.498 3.802 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000459784589 1032466277 /nfs/dbraw/zinc/46/62/77/1032466277.db2.gz OALQJSLKHJAFTP-HNNXBMFYSA-N 2 1 331.485 3.647 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000449400506 1032522246 /nfs/dbraw/zinc/52/22/46/1032522246.db2.gz JAZAMYDAPKURTM-FUHWJXTLSA-N 2 1 329.513 3.878 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000449400507 1032523135 /nfs/dbraw/zinc/52/31/35/1032523135.db2.gz JAZAMYDAPKURTM-SJLPKXTDSA-N 2 1 329.513 3.878 20 0 EHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000537173966 1032547241 /nfs/dbraw/zinc/54/72/41/1032547241.db2.gz QPLTUTUMSJNVGZ-OAQYLSRUSA-N 2 1 347.547 3.827 20 0 EHADMP CC(C)N1CCc2nc(C[N@H+]3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451595 1032569090 /nfs/dbraw/zinc/56/90/90/1032569090.db2.gz RPPYITYOOBPLHO-ASKKUZCQSA-N 2 1 343.540 3.554 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451595 1032569095 /nfs/dbraw/zinc/56/90/95/1032569095.db2.gz RPPYITYOOBPLHO-ASKKUZCQSA-N 2 1 343.540 3.554 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451595 1032569103 /nfs/dbraw/zinc/56/91/03/1032569103.db2.gz RPPYITYOOBPLHO-ASKKUZCQSA-N 2 1 343.540 3.554 20 0 EHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)sc2C1 ZINC000449451595 1032569108 /nfs/dbraw/zinc/56/91/08/1032569108.db2.gz RPPYITYOOBPLHO-ASKKUZCQSA-N 2 1 343.540 3.554 20 0 EHADMP Cc1sc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)nc1-c1ccccc1 ZINC000090399940 1032565700 /nfs/dbraw/zinc/56/57/00/1032565700.db2.gz PNQYPKYDGDCJGR-YOEHRIQHSA-N 2 1 329.513 3.591 20 0 EHADMP O[C@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090545699 1032586258 /nfs/dbraw/zinc/58/62/58/1032586258.db2.gz XQZFRKVRFQGNQJ-IRLDBZIGSA-N 2 1 344.543 3.614 20 0 EHADMP COc1cc(F)cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090972408 1032608012 /nfs/dbraw/zinc/60/80/12/1032608012.db2.gz QTHXZNIWAHMKJI-UHFFFAOYSA-N 2 1 342.458 3.631 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000449491360 1032659031 /nfs/dbraw/zinc/65/90/31/1032659031.db2.gz GMRZMKPJRXGGNL-INIZCTEOSA-N 2 1 340.433 3.858 20 0 EHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000574087366 1032696993 /nfs/dbraw/zinc/69/69/93/1032696993.db2.gz YROWEHKIAFVQCO-HZPDHXFCSA-N 2 1 343.515 3.744 20 0 EHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000574087366 1032697003 /nfs/dbraw/zinc/69/70/03/1032697003.db2.gz YROWEHKIAFVQCO-HZPDHXFCSA-N 2 1 343.515 3.744 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655691099 1017397876 /nfs/dbraw/zinc/39/78/76/1017397876.db2.gz PFEJLCPOOWDIAQ-YLJYHZDGSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655691099 1017397882 /nfs/dbraw/zinc/39/78/82/1017397882.db2.gz PFEJLCPOOWDIAQ-YLJYHZDGSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCCn3ccnc32)cc1 ZINC000655690162 1017406670 /nfs/dbraw/zinc/40/66/70/1017406670.db2.gz XSQWDZOYTJNRPD-YLJYHZDGSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655690162 1017406682 /nfs/dbraw/zinc/40/66/82/1017406682.db2.gz XSQWDZOYTJNRPD-YLJYHZDGSA-N 2 1 338.499 3.882 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655690162 1017406694 /nfs/dbraw/zinc/40/66/94/1017406694.db2.gz XSQWDZOYTJNRPD-YLJYHZDGSA-N 2 1 338.499 3.882 20 0 EHADMP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000449513930 1032699324 /nfs/dbraw/zinc/69/93/24/1032699324.db2.gz UPFWQSNBLUIOKM-RTWAWAEBSA-N 2 1 332.532 3.530 20 0 EHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000655711894 1017434703 /nfs/dbraw/zinc/43/47/03/1017434703.db2.gz JUOFCIVOGMKZQL-LJQANCHMSA-N 2 1 328.500 3.525 20 0 EHADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)cc1 ZINC000655708104 1017442195 /nfs/dbraw/zinc/44/21/95/1017442195.db2.gz DHZLFIVUXVTUKX-RTWAWAEBSA-N 2 1 328.500 3.761 20 0 EHADMP [NH3+]CCC[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000415044080 1017453364 /nfs/dbraw/zinc/45/33/64/1017453364.db2.gz AECFXLUODVMXFA-LBPRGKRZSA-N 2 1 329.391 3.732 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000655730907 1017486981 /nfs/dbraw/zinc/48/69/81/1017486981.db2.gz VVODTMUFNSEDSO-QGZVFWFLSA-N 2 1 344.478 3.530 20 0 EHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000655730907 1017486992 /nfs/dbraw/zinc/48/69/92/1017486992.db2.gz VVODTMUFNSEDSO-QGZVFWFLSA-N 2 1 344.478 3.530 20 0 EHADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083315 1017525395 /nfs/dbraw/zinc/52/53/95/1017525395.db2.gz NJUGGWKWUBTMJU-IYWMVGAKSA-N 2 1 330.516 3.911 20 0 EHADMP COCc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1F ZINC000415089192 1017536985 /nfs/dbraw/zinc/53/69/85/1017536985.db2.gz YLWNVDBLZVIOOQ-AZUAARDMSA-N 2 1 328.431 3.555 20 0 EHADMP CN1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278812682 1017682589 /nfs/dbraw/zinc/68/25/89/1017682589.db2.gz GTJMBPPIEJTBAV-LJQANCHMSA-N 2 1 332.463 3.595 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340423105 1017728924 /nfs/dbraw/zinc/72/89/24/1017728924.db2.gz CFGGPDFOYARFPD-QFBILLFUSA-N 2 1 330.472 3.659 20 0 EHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000340450139 1017872596 /nfs/dbraw/zinc/87/25/96/1017872596.db2.gz OYVWASSETYUMRU-PBPGXSGUSA-N 2 1 339.483 3.881 20 0 EHADMP c1ccc(N2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122789950 1018079475 /nfs/dbraw/zinc/07/94/75/1018079475.db2.gz RGVIRGGRRRXWLE-UHFFFAOYSA-N 2 1 349.522 3.693 20 0 EHADMP c1ccc(N2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122789950 1018079487 /nfs/dbraw/zinc/07/94/87/1018079487.db2.gz RGVIRGGRRRXWLE-UHFFFAOYSA-N 2 1 349.522 3.693 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000340494644 1018149891 /nfs/dbraw/zinc/14/98/91/1018149891.db2.gz FOPDURLPOCRVFU-MHJFOBGBSA-N 2 1 344.524 3.814 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[C@H]1c1cccs1 ZINC000340520157 1018210037 /nfs/dbraw/zinc/21/00/37/1018210037.db2.gz PBOUCEIYZPPEHL-QDSNELGPSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[C@H]1c1cccs1 ZINC000340520157 1018210046 /nfs/dbraw/zinc/21/00/46/1018210046.db2.gz PBOUCEIYZPPEHL-QDSNELGPSA-N 2 1 346.540 3.678 20 0 EHADMP Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098638 1018475295 /nfs/dbraw/zinc/47/52/95/1018475295.db2.gz QCOZMHSKWCFSHK-LPHOPBHVSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098638 1018475304 /nfs/dbraw/zinc/47/53/04/1018475304.db2.gz QCOZMHSKWCFSHK-LPHOPBHVSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098638 1018475314 /nfs/dbraw/zinc/47/53/14/1018475314.db2.gz QCOZMHSKWCFSHK-LPHOPBHVSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnc1F ZINC000893098638 1018475331 /nfs/dbraw/zinc/47/53/31/1018475331.db2.gz QCOZMHSKWCFSHK-LPHOPBHVSA-N 2 1 327.447 3.672 20 0 EHADMP Cn1c[nH+]cc1CCOc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000664104877 1018782055 /nfs/dbraw/zinc/78/20/55/1018782055.db2.gz OAIYLBVRHKKJET-UHFFFAOYSA-N 2 1 347.462 3.600 20 0 EHADMP Cn1c[nH+]cc1CCOc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000664104877 1018782071 /nfs/dbraw/zinc/78/20/71/1018782071.db2.gz OAIYLBVRHKKJET-UHFFFAOYSA-N 2 1 347.462 3.600 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449558127 1032799811 /nfs/dbraw/zinc/79/98/11/1032799811.db2.gz VUSORYBMWJRQRI-JLYLLQBASA-N 2 1 344.890 3.549 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449558127 1032799828 /nfs/dbraw/zinc/79/98/28/1032799828.db2.gz VUSORYBMWJRQRI-JLYLLQBASA-N 2 1 344.890 3.549 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513223544 1019441776 /nfs/dbraw/zinc/44/17/76/1019441776.db2.gz NAQJQAOKYQFDBE-QUCCMNQESA-N 2 1 332.532 3.960 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513223544 1019441788 /nfs/dbraw/zinc/44/17/88/1019441788.db2.gz NAQJQAOKYQFDBE-QUCCMNQESA-N 2 1 332.532 3.960 20 0 EHADMP COC1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513336002 1019553569 /nfs/dbraw/zinc/55/35/69/1019553569.db2.gz UUZZLSYJVKTKIE-OMZYAQQMSA-N 2 1 330.516 3.834 20 0 EHADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513336002 1019553580 /nfs/dbraw/zinc/55/35/80/1019553580.db2.gz UUZZLSYJVKTKIE-OMZYAQQMSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000513469709 1019724089 /nfs/dbraw/zinc/72/40/89/1019724089.db2.gz RNTAGHFLHCFZLL-PKOBYXMFSA-N 2 1 343.559 3.938 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000513469709 1019724106 /nfs/dbraw/zinc/72/41/06/1019724106.db2.gz RNTAGHFLHCFZLL-PKOBYXMFSA-N 2 1 343.559 3.938 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398150778 1019818173 /nfs/dbraw/zinc/81/81/73/1019818173.db2.gz YUQZVBYILLPDDM-PBASOCQRSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000398150778 1019818188 /nfs/dbraw/zinc/81/81/88/1019818188.db2.gz YUQZVBYILLPDDM-PBASOCQRSA-N 2 1 330.516 3.690 20 0 EHADMP CC[N@@H+](CCOc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000345190390 1020012588 /nfs/dbraw/zinc/01/25/88/1020012588.db2.gz PBSUPSBKDGMSEE-CQSZACIVSA-N 2 1 330.394 3.548 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000580889669 1020195178 /nfs/dbraw/zinc/19/51/78/1020195178.db2.gz ABYDOIBHZHBNOM-YVWKXTFCSA-N 2 1 343.515 3.907 20 0 EHADMP CN(C)C(=O)Sc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000084092181 1020316336 /nfs/dbraw/zinc/31/63/36/1020316336.db2.gz LEZALBLCIXUBFE-QGZVFWFLSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000084092181 1020316346 /nfs/dbraw/zinc/31/63/46/1020316346.db2.gz LEZALBLCIXUBFE-QGZVFWFLSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000084092181 1020316355 /nfs/dbraw/zinc/31/63/55/1020316355.db2.gz LEZALBLCIXUBFE-QGZVFWFLSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000084092181 1020316362 /nfs/dbraw/zinc/31/63/62/1020316362.db2.gz LEZALBLCIXUBFE-QGZVFWFLSA-N 2 1 349.544 3.767 20 0 EHADMP CN(C)C(=O)Sc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000084092181 1020316371 /nfs/dbraw/zinc/31/63/71/1020316371.db2.gz LEZALBLCIXUBFE-QGZVFWFLSA-N 2 1 349.544 3.767 20 0 EHADMP Cc1cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C(C)C ZINC000606901335 1032893210 /nfs/dbraw/zinc/89/32/10/1032893210.db2.gz CFCKGHZXRABMNP-LJQANCHMSA-N 2 1 330.516 3.915 20 0 EHADMP Cc1cc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C(C)C ZINC000606901335 1032893222 /nfs/dbraw/zinc/89/32/22/1032893222.db2.gz CFCKGHZXRABMNP-LJQANCHMSA-N 2 1 330.516 3.915 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280648832 1020535916 /nfs/dbraw/zinc/53/59/16/1020535916.db2.gz NZDGLROTVYLWTG-UHFFFAOYSA-N 2 1 335.455 3.534 20 0 EHADMP C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155490 1020552829 /nfs/dbraw/zinc/55/28/29/1020552829.db2.gz TXVVFJGZXLPBMQ-NOXFTYBFSA-N 2 1 349.522 3.673 20 0 EHADMP C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155490 1020552838 /nfs/dbraw/zinc/55/28/38/1020552838.db2.gz TXVVFJGZXLPBMQ-NOXFTYBFSA-N 2 1 349.522 3.673 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCC3)CCN1Cc1ccccc1 ZINC000656504129 1020759112 /nfs/dbraw/zinc/75/91/12/1020759112.db2.gz DAYBKEFUXJAILJ-YLJYHZDGSA-N 2 1 335.495 3.713 20 0 EHADMP Brc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091268694 1020825419 /nfs/dbraw/zinc/82/54/19/1020825419.db2.gz UNTVPAOKRSIECG-QGZVFWFLSA-N 2 1 335.289 3.653 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c[nH+]c1N1CCCC[C@H]1C ZINC000507422246 1021256104 /nfs/dbraw/zinc/25/61/04/1021256104.db2.gz PBESQUVBNBVJPW-MJQMVNBJSA-N 2 1 330.520 3.909 20 0 EHADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c[nH+]c1N1CCCC[C@H]1C ZINC000507422246 1021256116 /nfs/dbraw/zinc/25/61/16/1021256116.db2.gz PBESQUVBNBVJPW-MJQMVNBJSA-N 2 1 330.520 3.909 20 0 EHADMP Fc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167961313 1021289767 /nfs/dbraw/zinc/28/97/67/1021289767.db2.gz HWLZIRDCZCHLJQ-RGPMPMONSA-N 2 1 330.447 3.644 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167961313 1021289769 /nfs/dbraw/zinc/28/97/69/1021289769.db2.gz HWLZIRDCZCHLJQ-RGPMPMONSA-N 2 1 330.447 3.644 20 0 EHADMP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167961313 1021289771 /nfs/dbraw/zinc/28/97/71/1021289771.db2.gz HWLZIRDCZCHLJQ-RGPMPMONSA-N 2 1 330.447 3.644 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCCOC1 ZINC000507520171 1021327575 /nfs/dbraw/zinc/32/75/75/1021327575.db2.gz NQGKORCANCAWPR-WFXMLNOXSA-N 2 1 330.516 3.966 20 0 EHADMP CCCC[NH+](CCCC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964299 1021332560 /nfs/dbraw/zinc/33/25/60/1021332560.db2.gz OOWQTUAKACOAGH-SEJPIABJSA-N 2 1 335.580 3.884 20 0 EHADMP Cc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961370 1021346532 /nfs/dbraw/zinc/34/65/32/1021346532.db2.gz JDPCNJGAMIDGTI-IHWFROFDSA-N 2 1 328.500 3.759 20 0 EHADMP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC000516519537 1021510082 /nfs/dbraw/zinc/51/00/82/1021510082.db2.gz ULRQESLDVJNUOC-YUMYIRISSA-N 2 1 342.527 3.646 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426422301 1021546259 /nfs/dbraw/zinc/54/62/59/1021546259.db2.gz VFNSUJOAZMZQDG-MSOLQXFVSA-N 2 1 348.531 3.824 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cncc(Br)c1 ZINC000519834936 1021711635 /nfs/dbraw/zinc/71/16/35/1021711635.db2.gz WICJSCGRYTXZDP-LBPRGKRZSA-N 2 1 338.293 3.512 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000519841210 1021719837 /nfs/dbraw/zinc/71/98/37/1021719837.db2.gz KWPNCBCTVWOLME-TYPHKJRUSA-N 2 1 330.516 3.836 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969896 1021902855 /nfs/dbraw/zinc/90/28/55/1021902855.db2.gz KWVQENYCRQGRDJ-QHAWAJNXSA-N 3 1 341.543 3.646 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516969896 1021902863 /nfs/dbraw/zinc/90/28/63/1021902863.db2.gz KWVQENYCRQGRDJ-QHAWAJNXSA-N 2 1 341.543 3.646 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441148268 1022026510 /nfs/dbraw/zinc/02/65/10/1022026510.db2.gz SGVLXTMHMGPUQC-IBGZPJMESA-N 2 1 332.488 3.558 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441148268 1022026527 /nfs/dbraw/zinc/02/65/27/1022026527.db2.gz SGVLXTMHMGPUQC-IBGZPJMESA-N 2 1 332.488 3.558 20 0 EHADMP CC(C)OC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441148268 1022026544 /nfs/dbraw/zinc/02/65/44/1022026544.db2.gz SGVLXTMHMGPUQC-IBGZPJMESA-N 2 1 332.488 3.558 20 0 EHADMP CC(C)OC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441148268 1022026561 /nfs/dbraw/zinc/02/65/61/1022026561.db2.gz SGVLXTMHMGPUQC-IBGZPJMESA-N 2 1 332.488 3.558 20 0 EHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441195536 1022047666 /nfs/dbraw/zinc/04/76/66/1022047666.db2.gz KZZODBMSEHDMQB-STZQEDGTSA-N 2 1 338.495 3.832 20 0 EHADMP Cc1c(C)c(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1C ZINC000441204652 1022062231 /nfs/dbraw/zinc/06/22/31/1022062231.db2.gz NQTDFVDCMCDFCK-BAGYTPMASA-N 2 1 344.543 3.912 20 0 EHADMP CCC(C)(C)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000441317438 1022148161 /nfs/dbraw/zinc/14/81/61/1022148161.db2.gz KLRORTWZEWVHGP-UHFFFAOYSA-N 2 1 331.548 3.562 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C3CC3)cc2F)[C@H](C)C1 ZINC000425914820 1022193529 /nfs/dbraw/zinc/19/35/29/1022193529.db2.gz CISUMMOBPWGQEK-IIBYNOLFSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@H](C)C1 ZINC000425914820 1022193542 /nfs/dbraw/zinc/19/35/42/1022193542.db2.gz CISUMMOBPWGQEK-IIBYNOLFSA-N 2 1 348.506 3.930 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@H](C)C1 ZINC000425914820 1022193554 /nfs/dbraw/zinc/19/35/54/1022193554.db2.gz CISUMMOBPWGQEK-IIBYNOLFSA-N 2 1 348.506 3.930 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438089162 1022371938 /nfs/dbraw/zinc/37/19/38/1022371938.db2.gz TYKSFBRMGRRDTN-OTWHNJEPSA-N 2 1 330.516 3.681 20 0 EHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976891 1022409405 /nfs/dbraw/zinc/40/94/05/1022409405.db2.gz VTIXIPOHOZOBBN-HOTGVXAUSA-N 2 1 345.512 3.923 20 0 EHADMP c1ccc(CO[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995507 1022443443 /nfs/dbraw/zinc/44/34/43/1022443443.db2.gz IABHMENOUNGGDC-PJEZACDQSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(CO[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167995507 1022443451 /nfs/dbraw/zinc/44/34/51/1022443451.db2.gz IABHMENOUNGGDC-PJEZACDQSA-N 2 1 340.511 3.683 20 0 EHADMP c1ccc(CO[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995507 1022443457 /nfs/dbraw/zinc/44/34/57/1022443457.db2.gz IABHMENOUNGGDC-PJEZACDQSA-N 2 1 340.511 3.683 20 0 EHADMP CC(C)n1ccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471833556 1022477406 /nfs/dbraw/zinc/47/74/06/1022477406.db2.gz CUUIXEWBPFYXCI-WOJBJXKFSA-N 2 1 340.515 3.636 20 0 EHADMP CC(C)n1ccnc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471833556 1022477411 /nfs/dbraw/zinc/47/74/11/1022477411.db2.gz CUUIXEWBPFYXCI-WOJBJXKFSA-N 2 1 340.515 3.636 20 0 EHADMP COc1ncccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167975526 1022629974 /nfs/dbraw/zinc/62/99/74/1022629974.db2.gz RANGBBJEKXXXCM-DLZDZTESSA-N 2 1 341.499 3.536 20 0 EHADMP COc1ncccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167975526 1022629981 /nfs/dbraw/zinc/62/99/81/1022629981.db2.gz RANGBBJEKXXXCM-DLZDZTESSA-N 2 1 341.499 3.536 20 0 EHADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430723661 1022631737 /nfs/dbraw/zinc/63/17/37/1022631737.db2.gz SRMMZWOABGHGER-LSBZLQRGSA-N 2 1 330.520 3.867 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414934638 1022771172 /nfs/dbraw/zinc/77/11/72/1022771172.db2.gz FJERMYSZXNWDOE-BBRMVZONSA-N 2 1 340.895 3.615 20 0 EHADMP COCc1c(C)cc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC000894747615 1022832217 /nfs/dbraw/zinc/83/22/17/1022832217.db2.gz BUCVVQBWGFLHRZ-DFNIBXOVSA-N 2 1 330.516 3.815 20 0 EHADMP COCc1c(C)cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000894747615 1022832227 /nfs/dbraw/zinc/83/22/27/1022832227.db2.gz BUCVVQBWGFLHRZ-DFNIBXOVSA-N 2 1 330.516 3.815 20 0 EHADMP COCc1c(C)cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000894747615 1022832252 /nfs/dbraw/zinc/83/22/52/1022832252.db2.gz BUCVVQBWGFLHRZ-DFNIBXOVSA-N 2 1 330.516 3.815 20 0 EHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000925079092 1022837903 /nfs/dbraw/zinc/83/79/03/1022837903.db2.gz DUUREJGURWRBNB-AMZMEHNNSA-N 2 1 328.500 3.759 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)CC2)cs1 ZINC000527658206 1033094093 /nfs/dbraw/zinc/09/40/93/1033094093.db2.gz SAYISZGZURPATF-JVPBZIDWSA-N 2 1 347.572 3.942 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430961824 1022979859 /nfs/dbraw/zinc/97/98/59/1022979859.db2.gz OZYBPOZXXVIIDJ-LSDHHAIUSA-N 2 1 344.421 3.924 20 0 EHADMP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]c2ccc(Br)cc21 ZINC000607355428 1033102092 /nfs/dbraw/zinc/10/20/92/1033102092.db2.gz HOLZBWJGXUUMPJ-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2ccc(Br)cc21 ZINC000607355428 1033102101 /nfs/dbraw/zinc/10/21/01/1033102101.db2.gz HOLZBWJGXUUMPJ-CYBMUJFWSA-N 2 1 348.288 3.775 20 0 EHADMP C[C@@H]1C[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000414959174 1023066699 /nfs/dbraw/zinc/06/66/99/1023066699.db2.gz RXRVWJAEACQFAG-AAIMPIBUSA-N 2 1 349.522 3.516 20 0 EHADMP Cc1cnn(CCCCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448749 1023167352 /nfs/dbraw/zinc/16/73/52/1023167352.db2.gz UUQTXHXIFARTMN-NHCUHLMSSA-N 2 1 346.563 3.948 20 0 EHADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448749 1023167355 /nfs/dbraw/zinc/16/73/55/1023167355.db2.gz UUQTXHXIFARTMN-NHCUHLMSSA-N 2 1 346.563 3.948 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC000518267649 1023177297 /nfs/dbraw/zinc/17/72/97/1023177297.db2.gz PVWVZKPWCUUIQY-TWGQIWQCSA-N 2 1 349.522 3.627 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000507217489 1023193724 /nfs/dbraw/zinc/19/37/24/1023193724.db2.gz WYUAVLYBHMQHRN-UHFFFAOYSA-N 2 1 341.590 3.950 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000507217489 1023193728 /nfs/dbraw/zinc/19/37/28/1023193728.db2.gz WYUAVLYBHMQHRN-UHFFFAOYSA-N 2 1 341.590 3.950 20 0 EHADMP Fc1ccc(C(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000427120747 1023231084 /nfs/dbraw/zinc/23/10/84/1023231084.db2.gz DZAKOFCOELRVQI-UWJYYQICSA-N 2 1 342.433 3.781 20 0 EHADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481579 1023475842 /nfs/dbraw/zinc/47/58/42/1023475842.db2.gz PGFDQHSTHKFTAK-DWLFOUALSA-N 2 1 338.495 3.529 20 0 EHADMP C[C@H]1CC2(CC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776726 1033163256 /nfs/dbraw/zinc/16/32/56/1033163256.db2.gz VJUGNNUTCBIVFF-GUSVMJMASA-N 2 1 340.511 3.731 20 0 EHADMP C[C@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776726 1033163263 /nfs/dbraw/zinc/16/32/63/1033163263.db2.gz VJUGNNUTCBIVFF-GUSVMJMASA-N 2 1 340.511 3.731 20 0 EHADMP O=C1CCC2(CC1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168001959 1023991654 /nfs/dbraw/zinc/99/16/54/1023991654.db2.gz ARVCWMLTTUAKCN-DFNIBXOVSA-N 2 1 330.516 3.617 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000514010335 1024034920 /nfs/dbraw/zinc/03/49/20/1024034920.db2.gz XMTHGQYKAKSPQC-UHFFFAOYSA-N 2 1 325.294 3.754 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000514010335 1024034908 /nfs/dbraw/zinc/03/49/08/1024034908.db2.gz XMTHGQYKAKSPQC-UHFFFAOYSA-N 2 1 325.294 3.754 20 0 EHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000522546427 1024056134 /nfs/dbraw/zinc/05/61/34/1024056134.db2.gz LXMPBZDKOUZBSL-CZUORRHYSA-N 2 1 339.911 3.623 20 0 EHADMP CCOC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000474096549 1024153969 /nfs/dbraw/zinc/15/39/69/1024153969.db2.gz NALNCTSBWBKPEH-BURNTYAHSA-N 2 1 330.516 3.548 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000277203502 1024209275 /nfs/dbraw/zinc/20/92/75/1024209275.db2.gz MRSMLXGPARKDJY-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000277203502 1024209288 /nfs/dbraw/zinc/20/92/88/1024209288.db2.gz MRSMLXGPARKDJY-FQEVSTJZSA-N 2 1 339.483 3.577 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000514220938 1024232429 /nfs/dbraw/zinc/23/24/29/1024232429.db2.gz DDSDIFARDLUCDE-GCJKJVERSA-N 2 1 337.511 3.753 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)s1 ZINC000449775657 1033196946 /nfs/dbraw/zinc/19/69/46/1033196946.db2.gz NCCPRZUGAMOOBZ-IBGZPJMESA-N 2 1 329.513 3.706 20 0 EHADMP C[C@@H]1CC([NH2+]CCC2CC[NH+](C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168004942 1024262978 /nfs/dbraw/zinc/26/29/78/1024262978.db2.gz CKOSXUIRXVDCLB-RTBURBONSA-N 2 1 343.559 3.750 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427609321 1024293256 /nfs/dbraw/zinc/29/32/56/1024293256.db2.gz MUCBKCKYLHRLCD-CJNGLKHVSA-N 2 1 341.421 3.799 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427609321 1024293274 /nfs/dbraw/zinc/29/32/74/1024293274.db2.gz MUCBKCKYLHRLCD-CJNGLKHVSA-N 2 1 341.421 3.799 20 0 EHADMP Fc1ccc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000434746795 1024396595 /nfs/dbraw/zinc/39/65/95/1024396595.db2.gz OBDPUMAIXKLFLL-UHFFFAOYSA-N 2 1 345.437 3.920 20 0 EHADMP COc1cc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC001168005959 1024396554 /nfs/dbraw/zinc/39/65/54/1024396554.db2.gz LTZHYRNMDLHSAB-IAGOWNOFSA-N 2 1 339.483 3.621 20 0 EHADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCC1 ZINC000657886366 1033213295 /nfs/dbraw/zinc/21/32/95/1033213295.db2.gz FEEVYPAJQFHFLB-KRWDZBQOSA-N 2 1 342.483 3.959 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665163284 1024503285 /nfs/dbraw/zinc/50/32/85/1024503285.db2.gz ODJAMLAYTXUVNN-KRWDZBQOSA-N 2 1 348.535 3.512 20 0 EHADMP Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665163284 1024503292 /nfs/dbraw/zinc/50/32/92/1024503292.db2.gz ODJAMLAYTXUVNN-KRWDZBQOSA-N 2 1 348.535 3.512 20 0 EHADMP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)c(SC)cc1OC ZINC000414860165 1024524140 /nfs/dbraw/zinc/52/41/40/1024524140.db2.gz OLRXPQBGROKDEA-UHFFFAOYSA-N 2 1 338.517 3.567 20 0 EHADMP CC[N@H+](Cc1cnc(F)cc1C)CC1CCN(c2ccccn2)CC1 ZINC000892090200 1024646434 /nfs/dbraw/zinc/64/64/34/1024646434.db2.gz ZUBYTLBQHBUZOK-UHFFFAOYSA-N 2 1 342.462 3.663 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435370107 1024854012 /nfs/dbraw/zinc/85/40/12/1024854012.db2.gz HSMVDVNFINLUSU-MRXNPFEDSA-N 2 1 346.906 3.574 20 0 EHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435370107 1024854031 /nfs/dbraw/zinc/85/40/31/1024854031.db2.gz HSMVDVNFINLUSU-MRXNPFEDSA-N 2 1 346.906 3.574 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C[C@@H]12 ZINC000435386762 1024868646 /nfs/dbraw/zinc/86/86/46/1024868646.db2.gz YFLGXTCBXIDIRC-NWANDNLSSA-N 2 1 339.464 3.725 20 0 EHADMP C[C@@H]1CC(N[C@]2(C)CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033872 1024877463 /nfs/dbraw/zinc/87/74/63/1024877463.db2.gz MSERYKUBFFCACY-DBXWQHBBSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1CC([NH2+][C@]2(C)CCCN(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033872 1024877469 /nfs/dbraw/zinc/87/74/69/1024877469.db2.gz MSERYKUBFFCACY-DBXWQHBBSA-N 2 1 329.532 3.502 20 0 EHADMP CCOc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435390885 1024877783 /nfs/dbraw/zinc/87/77/83/1024877783.db2.gz QQQBCJWZTRYDFC-HNNXBMFYSA-N 2 1 340.895 3.711 20 0 EHADMP CC(C)[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000474391901 1024879235 /nfs/dbraw/zinc/87/92/35/1024879235.db2.gz UTURNNNESSXEBN-IVAOSVALSA-N 2 1 330.516 3.610 20 0 EHADMP Fc1ccc(Oc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000657307650 1024897081 /nfs/dbraw/zinc/89/70/81/1024897081.db2.gz SIUZCJAVHCZNNH-INIZCTEOSA-N 2 1 341.430 3.587 20 0 EHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000665254870 1024958982 /nfs/dbraw/zinc/95/89/82/1024958982.db2.gz AUHQNZXBQMCWSX-YSSFQJQWSA-N 2 1 348.556 3.652 20 0 EHADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)C ZINC000511053930 1024975385 /nfs/dbraw/zinc/97/53/85/1024975385.db2.gz HRXGBUCHLYBLOX-BURNTYAHSA-N 2 1 344.543 3.938 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657313078 1025002706 /nfs/dbraw/zinc/00/27/06/1025002706.db2.gz HEVSMPMBZKDQIF-ZWKOTPCHSA-N 2 1 327.497 3.835 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657313078 1025002716 /nfs/dbraw/zinc/00/27/16/1025002716.db2.gz HEVSMPMBZKDQIF-ZWKOTPCHSA-N 2 1 327.497 3.835 20 0 EHADMP CCOc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346682728 1025003442 /nfs/dbraw/zinc/00/34/42/1025003442.db2.gz PLFJHSQKNGMNAN-OAHLLOKOSA-N 2 1 328.884 3.553 20 0 EHADMP CCOc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000346682728 1025003451 /nfs/dbraw/zinc/00/34/51/1025003451.db2.gz PLFJHSQKNGMNAN-OAHLLOKOSA-N 2 1 328.884 3.553 20 0 EHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000281465867 1025074674 /nfs/dbraw/zinc/07/46/74/1025074674.db2.gz FADUFXUJSZQHDQ-HIFRSBDPSA-N 2 1 337.389 3.685 20 0 EHADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966519 1033260933 /nfs/dbraw/zinc/26/09/33/1033260933.db2.gz DHKZVOXGQHJLHO-GHTZIAJQSA-N 2 1 335.495 3.799 20 0 EHADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897966519 1033260944 /nfs/dbraw/zinc/26/09/44/1033260944.db2.gz DHKZVOXGQHJLHO-GHTZIAJQSA-N 2 1 335.495 3.799 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cc1 ZINC000346795631 1025142163 /nfs/dbraw/zinc/14/21/63/1025142163.db2.gz NTQWYAKDYGFQDK-MGPUTAFESA-N 2 1 333.435 3.835 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3C[C@H](c4ccccc4)C3)sc2C1 ZINC000435778336 1025144947 /nfs/dbraw/zinc/14/49/47/1025144947.db2.gz LMHKXKGMDZYXBW-QAQDUYKDSA-N 2 1 341.524 3.945 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3C[C@H](c4ccccc4)C3)sc2C1 ZINC000435778336 1025144955 /nfs/dbraw/zinc/14/49/55/1025144955.db2.gz LMHKXKGMDZYXBW-QAQDUYKDSA-N 2 1 341.524 3.945 20 0 EHADMP C[NH2+]CCC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000435880942 1025185806 /nfs/dbraw/zinc/18/58/06/1025185806.db2.gz RQXLOGYNIFFYIL-CYBMUJFWSA-N 2 1 329.307 3.527 20 0 EHADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000435880942 1025185811 /nfs/dbraw/zinc/18/58/11/1025185811.db2.gz RQXLOGYNIFFYIL-CYBMUJFWSA-N 2 1 329.307 3.527 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000431353511 1025218943 /nfs/dbraw/zinc/21/89/43/1025218943.db2.gz WKAIYMZKJIOHNE-OXJNMPFZSA-N 2 1 328.500 3.711 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](O)[C@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039227 1025222735 /nfs/dbraw/zinc/22/27/35/1025222735.db2.gz CJWLWFSBTWDPCK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](O)[C@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039227 1025222736 /nfs/dbraw/zinc/22/27/36/1025222736.db2.gz CJWLWFSBTWDPCK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039227 1025222738 /nfs/dbraw/zinc/22/27/38/1025222738.db2.gz CJWLWFSBTWDPCK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](O)[C@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039227 1025222740 /nfs/dbraw/zinc/22/27/40/1025222740.db2.gz CJWLWFSBTWDPCK-BBPUYGCGSA-N 2 1 330.516 3.521 20 0 EHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000474637133 1025256396 /nfs/dbraw/zinc/25/63/96/1025256396.db2.gz WHNMROYUYHBUAF-JENIJYKNSA-N 2 1 336.545 3.755 20 0 EHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000474637133 1025256403 /nfs/dbraw/zinc/25/64/03/1025256403.db2.gz WHNMROYUYHBUAF-JENIJYKNSA-N 2 1 336.545 3.755 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267928 1025306464 /nfs/dbraw/zinc/30/64/64/1025306464.db2.gz NSJONCCSTBLENS-FDFHNCONSA-N 2 1 338.495 3.669 20 0 EHADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000453267928 1025306476 /nfs/dbraw/zinc/30/64/76/1025306476.db2.gz NSJONCCSTBLENS-FDFHNCONSA-N 2 1 338.495 3.669 20 0 EHADMP c1nc(C2CCCCC2)sc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000582109705 1025312823 /nfs/dbraw/zinc/31/28/23/1025312823.db2.gz LLPTYYNAXSRBRZ-UHFFFAOYSA-N 2 1 344.528 3.855 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000158022550 1025323867 /nfs/dbraw/zinc/32/38/67/1025323867.db2.gz NRXBEZCUUVLMPH-QZTJIDSGSA-N 2 1 348.531 3.666 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C)c1 ZINC000436047217 1025329200 /nfs/dbraw/zinc/32/92/00/1025329200.db2.gz ILENKOOZPYDXDP-IRXDYDNUSA-N 2 1 329.513 3.933 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C)c1 ZINC000436047217 1025329211 /nfs/dbraw/zinc/32/92/11/1025329211.db2.gz ILENKOOZPYDXDP-IRXDYDNUSA-N 2 1 329.513 3.933 20 0 EHADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000607735421 1033274660 /nfs/dbraw/zinc/27/46/60/1033274660.db2.gz RIEAXEFKFVZUHT-AWEZNQCLSA-N 2 1 343.298 3.790 20 0 EHADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000607735421 1033274666 /nfs/dbraw/zinc/27/46/66/1033274666.db2.gz RIEAXEFKFVZUHT-AWEZNQCLSA-N 2 1 343.298 3.790 20 0 EHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000346938077 1025330745 /nfs/dbraw/zinc/33/07/45/1025330745.db2.gz HQAACUJLAYFJPK-CABCVRRESA-N 2 1 342.487 3.525 20 0 EHADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000436058241 1025335184 /nfs/dbraw/zinc/33/51/84/1025335184.db2.gz XWSHGDHWDCYUSJ-QFBILLFUSA-N 2 1 341.524 3.941 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000436058241 1025335202 /nfs/dbraw/zinc/33/52/02/1025335202.db2.gz XWSHGDHWDCYUSJ-QFBILLFUSA-N 2 1 341.524 3.941 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@@](C)(CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040778 1025337271 /nfs/dbraw/zinc/33/72/71/1025337271.db2.gz PBFDFEZWPCCCGX-WOIUINJBSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474037403 1025428688 /nfs/dbraw/zinc/42/86/88/1025428688.db2.gz QOLGJFYTHRIFSZ-OWCLPIDISA-N 2 1 332.479 3.679 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H](C)C1 ZINC000442784374 1025475890 /nfs/dbraw/zinc/47/58/90/1025475890.db2.gz VTTMQTCIRYYAOK-OTBWCIGPSA-N 2 1 332.479 3.537 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530214894 1025507947 /nfs/dbraw/zinc/50/79/47/1025507947.db2.gz DJGSCGLNUPBJRX-VHSXEESVSA-N 2 1 333.220 3.520 20 0 EHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000436269121 1025539847 /nfs/dbraw/zinc/53/98/47/1025539847.db2.gz JKNMPTKEUJHVIN-KRWDZBQOSA-N 2 1 339.483 3.754 20 0 EHADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442876691 1025557432 /nfs/dbraw/zinc/55/74/32/1025557432.db2.gz VQPDUWZXFWMCTI-SFHVURJKSA-N 2 1 337.939 3.797 20 0 EHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880977 1025560209 /nfs/dbraw/zinc/56/02/09/1025560209.db2.gz YNFAONVZWKLLGH-MOPGFXCFSA-N 2 1 349.950 3.592 20 0 EHADMP CC[NH2+]CC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000347155109 1025587498 /nfs/dbraw/zinc/58/74/98/1025587498.db2.gz CJZLPHQVSKNXBZ-UHFFFAOYSA-N 2 1 345.512 3.544 20 0 EHADMP CCC[N@H+](Cc1ccc(-c2ccncc2)cc1F)C1CC[NH2+]CC1 ZINC000347158800 1025592205 /nfs/dbraw/zinc/59/22/05/1025592205.db2.gz FLNIWAYOSLSDSX-UHFFFAOYSA-N 2 1 327.447 3.852 20 0 EHADMP CCC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C1CC[NH2+]CC1 ZINC000347158800 1025592213 /nfs/dbraw/zinc/59/22/13/1025592213.db2.gz FLNIWAYOSLSDSX-UHFFFAOYSA-N 2 1 327.447 3.852 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000414883749 1025685308 /nfs/dbraw/zinc/68/53/08/1025685308.db2.gz NKMBWLZQVBPFOX-JKLQHZFJSA-N 2 1 336.479 3.534 20 0 EHADMP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443059086 1025692631 /nfs/dbraw/zinc/69/26/31/1025692631.db2.gz LZOGWVGYKHEJNL-OAHLLOKOSA-N 2 1 345.512 3.770 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000892235307 1025701299 /nfs/dbraw/zinc/70/12/99/1025701299.db2.gz VLVYFOFYAJFNAG-OKZBNKHCSA-N 2 1 334.504 3.569 20 0 EHADMP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000892235307 1025701313 /nfs/dbraw/zinc/70/13/13/1025701313.db2.gz VLVYFOFYAJFNAG-OKZBNKHCSA-N 2 1 334.504 3.569 20 0 EHADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000436468755 1025759279 /nfs/dbraw/zinc/75/92/79/1025759279.db2.gz HVYQGXXPZHVJTM-JRGCBEDISA-N 2 1 328.500 3.554 20 0 EHADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000436468752 1025759466 /nfs/dbraw/zinc/75/94/66/1025759466.db2.gz HVYQGXXPZHVJTM-DUXKGJEZSA-N 2 1 328.500 3.554 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000121773294 1025765346 /nfs/dbraw/zinc/76/53/46/1025765346.db2.gz ANWGVNOYKLJRAB-UHFFFAOYSA-N 2 1 339.483 3.588 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CCC1 ZINC000414886519 1025809639 /nfs/dbraw/zinc/80/96/39/1025809639.db2.gz YHNZVBJELUQFSZ-UHFFFAOYSA-N 2 1 346.478 3.569 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000443207138 1025813124 /nfs/dbraw/zinc/81/31/24/1025813124.db2.gz YGASAKVDSDJUPP-WOPDTQHZSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)s1 ZINC000443207138 1025813133 /nfs/dbraw/zinc/81/31/33/1025813133.db2.gz YGASAKVDSDJUPP-WOPDTQHZSA-N 2 1 329.307 3.788 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1C ZINC000281982480 1025844961 /nfs/dbraw/zinc/84/49/61/1025844961.db2.gz BZUZUJSMYDAKIS-KRWDZBQOSA-N 2 1 326.488 3.565 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168015576 1025859388 /nfs/dbraw/zinc/85/93/88/1025859388.db2.gz RNELKFVDTZXRCH-WOKRCIATSA-N 3 1 329.532 3.630 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C2CCC([NH3+])CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015576 1025859402 /nfs/dbraw/zinc/85/94/02/1025859402.db2.gz RNELKFVDTZXRCH-WOKRCIATSA-N 3 1 329.532 3.630 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)C2CCC([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015576 1025859425 /nfs/dbraw/zinc/85/94/25/1025859425.db2.gz RNELKFVDTZXRCH-WOKRCIATSA-N 3 1 329.532 3.630 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015576 1025859442 /nfs/dbraw/zinc/85/94/42/1025859442.db2.gz RNELKFVDTZXRCH-WOKRCIATSA-N 3 1 329.532 3.630 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015576 1025859461 /nfs/dbraw/zinc/85/94/61/1025859461.db2.gz RNELKFVDTZXRCH-WOKRCIATSA-N 3 1 329.532 3.630 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccccc2O)CC1 ZINC000559894209 1025964881 /nfs/dbraw/zinc/96/48/81/1025964881.db2.gz NOCKYYFNLCOSHJ-UHFFFAOYSA-N 2 1 338.495 3.968 20 0 EHADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC001168016845 1026037100 /nfs/dbraw/zinc/03/71/00/1026037100.db2.gz WDDSSOPZKYOXKA-OPVJXMOQSA-N 2 1 325.500 3.865 20 0 EHADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1nc(-c2ccccc2)cs1 ZINC000152469190 1026171496 /nfs/dbraw/zinc/17/14/96/1026171496.db2.gz QOHZWJBZUQPEIH-LSDHHAIUSA-N 2 1 327.497 3.945 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2C(F)(F)F)CC1 ZINC000530663493 1026196362 /nfs/dbraw/zinc/19/63/62/1026196362.db2.gz QNFGCKYOXXNWEV-UHFFFAOYSA-N 2 1 344.421 3.890 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000475189975 1026319479 /nfs/dbraw/zinc/31/94/79/1026319479.db2.gz DDFHBLPCVGKGMU-BRWVUGGUSA-N 2 1 338.923 3.923 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000475189975 1026319487 /nfs/dbraw/zinc/31/94/87/1026319487.db2.gz DDFHBLPCVGKGMU-BRWVUGGUSA-N 2 1 338.923 3.923 20 0 EHADMP FC(F)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000475208939 1026388541 /nfs/dbraw/zinc/38/85/41/1026388541.db2.gz BMQGRYSUIWPKTA-KZNAEPCWSA-N 2 1 334.454 3.922 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000475315261 1026473079 /nfs/dbraw/zinc/47/30/79/1026473079.db2.gz JWQFOWGDJOGJNS-GKJHBJHPSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)[C@@H]1COCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061320 1026478589 /nfs/dbraw/zinc/47/85/89/1026478589.db2.gz HSQQKHCASZRTIT-WFXMLNOXSA-N 2 1 330.516 3.785 20 0 EHADMP CC(C)[C@@H]1COCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061320 1026478592 /nfs/dbraw/zinc/47/85/92/1026478592.db2.gz HSQQKHCASZRTIT-WFXMLNOXSA-N 2 1 330.516 3.785 20 0 EHADMP Cc1ccc(C)c(OCCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000475355514 1026509366 /nfs/dbraw/zinc/50/93/66/1026509366.db2.gz OXRFWEQWMJBWTN-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475355514 1026509371 /nfs/dbraw/zinc/50/93/71/1026509371.db2.gz OXRFWEQWMJBWTN-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000475355514 1026509376 /nfs/dbraw/zinc/50/93/76/1026509376.db2.gz OXRFWEQWMJBWTN-HXUWFJFHSA-N 2 1 330.516 3.736 20 0 EHADMP C[C@@H]1CC([N@@H+]2CCC[C@H](CCO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065485 1026645533 /nfs/dbraw/zinc/64/55/33/1026645533.db2.gz WTSUGVYPEANJFA-QWFCFKBJSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CC([N@H+]2CCC[C@H](CCO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065485 1026645542 /nfs/dbraw/zinc/64/55/42/1026645542.db2.gz WTSUGVYPEANJFA-QWFCFKBJSA-N 2 1 330.516 3.522 20 0 EHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)c1OC ZINC000531191644 1026663219 /nfs/dbraw/zinc/66/32/19/1026663219.db2.gz QDNWRJNFDIPAJJ-MSOLQXFVSA-N 2 1 334.504 3.694 20 0 EHADMP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000564407767 1026717664 /nfs/dbraw/zinc/71/76/64/1026717664.db2.gz LUOVRXMEAWVOQP-HKUYNNGSSA-N 2 1 328.500 3.601 20 0 EHADMP CC(C)c1[nH+]c(CNC2CC[NH+](C3CCC3)CC2)c2ccccn21 ZINC000582608644 1026731550 /nfs/dbraw/zinc/73/15/50/1026731550.db2.gz IYAAJOSCGLUXNS-UHFFFAOYSA-N 2 1 326.488 3.564 20 0 EHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000305710989 1026923603 /nfs/dbraw/zinc/92/36/03/1026923603.db2.gz FIGJPQYWGQHSNU-SQNIBIBYSA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000305710989 1026923607 /nfs/dbraw/zinc/92/36/07/1026923607.db2.gz FIGJPQYWGQHSNU-SQNIBIBYSA-N 2 1 336.545 3.901 20 0 EHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000305710989 1026923611 /nfs/dbraw/zinc/92/36/11/1026923611.db2.gz FIGJPQYWGQHSNU-SQNIBIBYSA-N 2 1 336.545 3.901 20 0 EHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598531 1026937241 /nfs/dbraw/zinc/93/72/41/1026937241.db2.gz ICZVTUDIRAPCGQ-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598531 1026937246 /nfs/dbraw/zinc/93/72/46/1026937246.db2.gz ICZVTUDIRAPCGQ-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598531 1026937250 /nfs/dbraw/zinc/93/72/50/1026937250.db2.gz ICZVTUDIRAPCGQ-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001167598531 1026937256 /nfs/dbraw/zinc/93/72/56/1026937256.db2.gz ICZVTUDIRAPCGQ-HNNXBMFYSA-N 2 1 340.870 3.522 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000060947976 1027020050 /nfs/dbraw/zinc/02/00/50/1027020050.db2.gz PMWDRYVQPDXWEZ-GASCZTMLSA-N 2 1 326.431 3.746 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000060947976 1027020056 /nfs/dbraw/zinc/02/00/56/1027020056.db2.gz PMWDRYVQPDXWEZ-GASCZTMLSA-N 2 1 326.431 3.746 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc(C)n1 ZINC000302059658 1027039312 /nfs/dbraw/zinc/03/93/12/1027039312.db2.gz BFSJYPWTVIJKNZ-RDTXWAMCSA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059658 1027039318 /nfs/dbraw/zinc/03/93/18/1027039318.db2.gz BFSJYPWTVIJKNZ-RDTXWAMCSA-N 2 1 330.501 3.904 20 0 EHADMP CCc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc(C)[nH+]1 ZINC000302059658 1027039323 /nfs/dbraw/zinc/03/93/23/1027039323.db2.gz BFSJYPWTVIJKNZ-RDTXWAMCSA-N 2 1 330.501 3.904 20 0 EHADMP Cc1ccc2[nH+]ccc(N3CCC[N@H+](Cc4cscn4)CC3)c2c1 ZINC000302157845 1027074347 /nfs/dbraw/zinc/07/43/47/1027074347.db2.gz NQGLIMMOIBQARR-UHFFFAOYSA-N 2 1 338.480 3.712 20 0 EHADMP Cc1ccc2[nH+]ccc(N3CCC[N@@H+](Cc4cscn4)CC3)c2c1 ZINC000302157845 1027074364 /nfs/dbraw/zinc/07/43/64/1027074364.db2.gz NQGLIMMOIBQARR-UHFFFAOYSA-N 2 1 338.480 3.712 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000513712772 1027223764 /nfs/dbraw/zinc/22/37/64/1027223764.db2.gz FMQLLZUMZRAMKG-YTFSRNRJSA-N 2 1 349.522 3.905 20 0 EHADMP CC1([NH3+])CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000647925306 1027259709 /nfs/dbraw/zinc/25/97/09/1027259709.db2.gz CNDLETTWLWYQER-UHFFFAOYSA-N 2 1 328.431 3.718 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000531725424 1027274611 /nfs/dbraw/zinc/27/46/11/1027274611.db2.gz VMABSVZVCFDYDQ-AOIWGVFYSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000531725424 1027274627 /nfs/dbraw/zinc/27/46/27/1027274627.db2.gz VMABSVZVCFDYDQ-AOIWGVFYSA-N 2 1 336.545 3.926 20 0 EHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](CCC)CC2)cc1OC ZINC000061016469 1027279902 /nfs/dbraw/zinc/27/99/02/1027279902.db2.gz BEACVJPXCVMZTN-UHFFFAOYSA-N 2 1 334.504 3.838 20 0 EHADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000273150859 1027286046 /nfs/dbraw/zinc/28/60/46/1027286046.db2.gz HQGVNGCWMBVJJN-PKOBYXMFSA-N 2 1 348.506 3.627 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453073391 1027287565 /nfs/dbraw/zinc/28/75/65/1027287565.db2.gz QSQLDVZCKNPJSW-TYPHKJRUSA-N 2 1 339.483 3.824 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453073391 1027287579 /nfs/dbraw/zinc/28/75/79/1027287579.db2.gz QSQLDVZCKNPJSW-TYPHKJRUSA-N 2 1 339.483 3.824 20 0 EHADMP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657563342 1027301104 /nfs/dbraw/zinc/30/11/04/1027301104.db2.gz MNCGJAQPTTZNKU-IBGZPJMESA-N 2 1 349.950 3.767 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657563342 1027301123 /nfs/dbraw/zinc/30/11/23/1027301123.db2.gz MNCGJAQPTTZNKU-IBGZPJMESA-N 2 1 349.950 3.767 20 0 EHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(-c2ccccc2)nn1C ZINC000453097567 1027320815 /nfs/dbraw/zinc/32/08/15/1027320815.db2.gz UMIUKBXCXOZHEP-QGZVFWFLSA-N 2 1 326.488 3.614 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000453082861 1027340706 /nfs/dbraw/zinc/34/07/06/1027340706.db2.gz RJPWVBLPPXOCOZ-WOZUAGRISA-N 2 1 328.500 3.588 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000453116690 1027390764 /nfs/dbraw/zinc/39/07/64/1027390764.db2.gz YIPPNCWGILRLJP-AQNXPRMDSA-N 2 1 341.524 3.984 20 0 EHADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000453116690 1027390782 /nfs/dbraw/zinc/39/07/82/1027390782.db2.gz YIPPNCWGILRLJP-AQNXPRMDSA-N 2 1 341.524 3.984 20 0 EHADMP CCC[N@H+](Cc1ccc(Br)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836824 1125032855 /nfs/dbraw/zinc/03/28/55/1125032855.db2.gz YIBNXYBFCRKSBN-AWEZNQCLSA-N 2 1 325.294 3.579 20 0 EHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296027 1027435169 /nfs/dbraw/zinc/43/51/69/1027435169.db2.gz WLORXNAPMWOENO-GOEBONIOSA-N 2 1 344.890 3.665 20 0 EHADMP Cc1cc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000453131773 1027435499 /nfs/dbraw/zinc/43/54/99/1027435499.db2.gz TUOBLLBJRUVHEA-FFZOFVMBSA-N 2 1 344.524 3.590 20 0 EHADMP Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000453131773 1027435509 /nfs/dbraw/zinc/43/55/09/1027435509.db2.gz TUOBLLBJRUVHEA-FFZOFVMBSA-N 2 1 344.524 3.590 20 0 EHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420300155 1027449951 /nfs/dbraw/zinc/44/99/51/1027449951.db2.gz HJCGBHVWEPCEGN-LJQANCHMSA-N 2 1 340.515 3.619 20 0 EHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420311138 1027456457 /nfs/dbraw/zinc/45/64/57/1027456457.db2.gz NGPCWDGYVBEHFW-HNNXBMFYSA-N 2 1 344.455 3.574 20 0 EHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420311138 1027456462 /nfs/dbraw/zinc/45/64/62/1027456462.db2.gz NGPCWDGYVBEHFW-HNNXBMFYSA-N 2 1 344.455 3.574 20 0 EHADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCC(F)(F)C1 ZINC000420312666 1027460776 /nfs/dbraw/zinc/46/07/76/1027460776.db2.gz ORDJTKSSSGGUSQ-HUUCEWRRSA-N 2 1 343.487 3.689 20 0 EHADMP Clc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420315561 1027463908 /nfs/dbraw/zinc/46/39/08/1027463908.db2.gz KXJVTETZQJASQA-KBXCAEBGSA-N 2 1 344.890 3.867 20 0 EHADMP C[C@@H]1CCC[C@@H](CC[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000420321318 1027470320 /nfs/dbraw/zinc/47/03/20/1027470320.db2.gz ZXFUTCNQEVHYIB-CEXWTWQISA-N 2 1 344.547 3.581 20 0 EHADMP Clc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325136 1027480031 /nfs/dbraw/zinc/48/00/31/1027480031.db2.gz IGMPXLSFCHUUAS-CVEARBPZSA-N 2 1 345.874 3.817 20 0 EHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000420369364 1027493370 /nfs/dbraw/zinc/49/33/70/1027493370.db2.gz VAHCKXSAPQYEOY-HNNXBMFYSA-N 2 1 332.410 3.827 20 0 EHADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420378037 1027500533 /nfs/dbraw/zinc/50/05/33/1027500533.db2.gz BAGKYHRNVVZHNN-PXNSSMCTSA-N 2 1 337.467 3.838 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155687 1027641145 /nfs/dbraw/zinc/64/11/45/1027641145.db2.gz YGASAKVDSDJUPP-SDDRHHMPSA-N 2 1 329.307 3.788 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)s1 ZINC000130155687 1027641156 /nfs/dbraw/zinc/64/11/56/1027641156.db2.gz YGASAKVDSDJUPP-SDDRHHMPSA-N 2 1 329.307 3.788 20 0 EHADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccn1 ZINC000342864148 1027721213 /nfs/dbraw/zinc/72/12/13/1027721213.db2.gz LERZNZKSQCIFHS-QGZVFWFLSA-N 2 1 331.504 3.567 20 0 EHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC000414659866 1027737475 /nfs/dbraw/zinc/73/74/75/1027737475.db2.gz UHDPTDFKZAUNMS-UHFFFAOYSA-N 2 1 346.478 3.771 20 0 EHADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)cc1 ZINC000422564980 1027793081 /nfs/dbraw/zinc/79/30/81/1027793081.db2.gz XGKXMRCRZOPPJA-YCPHGPKFSA-N 2 1 345.512 3.624 20 0 EHADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)cc1 ZINC000422564980 1027793100 /nfs/dbraw/zinc/79/31/00/1027793100.db2.gz XGKXMRCRZOPPJA-YCPHGPKFSA-N 2 1 345.512 3.624 20 0 EHADMP CC(C)OC1CC([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000459352228 1027820004 /nfs/dbraw/zinc/82/00/04/1027820004.db2.gz HFMWJJAMRFIZAC-LZBANZJXSA-N 2 1 342.527 3.931 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000459352228 1027820019 /nfs/dbraw/zinc/82/00/19/1027820019.db2.gz HFMWJJAMRFIZAC-LZBANZJXSA-N 2 1 342.527 3.931 20 0 EHADMP CC(C)OC1CC([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000459352228 1027820038 /nfs/dbraw/zinc/82/00/38/1027820038.db2.gz HFMWJJAMRFIZAC-LZBANZJXSA-N 2 1 342.527 3.931 20 0 EHADMP CC[N@H+](Cc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910226 1027851901 /nfs/dbraw/zinc/85/19/01/1027851901.db2.gz ZMIQFPBJVPSBMZ-UHFFFAOYSA-N 2 1 330.497 3.602 20 0 EHADMP CC[N@@H+](Cc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910226 1027851928 /nfs/dbraw/zinc/85/19/28/1027851928.db2.gz ZMIQFPBJVPSBMZ-UHFFFAOYSA-N 2 1 330.497 3.602 20 0 EHADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422720208 1027887009 /nfs/dbraw/zinc/88/70/09/1027887009.db2.gz SFWGVUXAHNXZLE-HZMBPMFUSA-N 2 1 331.685 3.580 20 0 EHADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422774243 1027930505 /nfs/dbraw/zinc/93/05/05/1027930505.db2.gz WFZALNWNFHMZTG-PMACEKPBSA-N 2 1 332.451 3.509 20 0 EHADMP Fc1cccc(Cl)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422782820 1027935438 /nfs/dbraw/zinc/93/54/38/1027935438.db2.gz NHILSBQZFWVWHX-PKOBYXMFSA-N 2 1 346.833 3.825 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420983235 1027939245 /nfs/dbraw/zinc/93/92/45/1027939245.db2.gz QFZTTXMWTSZQPE-QGZVFWFLSA-N 2 1 349.950 3.893 20 0 EHADMP c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422801232 1027951532 /nfs/dbraw/zinc/95/15/32/1027951532.db2.gz BLNBAQKDWDNYKN-FDFHNCONSA-N 2 1 341.543 3.683 20 0 EHADMP CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422827816 1027970551 /nfs/dbraw/zinc/97/05/51/1027970551.db2.gz NMSKGNUHHVTIDD-QFBILLFUSA-N 2 1 342.483 3.532 20 0 EHADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851449 1027986673 /nfs/dbraw/zinc/98/66/73/1027986673.db2.gz OXDGUWABOPHTLO-WMZOPIPTSA-N 2 1 329.513 3.535 20 0 EHADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422851448 1027987351 /nfs/dbraw/zinc/98/73/51/1027987351.db2.gz OXDGUWABOPHTLO-SJLPKXTDSA-N 2 1 329.513 3.535 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnccc1N ZINC000422858742 1027994822 /nfs/dbraw/zinc/99/48/22/1027994822.db2.gz JCRQCIPQTFWMHA-DLBZAZTESA-N 2 1 338.499 3.719 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422863664 1028000096 /nfs/dbraw/zinc/00/00/96/1028000096.db2.gz PINKNYJAPFFWBJ-MPQSDHOMSA-N 3 1 329.532 3.668 20 0 EHADMP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422922412 1028056980 /nfs/dbraw/zinc/05/69/80/1028056980.db2.gz SQIMGIOAMKAPMK-MDASCCDHSA-N 2 1 332.875 3.576 20 0 EHADMP Cc1sc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000422927963 1028059652 /nfs/dbraw/zinc/05/96/52/1028059652.db2.gz HYDBJOVRDQCMIN-YOEHRIQHSA-N 2 1 329.513 3.781 20 0 EHADMP CCOCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC1 ZINC000422937034 1028064251 /nfs/dbraw/zinc/06/42/51/1028064251.db2.gz JBGPFCRPMWVYTG-UXHICEINSA-N 2 1 346.515 3.675 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422959972 1028096425 /nfs/dbraw/zinc/09/64/25/1028096425.db2.gz UWPZISZXSWLWDE-IRXDYDNUSA-N 2 1 331.257 3.992 20 0 EHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000422997168 1028114211 /nfs/dbraw/zinc/11/42/11/1028114211.db2.gz ASOIVCLNNLJJFR-PMACEKPBSA-N 2 1 337.467 3.689 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000423018929 1028128564 /nfs/dbraw/zinc/12/85/64/1028128564.db2.gz SMKVICWDMUEJQN-AKHDSKFASA-N 2 1 330.378 3.529 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CCC(C(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423168069 1028238782 /nfs/dbraw/zinc/23/87/82/1028238782.db2.gz GLDSBTGPLLJMEQ-UQVLAFNGSA-N 2 1 338.442 3.902 20 0 EHADMP CCn1ccnc1C[N@@H+](C[C@@H]1CCCC[C@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000414720726 1028244475 /nfs/dbraw/zinc/24/44/75/1028244475.db2.gz CXVADPWIACQMKT-CEXWTWQISA-N 2 1 344.547 3.673 20 0 EHADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423212127 1028256127 /nfs/dbraw/zinc/25/61/27/1028256127.db2.gz LPRSLEUYKAFUIX-BXUZGUMPSA-N 2 1 329.271 3.796 20 0 EHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189532 1028257697 /nfs/dbraw/zinc/25/76/97/1028257697.db2.gz PPCZCUDQSGFQLE-HXUWFJFHSA-N 2 1 339.483 3.582 20 0 EHADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192218 1028261603 /nfs/dbraw/zinc/26/16/03/1028261603.db2.gz UTTXNSABMIZDBV-FQEVSTJZSA-N 2 1 329.463 3.557 20 0 EHADMP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423221431 1028289204 /nfs/dbraw/zinc/28/92/04/1028289204.db2.gz ZVQKSPVIDLBNJA-BZNIZROVSA-N 2 1 341.268 3.629 20 0 EHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423265769 1028301261 /nfs/dbraw/zinc/30/12/61/1028301261.db2.gz CZIMTXSCOGQQHH-QWHCGFSZSA-N 2 1 329.307 3.559 20 0 EHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000423276563 1028339253 /nfs/dbraw/zinc/33/92/53/1028339253.db2.gz NDBXPAZLCGZEQI-GDBMZVCRSA-N 2 1 331.460 3.654 20 0 EHADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423304771 1028359782 /nfs/dbraw/zinc/35/97/82/1028359782.db2.gz ZKGJPYZETWJZAT-NCYKPQTJSA-N 2 1 329.532 3.537 20 0 EHADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)F)CC2)cc1F ZINC000423376307 1028397492 /nfs/dbraw/zinc/39/74/92/1028397492.db2.gz UVVXWKXQSDJCSX-RAQJGYKDSA-N 2 1 344.396 3.824 20 0 EHADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC1CCCC1 ZINC000459378345 1028398221 /nfs/dbraw/zinc/39/82/21/1028398221.db2.gz QUWFPPRATCTJPT-UHFFFAOYSA-N 2 1 344.499 3.733 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423406870 1028422534 /nfs/dbraw/zinc/42/25/34/1028422534.db2.gz VFOLURCHUOQRNL-DDTOSNHZSA-N 2 1 329.271 3.795 20 0 EHADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc(-c2ccccc2)n1C ZINC000423406070 1028422980 /nfs/dbraw/zinc/42/29/80/1028422980.db2.gz YJEKTUHKGXRBKN-HNNXBMFYSA-N 2 1 332.451 3.541 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423442140 1028432638 /nfs/dbraw/zinc/43/26/38/1028432638.db2.gz VAMYOAKEHLLPTN-GFOJFJKKSA-N 3 1 329.532 3.537 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423442140 1028432643 /nfs/dbraw/zinc/43/26/43/1028432643.db2.gz VAMYOAKEHLLPTN-GFOJFJKKSA-N 2 1 329.532 3.537 20 0 EHADMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000729682914 1028449658 /nfs/dbraw/zinc/44/96/58/1028449658.db2.gz SEGWKXCVJKYLAI-MRXNPFEDSA-N 2 1 346.544 3.827 20 0 EHADMP CCSc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423510652 1028487059 /nfs/dbraw/zinc/48/70/59/1028487059.db2.gz MWOZRVULIMXGNW-IVMQYODDSA-N 2 1 347.572 3.666 20 0 EHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000423533662 1028487273 /nfs/dbraw/zinc/48/72/73/1028487273.db2.gz UEQDYSFQAHUQOY-BLLLJJGKSA-N 2 1 330.394 3.796 20 0 EHADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737724 1028545164 /nfs/dbraw/zinc/54/51/64/1028545164.db2.gz XCCZSFZKAMLVQD-MRXNPFEDSA-N 2 1 340.471 3.605 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000122137485 1028568102 /nfs/dbraw/zinc/56/81/02/1028568102.db2.gz PRVXTTINIIMTKY-RQXATKFSSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000122137485 1028568108 /nfs/dbraw/zinc/56/81/08/1028568108.db2.gz PRVXTTINIIMTKY-RQXATKFSSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1F ZINC000122306703 1028612000 /nfs/dbraw/zinc/61/20/00/1028612000.db2.gz GWXVMDTUEDOZGG-AWEZNQCLSA-N 2 1 334.410 3.756 20 0 EHADMP CN(C)[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000237131084 1028642726 /nfs/dbraw/zinc/64/27/26/1028642726.db2.gz XSMQGHJJKPNKEC-LJQANCHMSA-N 2 1 343.515 3.630 20 0 EHADMP CN(C)[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000237131084 1028642734 /nfs/dbraw/zinc/64/27/34/1028642734.db2.gz XSMQGHJJKPNKEC-LJQANCHMSA-N 2 1 343.515 3.630 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)[C@H](C)C1 ZINC000247011115 1028726143 /nfs/dbraw/zinc/72/61/43/1028726143.db2.gz LFHNRVHWDLZCFJ-NEWSRXKRSA-N 2 1 348.556 3.950 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099032 1028746057 /nfs/dbraw/zinc/74/60/57/1028746057.db2.gz OETGYHXMCFHGQP-LPHOPBHVSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099032 1028746073 /nfs/dbraw/zinc/74/60/73/1028746073.db2.gz OETGYHXMCFHGQP-LPHOPBHVSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099032 1028746088 /nfs/dbraw/zinc/74/60/88/1028746088.db2.gz OETGYHXMCFHGQP-LPHOPBHVSA-N 2 1 343.540 3.979 20 0 EHADMP Cc1ncsc1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247099032 1028746104 /nfs/dbraw/zinc/74/61/04/1028746104.db2.gz OETGYHXMCFHGQP-LPHOPBHVSA-N 2 1 343.540 3.979 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)c(F)c1 ZINC000421821013 1028805983 /nfs/dbraw/zinc/80/59/83/1028805983.db2.gz OXINCSPDFDJNLO-HXUWFJFHSA-N 2 1 334.479 3.995 20 0 EHADMP CCN(CC[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000524082021 1028844658 /nfs/dbraw/zinc/84/46/58/1028844658.db2.gz ODTYEJLXDZJWJR-CTNGQTDRSA-N 2 1 329.532 3.630 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162502057 1028888996 /nfs/dbraw/zinc/88/89/96/1028888996.db2.gz MEPGYOOEYIQWPA-LLVKDONJSA-N 2 1 329.341 3.775 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248454689 1028911529 /nfs/dbraw/zinc/91/15/29/1028911529.db2.gz RERQJACZHOYMIK-OALUTQOASA-N 2 1 344.524 3.946 20 0 EHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524155909 1028922084 /nfs/dbraw/zinc/92/20/84/1028922084.db2.gz QALYKWSRUSELSG-INIZCTEOSA-N 2 1 349.494 3.513 20 0 EHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524155909 1028922100 /nfs/dbraw/zinc/92/21/00/1028922100.db2.gz QALYKWSRUSELSG-INIZCTEOSA-N 2 1 349.494 3.513 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268805 1028942837 /nfs/dbraw/zinc/94/28/37/1028942837.db2.gz LRKGMJOUXRTIOJ-FQBWVUSXSA-N 2 1 348.556 3.753 20 0 EHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)C[C@H]2C1 ZINC000424268805 1028942847 /nfs/dbraw/zinc/94/28/47/1028942847.db2.gz LRKGMJOUXRTIOJ-FQBWVUSXSA-N 2 1 348.556 3.753 20 0 EHADMP Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780271 1028959005 /nfs/dbraw/zinc/95/90/05/1028959005.db2.gz LFJMXVACGWTAPZ-STQMWFEESA-N 2 1 330.369 3.666 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1OC(F)F)CC[NH2+]CC2 ZINC000424283175 1028959114 /nfs/dbraw/zinc/95/91/14/1028959114.db2.gz AZECQHUPHQAISV-LBPRGKRZSA-N 2 1 344.833 3.905 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000513762647 1028961284 /nfs/dbraw/zinc/96/12/84/1028961284.db2.gz RUHHKOQSXYNVKG-BHIFYINESA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000513762647 1028961301 /nfs/dbraw/zinc/96/13/01/1028961301.db2.gz RUHHKOQSXYNVKG-BHIFYINESA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000513762647 1028961312 /nfs/dbraw/zinc/96/13/12/1028961312.db2.gz RUHHKOQSXYNVKG-BHIFYINESA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000513762647 1028961328 /nfs/dbraw/zinc/96/13/28/1028961328.db2.gz RUHHKOQSXYNVKG-BHIFYINESA-N 2 1 341.543 3.635 20 0 EHADMP CCCCOc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424368585 1029031991 /nfs/dbraw/zinc/03/19/91/1029031991.db2.gz APKFSRUZCRVAJY-QGZVFWFLSA-N 2 1 346.515 3.838 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(-c3ccsc3)s1)CC[NH2+]CC2 ZINC000424375761 1029034416 /nfs/dbraw/zinc/03/44/16/1029034416.db2.gz KAKIXOISSNANIT-CYBMUJFWSA-N 2 1 333.526 3.836 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414784327 1029034658 /nfs/dbraw/zinc/03/46/58/1029034658.db2.gz HGMTZSHWGLZYGB-UHFFFAOYSA-N 2 1 346.478 3.689 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1 ZINC000271865796 1029206810 /nfs/dbraw/zinc/20/68/10/1029206810.db2.gz LHNRVFKICQYPMV-HNAYVOBHSA-N 2 1 327.472 3.628 20 0 EHADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245767915 1029265184 /nfs/dbraw/zinc/26/51/84/1029265184.db2.gz WSOJWQMYTRJWCZ-MXEMCNAFSA-N 2 1 330.516 3.569 20 0 EHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414809887 1029266296 /nfs/dbraw/zinc/26/62/96/1029266296.db2.gz HGCLDZDWQBMKKW-AAEUAGOBSA-N 2 1 331.273 3.626 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[C@@H]4OCC[C@@H]42)C3)cc1 ZINC000245779600 1029285870 /nfs/dbraw/zinc/28/58/70/1029285870.db2.gz YPKWCZGITMIAAF-LYSZKAAZSA-N 2 1 340.511 3.729 20 0 EHADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414818308 1029364803 /nfs/dbraw/zinc/36/48/03/1029364803.db2.gz VFLCQUCEKJKWNH-MRXNPFEDSA-N 2 1 333.501 3.638 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348521639 1029370433 /nfs/dbraw/zinc/37/04/33/1029370433.db2.gz RGAMRYYIIWFQOL-PMACEKPBSA-N 2 1 327.472 3.699 20 0 EHADMP C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272235460 1029374247 /nfs/dbraw/zinc/37/42/47/1029374247.db2.gz VNJOISGKLXNSKK-GCJKJVERSA-N 2 1 348.490 3.963 20 0 EHADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000414832371 1029492099 /nfs/dbraw/zinc/49/20/99/1029492099.db2.gz DKJSMEUPBODPGD-HXUWFJFHSA-N 2 1 349.950 3.802 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1cccs1 ZINC000261777913 1029504076 /nfs/dbraw/zinc/50/40/76/1029504076.db2.gz SWVHGBKYDUQDIK-IBGZPJMESA-N 2 1 346.496 3.506 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1cccs1 ZINC000261777913 1029504085 /nfs/dbraw/zinc/50/40/85/1029504085.db2.gz SWVHGBKYDUQDIK-IBGZPJMESA-N 2 1 346.496 3.506 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000162258174 1029511828 /nfs/dbraw/zinc/51/18/28/1029511828.db2.gz OSZVRBFALNJLSJ-MOPGFXCFSA-N 2 1 330.520 3.867 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000343153122 1029514127 /nfs/dbraw/zinc/51/41/27/1029514127.db2.gz KTEJVQUBONPNBY-LSJNQWAISA-N 2 1 327.472 3.849 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000162258441 1029514156 /nfs/dbraw/zinc/51/41/56/1029514156.db2.gz OSZVRBFALNJLSJ-OALUTQOASA-N 2 1 330.520 3.867 20 0 EHADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414838353 1029524035 /nfs/dbraw/zinc/52/40/35/1029524035.db2.gz KLJXFTMRTUJDLP-DUXKGJEZSA-N 2 1 329.532 3.537 20 0 EHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159926 1029534037 /nfs/dbraw/zinc/53/40/37/1029534037.db2.gz DORBKGKDQAEBJE-PXAZEXFGSA-N 2 1 335.289 3.510 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000272628376 1029541075 /nfs/dbraw/zinc/54/10/75/1029541075.db2.gz AIVLSSOEWDKFPZ-FDFHNCONSA-N 2 1 335.495 3.514 20 0 EHADMP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000272683329 1029565524 /nfs/dbraw/zinc/56/55/24/1029565524.db2.gz SXESSCWFISDCQW-QFBILLFUSA-N 2 1 343.540 3.803 20 0 EHADMP C[C@H]([NH2+]CCc1ccc(Cl)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272694663 1029569341 /nfs/dbraw/zinc/56/93/41/1029569341.db2.gz WTQDFOHVUNATIV-LPHOPBHVSA-N 2 1 343.902 3.778 20 0 EHADMP CC(C)Cn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272731870 1029584193 /nfs/dbraw/zinc/58/41/93/1029584193.db2.gz AMVBXCFBSXLYTN-RXVVDRJESA-N 2 1 340.515 3.539 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508703043 1029763727 /nfs/dbraw/zinc/76/37/27/1029763727.db2.gz XFBLBIJFAWAUKB-ILWGZMRPSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508703043 1029763729 /nfs/dbraw/zinc/76/37/29/1029763729.db2.gz XFBLBIJFAWAUKB-ILWGZMRPSA-N 2 1 343.559 3.751 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703043 1029763730 /nfs/dbraw/zinc/76/37/30/1029763730.db2.gz XFBLBIJFAWAUKB-ILWGZMRPSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000508708533 1029770428 /nfs/dbraw/zinc/77/04/28/1029770428.db2.gz CBEWWHLCQGJBGJ-KCZVDYSFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708533 1029770437 /nfs/dbraw/zinc/77/04/37/1029770437.db2.gz CBEWWHLCQGJBGJ-KCZVDYSFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000508708533 1029770444 /nfs/dbraw/zinc/77/04/44/1029770444.db2.gz CBEWWHLCQGJBGJ-KCZVDYSFSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714085 1029775381 /nfs/dbraw/zinc/77/53/81/1029775381.db2.gz GWVBVGSOSXBNOY-NTYOPAKOSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508714085 1029775389 /nfs/dbraw/zinc/77/53/89/1029775389.db2.gz GWVBVGSOSXBNOY-NTYOPAKOSA-N 2 1 343.559 3.607 20 0 EHADMP CCCC(O)(CCC)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717347 1029797662 /nfs/dbraw/zinc/79/76/62/1029797662.db2.gz LOLOIOANCQULQB-UYAOXDASSA-N 2 1 332.532 3.818 20 0 EHADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921545 1029854547 /nfs/dbraw/zinc/85/45/47/1029854547.db2.gz SKFHIDUWZSSIAI-ZWOKBUDYSA-N 2 1 338.499 3.736 20 0 EHADMP CN(c1ccccc1C[N@H+]1CC[C@H]2CCC[C@H]21)C1CC[NH+](C)CC1 ZINC000428463661 1029875849 /nfs/dbraw/zinc/87/58/49/1029875849.db2.gz SIKMAPBGJHWDON-DYESRHJHSA-N 2 1 327.516 3.591 20 0 EHADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000278274513 1029884889 /nfs/dbraw/zinc/88/48/89/1029884889.db2.gz PKZNXCSDUYQZID-HNNXBMFYSA-N 2 1 344.455 3.757 20 0 EHADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000278274513 1029884898 /nfs/dbraw/zinc/88/48/98/1029884898.db2.gz PKZNXCSDUYQZID-HNNXBMFYSA-N 2 1 344.455 3.757 20 0 EHADMP Cc1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)oc2cc1C ZINC000650707098 1030015512 /nfs/dbraw/zinc/01/55/12/1030015512.db2.gz YJLMSXTZVXNZOS-HQRMLTQVSA-N 2 1 342.483 3.768 20 0 EHADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650710156 1030038212 /nfs/dbraw/zinc/03/82/12/1030038212.db2.gz GEFPYQCGDNPJIN-ZBFHGGJFSA-N 2 1 329.419 3.633 20 0 EHADMP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453297506 1030045933 /nfs/dbraw/zinc/04/59/33/1030045933.db2.gz ZIGNCWNLYFGRCQ-PSWRPDDJSA-N 2 1 344.543 3.818 20 0 EHADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000556050921 1030109339 /nfs/dbraw/zinc/10/93/39/1030109339.db2.gz QMQYBLWQBRGOKH-HKBOAZHASA-N 2 1 329.532 3.532 20 0 EHADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851459 1030145481 /nfs/dbraw/zinc/14/54/81/1030145481.db2.gz JABCAXKYAUAVMJ-FQEVSTJZSA-N 2 1 329.532 3.505 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567851459 1030145489 /nfs/dbraw/zinc/14/54/89/1030145489.db2.gz JABCAXKYAUAVMJ-FQEVSTJZSA-N 2 1 329.532 3.505 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2OC)[C@@H](C)C1 ZINC000531966817 1030153142 /nfs/dbraw/zinc/15/31/42/1030153142.db2.gz FOLMCEDZUKHHOY-NSHGMRRFSA-N 2 1 348.531 3.791 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2OC)[C@@H](C)C1 ZINC000531966817 1030153149 /nfs/dbraw/zinc/15/31/49/1030153149.db2.gz FOLMCEDZUKHHOY-NSHGMRRFSA-N 2 1 348.531 3.791 20 0 EHADMP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453384389 1030163660 /nfs/dbraw/zinc/16/36/60/1030163660.db2.gz ZSQCBPDAQTUGBY-YLJYHZDGSA-N 2 1 348.556 3.907 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980725 1030198616 /nfs/dbraw/zinc/19/86/16/1030198616.db2.gz DQELSQYSSSZLAS-ZACQAIPSSA-N 2 1 331.504 3.599 20 0 EHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980725 1030198618 /nfs/dbraw/zinc/19/86/18/1030198618.db2.gz DQELSQYSSSZLAS-ZACQAIPSSA-N 2 1 331.504 3.599 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723421 1030208332 /nfs/dbraw/zinc/20/83/32/1030208332.db2.gz NOAXLUJTHCYLPJ-AGIUHOORSA-N 2 1 349.327 3.916 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(Cl)c2Cl)C1 ZINC000650723421 1030208341 /nfs/dbraw/zinc/20/83/41/1030208341.db2.gz NOAXLUJTHCYLPJ-AGIUHOORSA-N 2 1 349.327 3.916 20 0 EHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453402208 1030210446 /nfs/dbraw/zinc/21/04/46/1030210446.db2.gz NLEDYKSBXOQFFZ-MRXNPFEDSA-N 2 1 346.519 3.742 20 0 EHADMP COc1cc(OC)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC000453392433 1030238335 /nfs/dbraw/zinc/23/83/35/1030238335.db2.gz FIVQCXUOSSNDSO-ZDUSSCGKSA-N 2 1 340.895 3.882 20 0 EHADMP Cn1ccc([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)n1 ZINC000453392451 1030239545 /nfs/dbraw/zinc/23/95/45/1030239545.db2.gz FLBOTOJDKOZPAY-IBGZPJMESA-N 2 1 346.906 3.627 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2C)cc1 ZINC000531995125 1030246756 /nfs/dbraw/zinc/24/67/56/1030246756.db2.gz ZTKRLDWDWNTENT-HRAATJIYSA-N 2 1 335.451 3.873 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420171 1030271795 /nfs/dbraw/zinc/27/17/95/1030271795.db2.gz ZLBHOAXUQFQRAY-CQSZACIVSA-N 2 1 339.321 3.844 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000482254249 1030291095 /nfs/dbraw/zinc/29/10/95/1030291095.db2.gz SXNAQAVMSAOFQG-CZUORRHYSA-N 2 1 326.406 3.667 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000343327934 1030305726 /nfs/dbraw/zinc/30/57/26/1030305726.db2.gz WTWZDADTHONAIH-MGPUTAFESA-N 2 1 338.430 3.741 20 0 EHADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583664 1030316110 /nfs/dbraw/zinc/31/61/10/1030316110.db2.gz CCUAZDJZNNKDQD-ALGQRKQJSA-N 2 1 328.500 3.587 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000447589489 1030326793 /nfs/dbraw/zinc/32/67/93/1030326793.db2.gz XWOXHPSFBDSHQF-OUUBHVDSSA-N 2 1 328.500 3.585 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1c(Cl)cccc1N1CCCC1)C1CC1 ZINC000453599417 1030357809 /nfs/dbraw/zinc/35/78/09/1030357809.db2.gz RDADBZLOYJHVHV-UHFFFAOYSA-N 2 1 335.923 3.904 20 0 EHADMP C[N@H+]1CCN(CCC[NH2+]C2CCCCCC2)[C@H](c2ccccc2)C1 ZINC000550843447 1030500030 /nfs/dbraw/zinc/50/00/30/1030500030.db2.gz RYGXBNADWILFMX-NRFANRHFSA-N 2 1 329.532 3.678 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000482556614 1030530351 /nfs/dbraw/zinc/53/03/51/1030530351.db2.gz ODDJYQIOIXMXOG-VQTJNVASSA-N 2 1 349.950 3.593 20 0 EHADMP CC1(C)OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787154 1030557467 /nfs/dbraw/zinc/55/74/67/1030557467.db2.gz SYFGLRZGQHWTMO-OALUTQOASA-N 2 1 328.500 3.588 20 0 EHADMP CC1(C)OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657787154 1030557478 /nfs/dbraw/zinc/55/74/78/1030557478.db2.gz SYFGLRZGQHWTMO-OALUTQOASA-N 2 1 328.500 3.588 20 0 EHADMP C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000482621686 1030585392 /nfs/dbraw/zinc/58/53/92/1030585392.db2.gz SVENCORCLVQFLI-QRVBRYPASA-N 2 1 347.547 3.541 20 0 EHADMP C[NH+](C)CCCC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000093688372 1030662651 /nfs/dbraw/zinc/66/26/51/1030662651.db2.gz PVHMRHQJLWRKAB-UHFFFAOYSA-N 2 1 329.410 3.654 20 0 EHADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c(F)c1 ZINC000650753560 1030706337 /nfs/dbraw/zinc/70/63/37/1030706337.db2.gz PZRKNOJXWOTWPM-KRWDZBQOSA-N 2 1 334.822 3.941 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881978 1030758609 /nfs/dbraw/zinc/75/86/09/1030758609.db2.gz GAJBLMNFSLYYBN-SFTDATJTSA-N 2 1 344.543 3.939 20 0 EHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883242 1030760370 /nfs/dbraw/zinc/76/03/70/1030760370.db2.gz WVMVBJRYKLFAID-NJDAHSKKSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000482959506 1030849467 /nfs/dbraw/zinc/84/94/67/1030849467.db2.gz LZTVSXARTAPSEB-JRGCBEDISA-N 2 1 343.559 3.532 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC[NH+]1C ZINC000482959506 1030849491 /nfs/dbraw/zinc/84/94/91/1030849491.db2.gz LZTVSXARTAPSEB-JRGCBEDISA-N 2 1 343.559 3.532 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCc3ccccc3C2)C(C)(C)C)CCN1C ZINC000482959506 1030849530 /nfs/dbraw/zinc/84/95/30/1030849530.db2.gz LZTVSXARTAPSEB-JRGCBEDISA-N 2 1 343.559 3.532 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@@H](C)C1 ZINC000483121044 1030969638 /nfs/dbraw/zinc/96/96/38/1030969638.db2.gz PHIPBQJXSJRERI-IRXDYDNUSA-N 2 1 338.561 3.752 20 0 EHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000551050130 1031005217 /nfs/dbraw/zinc/00/52/17/1031005217.db2.gz FLQQLEBDVDLTPA-UTKZUKDTSA-N 2 1 336.479 3.805 20 0 EHADMP CCC[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527632021 1031060020 /nfs/dbraw/zinc/06/00/20/1031060020.db2.gz LYGIOZRSXWHXCW-UHFFFAOYSA-N 2 1 330.394 3.678 20 0 EHADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCCCC1 ZINC000551169123 1031075057 /nfs/dbraw/zinc/07/50/57/1031075057.db2.gz APWLODRTBCEBOH-HLAWJBBLSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@]1(C)CCCO1 ZINC000551265867 1031178710 /nfs/dbraw/zinc/17/87/10/1031178710.db2.gz QMSNPWUMDFWPRE-DBXWQHBBSA-N 2 1 330.516 3.966 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491905 1031183406 /nfs/dbraw/zinc/18/34/06/1031183406.db2.gz SBDTWICWYQFRKW-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491905 1031183416 /nfs/dbraw/zinc/18/34/16/1031183416.db2.gz SBDTWICWYQFRKW-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491905 1031183420 /nfs/dbraw/zinc/18/34/20/1031183420.db2.gz SBDTWICWYQFRKW-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000483491905 1031183428 /nfs/dbraw/zinc/18/34/28/1031183428.db2.gz SBDTWICWYQFRKW-CJNGLKHVSA-N 2 1 343.298 3.788 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000151218562 1031192618 /nfs/dbraw/zinc/19/26/18/1031192618.db2.gz YPJVNSATNJIGME-SFHVURJKSA-N 2 1 344.499 3.560 20 0 EHADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000151218562 1031192625 /nfs/dbraw/zinc/19/26/25/1031192625.db2.gz YPJVNSATNJIGME-SFHVURJKSA-N 2 1 344.499 3.560 20 0 EHADMP Clc1cccc(-c2n[nH]cc2CNC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805756 1031278647 /nfs/dbraw/zinc/27/86/47/1031278647.db2.gz HSTHJYLTQQGWGQ-SFHVURJKSA-N 2 1 344.890 3.837 20 0 EHADMP Clc1cccc(-c2n[nH]cc2CNC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805756 1031278658 /nfs/dbraw/zinc/27/86/58/1031278658.db2.gz HSTHJYLTQQGWGQ-SFHVURJKSA-N 2 1 344.890 3.837 20 0 EHADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527853107 1031328945 /nfs/dbraw/zinc/32/89/45/1031328945.db2.gz YQMWNATWGCHPQV-KRWDZBQOSA-N 2 1 348.494 4.000 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CCCOC2)C3)cc1 ZINC000527927398 1031421855 /nfs/dbraw/zinc/42/18/55/1031421855.db2.gz MIQMRXFUUGNRBA-BURNTYAHSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132856694 1031438266 /nfs/dbraw/zinc/43/82/66/1031438266.db2.gz QVBYQCXYLMJMSL-DLBZAZTESA-N 2 1 342.483 3.893 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000528036863 1031616091 /nfs/dbraw/zinc/61/60/91/1031616091.db2.gz ZAOSDVYSMMHKKZ-CABCVRRESA-N 2 1 331.435 3.573 20 0 EHADMP COc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000551795704 1031677089 /nfs/dbraw/zinc/67/70/89/1031677089.db2.gz QHCSEEFCTHTTTB-HUUCEWRRSA-N 2 1 339.911 3.906 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000178705149 1031716624 /nfs/dbraw/zinc/71/66/24/1031716624.db2.gz UUQIOEAYYLHTCG-KXBFYZLASA-N 2 1 327.472 3.948 20 0 EHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC1CC[NH2+]CC1 ZINC000178971447 1031725700 /nfs/dbraw/zinc/72/57/00/1031725700.db2.gz HMSPCNVNFBBDHF-UHFFFAOYSA-N 2 1 341.499 3.986 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)[C@H](C)C1 ZINC000179467412 1031777406 /nfs/dbraw/zinc/77/74/06/1031777406.db2.gz GISDUSICZRCXAU-MAODMQOUSA-N 2 1 348.506 3.930 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)o1 ZINC000278652407 1031825744 /nfs/dbraw/zinc/82/57/44/1031825744.db2.gz IENRFQDRYUPHFA-OXQOHEQNSA-N 2 1 342.483 3.704 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484648646 1031840165 /nfs/dbraw/zinc/84/01/65/1031840165.db2.gz LDBISCZUUVTYJZ-PMACEKPBSA-N 2 1 327.472 3.870 20 0 EHADMP Cc1ccc(C(=O)C2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)c(C)c1 ZINC000904337301 1031942126 /nfs/dbraw/zinc/94/21/26/1031942126.db2.gz URLSSJYEUPYBGD-OAQYLSRUSA-N 2 1 328.500 3.588 20 0 EHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000904345714 1031966206 /nfs/dbraw/zinc/96/62/06/1031966206.db2.gz LZXIMPJDBXZHAF-GLQYFDAESA-N 2 1 330.419 3.533 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)cc1C ZINC000181186301 1031990255 /nfs/dbraw/zinc/99/02/55/1031990255.db2.gz FLWMKQGPFIJIGD-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000181186301 1031990269 /nfs/dbraw/zinc/99/02/69/1031990269.db2.gz FLWMKQGPFIJIGD-UHFFFAOYSA-N 2 1 336.277 3.785 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H]1SC ZINC000459398133 1032037677 /nfs/dbraw/zinc/03/76/77/1032037677.db2.gz SYADDUFVRQXDCN-OTWHNJEPSA-N 2 1 336.545 3.525 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4cccnc4o3)C2)CC1 ZINC000449019577 1032038634 /nfs/dbraw/zinc/03/86/34/1032038634.db2.gz NUQYQVACUZRDIX-QGZVFWFLSA-N 2 1 327.472 3.772 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4cccnc4o3)C2)CC1 ZINC000449019577 1032038648 /nfs/dbraw/zinc/03/86/48/1032038648.db2.gz NUQYQVACUZRDIX-QGZVFWFLSA-N 2 1 327.472 3.772 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000536652988 1032040254 /nfs/dbraw/zinc/04/02/54/1032040254.db2.gz LNAOQNQFLYTBHS-UHFFFAOYSA-N 2 1 340.515 3.937 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449007939 1032049670 /nfs/dbraw/zinc/04/96/70/1032049670.db2.gz GNXFYXPDZHZXLT-UHFFFAOYSA-N 2 1 332.488 3.543 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449007939 1032049683 /nfs/dbraw/zinc/04/96/83/1032049683.db2.gz GNXFYXPDZHZXLT-UHFFFAOYSA-N 2 1 332.488 3.543 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000195138168 1032050331 /nfs/dbraw/zinc/05/03/31/1032050331.db2.gz FLRWOHBAAJUFAW-FUHWJXTLSA-N 2 1 338.451 3.588 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459392465 1032052130 /nfs/dbraw/zinc/05/21/30/1032052130.db2.gz UIFUITPVCDKXKE-MTFMMBMASA-N 2 1 348.556 3.646 20 0 EHADMP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000536659084 1032053623 /nfs/dbraw/zinc/05/36/23/1032053623.db2.gz CQXHKYPXJNOIDL-SFHVURJKSA-N 2 1 328.500 3.926 20 0 EHADMP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000536659084 1032053642 /nfs/dbraw/zinc/05/36/42/1032053642.db2.gz CQXHKYPXJNOIDL-SFHVURJKSA-N 2 1 328.500 3.926 20 0 EHADMP C[C@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(C)(C)C ZINC000685442003 1033332352 /nfs/dbraw/zinc/33/23/52/1033332352.db2.gz XGOQTXDZMJCZPF-CTNGQTDRSA-N 2 1 343.559 3.561 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000898113082 1033336426 /nfs/dbraw/zinc/33/64/26/1033336426.db2.gz ZFICITGMOXIVQZ-HOJAQTOUSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000898113082 1033336438 /nfs/dbraw/zinc/33/64/38/1033336438.db2.gz ZFICITGMOXIVQZ-HOJAQTOUSA-N 2 1 328.500 3.731 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890313 1033340832 /nfs/dbraw/zinc/34/08/32/1033340832.db2.gz PIJPAUBYTKEVMI-ZRGWGRIASA-N 2 1 342.483 3.990 20 0 EHADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890313 1033340850 /nfs/dbraw/zinc/34/08/50/1033340850.db2.gz PIJPAUBYTKEVMI-ZRGWGRIASA-N 2 1 342.483 3.990 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000685462174 1033355920 /nfs/dbraw/zinc/35/59/20/1033355920.db2.gz QHRWCWWUWQDRLS-INIZCTEOSA-N 2 1 345.487 3.900 20 0 EHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000685462174 1033355929 /nfs/dbraw/zinc/35/59/29/1033355929.db2.gz QHRWCWWUWQDRLS-INIZCTEOSA-N 2 1 345.487 3.900 20 0 EHADMP Cc1nc2ccccn2c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000898275922 1033421615 /nfs/dbraw/zinc/42/16/15/1033421615.db2.gz GMKYUDBLFBRYPB-UHFFFAOYSA-N 2 1 326.488 3.529 20 0 EHADMP CC1CCC([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000608053594 1033470087 /nfs/dbraw/zinc/47/00/87/1033470087.db2.gz GVLGWPZSUJPYGW-DQVLVPHSSA-N 2 1 329.532 3.534 20 0 EHADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncc(C(F)(F)F)cc1Cl)CC2 ZINC001279109180 1033565306 /nfs/dbraw/zinc/56/53/06/1033565306.db2.gz ZGQHADVQHDWVNL-UHFFFAOYSA-N 2 1 347.812 3.672 20 0 EHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ncc(C(F)(F)F)cc1Cl)CC2 ZINC001279109180 1033565316 /nfs/dbraw/zinc/56/53/16/1033565316.db2.gz ZGQHADVQHDWVNL-UHFFFAOYSA-N 2 1 347.812 3.672 20 0 EHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000398103505 1033610967 /nfs/dbraw/zinc/61/09/67/1033610967.db2.gz AVPBYOPQMBFVJO-PXNSSMCTSA-N 2 1 346.478 3.630 20 0 EHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955016 1033629876 /nfs/dbraw/zinc/62/98/76/1033629876.db2.gz ZZBKMVUQORGNGB-PBHICJAKSA-N 2 1 344.421 3.545 20 0 EHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955016 1033629897 /nfs/dbraw/zinc/62/98/97/1033629897.db2.gz ZZBKMVUQORGNGB-PBHICJAKSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955016 1033629912 /nfs/dbraw/zinc/62/99/12/1033629912.db2.gz ZZBKMVUQORGNGB-PBHICJAKSA-N 2 1 344.421 3.545 20 0 EHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000173955016 1033629925 /nfs/dbraw/zinc/62/99/25/1033629925.db2.gz ZZBKMVUQORGNGB-PBHICJAKSA-N 2 1 344.421 3.545 20 0 EHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000107370566 1033660438 /nfs/dbraw/zinc/66/04/38/1033660438.db2.gz CZPQNNXTXOIEPF-QHCPKHFHSA-N 2 1 349.522 3.565 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2COC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000657931832 1033675979 /nfs/dbraw/zinc/67/59/79/1033675979.db2.gz JFLQLDKIMLGQNF-RLLQIKCJSA-N 2 1 328.500 3.588 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685665190 1033716872 /nfs/dbraw/zinc/71/68/72/1033716872.db2.gz IRXDFGXAPAWTQF-APWZRJJASA-N 2 1 326.488 3.671 20 0 EHADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685665190 1033716884 /nfs/dbraw/zinc/71/68/84/1033716884.db2.gz IRXDFGXAPAWTQF-APWZRJJASA-N 2 1 326.488 3.671 20 0 EHADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000550605764 1033724728 /nfs/dbraw/zinc/72/47/28/1033724728.db2.gz ATKIDDHREKTQDG-BHDDXSALSA-N 2 1 337.511 3.714 20 0 EHADMP FCC1(CF)CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000657970490 1033770477 /nfs/dbraw/zinc/77/04/77/1033770477.db2.gz DFSCFMBHYFJGNX-YZGWKJHDSA-N 2 1 348.481 3.965 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564029 1033795287 /nfs/dbraw/zinc/79/52/87/1033795287.db2.gz JOMPHJUZFIKPIZ-FQEVSTJZSA-N 2 1 328.500 3.926 20 0 EHADMP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564029 1033795300 /nfs/dbraw/zinc/79/53/00/1033795300.db2.gz JOMPHJUZFIKPIZ-FQEVSTJZSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550680013 1033853159 /nfs/dbraw/zinc/85/31/59/1033853159.db2.gz GITNOROLUWKNCK-LRSLUSHPSA-N 2 1 336.479 3.942 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550680013 1033853169 /nfs/dbraw/zinc/85/31/69/1033853169.db2.gz GITNOROLUWKNCK-LRSLUSHPSA-N 2 1 336.479 3.942 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000658061620 1033875798 /nfs/dbraw/zinc/87/57/98/1033875798.db2.gz PQWXVNOGBCQRJT-CBNMVNINSA-N 2 1 343.559 3.892 20 0 EHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)s1 ZINC000658141183 1033986327 /nfs/dbraw/zinc/98/63/27/1033986327.db2.gz ROIIHNOLXQTNQN-BEFAXECRSA-N 2 1 344.524 3.782 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230305 1034088297 /nfs/dbraw/zinc/08/82/97/1034088297.db2.gz XTHHVCFAVSTNKG-DLBZAZTESA-N 2 1 340.515 3.881 20 0 EHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230305 1034088307 /nfs/dbraw/zinc/08/83/07/1034088307.db2.gz XTHHVCFAVSTNKG-DLBZAZTESA-N 2 1 340.515 3.881 20 0 EHADMP CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CCC([NH+](C)C)CC1 ZINC001168328440 1034187945 /nfs/dbraw/zinc/18/79/45/1034187945.db2.gz GOLKZOPXQOWXRI-VIQWUECVSA-N 2 1 345.531 3.907 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000658319075 1034193874 /nfs/dbraw/zinc/19/38/74/1034193874.db2.gz WPGBJRSOESHHNH-WOJBJXKFSA-N 2 1 340.511 3.590 20 0 EHADMP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(C)C ZINC000658320021 1034193996 /nfs/dbraw/zinc/19/39/96/1034193996.db2.gz MCQRDSVFTUJMLW-VQTJNVASSA-N 2 1 330.516 3.549 20 0 EHADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000658318417 1034194800 /nfs/dbraw/zinc/19/48/00/1034194800.db2.gz PZMQPPCJGGZGTQ-ICSRJNTNSA-N 2 1 342.527 3.836 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccsc3Br)C2)CC1 ZINC000529567255 1034220754 /nfs/dbraw/zinc/22/07/54/1034220754.db2.gz KTBOPSLSRDXNDN-CYBMUJFWSA-N 2 1 343.334 3.674 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421828539 1034250985 /nfs/dbraw/zinc/25/09/85/1034250985.db2.gz DEULLIXEBSBHEO-WIYYLYMNSA-N 2 1 337.511 3.829 20 0 EHADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000375849300 1034714557 /nfs/dbraw/zinc/71/45/57/1034714557.db2.gz HBIFQMWOSMFCSQ-VAMGGRTRSA-N 2 1 327.472 3.523 20 0 EHADMP CCN1CCC[C@@H](C[N@@H+](C)CC23CCC(CC2)C3)[C@@H]1c1cnn(C)c1 ZINC000450788365 1034789741 /nfs/dbraw/zinc/78/97/41/1034789741.db2.gz HHQINFNDBRWZML-JLMIFGBASA-N 2 1 344.547 3.705 20 0 EHADMP COCCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000892523642 1035414854 /nfs/dbraw/zinc/41/48/54/1035414854.db2.gz AWVIZDXZCXZZLE-UHFFFAOYSA-N 2 1 344.543 3.880 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCc1cccs1 ZINC000571696573 1035596156 /nfs/dbraw/zinc/59/61/56/1035596156.db2.gz BKXWARFLMWHAKI-GOEBONIOSA-N 2 1 346.496 3.647 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCc1cccs1 ZINC000571696573 1035596158 /nfs/dbraw/zinc/59/61/58/1035596158.db2.gz BKXWARFLMWHAKI-GOEBONIOSA-N 2 1 346.496 3.647 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000282486024 1035825578 /nfs/dbraw/zinc/82/55/78/1035825578.db2.gz MDRLBRNANXAEQY-SFTDATJTSA-N 2 1 338.495 3.610 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000282486024 1035825600 /nfs/dbraw/zinc/82/56/00/1035825600.db2.gz MDRLBRNANXAEQY-SFTDATJTSA-N 2 1 338.495 3.610 20 0 EHADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000414165824 1035847622 /nfs/dbraw/zinc/84/76/22/1035847622.db2.gz CUZSXMJBUFSZDV-ARDNKUOLSA-N 2 1 342.527 3.977 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000414188514 1035957756 /nfs/dbraw/zinc/95/77/56/1035957756.db2.gz QIGZONHFXDWSQK-PXNSSMCTSA-N 2 1 338.499 3.571 20 0 EHADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688466 1035974445 /nfs/dbraw/zinc/97/44/45/1035974445.db2.gz KPQMSRYYTYRWHW-LEWJYISDSA-N 2 1 326.484 3.529 20 0 EHADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(C)cc1 ZINC000588688466 1035974462 /nfs/dbraw/zinc/97/44/62/1035974462.db2.gz KPQMSRYYTYRWHW-LEWJYISDSA-N 2 1 326.484 3.529 20 0 EHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000588708630 1035978705 /nfs/dbraw/zinc/97/87/05/1035978705.db2.gz LWUGTYQGGHRCOR-ZVDOUQERSA-N 2 1 329.532 3.628 20 0 EHADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000397547583 1035985346 /nfs/dbraw/zinc/98/53/46/1035985346.db2.gz WGHLIUKKTIDILK-NRFANRHFSA-N 2 1 337.511 3.823 20 0 EHADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000397547583 1035985358 /nfs/dbraw/zinc/98/53/58/1035985358.db2.gz WGHLIUKKTIDILK-NRFANRHFSA-N 2 1 337.511 3.823 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1C(C)(C)C ZINC000535090356 1036014774 /nfs/dbraw/zinc/01/47/74/1036014774.db2.gz ZOCKFCWCKJBPLW-GOSISDBHSA-N 2 1 331.548 3.662 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)[C@H](C)C1 ZINC000545310304 1036057110 /nfs/dbraw/zinc/05/71/10/1036057110.db2.gz DSPIGUFETZEQGV-GSEOLPGOSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[NH+](CCCNC1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000361364733 1036325386 /nfs/dbraw/zinc/32/53/86/1036325386.db2.gz FDBZTBSMVXZMFL-UHFFFAOYSA-N 2 1 337.474 3.502 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@@H](C)O1 ZINC000414262942 1036344400 /nfs/dbraw/zinc/34/44/00/1036344400.db2.gz PAQQPIWAXZXGLX-FLCGDVNSSA-N 2 1 342.527 3.690 20 0 EHADMP C[C@H]([NH2+]CC(C)(C)OCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414278220 1036426157 /nfs/dbraw/zinc/42/61/57/1036426157.db2.gz YBJULSCZGCTMJM-FXAWDEMLSA-N 2 1 330.516 3.692 20 0 EHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191693360 1036432213 /nfs/dbraw/zinc/43/22/13/1036432213.db2.gz LJQMXDINESNANO-VIFPVBQESA-N 2 1 337.714 3.595 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191693360 1036432228 /nfs/dbraw/zinc/43/22/28/1036432228.db2.gz LJQMXDINESNANO-VIFPVBQESA-N 2 1 337.714 3.595 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)CC3 ZINC000572743122 1036478125 /nfs/dbraw/zinc/47/81/25/1036478125.db2.gz KDAXBDLWLHWHFZ-AJAKECSLSA-N 2 1 337.511 3.796 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644396 1036545411 /nfs/dbraw/zinc/54/54/11/1036545411.db2.gz GMRULINRNSXHRS-BSLALVQMSA-N 2 1 335.495 3.899 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644396 1036545426 /nfs/dbraw/zinc/54/54/26/1036545426.db2.gz GMRULINRNSXHRS-BSLALVQMSA-N 2 1 335.495 3.899 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916913 1036620481 /nfs/dbraw/zinc/62/04/81/1036620481.db2.gz HEBIZTYQFOJNMT-ABAIWWIYSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261916913 1036620493 /nfs/dbraw/zinc/62/04/93/1036620493.db2.gz HEBIZTYQFOJNMT-ABAIWWIYSA-N 2 1 344.286 3.524 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414323338 1036678993 /nfs/dbraw/zinc/67/89/93/1036678993.db2.gz AFVHJFNHIORCMQ-QUCCMNQESA-N 2 1 337.511 3.859 20 0 EHADMP CCCC1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000539408460 1036732047 /nfs/dbraw/zinc/73/20/47/1036732047.db2.gz WYEKIGBBXZLLPG-GKYDQMIMSA-N 2 1 335.580 3.551 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CCN1C ZINC000310911011 1036925145 /nfs/dbraw/zinc/92/51/45/1036925145.db2.gz FAWOYCUXGJKUFS-CKYFFXLPSA-N 2 1 329.307 3.570 20 0 EHADMP C[C@@H]1C[C@H](N[C@@H]2CCc3sc(Br)cc32)CC[N@H+]1C ZINC000310911011 1036925134 /nfs/dbraw/zinc/92/51/34/1036925134.db2.gz FAWOYCUXGJKUFS-CKYFFXLPSA-N 2 1 329.307 3.570 20 0 EHADMP CS[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](SC)C3)cc2)C1 ZINC000590750131 1037025189 /nfs/dbraw/zinc/02/51/89/1037025189.db2.gz WDFZPAYVOKSDEG-QZTJIDSGSA-N 2 1 336.570 3.561 20 0 EHADMP COc1ccc(OCCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590787112 1037054079 /nfs/dbraw/zinc/05/40/79/1037054079.db2.gz SEAZUUHLFJUFNI-UHFFFAOYSA-N 2 1 334.504 3.516 20 0 EHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787073 1037055568 /nfs/dbraw/zinc/05/55/68/1037055568.db2.gz RNHSNNQHOIZMPF-SFHVURJKSA-N 2 1 345.531 3.683 20 0 EHADMP FC(F)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544152 1037097320 /nfs/dbraw/zinc/09/73/20/1037097320.db2.gz XJBICZRZGGMOOQ-SJORKVTESA-N 2 1 338.442 3.542 20 0 EHADMP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145808 1037105740 /nfs/dbraw/zinc/10/57/40/1037105740.db2.gz HKHIBUQJLBJMAT-TZIWHRDSSA-N 3 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000542145808 1037105748 /nfs/dbraw/zinc/10/57/48/1037105748.db2.gz HKHIBUQJLBJMAT-TZIWHRDSSA-N 2 1 343.559 3.750 20 0 EHADMP CC(C)N1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542145808 1037105759 /nfs/dbraw/zinc/10/57/59/1037105759.db2.gz HKHIBUQJLBJMAT-TZIWHRDSSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@H](Cc1ccsc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000542153842 1037117891 /nfs/dbraw/zinc/11/78/91/1037117891.db2.gz BCVVNVMIXINCJY-ZACQAIPSSA-N 2 1 336.545 3.500 20 0 EHADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000591164553 1037254580 /nfs/dbraw/zinc/25/45/80/1037254580.db2.gz MZNXZUDHAYFEFN-FQEVSTJZSA-N 2 1 343.515 3.876 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000539850870 1037281574 /nfs/dbraw/zinc/28/15/74/1037281574.db2.gz LNQDUHLPNFRRJZ-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000539850870 1037281593 /nfs/dbraw/zinc/28/15/93/1037281593.db2.gz LNQDUHLPNFRRJZ-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539850870 1037281607 /nfs/dbraw/zinc/28/16/07/1037281607.db2.gz LNQDUHLPNFRRJZ-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539850870 1037281626 /nfs/dbraw/zinc/28/16/26/1037281626.db2.gz LNQDUHLPNFRRJZ-SFHVURJKSA-N 2 1 338.499 3.549 20 0 EHADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CC(C)C ZINC000532459550 1037355880 /nfs/dbraw/zinc/35/58/80/1037355880.db2.gz DBJVIBUAHYNHNJ-HWOWSKLDSA-N 2 1 338.458 3.569 20 0 EHADMP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC000462809823 1037413095 /nfs/dbraw/zinc/41/30/95/1037413095.db2.gz SRCYSOIOTJIXQO-NQIIRXRSSA-N 2 1 330.516 3.599 20 0 EHADMP CC(C)C[NH+]1CCC(NCc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000573450179 1037498996 /nfs/dbraw/zinc/49/89/96/1037498996.db2.gz DVTCNPHZEMNHKE-UHFFFAOYSA-N 2 1 328.504 3.668 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423521327 1037523520 /nfs/dbraw/zinc/52/35/20/1037523520.db2.gz SPVCPCZFKOLCDW-FDFHNCONSA-N 3 1 337.511 3.892 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423521327 1037523527 /nfs/dbraw/zinc/52/35/27/1037523527.db2.gz SPVCPCZFKOLCDW-FDFHNCONSA-N 3 1 337.511 3.892 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000303638509 1037623759 /nfs/dbraw/zinc/62/37/59/1037623759.db2.gz RQGQKKBXEFEDHP-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000303638509 1037623762 /nfs/dbraw/zinc/62/37/62/1037623762.db2.gz RQGQKKBXEFEDHP-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000303638509 1037623768 /nfs/dbraw/zinc/62/37/68/1037623768.db2.gz RQGQKKBXEFEDHP-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP Cc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000303638509 1037623778 /nfs/dbraw/zinc/62/37/78/1037623778.db2.gz RQGQKKBXEFEDHP-PMACEKPBSA-N 2 1 330.516 3.960 20 0 EHADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653899 1037672140 /nfs/dbraw/zinc/67/21/40/1037672140.db2.gz BJWZLYHWPZOXEH-UIFIKXQLSA-N 2 1 330.516 3.962 20 0 EHADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000493892574 1037712201 /nfs/dbraw/zinc/71/22/01/1037712201.db2.gz XESSDQZWSJAPMB-RXVVDRJESA-N 2 1 326.484 3.874 20 0 EHADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000493892573 1037713503 /nfs/dbraw/zinc/71/35/03/1037713503.db2.gz XESSDQZWSJAPMB-NQIIRXRSSA-N 2 1 326.484 3.874 20 0 EHADMP Cc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463139299 1037800754 /nfs/dbraw/zinc/80/07/54/1037800754.db2.gz GSVLKXLUQKAFSR-UHFFFAOYSA-N 2 1 340.486 3.973 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463272344 1037975960 /nfs/dbraw/zinc/97/59/60/1037975960.db2.gz PGTKUIGMSYTLAK-BVYCBKJFSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463272344 1037975973 /nfs/dbraw/zinc/97/59/73/1037975973.db2.gz PGTKUIGMSYTLAK-BVYCBKJFSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@H](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000463273251 1037977973 /nfs/dbraw/zinc/97/79/73/1037977973.db2.gz ZEYBEUVLWXUJTO-RZUBCFFCSA-N 2 1 343.559 3.894 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000125503505 1038336642 /nfs/dbraw/zinc/33/66/42/1038336642.db2.gz OBDWKGFHKQCVRZ-FQEVSTJZSA-N 2 1 332.536 3.560 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000125503505 1038336655 /nfs/dbraw/zinc/33/66/55/1038336655.db2.gz OBDWKGFHKQCVRZ-FQEVSTJZSA-N 3 1 332.536 3.560 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000125503505 1038336673 /nfs/dbraw/zinc/33/66/73/1038336673.db2.gz OBDWKGFHKQCVRZ-FQEVSTJZSA-N 3 1 332.536 3.560 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000893198507 1038421151 /nfs/dbraw/zinc/42/11/51/1038421151.db2.gz DKMVCPXWODKKJD-ZDUSSCGKSA-N 2 1 349.466 3.706 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000893198507 1038421155 /nfs/dbraw/zinc/42/11/55/1038421155.db2.gz DKMVCPXWODKKJD-ZDUSSCGKSA-N 2 1 349.466 3.706 20 0 EHADMP COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000363822904 1038615286 /nfs/dbraw/zinc/61/52/86/1038615286.db2.gz MXGPVQUHSNMHMX-FYZZASKESA-N 2 1 330.516 3.692 20 0 EHADMP COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000363822915 1038616078 /nfs/dbraw/zinc/61/60/78/1038616078.db2.gz MXGPVQUHSNMHMX-OYNPSCLESA-N 2 1 330.516 3.692 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000539086709 1038667184 /nfs/dbraw/zinc/66/71/84/1038667184.db2.gz PHXTZGOGWLXGSM-FOIQADDNSA-N 2 1 327.472 3.773 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149572011 1038670368 /nfs/dbraw/zinc/67/03/68/1038670368.db2.gz LVOYBSOGFKLIPB-NWDGAFQWSA-N 2 1 341.268 3.723 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000149572011 1038670371 /nfs/dbraw/zinc/67/03/71/1038670371.db2.gz LVOYBSOGFKLIPB-NWDGAFQWSA-N 2 1 341.268 3.723 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3o2)[C@H](C)C1 ZINC000539081461 1038675107 /nfs/dbraw/zinc/67/51/07/1038675107.db2.gz LBHZLYNINDCCFY-YLJYHZDGSA-N 2 1 344.499 3.702 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853150 1038784989 /nfs/dbraw/zinc/78/49/89/1038784989.db2.gz OUVDHPLBHVVYSW-AYOQOUSVSA-N 2 1 337.939 3.653 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn(C)cn1 ZINC000924693549 1038849530 /nfs/dbraw/zinc/84/95/30/1038849530.db2.gz CLMHWUAFNXCQOL-KZNAEPCWSA-N 2 1 340.515 3.749 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000479918777 1038900508 /nfs/dbraw/zinc/90/05/08/1038900508.db2.gz XMOYYKFZOIMFOZ-SJBKTWHCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000479918777 1038900523 /nfs/dbraw/zinc/90/05/23/1038900523.db2.gz XMOYYKFZOIMFOZ-SJBKTWHCSA-N 2 1 343.559 3.751 20 0 EHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000479918777 1038900531 /nfs/dbraw/zinc/90/05/31/1038900531.db2.gz XMOYYKFZOIMFOZ-SJBKTWHCSA-N 2 1 343.559 3.751 20 0 EHADMP Cn1cccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552048042 1038916117 /nfs/dbraw/zinc/91/61/17/1038916117.db2.gz FLJBKJBOVOXOFA-ILWGZMRPSA-N 2 1 337.511 3.806 20 0 EHADMP Cc1ccc(-c2ccc(C[N@H+](CCO)C3CCN(C)CC3)s2)cc1 ZINC000155499914 1038961258 /nfs/dbraw/zinc/96/12/58/1038961258.db2.gz YBJOVDZBJVWYHI-UHFFFAOYSA-N 2 1 344.524 3.612 20 0 EHADMP Cc1ccc(-c2ccc(CN(CCO)C3CC[NH+](C)CC3)s2)cc1 ZINC000155499914 1038961272 /nfs/dbraw/zinc/96/12/72/1038961272.db2.gz YBJOVDZBJVWYHI-UHFFFAOYSA-N 2 1 344.524 3.612 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOC2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000898440569 1039031894 /nfs/dbraw/zinc/03/18/94/1039031894.db2.gz SLOUEJXZCWCUOV-PKOBYXMFSA-N 2 1 348.556 3.541 20 0 EHADMP C[C@H]1C[C@H]([NH2+]CCOC2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000898440569 1039031909 /nfs/dbraw/zinc/03/19/09/1039031909.db2.gz SLOUEJXZCWCUOV-PKOBYXMFSA-N 2 1 348.556 3.541 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000477942147 1039062639 /nfs/dbraw/zinc/06/26/39/1039062639.db2.gz SSUFZSCUFRGYPG-QUCCMNQESA-N 3 1 335.580 3.741 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H]2CCC[C@H]21 ZINC000552249983 1039091574 /nfs/dbraw/zinc/09/15/74/1039091574.db2.gz RLOKKCHGDUFYET-VNQPRFMTSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H]2CCC[C@H]21 ZINC000552249983 1039091595 /nfs/dbraw/zinc/09/15/95/1039091595.db2.gz RLOKKCHGDUFYET-VNQPRFMTSA-N 2 1 341.268 3.551 20 0 EHADMP CCC[N@H+](CC1(C)CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000432776908 1039122076 /nfs/dbraw/zinc/12/20/76/1039122076.db2.gz RNFLYSZXLMVKJR-UHFFFAOYSA-N 2 1 330.520 3.964 20 0 EHADMP CCC[N@@H+](CC1(C)CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000432776908 1039122089 /nfs/dbraw/zinc/12/20/89/1039122089.db2.gz RNFLYSZXLMVKJR-UHFFFAOYSA-N 2 1 330.520 3.964 20 0 EHADMP CCCCOc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000432785832 1039172586 /nfs/dbraw/zinc/17/25/86/1039172586.db2.gz AOPCXHLQKSIAMB-GOSISDBHSA-N 2 1 334.504 3.790 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC ZINC000432785832 1039172605 /nfs/dbraw/zinc/17/26/05/1039172605.db2.gz AOPCXHLQKSIAMB-GOSISDBHSA-N 2 1 334.504 3.790 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCOCC1 ZINC000898520019 1039191962 /nfs/dbraw/zinc/19/19/62/1039191962.db2.gz SMRGZSQODKNGLU-GFRNBQLOSA-N 2 1 342.527 3.692 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@@H](C)C1 ZINC000927037470 1039215096 /nfs/dbraw/zinc/21/50/96/1039215096.db2.gz MXHYSPMMZQJTFM-KSZLIROESA-N 2 1 340.577 3.531 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423578 1039239717 /nfs/dbraw/zinc/23/97/17/1039239717.db2.gz KROOIZGYCKJHHS-PZJWPPBQSA-N 2 1 332.532 3.734 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423578 1039239728 /nfs/dbraw/zinc/23/97/28/1039239728.db2.gz KROOIZGYCKJHHS-PZJWPPBQSA-N 2 1 332.532 3.734 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349707 1039249985 /nfs/dbraw/zinc/24/99/85/1039249985.db2.gz XQXSPWHVEKYKQE-FXAWDEMLSA-N 2 1 344.524 3.937 20 0 EHADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000554349707 1039249998 /nfs/dbraw/zinc/24/99/98/1039249998.db2.gz XQXSPWHVEKYKQE-FXAWDEMLSA-N 2 1 344.524 3.937 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000552437241 1039282390 /nfs/dbraw/zinc/28/23/90/1039282390.db2.gz RULDMQGSCSBXRB-BBRMVZONSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000552437241 1039282403 /nfs/dbraw/zinc/28/24/03/1039282403.db2.gz RULDMQGSCSBXRB-BBRMVZONSA-N 2 1 328.859 3.520 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000552437241 1039282408 /nfs/dbraw/zinc/28/24/08/1039282408.db2.gz RULDMQGSCSBXRB-BBRMVZONSA-N 2 1 328.859 3.520 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H](C)C1 ZINC000480201895 1039303388 /nfs/dbraw/zinc/30/33/88/1039303388.db2.gz ZUPYSUPLVGHFRC-PZJWPPBQSA-N 2 1 344.543 3.835 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485703115 1039451723 /nfs/dbraw/zinc/45/17/23/1039451723.db2.gz FJZRBTKXCGBUGH-KSSFIOAISA-N 2 1 342.886 3.706 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485703115 1039451728 /nfs/dbraw/zinc/45/17/28/1039451728.db2.gz FJZRBTKXCGBUGH-KSSFIOAISA-N 2 1 342.886 3.706 20 0 EHADMP CCC(C)(C)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512486655 1039471577 /nfs/dbraw/zinc/47/15/77/1039471577.db2.gz NGRTXLNWJZMDKZ-NRFANRHFSA-N 2 1 343.559 3.705 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552919611 1039636299 /nfs/dbraw/zinc/63/62/99/1039636299.db2.gz JLGUPZXCEXIKFJ-RLLQIKCJSA-N 2 1 332.532 3.672 20 0 EHADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552919611 1039636308 /nfs/dbraw/zinc/63/63/08/1039636308.db2.gz JLGUPZXCEXIKFJ-RLLQIKCJSA-N 2 1 332.532 3.672 20 0 EHADMP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000549688907 1039683396 /nfs/dbraw/zinc/68/33/96/1039683396.db2.gz RXKCVRKRIAOEKL-OAHLLOKOSA-N 2 1 349.316 3.523 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000480563909 1039699178 /nfs/dbraw/zinc/69/91/78/1039699178.db2.gz OEULPRFZGXFXCQ-RLLQIKCJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000480563909 1039699190 /nfs/dbraw/zinc/69/91/90/1039699190.db2.gz OEULPRFZGXFXCQ-RLLQIKCJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563909 1039699201 /nfs/dbraw/zinc/69/92/01/1039699201.db2.gz OEULPRFZGXFXCQ-RLLQIKCJSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000480563909 1039699218 /nfs/dbraw/zinc/69/92/18/1039699218.db2.gz OEULPRFZGXFXCQ-RLLQIKCJSA-N 2 1 330.516 3.929 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000549749222 1039794525 /nfs/dbraw/zinc/79/45/25/1039794525.db2.gz NVQNXVFXUKPHRI-QFBILLFUSA-N 2 1 338.923 3.875 20 0 EHADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554841685 1039823130 /nfs/dbraw/zinc/82/31/30/1039823130.db2.gz MWSXEJWAVMOJAC-FQEVSTJZSA-N 3 1 331.548 3.609 20 0 EHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000554841685 1039823144 /nfs/dbraw/zinc/82/31/44/1039823144.db2.gz MWSXEJWAVMOJAC-FQEVSTJZSA-N 3 1 331.548 3.609 20 0 EHADMP CCn1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(-c2ccccc2)n1 ZINC000893920010 1039828553 /nfs/dbraw/zinc/82/85/53/1039828553.db2.gz NWNBBSGHAKZSAP-UHFFFAOYSA-N 2 1 340.515 3.875 20 0 EHADMP CCn1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(-c2ccccc2)n1 ZINC000893920010 1039828588 /nfs/dbraw/zinc/82/85/88/1039828588.db2.gz NWNBBSGHAKZSAP-UHFFFAOYSA-N 2 1 340.515 3.875 20 0 EHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCC2CCCCCC2)C1 ZINC000554862508 1039828920 /nfs/dbraw/zinc/82/89/20/1039828920.db2.gz KCEBWODAOGFTKG-OAQYLSRUSA-N 2 1 330.516 3.703 20 0 EHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480663429 1039876293 /nfs/dbraw/zinc/87/62/93/1039876293.db2.gz LKLZYTZSZBBJER-IAGOWNOFSA-N 2 1 328.504 3.738 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000554880076 1039898586 /nfs/dbraw/zinc/89/85/86/1039898586.db2.gz ADOVNLCWBNLIJH-MTHGGYLLSA-N 2 1 332.491 3.967 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000554880076 1039898612 /nfs/dbraw/zinc/89/86/12/1039898612.db2.gz ADOVNLCWBNLIJH-MTHGGYLLSA-N 2 1 332.491 3.967 20 0 EHADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000261695569 1039978120 /nfs/dbraw/zinc/97/81/20/1039978120.db2.gz BGIMIMMWWSSQOZ-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000480828647 1040056244 /nfs/dbraw/zinc/05/62/44/1040056244.db2.gz PBCYMWKMOWESMI-AZUAARDMSA-N 2 1 332.532 3.691 20 0 EHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660254454 1040122342 /nfs/dbraw/zinc/12/23/42/1040122342.db2.gz SAQHUAGFIPKEQY-RTBURBONSA-N 2 1 346.540 3.631 20 0 EHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660254454 1040122348 /nfs/dbraw/zinc/12/23/48/1040122348.db2.gz SAQHUAGFIPKEQY-RTBURBONSA-N 2 1 346.540 3.631 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(F)nc2)cc1 ZINC000188991244 1040141194 /nfs/dbraw/zinc/14/11/94/1040141194.db2.gz BOEWCTOVHQKKQD-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667785588 1040184934 /nfs/dbraw/zinc/18/49/34/1040184934.db2.gz UAASLULNNJZMAP-CZAAIQMYSA-N 2 1 328.500 3.718 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(SC)c2)[C@H](C)C1 ZINC000660304254 1040297885 /nfs/dbraw/zinc/29/78/85/1040297885.db2.gz CJLPAUBWNCYLEW-APWZRJJASA-N 2 1 336.545 3.635 20 0 EHADMP CC(C)CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000555234809 1040322160 /nfs/dbraw/zinc/32/21/60/1040322160.db2.gz AZSNYHCJRZYZNE-SFTDATJTSA-N 2 1 330.516 3.558 20 0 EHADMP CC[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000339244719 1040331831 /nfs/dbraw/zinc/33/18/31/1040331831.db2.gz CJAWLKITLSCWNI-HXUWFJFHSA-N 2 1 339.483 3.597 20 0 EHADMP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988613 1040625031 /nfs/dbraw/zinc/62/50/31/1040625031.db2.gz QECGLOAECNSUKM-TTXOHTOLSA-N 2 1 327.497 3.658 20 0 EHADMP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988613 1040625037 /nfs/dbraw/zinc/62/50/37/1040625037.db2.gz QECGLOAECNSUKM-TTXOHTOLSA-N 2 1 327.497 3.658 20 0 EHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C2CC2)[NH+](C)C)cc1F ZINC000481304476 1040644292 /nfs/dbraw/zinc/64/42/92/1040644292.db2.gz IWODTXSMYOWCHI-WDSOQIARSA-N 2 1 334.479 3.790 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924855559 1040675165 /nfs/dbraw/zinc/67/51/65/1040675165.db2.gz WQEBAEBDMBYTGQ-KNQAVFIVSA-N 2 1 342.527 3.693 20 0 EHADMP CSC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000433098601 1040737562 /nfs/dbraw/zinc/73/75/62/1040737562.db2.gz WCINQQXKBYKLQE-GUDVDZBRSA-N 2 1 330.541 3.772 20 0 EHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000390562749 1041013727 /nfs/dbraw/zinc/01/37/27/1041013727.db2.gz MUKYUYPSBCWHKR-JPGZLTHCSA-N 2 1 328.500 3.587 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481675057 1041235782 /nfs/dbraw/zinc/23/57/82/1041235782.db2.gz WRNGZGCNETWBIM-HUUCEWRRSA-N 2 1 328.422 3.958 20 0 EHADMP FC(F)(F)Oc1ccc2c(N[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000899874717 1041261612 /nfs/dbraw/zinc/26/16/12/1041261612.db2.gz JTHLVHMYCAFYHE-LLVKDONJSA-N 2 1 337.345 3.782 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000429803113 1041323051 /nfs/dbraw/zinc/32/30/51/1041323051.db2.gz MBOYKXNHVWJZKH-FXAWDEMLSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000429803113 1041323061 /nfs/dbraw/zinc/32/30/61/1041323061.db2.gz MBOYKXNHVWJZKH-FXAWDEMLSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000429803113 1041323069 /nfs/dbraw/zinc/32/30/69/1041323069.db2.gz MBOYKXNHVWJZKH-FXAWDEMLSA-N 2 1 334.504 3.516 20 0 EHADMP C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651929792 1042204147 /nfs/dbraw/zinc/20/41/47/1042204147.db2.gz YPHKUQNBWRHMMW-WTOYTKOKSA-N 2 1 342.527 3.692 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC1CCCC1 ZINC000165123005 1042619856 /nfs/dbraw/zinc/61/98/56/1042619856.db2.gz KGEODBHWMMLHRY-NVXWUHKLSA-N 2 1 332.488 3.589 20 0 EHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC1CCCC1 ZINC000165123005 1042619859 /nfs/dbraw/zinc/61/98/59/1042619859.db2.gz KGEODBHWMMLHRY-NVXWUHKLSA-N 2 1 332.488 3.589 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245587 1042629560 /nfs/dbraw/zinc/62/95/60/1042629560.db2.gz NPOWVJXLYHSLHJ-NWDGAFQWSA-N 2 1 337.261 3.755 20 0 EHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662245587 1042629563 /nfs/dbraw/zinc/62/95/63/1042629563.db2.gz NPOWVJXLYHSLHJ-NWDGAFQWSA-N 2 1 337.261 3.755 20 0 EHADMP c1csc(-c2cnc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)o2)c1 ZINC000662291591 1042662239 /nfs/dbraw/zinc/66/22/39/1042662239.db2.gz ITVWUJZRMNAKFP-HNNXBMFYSA-N 2 1 331.485 3.615 20 0 EHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C(C)C)CC1 ZINC000186572591 1042672388 /nfs/dbraw/zinc/67/23/88/1042672388.db2.gz WACOFPIYIWZMJO-OAQYLSRUSA-N 2 1 331.548 3.605 20 0 EHADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186572591 1042672389 /nfs/dbraw/zinc/67/23/89/1042672389.db2.gz WACOFPIYIWZMJO-OAQYLSRUSA-N 2 1 331.548 3.605 20 0 EHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000663343646 1042727265 /nfs/dbraw/zinc/72/72/65/1042727265.db2.gz ACNFQVLMBOUKNP-QKNQBKEWSA-N 2 1 327.516 3.819 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)cs1 ZINC000278874899 1042801129 /nfs/dbraw/zinc/80/11/29/1042801129.db2.gz CBLZZHMADGKXJH-MNOVXSKESA-N 2 1 340.290 3.620 20 0 EHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663465283 1042884264 /nfs/dbraw/zinc/88/42/64/1042884264.db2.gz JAIQNPBTCSSREH-PZKPASOESA-N 2 1 342.527 3.899 20 0 EHADMP COc1ccc(C[NH2+]CC(C)(C)CN(C)Cc2ccccc2)cc1O ZINC000343943026 1042897509 /nfs/dbraw/zinc/89/75/09/1042897509.db2.gz ATFBLIZFRYAGJV-UHFFFAOYSA-N 2 1 342.483 3.649 20 0 EHADMP COc1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cc1O ZINC000343943026 1042897513 /nfs/dbraw/zinc/89/75/13/1042897513.db2.gz ATFBLIZFRYAGJV-UHFFFAOYSA-N 2 1 342.483 3.649 20 0 EHADMP COc1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1O ZINC000343943026 1042897515 /nfs/dbraw/zinc/89/75/15/1042897515.db2.gz ATFBLIZFRYAGJV-UHFFFAOYSA-N 2 1 342.483 3.649 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001167827859 1042974681 /nfs/dbraw/zinc/97/46/81/1042974681.db2.gz YPYOVJKNOYENNU-DOTOQJQBSA-N 2 1 340.458 3.928 20 0 EHADMP Fc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000390851369 1042981852 /nfs/dbraw/zinc/98/18/52/1042981852.db2.gz IPVSFAYTCQXYBD-IHWFROFDSA-N 2 1 325.431 3.506 20 0 EHADMP Fc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000390851369 1042981855 /nfs/dbraw/zinc/98/18/55/1042981855.db2.gz IPVSFAYTCQXYBD-IHWFROFDSA-N 2 1 325.431 3.506 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001167836602 1043042898 /nfs/dbraw/zinc/04/28/98/1043042898.db2.gz FQNVMEPYTODLPF-XLIONFOSSA-N 2 1 336.495 3.884 20 0 EHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc2ccccc2o1 ZINC000344001100 1043078209 /nfs/dbraw/zinc/07/82/09/1043078209.db2.gz WLNMPIUVTUXBLF-HNNXBMFYSA-N 2 1 339.439 3.619 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278977340 1043116787 /nfs/dbraw/zinc/11/67/87/1043116787.db2.gz OHMVVMULUHATPI-GXTWGEPZSA-N 2 1 332.517 3.859 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001167841413 1043121494 /nfs/dbraw/zinc/12/14/94/1043121494.db2.gz MQNXIONRIUQYMU-GOSISDBHSA-N 2 1 340.515 3.876 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001167841413 1043121498 /nfs/dbraw/zinc/12/14/98/1043121498.db2.gz MQNXIONRIUQYMU-GOSISDBHSA-N 2 1 340.515 3.876 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccsc2S1 ZINC000432414496 1043130505 /nfs/dbraw/zinc/13/05/05/1043130505.db2.gz LFYXMBZCSXRCRE-IJEWVQPXSA-N 2 1 340.558 3.764 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccsc2S1 ZINC000432414496 1043130510 /nfs/dbraw/zinc/13/05/10/1043130510.db2.gz LFYXMBZCSXRCRE-IJEWVQPXSA-N 2 1 340.558 3.764 20 0 EHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432414712 1043130963 /nfs/dbraw/zinc/13/09/63/1043130963.db2.gz AMNAMTYRGDDUKD-PKOBYXMFSA-N 2 1 348.556 3.931 20 0 EHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)CCc3ccco3)sc2C1 ZINC000344163641 1043359973 /nfs/dbraw/zinc/35/99/73/1043359973.db2.gz JIFYFHJWJBWRLI-AWEZNQCLSA-N 2 1 333.501 3.614 20 0 EHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)CCc3ccco3)sc2C1 ZINC000344163641 1043359982 /nfs/dbraw/zinc/35/99/82/1043359982.db2.gz JIFYFHJWJBWRLI-AWEZNQCLSA-N 2 1 333.501 3.614 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000344247358 1043511977 /nfs/dbraw/zinc/51/19/77/1043511977.db2.gz PEDCOKAUAWALMY-RZXSNQJFSA-N 2 1 343.515 3.544 20 0 EHADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000344772454 1044406008 /nfs/dbraw/zinc/40/60/08/1044406008.db2.gz NIEPRNGQLJHPGI-UHFFFAOYSA-N 2 1 329.488 3.532 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000122843211 1044521154 /nfs/dbraw/zinc/52/11/54/1044521154.db2.gz LOTRXLDMCPFXJQ-LBPRGKRZSA-N 2 1 328.378 3.863 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H]3CCCF)CCCC2)CC1 ZINC000337984682 1044665521 /nfs/dbraw/zinc/66/55/21/1044665521.db2.gz CALHYJTXEZAMBC-PKOBYXMFSA-N 2 1 340.527 3.918 20 0 EHADMP Cc1noc(C)c1CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000339662125 1126846693 /nfs/dbraw/zinc/84/66/93/1126846693.db2.gz HKXSHQJXFCESPU-JXFKEZNVSA-N 2 1 341.499 3.819 20 0 EHADMP Cc1noc(C)c1CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000339662125 1126846697 /nfs/dbraw/zinc/84/66/97/1126846697.db2.gz HKXSHQJXFCESPU-JXFKEZNVSA-N 2 1 341.499 3.819 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000623336977 1126918939 /nfs/dbraw/zinc/91/89/39/1126918939.db2.gz QFTOOCOCLIPKBU-DOMZBBRYSA-N 2 1 325.294 3.973 20 0 EHADMP CC1CC[NH+]([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337537 1126918952 /nfs/dbraw/zinc/91/89/52/1126918952.db2.gz OIBOSPMYCSUSAM-MSOLQXFVSA-N 2 1 349.588 3.984 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1(C)C ZINC000623364130 1126930878 /nfs/dbraw/zinc/93/08/78/1126930878.db2.gz UWGWVNDKTAUJHP-LJQANCHMSA-N 2 1 343.515 3.778 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1(C)C ZINC000623364130 1126930881 /nfs/dbraw/zinc/93/08/81/1126930881.db2.gz UWGWVNDKTAUJHP-LJQANCHMSA-N 2 1 343.515 3.778 20 0 EHADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623375012 1126938215 /nfs/dbraw/zinc/93/82/15/1126938215.db2.gz YWERONFUVZCUBF-GOSISDBHSA-N 2 1 330.516 3.506 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398701 1126944235 /nfs/dbraw/zinc/94/42/35/1126944235.db2.gz MUABHXXHDHIGSJ-UXHICEINSA-N 2 1 329.532 3.676 20 0 EHADMP C[N@H+]1CC[C@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398700 1126944410 /nfs/dbraw/zinc/94/44/10/1126944410.db2.gz MUABHXXHDHIGSJ-PMACEKPBSA-N 2 1 329.532 3.676 20 0 EHADMP C[N@H+]1CCCC[C@@H](CNCc2c(Cl)cccc2OC(F)F)C1 ZINC000623656629 1127005670 /nfs/dbraw/zinc/00/56/70/1127005670.db2.gz YNVYJJBFAQTDHC-LBPRGKRZSA-N 2 1 332.822 3.763 20 0 EHADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799361 1127180685 /nfs/dbraw/zinc/18/06/85/1127180685.db2.gz WGQIJFYJLHAMTH-IKGGRYGDSA-N 2 1 343.298 3.633 20 0 EHADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000623799361 1127180687 /nfs/dbraw/zinc/18/06/87/1127180687.db2.gz WGQIJFYJLHAMTH-IKGGRYGDSA-N 2 1 343.298 3.633 20 0 EHADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000623860835 1127200152 /nfs/dbraw/zinc/20/01/52/1127200152.db2.gz GTEDQALLPPVYCN-UONOGXRCSA-N 2 1 337.305 3.892 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCCCO1 ZINC000623898694 1127209273 /nfs/dbraw/zinc/20/92/73/1127209273.db2.gz OQAYLEFVDIKWHO-DYESRHJHSA-N 2 1 342.483 3.959 20 0 EHADMP c1nc2c(s1)CCC[C@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000623886310 1127210295 /nfs/dbraw/zinc/21/02/95/1127210295.db2.gz YMQFRYPKBBDRRD-QZTJIDSGSA-N 2 1 341.524 3.675 20 0 EHADMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623951643 1127220994 /nfs/dbraw/zinc/22/09/94/1127220994.db2.gz UICPJTDIQXAJQX-GOSISDBHSA-N 2 1 347.572 3.829 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCCO1 ZINC000623979034 1127226903 /nfs/dbraw/zinc/22/69/03/1127226903.db2.gz OCUWZRWCEMMDSE-SXLOBPIMSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCCCO1 ZINC000623979034 1127226907 /nfs/dbraw/zinc/22/69/07/1127226907.db2.gz OCUWZRWCEMMDSE-SXLOBPIMSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120636 1127255965 /nfs/dbraw/zinc/25/59/65/1127255965.db2.gz DAUSHINFHNETMY-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1sccc1Br ZINC000624120636 1127255967 /nfs/dbraw/zinc/25/59/67/1127255967.db2.gz DAUSHINFHNETMY-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1sccc1Br ZINC000624120636 1127255971 /nfs/dbraw/zinc/25/59/71/1127255971.db2.gz DAUSHINFHNETMY-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123691 1127256552 /nfs/dbraw/zinc/25/65/52/1127256552.db2.gz QQLRMGTZYGFSTJ-MBOZVWFJSA-N 2 1 334.479 3.615 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCCS2 ZINC000624123637 1127256661 /nfs/dbraw/zinc/25/66/61/1127256661.db2.gz PRMHGPZOBGYMBR-CRAIPNDOSA-N 2 1 334.529 3.944 20 0 EHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624124156 1127256685 /nfs/dbraw/zinc/25/66/85/1127256685.db2.gz YQAOPGACAHMZIR-BRWVUGGUSA-N 2 1 334.504 3.517 20 0 EHADMP C[C@H](CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000184504169 1127407117 /nfs/dbraw/zinc/40/71/17/1127407117.db2.gz MXTDPBHAGWCFAG-RTBURBONSA-N 2 1 347.547 3.542 20 0 EHADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000383765966 1127557089 /nfs/dbraw/zinc/55/70/89/1127557089.db2.gz FSLFBMBPQPRCHI-CADBVGFASA-N 2 1 334.454 3.922 20 0 EHADMP COCc1cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000764971249 1127558288 /nfs/dbraw/zinc/55/82/88/1127558288.db2.gz RHHGTRPNBSOIRR-KSZLIROESA-N 2 1 348.531 3.860 20 0 EHADMP CCOc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000765406035 1127608599 /nfs/dbraw/zinc/60/85/99/1127608599.db2.gz LIYOCNXFSOCUMD-FGTMMUONSA-N 2 1 334.504 3.625 20 0 EHADMP Cc1ncc(C[NH+](C)CCCC[N@H+](C)Cc2cnc(C)s2)s1 ZINC000172399729 1127939738 /nfs/dbraw/zinc/93/97/38/1127939738.db2.gz YKJPPGRRZQXLLX-UHFFFAOYSA-N 2 1 338.546 3.560 20 0 EHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000060368539 1128099089 /nfs/dbraw/zinc/09/90/89/1128099089.db2.gz WFXXRBWEUHKMRB-OKILXGFUSA-N 2 1 342.936 3.723 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000060368539 1128099091 /nfs/dbraw/zinc/09/90/91/1128099091.db2.gz WFXXRBWEUHKMRB-OKILXGFUSA-N 2 1 342.936 3.723 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccn(C)n1 ZINC000542671706 1128376910 /nfs/dbraw/zinc/37/69/10/1128376910.db2.gz UZQIVBXSFDEGAI-LJQANCHMSA-N 2 1 326.488 3.647 20 0 EHADMP CCCCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000765799265 1128380864 /nfs/dbraw/zinc/38/08/64/1128380864.db2.gz VMJLFVNZNIARTM-OAQYLSRUSA-N 2 1 331.548 3.925 20 0 EHADMP Clc1ccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166387513 1128453644 /nfs/dbraw/zinc/45/36/44/1128453644.db2.gz VQJQXESDEAJYQM-HUUCEWRRSA-N 2 1 343.298 3.979 20 0 EHADMP C[C@@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655836306 1128492647 /nfs/dbraw/zinc/49/26/47/1128492647.db2.gz HSQFJGMLJMTLMO-IRFPFTSISA-N 2 1 335.495 3.798 20 0 EHADMP CC1(C)CCCN(c2cc[nH+]c(NC3CC[NH+](C4CCC4)CC3)n2)C1 ZINC000656197453 1128808703 /nfs/dbraw/zinc/80/87/03/1128808703.db2.gz KRLBJNBDMJIVSG-UHFFFAOYSA-N 2 1 343.519 3.532 20 0 EHADMP COC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000160134284 1120208967 /nfs/dbraw/zinc/20/89/67/1120208967.db2.gz SNQHKJYROHGOJF-UHFFFAOYSA-N 2 1 345.487 3.752 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000310424698 1128910260 /nfs/dbraw/zinc/91/02/60/1128910260.db2.gz ZUTVFXHXTGVCJV-PMACEKPBSA-N 2 1 328.500 3.590 20 0 EHADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186835614 1120476609 /nfs/dbraw/zinc/47/66/09/1120476609.db2.gz IOHCPEYUWCHODT-RTWAWAEBSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCSCC1 ZINC000187155348 1120487920 /nfs/dbraw/zinc/48/79/20/1120487920.db2.gz JODQDOYIJITGAA-HKUYNNGSSA-N 2 1 332.557 3.672 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191132812 1120662085 /nfs/dbraw/zinc/66/20/85/1120662085.db2.gz BQOIQFYDVHEKJN-QGZVFWFLSA-N 2 1 328.504 3.945 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191132812 1120662088 /nfs/dbraw/zinc/66/20/88/1120662088.db2.gz BQOIQFYDVHEKJN-QGZVFWFLSA-N 2 1 328.504 3.945 20 0 EHADMP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000494740338 1120755951 /nfs/dbraw/zinc/75/59/51/1120755951.db2.gz OYCDMYHMMGRLLL-XEEYPJAOSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001168470394 1120840760 /nfs/dbraw/zinc/84/07/60/1120840760.db2.gz XZJXTYHASGIMTM-HNNXBMFYSA-N 2 1 330.422 3.846 20 0 EHADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000542519770 1120888588 /nfs/dbraw/zinc/88/85/88/1120888588.db2.gz LKSCKKRPEDXDKX-FGZHOGPDSA-N 2 1 344.543 3.568 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000494964797 1120920885 /nfs/dbraw/zinc/92/08/85/1120920885.db2.gz SLGRWQYGKACLDZ-VQTJNVASSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000494964797 1120920889 /nfs/dbraw/zinc/92/08/89/1120920889.db2.gz SLGRWQYGKACLDZ-VQTJNVASSA-N 2 1 330.541 3.728 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCSC4)C3)C2)cc1 ZINC000494964797 1120920893 /nfs/dbraw/zinc/92/08/93/1120920893.db2.gz SLGRWQYGKACLDZ-VQTJNVASSA-N 2 1 330.541 3.728 20 0 EHADMP CCc1nc2cc(C[NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)ccc2n1C1CC1 ZINC000338777905 1128958903 /nfs/dbraw/zinc/95/89/03/1128958903.db2.gz IJMDUFXREWRTNG-YJBOKZPZSA-N 2 1 340.515 3.754 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873122 1121552021 /nfs/dbraw/zinc/55/20/21/1121552021.db2.gz FZSNVBCMLUOLPW-QAPCUYQASA-N 2 1 347.503 3.772 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000670272097 1121909538 /nfs/dbraw/zinc/90/95/38/1121909538.db2.gz BWFOJGGVVAJTOY-FQEVSTJZSA-N 2 1 336.414 3.646 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000670272097 1121909543 /nfs/dbraw/zinc/90/95/43/1121909543.db2.gz BWFOJGGVVAJTOY-FQEVSTJZSA-N 2 1 336.414 3.646 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(Br)cc1F)C[NH+]1CCCCC1 ZINC000037997540 1122247133 /nfs/dbraw/zinc/24/71/33/1122247133.db2.gz DKRYOYFUPOUUGQ-CYBMUJFWSA-N 2 1 343.284 3.800 20 0 EHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(Br)c2)CC1 ZINC000125243096 1122310330 /nfs/dbraw/zinc/31/03/30/1122310330.db2.gz PBGWZTXOGNEHMW-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(Br)c2)CC1 ZINC000125243096 1122310332 /nfs/dbraw/zinc/31/03/32/1122310332.db2.gz PBGWZTXOGNEHMW-UHFFFAOYSA-N 2 1 325.294 3.674 20 0 EHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000126537605 1122411774 /nfs/dbraw/zinc/41/17/74/1122411774.db2.gz QICYJCBLBVYYPV-KDOFPFPSSA-N 2 1 334.891 3.936 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234022 1122887104 /nfs/dbraw/zinc/88/71/04/1122887104.db2.gz UHBGFQWODPRQKT-IFMALSPDSA-N 3 1 343.559 3.753 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556234022 1122887110 /nfs/dbraw/zinc/88/71/10/1122887110.db2.gz UHBGFQWODPRQKT-IFMALSPDSA-N 3 1 343.559 3.753 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113783 1123046394 /nfs/dbraw/zinc/04/63/94/1123046394.db2.gz JDHJCMUNKCTLQC-VXGBXAGGSA-N 2 1 341.268 3.723 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)cc1Br ZINC001236212861 1123090925 /nfs/dbraw/zinc/09/09/25/1123090925.db2.gz AEHXOVNCYSQHLG-HZPDHXFCSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)cc1Br ZINC001236212861 1123090929 /nfs/dbraw/zinc/09/09/29/1123090929.db2.gz AEHXOVNCYSQHLG-HZPDHXFCSA-N 2 1 325.294 3.768 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@H]2CCC[C@@H]21 ZINC000556870642 1123160081 /nfs/dbraw/zinc/16/00/81/1123160081.db2.gz HEZIZOGWXDHSQP-RDBSUJKOSA-N 2 1 343.334 3.516 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]3C(C)C)CC2)cs1 ZINC000556872901 1123163138 /nfs/dbraw/zinc/16/31/38/1123163138.db2.gz SEKSORXAWYGORL-QZTJIDSGSA-N 2 1 335.561 3.942 20 0 EHADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132414135 1123225859 /nfs/dbraw/zinc/22/58/59/1123225859.db2.gz BRSMMQPICFEHNY-INIZCTEOSA-N 2 1 327.394 3.552 20 0 EHADMP COc1c(C)cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000920176624 1123332579 /nfs/dbraw/zinc/33/25/79/1123332579.db2.gz WLKZBGSRKZBFFT-UHFFFAOYSA-N 2 1 326.484 3.924 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+](C)C ZINC000237102062 1123493814 /nfs/dbraw/zinc/49/38/14/1123493814.db2.gz YCXFYSQFFHGIRA-UHFFFAOYSA-N 2 1 348.494 3.889 20 0 EHADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000137073770 1123748740 /nfs/dbraw/zinc/74/87/40/1123748740.db2.gz QWQBNAIIMYSKJH-LBPRGKRZSA-N 2 1 343.696 3.676 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000163457512 1123879837 /nfs/dbraw/zinc/87/98/37/1123879837.db2.gz UXWFXOROQLJNTB-RDJZCZTQSA-N 2 1 329.488 3.517 20 0 EHADMP CC(C)C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000245661256 1123914848 /nfs/dbraw/zinc/91/48/48/1123914848.db2.gz FUDHGUXCUGENAZ-LRSLUSHPSA-N 2 1 343.559 3.748 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000246120236 1124026999 /nfs/dbraw/zinc/02/69/99/1124026999.db2.gz QOCYTIUOOHGQIX-RXVVDRJESA-N 2 1 348.506 3.884 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H](C)C1 ZINC000246894164 1124564465 /nfs/dbraw/zinc/56/44/65/1124564465.db2.gz FNBGDRPEONXGIN-JXFKEZNVSA-N 2 1 343.515 3.635 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H](C)C1 ZINC000246894164 1124564479 /nfs/dbraw/zinc/56/44/79/1124564479.db2.gz FNBGDRPEONXGIN-JXFKEZNVSA-N 2 1 343.515 3.635 20 0 EHADMP C[C@H](CCc1ccccc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247112785 1124588996 /nfs/dbraw/zinc/58/89/96/1124588996.db2.gz TZJXYVHMBHHLNK-KURKYZTESA-N 2 1 336.495 3.626 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000248046602 1124636775 /nfs/dbraw/zinc/63/67/75/1124636775.db2.gz VDXRGILABDWVEH-YJBOKZPZSA-N 2 1 329.513 3.673 20 0 EHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248897652 1124714657 /nfs/dbraw/zinc/71/46/57/1124714657.db2.gz VMZSYCHCSHEMAI-AEFFLSMTSA-N 2 1 336.495 3.677 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089614286 1124827465 /nfs/dbraw/zinc/82/74/65/1124827465.db2.gz DJERIDGMNUWBRS-VQIMIIECSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089614286 1124827486 /nfs/dbraw/zinc/82/74/86/1124827486.db2.gz DJERIDGMNUWBRS-VQIMIIECSA-N 2 1 335.923 3.503 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449073823 1124940721 /nfs/dbraw/zinc/94/07/21/1124940721.db2.gz AHKGCMJFRSWDQJ-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C1 ZINC000449073823 1124940728 /nfs/dbraw/zinc/94/07/28/1124940728.db2.gz AHKGCMJFRSWDQJ-INIZCTEOSA-N 2 1 327.447 3.742 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000091336526 1124977168 /nfs/dbraw/zinc/97/71/68/1124977168.db2.gz QOCYTIUOOHGQIX-NQIIRXRSSA-N 2 1 348.506 3.884 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+](C)C2CCCCC2)o1 ZINC000069953130 1125126071 /nfs/dbraw/zinc/12/60/71/1125126071.db2.gz IHNUZNKPSINUNK-UHFFFAOYSA-N 2 1 330.476 3.722 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+](C)C2CCCCC2)o1 ZINC000069953130 1125126078 /nfs/dbraw/zinc/12/60/78/1125126078.db2.gz IHNUZNKPSINUNK-UHFFFAOYSA-N 2 1 330.476 3.722 20 0 EHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCC2CCCCC2)CC1 ZINC000619177474 1125303654 /nfs/dbraw/zinc/30/36/54/1125303654.db2.gz KPIMVEMREGUGJW-UHFFFAOYSA-N 2 1 344.503 3.523 20 0 EHADMP Fc1ccccc1COc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000619757636 1125395955 /nfs/dbraw/zinc/39/59/55/1125395955.db2.gz SPOARNNUXITYBQ-UHFFFAOYSA-N 2 1 342.458 3.980 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(C)c1F ZINC000765974977 1129346261 /nfs/dbraw/zinc/34/62/61/1129346261.db2.gz JUPMKEDVRRKBRF-QFBILLFUSA-N 2 1 334.479 3.737 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2c(s1)CCCC2 ZINC000765979861 1129431816 /nfs/dbraw/zinc/43/18/16/1129431816.db2.gz XPZPHMJYWHPFOY-CRAIPNDOSA-N 2 1 348.556 3.921 20 0 EHADMP Cc1c([C@@H](C)NCC[C@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473387 1129510493 /nfs/dbraw/zinc/51/04/93/1129510493.db2.gz GFAITRLENLKYAL-CRAIPNDOSA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473387 1129510496 /nfs/dbraw/zinc/51/04/96/1129510496.db2.gz GFAITRLENLKYAL-CRAIPNDOSA-N 2 1 344.478 3.845 20 0 EHADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000543473387 1129510497 /nfs/dbraw/zinc/51/04/97/1129510497.db2.gz GFAITRLENLKYAL-CRAIPNDOSA-N 2 1 344.478 3.845 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000499938668 1129579832 /nfs/dbraw/zinc/57/98/32/1129579832.db2.gz KXOONUCLZRWJRX-UHFFFAOYSA-N 2 1 332.488 3.560 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000499938668 1129579833 /nfs/dbraw/zinc/57/98/33/1129579833.db2.gz KXOONUCLZRWJRX-UHFFFAOYSA-N 2 1 332.488 3.560 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000673914758 1129905081 /nfs/dbraw/zinc/90/50/81/1129905081.db2.gz AHAUSNDLYQIJOF-INIZCTEOSA-N 2 1 343.471 3.514 20 0 EHADMP CN(c1ccccc1C[NH2+]Cc1ccc(Cl)o1)C1CC[NH+](C)CC1 ZINC000675335352 1130312727 /nfs/dbraw/zinc/31/27/27/1130312727.db2.gz YAFVDONORKJDIA-UHFFFAOYSA-N 2 1 347.890 3.753 20 0 EHADMP Clc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000703878845 1130411260 /nfs/dbraw/zinc/41/12/60/1130411260.db2.gz MVBYTSCKCJFUQD-FFZOFVMBSA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000703878845 1130411264 /nfs/dbraw/zinc/41/12/64/1130411264.db2.gz MVBYTSCKCJFUQD-FFZOFVMBSA-N 2 1 341.886 3.735 20 0 EHADMP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000703878845 1130411270 /nfs/dbraw/zinc/41/12/70/1130411270.db2.gz MVBYTSCKCJFUQD-FFZOFVMBSA-N 2 1 341.886 3.735 20 0 EHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752541 1130464874 /nfs/dbraw/zinc/46/48/74/1130464874.db2.gz YIXNONCEBWVYTI-XYPHTWIQSA-N 2 1 326.406 3.853 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000675751956 1130465289 /nfs/dbraw/zinc/46/52/89/1130465289.db2.gz IQYRXUXTEZZRBY-HRCADAONSA-N 2 1 349.906 3.582 20 0 EHADMP Cc1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000675749713 1130469904 /nfs/dbraw/zinc/46/99/04/1130469904.db2.gz XVDQJWDCUIWORX-SJLPKXTDSA-N 2 1 329.513 3.637 20 0 EHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881807 1130500947 /nfs/dbraw/zinc/50/09/47/1130500947.db2.gz NPQAGNVCJQCRMR-LEWJYISDSA-N 2 1 348.506 3.626 20 0 EHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561444 1131771947 /nfs/dbraw/zinc/77/19/47/1131771947.db2.gz WKVIJTHBHWPJFB-MOPGFXCFSA-N 3 1 331.548 3.798 20 0 EHADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172563142 1131773477 /nfs/dbraw/zinc/77/34/77/1131773477.db2.gz IAVQEUKBWXWXEN-KNQAVFIVSA-N 2 1 342.527 3.898 20 0 EHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172859728 1131876966 /nfs/dbraw/zinc/87/69/66/1131876966.db2.gz VZLMKEPATAJYMF-CQSZACIVSA-N 2 1 347.865 3.755 20 0 EHADMP CO[C@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172941635 1131912255 /nfs/dbraw/zinc/91/22/55/1131912255.db2.gz GDJDCSRGYGGBMJ-SFTDATJTSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1CCC2(CCOCC2)CC1 ZINC001173049063 1131942613 /nfs/dbraw/zinc/94/26/13/1131942613.db2.gz JVQOICSZXGUGHN-UHFFFAOYSA-N 2 1 343.515 3.688 20 0 EHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001173084984 1131962290 /nfs/dbraw/zinc/96/22/90/1131962290.db2.gz FVKNLHJFEJGSRU-ZFWWWQNUSA-N 2 1 330.394 3.590 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC001173108867 1131969206 /nfs/dbraw/zinc/96/92/06/1131969206.db2.gz SOMFZANVVZSNQT-CBNMVNINSA-N 2 1 329.532 3.628 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC001173108869 1131969364 /nfs/dbraw/zinc/96/93/64/1131969364.db2.gz SOMFZANVVZSNQT-XVAXZDLZSA-N 2 1 329.532 3.628 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001173111695 1131970129 /nfs/dbraw/zinc/97/01/29/1131970129.db2.gz KAXZXPJLOBPNSR-CBNMVNINSA-N 2 1 330.516 3.931 20 0 EHADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846774 1131984383 /nfs/dbraw/zinc/98/43/83/1131984383.db2.gz YGVGYGWDHMETIB-PZJWPPBQSA-N 2 1 330.516 3.616 20 0 EHADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000743846774 1131984390 /nfs/dbraw/zinc/98/43/90/1131984390.db2.gz YGVGYGWDHMETIB-PZJWPPBQSA-N 2 1 330.516 3.616 20 0 EHADMP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC001173270456 1132024856 /nfs/dbraw/zinc/02/48/56/1132024856.db2.gz CILPWSBWTVEQCR-FXAWDEMLSA-N 2 1 330.516 3.870 20 0 EHADMP CCN1CC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173356644 1132061933 /nfs/dbraw/zinc/06/19/33/1132061933.db2.gz GADCQIQATNXSBV-GUDVDZBRSA-N 2 1 335.923 3.506 20 0 EHADMP CC[N@H+]1CC[C@@H](N2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)C1 ZINC001173360019 1132062658 /nfs/dbraw/zinc/06/26/58/1132062658.db2.gz HHFKUQAEAGCQPY-GOSISDBHSA-N 2 1 347.572 3.520 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001173438239 1132069219 /nfs/dbraw/zinc/06/92/19/1132069219.db2.gz ZEWIMNPIMXJIGC-NSHGMRRFSA-N 2 1 346.515 3.751 20 0 EHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001173438239 1132069225 /nfs/dbraw/zinc/06/92/25/1132069225.db2.gz ZEWIMNPIMXJIGC-NSHGMRRFSA-N 2 1 346.515 3.751 20 0 EHADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001173456096 1132081530 /nfs/dbraw/zinc/08/15/30/1132081530.db2.gz ZGLKQKGFEMFQIC-GOSISDBHSA-N 2 1 346.515 3.705 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000381145698 1132472759 /nfs/dbraw/zinc/47/27/59/1132472759.db2.gz VYPSVHMDRVZRDC-PWRODBHTSA-N 2 1 342.527 3.836 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCNc3ccccc31)C2 ZINC000192634076 1132474932 /nfs/dbraw/zinc/47/49/32/1132474932.db2.gz AEHPTMCDJAJQJW-JOCHJYFZSA-N 2 1 335.495 3.971 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCNc3ccccc31)C2 ZINC000192634076 1132474937 /nfs/dbraw/zinc/47/49/37/1132474937.db2.gz AEHPTMCDJAJQJW-JOCHJYFZSA-N 2 1 335.495 3.971 20 0 EHADMP CCN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001168992604 1132626243 /nfs/dbraw/zinc/62/62/43/1132626243.db2.gz GMKCPQFJCPKGRC-RZUBCFFCSA-N 2 1 343.559 3.561 20 0 EHADMP CCN(CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001168992604 1132626247 /nfs/dbraw/zinc/62/62/47/1132626247.db2.gz GMKCPQFJCPKGRC-RZUBCFFCSA-N 2 1 343.559 3.561 20 0 EHADMP CCN(CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001168992604 1132626249 /nfs/dbraw/zinc/62/62/49/1132626249.db2.gz GMKCPQFJCPKGRC-RZUBCFFCSA-N 2 1 343.559 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117320 1132661615 /nfs/dbraw/zinc/66/16/15/1132661615.db2.gz YGVLYXCSRPJGMP-PNBKFKSVSA-N 2 1 339.405 3.766 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119913 1132663736 /nfs/dbraw/zinc/66/37/36/1132663736.db2.gz YKRCXBANGJAMIU-PLACYPQZSA-N 2 1 328.500 3.759 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CCOCC1)c1cccc(F)c1)C2 ZINC001169109569 1132670856 /nfs/dbraw/zinc/67/08/56/1132670856.db2.gz DLXDDRMHHCMBCW-PLACYPQZSA-N 2 1 346.490 3.898 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Br)cc3)CC1)C2 ZINC001169109168 1132671193 /nfs/dbraw/zinc/67/11/93/1132671193.db2.gz ZFXGVEOQUBTJHN-PHZGNYQRSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Br)cc3)CC1)C2 ZINC001169109168 1132671196 /nfs/dbraw/zinc/67/11/96/1132671196.db2.gz ZFXGVEOQUBTJHN-PHZGNYQRSA-N 2 1 335.289 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[NH+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115574 1132672429 /nfs/dbraw/zinc/67/24/29/1132672429.db2.gz LCQXPQNEHNHHMR-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115574 1132672434 /nfs/dbraw/zinc/67/24/34/1132672434.db2.gz LCQXPQNEHNHHMR-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115574 1132672438 /nfs/dbraw/zinc/67/24/38/1132672438.db2.gz LCQXPQNEHNHHMR-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115574 1132672441 /nfs/dbraw/zinc/67/24/41/1132672441.db2.gz LCQXPQNEHNHHMR-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115574 1132672448 /nfs/dbraw/zinc/67/24/48/1132672448.db2.gz LCQXPQNEHNHHMR-BURNTYAHSA-N 2 1 341.543 3.502 20 0 EHADMP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144668 1132675663 /nfs/dbraw/zinc/67/56/63/1132675663.db2.gz LRGVYNBEHZAKQF-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144668 1132675667 /nfs/dbraw/zinc/67/56/67/1132675667.db2.gz LRGVYNBEHZAKQF-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP CC[NH+](Cc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144668 1132675672 /nfs/dbraw/zinc/67/56/72/1132675672.db2.gz LRGVYNBEHZAKQF-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169280014 1132714167 /nfs/dbraw/zinc/71/41/67/1132714167.db2.gz JSMPVXHQACQCLD-GUMHCPJTSA-N 2 1 344.499 3.617 20 0 EHADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715550 1132741062 /nfs/dbraw/zinc/74/10/62/1132741062.db2.gz QESIXQLZVNNQAI-DOTOQJQBSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715550 1132741068 /nfs/dbraw/zinc/74/10/68/1132741068.db2.gz QESIXQLZVNNQAI-DOTOQJQBSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715550 1132741072 /nfs/dbraw/zinc/74/10/72/1132741072.db2.gz QESIXQLZVNNQAI-DOTOQJQBSA-N 2 1 338.923 3.609 20 0 EHADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715550 1132741075 /nfs/dbraw/zinc/74/10/75/1132741075.db2.gz QESIXQLZVNNQAI-DOTOQJQBSA-N 2 1 338.923 3.609 20 0 EHADMP CC[NH+]1CCN(c2ccc(Nc3c(C)[nH+]c4ccccn43)cc2)CC1 ZINC001175783831 1132766925 /nfs/dbraw/zinc/76/69/25/1132766925.db2.gz WJNYETVFGNUEQO-UHFFFAOYSA-N 2 1 335.455 3.528 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001175821705 1132778045 /nfs/dbraw/zinc/77/80/45/1132778045.db2.gz NZIRCBHWVYNIDJ-MRXNPFEDSA-N 2 1 333.426 3.899 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001175821705 1132778049 /nfs/dbraw/zinc/77/80/49/1132778049.db2.gz NZIRCBHWVYNIDJ-MRXNPFEDSA-N 2 1 333.426 3.899 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NCc3c[nH+]ccc3N(C)C)cc2)C1 ZINC001177341202 1133056991 /nfs/dbraw/zinc/05/69/91/1133056991.db2.gz BLKMXADMMSNYRD-KRWDZBQOSA-N 2 1 338.499 3.992 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC001177541801 1133079621 /nfs/dbraw/zinc/07/96/21/1133079621.db2.gz DDZVITRWKKRZLX-CYBMUJFWSA-N 2 1 345.712 3.924 20 0 EHADMP C[C@H]1C[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026696 1133090635 /nfs/dbraw/zinc/09/06/35/1133090635.db2.gz UBRXNEUCHDWGAO-QWRGUYRKSA-N 2 1 335.801 3.561 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026694 1133090694 /nfs/dbraw/zinc/09/06/94/1133090694.db2.gz UBRXNEUCHDWGAO-MNOVXSKESA-N 2 1 335.801 3.561 20 0 EHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)CCCO2 ZINC000768102991 1133095516 /nfs/dbraw/zinc/09/55/16/1133095516.db2.gz VKJGWHXYJPDPRT-BEFAXECRSA-N 2 1 327.472 3.894 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001177795209 1133103314 /nfs/dbraw/zinc/10/33/14/1133103314.db2.gz PLJDNSVGGQQFSP-SESVDKBCSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001177795209 1133103318 /nfs/dbraw/zinc/10/33/18/1133103318.db2.gz PLJDNSVGGQQFSP-SESVDKBCSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001177795209 1133103324 /nfs/dbraw/zinc/10/33/24/1133103324.db2.gz PLJDNSVGGQQFSP-SESVDKBCSA-N 2 1 329.532 3.676 20 0 EHADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001177795209 1133103328 /nfs/dbraw/zinc/10/33/28/1133103328.db2.gz PLJDNSVGGQQFSP-SESVDKBCSA-N 2 1 329.532 3.676 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C[C@@H](c2ccccc2)C1 ZINC001177864500 1133108259 /nfs/dbraw/zinc/10/82/59/1133108259.db2.gz LWNAQOVETAYLHS-QESAQDPVSA-N 2 1 344.543 3.785 20 0 EHADMP COc1cc(C)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000768197690 1133112531 /nfs/dbraw/zinc/11/25/31/1133112531.db2.gz LZNXWHSTKUILCO-UHFFFAOYSA-N 2 1 342.483 3.706 20 0 EHADMP CC(C)[NH+](CCCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC001177950485 1133120701 /nfs/dbraw/zinc/12/07/01/1133120701.db2.gz WLQGZKABMBPAID-TZIWHRDSSA-N 2 1 331.548 3.920 20 0 EHADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC001178457858 1133170031 /nfs/dbraw/zinc/17/00/31/1133170031.db2.gz FJGHKLNUMHZNJO-AEFFLSMTSA-N 2 1 344.499 3.524 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)s1 ZINC001178917339 1133213014 /nfs/dbraw/zinc/21/30/14/1133213014.db2.gz YUWZHTXTGMISNG-WMZOPIPTSA-N 2 1 329.513 3.734 20 0 EHADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OCCC(C)C ZINC001179159502 1133233201 /nfs/dbraw/zinc/23/32/01/1133233201.db2.gz MTCYDSOVBLSNJW-LJQANCHMSA-N 2 1 348.531 3.942 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338947 1133246215 /nfs/dbraw/zinc/24/62/15/1133246215.db2.gz PBECVYCGTFDUHT-RXVVDRJESA-N 2 1 349.522 3.818 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccc2c1CCCC2 ZINC001179338947 1133246219 /nfs/dbraw/zinc/24/62/19/1133246219.db2.gz PBECVYCGTFDUHT-RXVVDRJESA-N 2 1 349.522 3.818 20 0 EHADMP FC(F)C1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000769553324 1133313594 /nfs/dbraw/zinc/31/35/94/1133313594.db2.gz HJHSCKINPZLOCD-ARZKPCJCSA-N 2 1 334.454 3.920 20 0 EHADMP CC[C@]1(O)CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001181073189 1133453965 /nfs/dbraw/zinc/45/39/65/1133453965.db2.gz NMYXYQUVNDFRTK-YADHBBJMSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@]1(O)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001181073189 1133453968 /nfs/dbraw/zinc/45/39/68/1133453968.db2.gz NMYXYQUVNDFRTK-YADHBBJMSA-N 2 1 344.543 3.772 20 0 EHADMP CC[C@]1(O)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001181073189 1133453972 /nfs/dbraw/zinc/45/39/72/1133453972.db2.gz NMYXYQUVNDFRTK-YADHBBJMSA-N 2 1 344.543 3.772 20 0 EHADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001181427904 1133485751 /nfs/dbraw/zinc/48/57/51/1133485751.db2.gz QLKJZIHMNCBZCL-PZJWPPBQSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN(Cc2ccccc2)C1 ZINC001181427904 1133485754 /nfs/dbraw/zinc/48/57/54/1133485754.db2.gz QLKJZIHMNCBZCL-PZJWPPBQSA-N 2 1 343.559 3.609 20 0 EHADMP COC(OC)[C@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183364000 1133795018 /nfs/dbraw/zinc/79/50/18/1133795018.db2.gz REMOATBKDQOXSJ-UWJYYQICSA-N 2 1 348.531 3.522 20 0 EHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001170063544 1133891653 /nfs/dbraw/zinc/89/16/53/1133891653.db2.gz DYYJEFIQFWIMPT-TYPHKJRUSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001170063544 1133891659 /nfs/dbraw/zinc/89/16/59/1133891659.db2.gz DYYJEFIQFWIMPT-TYPHKJRUSA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001170063543 1133891870 /nfs/dbraw/zinc/89/18/70/1133891870.db2.gz DYYJEFIQFWIMPT-NRSPTQNISA-N 2 1 332.532 3.674 20 0 EHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001170063543 1133891875 /nfs/dbraw/zinc/89/18/75/1133891875.db2.gz DYYJEFIQFWIMPT-NRSPTQNISA-N 2 1 332.532 3.674 20 0 EHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CCCC(C)C)C2 ZINC001170079936 1134056624 /nfs/dbraw/zinc/05/66/24/1134056624.db2.gz GVVXLDGHGHELSQ-HLAWJBBLSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CCCC(C)C)C2 ZINC001170079936 1134056630 /nfs/dbraw/zinc/05/66/30/1134056630.db2.gz GVVXLDGHGHELSQ-HLAWJBBLSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CCCC(C)C)C2 ZINC001170079936 1134056635 /nfs/dbraw/zinc/05/66/35/1134056635.db2.gz GVVXLDGHGHELSQ-HLAWJBBLSA-N 2 1 336.564 3.882 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000775095063 1134306042 /nfs/dbraw/zinc/30/60/42/1134306042.db2.gz APILNYUFRPJZFL-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000775095063 1134306049 /nfs/dbraw/zinc/30/60/49/1134306049.db2.gz APILNYUFRPJZFL-UHFFFAOYSA-N 2 1 337.305 3.818 20 0 EHADMP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000790749346 1134461716 /nfs/dbraw/zinc/46/17/16/1134461716.db2.gz VJNDUHOFWXVPET-KRWDZBQOSA-N 2 1 340.515 3.953 20 0 EHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[NH+]1CCC(C)CC1 ZINC000775370360 1134674266 /nfs/dbraw/zinc/67/42/66/1134674266.db2.gz URUWNDADHITSER-BDXSIMOUSA-N 2 1 342.618 3.712 20 0 EHADMP CC[N@H+](CCc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001190355848 1134687944 /nfs/dbraw/zinc/68/79/44/1134687944.db2.gz GSPAROAXSJMXQI-UHFFFAOYSA-N 2 1 338.495 3.583 20 0 EHADMP CC[N@@H+](CCc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001190355848 1134687948 /nfs/dbraw/zinc/68/79/48/1134687948.db2.gz GSPAROAXSJMXQI-UHFFFAOYSA-N 2 1 338.495 3.583 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775378467 1134692368 /nfs/dbraw/zinc/69/23/68/1134692368.db2.gz JVJKBJQBCSSGSU-ZHCJQAHYSA-N 2 1 342.618 3.712 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775378467 1134692372 /nfs/dbraw/zinc/69/23/72/1134692372.db2.gz JVJKBJQBCSSGSU-ZHCJQAHYSA-N 2 1 342.618 3.712 20 0 EHADMP CO[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC001170413070 1134772965 /nfs/dbraw/zinc/77/29/65/1134772965.db2.gz VOLVKUJEUMSJNT-UGKGYDQZSA-N 2 1 344.543 3.688 20 0 EHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001170413568 1134773463 /nfs/dbraw/zinc/77/34/63/1134773463.db2.gz VYFZTYCJAMZWRQ-KRWDZBQOSA-N 2 1 332.488 3.720 20 0 EHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001170413583 1134773604 /nfs/dbraw/zinc/77/36/04/1134773604.db2.gz VYFZTYCJAMZWRQ-QGZVFWFLSA-N 2 1 332.488 3.720 20 0 EHADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000793522886 1134946142 /nfs/dbraw/zinc/94/61/42/1134946142.db2.gz GOENDIRQDNOTQJ-ROUUACIJSA-N 2 1 340.515 3.954 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cn1 ZINC000775492902 1134946929 /nfs/dbraw/zinc/94/69/29/1134946929.db2.gz QKHSFPJXGOCXKP-GFCCVEGCSA-N 2 1 326.366 3.786 20 0 EHADMP Cc1cc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793535953 1134951045 /nfs/dbraw/zinc/95/10/45/1134951045.db2.gz UKTDUNHFMFNPTN-BQFCYCMXSA-N 2 1 340.515 3.536 20 0 EHADMP C[C@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775495816 1134951557 /nfs/dbraw/zinc/95/15/57/1134951557.db2.gz CFKGKPQKPYYGQF-UGKGYDQZSA-N 2 1 349.522 3.549 20 0 EHADMP CN(CC[N@@H+](C)Cc1ccc(C2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC001192964020 1135084468 /nfs/dbraw/zinc/08/44/68/1135084468.db2.gz HBVJFQLEXIKDRQ-UHFFFAOYSA-N 2 1 343.559 3.802 20 0 EHADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc(C(F)(F)F)cc1 ZINC001193848163 1135195266 /nfs/dbraw/zinc/19/52/66/1135195266.db2.gz BNNDSKODQFQXHB-UHFFFAOYSA-N 2 1 330.394 3.502 20 0 EHADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc(C(F)(F)F)cc1 ZINC001193848163 1135195268 /nfs/dbraw/zinc/19/52/68/1135195268.db2.gz BNNDSKODQFQXHB-UHFFFAOYSA-N 2 1 330.394 3.502 20 0 EHADMP CCCC[C@H](CC)COC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001193950606 1135212792 /nfs/dbraw/zinc/21/27/92/1135212792.db2.gz BWNQKROJTOMLDO-INIZCTEOSA-N 2 1 348.491 3.598 20 0 EHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3cccc(Cl)c3)C2)C1 ZINC001203797965 1135288769 /nfs/dbraw/zinc/28/87/69/1135288769.db2.gz SDIJUGVQIUBQJD-LJQANCHMSA-N 2 1 336.907 3.663 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC[C@@H](O)c2ccccc2)CC1 ZINC001196936136 1135631313 /nfs/dbraw/zinc/63/13/13/1135631313.db2.gz QDOSKBKAVHKERQ-NHCUHLMSSA-N 2 1 330.516 3.697 20 0 EHADMP CN1CCC([N@H+](Cc2ccc(F)cc2)Cc2cccc(O)c2)CC1 ZINC001203866146 1135641040 /nfs/dbraw/zinc/64/10/40/1135641040.db2.gz IJSVSFHLAQAIFG-UHFFFAOYSA-N 2 1 328.431 3.628 20 0 EHADMP c1cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc1C[NH+]1CCCCC1 ZINC001197033520 1135643133 /nfs/dbraw/zinc/64/31/33/1135643133.db2.gz WJKWCGOIORVLLQ-UXHICEINSA-N 2 1 330.541 3.857 20 0 EHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@H](O)c3ccccc3)C2)CC1 ZINC000808714800 1135719740 /nfs/dbraw/zinc/71/97/40/1135719740.db2.gz CAIVWCLNWYOWNA-FPOVZHCZSA-N 2 1 330.516 3.554 20 0 EHADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCCC34CCOCC4)CC2)[nH+]c1C ZINC001197845094 1135741565 /nfs/dbraw/zinc/74/15/65/1135741565.db2.gz SFSQLJNXLQCFRM-GOSISDBHSA-N 2 1 331.504 3.803 20 0 EHADMP CC[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC001199069201 1135878312 /nfs/dbraw/zinc/87/83/12/1135878312.db2.gz RGVXWDAKLMXSMM-MRXNPFEDSA-N 2 1 334.504 3.835 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1F ZINC001199666538 1135918491 /nfs/dbraw/zinc/91/84/91/1135918491.db2.gz BZLCXLKUUJOFPO-APWZRJJASA-N 2 1 331.435 3.613 20 0 EHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126855 1135924006 /nfs/dbraw/zinc/92/40/06/1135924006.db2.gz NROQFJSMFMLMST-PKOBYXMFSA-N 2 1 343.515 3.729 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001201572461 1136042364 /nfs/dbraw/zinc/04/23/64/1136042364.db2.gz KDXGWFNYAUQNRQ-ZWKOTPCHSA-N 2 1 338.536 3.552 20 0 EHADMP CC(C)(C)CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001202072954 1136088832 /nfs/dbraw/zinc/08/88/32/1136088832.db2.gz GMKXDQQMYGOWEG-IRLDBZIGSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)(C)CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001202072954 1136088835 /nfs/dbraw/zinc/08/88/35/1136088835.db2.gz GMKXDQQMYGOWEG-IRLDBZIGSA-N 2 1 348.575 3.883 20 0 EHADMP CC(C)(C)CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001202072954 1136088837 /nfs/dbraw/zinc/08/88/37/1136088837.db2.gz GMKXDQQMYGOWEG-IRLDBZIGSA-N 2 1 348.575 3.883 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000813881659 1136372023 /nfs/dbraw/zinc/37/20/23/1136372023.db2.gz RLMJONJRCPVOHM-FWZVCBSNSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851812313 1136411009 /nfs/dbraw/zinc/41/10/09/1136411009.db2.gz HNDPIAMPBDAQHV-PKOBYXMFSA-N 2 1 338.536 3.505 20 0 EHADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000854223813 1136598927 /nfs/dbraw/zinc/59/89/27/1136598927.db2.gz WQRJZLYJZBNGFG-KMZOKZLKSA-N 2 1 344.396 3.982 20 0 EHADMP CC1(C)OCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000815629296 1136621230 /nfs/dbraw/zinc/62/12/30/1136621230.db2.gz ZFLAWBYPZONTIZ-NXEWRWPSSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@@H]1[C@H](OC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468822 1136719713 /nfs/dbraw/zinc/71/97/13/1136719713.db2.gz NJUBEIZDQTWOFX-OXQOHEQNSA-N 2 1 349.434 3.544 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000429527625 1136751304 /nfs/dbraw/zinc/75/13/04/1136751304.db2.gz MXBGNVYDOQXKNR-WSTZPKSXSA-N 2 1 330.516 3.834 20 0 EHADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000429527625 1136751307 /nfs/dbraw/zinc/75/13/07/1136751307.db2.gz MXBGNVYDOQXKNR-WSTZPKSXSA-N 2 1 330.516 3.834 20 0 EHADMP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000817896987 1136843808 /nfs/dbraw/zinc/84/38/08/1136843808.db2.gz AWJHFQMJXCDSSC-QHAWAJNXSA-N 3 1 333.564 3.541 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000818959789 1136895571 /nfs/dbraw/zinc/89/55/71/1136895571.db2.gz SZXCBPQBRJBWFV-XMSQKQJNSA-N 2 1 338.495 3.742 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857846281 1136912056 /nfs/dbraw/zinc/91/20/56/1136912056.db2.gz BFPKXLBMTIWNHM-UZLBHIALSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857846281 1136912060 /nfs/dbraw/zinc/91/20/60/1136912060.db2.gz BFPKXLBMTIWNHM-UZLBHIALSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857846281 1136912064 /nfs/dbraw/zinc/91/20/64/1136912064.db2.gz BFPKXLBMTIWNHM-UZLBHIALSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857846281 1136912067 /nfs/dbraw/zinc/91/20/67/1136912067.db2.gz BFPKXLBMTIWNHM-UZLBHIALSA-N 2 1 338.499 3.809 20 0 EHADMP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)ccn1 ZINC000858152375 1136944290 /nfs/dbraw/zinc/94/42/90/1136944290.db2.gz OCMSMBLKODLNPR-UHFFFAOYSA-N 2 1 338.499 3.780 20 0 EHADMP C[N@H+]1CC[C@H](N[C@H]2CCCc3cn(C4CCCC4)nc32)CC1(C)C ZINC000858157676 1136944883 /nfs/dbraw/zinc/94/48/83/1136944883.db2.gz LASDRKOFRLFYJW-WMZOPIPTSA-N 2 1 330.520 3.838 20 0 EHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000858195566 1136948645 /nfs/dbraw/zinc/94/86/45/1136948645.db2.gz WQOSYRRWOGHXSM-BZSNNMDCSA-N 2 1 338.923 3.860 20 0 EHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850410 1137116323 /nfs/dbraw/zinc/11/63/23/1137116323.db2.gz BTDRAZDFAPGFIP-QFBILLFUSA-N 2 1 342.483 3.597 20 0 EHADMP Cc1c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccnc1F ZINC000862238809 1137134304 /nfs/dbraw/zinc/13/43/04/1137134304.db2.gz KZEYQLKQGMPJNX-UHFFFAOYSA-N 2 1 341.474 3.873 20 0 EHADMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccnc1F ZINC000862275760 1137136763 /nfs/dbraw/zinc/13/67/63/1137136763.db2.gz ZDBSVDKWBDNDQK-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccnc1F ZINC000862275760 1137136764 /nfs/dbraw/zinc/13/67/64/1137136764.db2.gz ZDBSVDKWBDNDQK-SFHVURJKSA-N 2 1 327.447 3.531 20 0 EHADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171063093 1137149792 /nfs/dbraw/zinc/14/97/92/1137149792.db2.gz LNSDPAVVLGSODZ-CABCVRRESA-N 2 1 327.299 3.925 20 0 EHADMP Cc1ccc2c(C[NH+]3CCC([N@H+](C)C4CCOCC4)CC3)c[nH]c2c1 ZINC001136975086 1137159490 /nfs/dbraw/zinc/15/94/90/1137159490.db2.gz ZNGRPXDYOAGLAN-UHFFFAOYSA-N 2 1 341.499 3.552 20 0 EHADMP Cc1ccc2c(C[NH+]3CCC([N@@H+](C)C4CCOCC4)CC3)c[nH]c2c1 ZINC001136975086 1137159491 /nfs/dbraw/zinc/15/94/91/1137159491.db2.gz ZNGRPXDYOAGLAN-UHFFFAOYSA-N 2 1 341.499 3.552 20 0 EHADMP CCOc1c(F)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC001143741008 1137195029 /nfs/dbraw/zinc/19/50/29/1137195029.db2.gz INSMSTVBSNLOLE-UHFFFAOYSA-N 2 1 328.859 3.651 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cccnc2F)ccc1OC ZINC000794832717 1137274552 /nfs/dbraw/zinc/27/45/52/1137274552.db2.gz DCRQJCROMAWEPH-HNNXBMFYSA-N 2 1 345.462 3.922 20 0 EHADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(N)c(C(F)(F)F)c[nH+]3)c2c1 ZINC001171167374 1137278177 /nfs/dbraw/zinc/27/81/77/1137278177.db2.gz YLJMQVLJUHRTOM-NSHDSACASA-N 2 1 348.372 3.825 20 0 EHADMP CC(C)[C@@](C)(Cc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000865708918 1137305656 /nfs/dbraw/zinc/30/56/56/1137305656.db2.gz GFZLBBSJDGOKKJ-LJQANCHMSA-N 2 1 331.529 3.952 20 0 EHADMP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000865717971 1137306427 /nfs/dbraw/zinc/30/64/27/1137306427.db2.gz QJRUDUNXFHNLDI-YADHBBJMSA-N 3 1 341.543 3.505 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000866251677 1137339435 /nfs/dbraw/zinc/33/94/35/1137339435.db2.gz YWQORAFROBXKCG-IEBWSBKVSA-N 2 1 343.540 3.966 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000866251677 1137339437 /nfs/dbraw/zinc/33/94/37/1137339437.db2.gz YWQORAFROBXKCG-IEBWSBKVSA-N 2 1 343.540 3.966 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1cccc(F)c1)c1ccccc1F ZINC000866341308 1137347401 /nfs/dbraw/zinc/34/74/01/1137347401.db2.gz MSOLBZDZLFBWIE-HXUWFJFHSA-N 2 1 341.405 3.814 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+]C3([C@@H]4CCCCO4)CCC3)CC2)cc1 ZINC000866621748 1137370508 /nfs/dbraw/zinc/37/05/08/1137370508.db2.gz JRKJZFARAKXYQW-FQEVSTJZSA-N 2 1 328.500 3.732 20 0 EHADMP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702318 1137374645 /nfs/dbraw/zinc/37/46/45/1137374645.db2.gz ALJSSZGYHIJZIF-QRWLVFNGSA-N 2 1 342.487 3.803 20 0 EHADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702318 1137374647 /nfs/dbraw/zinc/37/46/47/1137374647.db2.gz ALJSSZGYHIJZIF-QRWLVFNGSA-N 2 1 342.487 3.803 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171356536 1137457111 /nfs/dbraw/zinc/45/71/11/1137457111.db2.gz BBTVVJNMSIVACQ-SZMVWBNQSA-N 2 1 334.454 3.947 20 0 EHADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390802837 1137457381 /nfs/dbraw/zinc/45/73/81/1137457381.db2.gz RYCFFSZMOLFEMZ-UKRRQHHQSA-N 2 1 332.435 3.740 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000773107376 1137466069 /nfs/dbraw/zinc/46/60/69/1137466069.db2.gz YSRNDDCHSGFKLX-ZFMNYDKASA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000712394430 1137467889 /nfs/dbraw/zinc/46/78/89/1137467889.db2.gz AACMJHNNZDQJNI-MISYRCLQSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000712394430 1137467890 /nfs/dbraw/zinc/46/78/90/1137467890.db2.gz AACMJHNNZDQJNI-MISYRCLQSA-N 2 1 328.500 3.731 20 0 EHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171412032 1137476041 /nfs/dbraw/zinc/47/60/41/1137476041.db2.gz REWVPMRPIGILMO-QFBILLFUSA-N 2 1 326.459 3.780 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000715237210 1137476327 /nfs/dbraw/zinc/47/63/27/1137476327.db2.gz VAVWEUNRRTUVBW-UREXAPBRSA-N 3 1 343.559 3.750 20 0 EHADMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000715237210 1137476329 /nfs/dbraw/zinc/47/63/29/1137476329.db2.gz VAVWEUNRRTUVBW-UREXAPBRSA-N 2 1 343.559 3.750 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cn2ncc(Cl)c2C)CC1)CC(C)C ZINC000773269533 1137483051 /nfs/dbraw/zinc/48/30/51/1137483051.db2.gz DBEHNDQOOWADNY-UHFFFAOYSA-N 2 1 340.943 3.882 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cn2ncc(Cl)c2C)CC1)CC(C)C ZINC000773269533 1137483052 /nfs/dbraw/zinc/48/30/52/1137483052.db2.gz DBEHNDQOOWADNY-UHFFFAOYSA-N 2 1 340.943 3.882 20 0 EHADMP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001171558990 1137497820 /nfs/dbraw/zinc/49/78/20/1137497820.db2.gz SEIULTSUBGEANK-SFHVURJKSA-N 2 1 338.470 3.941 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636029 1137504056 /nfs/dbraw/zinc/50/40/56/1137504056.db2.gz CYNFABIKZYEYFB-GOSISDBHSA-N 2 1 334.479 3.930 20 0 EHADMP CC(=O)N1CCCC[C@]12CCC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637917 1137504726 /nfs/dbraw/zinc/50/47/26/1137504726.db2.gz SJOGHTRNDISPGM-OAQYLSRUSA-N 2 1 349.563 3.505 20 0 EHADMP C[C@@H]1C[C@@H](n2c(CC[NH3+])cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733087 1137507206 /nfs/dbraw/zinc/50/72/06/1137507206.db2.gz IFDQUWZLGSQPQA-DYESRHJHSA-N 2 1 333.479 3.978 20 0 EHADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c21 ZINC001171759091 1137508917 /nfs/dbraw/zinc/50/89/17/1137508917.db2.gz GPMDWXPWEAXYNG-POAQFYNOSA-N 2 1 338.499 3.561 20 0 EHADMP C[C@@H]1C[C@H](N2CCC([NH3+])(CC3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171740703 1137511307 /nfs/dbraw/zinc/51/13/07/1137511307.db2.gz TXPLPVHWHVCCRB-NQIIRXRSSA-N 2 1 341.543 3.633 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001171959244 1137519276 /nfs/dbraw/zinc/51/92/76/1137519276.db2.gz SYRRXHMMGZJSBE-SJWGOKEGSA-N 2 1 326.406 3.851 20 0 EHADMP CC1(C)C[C@@H](NCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171966984 1137520946 /nfs/dbraw/zinc/52/09/46/1137520946.db2.gz WYLKPVDINKKOLY-FQEVSTJZSA-N 2 1 329.532 3.505 20 0 EHADMP CCOC(=O)C1(C)CCC([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001171943980 1137521890 /nfs/dbraw/zinc/52/18/90/1137521890.db2.gz ILDKQZLXEUYNEV-OCDPCBSRSA-N 2 1 346.515 3.595 20 0 EHADMP CC(C)[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171990754 1137522721 /nfs/dbraw/zinc/52/27/21/1137522721.db2.gz OEIJJRBDFCTEGO-FPOVZHCZSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171990754 1137522723 /nfs/dbraw/zinc/52/27/23/1137522723.db2.gz OEIJJRBDFCTEGO-FPOVZHCZSA-N 2 1 343.559 3.844 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171990754 1137522724 /nfs/dbraw/zinc/52/27/24/1137522724.db2.gz OEIJJRBDFCTEGO-FPOVZHCZSA-N 2 1 343.559 3.844 20 0 EHADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975510 1137524895 /nfs/dbraw/zinc/52/48/95/1137524895.db2.gz DPVBYUGADSEVSM-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975510 1137524896 /nfs/dbraw/zinc/52/48/96/1137524896.db2.gz DPVBYUGADSEVSM-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975510 1137524897 /nfs/dbraw/zinc/52/48/97/1137524897.db2.gz DPVBYUGADSEVSM-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@H]1O ZINC001171975510 1137524898 /nfs/dbraw/zinc/52/48/98/1137524898.db2.gz DPVBYUGADSEVSM-YZGWKJHDSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC001171975813 1137525233 /nfs/dbraw/zinc/52/52/33/1137525233.db2.gz GEGAQZULXQEKTE-HXUWFJFHSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC001171975813 1137525235 /nfs/dbraw/zinc/52/52/35/1137525235.db2.gz GEGAQZULXQEKTE-HXUWFJFHSA-N 2 1 348.494 3.867 20 0 EHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976046 1137525455 /nfs/dbraw/zinc/52/54/55/1137525455.db2.gz OXMAQZUAVIMIFG-VAMGGRTRSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(C)C[C@H]([NH+]2CCC[C@](C)(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977605 1137526277 /nfs/dbraw/zinc/52/62/77/1137526277.db2.gz RXOQODWXSQOBGB-IRLDBZIGSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977605 1137526278 /nfs/dbraw/zinc/52/62/78/1137526278.db2.gz RXOQODWXSQOBGB-IRLDBZIGSA-N 2 1 344.543 3.914 20 0 EHADMP CC1(C)C[C@H]([N@H+]2CCC[C@](C)(CO)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977605 1137526279 /nfs/dbraw/zinc/52/62/79/1137526279.db2.gz RXOQODWXSQOBGB-IRLDBZIGSA-N 2 1 344.543 3.914 20 0 EHADMP CCO[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985569 1137527379 /nfs/dbraw/zinc/52/73/79/1137527379.db2.gz YBUSZAFXVPLIHH-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985569 1137527380 /nfs/dbraw/zinc/52/73/80/1137527380.db2.gz YBUSZAFXVPLIHH-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CCO[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985569 1137527381 /nfs/dbraw/zinc/52/73/81/1137527381.db2.gz YBUSZAFXVPLIHH-WOJBJXKFSA-N 2 1 330.516 3.931 20 0 EHADMP CC1(C)C[C@H](N2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987830 1137527809 /nfs/dbraw/zinc/52/78/09/1137527809.db2.gz KHBHMIJQSJBVCL-HXUWFJFHSA-N 2 1 341.543 3.600 20 0 EHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]3(CCO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987721 1137528221 /nfs/dbraw/zinc/52/82/21/1137528221.db2.gz IFHBDAFUGYBVJO-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987721 1137528223 /nfs/dbraw/zinc/52/82/23/1137528223.db2.gz IFHBDAFUGYBVJO-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987721 1137528224 /nfs/dbraw/zinc/52/82/24/1137528224.db2.gz IFHBDAFUGYBVJO-PZJWPPBQSA-N 2 1 328.500 3.685 20 0 EHADMP NC(=[NH2+])N(c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072371 1137529690 /nfs/dbraw/zinc/52/96/90/1137529690.db2.gz LOSNMXMWOGEJMB-WKCHPHFGSA-N 2 1 348.494 3.972 20 0 EHADMP O[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076414 1137530724 /nfs/dbraw/zinc/53/07/24/1137530724.db2.gz JBUSEOGNVKWVKI-BIRZXAFVSA-N 2 1 342.527 3.713 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2ccncc2)C3)cc1 ZINC001172064384 1137532828 /nfs/dbraw/zinc/53/28/28/1137532828.db2.gz FOAOTNVMOXHPKX-KOUNCHBCSA-N 2 1 335.495 3.799 20 0 EHADMP CC(C)N(CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061737 1137532896 /nfs/dbraw/zinc/53/28/96/1137532896.db2.gz JIUHUNBOENTKHL-WKCHPHFGSA-N 2 1 329.532 3.631 20 0 EHADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061737 1137532898 /nfs/dbraw/zinc/53/28/98/1137532898.db2.gz JIUHUNBOENTKHL-WKCHPHFGSA-N 2 1 329.532 3.631 20 0 EHADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061737 1137532900 /nfs/dbraw/zinc/53/29/00/1137532900.db2.gz JIUHUNBOENTKHL-WKCHPHFGSA-N 2 1 329.532 3.631 20 0 EHADMP CC(C)OCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063286 1137532926 /nfs/dbraw/zinc/53/29/26/1137532926.db2.gz BQJICCXDVXKCAF-WKCHPHFGSA-N 2 1 330.516 3.977 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCCO2)C3)cc1 ZINC001172062986 1137533268 /nfs/dbraw/zinc/53/32/68/1137533268.db2.gz VCZVRPIHZXETME-BURNTYAHSA-N 2 1 328.500 3.731 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067040 1137533444 /nfs/dbraw/zinc/53/34/44/1137533444.db2.gz AAZXKPIRGGXNCZ-WKCHPHFGSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067040 1137533446 /nfs/dbraw/zinc/53/34/46/1137533446.db2.gz AAZXKPIRGGXNCZ-WKCHPHFGSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067040 1137533447 /nfs/dbraw/zinc/53/34/47/1137533447.db2.gz AAZXKPIRGGXNCZ-WKCHPHFGSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067040 1137533449 /nfs/dbraw/zinc/53/34/49/1137533449.db2.gz AAZXKPIRGGXNCZ-WKCHPHFGSA-N 2 1 340.511 3.685 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172130090 1137535795 /nfs/dbraw/zinc/53/57/95/1137535795.db2.gz HKLMUZIDYLBSLC-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130090 1137535797 /nfs/dbraw/zinc/53/57/97/1137535797.db2.gz HKLMUZIDYLBSLC-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172130090 1137535799 /nfs/dbraw/zinc/53/57/99/1137535799.db2.gz HKLMUZIDYLBSLC-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172130090 1137535801 /nfs/dbraw/zinc/53/58/01/1137535801.db2.gz HKLMUZIDYLBSLC-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172130090 1137535803 /nfs/dbraw/zinc/53/58/03/1137535803.db2.gz HKLMUZIDYLBSLC-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COc1ccccc1S[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129825 1137535808 /nfs/dbraw/zinc/53/58/08/1137535808.db2.gz LEYXCHVNEMGTDU-VSZNYVQBSA-N 2 1 346.540 3.877 20 0 EHADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129825 1137535810 /nfs/dbraw/zinc/53/58/10/1137535810.db2.gz LEYXCHVNEMGTDU-VSZNYVQBSA-N 2 1 346.540 3.877 20 0 EHADMP COc1ccccc1S[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129825 1137535812 /nfs/dbraw/zinc/53/58/12/1137535812.db2.gz LEYXCHVNEMGTDU-VSZNYVQBSA-N 2 1 346.540 3.877 20 0 EHADMP COc1ccccc1S[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129825 1137535813 /nfs/dbraw/zinc/53/58/13/1137535813.db2.gz LEYXCHVNEMGTDU-VSZNYVQBSA-N 2 1 346.540 3.877 20 0 EHADMP C[N@H+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122500 1137538938 /nfs/dbraw/zinc/53/89/38/1137538938.db2.gz RCVVSYFCWGVCPY-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP C[N@@H+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122500 1137538939 /nfs/dbraw/zinc/53/89/39/1137538939.db2.gz RCVVSYFCWGVCPY-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122500 1137538940 /nfs/dbraw/zinc/53/89/40/1137538940.db2.gz RCVVSYFCWGVCPY-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP C[NH+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122500 1137538941 /nfs/dbraw/zinc/53/89/41/1137538941.db2.gz RCVVSYFCWGVCPY-FVQHAEBGSA-N 2 1 337.305 3.896 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172123234 1137539061 /nfs/dbraw/zinc/53/90/61/1137539061.db2.gz YSGOKRMAPCZDKH-YDZRNGNQSA-N 2 1 344.499 3.856 20 0 EHADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172123234 1137539063 /nfs/dbraw/zinc/53/90/63/1137539063.db2.gz YSGOKRMAPCZDKH-YDZRNGNQSA-N 2 1 344.499 3.856 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172229443 1137542616 /nfs/dbraw/zinc/54/26/16/1137542616.db2.gz MDBRUTIMWGUNCV-UWFUTDFQSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172229443 1137542618 /nfs/dbraw/zinc/54/26/18/1137542618.db2.gz MDBRUTIMWGUNCV-UWFUTDFQSA-N 2 1 340.511 3.540 20 0 EHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172229443 1137542620 /nfs/dbraw/zinc/54/26/20/1137542620.db2.gz MDBRUTIMWGUNCV-UWFUTDFQSA-N 2 1 340.511 3.540 20 0 EHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172198221 1137543362 /nfs/dbraw/zinc/54/33/62/1137543362.db2.gz OGPSFHJGZIOJHG-MRXNPFEDSA-N 2 1 342.483 3.793 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172326512 1137547576 /nfs/dbraw/zinc/54/75/76/1137547576.db2.gz BLKMSPGCDAIFRJ-MOPGFXCFSA-N 2 1 332.532 3.877 20 0 EHADMP CCOCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001172421339 1137556515 /nfs/dbraw/zinc/55/65/15/1137556515.db2.gz SFWLLAASBZCSJX-INIZCTEOSA-N 2 1 349.519 3.537 20 0 EHADMP CC[C@@H](OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000871784808 1137558036 /nfs/dbraw/zinc/55/80/36/1137558036.db2.gz MHMKFVFXSRTOHV-XVLXNVKGSA-N 2 1 345.487 3.526 20 0 EHADMP CC[C@@H](OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000871784808 1137558037 /nfs/dbraw/zinc/55/80/37/1137558037.db2.gz MHMKFVFXSRTOHV-XVLXNVKGSA-N 2 1 345.487 3.526 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872032478 1137566488 /nfs/dbraw/zinc/56/64/88/1137566488.db2.gz UXCGYBSHKQTXPR-OXQOHEQNSA-N 2 1 347.478 3.593 20 0 EHADMP c1ccc2c(c1)CCCC[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000872033827 1137566615 /nfs/dbraw/zinc/56/66/15/1137566615.db2.gz GMVCNUJENHYEMN-VXKWHMMOSA-N 2 1 342.527 3.557 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCOC1 ZINC000872040539 1137567110 /nfs/dbraw/zinc/56/71/10/1137567110.db2.gz MDERPVNFOHGLKI-ZIBCJSCZSA-N 2 1 330.516 3.692 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCOC1 ZINC000872040539 1137567111 /nfs/dbraw/zinc/56/71/11/1137567111.db2.gz MDERPVNFOHGLKI-ZIBCJSCZSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151345 1137574046 /nfs/dbraw/zinc/57/40/46/1137574046.db2.gz VHVQXUGSANXNKR-SUZMYJTESA-N 2 1 340.311 3.835 20 0 EHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151345 1137574047 /nfs/dbraw/zinc/57/40/47/1137574047.db2.gz VHVQXUGSANXNKR-SUZMYJTESA-N 2 1 340.311 3.835 20 0 EHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCC2SCCS2)C1)C1CCCC1 ZINC000872157538 1137574248 /nfs/dbraw/zinc/57/42/48/1137574248.db2.gz PKLJNIGBLHBEEA-ZBFHGGJFSA-N 2 1 328.591 3.802 20 0 EHADMP CCCCc1noc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158666 1137574400 /nfs/dbraw/zinc/57/44/00/1137574400.db2.gz WVOTZQJSTGMNOX-NVXWUHKLSA-N 2 1 334.508 3.532 20 0 EHADMP CCCCc1noc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158666 1137574401 /nfs/dbraw/zinc/57/44/01/1137574401.db2.gz WVOTZQJSTGMNOX-NVXWUHKLSA-N 2 1 334.508 3.532 20 0 EHADMP CCCCc1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158668 1137574575 /nfs/dbraw/zinc/57/45/75/1137574575.db2.gz WVOTZQJSTGMNOX-WBVHZDCISA-N 2 1 334.508 3.532 20 0 EHADMP CCCCc1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158668 1137574576 /nfs/dbraw/zinc/57/45/76/1137574576.db2.gz WVOTZQJSTGMNOX-WBVHZDCISA-N 2 1 334.508 3.532 20 0 EHADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1Br ZINC001137615921 1137588398 /nfs/dbraw/zinc/58/83/98/1137588398.db2.gz YXTBDTVTCVBDFQ-UHFFFAOYSA-N 2 1 325.294 3.675 20 0 EHADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1Br ZINC001137615921 1137588399 /nfs/dbraw/zinc/58/83/99/1137588399.db2.gz YXTBDTVTCVBDFQ-UHFFFAOYSA-N 2 1 325.294 3.675 20 0 EHADMP Cc1ccc(C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC2CC2)cn1 ZINC000873213740 1137594136 /nfs/dbraw/zinc/59/41/36/1137594136.db2.gz OPQVOMGKJRXRNO-UHFFFAOYSA-N 2 1 327.497 3.509 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076827 1137669666 /nfs/dbraw/zinc/66/96/66/1137669666.db2.gz VUNADVSOBDTATK-VNQPRFMTSA-N 2 1 327.299 3.823 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000877189203 1137672493 /nfs/dbraw/zinc/67/24/93/1137672493.db2.gz LJGFNMJMBBYTFP-DSFVOBFGSA-N 2 1 344.480 3.952 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2ccc(Cl)nn2)CC1)CC(C)C ZINC000877528480 1137679863 /nfs/dbraw/zinc/67/98/63/1137679863.db2.gz BFLRHHYHSQNPSM-UHFFFAOYSA-N 2 1 338.927 3.710 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(Cl)nn2)CC1)CC(C)C ZINC000877528480 1137679864 /nfs/dbraw/zinc/67/98/64/1137679864.db2.gz BFLRHHYHSQNPSM-UHFFFAOYSA-N 2 1 338.927 3.710 20 0 EHADMP Clc1nccc2oc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc21 ZINC000877644184 1137684091 /nfs/dbraw/zinc/68/40/91/1137684091.db2.gz SBZKNYRIZAKIED-AWEZNQCLSA-N 2 1 333.863 3.693 20 0 EHADMP Clc1nccc2oc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc21 ZINC000877644184 1137684092 /nfs/dbraw/zinc/68/40/92/1137684092.db2.gz SBZKNYRIZAKIED-AWEZNQCLSA-N 2 1 333.863 3.693 20 0 EHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743041 1137687540 /nfs/dbraw/zinc/68/75/40/1137687540.db2.gz SYRXOWGUXTUWSR-UKPHBRMFSA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743041 1137687541 /nfs/dbraw/zinc/68/75/41/1137687541.db2.gz SYRXOWGUXTUWSR-UKPHBRMFSA-N 2 1 326.406 3.835 20 0 EHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743041 1137687542 /nfs/dbraw/zinc/68/75/42/1137687542.db2.gz SYRXOWGUXTUWSR-UKPHBRMFSA-N 2 1 326.406 3.835 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196973 1137706650 /nfs/dbraw/zinc/70/66/50/1137706650.db2.gz KIOQHUXRFLUWTL-PLACYPQZSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196973 1137706651 /nfs/dbraw/zinc/70/66/51/1137706651.db2.gz KIOQHUXRFLUWTL-PLACYPQZSA-N 2 1 328.500 3.713 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196973 1137706652 /nfs/dbraw/zinc/70/66/52/1137706652.db2.gz KIOQHUXRFLUWTL-PLACYPQZSA-N 2 1 328.500 3.713 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878401361 1137714361 /nfs/dbraw/zinc/71/43/61/1137714361.db2.gz SUISKVHWAWQGRB-UHFFFAOYSA-N 2 1 333.520 3.887 20 0 EHADMP CC(C)C[N@H+](Cc1noc(-c2ccsc2)n1)CC1CC[NH+](C)CC1 ZINC000879702739 1137755785 /nfs/dbraw/zinc/75/57/85/1137755785.db2.gz XBIJMEDTYWGBBF-UHFFFAOYSA-N 2 1 348.516 3.598 20 0 EHADMP COc1cncc(/C=C\CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000879950740 1137763059 /nfs/dbraw/zinc/76/30/59/1137763059.db2.gz AYUKGWHJYMNJQF-YWEYNIOJSA-N 2 1 343.515 3.834 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000883378941 1137858178 /nfs/dbraw/zinc/85/81/78/1137858178.db2.gz GKEWVEVYIBKAHT-YLJYHZDGSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000883378941 1137858179 /nfs/dbraw/zinc/85/81/79/1137858179.db2.gz GKEWVEVYIBKAHT-YLJYHZDGSA-N 2 1 328.500 3.588 20 0 EHADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCC[C@@H](c3ccccc3)O1)CC[NH2+]CC2 ZINC000883434425 1137860522 /nfs/dbraw/zinc/86/05/22/1137860522.db2.gz QXTOOFYMLRNNHP-RLLQIKCJSA-N 2 1 328.500 3.761 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137189835 1137862420 /nfs/dbraw/zinc/86/24/20/1137862420.db2.gz KEDHSGSNVYHANW-UHFFFAOYSA-N 2 1 327.472 3.637 20 0 EHADMP COc1ccsc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282835923 1137870370 /nfs/dbraw/zinc/87/03/70/1137870370.db2.gz VEXORTNTLRRBRF-AWEZNQCLSA-N 2 1 331.485 3.669 20 0 EHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264616 1137886845 /nfs/dbraw/zinc/88/68/45/1137886845.db2.gz NWABJZKVVRBWJK-HOCLYGCPSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264616 1137886846 /nfs/dbraw/zinc/88/68/46/1137886846.db2.gz NWABJZKVVRBWJK-HOCLYGCPSA-N 2 1 331.435 3.631 20 0 EHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264616 1137886847 /nfs/dbraw/zinc/88/68/47/1137886847.db2.gz NWABJZKVVRBWJK-HOCLYGCPSA-N 2 1 331.435 3.631 20 0 EHADMP Cc1cnc(=S)n(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000133753048 1137909586 /nfs/dbraw/zinc/90/95/86/1137909586.db2.gz WTXLZVDMPPEUPC-KRWDZBQOSA-N 2 1 348.560 3.855 20 0 EHADMP Cc1cnc(=S)n(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000133753048 1137909587 /nfs/dbraw/zinc/90/95/87/1137909587.db2.gz WTXLZVDMPPEUPC-KRWDZBQOSA-N 2 1 348.560 3.855 20 0 EHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331697553 1137917570 /nfs/dbraw/zinc/91/75/70/1137917570.db2.gz DEVKZHRTDXTNHZ-JFIYKMOQSA-N 2 1 329.488 3.770 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)CC[N@H+]1C ZINC000120216809 1137947462 /nfs/dbraw/zinc/94/74/62/1137947462.db2.gz UXTVNHZCRRIUNW-CZUORRHYSA-N 2 1 337.305 3.553 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886542943 1138094068 /nfs/dbraw/zinc/09/40/68/1138094068.db2.gz IHFFVGMBESPXTJ-WIYBCGNWSA-N 2 1 342.527 3.833 20 0 EHADMP Cc1ncc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000886553291 1138094925 /nfs/dbraw/zinc/09/49/25/1138094925.db2.gz IXPKNWDXZIAKHA-OTWHNJEPSA-N 2 1 341.524 3.637 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c2ccccc21 ZINC000886638357 1138104320 /nfs/dbraw/zinc/10/43/20/1138104320.db2.gz RZBGIJBAKWHFFK-YCADQPJXSA-N 2 1 348.490 3.808 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)[nH+]c1C ZINC000886662530 1138110709 /nfs/dbraw/zinc/11/07/09/1138110709.db2.gz GFQRYALPYQGHFR-UHFFFAOYSA-N 2 1 335.492 3.718 20 0 EHADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000886719801 1138125144 /nfs/dbraw/zinc/12/51/44/1138125144.db2.gz IAOZSXVFOUPHJS-VQTJNVASSA-N 2 1 328.500 3.857 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@@H+]1C ZINC000089908029 1138207461 /nfs/dbraw/zinc/20/74/61/1138207461.db2.gz JEDBQAKZKDKTFE-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000089908029 1138207462 /nfs/dbraw/zinc/20/74/62/1138207462.db2.gz JEDBQAKZKDKTFE-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908029 1138207463 /nfs/dbraw/zinc/20/74/63/1138207463.db2.gz JEDBQAKZKDKTFE-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[NH+]1C ZINC000089908029 1138207464 /nfs/dbraw/zinc/20/74/64/1138207464.db2.gz JEDBQAKZKDKTFE-CRAIPNDOSA-N 2 1 347.503 3.948 20 0 EHADMP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000090459358 1138210904 /nfs/dbraw/zinc/21/09/04/1138210904.db2.gz CMYADFSDKBDREG-AWEZNQCLSA-N 2 1 345.512 3.812 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092165599 1138225484 /nfs/dbraw/zinc/22/54/84/1138225484.db2.gz KXQVKRIQBXDJRN-UHFFFAOYSA-N 2 1 330.451 3.522 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092165599 1138225485 /nfs/dbraw/zinc/22/54/85/1138225485.db2.gz KXQVKRIQBXDJRN-UHFFFAOYSA-N 2 1 330.451 3.522 20 0 EHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(Cl)n1 ZINC000092821591 1138231942 /nfs/dbraw/zinc/23/19/42/1138231942.db2.gz FZYCCHPZBDDZQK-UHFFFAOYSA-N 2 1 344.890 3.869 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000122118599 1138254636 /nfs/dbraw/zinc/25/46/36/1138254636.db2.gz ZVUBYNRVFKBRNM-FGSXEWAUSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000122118599 1138254638 /nfs/dbraw/zinc/25/46/38/1138254638.db2.gz ZVUBYNRVFKBRNM-FGSXEWAUSA-N 2 1 338.495 3.740 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000122961630 1138264983 /nfs/dbraw/zinc/26/49/83/1138264983.db2.gz FVGQGZBXXOLAAE-LJQANCHMSA-N 2 1 326.488 3.501 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000122961630 1138264985 /nfs/dbraw/zinc/26/49/85/1138264985.db2.gz FVGQGZBXXOLAAE-LJQANCHMSA-N 2 1 326.488 3.501 20 0 EHADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000126647417 1138334628 /nfs/dbraw/zinc/33/46/28/1138334628.db2.gz QNTITSKLVFEULU-QGZVFWFLSA-N 2 1 343.540 3.655 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838885 1138605971 /nfs/dbraw/zinc/60/59/71/1138605971.db2.gz DBJFYCBOSOEZAB-CHWSQXEVSA-N 2 1 328.909 3.553 20 0 EHADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368926 1138863262 /nfs/dbraw/zinc/86/32/62/1138863262.db2.gz OHYBVILZJGOXBE-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368926 1138863265 /nfs/dbraw/zinc/86/32/65/1138863265.db2.gz OHYBVILZJGOXBE-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368926 1138863275 /nfs/dbraw/zinc/86/32/75/1138863275.db2.gz OHYBVILZJGOXBE-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368926 1138863283 /nfs/dbraw/zinc/86/32/83/1138863283.db2.gz OHYBVILZJGOXBE-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338368926 1138863292 /nfs/dbraw/zinc/86/32/92/1138863292.db2.gz OHYBVILZJGOXBE-AEFFLSMTSA-N 2 1 337.458 3.661 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000178695425 1139711713 /nfs/dbraw/zinc/71/17/13/1139711713.db2.gz UJYLXPNMLUQISY-AWEZNQCLSA-N 2 1 328.435 3.552 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000178696098 1139713001 /nfs/dbraw/zinc/71/30/01/1139713001.db2.gz KCPXBABUSVWXSP-ZDUSSCGKSA-N 2 1 346.425 3.691 20 0 EHADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1SC ZINC000178704239 1139713147 /nfs/dbraw/zinc/71/31/47/1139713147.db2.gz JZOHKEQJHWHGMH-KGLIPLIRSA-N 2 1 333.501 3.909 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000178706830 1139713336 /nfs/dbraw/zinc/71/33/36/1139713336.db2.gz UYDOOLKXFJFZIV-RYUDHWBXSA-N 2 1 341.377 3.919 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)cn1 ZINC000180177285 1139816484 /nfs/dbraw/zinc/81/64/84/1139816484.db2.gz IJZPAMDJYLOSGR-YCRPNKLZSA-N 2 1 332.451 3.907 20 0 EHADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)Cn3cc[nH+]c3C)oc21 ZINC000181693799 1139925209 /nfs/dbraw/zinc/92/52/09/1139925209.db2.gz NLCYDJVJMYCYOD-UONOGXRCSA-N 2 1 327.428 3.933 20 0 EHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000182270070 1139962320 /nfs/dbraw/zinc/96/23/20/1139962320.db2.gz UKDWCLKRPFYRTH-RXVVDRJESA-N 2 1 342.458 3.633 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183653466 1140051768 /nfs/dbraw/zinc/05/17/68/1140051768.db2.gz FYKAWZGJDBPXEH-FQEVSTJZSA-N 2 1 338.430 3.885 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000185354055 1140146381 /nfs/dbraw/zinc/14/63/81/1140146381.db2.gz URTRNBROLPUQDM-CRAIPNDOSA-N 2 1 340.458 3.851 20 0 EHADMP CCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192670145 1140543063 /nfs/dbraw/zinc/54/30/63/1140543063.db2.gz BSLJWAUIMSGHFX-AYHJJNSGSA-N 2 1 332.488 3.589 20 0 EHADMP CCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192670145 1140543070 /nfs/dbraw/zinc/54/30/70/1140543070.db2.gz BSLJWAUIMSGHFX-AYHJJNSGSA-N 2 1 332.488 3.589 20 0 EHADMP Brc1ccsc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266890174 1140734676 /nfs/dbraw/zinc/73/46/76/1140734676.db2.gz CPVGFNCEQOSQLT-JTQLQIEISA-N 2 1 326.263 3.613 20 0 EHADMP Brc1ccsc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000266890174 1140734679 /nfs/dbraw/zinc/73/46/79/1140734679.db2.gz CPVGFNCEQOSQLT-JTQLQIEISA-N 2 1 326.263 3.613 20 0 EHADMP Brc1csc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266931762 1140740614 /nfs/dbraw/zinc/74/06/14/1140740614.db2.gz OUSXDORKAUYYSH-SNVBAGLBSA-N 2 1 326.263 3.613 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268743084 1140981010 /nfs/dbraw/zinc/98/10/10/1140981010.db2.gz SZMXRZYRRFDAGZ-NQIIRXRSSA-N 2 1 340.515 3.533 20 0 EHADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268743084 1140981014 /nfs/dbraw/zinc/98/10/14/1140981014.db2.gz SZMXRZYRRFDAGZ-NQIIRXRSSA-N 2 1 340.515 3.533 20 0 EHADMP C[C@@H](O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000268847820 1141007428 /nfs/dbraw/zinc/00/74/28/1141007428.db2.gz PCIZZRMZIGIZSG-GOSISDBHSA-N 2 1 338.495 3.537 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000268889152 1141018940 /nfs/dbraw/zinc/01/89/40/1141018940.db2.gz NLEAXBPHINPPMX-IIBYNOLFSA-N 2 1 335.451 3.739 20 0 EHADMP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cs1 ZINC000269441994 1141108876 /nfs/dbraw/zinc/10/88/76/1141108876.db2.gz SUVCMOLFZNCEFW-CYBMUJFWSA-N 2 1 348.516 3.619 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000270551062 1141238600 /nfs/dbraw/zinc/23/86/00/1141238600.db2.gz ZVUBYNRVFKBRNM-NPPFBWRTSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000270551062 1141238605 /nfs/dbraw/zinc/23/86/05/1141238605.db2.gz ZVUBYNRVFKBRNM-NPPFBWRTSA-N 2 1 338.495 3.740 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271505407 1141383023 /nfs/dbraw/zinc/38/30/23/1141383023.db2.gz MRBSURVDNMRONG-GUXCAODWSA-N 2 1 341.499 3.895 20 0 EHADMP CSCc1cnc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000339181460 1141520320 /nfs/dbraw/zinc/52/03/20/1141520320.db2.gz ASDZROJAXLTLSQ-GASCZTMLSA-N 2 1 341.590 3.854 20 0 EHADMP Cc1nnc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000283114128 1141555477 /nfs/dbraw/zinc/55/54/77/1141555477.db2.gz MNEQWCZANVVMEX-CQSZACIVSA-N 2 1 345.516 3.541 20 0 EHADMP Cc1nnc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000283114128 1141555479 /nfs/dbraw/zinc/55/54/79/1141555479.db2.gz MNEQWCZANVVMEX-CQSZACIVSA-N 2 1 345.516 3.541 20 0 EHADMP CCc1ncc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000348636527 1141558760 /nfs/dbraw/zinc/55/87/60/1141558760.db2.gz RCPRJJCQTWYTIY-FQEVSTJZSA-N 2 1 341.524 3.804 20 0 EHADMP C[C@H](C[NH2+]Cc1ccc(Br)s1)C[NH+]1CCCCC1 ZINC000037997597 213186287 /nfs/dbraw/zinc/18/62/87/213186287.db2.gz SEDKWXBVGCWSPK-GFCCVEGCSA-N 2 1 331.323 3.722 20 0 EHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC([NH3+])C3)CC2)nc1 ZINC001164386883 718802740 /nfs/dbraw/zinc/80/27/40/718802740.db2.gz GOWQFAZQCZWVBW-IBGZPJMESA-N 2 1 342.531 3.726 20 0 EHADMP c1cc2c(cc[nH+]c2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC001164626442 719057259 /nfs/dbraw/zinc/05/72/59/719057259.db2.gz RBNBMZZDAPVOMW-XLIONFOSSA-N 2 1 332.451 3.664 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537985755 1032062964 /nfs/dbraw/zinc/06/29/64/1032062964.db2.gz CQXFYANKONVBCY-YRGRVCCFSA-N 2 1 331.287 3.691 20 0 EHADMP Fc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000904476966 1032072656 /nfs/dbraw/zinc/07/26/56/1032072656.db2.gz VNQQDDWMBKMDQU-HKUYNNGSSA-N 2 1 346.833 3.825 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(OC)n2)CC1)CC(C)C ZINC000537994890 1032087443 /nfs/dbraw/zinc/08/74/43/1032087443.db2.gz JHWBXVFNMPYTCT-UHFFFAOYSA-N 2 1 333.520 3.670 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437323 1014451463 /nfs/dbraw/zinc/45/14/63/1014451463.db2.gz NPXJKQCDFIGDEA-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437323 1014451468 /nfs/dbraw/zinc/45/14/68/1014451468.db2.gz NPXJKQCDFIGDEA-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437323 1014451475 /nfs/dbraw/zinc/45/14/75/1014451475.db2.gz NPXJKQCDFIGDEA-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437323 1014451478 /nfs/dbraw/zinc/45/14/78/1014451478.db2.gz NPXJKQCDFIGDEA-IBGZPJMESA-N 2 1 329.875 3.806 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1OC(F)F ZINC000643546004 1014477561 /nfs/dbraw/zinc/47/75/61/1014477561.db2.gz GZWJSWXBMHOUPM-AAEUAGOBSA-N 2 1 328.378 3.752 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)s1 ZINC000643546672 1014481391 /nfs/dbraw/zinc/48/13/91/1014481391.db2.gz SPAXYRKGAQKOMX-WDEREUQCSA-N 2 1 329.307 3.836 20 0 EHADMP C[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449063352 1032106673 /nfs/dbraw/zinc/10/66/73/1032106673.db2.gz PHEZJQICBBWQOT-UHFFFAOYSA-N 2 1 341.268 3.518 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579831595 1015119040 /nfs/dbraw/zinc/11/90/40/1015119040.db2.gz BKFSROYSMRZOQX-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579831595 1015119044 /nfs/dbraw/zinc/11/90/44/1015119044.db2.gz BKFSROYSMRZOQX-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579831595 1015119049 /nfs/dbraw/zinc/11/90/49/1015119049.db2.gz BKFSROYSMRZOQX-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579831595 1015119053 /nfs/dbraw/zinc/11/90/53/1015119053.db2.gz BKFSROYSMRZOQX-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579831595 1015119056 /nfs/dbraw/zinc/11/90/56/1015119056.db2.gz BKFSROYSMRZOQX-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c(F)c1 ZINC001279212396 1015600034 /nfs/dbraw/zinc/60/00/34/1015600034.db2.gz KKNFUMXXFASIPG-UHFFFAOYSA-N 2 1 345.437 3.781 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000180206896 1015881990 /nfs/dbraw/zinc/88/19/90/1015881990.db2.gz LIBZLKDQRHBIFF-DLBZAZTESA-N 2 1 325.500 3.655 20 0 EHADMP COCC1(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000361287139 1016494328 /nfs/dbraw/zinc/49/43/28/1016494328.db2.gz JVEULVNOWYPCLJ-UHFFFAOYSA-N 2 1 330.516 3.647 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1Br ZINC000624119779 1016503629 /nfs/dbraw/zinc/50/36/29/1016503629.db2.gz JNGUMACGDHFMRC-KGLIPLIRSA-N 2 1 325.294 3.832 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1Br ZINC000624119779 1016503639 /nfs/dbraw/zinc/50/36/39/1016503639.db2.gz JNGUMACGDHFMRC-KGLIPLIRSA-N 2 1 325.294 3.832 20 0 EHADMP c1cc(-c2ncc(C[NH2+]C3CC[NH+](C4CCC4)CC3)s2)cs1 ZINC000343743994 1032149394 /nfs/dbraw/zinc/14/93/94/1032149394.db2.gz XDJGMMUCJAIESL-UHFFFAOYSA-N 2 1 333.526 3.978 20 0 EHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000536696011 1032153471 /nfs/dbraw/zinc/15/34/71/1032153471.db2.gz OVKDOKODGDBVCP-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000536696011 1032153477 /nfs/dbraw/zinc/15/34/77/1032153477.db2.gz OVKDOKODGDBVCP-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000536696011 1032153484 /nfs/dbraw/zinc/15/34/84/1032153484.db2.gz OVKDOKODGDBVCP-FQEVSTJZSA-N 2 1 335.495 3.912 20 0 EHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449132139 1032224093 /nfs/dbraw/zinc/22/40/93/1032224093.db2.gz SEHGLLGRQSMCDT-KRWDZBQOSA-N 2 1 342.483 3.598 20 0 EHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449168728 1032261935 /nfs/dbraw/zinc/26/19/35/1032261935.db2.gz DYRVVJRKFPNWPR-QZTJIDSGSA-N 2 1 343.540 3.891 20 0 EHADMP Brc1ccc(/C=C\C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459582403 1032281075 /nfs/dbraw/zinc/28/10/75/1032281075.db2.gz RCEBTMVKLLFUJW-UPHRSURJSA-N 2 1 335.289 3.679 20 0 EHADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440239 1032300084 /nfs/dbraw/zinc/30/00/84/1032300084.db2.gz KRPKRKNPKUCEQI-MDKPJZGXSA-N 2 1 348.506 3.626 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CCCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000449227550 1032345607 /nfs/dbraw/zinc/34/56/07/1032345607.db2.gz VEMMKUDHLQNMQD-IDHHARJASA-N 2 1 330.520 3.867 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000081632900 1032355352 /nfs/dbraw/zinc/35/53/52/1032355352.db2.gz QLCHZHLZVPCOOU-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632900 1032355365 /nfs/dbraw/zinc/35/53/65/1032355365.db2.gz QLCHZHLZVPCOOU-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632900 1032355369 /nfs/dbraw/zinc/35/53/69/1032355369.db2.gz QLCHZHLZVPCOOU-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632900 1032355381 /nfs/dbraw/zinc/35/53/81/1032355381.db2.gz QLCHZHLZVPCOOU-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000081632900 1032355391 /nfs/dbraw/zinc/35/53/91/1032355391.db2.gz QLCHZHLZVPCOOU-MRXNPFEDSA-N 2 1 327.447 3.538 20 0 EHADMP C/C(Cl)=C/C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000528495667 1032356659 /nfs/dbraw/zinc/35/66/59/1032356659.db2.gz YPHQMUUFVHPJRP-SUSILRQXSA-N 2 1 325.909 3.572 20 0 EHADMP C/C(Cl)=C/C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000528495667 1032356672 /nfs/dbraw/zinc/35/66/72/1032356672.db2.gz YPHQMUUFVHPJRP-SUSILRQXSA-N 2 1 325.909 3.572 20 0 EHADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000648450030 1032419775 /nfs/dbraw/zinc/41/97/75/1032419775.db2.gz MCBLONOJMQFSTN-IBGZPJMESA-N 2 1 335.580 3.740 20 0 EHADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127071004 1122459648 /nfs/dbraw/zinc/45/96/48/1122459648.db2.gz RXNWMTLEHRUWFG-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000127071004 1122459656 /nfs/dbraw/zinc/45/96/56/1122459656.db2.gz RXNWMTLEHRUWFG-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000127071004 1122459659 /nfs/dbraw/zinc/45/96/59/1122459659.db2.gz RXNWMTLEHRUWFG-NEPJUHHUSA-N 2 1 329.257 3.581 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459731504 1032436130 /nfs/dbraw/zinc/43/61/30/1032436130.db2.gz FEUDLTCRFRHCFB-IJXRJRJASA-N 2 1 348.556 3.646 20 0 EHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000459775338 1032463978 /nfs/dbraw/zinc/46/39/78/1032463978.db2.gz JKTKHDSMWNVSCZ-LLVKDONJSA-N 2 1 347.247 3.549 20 0 EHADMP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000537016736 1032473505 /nfs/dbraw/zinc/47/35/05/1032473505.db2.gz UIZGDKWJDYHRGS-UEXGIBASSA-N 2 1 348.531 3.871 20 0 EHADMP Fc1cnccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000449337472 1032474065 /nfs/dbraw/zinc/47/40/65/1032474065.db2.gz BKLRNZHDUPWLGF-UHFFFAOYSA-N 2 1 339.458 3.709 20 0 EHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3n2)CC1 ZINC000449339266 1032476110 /nfs/dbraw/zinc/47/61/10/1032476110.db2.gz TYECJHDQGXGVMK-QGZVFWFLSA-N 2 1 348.494 3.748 20 0 EHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797892 1032480853 /nfs/dbraw/zinc/48/08/53/1032480853.db2.gz XCPDBZBTTDEDJY-GOEBONIOSA-N 2 1 328.422 3.958 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CCCC2)o1 ZINC000423193091 1032515040 /nfs/dbraw/zinc/51/50/40/1032515040.db2.gz WKPRVNYDSAKWLW-FQEVSTJZSA-N 2 1 327.472 3.984 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449486831 1032639208 /nfs/dbraw/zinc/63/92/08/1032639208.db2.gz VNZWDRMTOMLYSO-PZJWPPBQSA-N 2 1 337.511 3.965 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449486831 1032639218 /nfs/dbraw/zinc/63/92/18/1032639218.db2.gz VNZWDRMTOMLYSO-PZJWPPBQSA-N 2 1 337.511 3.965 20 0 EHADMP c1cn(C2CC2)c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000892743659 1017291970 /nfs/dbraw/zinc/29/19/70/1017291970.db2.gz XTHLXKCKJDQLQH-UHFFFAOYSA-N 2 1 338.499 3.884 20 0 EHADMP Cc1cccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655703581 1017428596 /nfs/dbraw/zinc/42/85/96/1017428596.db2.gz IOUVDAZUFFOSNM-FQEVSTJZSA-N 2 1 330.516 3.506 20 0 EHADMP Clc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415039945 1017444640 /nfs/dbraw/zinc/44/46/40/1017444640.db2.gz NOERVYGZKKGIEU-OAHLLOKOSA-N 2 1 336.888 3.537 20 0 EHADMP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655718765 1017455605 /nfs/dbraw/zinc/45/56/05/1017455605.db2.gz MBZQOZGNMVMURR-USXIJHARSA-N 2 1 348.453 3.588 20 0 EHADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549167327 1017479523 /nfs/dbraw/zinc/47/95/23/1017479523.db2.gz TYXYTMCKKZYSSW-OAQYLSRUSA-N 2 1 343.559 3.609 20 0 EHADMP Clc1cccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655728499 1017479679 /nfs/dbraw/zinc/47/96/79/1017479679.db2.gz VQBRJRZVPKDAMO-IBGZPJMESA-N 2 1 348.918 3.605 20 0 EHADMP CC(C)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655737168 1017495140 /nfs/dbraw/zinc/49/51/40/1017495140.db2.gz WJAIGYQBYXODMA-GCJKJVERSA-N 2 1 344.543 3.974 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)c1 ZINC000924606279 1017501479 /nfs/dbraw/zinc/50/14/79/1017501479.db2.gz CDCQBUJNEDLFMI-SFHVURJKSA-N 2 1 330.859 3.763 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000313764744 1017540629 /nfs/dbraw/zinc/54/06/29/1017540629.db2.gz DWCLPRHYBMFKMW-SJPCQFCGSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000313764744 1017540635 /nfs/dbraw/zinc/54/06/35/1017540635.db2.gz DWCLPRHYBMFKMW-SJPCQFCGSA-N 2 1 337.305 3.815 20 0 EHADMP Cc1ccc(Br)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000313764744 1017540642 /nfs/dbraw/zinc/54/06/42/1017540642.db2.gz DWCLPRHYBMFKMW-SJPCQFCGSA-N 2 1 337.305 3.815 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000655755148 1017547977 /nfs/dbraw/zinc/54/79/77/1017547977.db2.gz QXBCVGMGSXZTNM-VGOFRKELSA-N 2 1 342.527 3.859 20 0 EHADMP Cc1ccc(-c2ncc(C[NH2+]CC3=CC[N@@H+](C)CC3)s2)cc1C ZINC000655756817 1017549151 /nfs/dbraw/zinc/54/91/51/1017549151.db2.gz ZEKPWDKGSIBPTF-UHFFFAOYSA-N 2 1 327.497 3.778 20 0 EHADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000655774437 1017567158 /nfs/dbraw/zinc/56/71/58/1017567158.db2.gz BPILESJRURZBIX-HKBOAZHASA-N 2 1 342.527 3.659 20 0 EHADMP Cc1cc(F)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000415129012 1017592829 /nfs/dbraw/zinc/59/28/29/1017592829.db2.gz TYAGPBPZLFFXGH-KBXCAEBGSA-N 2 1 340.870 3.506 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000655788225 1017605005 /nfs/dbraw/zinc/60/50/05/1017605005.db2.gz FNBXUXHZACHWNJ-BRKWEVRTSA-N 2 1 342.527 3.977 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000655788225 1017605012 /nfs/dbraw/zinc/60/50/12/1017605012.db2.gz FNBXUXHZACHWNJ-BRKWEVRTSA-N 2 1 342.527 3.977 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340423104 1017728561 /nfs/dbraw/zinc/72/85/61/1017728561.db2.gz CFGGPDFOYARFPD-LPHOPBHVSA-N 2 1 330.472 3.659 20 0 EHADMP C[C@@H]([NH2+]Cc1noc2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655854793 1017790744 /nfs/dbraw/zinc/79/07/44/1017790744.db2.gz ZEFZFWRXYHSVHC-OAHLLOKOSA-N 2 1 339.439 3.619 20 0 EHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000340446079 1017854317 /nfs/dbraw/zinc/85/43/17/1017854317.db2.gz JEELVQQSYWVECW-MIJOPJBOSA-N 2 1 337.467 3.633 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@H]3CCCc4c(O)cccc43)CC2)[nH+]c1 ZINC000340479706 1018034634 /nfs/dbraw/zinc/03/46/34/1018034634.db2.gz MVUIZYBDLHCVOI-IBGZPJMESA-N 2 1 337.467 3.732 20 0 EHADMP CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC ZINC000377633701 1018096954 /nfs/dbraw/zinc/09/69/54/1018096954.db2.gz YFJOGOGGBLUSCR-DFNIBXOVSA-N 2 1 346.515 3.931 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC ZINC000377633701 1018096965 /nfs/dbraw/zinc/09/69/65/1018096965.db2.gz YFJOGOGGBLUSCR-DFNIBXOVSA-N 2 1 346.515 3.931 20 0 EHADMP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000377633701 1018096977 /nfs/dbraw/zinc/09/69/77/1018096977.db2.gz YFJOGOGGBLUSCR-DFNIBXOVSA-N 2 1 346.515 3.931 20 0 EHADMP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000377633701 1018096990 /nfs/dbraw/zinc/09/69/90/1018096990.db2.gz YFJOGOGGBLUSCR-DFNIBXOVSA-N 2 1 346.515 3.931 20 0 EHADMP Cc1nc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)sc1C ZINC000893017940 1018171525 /nfs/dbraw/zinc/17/15/25/1018171525.db2.gz BEMOIQVRYHQWKO-WMLDXEAASA-N 2 1 335.542 3.994 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cnc1F ZINC000893022240 1018189879 /nfs/dbraw/zinc/18/98/79/1018189879.db2.gz ZXTHIBVIUVIEAZ-DOTOQJQBSA-N 2 1 333.476 3.763 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cnc1F ZINC000893022240 1018189887 /nfs/dbraw/zinc/18/98/87/1018189887.db2.gz ZXTHIBVIUVIEAZ-DOTOQJQBSA-N 2 1 333.476 3.763 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1c(Cl)cccc1Cl ZINC000893086310 1018402455 /nfs/dbraw/zinc/40/24/55/1018402455.db2.gz OHXXYUCYMKYQJQ-UPVYCQEFSA-N 2 1 343.298 3.630 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000893086312 1018403822 /nfs/dbraw/zinc/40/38/22/1018403822.db2.gz OHXXYUCYMKYQJQ-ZAOFQPKFSA-N 2 1 343.298 3.630 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839846 1018458929 /nfs/dbraw/zinc/45/89/29/1018458929.db2.gz MYMQPCUYARMTGD-WFASDCNBSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839846 1018458943 /nfs/dbraw/zinc/45/89/43/1018458943.db2.gz MYMQPCUYARMTGD-WFASDCNBSA-N 2 1 330.444 3.652 20 0 EHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839846 1018458951 /nfs/dbraw/zinc/45/89/51/1018458951.db2.gz MYMQPCUYARMTGD-WFASDCNBSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839846 1018458958 /nfs/dbraw/zinc/45/89/58/1018458958.db2.gz MYMQPCUYARMTGD-WFASDCNBSA-N 2 1 330.444 3.652 20 0 EHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(CSC(F)F)o2)C1 ZINC000377839846 1018458966 /nfs/dbraw/zinc/45/89/66/1018458966.db2.gz MYMQPCUYARMTGD-WFASDCNBSA-N 2 1 330.444 3.652 20 0 EHADMP CCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000893098684 1018475058 /nfs/dbraw/zinc/47/50/58/1018475058.db2.gz RKWKZIBMPXQEIM-SJLPKXTDSA-N 2 1 328.456 3.821 20 0 EHADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000556497076 1018660289 /nfs/dbraw/zinc/66/02/89/1018660289.db2.gz CXLPPNHHCSHZKG-UXHICEINSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH2+]CC1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000706471657 1018685443 /nfs/dbraw/zinc/68/54/43/1018685443.db2.gz GHFBOKJQSFBQLM-UHFFFAOYSA-N 2 1 331.685 3.534 20 0 EHADMP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160465204 1019107251 /nfs/dbraw/zinc/10/72/51/1019107251.db2.gz RJGQAEIYLJRYQR-MRXNPFEDSA-N 2 1 336.545 3.529 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000052208983 1019312428 /nfs/dbraw/zinc/31/24/28/1019312428.db2.gz PVBHEKASGWRXLK-UHFFFAOYSA-N 2 1 348.922 3.932 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000513208138 1019413938 /nfs/dbraw/zinc/41/39/38/1019413938.db2.gz NHLMEOVAOYBXOH-RXVVDRJESA-N 2 1 338.495 3.968 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000513208138 1019413949 /nfs/dbraw/zinc/41/39/49/1019413949.db2.gz NHLMEOVAOYBXOH-RXVVDRJESA-N 2 1 338.495 3.968 20 0 EHADMP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1OCC2 ZINC000513420898 1019634831 /nfs/dbraw/zinc/63/48/31/1019634831.db2.gz RJGDCCMVMQYYOL-LJQANCHMSA-N 2 1 328.500 3.710 20 0 EHADMP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1OCC2 ZINC000513420898 1019634845 /nfs/dbraw/zinc/63/48/45/1019634845.db2.gz RJGDCCMVMQYYOL-LJQANCHMSA-N 2 1 328.500 3.710 20 0 EHADMP COC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513668417 1019920882 /nfs/dbraw/zinc/92/08/82/1019920882.db2.gz YEEHXTZCXIONMH-SLFFLAALSA-N 2 1 330.516 3.692 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H]2CCC[C@@H]21 ZINC000513673656 1019923430 /nfs/dbraw/zinc/92/34/30/1019923430.db2.gz VNVXXZSRVZLUAR-BPUTZDHNSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H]2CCC[C@@H]21 ZINC000513673656 1019923443 /nfs/dbraw/zinc/92/34/43/1019923443.db2.gz VNVXXZSRVZLUAR-BPUTZDHNSA-N 2 1 341.268 3.551 20 0 EHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000513684020 1019936665 /nfs/dbraw/zinc/93/66/65/1019936665.db2.gz ODDHKHIPKYPJQS-GOSISDBHSA-N 2 1 343.540 3.503 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000513684020 1019936672 /nfs/dbraw/zinc/93/66/72/1019936672.db2.gz ODDHKHIPKYPJQS-GOSISDBHSA-N 2 1 343.540 3.503 20 0 EHADMP CC(C)n1nccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000280222914 1020207468 /nfs/dbraw/zinc/20/74/68/1020207468.db2.gz JAYCCEJOZUJTHU-QZTJIDSGSA-N 2 1 340.515 3.710 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000548159077 1020625153 /nfs/dbraw/zinc/62/51/53/1020625153.db2.gz OJOWWTWARHMECE-SFHVURJKSA-N 2 1 330.516 3.587 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC2CCCCC2)[C@H](C)C1 ZINC000501051766 1020670509 /nfs/dbraw/zinc/67/05/09/1020670509.db2.gz LCJDSOYMMPJMDK-MJGOQNOKSA-N 2 1 342.593 3.779 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](CNCc3ccc4c(n3)CCC4)C2)cc1 ZINC000656493966 1020729298 /nfs/dbraw/zinc/72/92/98/1020729298.db2.gz RULXTIGBVZSUKM-IBGZPJMESA-N 2 1 335.495 3.572 20 0 EHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656493966 1020729311 /nfs/dbraw/zinc/72/93/11/1020729311.db2.gz RULXTIGBVZSUKM-IBGZPJMESA-N 2 1 335.495 3.572 20 0 EHADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC1 ZINC000430597276 1020875461 /nfs/dbraw/zinc/87/54/61/1020875461.db2.gz ZQOFQTRWWSISKV-FQEVSTJZSA-N 2 1 328.431 3.622 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276196063 1020877787 /nfs/dbraw/zinc/87/77/87/1020877787.db2.gz IUWTXYBBYSXIAM-JIPZTSHUSA-N 2 1 341.499 3.792 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000276196063 1020877793 /nfs/dbraw/zinc/87/77/93/1020877793.db2.gz IUWTXYBBYSXIAM-JIPZTSHUSA-N 2 1 341.499 3.792 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000581468694 1020938709 /nfs/dbraw/zinc/93/87/09/1020938709.db2.gz VBUNHZJATHUDES-QRVBRYPASA-N 2 1 332.536 3.691 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000341055666 1020952519 /nfs/dbraw/zinc/95/25/19/1020952519.db2.gz YCWQCKIKVNFZMG-UHFFFAOYSA-N 2 1 345.340 3.799 20 0 EHADMP C[C@@H](CC[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000518475537 1021221439 /nfs/dbraw/zinc/22/14/39/1021221439.db2.gz OEDPUCLAJRNMHZ-IBGZPJMESA-N 2 1 338.495 3.802 20 0 EHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000656785109 1021340081 /nfs/dbraw/zinc/34/00/81/1021340081.db2.gz IMHVBTZZCNRBEE-LJQANCHMSA-N 2 1 339.483 3.862 20 0 EHADMP CC(C)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167961458 1021402353 /nfs/dbraw/zinc/40/23/53/1021402353.db2.gz LKHBHPMKXQRDOZ-IHWFROFDSA-N 2 1 328.500 3.969 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426402509 1021482511 /nfs/dbraw/zinc/48/25/11/1021482511.db2.gz CONWSNQRJUSWKY-XWTMOSNGSA-N 2 1 348.531 3.678 20 0 EHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426402509 1021482513 /nfs/dbraw/zinc/48/25/13/1021482513.db2.gz CONWSNQRJUSWKY-XWTMOSNGSA-N 2 1 348.531 3.678 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000684387816 1021527521 /nfs/dbraw/zinc/52/75/21/1021527521.db2.gz JNZQDLOVUZQNMT-FYZZASKESA-N 2 1 330.516 3.834 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390934489 1021568070 /nfs/dbraw/zinc/56/80/70/1021568070.db2.gz GKRJOCFTSGWZHJ-ZBFHGGJFSA-N 2 1 328.378 3.549 20 0 EHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390934489 1021568079 /nfs/dbraw/zinc/56/80/79/1021568079.db2.gz GKRJOCFTSGWZHJ-ZBFHGGJFSA-N 2 1 328.378 3.549 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542705 1021666159 /nfs/dbraw/zinc/66/61/59/1021666159.db2.gz CYCWXDNKYMIYDF-KGLIPLIRSA-N 2 1 330.394 3.534 20 0 EHADMP Fc1cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)ccc1Br ZINC000261943968 1021826462 /nfs/dbraw/zinc/82/64/62/1021826462.db2.gz NDGRJXQMDDTJQE-MRXNPFEDSA-N 2 1 341.268 3.725 20 0 EHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000684428822 1021860700 /nfs/dbraw/zinc/86/07/00/1021860700.db2.gz FNSBSMDZFRWNEN-UHFFFAOYSA-N 2 1 328.500 3.926 20 0 EHADMP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167965817 1021870639 /nfs/dbraw/zinc/87/06/39/1021870639.db2.gz NIXCRSPRMGVUJN-XDNSSPFJSA-N 2 1 339.527 3.650 20 0 EHADMP Cc1ccc2[nH+]ccc(NCc3cc(C)[nH+]c(N4CCCC4)c3)c2c1 ZINC000581856569 1021924552 /nfs/dbraw/zinc/92/45/52/1021924552.db2.gz ANFXNCVSWVKQTJ-UHFFFAOYSA-N 2 1 332.451 3.881 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911986 1022064457 /nfs/dbraw/zinc/06/44/57/1022064457.db2.gz XGJKSDBIEPYRHJ-CYBMUJFWSA-N 2 1 327.453 3.788 20 0 EHADMP CC(C)[NH+](CCC[NH2+]Cc1cnc(-c2ccncc2)s1)C(C)C ZINC000440322340 1022103163 /nfs/dbraw/zinc/10/31/63/1022103163.db2.gz APUMRPWVGGQENI-UHFFFAOYSA-N 2 1 332.517 3.804 20 0 EHADMP CC1(C)Cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ccc2O1 ZINC001167966659 1022115721 /nfs/dbraw/zinc/11/57/21/1022115721.db2.gz YLYGDHBZSOAJGB-IHWFROFDSA-N 2 1 340.511 3.895 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC000441382780 1022185712 /nfs/dbraw/zinc/18/57/12/1022185712.db2.gz LGIBSZAVMXWUFD-JBACZVJFSA-N 2 1 343.559 3.574 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000510486495 1022211777 /nfs/dbraw/zinc/21/17/77/1022211777.db2.gz AGUGRMJSXMROJQ-OAQYLSRUSA-N 2 1 343.559 3.705 20 0 EHADMP CCc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441409759 1022219756 /nfs/dbraw/zinc/21/97/56/1022219756.db2.gz JVSNPCYPKQFSIX-GHTZIAJQSA-N 2 1 328.500 3.577 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nccn2C2CC2)CC1)CC(C)C ZINC000894476925 1022365895 /nfs/dbraw/zinc/36/58/95/1022365895.db2.gz KPRQVAPASPLRKY-UHFFFAOYSA-N 2 1 332.536 3.798 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nccn2C2CC2)CC1)CC(C)C ZINC000894476925 1022365908 /nfs/dbraw/zinc/36/59/08/1022365908.db2.gz KPRQVAPASPLRKY-UHFFFAOYSA-N 2 1 332.536 3.798 20 0 EHADMP FC(F)(F)Oc1cccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000438078240 1022367168 /nfs/dbraw/zinc/36/71/68/1022367168.db2.gz WYYBCDPTVMNDLI-INIZCTEOSA-N 2 1 342.405 3.545 20 0 EHADMP c1cc(-c2n[nH]cc2CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000438123780 1022402843 /nfs/dbraw/zinc/40/28/43/1022402843.db2.gz TXWGBFRAEIKGPF-KBXCAEBGSA-N 2 1 342.512 3.587 20 0 EHADMP COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(OC)c1 ZINC001167995077 1022407584 /nfs/dbraw/zinc/40/75/84/1022407584.db2.gz VCVONRDZMBBJNL-DFNIBXOVSA-N 2 1 344.499 3.541 20 0 EHADMP Cc1noc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc12 ZINC001167973753 1022521450 /nfs/dbraw/zinc/52/14/50/1022521450.db2.gz MSLNTTOVPXCYRJ-AYHJJNSGSA-N 2 1 325.456 3.631 20 0 EHADMP COc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167975102 1022570477 /nfs/dbraw/zinc/57/04/77/1022570477.db2.gz HBDDBTACYMJRRC-IHWFROFDSA-N 2 1 340.511 3.765 20 0 EHADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993858 1022610552 /nfs/dbraw/zinc/61/05/52/1022610552.db2.gz MXCNAICPCCSKEB-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425993858 1022610556 /nfs/dbraw/zinc/61/05/56/1022610556.db2.gz MXCNAICPCCSKEB-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993858 1022610561 /nfs/dbraw/zinc/61/05/61/1022610561.db2.gz MXCNAICPCCSKEB-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993858 1022610565 /nfs/dbraw/zinc/61/05/65/1022610565.db2.gz MXCNAICPCCSKEB-SIKLNZKXSA-N 2 1 338.495 3.625 20 0 EHADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Cc1ccncc1 ZINC001167975715 1022659421 /nfs/dbraw/zinc/65/94/21/1022659421.db2.gz UWVOGXKGOAOSMR-IHWFROFDSA-N 2 1 327.516 3.645 20 0 EHADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000341639712 1022743083 /nfs/dbraw/zinc/74/30/83/1022743083.db2.gz MAUUHBOURAIIPA-YOEHRIQHSA-N 2 1 345.314 3.881 20 0 EHADMP Fc1ncccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167978172 1022749319 /nfs/dbraw/zinc/74/93/19/1022749319.db2.gz LKAWVGAVEWCJOP-RGPMPMONSA-N 2 1 329.463 3.667 20 0 EHADMP Fc1ncccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167978172 1022749327 /nfs/dbraw/zinc/74/93/27/1022749327.db2.gz LKAWVGAVEWCJOP-RGPMPMONSA-N 2 1 329.463 3.667 20 0 EHADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000449691015 1033077549 /nfs/dbraw/zinc/07/75/49/1033077549.db2.gz SYIIABZQKNNVCC-CTNGQTDRSA-N 2 1 330.516 3.661 20 0 EHADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC(C)C ZINC000341641288 1022755173 /nfs/dbraw/zinc/75/51/73/1022755173.db2.gz OFEJTABGQCMRKA-HNNXBMFYSA-N 2 1 331.460 3.728 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414941921 1022933077 /nfs/dbraw/zinc/93/30/77/1022933077.db2.gz CWLBWYYTRQMGSF-HIFRSBDPSA-N 2 1 340.895 3.758 20 0 EHADMP Cc1ccccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983891 1022962844 /nfs/dbraw/zinc/96/28/44/1022962844.db2.gz LCCSURQXHIJTOV-WCRBZPEASA-N 2 1 339.527 3.522 20 0 EHADMP Cc1ccccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983891 1022962860 /nfs/dbraw/zinc/96/28/60/1022962860.db2.gz LCCSURQXHIJTOV-WCRBZPEASA-N 2 1 339.527 3.522 20 0 EHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH2+]1 ZINC000414954988 1023004001 /nfs/dbraw/zinc/00/40/01/1023004001.db2.gz TVPOUZPXJQBYDW-QWHCGFSZSA-N 2 1 327.453 3.786 20 0 EHADMP OCc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638543861 1023010492 /nfs/dbraw/zinc/01/04/92/1023010492.db2.gz BJCOSMVPCFGGJB-IFMALSPDSA-N 2 1 336.479 3.637 20 0 EHADMP OCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638543861 1023010503 /nfs/dbraw/zinc/01/05/03/1023010503.db2.gz BJCOSMVPCFGGJB-IFMALSPDSA-N 2 1 336.479 3.637 20 0 EHADMP Cc1cc(N)cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000414965068 1023123500 /nfs/dbraw/zinc/12/35/00/1023123500.db2.gz MWOXRADEKJBLDF-UHFFFAOYSA-N 2 1 341.474 3.513 20 0 EHADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427099256 1023214186 /nfs/dbraw/zinc/21/41/86/1023214186.db2.gz GWSCYEGTTFOUCF-RDJZCZTQSA-N 2 1 326.406 3.712 20 0 EHADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414977037 1023229534 /nfs/dbraw/zinc/22/95/34/1023229534.db2.gz JLJVYLDDNOWCQH-SFHVURJKSA-N 2 1 338.430 3.505 20 0 EHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCC2 ZINC000536423572 1023269347 /nfs/dbraw/zinc/26/93/47/1023269347.db2.gz DDSPOYHMLMXQHD-QFIPXVFZSA-N 2 1 343.559 3.805 20 0 EHADMP Fc1cccc(O[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168001688 1023294893 /nfs/dbraw/zinc/29/48/93/1023294893.db2.gz GFURZQITUADNJA-KXZRCVDZSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1cccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168001688 1023294904 /nfs/dbraw/zinc/29/49/04/1023294904.db2.gz GFURZQITUADNJA-KXZRCVDZSA-N 2 1 344.474 3.684 20 0 EHADMP Fc1cccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168001688 1023294912 /nfs/dbraw/zinc/29/49/12/1023294912.db2.gz GFURZQITUADNJA-KXZRCVDZSA-N 2 1 344.474 3.684 20 0 EHADMP CC1(C)CC([NH2+]Cc2sccc2Br)CC(C)(C)[NH2+]1 ZINC000133294304 1023483682 /nfs/dbraw/zinc/48/36/82/1023483682.db2.gz BLUWZEZVGNIIOD-UHFFFAOYSA-N 2 1 331.323 3.909 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449738436 1033138293 /nfs/dbraw/zinc/13/82/93/1033138293.db2.gz BTQNCSNPARXPBY-UYAOXDASSA-N 2 1 344.543 3.960 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000449738436 1033138297 /nfs/dbraw/zinc/13/82/97/1033138297.db2.gz BTQNCSNPARXPBY-UYAOXDASSA-N 2 1 344.543 3.960 20 0 EHADMP COCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960215 1023536075 /nfs/dbraw/zinc/53/60/75/1023536075.db2.gz QRCPGTNBUNGTLF-SXLOBPIMSA-N 2 1 332.532 3.938 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCOC1 ZINC000510962037 1023539031 /nfs/dbraw/zinc/53/90/31/1023539031.db2.gz YQMLQCLLOCMJOA-DFQSSKMNSA-N 2 1 330.516 3.692 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCOC1 ZINC000510962037 1023539035 /nfs/dbraw/zinc/53/90/35/1023539035.db2.gz YQMLQCLLOCMJOA-DFQSSKMNSA-N 2 1 330.516 3.692 20 0 EHADMP COCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000449743602 1033146679 /nfs/dbraw/zinc/14/66/79/1033146679.db2.gz ZMPISMVDWCOWSU-UHFFFAOYSA-N 2 1 348.506 3.629 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000535813191 1023653882 /nfs/dbraw/zinc/65/38/82/1023653882.db2.gz QZUYMKQZBVADCF-UHFFFAOYSA-N 2 1 344.478 3.564 20 0 EHADMP C[C@H]1CC2(CC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776724 1033162494 /nfs/dbraw/zinc/16/24/94/1033162494.db2.gz VJUGNNUTCBIVFF-FNOBOGDDSA-N 2 1 340.511 3.731 20 0 EHADMP C[C@H]1CC2(CC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897776724 1033162504 /nfs/dbraw/zinc/16/25/04/1033162504.db2.gz VJUGNNUTCBIVFF-FNOBOGDDSA-N 2 1 340.511 3.731 20 0 EHADMP COc1cc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000639077497 1023955782 /nfs/dbraw/zinc/95/57/82/1023955782.db2.gz MPNSBTWZYMFAFY-SJORKVTESA-N 2 1 327.472 3.764 20 0 EHADMP COc1cc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000639077497 1023955794 /nfs/dbraw/zinc/95/57/94/1023955794.db2.gz MPNSBTWZYMFAFY-SJORKVTESA-N 2 1 327.472 3.764 20 0 EHADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000522191077 1024011627 /nfs/dbraw/zinc/01/16/27/1024011627.db2.gz FYZQPWZERIZURX-HXUWFJFHSA-N 2 1 343.515 3.528 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000514085722 1024119321 /nfs/dbraw/zinc/11/93/21/1024119321.db2.gz WYPFEBPGFCTEAY-FSSWDIPSSA-N 3 1 341.543 3.635 20 0 EHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000514085722 1024119331 /nfs/dbraw/zinc/11/93/31/1024119331.db2.gz WYPFEBPGFCTEAY-FSSWDIPSSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000514085722 1024119339 /nfs/dbraw/zinc/11/93/39/1024119339.db2.gz WYPFEBPGFCTEAY-FSSWDIPSSA-N 2 1 341.543 3.635 20 0 EHADMP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000514085722 1024119347 /nfs/dbraw/zinc/11/93/47/1024119347.db2.gz WYPFEBPGFCTEAY-FSSWDIPSSA-N 2 1 341.543 3.635 20 0 EHADMP Clc1sc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000191693446 1024151004 /nfs/dbraw/zinc/15/10/04/1024151004.db2.gz WROKPBYNNMELFI-VIFPVBQESA-N 2 1 349.725 3.738 20 0 EHADMP Clc1sc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000191693446 1024151009 /nfs/dbraw/zinc/15/10/09/1024151009.db2.gz WROKPBYNNMELFI-VIFPVBQESA-N 2 1 349.725 3.738 20 0 EHADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000434757516 1024406431 /nfs/dbraw/zinc/40/64/31/1024406431.db2.gz PXZZOLCZMVGLEZ-NSISKUIASA-N 2 1 330.516 3.558 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)cc1 ZINC000166674955 1024452736 /nfs/dbraw/zinc/45/27/36/1024452736.db2.gz KRUUMPJQSLLRQF-UONOGXRCSA-N 2 1 335.455 3.999 20 0 EHADMP CC[N@@H+](CCc1cccs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346165903 1024478926 /nfs/dbraw/zinc/47/89/26/1024478926.db2.gz FSXCYWHSKNAXED-UHFFFAOYSA-N 2 1 326.469 3.702 20 0 EHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000246700378 1024489607 /nfs/dbraw/zinc/48/96/07/1024489607.db2.gz NCJAKHBSOYVBBM-FUHIMQAGSA-N 2 1 349.950 3.939 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029051 1024528635 /nfs/dbraw/zinc/52/86/35/1024528635.db2.gz SDEWJUSYJORJGA-LHZDDQLASA-N 3 1 343.559 3.925 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168029051 1024528641 /nfs/dbraw/zinc/52/86/41/1024528641.db2.gz SDEWJUSYJORJGA-LHZDDQLASA-N 2 1 343.559 3.925 20 0 EHADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000507817247 1024627313 /nfs/dbraw/zinc/62/73/13/1024627313.db2.gz XKSMRGLWBZQNDK-FPOVZHCZSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H]1C[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817247 1024627321 /nfs/dbraw/zinc/62/73/21/1024627321.db2.gz XKSMRGLWBZQNDK-FPOVZHCZSA-N 2 1 330.516 3.788 20 0 EHADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000507817247 1024627329 /nfs/dbraw/zinc/62/73/29/1024627329.db2.gz XKSMRGLWBZQNDK-FPOVZHCZSA-N 2 1 330.516 3.788 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOCC(F)(F)F)cc1 ZINC000151828971 1024745371 /nfs/dbraw/zinc/74/53/71/1024745371.db2.gz RHARHQDYMPNWHF-ZDUSSCGKSA-N 2 1 341.377 3.800 20 0 EHADMP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000425340168 1024797500 /nfs/dbraw/zinc/79/75/00/1024797500.db2.gz DOUAKVVRRJNAGM-OALUTQOASA-N 2 1 330.497 3.895 20 0 EHADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000427827349 1024811162 /nfs/dbraw/zinc/81/11/62/1024811162.db2.gz QVCPQKYXNJPKEN-FUHWJXTLSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000427827349 1024811182 /nfs/dbraw/zinc/81/11/82/1024811182.db2.gz QVCPQKYXNJPKEN-FUHWJXTLSA-N 2 1 338.499 3.868 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376391 1024841525 /nfs/dbraw/zinc/84/15/25/1024841525.db2.gz ZKUDEPBLOUBWHZ-STQMWFEESA-N 2 1 327.453 3.725 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000435376391 1024841549 /nfs/dbraw/zinc/84/15/49/1024841549.db2.gz ZKUDEPBLOUBWHZ-STQMWFEESA-N 2 1 327.453 3.725 20 0 EHADMP CC(C)n1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430138 1024918139 /nfs/dbraw/zinc/91/81/39/1024918139.db2.gz YPITZBHEFPSTNS-SFHVURJKSA-N 2 1 344.528 3.670 20 0 EHADMP CC(C)n1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430138 1024918151 /nfs/dbraw/zinc/91/81/51/1024918151.db2.gz YPITZBHEFPSTNS-SFHVURJKSA-N 2 1 344.528 3.670 20 0 EHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414870271 1024974442 /nfs/dbraw/zinc/97/44/42/1024974442.db2.gz BXNIZZRKKLLIQE-UHFFFAOYSA-N 2 1 346.478 3.819 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000157653745 1025001351 /nfs/dbraw/zinc/00/13/51/1025001351.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157653745 1025001355 /nfs/dbraw/zinc/00/13/55/1025001355.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157653745 1025001359 /nfs/dbraw/zinc/00/13/59/1025001359.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 3 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000157653745 1025001364 /nfs/dbraw/zinc/00/13/64/1025001364.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CCN1C ZINC000157653745 1025001368 /nfs/dbraw/zinc/00/13/68/1025001368.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000157653745 1025001373 /nfs/dbraw/zinc/00/13/73/1025001373.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000157653745 1025001377 /nfs/dbraw/zinc/00/13/77/1025001377.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157653745 1025001382 /nfs/dbraw/zinc/00/13/82/1025001382.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157653745 1025001386 /nfs/dbraw/zinc/00/13/86/1025001386.db2.gz PEYFKVWKSJNZAF-DBXWQHBBSA-N 2 1 329.532 3.633 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000157654536 1025002441 /nfs/dbraw/zinc/00/24/41/1025002441.db2.gz RMBXSXFJSOMOPA-VLIAUNLRSA-N 2 1 339.414 3.704 20 0 EHADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000474463262 1025008417 /nfs/dbraw/zinc/00/84/17/1025008417.db2.gz BTMDOPNMJWACBE-KRWDZBQOSA-N 2 1 346.515 3.597 20 0 EHADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCCCn1ccnc1C ZINC000120073951 1033250258 /nfs/dbraw/zinc/25/02/58/1033250258.db2.gz SDZBKJDHLAMFNO-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP COc1ccccc1C[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000120073951 1033250267 /nfs/dbraw/zinc/25/02/67/1033250267.db2.gz SDZBKJDHLAMFNO-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000120073951 1033250281 /nfs/dbraw/zinc/25/02/81/1033250281.db2.gz SDZBKJDHLAMFNO-IBGZPJMESA-N 2 1 327.472 3.687 20 0 EHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C)cc1OC ZINC000474474994 1025028039 /nfs/dbraw/zinc/02/80/39/1025028039.db2.gz SXAIUYJKCMQBTE-IRXDYDNUSA-N 2 1 336.520 3.904 20 0 EHADMP CC(C)O[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000428204519 1025043280 /nfs/dbraw/zinc/04/32/80/1025043280.db2.gz JDDUHWQJIQBKMK-PZJWPPBQSA-N 2 1 330.516 3.816 20 0 EHADMP Cc1cc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000428219339 1025053082 /nfs/dbraw/zinc/05/30/82/1025053082.db2.gz OSQFEHJTFUBOEB-HMXCVIKNSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000428219339 1025053096 /nfs/dbraw/zinc/05/30/96/1025053096.db2.gz OSQFEHJTFUBOEB-HMXCVIKNSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000428219339 1025053108 /nfs/dbraw/zinc/05/31/08/1025053108.db2.gz OSQFEHJTFUBOEB-HMXCVIKNSA-N 2 1 339.483 3.763 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3cccc(C)n3)C2)s1 ZINC000520820024 1025075210 /nfs/dbraw/zinc/07/52/10/1025075210.db2.gz UZLDKTBMFVDCDK-SFHVURJKSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3cccc(C)n3)C2)s1 ZINC000520820024 1025075225 /nfs/dbraw/zinc/07/52/25/1025075225.db2.gz UZLDKTBMFVDCDK-SFHVURJKSA-N 2 1 343.540 3.756 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3cccc(C)n3)C2)s1 ZINC000520820024 1025075232 /nfs/dbraw/zinc/07/52/32/1025075232.db2.gz UZLDKTBMFVDCDK-SFHVURJKSA-N 2 1 343.540 3.756 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012486 1025109617 /nfs/dbraw/zinc/10/96/17/1025109617.db2.gz AVZZDVYRJJYBMC-PIKOESSRSA-N 2 1 330.516 3.975 20 0 EHADMP CC(C)[N@H+]1CC[C@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168012568 1025116001 /nfs/dbraw/zinc/11/60/01/1025116001.db2.gz CDKIYCSHOKKNEQ-GGPKGHCWSA-N 2 1 329.532 3.500 20 0 EHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C[C@@H]12 ZINC000346823151 1025151480 /nfs/dbraw/zinc/15/14/80/1025151480.db2.gz CFQMBKKMXMZMII-YSVLISHTSA-N 2 1 332.394 3.610 20 0 EHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C[C@H]12 ZINC000346823150 1025151545 /nfs/dbraw/zinc/15/15/45/1025151545.db2.gz CFQMBKKMXMZMII-UKPHBRMFSA-N 2 1 332.394 3.610 20 0 EHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657331326 1025238054 /nfs/dbraw/zinc/23/80/54/1025238054.db2.gz YILSRHNHUUCETC-UHFFFAOYSA-N 2 1 330.497 3.616 20 0 EHADMP [NH3+]C1(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1 ZINC000414876037 1025266265 /nfs/dbraw/zinc/26/62/65/1025266265.db2.gz KRVJGEAZKSKXLY-UHFFFAOYSA-N 2 1 326.284 3.695 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H](CO)CC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040026 1025270038 /nfs/dbraw/zinc/27/00/38/1025270038.db2.gz JWVWULPJLJERIE-NRVIEEGESA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H](CO)CC[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040026 1025270046 /nfs/dbraw/zinc/27/00/46/1025270046.db2.gz JWVWULPJLJERIE-NRVIEEGESA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](CO)CC[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040026 1025270053 /nfs/dbraw/zinc/27/00/53/1025270053.db2.gz JWVWULPJLJERIE-NRVIEEGESA-N 2 1 330.516 3.521 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](CO)CC[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040026 1025270062 /nfs/dbraw/zinc/27/00/62/1025270062.db2.gz JWVWULPJLJERIE-NRVIEEGESA-N 2 1 330.516 3.521 20 0 EHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000515483271 1025282096 /nfs/dbraw/zinc/28/20/96/1025282096.db2.gz APYLPQOFRPEPRP-OAHLLOKOSA-N 2 1 329.257 3.553 20 0 EHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000158022840 1025310731 /nfs/dbraw/zinc/31/07/31/1025310731.db2.gz NRXBEZCUUVLMPH-ZWKOTPCHSA-N 2 1 348.531 3.666 20 0 EHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878958 1025396977 /nfs/dbraw/zinc/39/69/77/1025396977.db2.gz OBZODOQPNPBKHN-SFHVURJKSA-N 2 1 325.500 3.907 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4nonc4c3)CC[N@@H+]2C2CC2)cc1 ZINC000897990571 1033282364 /nfs/dbraw/zinc/28/23/64/1033282364.db2.gz WVGPRVLHASTKGL-DYESRHJHSA-N 2 1 348.450 3.681 20 0 EHADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4nonc4c3)CC[N@H+]2C2CC2)cc1 ZINC000897990571 1033282375 /nfs/dbraw/zinc/28/23/75/1033282375.db2.gz WVGPRVLHASTKGL-DYESRHJHSA-N 2 1 348.450 3.681 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC)cc2C)[C@@H](C)C1 ZINC000657363721 1025531431 /nfs/dbraw/zinc/53/14/31/1025531431.db2.gz RJEXFMBBCZEPQE-GHTZIAJQSA-N 2 1 348.531 3.620 20 0 EHADMP Clc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Cl ZINC000530242897 1025532502 /nfs/dbraw/zinc/53/25/02/1025532502.db2.gz VROUDWGZSZXDRY-OAHLLOKOSA-N 2 1 343.298 3.584 20 0 EHADMP Clc1ccc(Cl)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530243685 1025533824 /nfs/dbraw/zinc/53/38/24/1025533824.db2.gz XIIFBYROVZMARD-MRXNPFEDSA-N 2 1 343.298 3.584 20 0 EHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442872411 1025545150 /nfs/dbraw/zinc/54/51/50/1025545150.db2.gz NISDYSBPNUMONJ-QGZVFWFLSA-N 2 1 349.588 3.864 20 0 EHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1Cl ZINC000442875826 1025548824 /nfs/dbraw/zinc/54/88/24/1025548824.db2.gz OWASCFOROIWXJH-ZDUSSCGKSA-N 2 1 344.330 3.670 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297013 1025560815 /nfs/dbraw/zinc/56/08/15/1025560815.db2.gz LMGZLNZAAXPNFP-WNOSKKOXSA-N 2 1 326.406 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436297013 1025560825 /nfs/dbraw/zinc/56/08/25/1025560825.db2.gz LMGZLNZAAXPNFP-WNOSKKOXSA-N 2 1 326.406 3.881 20 0 EHADMP CC1CCC(O)(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000607721301 1033290727 /nfs/dbraw/zinc/29/07/27/1033290727.db2.gz JAQHWHOZEMHUJS-UHFFFAOYSA-N 2 1 344.543 3.772 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000436300623 1025564241 /nfs/dbraw/zinc/56/42/41/1025564241.db2.gz KGAPXNOICPHMJA-ZIBCJSCZSA-N 2 1 330.516 3.659 20 0 EHADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442888415 1025571837 /nfs/dbraw/zinc/57/18/37/1025571837.db2.gz GQIZTSWVXKSYAR-FQEVSTJZSA-N 2 1 331.548 3.698 20 0 EHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001207282619 1025610381 /nfs/dbraw/zinc/61/03/81/1025610381.db2.gz MKQZWULDPYXZKK-HNNXBMFYSA-N 2 1 339.321 3.826 20 0 EHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000582235412 1025623818 /nfs/dbraw/zinc/62/38/18/1025623818.db2.gz GDAPIXYMONXHGE-QZTJIDSGSA-N 2 1 329.419 3.763 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000530321263 1025651979 /nfs/dbraw/zinc/65/19/79/1025651979.db2.gz XXZWNRVVZZKRSJ-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240986 1025672961 /nfs/dbraw/zinc/67/29/61/1025672961.db2.gz VWNZTLLCTKYOKN-XUVXKRRUSA-N 2 1 328.500 3.588 20 0 EHADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582240986 1025672969 /nfs/dbraw/zinc/67/29/69/1025672969.db2.gz VWNZTLLCTKYOKN-XUVXKRRUSA-N 2 1 328.500 3.588 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121733220 1025740563 /nfs/dbraw/zinc/74/05/63/1025740563.db2.gz GRZJHARTQBWLMZ-QGZVFWFLSA-N 3 1 340.515 3.953 20 0 EHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000639378540 1025745384 /nfs/dbraw/zinc/74/53/84/1025745384.db2.gz HVXYIFGMVYQZKQ-UHFFFAOYSA-N 2 1 340.515 3.702 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000121758137 1025757393 /nfs/dbraw/zinc/75/73/93/1025757393.db2.gz RXMDDEYMAROMNM-UHFFFAOYSA-N 2 1 327.403 3.760 20 0 EHADMP C[C@@H]1CC([N@@H+](C)C2CCC([NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168015575 1025860560 /nfs/dbraw/zinc/86/05/60/1025860560.db2.gz RNELKFVDTZXRCH-NXMBOHNASA-N 3 1 329.532 3.630 20 0 EHADMP C[C@@H]1CC([N@H+](C)C2CCC([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015575 1025860584 /nfs/dbraw/zinc/86/05/84/1025860584.db2.gz RNELKFVDTZXRCH-NXMBOHNASA-N 3 1 329.532 3.630 20 0 EHADMP C[C@@H]1CC([N@@H+](C)C2CCC([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015575 1025860612 /nfs/dbraw/zinc/86/06/12/1025860612.db2.gz RNELKFVDTZXRCH-NXMBOHNASA-N 3 1 329.532 3.630 20 0 EHADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)cc2)cc1 ZINC000544371255 1025980144 /nfs/dbraw/zinc/98/01/44/1025980144.db2.gz NRBBMLZGPRABBP-SFHVURJKSA-N 2 1 340.467 3.871 20 0 EHADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cc2)cc1 ZINC000544371255 1025980157 /nfs/dbraw/zinc/98/01/57/1025980157.db2.gz NRBBMLZGPRABBP-SFHVURJKSA-N 2 1 340.467 3.871 20 0 EHADMP CCC[N@@H+](Cc1ccc(F)c(Br)c1)C1CC[NH2+]CC1 ZINC000037539297 1026011379 /nfs/dbraw/zinc/01/13/79/1026011379.db2.gz ZHMVCMXSKXIACE-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cn1 ZINC000375692192 1026016893 /nfs/dbraw/zinc/01/68/93/1026016893.db2.gz ZKAGCUSADBJEAA-NSCUHMNNSA-N 2 1 340.377 3.657 20 0 EHADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000530566811 1026065929 /nfs/dbraw/zinc/06/59/29/1026065929.db2.gz FPTIWSQGRSCPSW-UHFFFAOYSA-N 2 1 337.305 3.864 20 0 EHADMP c1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000780533444 1026089286 /nfs/dbraw/zinc/08/92/86/1026089286.db2.gz RUTLLVWBPPYYRC-HLAWJBBLSA-N 2 1 328.500 3.556 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccn1 ZINC000158561891 1026122435 /nfs/dbraw/zinc/12/24/35/1026122435.db2.gz PALUYMNMHUDPEN-KSZLIROESA-N 2 1 339.483 3.542 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000530662828 1026180928 /nfs/dbraw/zinc/18/09/28/1026180928.db2.gz REJCODCGIPEKLP-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000530662828 1026180934 /nfs/dbraw/zinc/18/09/34/1026180934.db2.gz REJCODCGIPEKLP-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP COCc1csc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000657428870 1026250253 /nfs/dbraw/zinc/25/02/53/1026250253.db2.gz CGMURTXXVOTOBH-QFBILLFUSA-N 2 1 344.524 3.895 20 0 EHADMP c1ccc(CSCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000192695362 1026330181 /nfs/dbraw/zinc/33/01/81/1026330181.db2.gz UNGJOFKYAYZJBX-UYAOXDASSA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000192695362 1026330192 /nfs/dbraw/zinc/33/01/92/1026330192.db2.gz UNGJOFKYAYZJBX-UYAOXDASSA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000192695362 1026330204 /nfs/dbraw/zinc/33/02/04/1026330204.db2.gz UNGJOFKYAYZJBX-UYAOXDASSA-N 2 1 330.541 3.869 20 0 EHADMP c1ccc(CSCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000192695362 1026330209 /nfs/dbraw/zinc/33/02/09/1026330209.db2.gz UNGJOFKYAYZJBX-UYAOXDASSA-N 2 1 330.541 3.869 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901495 1026386714 /nfs/dbraw/zinc/38/67/14/1026386714.db2.gz DHJUQSMWDGYVLK-OCCSQVGLSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901495 1026386726 /nfs/dbraw/zinc/38/67/26/1026386726.db2.gz DHJUQSMWDGYVLK-OCCSQVGLSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901495 1026386736 /nfs/dbraw/zinc/38/67/36/1026386736.db2.gz DHJUQSMWDGYVLK-OCCSQVGLSA-N 2 1 343.284 3.893 20 0 EHADMP CC[N@H+](CCn1ccnc1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168060240 1026416224 /nfs/dbraw/zinc/41/62/24/1026416224.db2.gz VZOOPNWYJYXYLU-RTBURBONSA-N 2 1 340.515 3.647 20 0 EHADMP CC[N@@H+](CCn1ccnc1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168060240 1026416226 /nfs/dbraw/zinc/41/62/26/1026416226.db2.gz VZOOPNWYJYXYLU-RTBURBONSA-N 2 1 340.515 3.647 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000122361200 1026420084 /nfs/dbraw/zinc/42/00/84/1026420084.db2.gz RXHOSDQQBMWVIP-UHFFFAOYSA-N 2 1 336.439 3.901 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000122361200 1026420088 /nfs/dbraw/zinc/42/00/88/1026420088.db2.gz RXHOSDQQBMWVIP-UHFFFAOYSA-N 2 1 336.439 3.901 20 0 EHADMP C[C@H]([NH2+]C(C)(C)CNCCC(=O)Nc1ccccc1)c1ccccc1 ZINC000582601133 1026711116 /nfs/dbraw/zinc/71/11/16/1026711116.db2.gz IJUVDGOSTHBGMC-KRWDZBQOSA-N 2 1 339.483 3.734 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605643 1026719244 /nfs/dbraw/zinc/71/92/44/1026719244.db2.gz KDEFYJZFFJOHMV-HXUWFJFHSA-N 3 1 341.543 3.505 20 0 EHADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605643 1026719255 /nfs/dbraw/zinc/71/92/55/1026719255.db2.gz KDEFYJZFFJOHMV-HXUWFJFHSA-N 3 1 341.543 3.505 20 0 EHADMP CC(C)[C@H](CNc1cc[nH+]c2ccc(Cl)cc12)[NH+]1CCN(C)CC1 ZINC000301372297 1026781322 /nfs/dbraw/zinc/78/13/22/1026781322.db2.gz PZIDFDNPXBDXOK-IBGZPJMESA-N 2 1 346.906 3.572 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342718460 1026828020 /nfs/dbraw/zinc/82/80/20/1026828020.db2.gz YMCURVTUQIZSRI-RBUKOAKNSA-N 2 1 327.472 3.807 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378166 1026841812 /nfs/dbraw/zinc/84/18/12/1026841812.db2.gz DDHFJWMIGGFMRL-BBRMVZONSA-N 2 1 325.294 3.754 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378166 1026841818 /nfs/dbraw/zinc/84/18/18/1026841818.db2.gz DDHFJWMIGGFMRL-BBRMVZONSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378166 1026841827 /nfs/dbraw/zinc/84/18/27/1026841827.db2.gz DDHFJWMIGGFMRL-BBRMVZONSA-N 2 1 325.294 3.754 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378166 1026841840 /nfs/dbraw/zinc/84/18/40/1026841840.db2.gz DDHFJWMIGGFMRL-BBRMVZONSA-N 2 1 325.294 3.754 20 0 EHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(NC(=O)c2ccccc2)c1 ZINC000582660032 1026887386 /nfs/dbraw/zinc/88/73/86/1026887386.db2.gz KVYSYIQZNZGILM-ODMLGRRDSA-N 2 1 349.478 3.873 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535568 1027025072 /nfs/dbraw/zinc/02/50/72/1027025072.db2.gz OBVNAYSVSLORCP-ICSRJNTNSA-N 2 1 335.495 3.972 20 0 EHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000657535568 1027025082 /nfs/dbraw/zinc/02/50/82/1027025082.db2.gz OBVNAYSVSLORCP-ICSRJNTNSA-N 2 1 335.495 3.972 20 0 EHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000272826622 1027135411 /nfs/dbraw/zinc/13/54/11/1027135411.db2.gz DNFRDTYNXAMNPH-YVEFUNNKSA-N 2 1 345.314 3.878 20 0 EHADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)CC[C@H]1CCCC[NH+]1C ZINC000075860065 1027200884 /nfs/dbraw/zinc/20/08/84/1027200884.db2.gz YHZGKQQOUQRWBM-OAHLLOKOSA-N 2 1 348.516 3.537 20 0 EHADMP C[NH+](CCCc1nc(-c2cccs2)no1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860065 1027200898 /nfs/dbraw/zinc/20/08/98/1027200898.db2.gz YHZGKQQOUQRWBM-OAHLLOKOSA-N 2 1 348.516 3.537 20 0 EHADMP C[NH+](CCCc1nc(-c2cccs2)no1)CC[C@H]1CCCC[N@H+]1C ZINC000075860065 1027200912 /nfs/dbraw/zinc/20/09/12/1027200912.db2.gz YHZGKQQOUQRWBM-OAHLLOKOSA-N 2 1 348.516 3.537 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694975 1027214721 /nfs/dbraw/zinc/21/47/21/1027214721.db2.gz UKOWRVGIRWXDEV-WOIUINJBSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694975 1027214728 /nfs/dbraw/zinc/21/47/28/1027214728.db2.gz UKOWRVGIRWXDEV-WOIUINJBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694975 1027214746 /nfs/dbraw/zinc/21/47/46/1027214746.db2.gz UKOWRVGIRWXDEV-WOIUINJBSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000531694975 1027214762 /nfs/dbraw/zinc/21/47/62/1027214762.db2.gz UKOWRVGIRWXDEV-WOIUINJBSA-N 2 1 343.559 3.881 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000531725429 1027274976 /nfs/dbraw/zinc/27/49/76/1027274976.db2.gz VMABSVZVCFDYDQ-LNLFQRSKSA-N 2 1 336.545 3.926 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000531725429 1027274987 /nfs/dbraw/zinc/27/49/87/1027274987.db2.gz VMABSVZVCFDYDQ-LNLFQRSKSA-N 2 1 336.545 3.926 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccncn1 ZINC000453071094 1027284108 /nfs/dbraw/zinc/28/41/08/1027284108.db2.gz WSKQWRNVXMSUSV-KSZLIROESA-N 2 1 338.499 3.805 20 0 EHADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453093314 1027352673 /nfs/dbraw/zinc/35/26/73/1027352673.db2.gz FSJCFIUXDVOAEH-OTWHNJEPSA-N 2 1 341.524 3.984 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453104235 1027366254 /nfs/dbraw/zinc/36/62/54/1027366254.db2.gz FFOUEUCMNNOTSP-HOTGVXAUSA-N 2 1 337.471 3.579 20 0 EHADMP Cc1cn2c(C[NH2+]CCC[N@@H+](C)C3CCCCC3)c(C)nc2s1 ZINC000237078727 1027400121 /nfs/dbraw/zinc/40/01/21/1027400121.db2.gz VYXQPDDLCYFOJC-UHFFFAOYSA-N 2 1 334.533 3.757 20 0 EHADMP Cc1cn2c(C[NH2+]CCC[N@H+](C)C3CCCCC3)c(C)nc2s1 ZINC000237078727 1027400135 /nfs/dbraw/zinc/40/01/35/1027400135.db2.gz VYXQPDDLCYFOJC-UHFFFAOYSA-N 2 1 334.533 3.757 20 0 EHADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453146188 1027412143 /nfs/dbraw/zinc/41/21/43/1027412143.db2.gz SRBWFVGMIVJASA-LMYCIYFBSA-N 2 1 342.527 3.570 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420320668 1027466607 /nfs/dbraw/zinc/46/66/07/1027466607.db2.gz YVLBWNUHZPSTPG-SFHVURJKSA-N 2 1 344.890 3.679 20 0 EHADMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420320668 1027466615 /nfs/dbraw/zinc/46/66/15/1027466615.db2.gz YVLBWNUHZPSTPG-SFHVURJKSA-N 2 1 344.890 3.679 20 0 EHADMP Fc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000420331625 1027483191 /nfs/dbraw/zinc/48/31/91/1027483191.db2.gz FKNAATMEOFDGOZ-GOSISDBHSA-N 2 1 345.487 3.913 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000420366615 1027491293 /nfs/dbraw/zinc/49/12/93/1027491293.db2.gz GGCLCULKZDUCOB-GOEBONIOSA-N 2 1 344.421 3.648 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000453172626 1027493190 /nfs/dbraw/zinc/49/31/90/1027493190.db2.gz ICIGXNMCDXZBEQ-MHTWAQMVSA-N 2 1 342.527 3.977 20 0 EHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C1 ZINC000420381458 1027501539 /nfs/dbraw/zinc/50/15/39/1027501539.db2.gz CRJNDJMIWSSFEP-SJLPKXTDSA-N 2 1 349.544 3.519 20 0 EHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420405570 1027525843 /nfs/dbraw/zinc/52/58/43/1027525843.db2.gz TXHXHDIRTIDHJE-UYAOXDASSA-N 2 1 328.500 3.778 20 0 EHADMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000414657557 1027726875 /nfs/dbraw/zinc/72/68/75/1027726875.db2.gz KMUUEAMPJSYWDD-KUFXJBLOSA-N 2 1 336.479 3.948 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459338923 1027729309 /nfs/dbraw/zinc/72/93/09/1027729309.db2.gz BRLZSGARNASVBD-KRWDZBQOSA-N 2 1 342.531 3.831 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665811 1027773562 /nfs/dbraw/zinc/77/35/62/1027773562.db2.gz VYZDOIKJWXDPCD-YJBOKZPZSA-N 2 1 328.431 3.574 20 0 EHADMP c1cc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420902083 1027843875 /nfs/dbraw/zinc/84/38/75/1027843875.db2.gz MAHRKEWWOZNHCD-HXUWFJFHSA-N 2 1 342.508 3.917 20 0 EHADMP c1cc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420902083 1027843893 /nfs/dbraw/zinc/84/38/93/1027843893.db2.gz MAHRKEWWOZNHCD-HXUWFJFHSA-N 2 1 342.508 3.917 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069410 1027900212 /nfs/dbraw/zinc/90/02/12/1027900212.db2.gz VEKKRWQSUXGSKB-QIJUGHKUSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069410 1027900236 /nfs/dbraw/zinc/90/02/36/1027900236.db2.gz VEKKRWQSUXGSKB-QIJUGHKUSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069410 1027900255 /nfs/dbraw/zinc/90/02/55/1027900255.db2.gz VEKKRWQSUXGSKB-QIJUGHKUSA-N 3 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069410 1027900266 /nfs/dbraw/zinc/90/02/66/1027900266.db2.gz VEKKRWQSUXGSKB-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069410 1027900285 /nfs/dbraw/zinc/90/02/85/1027900285.db2.gz VEKKRWQSUXGSKB-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069410 1027900300 /nfs/dbraw/zinc/90/03/00/1027900300.db2.gz VEKKRWQSUXGSKB-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069410 1027900317 /nfs/dbraw/zinc/90/03/17/1027900317.db2.gz VEKKRWQSUXGSKB-QIJUGHKUSA-N 2 1 341.543 3.777 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422867664 1028003705 /nfs/dbraw/zinc/00/37/05/1028003705.db2.gz STHXRTOMMJXMRE-PCCBWWKXSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422867664 1028003723 /nfs/dbraw/zinc/00/37/23/1028003723.db2.gz STHXRTOMMJXMRE-PCCBWWKXSA-N 2 1 329.532 3.537 20 0 EHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422867664 1028003742 /nfs/dbraw/zinc/00/37/42/1028003742.db2.gz STHXRTOMMJXMRE-PCCBWWKXSA-N 2 1 329.532 3.537 20 0 EHADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422881382 1028016904 /nfs/dbraw/zinc/01/69/04/1028016904.db2.gz QMGGMDKSQCFJLE-WOJBJXKFSA-N 2 1 349.950 3.802 20 0 EHADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422901834 1028036346 /nfs/dbraw/zinc/03/63/46/1028036346.db2.gz SJMDGQFBHHDOFR-SIKLNZKXSA-N 2 1 343.559 3.860 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913321 1028045467 /nfs/dbraw/zinc/04/54/67/1028045467.db2.gz YFYGSAIYZOJIPK-OXJNMPFZSA-N 2 1 344.547 3.544 20 0 EHADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000533537361 1028045588 /nfs/dbraw/zinc/04/55/88/1028045588.db2.gz JQQKWZSCTSQKMY-QGZVFWFLSA-N 2 1 349.950 3.891 20 0 EHADMP COc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccccc2OC)cc1 ZINC000423000707 1028116531 /nfs/dbraw/zinc/11/65/31/1028116531.db2.gz HEYWGJDCRRQCPM-AVYPCKFXSA-N 2 1 328.456 3.509 20 0 EHADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1F ZINC000423015622 1028128398 /nfs/dbraw/zinc/12/83/98/1028128398.db2.gz AHNHSFHONXLWQC-ROOHIHILSA-N 2 1 344.405 3.871 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000582885875 1028132066 /nfs/dbraw/zinc/13/20/66/1028132066.db2.gz IAEIWTXZGRNWQB-CQSZACIVSA-N 2 1 333.476 3.769 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000582885875 1028132073 /nfs/dbraw/zinc/13/20/73/1028132073.db2.gz IAEIWTXZGRNWQB-CQSZACIVSA-N 2 1 333.476 3.769 20 0 EHADMP Cc1cccc([C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c2ccccn2)c1 ZINC000423024375 1028133857 /nfs/dbraw/zinc/13/38/57/1028133857.db2.gz LQGUOEDXONVLAO-VGOFRKELSA-N 2 1 346.478 3.992 20 0 EHADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423059407 1028154047 /nfs/dbraw/zinc/15/40/47/1028154047.db2.gz FPGNOPAWGDRXRT-MJGOQNOKSA-N 2 1 346.833 3.825 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503858132 1028171202 /nfs/dbraw/zinc/17/12/02/1028171202.db2.gz QRPZZZOGMIGOLN-DZJNRPSUSA-N 2 1 338.442 3.789 20 0 EHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503858132 1028171210 /nfs/dbraw/zinc/17/12/10/1028171210.db2.gz QRPZZZOGMIGOLN-DZJNRPSUSA-N 2 1 338.442 3.789 20 0 EHADMP CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414717272 1028180768 /nfs/dbraw/zinc/18/07/68/1028180768.db2.gz PNBSFHJXRHPINA-GOSISDBHSA-N 2 1 346.906 3.798 20 0 EHADMP CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414717272 1028180783 /nfs/dbraw/zinc/18/07/83/1028180783.db2.gz PNBSFHJXRHPINA-GOSISDBHSA-N 2 1 346.906 3.798 20 0 EHADMP CC(C)CCn1nc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c2ccccc21 ZINC000423153920 1028214190 /nfs/dbraw/zinc/21/41/90/1028214190.db2.gz ODGGGNHYSTXSTM-FUHWJXTLSA-N 2 1 328.504 3.560 20 0 EHADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423168918 1028238741 /nfs/dbraw/zinc/23/87/41/1028238741.db2.gz VJFKORULUVQZMF-HKUYMTLNSA-N 2 1 348.918 3.723 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269616056 1028263435 /nfs/dbraw/zinc/26/34/35/1028263435.db2.gz CVLDYGCTFWCNCA-AABGKKOBSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269616056 1028263441 /nfs/dbraw/zinc/26/34/41/1028263441.db2.gz CVLDYGCTFWCNCA-AABGKKOBSA-N 2 1 334.479 3.588 20 0 EHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269616056 1028263451 /nfs/dbraw/zinc/26/34/51/1028263451.db2.gz CVLDYGCTFWCNCA-AABGKKOBSA-N 2 1 334.479 3.588 20 0 EHADMP [NH3+]CCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000423196575 1028263583 /nfs/dbraw/zinc/26/35/83/1028263583.db2.gz VPLSMBXPCKLMRQ-MRXNPFEDSA-N 2 1 340.801 3.969 20 0 EHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423194182 1028264794 /nfs/dbraw/zinc/26/47/94/1028264794.db2.gz YIGMQDOGEDWDOT-UXHICEINSA-N 2 1 338.499 3.581 20 0 EHADMP C[C@H](NCC1([NH3+])CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423198444 1028268028 /nfs/dbraw/zinc/26/80/28/1028268028.db2.gz FWTLVTCJNQCOJS-AZUAARDMSA-N 2 1 329.532 3.538 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000423220238 1028287078 /nfs/dbraw/zinc/28/70/78/1028287078.db2.gz VDNJAGCYHJJOTI-GRYCIOLGSA-N 2 1 329.257 3.627 20 0 EHADMP C[C@@H]1CCCC[C@H]1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000414725028 1028295736 /nfs/dbraw/zinc/29/57/36/1028295736.db2.gz UOEATQOFEWUVRF-IKGGRYGDSA-N 2 1 333.545 3.914 20 0 EHADMP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000423231528 1028296662 /nfs/dbraw/zinc/29/66/62/1028296662.db2.gz LLTRVLUKULXKOT-VQSBLYBRSA-N 3 1 341.543 3.537 20 0 EHADMP COc1ccc2c(c1)[C@@H](NC[C@@H]([NH3+])c1ccccc1)CCCS2 ZINC000423243745 1028305935 /nfs/dbraw/zinc/30/59/35/1028305935.db2.gz MZOOIZUUMZZQMB-MSOLQXFVSA-N 2 1 328.481 3.912 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000421368258 1028327053 /nfs/dbraw/zinc/32/70/53/1028327053.db2.gz BTHBETHWZJAUFS-IBGZPJMESA-N 2 1 344.568 3.816 20 0 EHADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CCC1 ZINC000423320921 1028354136 /nfs/dbraw/zinc/35/41/36/1028354136.db2.gz GUWMECBRPUUVRP-ZDUSSCGKSA-N 2 1 329.669 3.561 20 0 EHADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CCC1 ZINC000423335080 1028371561 /nfs/dbraw/zinc/37/15/61/1028371561.db2.gz TYZCKCVKITYUQI-CYBMUJFWSA-N 2 1 329.669 3.561 20 0 EHADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000423395863 1028408391 /nfs/dbraw/zinc/40/83/91/1028408391.db2.gz SYVZYYLYYDLCQW-HEHGZKQESA-N 2 1 332.879 3.625 20 0 EHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423408100 1028425595 /nfs/dbraw/zinc/42/55/95/1028425595.db2.gz WXLHBVGZRZWHHD-CCKFTAQKSA-N 2 1 346.421 3.965 20 0 EHADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479456 1028462472 /nfs/dbraw/zinc/46/24/72/1028462472.db2.gz VHRCIEVOVRPASM-ABAIWWIYSA-N 2 1 336.277 3.635 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000582999646 1028489987 /nfs/dbraw/zinc/48/99/87/1028489987.db2.gz KNAVPAAQZAZSCA-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000582999646 1028489992 /nfs/dbraw/zinc/48/99/92/1028489992.db2.gz KNAVPAAQZAZSCA-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP Clc1cccc2c1CCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507023 1028472718 /nfs/dbraw/zinc/47/27/18/1028472718.db2.gz JKENABFNAVLRKF-ALLBUHFWSA-N 2 1 347.934 3.523 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423484125 1028474946 /nfs/dbraw/zinc/47/49/46/1028474946.db2.gz ZUPVCHDHJIHJHB-IKJYFWGWSA-N 3 1 329.532 3.537 20 0 EHADMP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1 ZINC000423512748 1028490386 /nfs/dbraw/zinc/49/03/86/1028490386.db2.gz PDCCYOGALJQNIL-MHJFOBGBSA-N 2 1 349.950 3.843 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccsc1 ZINC000246806160 1028693641 /nfs/dbraw/zinc/69/36/41/1028693641.db2.gz AJJUHAYMCZRMOD-JKSUJKDBSA-N 2 1 330.497 3.820 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccsc1 ZINC000246806160 1028693653 /nfs/dbraw/zinc/69/36/53/1028693653.db2.gz AJJUHAYMCZRMOD-JKSUJKDBSA-N 2 1 330.497 3.820 20 0 EHADMP C[N@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC([NH3+])C1 ZINC000414767554 1028698359 /nfs/dbraw/zinc/69/83/59/1028698359.db2.gz GLUGFKNHMQGBBM-UHFFFAOYSA-N 2 1 343.858 3.514 20 0 EHADMP C[N@@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC([NH3+])C1 ZINC000414767554 1028698371 /nfs/dbraw/zinc/69/83/71/1028698371.db2.gz GLUGFKNHMQGBBM-UHFFFAOYSA-N 2 1 343.858 3.514 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000246844601 1028701266 /nfs/dbraw/zinc/70/12/66/1028701266.db2.gz CHSRIQPNZVNLDC-IAGOWNOFSA-N 2 1 326.488 3.503 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246916916 1028711218 /nfs/dbraw/zinc/71/12/18/1028711218.db2.gz GCFFINKIFWJEED-QZTJIDSGSA-N 2 1 343.515 3.584 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246916916 1028711238 /nfs/dbraw/zinc/71/12/38/1028711238.db2.gz GCFFINKIFWJEED-QZTJIDSGSA-N 2 1 343.515 3.584 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](c3ccco3)N(C)C)CC2)C1 ZINC000248066481 1028843178 /nfs/dbraw/zinc/84/31/78/1028843178.db2.gz ZPXCFVSPXQTZFE-BHIYHBOVSA-N 2 1 333.520 3.515 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H](c3ccco3)[NH+](C)C)CC2)C1 ZINC000248066481 1028843181 /nfs/dbraw/zinc/84/31/81/1028843181.db2.gz ZPXCFVSPXQTZFE-BHIYHBOVSA-N 2 1 333.520 3.515 20 0 EHADMP CCN(CC[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000524082022 1028845102 /nfs/dbraw/zinc/84/51/02/1028845102.db2.gz ODTYEJLXDZJWJR-FPOVZHCZSA-N 2 1 329.532 3.630 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176069 1028856198 /nfs/dbraw/zinc/85/61/98/1028856198.db2.gz VOWFPHHCWXJSTM-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176069 1028856215 /nfs/dbraw/zinc/85/62/15/1028856215.db2.gz VOWFPHHCWXJSTM-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176069 1028856234 /nfs/dbraw/zinc/85/62/34/1028856234.db2.gz VOWFPHHCWXJSTM-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000248176069 1028856254 /nfs/dbraw/zinc/85/62/54/1028856254.db2.gz VOWFPHHCWXJSTM-CRAIPNDOSA-N 2 1 329.875 3.804 20 0 EHADMP C[N@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C1CC([NH3+])C1 ZINC000414777897 1028874847 /nfs/dbraw/zinc/87/48/47/1028874847.db2.gz PCXPTKYJGRVNFJ-UHFFFAOYSA-N 2 1 346.906 3.880 20 0 EHADMP C[N@@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C1CC([NH3+])C1 ZINC000414777897 1028874861 /nfs/dbraw/zinc/87/48/61/1028874861.db2.gz PCXPTKYJGRVNFJ-UHFFFAOYSA-N 2 1 346.906 3.880 20 0 EHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248459180 1028912710 /nfs/dbraw/zinc/91/27/10/1028912710.db2.gz VMRWEYNKSLJAFG-YADHBBJMSA-N 2 1 338.495 3.740 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1coc(-c3cccc(Cl)c3)n1)CC[NH2+]CC2 ZINC000424298279 1028938094 /nfs/dbraw/zinc/93/80/94/1028938094.db2.gz UGQMRSDUZPXVJE-AWEZNQCLSA-N 2 1 345.874 3.959 20 0 EHADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000245626029 1028938437 /nfs/dbraw/zinc/93/84/37/1028938437.db2.gz STKHNHQRONMUNT-CABCVRRESA-N 2 1 339.549 3.556 20 0 EHADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000245626029 1028938442 /nfs/dbraw/zinc/93/84/42/1028938442.db2.gz STKHNHQRONMUNT-CABCVRRESA-N 2 1 339.549 3.556 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(F)c(Br)c1)CC[NH2+]CC2 ZINC000424300532 1028941925 /nfs/dbraw/zinc/94/19/25/1028941925.db2.gz WPHQTCBLMGXCQY-LBPRGKRZSA-N 2 1 341.268 3.552 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245630132 1028943389 /nfs/dbraw/zinc/94/33/89/1028943389.db2.gz SDVFECCXPKVTHJ-XUVXKRRUSA-N 2 1 328.500 3.576 20 0 EHADMP CCOC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000249161568 1028992264 /nfs/dbraw/zinc/99/22/64/1028992264.db2.gz ZXXFLIBFFUEHGT-NPRSCZTNSA-N 2 1 342.527 3.692 20 0 EHADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000245689382 1029010047 /nfs/dbraw/zinc/01/00/47/1029010047.db2.gz KBWJOKMVOUEWCU-IYWMVGAKSA-N 2 1 342.508 3.567 20 0 EHADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(NC(=O)c2ccccc2)c1 ZINC000424340850 1029019370 /nfs/dbraw/zinc/01/93/70/1029019370.db2.gz YZRZLMBMKWWTTD-CDHQVMDDSA-N 2 1 337.467 3.859 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)s2)cc1 ZINC000414785084 1029041845 /nfs/dbraw/zinc/04/18/45/1029041845.db2.gz SDLIPAQJEDKKEB-ROUUACIJSA-N 2 1 341.524 3.940 20 0 EHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414786801 1029042901 /nfs/dbraw/zinc/04/29/01/1029042901.db2.gz UWKUINVGWNZOQU-KGLIPLIRSA-N 2 1 344.833 3.763 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000271898337 1029219555 /nfs/dbraw/zinc/21/95/55/1029219555.db2.gz XSJISWFKOLNZBS-GFCCVEGCSA-N 2 1 333.386 3.677 20 0 EHADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000414804942 1029224693 /nfs/dbraw/zinc/22/46/93/1029224693.db2.gz FPVZOJOQGITBAM-NSHDSACASA-N 2 1 337.236 3.898 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cccn3C)cc2)C1 ZINC000161668454 1029261259 /nfs/dbraw/zinc/26/12/59/1029261259.db2.gz GEOSMBRPGVGTSJ-HDICACEKSA-N 2 1 325.500 3.793 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(C)c2)[C@@H](C)C1 ZINC000245767296 1029266807 /nfs/dbraw/zinc/26/68/07/1029266807.db2.gz RANUWUBOTXBMLR-QFBILLFUSA-N 2 1 326.488 3.547 20 0 EHADMP Brc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075696 1029277549 /nfs/dbraw/zinc/27/75/49/1029277549.db2.gz BLTUOQMILIVULC-YJBOKZPZSA-N 2 1 349.316 3.898 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164178 1029340846 /nfs/dbraw/zinc/34/08/46/1029340846.db2.gz GNFISHKJWROWOJ-XLIONFOSSA-N 2 1 348.494 3.574 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272197898 1029354664 /nfs/dbraw/zinc/35/46/64/1029354664.db2.gz NVNWABGEEAFLAL-CRAIPNDOSA-N 2 1 329.875 3.735 20 0 EHADMP Cc1nccn1CCC[N@H+](C)Cc1csc(Br)c1 ZINC000125003824 1029391787 /nfs/dbraw/zinc/39/17/87/1029391787.db2.gz FKWAMYSATAPQJG-UHFFFAOYSA-N 2 1 328.279 3.538 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(Br)c1 ZINC000125003824 1029391800 /nfs/dbraw/zinc/39/18/00/1029391800.db2.gz FKWAMYSATAPQJG-UHFFFAOYSA-N 2 1 328.279 3.538 20 0 EHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000272343151 1029424420 /nfs/dbraw/zinc/42/44/20/1029424420.db2.gz BYOOFACJCPZCDI-NHCUHLMSSA-N 2 1 346.490 3.588 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CCO1 ZINC001168087196 1029461391 /nfs/dbraw/zinc/46/13/91/1029461391.db2.gz KECZDZJMTRYDMR-MEZGBDMJSA-N 2 1 328.500 3.682 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272504190 1029486531 /nfs/dbraw/zinc/48/65/31/1029486531.db2.gz ODWRIFOHFDUVDT-CRAIPNDOSA-N 2 1 327.472 3.546 20 0 EHADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272504190 1029486541 /nfs/dbraw/zinc/48/65/41/1029486541.db2.gz ODWRIFOHFDUVDT-CRAIPNDOSA-N 2 1 327.472 3.546 20 0 EHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000261953087 1029538429 /nfs/dbraw/zinc/53/84/29/1029538429.db2.gz OHROVDMKOSQHRQ-GJZGRUSLSA-N 2 1 330.422 3.766 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414841048 1029545174 /nfs/dbraw/zinc/54/51/74/1029545174.db2.gz YUKWHQGOMZYAHB-CYBMUJFWSA-N 2 1 327.453 3.646 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648788 1029550002 /nfs/dbraw/zinc/55/00/02/1029550002.db2.gz JSHVXVNUFFRPMS-KNQAVFIVSA-N 3 1 343.559 3.609 20 0 EHADMP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272648788 1029550016 /nfs/dbraw/zinc/55/00/16/1029550016.db2.gz JSHVXVNUFFRPMS-KNQAVFIVSA-N 2 1 343.559 3.609 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669954 1029559045 /nfs/dbraw/zinc/55/90/45/1029559045.db2.gz PDQGERRGBDWZPW-ILWGZMRPSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669954 1029559052 /nfs/dbraw/zinc/55/90/52/1029559052.db2.gz PDQGERRGBDWZPW-ILWGZMRPSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669954 1029559059 /nfs/dbraw/zinc/55/90/59/1029559059.db2.gz PDQGERRGBDWZPW-ILWGZMRPSA-N 2 1 343.559 3.607 20 0 EHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669954 1029559067 /nfs/dbraw/zinc/55/90/67/1029559067.db2.gz PDQGERRGBDWZPW-ILWGZMRPSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272669954 1029559075 /nfs/dbraw/zinc/55/90/75/1029559075.db2.gz PDQGERRGBDWZPW-ILWGZMRPSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272669954 1029559082 /nfs/dbraw/zinc/55/90/82/1029559082.db2.gz PDQGERRGBDWZPW-ILWGZMRPSA-N 3 1 343.559 3.607 20 0 EHADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272669954 1029559091 /nfs/dbraw/zinc/55/90/91/1029559091.db2.gz PDQGERRGBDWZPW-ILWGZMRPSA-N 3 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+]CC1(CCO)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272679895 1029564527 /nfs/dbraw/zinc/56/45/27/1029564527.db2.gz SAKHWFTUOMCHMK-PZJWPPBQSA-N 2 1 344.543 3.820 20 0 EHADMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000729815023 1029567767 /nfs/dbraw/zinc/56/77/67/1029567767.db2.gz MMUKRCCQFQSXHO-HDICACEKSA-N 2 1 340.552 3.545 20 0 EHADMP C[C@@H]1C[N@@H+](CCCCCC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000729815023 1029567779 /nfs/dbraw/zinc/56/77/79/1029567779.db2.gz MMUKRCCQFQSXHO-HDICACEKSA-N 2 1 340.552 3.545 20 0 EHADMP C[C@@H]1C[N@H+](CCCCCC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000729815023 1029567789 /nfs/dbraw/zinc/56/77/89/1029567789.db2.gz MMUKRCCQFQSXHO-HDICACEKSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCCC[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000729814924 1029567921 /nfs/dbraw/zinc/56/79/21/1029567921.db2.gz KPHIHSRDNMFIDN-IYWMVGAKSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1CO[C@@H](C)C[NH+]1CCCCCC[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000729814924 1029567930 /nfs/dbraw/zinc/56/79/30/1029567930.db2.gz KPHIHSRDNMFIDN-IYWMVGAKSA-N 2 1 340.552 3.545 20 0 EHADMP CC[C@@H]1CO[C@@H](C)C[NH+]1CCCCCC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000729814924 1029567937 /nfs/dbraw/zinc/56/79/37/1029567937.db2.gz KPHIHSRDNMFIDN-IYWMVGAKSA-N 2 1 340.552 3.545 20 0 EHADMP CC(C)C[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272696347 1029569834 /nfs/dbraw/zinc/56/98/34/1029569834.db2.gz XEFDYBGRDVUKGJ-HLAWJBBLSA-N 2 1 332.532 3.531 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000246049001 1029602828 /nfs/dbraw/zinc/60/28/28/1029602828.db2.gz PFOHEGRNPHGJDZ-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000246049001 1029602839 /nfs/dbraw/zinc/60/28/39/1029602839.db2.gz PFOHEGRNPHGJDZ-YLJYHZDGSA-N 2 1 340.515 3.893 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125955017 1029639706 /nfs/dbraw/zinc/63/97/06/1029639706.db2.gz QSIOYXAJSOCCFG-GGPKGHCWSA-N 2 1 340.515 3.847 20 0 EHADMP C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508692383 1029746177 /nfs/dbraw/zinc/74/61/77/1029746177.db2.gz VRWCXZZBZWIEGK-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692383 1029746185 /nfs/dbraw/zinc/74/61/85/1029746185.db2.gz VRWCXZZBZWIEGK-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP C[C@@H](N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508692383 1029746196 /nfs/dbraw/zinc/74/61/96/1029746196.db2.gz VRWCXZZBZWIEGK-XAPVIXHLSA-N 2 1 343.559 3.607 20 0 EHADMP CCC(CC)[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508711869 1029788109 /nfs/dbraw/zinc/78/81/09/1029788109.db2.gz BNLIYNKOKFCHFW-BWAGFHJFSA-N 2 1 345.575 3.853 20 0 EHADMP COc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718654 1029792306 /nfs/dbraw/zinc/79/23/06/1029792306.db2.gz OCBTWJDBDAKGPL-GHTZIAJQSA-N 2 1 338.495 3.738 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721436 1029831721 /nfs/dbraw/zinc/83/17/21/1029831721.db2.gz URCZTLBTJHDUDV-TYPHKJRUSA-N 2 1 332.532 3.674 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000635007215 1029933174 /nfs/dbraw/zinc/93/31/74/1029933174.db2.gz AJXFPCRRNCPYOK-OCCSQVGLSA-N 2 1 334.895 3.656 20 0 EHADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224323 1029939980 /nfs/dbraw/zinc/93/99/80/1029939980.db2.gz SFSUOWPSJBEDKG-DENIHFKCSA-N 2 1 337.511 3.905 20 0 EHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ncc(-c2ccccc2)n1C ZINC000635009307 1029965248 /nfs/dbraw/zinc/96/52/48/1029965248.db2.gz GSXSNRZHXSGEHI-WBVHZDCISA-N 2 1 326.488 3.516 20 0 EHADMP CCCCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708439 1030028078 /nfs/dbraw/zinc/02/80/78/1030028078.db2.gz ZNAUNSLJAMQGJE-ZVDOUQERSA-N 2 1 346.515 3.584 20 0 EHADMP c1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657771570 1030150425 /nfs/dbraw/zinc/15/04/25/1030150425.db2.gz DCPOMGKQFUYAPW-QGZVFWFLSA-N 2 1 327.497 3.535 20 0 EHADMP c1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657771570 1030150432 /nfs/dbraw/zinc/15/04/32/1030150432.db2.gz DCPOMGKQFUYAPW-QGZVFWFLSA-N 2 1 327.497 3.535 20 0 EHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722331 1030192580 /nfs/dbraw/zinc/19/25/80/1030192580.db2.gz PTXGAHYIONGVCN-HMXCVIKNSA-N 2 1 346.515 3.726 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc(Br)cc1F ZINC000453404760 1030212117 /nfs/dbraw/zinc/21/21/17/1030212117.db2.gz PTDSGRWJSIIAAX-LLVKDONJSA-N 2 1 344.272 3.508 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000157070256 1030237172 /nfs/dbraw/zinc/23/71/72/1030237172.db2.gz ROPZGWKVXHPWGA-RDJZCZTQSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000157070256 1030237190 /nfs/dbraw/zinc/23/71/90/1030237190.db2.gz ROPZGWKVXHPWGA-RDJZCZTQSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157070256 1030237202 /nfs/dbraw/zinc/23/72/02/1030237202.db2.gz ROPZGWKVXHPWGA-RDJZCZTQSA-N 2 1 344.421 3.550 20 0 EHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000157070256 1030237217 /nfs/dbraw/zinc/23/72/17/1030237217.db2.gz ROPZGWKVXHPWGA-RDJZCZTQSA-N 2 1 344.421 3.550 20 0 EHADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453397282 1030249680 /nfs/dbraw/zinc/24/96/80/1030249680.db2.gz IAOFUNHVLXKLAM-YMQHIKHWSA-N 2 1 328.500 3.729 20 0 EHADMP C[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000159602798 1030286535 /nfs/dbraw/zinc/28/65/35/1030286535.db2.gz JUTQVQDUOZBAEN-WMZOPIPTSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000159602798 1030286549 /nfs/dbraw/zinc/28/65/49/1030286549.db2.gz JUTQVQDUOZBAEN-WMZOPIPTSA-N 2 1 329.532 3.548 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000453595654 1030355428 /nfs/dbraw/zinc/35/54/28/1030355428.db2.gz KJKMHODFPWMSHX-UHFFFAOYSA-N 2 1 332.822 3.905 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)s2)C1 ZINC000151104790 1030475640 /nfs/dbraw/zinc/47/56/40/1030475640.db2.gz IFGGBEOJOAGZJU-NWDGAFQWSA-N 2 1 331.323 3.893 20 0 EHADMP Cc1ccn2cc(CN[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)nc2c1 ZINC000482494227 1030478522 /nfs/dbraw/zinc/47/85/22/1030478522.db2.gz CPEXHCITEMHTIS-NQIIRXRSSA-N 2 1 348.494 3.643 20 0 EHADMP FC(F)(F)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301511 1030485355 /nfs/dbraw/zinc/48/53/55/1030485355.db2.gz LTWJLCYSAAWNIE-UHFFFAOYSA-N 2 1 326.406 3.927 20 0 EHADMP CCCCc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000482559449 1030532704 /nfs/dbraw/zinc/53/27/04/1030532704.db2.gz XSETTYIABZJYPD-LJQANCHMSA-N 2 1 331.548 3.707 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@H](C)C1 ZINC000093638853 1030643674 /nfs/dbraw/zinc/64/36/74/1030643674.db2.gz WTJQACIAHYSPCY-CXAGYDPISA-N 2 1 348.441 3.517 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@H](C)C1 ZINC000093638853 1030643677 /nfs/dbraw/zinc/64/36/77/1030643677.db2.gz WTJQACIAHYSPCY-CXAGYDPISA-N 2 1 348.441 3.517 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)[C@H](C)C1 ZINC000093638853 1030643692 /nfs/dbraw/zinc/64/36/92/1030643692.db2.gz WTJQACIAHYSPCY-CXAGYDPISA-N 2 1 348.441 3.517 20 0 EHADMP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000482880445 1030788697 /nfs/dbraw/zinc/78/86/97/1030788697.db2.gz AIKNOQWTCWUWGR-VQIMIIECSA-N 2 1 340.467 3.917 20 0 EHADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000537650423 1030799559 /nfs/dbraw/zinc/79/95/59/1030799559.db2.gz DIBQDILGSHLUNT-XQRVVYSFSA-N 2 1 348.506 3.909 20 0 EHADMP Clc1cccc([C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000668192621 1030905267 /nfs/dbraw/zinc/90/52/67/1030905267.db2.gz IGWQZVORULZZNO-MRXNPFEDSA-N 2 1 338.842 3.910 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)[C@@H](C)C1 ZINC000483121039 1030967355 /nfs/dbraw/zinc/96/73/55/1030967355.db2.gz PHIPBQJXSJRERI-DLBZAZTESA-N 2 1 338.561 3.752 20 0 EHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)ccn1 ZINC000527668252 1031097451 /nfs/dbraw/zinc/09/74/51/1031097451.db2.gz VBMGFUKZSWXVQB-UHFFFAOYSA-N 2 1 335.451 3.905 20 0 EHADMP c1csc(CN2CCC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)c1 ZINC000583917267 1031133216 /nfs/dbraw/zinc/13/32/16/1031133216.db2.gz MMEOHDXHVSMMTL-INIZCTEOSA-N 2 1 341.524 3.634 20 0 EHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)c1 ZINC000583917267 1031133230 /nfs/dbraw/zinc/13/32/30/1031133230.db2.gz MMEOHDXHVSMMTL-INIZCTEOSA-N 2 1 341.524 3.634 20 0 EHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)c1 ZINC000583917267 1031133241 /nfs/dbraw/zinc/13/32/41/1031133241.db2.gz MMEOHDXHVSMMTL-INIZCTEOSA-N 2 1 341.524 3.634 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000476999646 1031167293 /nfs/dbraw/zinc/16/72/93/1031167293.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000476999646 1031167301 /nfs/dbraw/zinc/16/73/01/1031167301.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 3 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000476999646 1031167310 /nfs/dbraw/zinc/16/73/10/1031167310.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000476999646 1031167322 /nfs/dbraw/zinc/16/73/22/1031167322.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000476999646 1031167330 /nfs/dbraw/zinc/16/73/30/1031167330.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000476999646 1031167336 /nfs/dbraw/zinc/16/73/36/1031167336.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000476999646 1031167346 /nfs/dbraw/zinc/16/73/46/1031167346.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000476999646 1031167352 /nfs/dbraw/zinc/16/73/52/1031167352.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000476999646 1031167362 /nfs/dbraw/zinc/16/73/62/1031167362.db2.gz WLSDJTQXHITEJT-TZIWHRDSSA-N 2 1 335.580 3.837 20 0 EHADMP c1ccc(COCCC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903140209 1031249435 /nfs/dbraw/zinc/24/94/35/1031249435.db2.gz AOGXUWBPVNBWPS-VCSGRIEYSA-N 2 1 340.511 3.873 20 0 EHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H]3CCSC3)cc2)CC1 ZINC000278534675 1031274291 /nfs/dbraw/zinc/27/42/91/1031274291.db2.gz SHHUTCTXVTUMFD-KRWDZBQOSA-N 2 1 333.545 3.630 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC)c(OCC)c2)CC1 ZINC000177050910 1031480904 /nfs/dbraw/zinc/48/09/04/1031480904.db2.gz CIGQTFMFMYCJJG-UHFFFAOYSA-N 2 1 334.504 3.790 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC)c(OCC)c2)CC1 ZINC000177050910 1031480913 /nfs/dbraw/zinc/48/09/13/1031480913.db2.gz CIGQTFMFMYCJJG-UHFFFAOYSA-N 2 1 334.504 3.790 20 0 EHADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666998191 1031482820 /nfs/dbraw/zinc/48/28/20/1031482820.db2.gz HKIJFYOSKDCSGF-GFCCVEGCSA-N 2 1 330.806 3.706 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168102204 1031637512 /nfs/dbraw/zinc/63/75/12/1031637512.db2.gz OKAKQOCZNUHYJV-UDTPNQRGSA-N 2 1 336.907 3.979 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000584081092 1031674332 /nfs/dbraw/zinc/67/43/32/1031674332.db2.gz HSNDLRNOPSYCPM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(Br)c1 ZINC000584081092 1031674338 /nfs/dbraw/zinc/67/43/38/1031674338.db2.gz HSNDLRNOPSYCPM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000584081092 1031674345 /nfs/dbraw/zinc/67/43/45/1031674345.db2.gz HSNDLRNOPSYCPM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000584081092 1031674361 /nfs/dbraw/zinc/67/43/61/1031674361.db2.gz HSNDLRNOPSYCPM-WBVHZDCISA-N 2 1 337.305 3.674 20 0 EHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]([NH3+])CC4CC4)n3)cc2)CC1 ZINC000904101274 1031726627 /nfs/dbraw/zinc/72/66/27/1031726627.db2.gz NETUCZWZLJWQNE-GOSISDBHSA-N 2 1 340.471 3.768 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000536652095 1032038050 /nfs/dbraw/zinc/03/80/50/1032038050.db2.gz FZNNCLIXJYGOGZ-UHFFFAOYSA-N 2 1 330.476 3.530 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000537952524 1032037975 /nfs/dbraw/zinc/03/79/75/1032037975.db2.gz JTAMDWSZNKRLEI-IAGOWNOFSA-N 2 1 343.515 3.590 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000537961316 1032049290 /nfs/dbraw/zinc/04/92/90/1032049290.db2.gz GQZKKCPWQSIXIN-GOEBONIOSA-N 2 1 346.462 3.782 20 0 EHADMP C[C@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(C)(C)C ZINC000685442006 1033332576 /nfs/dbraw/zinc/33/25/76/1033332576.db2.gz XGOQTXDZMJCZPF-TZIWHRDSSA-N 2 1 343.559 3.561 20 0 EHADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685459925 1033353118 /nfs/dbraw/zinc/35/31/18/1033353118.db2.gz BIPSDBSTGCFJJI-UHFFFAOYSA-N 2 1 340.471 3.607 20 0 EHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685459925 1033353129 /nfs/dbraw/zinc/35/31/29/1033353129.db2.gz BIPSDBSTGCFJJI-UHFFFAOYSA-N 2 1 340.471 3.607 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000548849749 1033618462 /nfs/dbraw/zinc/61/84/62/1033618462.db2.gz NHIIYROGHZKNAR-UHFFFAOYSA-N 2 1 345.575 3.832 20 0 EHADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621626 1033742779 /nfs/dbraw/zinc/74/27/79/1033742779.db2.gz MNCQOCZXMKAITA-BHDDXSALSA-N 2 1 343.559 3.922 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CCN1Cc1ccccc1 ZINC000574986961 1033752552 /nfs/dbraw/zinc/75/25/52/1033752552.db2.gz VLPRFHBQGWVPFL-PMXSJFBMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000574986961 1033752567 /nfs/dbraw/zinc/75/25/67/1033752567.db2.gz VLPRFHBQGWVPFL-PMXSJFBMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000574986961 1033752583 /nfs/dbraw/zinc/75/25/83/1033752583.db2.gz VLPRFHBQGWVPFL-PMXSJFBMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986961 1033752597 /nfs/dbraw/zinc/75/25/97/1033752597.db2.gz VLPRFHBQGWVPFL-PMXSJFBMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CC[NH+]1Cc1ccccc1 ZINC000574986961 1033752609 /nfs/dbraw/zinc/75/26/09/1033752609.db2.gz VLPRFHBQGWVPFL-PMXSJFBMSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c2ccccc21 ZINC000550666149 1033835473 /nfs/dbraw/zinc/83/54/73/1033835473.db2.gz WGJSXVBLQNDYAK-SJORKVTESA-N 2 1 344.474 3.722 20 0 EHADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019628 1033846664 /nfs/dbraw/zinc/84/66/64/1033846664.db2.gz SXJJNJMBIRDHNR-VQTJNVASSA-N 2 1 338.499 3.610 20 0 EHADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019628 1033846675 /nfs/dbraw/zinc/84/66/75/1033846675.db2.gz SXJJNJMBIRDHNR-VQTJNVASSA-N 2 1 338.499 3.610 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168406554 1033848180 /nfs/dbraw/zinc/84/81/80/1033848180.db2.gz HIXHYCUMCPDDEU-FQEVSTJZSA-N 2 1 339.458 3.645 20 0 EHADMP Clc1cccc(CC2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655774290 1033877887 /nfs/dbraw/zinc/87/78/87/1033877887.db2.gz SCUDSXAIDPDGFZ-IBGZPJMESA-N 2 1 348.918 3.648 20 0 EHADMP C[NH+](C)C1CCC([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001168311880 1033903700 /nfs/dbraw/zinc/90/37/00/1033903700.db2.gz CYTJVKVDMSFLBH-UHFFFAOYSA-N 3 1 329.532 3.504 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1F ZINC000658138374 1034001606 /nfs/dbraw/zinc/00/16/06/1034001606.db2.gz MNZLJORESVYDEX-RXVVDRJESA-N 2 1 342.458 3.633 20 0 EHADMP COc1ccc([C@H]2CSCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168323693 1034118775 /nfs/dbraw/zinc/11/87/75/1034118775.db2.gz AYTHTYUOLNWTPQ-FAFZWHIHSA-N 2 1 334.529 3.658 20 0 EHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(C)cc2OCC)[C@H](C)C1 ZINC000119238937 1034119145 /nfs/dbraw/zinc/11/91/45/1034119145.db2.gz JGYODJZOKITTTN-QUCCMNQESA-N 2 1 348.531 3.620 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC)[C@H](C)C1 ZINC000119238937 1034119162 /nfs/dbraw/zinc/11/91/62/1034119162.db2.gz JGYODJZOKITTTN-QUCCMNQESA-N 2 1 348.531 3.620 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(F)cn2)cc1 ZINC000529533261 1034119137 /nfs/dbraw/zinc/11/91/37/1034119137.db2.gz KTOAHQUFKPGQDB-INIZCTEOSA-N 2 1 327.447 3.885 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H](C)C1 ZINC000658264280 1034127771 /nfs/dbraw/zinc/12/77/71/1034127771.db2.gz FFHLWKBQNAPQPS-RZZCCWGQSA-N 2 1 344.490 3.681 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000658269624 1034147474 /nfs/dbraw/zinc/14/74/74/1034147474.db2.gz WYLNNQTXXXUIJV-UZLBHIALSA-N 2 1 344.547 3.820 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000421826015 1034230217 /nfs/dbraw/zinc/23/02/17/1034230217.db2.gz QOSUGYNCJIIAGU-NRFANRHFSA-N 2 1 337.511 3.959 20 0 EHADMP c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000421854487 1034275024 /nfs/dbraw/zinc/27/50/24/1034275024.db2.gz LORSQWFLZHMPDV-AZUAARDMSA-N 2 1 327.516 3.716 20 0 EHADMP Cc1sc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000227838233 1034293996 /nfs/dbraw/zinc/29/39/96/1034293996.db2.gz DJWGPYHINCHPOY-YHWZYXNKSA-N 2 1 343.334 3.924 20 0 EHADMP C[C@H]1[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000310253726 1034302799 /nfs/dbraw/zinc/30/27/99/1034302799.db2.gz XKHCTAKZMOYMPZ-LPHOPBHVSA-N 2 1 329.532 3.548 20 0 EHADMP C[C@H]1[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000310253726 1034302811 /nfs/dbraw/zinc/30/28/11/1034302811.db2.gz XKHCTAKZMOYMPZ-LPHOPBHVSA-N 2 1 329.532 3.548 20 0 EHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2c1 ZINC000450430062 1034318476 /nfs/dbraw/zinc/31/84/76/1034318476.db2.gz OVIMSVWIEZNBHD-YWZLYKJASA-N 2 1 325.456 3.552 20 0 EHADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C(C)(C)C ZINC000604770975 1034487652 /nfs/dbraw/zinc/48/76/52/1034487652.db2.gz PRIZTIIYBDOMGI-SFHVURJKSA-N 2 1 348.922 3.982 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309517 1034490970 /nfs/dbraw/zinc/49/09/70/1034490970.db2.gz OVPXMYSRBMTNOM-NIKGAXFTSA-N 2 1 327.472 3.820 20 0 EHADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309517 1034490977 /nfs/dbraw/zinc/49/09/77/1034490977.db2.gz OVPXMYSRBMTNOM-NIKGAXFTSA-N 2 1 327.472 3.820 20 0 EHADMP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000601514677 1034565013 /nfs/dbraw/zinc/56/50/13/1034565013.db2.gz WOZXSJJYPJWXGQ-ZDUSSCGKSA-N 2 1 348.288 3.561 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000601514677 1034565027 /nfs/dbraw/zinc/56/50/27/1034565027.db2.gz WOZXSJJYPJWXGQ-ZDUSSCGKSA-N 2 1 348.288 3.561 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000525709586 1034839480 /nfs/dbraw/zinc/83/94/80/1034839480.db2.gz RENDBEFFBJBFAN-DZGCQCFKSA-N 2 1 340.895 3.710 20 0 EHADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000525709586 1034839494 /nfs/dbraw/zinc/83/94/94/1034839494.db2.gz RENDBEFFBJBFAN-DZGCQCFKSA-N 2 1 340.895 3.710 20 0 EHADMP COCc1ccccc1/C=C(\C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000511416564 1035379290 /nfs/dbraw/zinc/37/92/90/1035379290.db2.gz TWESKFYNMVEGRG-WIGNEUMVSA-N 2 1 328.500 3.841 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431737988 1035399283 /nfs/dbraw/zinc/39/92/83/1035399283.db2.gz HQVWOTMCBMXRTI-UYAOXDASSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431737988 1035399287 /nfs/dbraw/zinc/39/92/87/1035399287.db2.gz HQVWOTMCBMXRTI-UYAOXDASSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431737988 1035399293 /nfs/dbraw/zinc/39/92/93/1035399293.db2.gz HQVWOTMCBMXRTI-UYAOXDASSA-N 2 1 349.563 3.554 20 0 EHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000304618857 1035496985 /nfs/dbraw/zinc/49/69/85/1035496985.db2.gz VMPFELMBDRFJLC-INIZCTEOSA-N 2 1 326.440 3.588 20 0 EHADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178035709 1035570667 /nfs/dbraw/zinc/57/06/67/1035570667.db2.gz VDRWWRJJYGMTRV-QKLQHJQFSA-N 2 1 346.515 3.552 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCSCC2)cc1F ZINC000187059388 1035748575 /nfs/dbraw/zinc/74/85/75/1035748575.db2.gz BLFOYSAADYMCIP-ZDUSSCGKSA-N 2 1 333.476 3.941 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000540962317 1035838930 /nfs/dbraw/zinc/83/89/30/1035838930.db2.gz DYBWUDRLFBPQQB-FBBABVLZSA-N 2 1 336.479 3.929 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000540962317 1035838948 /nfs/dbraw/zinc/83/89/48/1035838948.db2.gz DYBWUDRLFBPQQB-FBBABVLZSA-N 2 1 336.479 3.929 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000540962318 1035840068 /nfs/dbraw/zinc/84/00/68/1035840068.db2.gz DYBWUDRLFBPQQB-HFSMHLIXSA-N 2 1 336.479 3.929 20 0 EHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000540962318 1035840091 /nfs/dbraw/zinc/84/00/91/1035840091.db2.gz DYBWUDRLFBPQQB-HFSMHLIXSA-N 2 1 336.479 3.929 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)CC3 ZINC000491316450 1036231483 /nfs/dbraw/zinc/23/14/83/1036231483.db2.gz LEYWLPOEJXNMIQ-MRXNPFEDSA-N 2 1 325.500 3.798 20 0 EHADMP CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414247612 1036252149 /nfs/dbraw/zinc/25/21/49/1036252149.db2.gz UIJBXDFIZJRUTQ-UHFFFAOYSA-N 2 1 331.685 3.676 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000539506409 1036827498 /nfs/dbraw/zinc/82/74/98/1036827498.db2.gz FEMIHAOMFVCQMV-BLLLJJGKSA-N 2 1 335.289 3.849 20 0 EHADMP CS[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](SC)C3)c2)C1 ZINC000590750056 1037027921 /nfs/dbraw/zinc/02/79/21/1037027921.db2.gz UANZWIMXYDPLBY-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CS[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](SC)C3)c2)C1 ZINC000590750056 1037027938 /nfs/dbraw/zinc/02/79/38/1037027938.db2.gz UANZWIMXYDPLBY-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP CS[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](SC)C3)c2)C1 ZINC000590750056 1037027956 /nfs/dbraw/zinc/02/79/56/1037027956.db2.gz UANZWIMXYDPLBY-HDICACEKSA-N 2 1 336.570 3.561 20 0 EHADMP FC(F)Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545673 1037116392 /nfs/dbraw/zinc/11/63/92/1037116392.db2.gz BPQMESXPUGYHEM-CHWSQXEVSA-N 2 1 344.833 3.763 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823423 1037245541 /nfs/dbraw/zinc/24/55/41/1037245541.db2.gz BGQXBDNPNMNLPW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823423 1037245557 /nfs/dbraw/zinc/24/55/57/1037245557.db2.gz BGQXBDNPNMNLPW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823423 1037245564 /nfs/dbraw/zinc/24/55/64/1037245564.db2.gz BGQXBDNPNMNLPW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539823423 1037245577 /nfs/dbraw/zinc/24/55/77/1037245577.db2.gz BGQXBDNPNMNLPW-OAHLLOKOSA-N 2 1 330.394 3.749 20 0 EHADMP C[C@H](O)[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549085618 1037272228 /nfs/dbraw/zinc/27/22/28/1037272228.db2.gz CNENCJQOVBXUEN-FTRZADEDSA-N 2 1 336.907 3.613 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000539852520 1037297339 /nfs/dbraw/zinc/29/73/39/1037297339.db2.gz UFLKYTJAMLPPFM-VQTJNVASSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000539852520 1037297355 /nfs/dbraw/zinc/29/73/55/1037297355.db2.gz UFLKYTJAMLPPFM-VQTJNVASSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000539852520 1037297362 /nfs/dbraw/zinc/29/73/62/1037297362.db2.gz UFLKYTJAMLPPFM-VQTJNVASSA-N 2 1 330.516 3.503 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000539852519 1037297423 /nfs/dbraw/zinc/29/74/23/1037297423.db2.gz UFLKYTJAMLPPFM-UXHICEINSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000539852519 1037297438 /nfs/dbraw/zinc/29/74/38/1037297438.db2.gz UFLKYTJAMLPPFM-UXHICEINSA-N 2 1 330.516 3.503 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000539852519 1037297449 /nfs/dbraw/zinc/29/74/49/1037297449.db2.gz UFLKYTJAMLPPFM-UXHICEINSA-N 2 1 330.516 3.503 20 0 EHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@H]1c1ccccc1 ZINC000423449737 1037406452 /nfs/dbraw/zinc/40/64/52/1037406452.db2.gz RYXMLOVQZOBUKJ-IRLDBZIGSA-N 2 1 335.495 3.970 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)C[C@H]1c1ccccc1 ZINC000423449737 1037406467 /nfs/dbraw/zinc/40/64/67/1037406467.db2.gz RYXMLOVQZOBUKJ-IRLDBZIGSA-N 2 1 335.495 3.970 20 0 EHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)C2 ZINC000462796686 1037412205 /nfs/dbraw/zinc/41/22/05/1037412205.db2.gz UYCMCEIRWJOWLX-KSEOMHKRSA-N 2 1 342.527 3.620 20 0 EHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)C2 ZINC000462796686 1037412219 /nfs/dbraw/zinc/41/22/19/1037412219.db2.gz UYCMCEIRWJOWLX-KSEOMHKRSA-N 2 1 342.527 3.620 20 0 EHADMP C[C@@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[NH+](C)C ZINC000491596480 1037577889 /nfs/dbraw/zinc/57/78/89/1037577889.db2.gz KTNJYRKIDJAVJJ-NSHDSACASA-N 2 1 329.271 3.557 20 0 EHADMP Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000573498401 1037588316 /nfs/dbraw/zinc/58/83/16/1037588316.db2.gz DIXHVOBARVUYQL-HTAPYJJXSA-N 2 1 336.479 3.603 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000540170733 1037639342 /nfs/dbraw/zinc/63/93/42/1037639342.db2.gz VJCAUEPLLOTPGQ-CEXWTWQISA-N 2 1 332.532 3.832 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082405 1037726598 /nfs/dbraw/zinc/72/65/98/1037726598.db2.gz NGTGRRDGJPABBZ-YLJYHZDGSA-N 2 1 342.458 3.847 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082405 1037726618 /nfs/dbraw/zinc/72/66/18/1037726618.db2.gz NGTGRRDGJPABBZ-YLJYHZDGSA-N 2 1 342.458 3.847 20 0 EHADMP Fc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463083706 1037757299 /nfs/dbraw/zinc/75/72/99/1037757299.db2.gz HLQYDUORVDPRGC-UHFFFAOYSA-N 2 1 342.458 3.501 20 0 EHADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463129435 1037780148 /nfs/dbraw/zinc/78/01/48/1037780148.db2.gz CBTSXRZGBYLYPD-FPOVZHCZSA-N 2 1 331.548 3.748 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000463119591 1037784841 /nfs/dbraw/zinc/78/48/41/1037784841.db2.gz PJPLGISGYCYQMQ-SJBKTWHCSA-N 2 1 343.559 3.750 20 0 EHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]3Cc3ccccc3)CC2)cc1 ZINC000463206943 1037874885 /nfs/dbraw/zinc/87/48/85/1037874885.db2.gz RFKQPLQVJWNNEB-FYYLOGMGSA-N 2 1 334.507 3.914 20 0 EHADMP CCOCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130307 1037933445 /nfs/dbraw/zinc/93/34/45/1037933445.db2.gz CQDHYSPZQYOSQZ-PCCBWWKXSA-N 2 1 330.516 3.693 20 0 EHADMP CSCC1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000592403627 1037944001 /nfs/dbraw/zinc/94/40/01/1037944001.db2.gz RHNVAWMAWBKXNJ-MLFFRYNPSA-N 2 1 332.557 3.843 20 0 EHADMP C[C@H]1C[C@H](Nc2c[nH+]ccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463282557 1037966270 /nfs/dbraw/zinc/96/62/70/1037966270.db2.gz NKSRKXAEZYKHLZ-PKOBYXMFSA-N 2 1 347.466 3.732 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000125455372 1038330107 /nfs/dbraw/zinc/33/01/07/1038330107.db2.gz LKGUGEVATBYTIP-QGZVFWFLSA-N 2 1 333.501 3.714 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000125455372 1038330121 /nfs/dbraw/zinc/33/01/21/1038330121.db2.gz LKGUGEVATBYTIP-QGZVFWFLSA-N 2 1 333.501 3.714 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538764076 1038528308 /nfs/dbraw/zinc/52/83/08/1038528308.db2.gz LCHIHPZIKYMYLC-LJQANCHMSA-N 2 1 349.950 3.557 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000538796601 1038532116 /nfs/dbraw/zinc/53/21/16/1038532116.db2.gz MNEYUCDAHPYAPR-YTQUADARSA-N 2 1 336.907 3.640 20 0 EHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000538796601 1038532122 /nfs/dbraw/zinc/53/21/22/1038532122.db2.gz MNEYUCDAHPYAPR-YTQUADARSA-N 2 1 336.907 3.640 20 0 EHADMP CCn1cc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000539042049 1038649245 /nfs/dbraw/zinc/64/92/45/1038649245.db2.gz BVPGONAFUHEOKC-WSTZPKSXSA-N 2 1 340.515 3.854 20 0 EHADMP CCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000149387014 1038653085 /nfs/dbraw/zinc/65/30/85/1038653085.db2.gz DHTBXBYFADRNLP-NSHDSACASA-N 2 1 329.257 3.723 20 0 EHADMP OC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000552063661 1038928891 /nfs/dbraw/zinc/92/88/91/1038928891.db2.gz HPJGIGLXXVOUOD-QHAWAJNXSA-N 2 1 342.527 3.572 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000477856142 1038964886 /nfs/dbraw/zinc/96/48/86/1038964886.db2.gz XOXCQLUSXUMARA-COPCDDAFSA-N 2 1 344.543 3.818 20 0 EHADMP CC1=CC[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000552095626 1038982061 /nfs/dbraw/zinc/98/20/61/1038982061.db2.gz FUHWYTZYRLPIAT-UEXGIBASSA-N 2 1 328.500 3.884 20 0 EHADMP CO[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1(C)C ZINC000552244492 1039109824 /nfs/dbraw/zinc/10/98/24/1039109824.db2.gz BYYXJTFPTTWNDR-NTFDOXNWSA-N 2 1 330.516 3.833 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000552283901 1039136485 /nfs/dbraw/zinc/13/64/85/1039136485.db2.gz MCYNKCAPQAEIFL-MLNNCEHLSA-N 2 1 342.527 3.693 20 0 EHADMP C[C@@H](NCC1([NH+](C)C)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480090998 1039140229 /nfs/dbraw/zinc/14/02/29/1039140229.db2.gz HPBRZPZKFIYQAM-GOSISDBHSA-N 2 1 347.547 3.542 20 0 EHADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518747 1039189856 /nfs/dbraw/zinc/18/98/56/1039189856.db2.gz KXPRTZDVXXNIDQ-PKOFMYQESA-N 2 1 330.541 3.628 20 0 EHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356159 1039206125 /nfs/dbraw/zinc/20/61/25/1039206125.db2.gz GCOMEFMZXNAPJT-NRFANRHFSA-N 2 1 328.500 3.926 20 0 EHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356159 1039206150 /nfs/dbraw/zinc/20/61/50/1039206150.db2.gz GCOMEFMZXNAPJT-NRFANRHFSA-N 2 1 328.500 3.926 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356159 1039206165 /nfs/dbraw/zinc/20/61/65/1039206165.db2.gz GCOMEFMZXNAPJT-NRFANRHFSA-N 2 1 328.500 3.926 20 0 EHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356159 1039206183 /nfs/dbraw/zinc/20/61/83/1039206183.db2.gz GCOMEFMZXNAPJT-NRFANRHFSA-N 2 1 328.500 3.926 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222991 1039323746 /nfs/dbraw/zinc/32/37/46/1039323746.db2.gz IJWWEFZLZZKSCA-GCJKJVERSA-N 2 1 349.522 3.679 20 0 EHADMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000488717843 1039354352 /nfs/dbraw/zinc/35/43/52/1039354352.db2.gz UMWFPNNVPIKOTK-KRWDZBQOSA-N 2 1 346.272 3.529 20 0 EHADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000488717843 1039354359 /nfs/dbraw/zinc/35/43/59/1039354359.db2.gz UMWFPNNVPIKOTK-KRWDZBQOSA-N 2 1 346.272 3.529 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCC4CCOCC4)C3)C2)cc1 ZINC000432822429 1039461447 /nfs/dbraw/zinc/46/14/47/1039461447.db2.gz FQSOHPPAZXFLKV-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCC4CCOCC4)C3)C2)cc1 ZINC000432822429 1039461453 /nfs/dbraw/zinc/46/14/53/1039461453.db2.gz FQSOHPPAZXFLKV-QFIPXVFZSA-N 2 1 342.527 3.791 20 0 EHADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000478556787 1039536570 /nfs/dbraw/zinc/53/65/70/1039536570.db2.gz YVUUYWSXBVVFND-MRXNPFEDSA-N 2 1 344.421 3.938 20 0 EHADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000584714786 1039603333 /nfs/dbraw/zinc/60/33/33/1039603333.db2.gz HIOIKRGTGICUDK-KGLIPLIRSA-N 2 1 327.453 3.773 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584719613 1039621996 /nfs/dbraw/zinc/62/19/96/1039621996.db2.gz KGZBWDARPVKRGB-LJQANCHMSA-N 2 1 330.516 3.572 20 0 EHADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584719613 1039622010 /nfs/dbraw/zinc/62/20/10/1039622010.db2.gz KGZBWDARPVKRGB-LJQANCHMSA-N 2 1 330.516 3.572 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000480601186 1039733945 /nfs/dbraw/zinc/73/39/45/1039733945.db2.gz MBOHLNFSEZIBBK-QMMLZNLJSA-N 2 1 330.516 3.823 20 0 EHADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000417368546 1039738023 /nfs/dbraw/zinc/73/80/23/1039738023.db2.gz OSNYECJAVMNONM-MXEMCNAFSA-N 2 1 330.516 3.833 20 0 EHADMP CC(C)[NH+]1CCC(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152962519 1039825351 /nfs/dbraw/zinc/82/53/51/1039825351.db2.gz JDRTXCWGAZTSSJ-OAQYLSRUSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807405 1039920553 /nfs/dbraw/zinc/92/05/53/1039920553.db2.gz XRKDLKURRCEZDB-UZLBHIALSA-N 2 1 344.886 3.628 20 0 EHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000584807405 1039920569 /nfs/dbraw/zinc/92/05/69/1039920569.db2.gz XRKDLKURRCEZDB-UZLBHIALSA-N 2 1 344.886 3.628 20 0 EHADMP c1ccc(Oc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC001168364478 1039995991 /nfs/dbraw/zinc/99/59/91/1039995991.db2.gz DGKXMXYUXKPGGE-UHFFFAOYSA-N 2 1 337.467 3.838 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000480889367 1040119231 /nfs/dbraw/zinc/11/92/31/1040119231.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480889367 1040119239 /nfs/dbraw/zinc/11/92/39/1040119239.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000480889367 1040119244 /nfs/dbraw/zinc/11/92/44/1040119244.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480889367 1040119251 /nfs/dbraw/zinc/11/92/51/1040119251.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000480889367 1040119260 /nfs/dbraw/zinc/11/92/60/1040119260.db2.gz NDZGCLDTYURZFA-XMSQKQJNSA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905440 1040136466 /nfs/dbraw/zinc/13/64/66/1040136466.db2.gz ZZOJIRRBVDMBEP-SJBKTWHCSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905440 1040136477 /nfs/dbraw/zinc/13/64/77/1040136477.db2.gz ZZOJIRRBVDMBEP-SJBKTWHCSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905440 1040136497 /nfs/dbraw/zinc/13/64/97/1040136497.db2.gz ZZOJIRRBVDMBEP-SJBKTWHCSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000480905440 1040136516 /nfs/dbraw/zinc/13/65/16/1040136516.db2.gz ZZOJIRRBVDMBEP-SJBKTWHCSA-N 2 1 343.559 3.609 20 0 EHADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(OC(F)F)c1 ZINC000480930631 1040182861 /nfs/dbraw/zinc/18/28/61/1040182861.db2.gz FDZWBUJRRCWWQA-UHFFFAOYSA-N 2 1 342.430 3.508 20 0 EHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667785590 1040184412 /nfs/dbraw/zinc/18/44/12/1040184412.db2.gz UAASLULNNJZMAP-MAODMQOUSA-N 2 1 328.500 3.718 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786212 1040191831 /nfs/dbraw/zinc/19/18/31/1040191831.db2.gz LCFXSAZNBBIPLQ-TYCQWZJGSA-N 2 1 328.500 3.576 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189324622 1040220366 /nfs/dbraw/zinc/22/03/66/1040220366.db2.gz ICBUJKKQOOSSHE-UHFFFAOYSA-N 2 1 327.447 3.565 20 0 EHADMP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000490010168 1040304769 /nfs/dbraw/zinc/30/47/69/1040304769.db2.gz AEZHSNCWWHEQJY-LJQANCHMSA-N 2 1 327.497 3.694 20 0 EHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000490010168 1040304779 /nfs/dbraw/zinc/30/47/79/1040304779.db2.gz AEZHSNCWWHEQJY-LJQANCHMSA-N 2 1 327.497 3.694 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000555235883 1040324669 /nfs/dbraw/zinc/32/46/69/1040324669.db2.gz OGRRLCWAYUFDIX-ATHYDTBRSA-N 2 1 344.543 3.907 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000479554523 1040370534 /nfs/dbraw/zinc/37/05/34/1040370534.db2.gz MCOCOJKKEUCPOP-MXEMCNAFSA-N 2 1 344.543 3.959 20 0 EHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500104830 1040516199 /nfs/dbraw/zinc/51/61/99/1040516199.db2.gz QKASALIBXSBZMR-QFIPXVFZSA-N 2 1 345.575 3.664 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc(-c4ccccc4Cl)on3)CC[C@@H]21 ZINC000419226754 1040530241 /nfs/dbraw/zinc/53/02/41/1040530241.db2.gz DUORXZDCOVMOLI-KDOFPFPSSA-N 2 1 345.874 3.911 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500124323 1040570387 /nfs/dbraw/zinc/57/03/87/1040570387.db2.gz NEZIJMPEURHZDG-SFHVURJKSA-N 2 1 346.515 3.806 20 0 EHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000481326715 1040691109 /nfs/dbraw/zinc/69/11/09/1040691109.db2.gz ZDGLWDQBYJGYFO-CABCVRRESA-N 2 1 326.431 3.979 20 0 EHADMP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872728 1040801137 /nfs/dbraw/zinc/80/11/37/1040801137.db2.gz IDBCKIAUHNATPL-HNXFYBAISA-N 2 1 334.529 3.507 20 0 EHADMP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)C2)CO1 ZINC000924872728 1040801145 /nfs/dbraw/zinc/80/11/45/1040801145.db2.gz IDBCKIAUHNATPL-HNXFYBAISA-N 2 1 334.529 3.507 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000311209862 1040901514 /nfs/dbraw/zinc/90/15/14/1040901514.db2.gz KQPJNDXACRWXLR-HXUWFJFHSA-N 2 1 340.515 3.856 20 0 EHADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000311209862 1040901529 /nfs/dbraw/zinc/90/15/29/1040901529.db2.gz KQPJNDXACRWXLR-HXUWFJFHSA-N 2 1 340.515 3.856 20 0 EHADMP CC1(C)CC2(CC([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)C2)CO1 ZINC000924875147 1040948726 /nfs/dbraw/zinc/94/87/26/1040948726.db2.gz WAEDWPYHYQDWIA-ZRZPHAQCSA-N 2 1 348.556 3.897 20 0 EHADMP CC1(C)CC2(CC([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)C2)CO1 ZINC000924875147 1040948736 /nfs/dbraw/zinc/94/87/36/1040948736.db2.gz WAEDWPYHYQDWIA-ZRZPHAQCSA-N 2 1 348.556 3.897 20 0 EHADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)C[C@H](C)O1 ZINC000253603002 1040993485 /nfs/dbraw/zinc/99/34/85/1040993485.db2.gz HPIKMEQMPULLEJ-OKILXGFUSA-N 2 1 333.863 3.799 20 0 EHADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)C[C@H](C)O1 ZINC000253603002 1040993506 /nfs/dbraw/zinc/99/35/06/1040993506.db2.gz HPIKMEQMPULLEJ-OKILXGFUSA-N 2 1 333.863 3.799 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC000668786284 1041011358 /nfs/dbraw/zinc/01/13/58/1041011358.db2.gz YDFRXLGITRYXDY-SFHVURJKSA-N 2 1 346.446 3.628 20 0 EHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC000668786284 1041011374 /nfs/dbraw/zinc/01/13/74/1041011374.db2.gz YDFRXLGITRYXDY-SFHVURJKSA-N 2 1 346.446 3.628 20 0 EHADMP FC(F)OC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411727378 1041087559 /nfs/dbraw/zinc/08/75/59/1041087559.db2.gz NWZYAVOAUVUTLR-GOSISDBHSA-N 2 1 338.442 3.734 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000481570155 1041090733 /nfs/dbraw/zinc/09/07/33/1041090733.db2.gz DRIJAFWTNKTTFB-WMZOPIPTSA-N 2 1 344.499 3.547 20 0 EHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000221809051 1041093299 /nfs/dbraw/zinc/09/32/99/1041093299.db2.gz AVSVKLHFOLVVRP-UHFFFAOYSA-N 2 1 325.294 3.659 20 0 EHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC001212145436 1041168623 /nfs/dbraw/zinc/16/86/23/1041168623.db2.gz UYMHKGJLXRJIBM-ZDUSSCGKSA-N 2 1 340.830 3.697 20 0 EHADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000571164614 1041210501 /nfs/dbraw/zinc/21/05/01/1041210501.db2.gz PXILOOPXUQVCPP-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000571164614 1041210518 /nfs/dbraw/zinc/21/05/18/1041210518.db2.gz PXILOOPXUQVCPP-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000571164614 1041210533 /nfs/dbraw/zinc/21/05/33/1041210533.db2.gz PXILOOPXUQVCPP-HXUWFJFHSA-N 2 1 329.532 3.504 20 0 EHADMP C[N@@H+]1CC=C(CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874920 1041262370 /nfs/dbraw/zinc/26/23/70/1041262370.db2.gz PPBLGPYLBCYQMQ-UHFFFAOYSA-N 2 1 337.345 3.807 20 0 EHADMP CCCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000429803116 1041322287 /nfs/dbraw/zinc/32/22/87/1041322287.db2.gz MBOYKXNHVWJZKH-YLJYHZDGSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000429803116 1041322295 /nfs/dbraw/zinc/32/22/95/1041322295.db2.gz MBOYKXNHVWJZKH-YLJYHZDGSA-N 2 1 334.504 3.516 20 0 EHADMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000429803116 1041322308 /nfs/dbraw/zinc/32/23/08/1041322308.db2.gz MBOYKXNHVWJZKH-YLJYHZDGSA-N 2 1 334.504 3.516 20 0 EHADMP c1[nH+]c(C2CC[NH+](CCOCc3ccccc3)CC2)n2c1CCCC2 ZINC000660436510 1041353015 /nfs/dbraw/zinc/35/30/15/1041353015.db2.gz RLOJGQPYZGKMAH-UHFFFAOYSA-N 2 1 339.483 3.616 20 0 EHADMP C[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729034 1041393766 /nfs/dbraw/zinc/39/37/66/1041393766.db2.gz MQRBSAGDAWJLLG-UGKGYDQZSA-N 2 1 338.495 3.671 20 0 EHADMP C[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390729034 1041393777 /nfs/dbraw/zinc/39/37/77/1041393777.db2.gz MQRBSAGDAWJLLG-UGKGYDQZSA-N 2 1 338.495 3.671 20 0 EHADMP CO[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496366 1041574583 /nfs/dbraw/zinc/57/45/83/1041574583.db2.gz GIZUGBWGIGNJJC-QFBILLFUSA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496366 1041574589 /nfs/dbraw/zinc/57/45/89/1041574589.db2.gz GIZUGBWGIGNJJC-QFBILLFUSA-N 2 1 336.545 3.625 20 0 EHADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)C1CCC1 ZINC000660496366 1041574595 /nfs/dbraw/zinc/57/45/95/1041574595.db2.gz GIZUGBWGIGNJJC-QFBILLFUSA-N 2 1 336.545 3.625 20 0 EHADMP c1ncc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934163 1041876958 /nfs/dbraw/zinc/87/69/58/1041876958.db2.gz LZYUOAXQEZMVPZ-TUFLPTIASA-N 2 1 325.500 3.830 20 0 EHADMP COc1ccc(CN[C@H](Cc2nccn2C)c2ccccc2)c(F)c1 ZINC000651724341 1041966710 /nfs/dbraw/zinc/96/67/10/1041966710.db2.gz RQBQGNMURKZTAQ-LJQANCHMSA-N 2 1 339.414 3.641 20 0 EHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000164460156 1042257452 /nfs/dbraw/zinc/25/74/52/1042257452.db2.gz GOUKFJTXIAMCJU-SFHVURJKSA-N 3 1 347.547 3.542 20 0 EHADMP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287107 1042309797 /nfs/dbraw/zinc/30/97/97/1042309797.db2.gz NPLBCLPFGRCYTE-RZXSNQJFSA-N 2 1 328.500 3.587 20 0 EHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348070 1042406586 /nfs/dbraw/zinc/40/65/86/1042406586.db2.gz TVLAVTZWLLKQQQ-PXMRGAAZSA-N 2 1 340.870 3.758 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662285083 1042655429 /nfs/dbraw/zinc/65/54/29/1042655429.db2.gz WGGOZIOGOITQEJ-IWTFSIHTSA-N 2 1 342.527 3.931 20 0 EHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662285728 1042659504 /nfs/dbraw/zinc/65/95/04/1042659504.db2.gz MPISKTIACHDFEF-DFQSSKMNSA-N 2 1 330.516 3.702 20 0 EHADMP Fc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000662291832 1042662494 /nfs/dbraw/zinc/66/24/94/1042662494.db2.gz AEQWYVVYLUJHON-CQSZACIVSA-N 2 1 342.405 3.639 20 0 EHADMP c1csc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662292356 1042663012 /nfs/dbraw/zinc/66/30/12/1042663012.db2.gz DYAUEHISJAFRDP-OAHLLOKOSA-N 2 1 331.485 3.615 20 0 EHADMP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CC[NH2+]CC2)cc1 ZINC000662306354 1042673993 /nfs/dbraw/zinc/67/39/93/1042673993.db2.gz YOWPJGWMAFVOIR-PMSBKCLSSA-N 2 1 328.500 3.841 20 0 EHADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cc(Br)ccc1F ZINC000221920187 1042714499 /nfs/dbraw/zinc/71/44/99/1042714499.db2.gz QJMRQZXZGVOUSE-LBPRGKRZSA-N 2 1 331.273 3.969 20 0 EHADMP Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000162295723 1042718921 /nfs/dbraw/zinc/71/89/21/1042718921.db2.gz CPNZFTNGRKOLBO-CABCVRRESA-N 2 1 333.501 3.804 20 0 EHADMP Cc1nc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2s1 ZINC000663343860 1042727590 /nfs/dbraw/zinc/72/75/90/1042727590.db2.gz HTYSCVWZNIYXQU-QGZVFWFLSA-N 2 1 329.513 3.816 20 0 EHADMP Brc1ccsc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345305 1042730543 /nfs/dbraw/zinc/73/05/43/1042730543.db2.gz IDTGISUJUKHEIU-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccsc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345305 1042730548 /nfs/dbraw/zinc/73/05/48/1042730548.db2.gz IDTGISUJUKHEIU-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1ccsc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345305 1042730552 /nfs/dbraw/zinc/73/05/52/1042730552.db2.gz IDTGISUJUKHEIU-CYBMUJFWSA-N 2 1 343.334 3.722 20 0 EHADMP Brc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347774 1042737518 /nfs/dbraw/zinc/73/75/18/1042737518.db2.gz UZIXWUKCQSXRQJ-MRXNPFEDSA-N 2 1 337.305 3.661 20 0 EHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000644843032 1042856412 /nfs/dbraw/zinc/85/64/12/1042856412.db2.gz BBMSNZBBSNKMGM-JOCHJYFZSA-N 2 1 335.495 3.982 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000644843032 1042856417 /nfs/dbraw/zinc/85/64/17/1042856417.db2.gz BBMSNZBBSNKMGM-JOCHJYFZSA-N 2 1 335.495 3.982 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000644843032 1042856420 /nfs/dbraw/zinc/85/64/20/1042856420.db2.gz BBMSNZBBSNKMGM-JOCHJYFZSA-N 2 1 335.495 3.982 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000511988256 1042903359 /nfs/dbraw/zinc/90/33/59/1042903359.db2.gz HBAMUXYTMCCCID-GRYCIOLGSA-N 2 1 331.323 3.952 20 0 EHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)sc1Br ZINC000511988256 1042903363 /nfs/dbraw/zinc/90/33/63/1042903363.db2.gz HBAMUXYTMCCCID-GRYCIOLGSA-N 2 1 331.323 3.952 20 0 EHADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000925780774 1042930610 /nfs/dbraw/zinc/93/06/10/1042930610.db2.gz GPKKPOAPNSLKLP-GWCFXTLKSA-N 2 1 332.847 3.711 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925786952 1042979005 /nfs/dbraw/zinc/97/90/05/1042979005.db2.gz YCTDDSAAZJBUGT-PWSUYJOCSA-N 2 1 331.476 3.644 20 0 EHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC001167835836 1043038496 /nfs/dbraw/zinc/03/84/96/1043038496.db2.gz UKZGGAGBDLDYSB-HOJAQTOUSA-N 2 1 346.515 3.733 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[N@H+]1C1CC1 ZINC000390901560 1043049246 /nfs/dbraw/zinc/04/92/46/1043049246.db2.gz HZYRROVNBRBFPE-YFVAEKQCSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901560 1043049249 /nfs/dbraw/zinc/04/92/49/1043049249.db2.gz HZYRROVNBRBFPE-YFVAEKQCSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[NH+]1C1CC1 ZINC000390901560 1043049257 /nfs/dbraw/zinc/04/92/57/1043049257.db2.gz HZYRROVNBRBFPE-YFVAEKQCSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(c3ccccc3)CC2)CCCO1 ZINC000432412988 1043118687 /nfs/dbraw/zinc/11/86/87/1043118687.db2.gz DVVCZYKGOMGBQJ-KMFTYDHNSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(c3ccccc3)CC2)CCCO1 ZINC000432412988 1043118699 /nfs/dbraw/zinc/11/86/99/1043118699.db2.gz DVVCZYKGOMGBQJ-KMFTYDHNSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418627 1043143274 /nfs/dbraw/zinc/14/32/74/1043143274.db2.gz UBQHRFHNRMCADN-JXXFODFXSA-N 2 1 334.479 3.540 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423579 1043169593 /nfs/dbraw/zinc/16/95/93/1043169593.db2.gz KROOIZGYCKJHHS-TZIWHRDSSA-N 2 1 332.532 3.734 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423579 1043169601 /nfs/dbraw/zinc/16/96/01/1043169601.db2.gz KROOIZGYCKJHHS-TZIWHRDSSA-N 2 1 332.532 3.734 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426778 1043177258 /nfs/dbraw/zinc/17/72/58/1043177258.db2.gz UYSKTUPOKXDHMM-HUUCEWRRSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426778 1043177261 /nfs/dbraw/zinc/17/72/61/1043177261.db2.gz UYSKTUPOKXDHMM-HUUCEWRRSA-N 2 1 344.421 3.857 20 0 EHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344066678 1043192965 /nfs/dbraw/zinc/19/29/65/1043192965.db2.gz QQBKNAUSIOSHDM-GQIGUUNPSA-N 2 1 334.479 3.682 20 0 EHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000512176675 1043648242 /nfs/dbraw/zinc/64/82/42/1043648242.db2.gz DJYSTOOWZGRXID-GEWVGOBGSA-N 2 1 346.490 3.660 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000414179563 1125598643 /nfs/dbraw/zinc/59/86/43/1125598643.db2.gz KVXKKSVXFCUGAF-SBHAEUEKSA-N 2 1 336.479 3.588 20 0 EHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000414179563 1125598647 /nfs/dbraw/zinc/59/86/47/1125598647.db2.gz KVXKKSVXFCUGAF-SBHAEUEKSA-N 2 1 336.479 3.588 20 0 EHADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000153773713 1125658886 /nfs/dbraw/zinc/65/88/86/1125658886.db2.gz RAGQSBIHVUXTNR-HNNXBMFYSA-N 2 1 347.528 3.737 20 0 EHADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000153773713 1125658889 /nfs/dbraw/zinc/65/88/89/1125658889.db2.gz RAGQSBIHVUXTNR-HNNXBMFYSA-N 2 1 347.528 3.737 20 0 EHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C[NH+]1CCCC1 ZINC000185073425 1126749446 /nfs/dbraw/zinc/74/94/46/1126749446.db2.gz CDBVVVRBUFAWOY-STQMWFEESA-N 2 1 341.293 3.537 20 0 EHADMP COc1cccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000172575035 1126799337 /nfs/dbraw/zinc/79/93/37/1126799337.db2.gz XJSUUIOGUIPUFY-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP CC(C)[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCCC1 ZINC000339068525 1126839341 /nfs/dbraw/zinc/83/93/41/1126839341.db2.gz QQANTQNZLGFCRD-GIVPXCGWSA-N 2 1 330.516 3.864 20 0 EHADMP Cn1cc(C[NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC000174927500 1126863982 /nfs/dbraw/zinc/86/39/82/1126863982.db2.gz FXAJFYCIVDRXFZ-UHFFFAOYSA-N 2 1 348.494 3.602 20 0 EHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623382296 1126941012 /nfs/dbraw/zinc/94/10/12/1126941012.db2.gz ANSZOFXDNPACOC-UHFFFAOYSA-N 2 1 332.488 3.591 20 0 EHADMP C[N@H+]1CC[C@@H](N[C@H]2COc3c2ccc(Cl)c3Cl)CC1(C)C ZINC000623432875 1126954964 /nfs/dbraw/zinc/95/49/64/1126954964.db2.gz OMLQQNYMKFKVOY-MFKMUULPSA-N 2 1 329.271 3.889 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1Cl ZINC000623557855 1126985128 /nfs/dbraw/zinc/98/51/28/1126985128.db2.gz KFVOXLQKJUMXQW-MSOLQXFVSA-N 2 1 344.886 3.784 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656777 1127006797 /nfs/dbraw/zinc/00/67/97/1127006797.db2.gz BLUHDPLRWBUXAV-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP Cc1cc(Br)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000623656777 1127006800 /nfs/dbraw/zinc/00/68/00/1127006800.db2.gz BLUHDPLRWBUXAV-GFCCVEGCSA-N 2 1 331.323 3.641 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(C(F)(F)F)c1 ZINC000623657584 1127006873 /nfs/dbraw/zinc/00/68/73/1127006873.db2.gz VAQXBWKARXYNPJ-ZDUSSCGKSA-N 2 1 330.394 3.536 20 0 EHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000623657584 1127006876 /nfs/dbraw/zinc/00/68/76/1127006876.db2.gz VAQXBWKARXYNPJ-ZDUSSCGKSA-N 2 1 330.394 3.536 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760350 1127087301 /nfs/dbraw/zinc/08/73/01/1127087301.db2.gz YZOCSMAGRZPFFD-HNNXBMFYSA-N 2 1 340.471 3.671 20 0 EHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC1(C)C ZINC000623800274 1127181892 /nfs/dbraw/zinc/18/18/92/1127181892.db2.gz BSGGDODPLWZTPE-CYBMUJFWSA-N 2 1 337.870 3.965 20 0 EHADMP Cc1cccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C(C)C)c1 ZINC000623893418 1127207602 /nfs/dbraw/zinc/20/76/02/1127207602.db2.gz PXOPLAOJRJPNPR-LEWJYISDSA-N 2 1 330.516 3.925 20 0 EHADMP Cc1csc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000623886381 1127210310 /nfs/dbraw/zinc/21/03/10/1127210310.db2.gz ZXZDRSQNFZPRPN-WMZOPIPTSA-N 2 1 329.513 3.667 20 0 EHADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)sc1C ZINC000623888623 1127210554 /nfs/dbraw/zinc/21/05/54/1127210554.db2.gz NSLQHHBAAUNDJM-IBGZPJMESA-N 2 1 337.577 3.823 20 0 EHADMP c1nc2c(s1)CCC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623974387 1127226245 /nfs/dbraw/zinc/22/62/45/1127226245.db2.gz DEEMAENWEIHYAP-DLBZAZTESA-N 2 1 327.497 3.632 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000624019601 1127234910 /nfs/dbraw/zinc/23/49/10/1127234910.db2.gz WIUCHWZVNLLQTI-JQHSSLGASA-N 2 1 332.488 3.589 20 0 EHADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000624019601 1127234914 /nfs/dbraw/zinc/23/49/14/1127234914.db2.gz WIUCHWZVNLLQTI-JQHSSLGASA-N 2 1 332.488 3.589 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000624123515 1127256375 /nfs/dbraw/zinc/25/63/75/1127256375.db2.gz NNCMYGNLEQHTGL-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000624123515 1127256379 /nfs/dbraw/zinc/25/63/79/1127256379.db2.gz NNCMYGNLEQHTGL-QWHCGFSZSA-N 2 1 343.284 3.971 20 0 EHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000624124000 1127256989 /nfs/dbraw/zinc/25/69/89/1127256989.db2.gz VLFSOSKLHHBLOG-QZTJIDSGSA-N 2 1 329.513 3.748 20 0 EHADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000624122994 1127257185 /nfs/dbraw/zinc/25/71/85/1127257185.db2.gz COYNCDYUASWMSG-AAEUAGOBSA-N 2 1 343.334 3.819 20 0 EHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000624122994 1127257187 /nfs/dbraw/zinc/25/71/87/1127257187.db2.gz COYNCDYUASWMSG-AAEUAGOBSA-N 2 1 343.334 3.819 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000182061422 1127310427 /nfs/dbraw/zinc/31/04/27/1127310427.db2.gz OPCFXQQCHDFCCH-ZVDOUQERSA-N 2 1 332.532 3.592 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000184557738 1127408231 /nfs/dbraw/zinc/40/82/31/1127408231.db2.gz ZPBACFFUAGKYDH-VGOFRKELSA-N 2 1 349.478 3.825 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H]1CC[NH3+] ZINC000404435363 1127433953 /nfs/dbraw/zinc/43/39/53/1127433953.db2.gz QXRRMBOJWKFKOF-CJNGLKHVSA-N 2 1 333.863 3.944 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H]1CC[NH3+] ZINC000404435363 1127433954 /nfs/dbraw/zinc/43/39/54/1127433954.db2.gz QXRRMBOJWKFKOF-CJNGLKHVSA-N 2 1 333.863 3.944 20 0 EHADMP COc1ccc(OCCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758811 1127431297 /nfs/dbraw/zinc/43/12/97/1127431297.db2.gz FUVOFRWECQSSPN-ZWKOTPCHSA-N 2 1 346.515 3.707 20 0 EHADMP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000381781110 1127492885 /nfs/dbraw/zinc/49/28/85/1127492885.db2.gz ZOCSJOZIOFMOAN-IPMKNSEASA-N 2 1 330.541 3.772 20 0 EHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980828 1127617984 /nfs/dbraw/zinc/61/79/84/1127617984.db2.gz RAVKJVASNARCHG-RTWAWAEBSA-N 2 1 342.527 3.980 20 0 EHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccn(C)n1 ZINC000542670077 1127897971 /nfs/dbraw/zinc/89/79/71/1127897971.db2.gz CMXVISGJESEENT-LJQANCHMSA-N 2 1 326.488 3.647 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)c1OC ZINC000062427131 1128134527 /nfs/dbraw/zinc/13/45/27/1128134527.db2.gz OYVXXRXAZQDMPS-CQSZACIVSA-N 2 1 340.895 3.567 20 0 EHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(Cl)c1OC ZINC000062427131 1128134530 /nfs/dbraw/zinc/13/45/30/1128134530.db2.gz OYVXXRXAZQDMPS-CQSZACIVSA-N 2 1 340.895 3.567 20 0 EHADMP COc1ccc([C@H]2C[C@H]([N@@H+](CCC[NH3+])C3CCCCC3)CCO2)cc1 ZINC001168591225 1128179057 /nfs/dbraw/zinc/17/90/57/1128179057.db2.gz UMCFXFOOPVJUGV-TZIWHRDSSA-N 2 1 346.515 3.899 20 0 EHADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671750494 1128203692 /nfs/dbraw/zinc/20/36/92/1128203692.db2.gz AJNAYGICZLPFJC-GJHJYOIJSA-N 2 1 330.516 3.834 20 0 EHADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001168601549 1128280153 /nfs/dbraw/zinc/28/01/53/1128280153.db2.gz UDXIFKBNSIYHNL-KBPBESRZSA-N 2 1 327.394 3.960 20 0 EHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccn(C)n1 ZINC000542671704 1128375237 /nfs/dbraw/zinc/37/52/37/1128375237.db2.gz UZQIVBXSFDEGAI-IBGZPJMESA-N 2 1 326.488 3.647 20 0 EHADMP COC1CCC(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)CC1 ZINC001168613281 1128381698 /nfs/dbraw/zinc/38/16/98/1128381698.db2.gz FTNSKUISOJFGGW-IIIMJFFVSA-N 2 1 342.487 3.720 20 0 EHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C(C)C)C[C@H]3C)CCO2)cc1 ZINC001168630976 1128494762 /nfs/dbraw/zinc/49/47/62/1128494762.db2.gz RLNOOEPPEOFQFS-LMQGHGSNSA-N 2 1 346.515 3.624 20 0 EHADMP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000475279009 1128711737 /nfs/dbraw/zinc/71/17/37/1128711737.db2.gz IRXYJLNEWCAIQT-MDNUFGMLSA-N 2 1 349.522 3.823 20 0 EHADMP C[N@H+]1CCC[C@@H](CNCc2cccc3c2OCC3)[C@H]1c1cccs1 ZINC000921775527 1128750749 /nfs/dbraw/zinc/75/07/49/1128750749.db2.gz GAPXPYUKGPJTJC-LPHOPBHVSA-N 2 1 342.508 3.856 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)[C@H]1c1cccs1 ZINC000921775527 1128750752 /nfs/dbraw/zinc/75/07/52/1128750752.db2.gz GAPXPYUKGPJTJC-LPHOPBHVSA-N 2 1 342.508 3.856 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)[C@H]1c1cccs1 ZINC000921775527 1128750754 /nfs/dbraw/zinc/75/07/54/1128750754.db2.gz GAPXPYUKGPJTJC-LPHOPBHVSA-N 2 1 342.508 3.856 20 0 EHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001648814381 1120046833 /nfs/dbraw/zinc/04/68/33/1120046833.db2.gz KKICHGYNLBZVMP-SIKLNZKXSA-N 2 1 343.559 3.740 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000076004305 1128897613 /nfs/dbraw/zinc/89/76/13/1128897613.db2.gz DPMDCLARKFCEOX-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000076004305 1128897616 /nfs/dbraw/zinc/89/76/16/1128897616.db2.gz DPMDCLARKFCEOX-MRXNPFEDSA-N 2 1 344.421 3.791 20 0 EHADMP CC(C)(C)OC1CC([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000451049527 1128909593 /nfs/dbraw/zinc/90/95/93/1128909593.db2.gz NEYFZSOOCMEYQB-KREBGBLKSA-N 2 1 342.527 3.786 20 0 EHADMP CC(C)(C)OC1CC([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000451049527 1128909596 /nfs/dbraw/zinc/90/95/96/1128909596.db2.gz NEYFZSOOCMEYQB-KREBGBLKSA-N 2 1 342.527 3.786 20 0 EHADMP CC(C)(C)OC1CC([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000451049527 1128909598 /nfs/dbraw/zinc/90/95/98/1128909598.db2.gz NEYFZSOOCMEYQB-KREBGBLKSA-N 2 1 342.527 3.786 20 0 EHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186292944 1120453467 /nfs/dbraw/zinc/45/34/67/1120453467.db2.gz DYCGXCGDVIQFSH-UHFFFAOYSA-N 2 1 332.488 3.638 20 0 EHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186292944 1120453469 /nfs/dbraw/zinc/45/34/69/1120453469.db2.gz DYCGXCGDVIQFSH-UHFFFAOYSA-N 2 1 332.488 3.638 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCCS4)[C@H]3C2)cc1 ZINC000542484394 1120572502 /nfs/dbraw/zinc/57/25/02/1120572502.db2.gz YPFSXSRWMNUEEG-YRPNKDGESA-N 2 1 330.541 3.772 20 0 EHADMP C[N@H+](C[C@H](O)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871764 1120652617 /nfs/dbraw/zinc/65/26/17/1120652617.db2.gz BOZZBEAVCVAYIC-NRFANRHFSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](C[C@H](O)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871764 1120652620 /nfs/dbraw/zinc/65/26/20/1120652620.db2.gz BOZZBEAVCVAYIC-NRFANRHFSA-N 2 1 330.516 3.524 20 0 EHADMP Cc1ccc(N2CCC([NH2+]CCSCc3ccccc3)CC2)[nH+]c1 ZINC000191100948 1120661322 /nfs/dbraw/zinc/66/13/22/1120661322.db2.gz IKSHRHRUIJGLGK-UHFFFAOYSA-N 2 1 341.524 3.882 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494891874 1120893638 /nfs/dbraw/zinc/89/36/38/1120893638.db2.gz QXAIIFJQIDRGBY-SJLPKXTDSA-N 2 1 333.524 3.528 20 0 EHADMP Brc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250085038 1120953697 /nfs/dbraw/zinc/95/36/97/1120953697.db2.gz OGPFUXLSNYQHJB-DJIMGWMZSA-N 2 1 337.305 3.850 20 0 EHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477522 1120955774 /nfs/dbraw/zinc/95/57/74/1120955774.db2.gz CHURJECVDQWPCG-RXVVDRJESA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477522 1120955777 /nfs/dbraw/zinc/95/57/77/1120955777.db2.gz CHURJECVDQWPCG-RXVVDRJESA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477522 1120955779 /nfs/dbraw/zinc/95/57/79/1120955779.db2.gz CHURJECVDQWPCG-RXVVDRJESA-N 2 1 348.506 3.580 20 0 EHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC001168477522 1120955783 /nfs/dbraw/zinc/95/57/83/1120955783.db2.gz CHURJECVDQWPCG-RXVVDRJESA-N 2 1 348.506 3.580 20 0 EHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250228981 1120958604 /nfs/dbraw/zinc/95/86/04/1120958604.db2.gz YXFOYCXGGQANPT-ZOBUZTSGSA-N 2 1 335.289 3.653 20 0 EHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650371 1121396548 /nfs/dbraw/zinc/39/65/48/1121396548.db2.gz QJOIKKCCQFPCHR-PXNSSMCTSA-N 2 1 346.515 3.553 20 0 EHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000237400614 1121483158 /nfs/dbraw/zinc/48/31/58/1121483158.db2.gz HHXVHUMQHLFEAE-KRWDZBQOSA-N 2 1 340.515 3.701 20 0 EHADMP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000237637883 1121489612 /nfs/dbraw/zinc/48/96/12/1121489612.db2.gz ZATJDQPLFIOIRX-OALUTQOASA-N 2 1 338.495 3.801 20 0 EHADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000237637883 1121489616 /nfs/dbraw/zinc/48/96/16/1121489616.db2.gz ZATJDQPLFIOIRX-OALUTQOASA-N 2 1 338.495 3.801 20 0 EHADMP OCCCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762927730 1121528481 /nfs/dbraw/zinc/52/84/81/1121528481.db2.gz VAGFGJHGQWNPOA-UHFFFAOYSA-N 2 1 330.516 3.527 20 0 EHADMP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763209997 1121882230 /nfs/dbraw/zinc/88/22/30/1121882230.db2.gz JBSGBFYVUDENQI-ICSRJNTNSA-N 2 1 349.563 3.569 20 0 EHADMP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763209997 1121882239 /nfs/dbraw/zinc/88/22/39/1121882239.db2.gz JBSGBFYVUDENQI-ICSRJNTNSA-N 2 1 349.563 3.569 20 0 EHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125944701 1122363686 /nfs/dbraw/zinc/36/36/86/1122363686.db2.gz QQRJRBSOBHAXSB-MJGOQNOKSA-N 2 1 326.488 3.601 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000125944701 1122363692 /nfs/dbraw/zinc/36/36/92/1122363692.db2.gz QQRJRBSOBHAXSB-MJGOQNOKSA-N 2 1 326.488 3.601 20 0 EHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233821 1122886950 /nfs/dbraw/zinc/88/69/50/1122886950.db2.gz SIXGWJFQTOXIKM-GHTZIAJQSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130124023 1122891928 /nfs/dbraw/zinc/89/19/28/1122891928.db2.gz XMTZSOCRSLPVHG-HOCLYGCPSA-N 2 1 336.442 3.587 20 0 EHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C)c1Br ZINC001236217195 1123108475 /nfs/dbraw/zinc/10/84/75/1123108475.db2.gz NNIYZVXYPQBQFF-LSDHHAIUSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C)c1Br ZINC001236217195 1123108477 /nfs/dbraw/zinc/10/84/77/1123108477.db2.gz NNIYZVXYPQBQFF-LSDHHAIUSA-N 2 1 325.294 3.768 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000237538467 1123127211 /nfs/dbraw/zinc/12/72/11/1123127211.db2.gz JFCBJTSTVDRWLK-LLVKDONJSA-N 2 1 329.416 3.666 20 0 EHADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)C2)cc1F ZINC000556875823 1123157287 /nfs/dbraw/zinc/15/72/87/1123157287.db2.gz KXGTXODKCMDITD-BQUOXIOCSA-N 2 1 332.463 3.543 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1 ZINC000131771022 1123179643 /nfs/dbraw/zinc/17/96/43/1123179643.db2.gz GXLHIKWWIZGUFT-UHFFFAOYSA-N 2 1 330.422 3.762 20 0 EHADMP CCC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499177061 1123259039 /nfs/dbraw/zinc/25/90/39/1123259039.db2.gz OORRWAMVSFJLRL-DKUWSORSSA-N 2 1 341.543 3.646 20 0 EHADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000557010272 1123264825 /nfs/dbraw/zinc/26/48/25/1123264825.db2.gz WQDDNXFCWOKLAQ-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]2COCC[C@H]21 ZINC000557010272 1123264827 /nfs/dbraw/zinc/26/48/27/1123264827.db2.gz WQDDNXFCWOKLAQ-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]2COCC[C@H]21 ZINC000557010272 1123264829 /nfs/dbraw/zinc/26/48/29/1123264829.db2.gz WQDDNXFCWOKLAQ-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000557010272 1123264831 /nfs/dbraw/zinc/26/48/31/1123264831.db2.gz WQDDNXFCWOKLAQ-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000557010272 1123264833 /nfs/dbraw/zinc/26/48/33/1123264833.db2.gz WQDDNXFCWOKLAQ-WOJBJXKFSA-N 2 1 330.516 3.646 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[C@H]1c1ccccc1 ZINC000517226297 1123719109 /nfs/dbraw/zinc/71/91/09/1123719109.db2.gz MFRWFGTXJHVZOE-ZCNNSNEGSA-N 2 1 328.500 3.903 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[C@H]1c1ccccc1 ZINC000517226297 1123719113 /nfs/dbraw/zinc/71/91/13/1123719113.db2.gz MFRWFGTXJHVZOE-ZCNNSNEGSA-N 2 1 328.500 3.903 20 0 EHADMP CC(C)C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000245661260 1123914998 /nfs/dbraw/zinc/91/49/98/1123914998.db2.gz FUDHGUXCUGENAZ-YUMYIRISSA-N 2 1 343.559 3.748 20 0 EHADMP CCC[N@@H+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245707536 1123931933 /nfs/dbraw/zinc/93/19/33/1123931933.db2.gz MSVRWWJSASTPCM-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245707536 1123931935 /nfs/dbraw/zinc/93/19/35/1123931935.db2.gz MSVRWWJSASTPCM-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP CCC[NH+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245707536 1123931937 /nfs/dbraw/zinc/93/19/37/1123931937.db2.gz MSVRWWJSASTPCM-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2COc4ccccc4C2)C3)cc1 ZINC000245721344 1123936039 /nfs/dbraw/zinc/93/60/39/1123936039.db2.gz OSNIHYYMZCGALK-YUMYIRISSA-N 2 1 348.490 3.775 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Br)s2)CC2CC2)CC1 ZINC001236550896 1124018342 /nfs/dbraw/zinc/01/83/42/1124018342.db2.gz IJWFDMWEIJWJAA-JOCQHMNTSA-N 2 1 343.334 3.993 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000246147402 1124031437 /nfs/dbraw/zinc/03/14/37/1124031437.db2.gz SNTCTSSJDFLUBY-LEWJYISDSA-N 2 1 348.506 3.884 20 0 EHADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246418003 1124461622 /nfs/dbraw/zinc/46/16/22/1124461622.db2.gz NAEQJHVHRZQJRR-IAGOWNOFSA-N 2 1 334.504 3.722 20 0 EHADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000246418003 1124461627 /nfs/dbraw/zinc/46/16/27/1124461627.db2.gz NAEQJHVHRZQJRR-IAGOWNOFSA-N 2 1 334.504 3.722 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2N(C)C)[C@@H](C)C1 ZINC000246451126 1124470364 /nfs/dbraw/zinc/47/03/64/1124470364.db2.gz NRRZXAJPYUVNOB-NSHGMRRFSA-N 2 1 347.547 3.540 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246859163 1124558600 /nfs/dbraw/zinc/55/86/00/1124558600.db2.gz CLGAURDOBMIKQI-FLTCSQOGSA-N 2 1 330.516 3.781 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[NH+](C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567903 /nfs/dbraw/zinc/56/79/03/1124567903.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 3 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567913 /nfs/dbraw/zinc/56/79/13/1124567913.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567923 /nfs/dbraw/zinc/56/79/23/1124567923.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3C[C@H](C)[NH+](C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567935 /nfs/dbraw/zinc/56/79/35/1124567935.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3C[C@H](C)[NH+](C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567944 /nfs/dbraw/zinc/56/79/44/1124567944.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567953 /nfs/dbraw/zinc/56/79/53/1124567953.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567958 /nfs/dbraw/zinc/56/79/58/1124567958.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567967 /nfs/dbraw/zinc/56/79/67/1124567967.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C1 ZINC000246932241 1124567974 /nfs/dbraw/zinc/56/79/74/1124567974.db2.gz HEOXCPGHSLWDRC-NXWNEQKCSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246981942 1124576338 /nfs/dbraw/zinc/57/63/38/1124576338.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246981942 1124576344 /nfs/dbraw/zinc/57/63/44/1124576344.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246981942 1124576350 /nfs/dbraw/zinc/57/63/50/1124576350.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246981942 1124576357 /nfs/dbraw/zinc/57/63/57/1124576357.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246981942 1124576360 /nfs/dbraw/zinc/57/63/60/1124576360.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246981942 1124576376 /nfs/dbraw/zinc/57/63/76/1124576376.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246981942 1124576379 /nfs/dbraw/zinc/57/63/79/1124576379.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246981942 1124576384 /nfs/dbraw/zinc/57/63/84/1124576384.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246981942 1124576390 /nfs/dbraw/zinc/57/63/90/1124576390.db2.gz JSXUJULSBLVCDA-YXTQBTIXSA-N 2 1 343.559 3.879 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1 ZINC000247015191 1124579218 /nfs/dbraw/zinc/57/92/18/1124579218.db2.gz KNMYUSZNBNQVLV-CWFSZBLJSA-N 2 1 327.472 3.773 20 0 EHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965337 1124632004 /nfs/dbraw/zinc/63/20/04/1124632004.db2.gz GRYPPUSFOOIPLP-SJLPKXTDSA-N 2 1 327.497 3.726 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965337 1124632006 /nfs/dbraw/zinc/63/20/06/1124632006.db2.gz GRYPPUSFOOIPLP-SJLPKXTDSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965337 1124632008 /nfs/dbraw/zinc/63/20/08/1124632008.db2.gz GRYPPUSFOOIPLP-SJLPKXTDSA-N 2 1 327.497 3.726 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000247965337 1124632010 /nfs/dbraw/zinc/63/20/10/1124632010.db2.gz GRYPPUSFOOIPLP-SJLPKXTDSA-N 2 1 327.497 3.726 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccc(Br)c21 ZINC000248135986 1124642018 /nfs/dbraw/zinc/64/20/18/1124642018.db2.gz PBVUEYMBMIRPCU-XJKCOSOUSA-N 2 1 337.305 3.929 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000248163698 1124644243 /nfs/dbraw/zinc/64/42/43/1124644243.db2.gz SOHTWYRXVQWGDH-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000248163698 1124644249 /nfs/dbraw/zinc/64/42/49/1124644249.db2.gz SOHTWYRXVQWGDH-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000248163698 1124644256 /nfs/dbraw/zinc/64/42/56/1124644256.db2.gz SOHTWYRXVQWGDH-NVXWUHKLSA-N 2 1 342.405 3.544 20 0 EHADMP CC[C@@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594060 1124822601 /nfs/dbraw/zinc/82/26/01/1124822601.db2.gz DVGXGQABPVGVCG-FQEVSTJZSA-N 2 1 330.516 3.632 20 0 EHADMP C[C@@]1(CNC2CC[NH+](CC3CC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000152973061 1125409389 /nfs/dbraw/zinc/40/93/89/1125409389.db2.gz TXQVYLDSWZNBBZ-QFIPXVFZSA-N 2 1 341.543 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000163132413 1125443169 /nfs/dbraw/zinc/44/31/69/1125443169.db2.gz XRKZMLFDBZAHHE-FOIQADDNSA-N 2 1 327.472 3.773 20 0 EHADMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000765973131 1129224040 /nfs/dbraw/zinc/22/40/40/1129224040.db2.gz CXFCZNVVBIDMFA-ICSRJNTNSA-N 2 1 330.516 3.906 20 0 EHADMP CCCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000657309547 1129255694 /nfs/dbraw/zinc/25/56/94/1129255694.db2.gz GHHSFIXDWPOSND-SFHVURJKSA-N 2 1 340.515 3.815 20 0 EHADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000499661548 1129272078 /nfs/dbraw/zinc/27/20/78/1129272078.db2.gz CSDPSAAQUJERLH-INIZCTEOSA-N 2 1 330.447 3.835 20 0 EHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976321 1129361519 /nfs/dbraw/zinc/36/15/19/1129361519.db2.gz NBCXBSPVWBHUDH-FCHUYYIVSA-N 2 1 344.543 3.877 20 0 EHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2nc3ccc(F)cc3s2)c1 ZINC000428864659 1129548405 /nfs/dbraw/zinc/54/84/05/1129548405.db2.gz USYBIZPOAQGZPL-UHFFFAOYSA-N 2 1 329.444 3.787 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499908568 1129565549 /nfs/dbraw/zinc/56/55/49/1129565549.db2.gz JJRRWCJWBILDAJ-CQSZACIVSA-N 2 1 325.294 3.928 20 0 EHADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499908568 1129565552 /nfs/dbraw/zinc/56/55/52/1129565552.db2.gz JJRRWCJWBILDAJ-CQSZACIVSA-N 2 1 325.294 3.928 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCS1 ZINC000922836432 1129682863 /nfs/dbraw/zinc/68/28/63/1129682863.db2.gz BTKOYFPZAXZZML-DNVCBOLYSA-N 2 1 336.520 3.706 20 0 EHADMP CSC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000347785574 1129773058 /nfs/dbraw/zinc/77/30/58/1129773058.db2.gz QSYPQVVVBQWDHL-LJQANCHMSA-N 2 1 330.541 3.870 20 0 EHADMP CSC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000347785574 1129773060 /nfs/dbraw/zinc/77/30/60/1129773060.db2.gz QSYPQVVVBQWDHL-LJQANCHMSA-N 2 1 330.541 3.870 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890893 1129791074 /nfs/dbraw/zinc/79/10/74/1129791074.db2.gz ZKSWWTRLFAYEBS-RXVVDRJESA-N 3 1 343.559 3.607 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC[NH+](C)CC1 ZINC000390890893 1129791077 /nfs/dbraw/zinc/79/10/77/1129791077.db2.gz ZKSWWTRLFAYEBS-RXVVDRJESA-N 3 1 343.559 3.607 20 0 EHADMP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000674069554 1129996926 /nfs/dbraw/zinc/99/69/26/1129996926.db2.gz GYCMTQKERIQXMS-GOSISDBHSA-N 2 1 325.500 3.933 20 0 EHADMP CCC(C)(C)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000674306425 1130062194 /nfs/dbraw/zinc/06/21/94/1130062194.db2.gz NXSJSDVSBPEPIV-UHFFFAOYSA-N 2 1 337.596 3.941 20 0 EHADMP CCC(C)(C)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306425 1130062200 /nfs/dbraw/zinc/06/22/00/1130062200.db2.gz NXSJSDVSBPEPIV-UHFFFAOYSA-N 3 1 337.596 3.941 20 0 EHADMP CCC(C)(C)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306425 1130062207 /nfs/dbraw/zinc/06/22/07/1130062207.db2.gz NXSJSDVSBPEPIV-UHFFFAOYSA-N 3 1 337.596 3.941 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139200 1130389149 /nfs/dbraw/zinc/38/91/49/1130389149.db2.gz NKIDNLUDAMJJDY-LSTHTHJFSA-N 2 1 344.524 3.598 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139200 1130389154 /nfs/dbraw/zinc/38/91/54/1130389154.db2.gz NKIDNLUDAMJJDY-LSTHTHJFSA-N 2 1 344.524 3.598 20 0 EHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881222 1130499863 /nfs/dbraw/zinc/49/98/63/1130499863.db2.gz KURNYWXVTLVZQJ-CTNGQTDRSA-N 2 1 328.500 3.687 20 0 EHADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675883302 1130500774 /nfs/dbraw/zinc/50/07/74/1130500774.db2.gz ZKPHAYSSJLEZES-KSEOMHKRSA-N 2 1 342.527 3.631 20 0 EHADMP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883180 1130500844 /nfs/dbraw/zinc/50/08/44/1130500844.db2.gz XIICNTFSWPAXEA-DNVCBOLYSA-N 2 1 334.891 3.560 20 0 EHADMP CC1(O)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000705443629 1130527711 /nfs/dbraw/zinc/52/77/11/1130527711.db2.gz IUSNWQNGQAQWSM-OBXNSHGQSA-N 2 1 330.516 3.570 20 0 EHADMP CC1(O)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000705443629 1130527715 /nfs/dbraw/zinc/52/77/15/1130527715.db2.gz IUSNWQNGQAQWSM-OBXNSHGQSA-N 2 1 330.516 3.570 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731677913 1130831825 /nfs/dbraw/zinc/83/18/25/1130831825.db2.gz BUFUTMRWFFDBRL-HNNXBMFYSA-N 2 1 327.472 3.721 20 0 EHADMP S=c1oc2ccccc2n1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000738071819 1131460513 /nfs/dbraw/zinc/46/05/13/1131460513.db2.gz QEIUFTWFCHTPAS-UHFFFAOYSA-N 2 1 331.485 3.729 20 0 EHADMP COCc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000179225362 1131491429 /nfs/dbraw/zinc/49/14/29/1131491429.db2.gz GAMZOVGYAXLKDY-QFIPXVFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000179225362 1131491432 /nfs/dbraw/zinc/49/14/32/1131491432.db2.gz GAMZOVGYAXLKDY-QFIPXVFZSA-N 2 1 338.495 3.787 20 0 EHADMP COCc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000179225362 1131491434 /nfs/dbraw/zinc/49/14/34/1131491434.db2.gz GAMZOVGYAXLKDY-QFIPXVFZSA-N 2 1 338.495 3.787 20 0 EHADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172467623 1131754475 /nfs/dbraw/zinc/75/44/75/1131754475.db2.gz RYEBYSOLWGDTAE-OKZBNKHCSA-N 2 1 336.545 3.563 20 0 EHADMP CC(C)COCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172467623 1131754477 /nfs/dbraw/zinc/75/44/77/1131754477.db2.gz RYEBYSOLWGDTAE-OKZBNKHCSA-N 2 1 336.545 3.563 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172467623 1131754480 /nfs/dbraw/zinc/75/44/80/1131754480.db2.gz RYEBYSOLWGDTAE-OKZBNKHCSA-N 2 1 336.545 3.563 20 0 EHADMP CC(C)COCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172467623 1131754485 /nfs/dbraw/zinc/75/44/85/1131754485.db2.gz RYEBYSOLWGDTAE-OKZBNKHCSA-N 2 1 336.545 3.563 20 0 EHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)[C@H]2C1 ZINC001204090905 1131793179 /nfs/dbraw/zinc/79/31/79/1131793179.db2.gz YVXRBOQICDCJRV-TUKIKUTGSA-N 2 1 332.797 3.789 20 0 EHADMP Clc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096245616 1131812425 /nfs/dbraw/zinc/81/24/25/1131812425.db2.gz CMXDAQDZYCUOEQ-KDURUIRLSA-N 2 1 326.871 3.904 20 0 EHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779489 1131845266 /nfs/dbraw/zinc/84/52/66/1131845266.db2.gz GGROYVXAANJKTP-CAMMJAKZSA-N 2 1 336.520 3.623 20 0 EHADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172932791 1131910250 /nfs/dbraw/zinc/91/02/50/1131910250.db2.gz ZBIDCZKGFWFGAD-NCXUSEDFSA-N 2 1 334.479 3.855 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172941629 1131912348 /nfs/dbraw/zinc/91/23/48/1131912348.db2.gz GDJDCSRGYGGBMJ-LEWJYISDSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001173084982 1131962865 /nfs/dbraw/zinc/96/28/65/1131962865.db2.gz FVKNLHJFEJGSRU-HIFRSBDPSA-N 2 1 330.394 3.590 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001173113187 1131970147 /nfs/dbraw/zinc/97/01/47/1131970147.db2.gz KSFPFIRTGXTPMS-CBNMVNINSA-N 2 1 330.516 3.583 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)CC1 ZINC001173112383 1131970946 /nfs/dbraw/zinc/97/09/46/1131970946.db2.gz WXCGBCQMAOYJKY-XVAXZDLZSA-N 2 1 349.563 3.506 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173126994 1131975236 /nfs/dbraw/zinc/97/52/36/1131975236.db2.gz UMHNOOSRFCRXEZ-BZSNNMDCSA-N 2 1 341.524 3.773 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846111 1131991399 /nfs/dbraw/zinc/99/13/99/1131991399.db2.gz BWXLNAAICKUSTJ-IFMALSPDSA-N 2 1 344.543 3.925 20 0 EHADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000743846111 1131991406 /nfs/dbraw/zinc/99/14/06/1131991406.db2.gz BWXLNAAICKUSTJ-IFMALSPDSA-N 2 1 344.543 3.925 20 0 EHADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001173257129 1132020995 /nfs/dbraw/zinc/02/09/95/1132020995.db2.gz XIAUSNUQSGZGLC-NJYVYQBISA-N 2 1 346.563 3.779 20 0 EHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CCCC2(CCCCC2)C1 ZINC001173346482 1132057466 /nfs/dbraw/zinc/05/74/66/1132057466.db2.gz YKNVRGUNYXJFHB-SLFFLAALSA-N 2 1 333.564 3.590 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756220 1132418348 /nfs/dbraw/zinc/41/83/48/1132418348.db2.gz JIWUCQOHMZEKRD-WBVHZDCISA-N 2 1 338.499 3.681 20 0 EHADMP Cc1nc2ccccc2nc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756220 1132418351 /nfs/dbraw/zinc/41/83/51/1132418351.db2.gz JIWUCQOHMZEKRD-WBVHZDCISA-N 2 1 338.499 3.681 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101102 1132655939 /nfs/dbraw/zinc/65/59/39/1132655939.db2.gz OKYDBJLRPUMBAQ-IYWMVGAKSA-N 2 1 332.463 3.508 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Cl)CCOCC1)C2 ZINC001169116148 1132662097 /nfs/dbraw/zinc/66/20/97/1132662097.db2.gz OLZMTBFRBROMBT-MUJYYYPQSA-N 2 1 334.891 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Cl)CCOCC1)C2 ZINC001169116148 1132662102 /nfs/dbraw/zinc/66/21/02/1132662102.db2.gz OLZMTBFRBROMBT-MUJYYYPQSA-N 2 1 334.891 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccccn3)CCC(F)(F)CC1)C2 ZINC001169117180 1132662511 /nfs/dbraw/zinc/66/25/11/1132662511.db2.gz XIGNTDNVYBKWPB-NNZMDNLPSA-N 2 1 349.469 3.787 20 0 EHADMP COc1cccc2c1CC[C@H](CCC[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169119362 1132663962 /nfs/dbraw/zinc/66/39/62/1132663962.db2.gz RXELAMFSYWGHTJ-FFGOWVMKSA-N 2 1 342.527 3.795 20 0 EHADMP COc1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001169119055 1132664258 /nfs/dbraw/zinc/66/42/58/1132664258.db2.gz PMKVWFQFJFYBKJ-LDLYASANSA-N 2 1 328.500 3.623 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccccc3Cl)CC1)C2 ZINC001169140380 1132670200 /nfs/dbraw/zinc/67/02/00/1132670200.db2.gz JQLMUSFRTHEQIW-ZSHCYNCHSA-N 2 1 334.891 3.808 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[NH+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115578 1132672255 /nfs/dbraw/zinc/67/22/55/1132672255.db2.gz LCQXPQNEHNHHMR-PLACYPQZSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115578 1132672261 /nfs/dbraw/zinc/67/22/61/1132672261.db2.gz LCQXPQNEHNHHMR-PLACYPQZSA-N 2 1 341.543 3.502 20 0 EHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001169115578 1132672266 /nfs/dbraw/zinc/67/22/66/1132672266.db2.gz LCQXPQNEHNHHMR-PLACYPQZSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115578 1132672270 /nfs/dbraw/zinc/67/22/70/1132672270.db2.gz LCQXPQNEHNHHMR-PLACYPQZSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115578 1132672276 /nfs/dbraw/zinc/67/22/76/1132672276.db2.gz LCQXPQNEHNHHMR-PLACYPQZSA-N 2 1 341.543 3.502 20 0 EHADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Br ZINC001206003683 1132675041 /nfs/dbraw/zinc/67/50/41/1132675041.db2.gz LBRJWMFGKRBFGG-KGLIPLIRSA-N 2 1 325.294 3.564 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(COc3ccc(F)cc3)CC1)C2 ZINC001169153681 1132680523 /nfs/dbraw/zinc/68/05/23/1132680523.db2.gz LBACPPWHUONIGS-BWTSREIZSA-N 2 1 332.463 3.542 20 0 EHADMP C[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004043 1132687808 /nfs/dbraw/zinc/68/78/08/1132687808.db2.gz PEELZLCRBYTXHZ-JQWIXIFHSA-N 2 1 336.348 3.790 20 0 EHADMP C[NH+]1Cc2c(NC3=CCC[N@H+](C)C3)cccc2[C@@H](c2ccccc2)C1 ZINC001175579057 1132713820 /nfs/dbraw/zinc/71/38/20/1132713820.db2.gz SKSXAYORIFUEGH-HXUWFJFHSA-N 2 1 333.479 3.895 20 0 EHADMP C[NH+]1CCC=C(Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001175579057 1132713823 /nfs/dbraw/zinc/71/38/23/1132713823.db2.gz SKSXAYORIFUEGH-HXUWFJFHSA-N 2 1 333.479 3.895 20 0 EHADMP C[NH+]1CCC=C(Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001175579057 1132713826 /nfs/dbraw/zinc/71/38/26/1132713826.db2.gz SKSXAYORIFUEGH-HXUWFJFHSA-N 2 1 333.479 3.895 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206012447 1132777602 /nfs/dbraw/zinc/77/76/02/1132777602.db2.gz LNRIYHTZLCRRDT-YPMHNXCESA-N 2 1 345.712 3.909 20 0 EHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(C[NH+](C)C)cc3)c2C1 ZINC001176290763 1132892348 /nfs/dbraw/zinc/89/23/48/1132892348.db2.gz RTIVVPHAEWEKTF-UHFFFAOYSA-N 2 1 344.528 3.904 20 0 EHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(Br)c2)CC1 ZINC001206296544 1133045959 /nfs/dbraw/zinc/04/59/59/1133045959.db2.gz UGIVQWBCQNKBIV-KRWDZBQOSA-N 2 1 339.321 3.833 20 0 EHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177487784 1133069645 /nfs/dbraw/zinc/06/96/45/1133069645.db2.gz PFRJJALUOWLLSW-CYBMUJFWSA-N 2 1 343.284 3.718 20 0 EHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177487784 1133069650 /nfs/dbraw/zinc/06/96/50/1133069650.db2.gz PFRJJALUOWLLSW-CYBMUJFWSA-N 2 1 343.284 3.718 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cnc1Cl ZINC001177668699 1133090684 /nfs/dbraw/zinc/09/06/84/1133090684.db2.gz AQHISSCWMWATAF-SFHVURJKSA-N 2 1 343.902 3.698 20 0 EHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cnc1Cl ZINC001177668699 1133090691 /nfs/dbraw/zinc/09/06/91/1133090691.db2.gz AQHISSCWMWATAF-SFHVURJKSA-N 2 1 343.902 3.698 20 0 EHADMP Cc1cccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c1Br ZINC001177744124 1133098558 /nfs/dbraw/zinc/09/85/58/1133098558.db2.gz RSCBSJWPXSYGII-HNNXBMFYSA-N 2 1 339.321 3.968 20 0 EHADMP CC[NH+](CC)CC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000768303394 1133123422 /nfs/dbraw/zinc/12/34/22/1133123422.db2.gz NMXWHJNQUSKZFU-UHFFFAOYSA-N 2 1 334.895 3.542 20 0 EHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500833 1133147104 /nfs/dbraw/zinc/14/71/04/1133147104.db2.gz GAAVWBPPNQOXTN-WBVHZDCISA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500833 1133147106 /nfs/dbraw/zinc/14/71/06/1133147106.db2.gz GAAVWBPPNQOXTN-WBVHZDCISA-N 2 1 327.497 3.744 20 0 EHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500833 1133147108 /nfs/dbraw/zinc/14/71/08/1133147108.db2.gz GAAVWBPPNQOXTN-WBVHZDCISA-N 2 1 327.497 3.744 20 0 EHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148529 1133234868 /nfs/dbraw/zinc/23/48/68/1133234868.db2.gz NCEQGJOXSRVATR-PKOBYXMFSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769148529 1133234873 /nfs/dbraw/zinc/23/48/73/1133234873.db2.gz NCEQGJOXSRVATR-PKOBYXMFSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148529 1133234878 /nfs/dbraw/zinc/23/48/78/1133234878.db2.gz NCEQGJOXSRVATR-PKOBYXMFSA-N 2 1 328.500 3.803 20 0 EHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769148529 1133234883 /nfs/dbraw/zinc/23/48/83/1133234883.db2.gz NCEQGJOXSRVATR-PKOBYXMFSA-N 2 1 328.500 3.803 20 0 EHADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001179257724 1133239777 /nfs/dbraw/zinc/23/97/77/1133239777.db2.gz GQMHDNWNWPQSEG-INIZCTEOSA-N 2 1 336.907 3.950 20 0 EHADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001179257724 1133239783 /nfs/dbraw/zinc/23/97/83/1133239783.db2.gz GQMHDNWNWPQSEG-INIZCTEOSA-N 2 1 336.907 3.950 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000769869159 1133356352 /nfs/dbraw/zinc/35/63/52/1133356352.db2.gz CEJGBHGHUUDJMW-APWZRJJASA-N 2 1 341.499 3.761 20 0 EHADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000769869159 1133356359 /nfs/dbraw/zinc/35/63/59/1133356359.db2.gz CEJGBHGHUUDJMW-APWZRJJASA-N 2 1 341.499 3.761 20 0 EHADMP C[C@@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC001180582059 1133393785 /nfs/dbraw/zinc/39/37/85/1133393785.db2.gz BJFKXHZBXKQEBN-KRWDZBQOSA-N 2 1 343.515 3.874 20 0 EHADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1)CC1CC1 ZINC000771474751 1133560044 /nfs/dbraw/zinc/56/00/44/1133560044.db2.gz FKSGUXUMCLRZCF-UHFFFAOYSA-N 2 1 348.535 3.701 20 0 EHADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1)CC1CC1 ZINC000771474751 1133560049 /nfs/dbraw/zinc/56/00/49/1133560049.db2.gz FKSGUXUMCLRZCF-UHFFFAOYSA-N 2 1 348.535 3.701 20 0 EHADMP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000774135157 1133621842 /nfs/dbraw/zinc/62/18/42/1133621842.db2.gz SPPOHGMAZKAEMB-UVUJQTEASA-N 2 1 341.543 3.646 20 0 EHADMP Cc1nc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)cs1 ZINC000774148125 1133623065 /nfs/dbraw/zinc/62/30/65/1133623065.db2.gz PEJPUDYTOIEZDC-AYHJJNSGSA-N 2 1 327.497 3.833 20 0 EHADMP Cc1nc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)cs1 ZINC000774148125 1133623068 /nfs/dbraw/zinc/62/30/68/1133623068.db2.gz PEJPUDYTOIEZDC-AYHJJNSGSA-N 2 1 327.497 3.833 20 0 EHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CCCC(C)C)C2 ZINC001170079938 1134056440 /nfs/dbraw/zinc/05/64/40/1134056440.db2.gz GVVXLDGHGHELSQ-SESVDKBCSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170079938 1134056447 /nfs/dbraw/zinc/05/64/47/1134056447.db2.gz GVVXLDGHGHELSQ-SESVDKBCSA-N 2 1 336.564 3.882 20 0 EHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170079938 1134056454 /nfs/dbraw/zinc/05/64/54/1134056454.db2.gz GVVXLDGHGHELSQ-SESVDKBCSA-N 2 1 336.564 3.882 20 0 EHADMP Cc1cc(Br)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000774913213 1134119189 /nfs/dbraw/zinc/11/91/89/1134119189.db2.gz RFUGWEPDNXVJQI-NVXWUHKLSA-N 2 1 337.305 3.674 20 0 EHADMP COc1ccc([C@@H](C)NCC(C)(C)[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000775365007 1134668019 /nfs/dbraw/zinc/66/80/19/1134668019.db2.gz NYOCCHSYOZZLFU-QGZVFWFLSA-N 2 1 347.547 3.672 20 0 EHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001190317197 1134679524 /nfs/dbraw/zinc/67/95/24/1134679524.db2.gz BGQNRBXJIHOCBI-NRFANRHFSA-N 2 1 335.580 3.837 20 0 EHADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001190317197 1134679529 /nfs/dbraw/zinc/67/95/29/1134679529.db2.gz BGQNRBXJIHOCBI-NRFANRHFSA-N 2 1 335.580 3.837 20 0 EHADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001190456543 1134703383 /nfs/dbraw/zinc/70/33/83/1134703383.db2.gz AZZRLDZUCRYNIX-WOJBJXKFSA-N 2 1 335.580 3.552 20 0 EHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226928 1134723456 /nfs/dbraw/zinc/72/34/56/1134723456.db2.gz LXRPFSGBTQOXCP-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226928 1134723461 /nfs/dbraw/zinc/72/34/61/1134723461.db2.gz LXRPFSGBTQOXCP-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC001170226928 1134723468 /nfs/dbraw/zinc/72/34/68/1134723468.db2.gz LXRPFSGBTQOXCP-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCN2CCc3ccccc32)C1 ZINC001191057539 1134784988 /nfs/dbraw/zinc/78/49/88/1134784988.db2.gz KHNWTYMUHUTXSN-UXHICEINSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCN2CCc3ccccc32)C1 ZINC001191057539 1134784994 /nfs/dbraw/zinc/78/49/94/1134784994.db2.gz KHNWTYMUHUTXSN-UXHICEINSA-N 2 1 341.543 3.636 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCN2CCc3ccccc32)C1 ZINC001191057539 1134784999 /nfs/dbraw/zinc/78/49/99/1134784999.db2.gz KHNWTYMUHUTXSN-UXHICEINSA-N 2 1 341.543 3.636 20 0 EHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259780 1134826149 /nfs/dbraw/zinc/82/61/49/1134826149.db2.gz XMXRHAHZUYOSSP-YOEHRIQHSA-N 2 1 345.314 3.833 20 0 EHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259780 1134826164 /nfs/dbraw/zinc/82/61/64/1134826164.db2.gz XMXRHAHZUYOSSP-YOEHRIQHSA-N 2 1 345.314 3.833 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259780 1134826177 /nfs/dbraw/zinc/82/61/77/1134826177.db2.gz XMXRHAHZUYOSSP-YOEHRIQHSA-N 2 1 345.314 3.833 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259780 1134826188 /nfs/dbraw/zinc/82/61/88/1134826188.db2.gz XMXRHAHZUYOSSP-YOEHRIQHSA-N 2 1 345.314 3.833 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001191259780 1134826200 /nfs/dbraw/zinc/82/62/00/1134826200.db2.gz XMXRHAHZUYOSSP-YOEHRIQHSA-N 2 1 345.314 3.833 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521979 1134879458 /nfs/dbraw/zinc/87/94/58/1134879458.db2.gz YIAZEIPBXRNXIL-FCHUYYIVSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521979 1134879461 /nfs/dbraw/zinc/87/94/61/1134879461.db2.gz YIAZEIPBXRNXIL-FCHUYYIVSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521979 1134879465 /nfs/dbraw/zinc/87/94/65/1134879465.db2.gz YIAZEIPBXRNXIL-FCHUYYIVSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521979 1134879468 /nfs/dbraw/zinc/87/94/68/1134879468.db2.gz YIAZEIPBXRNXIL-FCHUYYIVSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521979 1134879471 /nfs/dbraw/zinc/87/94/71/1134879471.db2.gz YIAZEIPBXRNXIL-FCHUYYIVSA-N 2 1 341.543 3.589 20 0 EHADMP COc1c(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205617965 1135081302 /nfs/dbraw/zinc/08/13/02/1135081302.db2.gz QAKGRAOBQSBRKZ-YPMHNXCESA-N 2 1 331.287 3.809 20 0 EHADMP C[C@H](CO)[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CCC1 ZINC001193783939 1135180644 /nfs/dbraw/zinc/18/06/44/1135180644.db2.gz FHIYJQMDHYAMQA-GOSISDBHSA-N 2 1 330.516 3.655 20 0 EHADMP CC[C@H](O)C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194942070 1135345039 /nfs/dbraw/zinc/34/50/39/1135345039.db2.gz KNOPABINSJIOOT-VXKWHMMOSA-N 2 1 344.543 3.914 20 0 EHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001196943390 1135631978 /nfs/dbraw/zinc/63/19/78/1135631978.db2.gz LNGTXRNAUGHJFB-RTWAWAEBSA-N 2 1 348.506 3.620 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000809767470 1135880064 /nfs/dbraw/zinc/88/00/64/1135880064.db2.gz MGPHJBIBYUVEHH-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000809767470 1135880066 /nfs/dbraw/zinc/88/00/66/1135880066.db2.gz MGPHJBIBYUVEHH-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767470 1135880068 /nfs/dbraw/zinc/88/00/68/1135880068.db2.gz MGPHJBIBYUVEHH-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767470 1135880069 /nfs/dbraw/zinc/88/00/69/1135880069.db2.gz MGPHJBIBYUVEHH-RDJZCZTQSA-N 2 1 337.305 3.674 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)nc1 ZINC001199335941 1135899204 /nfs/dbraw/zinc/89/92/04/1135899204.db2.gz DZBDIBIITJMOBY-AWEZNQCLSA-N 2 1 340.309 3.588 20 0 EHADMP C[NH+](C)[C@@H](CNc1cccc(C[NH3+])n1)c1ccc(Cl)cc1Cl ZINC001170590714 1135906405 /nfs/dbraw/zinc/90/64/05/1135906405.db2.gz WZVSXFDBPPCSMP-HNNXBMFYSA-N 2 1 339.270 3.562 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1F ZINC001199666541 1135918173 /nfs/dbraw/zinc/91/81/73/1135918173.db2.gz BZLCXLKUUJOFPO-VQIMIIECSA-N 2 1 331.435 3.613 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000105442744 1135947688 /nfs/dbraw/zinc/94/76/88/1135947688.db2.gz VFQNXNYTTIZKDN-MRXNPFEDSA-N 2 1 327.472 3.939 20 0 EHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CC=CCC4)CC3)C2)cc1 ZINC001201415922 1136017274 /nfs/dbraw/zinc/01/72/74/1136017274.db2.gz IJNBXFICHTWGGU-FQEVSTJZSA-N 2 1 340.511 3.710 20 0 EHADMP c1csc(C[NH+]2C[C@H]3C[NH+](CCCc4ccccc4)C[C@@H]3C2)c1 ZINC001201655060 1136052682 /nfs/dbraw/zinc/05/26/82/1136052682.db2.gz LFXCHRCZPYWPKB-RTBURBONSA-N 2 1 326.509 3.745 20 0 EHADMP CCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201730428 1136056528 /nfs/dbraw/zinc/05/65/28/1136056528.db2.gz IJJZMTKPGQQZFI-SFTDATJTSA-N 2 1 334.548 3.637 20 0 EHADMP CCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201730428 1136056531 /nfs/dbraw/zinc/05/65/31/1136056531.db2.gz IJJZMTKPGQQZFI-SFTDATJTSA-N 2 1 334.548 3.637 20 0 EHADMP CCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201730428 1136056533 /nfs/dbraw/zinc/05/65/33/1136056533.db2.gz IJJZMTKPGQQZFI-SFTDATJTSA-N 2 1 334.548 3.637 20 0 EHADMP CCCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201750085 1136058283 /nfs/dbraw/zinc/05/82/83/1136058283.db2.gz GUKFDDSLPLQQED-UHFFFAOYSA-N 2 1 330.516 3.934 20 0 EHADMP CC(C)(C)C1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001201953972 1136077709 /nfs/dbraw/zinc/07/77/09/1136077709.db2.gz CENWEWBSDOACNB-CBNMVNINSA-N 2 1 344.543 3.948 20 0 EHADMP FC(F)(F)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001202368516 1136134640 /nfs/dbraw/zinc/13/46/40/1136134640.db2.gz OEBVQBUBYURWJD-IAGOWNOFSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001202368516 1136134642 /nfs/dbraw/zinc/13/46/42/1136134642.db2.gz OEBVQBUBYURWJD-IAGOWNOFSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001202368516 1136134644 /nfs/dbraw/zinc/13/46/44/1136134644.db2.gz OEBVQBUBYURWJD-IAGOWNOFSA-N 2 1 326.406 3.783 20 0 EHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000812825020 1136250318 /nfs/dbraw/zinc/25/03/18/1136250318.db2.gz ZBXOYDFHVFCOOG-UHFFFAOYSA-N 2 1 329.410 3.653 20 0 EHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000812825020 1136250322 /nfs/dbraw/zinc/25/03/22/1136250322.db2.gz ZBXOYDFHVFCOOG-UHFFFAOYSA-N 2 1 329.410 3.653 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528885 1136279460 /nfs/dbraw/zinc/27/94/60/1136279460.db2.gz NUBIXVBHAVJOFU-YCADQPJXSA-N 2 1 348.490 3.950 20 0 EHADMP O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000850528885 1136279463 /nfs/dbraw/zinc/27/94/63/1136279463.db2.gz NUBIXVBHAVJOFU-YCADQPJXSA-N 2 1 348.490 3.950 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850529934 1136279511 /nfs/dbraw/zinc/27/95/11/1136279511.db2.gz UPGGNFXQGVNHME-HUJKARHJSA-N 2 1 328.500 3.798 20 0 EHADMP C[C@H]([NH2+]CCC1SCCS1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850569834 1136288402 /nfs/dbraw/zinc/28/84/02/1136288402.db2.gz CIUXPQPIXNYAIY-RDJZCZTQSA-N 2 1 336.570 3.683 20 0 EHADMP C[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000813789621 1136362095 /nfs/dbraw/zinc/36/20/95/1136362095.db2.gz VRIWBAHJHAZZTH-FDKRGKGCSA-N 2 1 342.527 3.977 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000814172952 1136410140 /nfs/dbraw/zinc/41/01/40/1136410140.db2.gz FJIKDTZJOGRPPC-VTHDOGFWSA-N 2 1 326.484 3.854 20 0 EHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000853239933 1136520636 /nfs/dbraw/zinc/52/06/36/1136520636.db2.gz KLEMMBYVVLNATF-YLJYHZDGSA-N 2 1 328.500 3.784 20 0 EHADMP c1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240613 1136521670 /nfs/dbraw/zinc/52/16/70/1136521670.db2.gz PHZZKTPRPMNDNT-KNQAVFIVSA-N 2 1 342.527 3.866 20 0 EHADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1C[NH+]1CCCCC1 ZINC000854223997 1136599672 /nfs/dbraw/zinc/59/96/72/1136599672.db2.gz UPFVNCGTWWLLCE-KRWDZBQOSA-N 3 1 345.531 3.603 20 0 EHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3C)CC2)nc(C)[nH+]1 ZINC000815586522 1136615127 /nfs/dbraw/zinc/61/51/27/1136615127.db2.gz KWYOCMHUHNAQKG-OAHLLOKOSA-N 2 1 342.462 3.861 20 0 EHADMP [NH3+]C1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170798447 1136630822 /nfs/dbraw/zinc/63/08/22/1136630822.db2.gz ARFSTRMOEYMRDC-INIZCTEOSA-N 2 1 342.405 3.524 20 0 EHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)nc2Cl)CC1 ZINC000857024989 1136834214 /nfs/dbraw/zinc/83/42/14/1136834214.db2.gz QEMAOMHAUIFODB-OAHLLOKOSA-N 2 1 338.927 3.550 20 0 EHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2Cl)CC1 ZINC000857024989 1136834218 /nfs/dbraw/zinc/83/42/18/1136834218.db2.gz QEMAOMHAUIFODB-OAHLLOKOSA-N 2 1 338.927 3.550 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000817894626 1136843901 /nfs/dbraw/zinc/84/39/01/1136843901.db2.gz NYRUIJZVJOGEDG-WCQYABFASA-N 2 1 326.469 3.870 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897242 1136844006 /nfs/dbraw/zinc/84/40/06/1136844006.db2.gz IDMKGITUPQNBPZ-MRXNPFEDSA-N 3 1 344.547 3.544 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000817905517 1136845309 /nfs/dbraw/zinc/84/53/09/1136845309.db2.gz JJLNBEWDSGTUCM-PMPSAXMXSA-N 2 1 337.250 3.761 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818959583 1136895768 /nfs/dbraw/zinc/89/57/68/1136895768.db2.gz OFBJFWHJSYFJGA-KDOFPFPSSA-N 2 1 342.886 3.614 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857909815 1136920962 /nfs/dbraw/zinc/92/09/62/1136920962.db2.gz BSRZXCIQEYMGIU-YSVLISHTSA-N 2 1 333.907 3.965 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857909815 1136920966 /nfs/dbraw/zinc/92/09/66/1136920966.db2.gz BSRZXCIQEYMGIU-YSVLISHTSA-N 2 1 333.907 3.965 20 0 EHADMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858292201 1136955565 /nfs/dbraw/zinc/95/55/65/1136955565.db2.gz VXMZGRKXAKUGOI-UHFFFAOYSA-N 2 1 330.382 3.787 20 0 EHADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001136279882 1136966226 /nfs/dbraw/zinc/96/62/26/1136966226.db2.gz VPGUJCGJJGMGQW-FQEVSTJZSA-N 2 1 343.515 3.730 20 0 EHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859116949 1137003911 /nfs/dbraw/zinc/00/39/11/1137003911.db2.gz OJYBWNCKYDCLEE-UHFFFAOYSA-N 2 1 327.447 3.565 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cncc(C(F)(F)F)c2)cc1 ZINC000859213381 1137007811 /nfs/dbraw/zinc/00/78/11/1137007811.db2.gz WMLKNVOYPAQYLJ-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cncc(C(F)(F)F)c2)cc1 ZINC000859213381 1137007813 /nfs/dbraw/zinc/00/78/13/1137007813.db2.gz WMLKNVOYPAQYLJ-UHFFFAOYSA-N 2 1 337.389 3.794 20 0 EHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170968027 1137030489 /nfs/dbraw/zinc/03/04/89/1137030489.db2.gz AWUMBEBLYNRJJY-SFHVURJKSA-N 2 1 342.433 3.772 20 0 EHADMP CCCC[N@@H+](C)CC1CCN(Cc2ccnc(Cl)c2F)CC1 ZINC000823399679 1137098391 /nfs/dbraw/zinc/09/83/91/1137098391.db2.gz NWUPZLDABYDVOY-UHFFFAOYSA-N 2 1 327.875 3.818 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000823825514 1137114595 /nfs/dbraw/zinc/11/45/95/1137114595.db2.gz QULNELLEPDDIGV-UXHICEINSA-N 2 1 336.479 3.615 20 0 EHADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000823825514 1137114597 /nfs/dbraw/zinc/11/45/97/1137114597.db2.gz QULNELLEPDDIGV-UXHICEINSA-N 2 1 336.479 3.615 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000862280052 1137137211 /nfs/dbraw/zinc/13/72/11/1137137211.db2.gz FLLHSCPCNVRCBO-WBVHZDCISA-N 2 1 333.476 3.763 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000862280052 1137137213 /nfs/dbraw/zinc/13/72/13/1137137213.db2.gz FLLHSCPCNVRCBO-WBVHZDCISA-N 2 1 333.476 3.763 20 0 EHADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171063109 1137149757 /nfs/dbraw/zinc/14/97/57/1137149757.db2.gz LNSDPAVVLGSODZ-LSDHHAIUSA-N 2 1 327.299 3.925 20 0 EHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)c1 ZINC000865417474 1137281852 /nfs/dbraw/zinc/28/18/52/1137281852.db2.gz LZZZRUVGOUQYJJ-UHFFFAOYSA-N 2 1 339.439 3.665 20 0 EHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144418691 1137290352 /nfs/dbraw/zinc/29/03/52/1137290352.db2.gz MRQFBALPMLLGQL-UHFFFAOYSA-N 2 1 334.895 3.913 20 0 EHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC[C@H]3CCSC3)CC23CC3)cc1 ZINC000865650419 1137301576 /nfs/dbraw/zinc/30/15/76/1137301576.db2.gz CXZGSIGGTVMMDO-RBUKOAKNSA-N 2 1 330.541 3.916 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC[C@H]3CCSC3)CC23CC3)cc1 ZINC000865650419 1137301578 /nfs/dbraw/zinc/30/15/78/1137301578.db2.gz CXZGSIGGTVMMDO-RBUKOAKNSA-N 2 1 330.541 3.916 20 0 EHADMP c1ccc(CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230012 1137336886 /nfs/dbraw/zinc/33/68/86/1137336886.db2.gz VHTWGQGHAYWFRL-UGKGYDQZSA-N 2 1 335.495 3.829 20 0 EHADMP c1ccc(CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000866230012 1137336888 /nfs/dbraw/zinc/33/68/88/1137336888.db2.gz VHTWGQGHAYWFRL-UGKGYDQZSA-N 2 1 335.495 3.829 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000866237250 1137337667 /nfs/dbraw/zinc/33/76/67/1137337667.db2.gz GYUBBJACGMNHDD-OAQYLSRUSA-N 2 1 334.467 3.940 20 0 EHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866248454 1137339223 /nfs/dbraw/zinc/33/92/23/1137339223.db2.gz OXQCFPAHWKSPOP-QZTJIDSGSA-N 2 1 325.500 3.877 20 0 EHADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000846176518 1137339591 /nfs/dbraw/zinc/33/95/91/1137339591.db2.gz FWOMCSFJBPENPQ-QGZVFWFLSA-N 2 1 347.503 3.662 20 0 EHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000846176518 1137339593 /nfs/dbraw/zinc/33/95/93/1137339593.db2.gz FWOMCSFJBPENPQ-QGZVFWFLSA-N 2 1 347.503 3.662 20 0 EHADMP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846219026 1137342314 /nfs/dbraw/zinc/34/23/14/1137342314.db2.gz DBCPIIKPSQOVJC-INIZCTEOSA-N 2 1 330.394 3.598 20 0 EHADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846219026 1137342315 /nfs/dbraw/zinc/34/23/15/1137342315.db2.gz DBCPIIKPSQOVJC-INIZCTEOSA-N 2 1 330.394 3.598 20 0 EHADMP COc1c(F)ccc(F)c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001144754058 1137342817 /nfs/dbraw/zinc/34/28/17/1137342817.db2.gz CFJODUQSMQXDAT-UHFFFAOYSA-N 2 1 338.442 3.527 20 0 EHADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866413795 1137352785 /nfs/dbraw/zinc/35/27/85/1137352785.db2.gz WPAUEESXPVOBTP-KNKQGSTJSA-N 2 1 337.511 3.760 20 0 EHADMP Clc1cncc(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666987 1137372901 /nfs/dbraw/zinc/37/29/01/1137372901.db2.gz ZKAQBYGMDRUGGF-CHWSQXEVSA-N 2 1 328.287 3.600 20 0 EHADMP Clc1cncc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666987 1137372903 /nfs/dbraw/zinc/37/29/03/1137372903.db2.gz ZKAQBYGMDRUGGF-CHWSQXEVSA-N 2 1 328.287 3.600 20 0 EHADMP Cc1ncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000773078119 1137463686 /nfs/dbraw/zinc/46/36/86/1137463686.db2.gz VCZQUHQYONEVNK-QAPCUYQASA-N 2 1 329.513 3.637 20 0 EHADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716668321 1137488267 /nfs/dbraw/zinc/48/82/67/1137488267.db2.gz IVXPKDJNOLOLIW-DSYPUSFNSA-N 2 1 339.483 3.995 20 0 EHADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716668321 1137488269 /nfs/dbraw/zinc/48/82/69/1137488269.db2.gz IVXPKDJNOLOLIW-DSYPUSFNSA-N 2 1 339.483 3.995 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC001171469824 1137492622 /nfs/dbraw/zinc/49/26/22/1137492622.db2.gz JJIXMVXBAZKZLG-NRFANRHFSA-N 2 1 328.500 3.673 20 0 EHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC001171469824 1137492623 /nfs/dbraw/zinc/49/26/23/1137492623.db2.gz JJIXMVXBAZKZLG-NRFANRHFSA-N 2 1 328.500 3.673 20 0 EHADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505018 1137494740 /nfs/dbraw/zinc/49/47/40/1137494740.db2.gz BVNLSYRELFXEKF-HNNXBMFYSA-N 2 1 340.433 3.945 20 0 EHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H](C)C1 ZINC001171527545 1137496775 /nfs/dbraw/zinc/49/67/75/1137496775.db2.gz COUQGTSMHYMODO-SUYBPPKGSA-N 2 1 340.433 3.670 20 0 EHADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001171558989 1137497883 /nfs/dbraw/zinc/49/78/83/1137497883.db2.gz SEIULTSUBGEANK-GOSISDBHSA-N 2 1 338.470 3.941 20 0 EHADMP Cc1cccc2c1CC[C@@H](N(c1[nH+]cccc1C)C1CC[NH2+]CC1)C2 ZINC001171577660 1137499284 /nfs/dbraw/zinc/49/92/84/1137499284.db2.gz HIRIYURNBAMEPT-HXUWFJFHSA-N 2 1 335.495 3.814 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(C(F)(F)F)nc2)CC1(C)C ZINC001171619552 1137500900 /nfs/dbraw/zinc/50/09/00/1137500900.db2.gz OUAIKGSFJHLILC-UHFFFAOYSA-N 2 1 329.410 3.841 20 0 EHADMP COC(=O)c1cccc([C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171623829 1137501217 /nfs/dbraw/zinc/50/12/17/1137501217.db2.gz HIHLUVWYPBULQH-CQSZACIVSA-N 2 1 332.488 3.775 20 0 EHADMP COc1ccc([C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C2CC2)nc1 ZINC001171627117 1137501229 /nfs/dbraw/zinc/50/12/29/1137501229.db2.gz KRCVIUWOWGAZHG-GOSISDBHSA-N 2 1 331.504 3.782 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]2COCc2ccccc2)CC1(C)C ZINC001171635996 1137504368 /nfs/dbraw/zinc/50/43/68/1137504368.db2.gz BSBNDIVIQFGRES-SFHVURJKSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@H]1C[C@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC001171725296 1137506505 /nfs/dbraw/zinc/50/65/05/1137506505.db2.gz ISNXUBYZMMAOGU-UGSOOPFHSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@H]1C[C@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC001171725296 1137506507 /nfs/dbraw/zinc/50/65/07/1137506507.db2.gz ISNXUBYZMMAOGU-UGSOOPFHSA-N 2 1 329.394 3.543 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171754284 1137508502 /nfs/dbraw/zinc/50/85/02/1137508502.db2.gz BLZQKOBGHGBESQ-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001171754284 1137508503 /nfs/dbraw/zinc/50/85/03/1137508503.db2.gz BLZQKOBGHGBESQ-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@H+](C)[C@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754284 1137508504 /nfs/dbraw/zinc/50/85/04/1137508504.db2.gz BLZQKOBGHGBESQ-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP C[C@@H]1C[C@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171754284 1137508505 /nfs/dbraw/zinc/50/85/05/1137508505.db2.gz BLZQKOBGHGBESQ-OIBXWCBGSA-N 2 1 349.522 3.638 20 0 EHADMP CC(C)[N@@H+]([C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171738381 1137510820 /nfs/dbraw/zinc/51/08/20/1137510820.db2.gz IOICFCICXNVHBX-ZIBCJSCZSA-N 2 1 329.532 3.630 20 0 EHADMP CC(C)[N@@H+]([C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171738380 1137510970 /nfs/dbraw/zinc/51/09/70/1137510970.db2.gz IOICFCICXNVHBX-WLRLJWMZSA-N 2 1 329.532 3.630 20 0 EHADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171962705 1137519759 /nfs/dbraw/zinc/51/97/59/1137519759.db2.gz CMLRSVDLHOHHAW-FQEVSTJZSA-N 2 1 331.548 3.751 20 0 EHADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962705 1137519760 /nfs/dbraw/zinc/51/97/60/1137519760.db2.gz CMLRSVDLHOHHAW-FQEVSTJZSA-N 2 1 331.548 3.751 20 0 EHADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962705 1137519762 /nfs/dbraw/zinc/51/97/62/1137519762.db2.gz CMLRSVDLHOHHAW-FQEVSTJZSA-N 2 1 331.548 3.751 20 0 EHADMP C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171967832 1137520880 /nfs/dbraw/zinc/52/08/80/1137520880.db2.gz NNOVJHINXDMKFI-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967832 1137520881 /nfs/dbraw/zinc/52/08/81/1137520881.db2.gz NNOVJHINXDMKFI-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967832 1137520882 /nfs/dbraw/zinc/52/08/82/1137520882.db2.gz NNOVJHINXDMKFI-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967832 1137520883 /nfs/dbraw/zinc/52/08/83/1137520883.db2.gz NNOVJHINXDMKFI-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP CN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967832 1137520884 /nfs/dbraw/zinc/52/08/84/1137520884.db2.gz NNOVJHINXDMKFI-VQTJNVASSA-N 2 1 329.532 3.504 20 0 EHADMP CC1(C)C[C@@H]([NH2+]CCC2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974165 1137524653 /nfs/dbraw/zinc/52/46/53/1137524653.db2.gz CQGFCHHYFJCNNB-CKHPTIKVSA-N 2 1 344.543 3.960 20 0 EHADMP CC1(C)C[C@H]([NH2+]CCC2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974166 1137524864 /nfs/dbraw/zinc/52/48/64/1137524864.db2.gz CQGFCHHYFJCNNB-VEDCXYSMSA-N 2 1 344.543 3.960 20 0 EHADMP CC1(C)C[C@H](N[C@H]2CC[NH+](C3CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979658 1137525708 /nfs/dbraw/zinc/52/57/08/1137525708.db2.gz MUQKPPMHWZAZNC-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)C[C@H](N[C@H]2CC[N@@H+](C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979658 1137525709 /nfs/dbraw/zinc/52/57/09/1137525709.db2.gz MUQKPPMHWZAZNC-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)C[C@H](N[C@H]2CC[N@H+](C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171979658 1137525711 /nfs/dbraw/zinc/52/57/11/1137525711.db2.gz MUQKPPMHWZAZNC-UXHICEINSA-N 2 1 341.543 3.646 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H](CO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC001171982777 1137526751 /nfs/dbraw/zinc/52/67/51/1137526751.db2.gz LBQPBDYDCQEDGV-ZWKOTPCHSA-N 2 1 344.524 3.814 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H](CO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC001171982777 1137526752 /nfs/dbraw/zinc/52/67/52/1137526752.db2.gz LBQPBDYDCQEDGV-ZWKOTPCHSA-N 2 1 344.524 3.814 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H](CO)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC001171982774 1137526756 /nfs/dbraw/zinc/52/67/56/1137526756.db2.gz LBQPBDYDCQEDGV-QZTJIDSGSA-N 2 1 344.524 3.814 20 0 EHADMP CC1(C)C[C@H]([NH2+][C@H](CO)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC001171982774 1137526757 /nfs/dbraw/zinc/52/67/57/1137526757.db2.gz LBQPBDYDCQEDGV-QZTJIDSGSA-N 2 1 344.524 3.814 20 0 EHADMP CCCO[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985557 1137527319 /nfs/dbraw/zinc/52/73/19/1137527319.db2.gz XWRHYCKRRVVUEI-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985557 1137527321 /nfs/dbraw/zinc/52/73/21/1137527321.db2.gz XWRHYCKRRVVUEI-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP CCCO[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985557 1137527323 /nfs/dbraw/zinc/52/73/23/1137527323.db2.gz XWRHYCKRRVVUEI-PMACEKPBSA-N 2 1 330.516 3.931 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984288 1137527570 /nfs/dbraw/zinc/52/75/70/1137527570.db2.gz UNPDWZJZOLLRLW-LPHOPBHVSA-N 2 1 326.488 3.514 20 0 EHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC001171984288 1137527572 /nfs/dbraw/zinc/52/75/72/1137527572.db2.gz UNPDWZJZOLLRLW-LPHOPBHVSA-N 2 1 326.488 3.514 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060590 1137528629 /nfs/dbraw/zinc/52/86/29/1137528629.db2.gz BDQIMHRIGVAFSI-DKUWSORSSA-N 3 1 343.559 3.894 20 0 EHADMP C[NH+](C)CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172060590 1137528631 /nfs/dbraw/zinc/52/86/31/1137528631.db2.gz BDQIMHRIGVAFSI-DKUWSORSSA-N 2 1 343.559 3.894 20 0 EHADMP CCC1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074245 1137529882 /nfs/dbraw/zinc/52/98/82/1137529882.db2.gz GNUMMDGBCPDQAK-AERCQKQUSA-N 2 1 342.527 3.809 20 0 EHADMP C[NH+](C)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076506 1137530634 /nfs/dbraw/zinc/53/06/34/1137530634.db2.gz DTKLISNGUCSBBR-KOUNCHBCSA-N 2 1 341.543 3.598 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079704 1137530939 /nfs/dbraw/zinc/53/09/39/1137530939.db2.gz POSXJMVDDGCTRD-IWTFSIHTSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079704 1137530941 /nfs/dbraw/zinc/53/09/41/1137530941.db2.gz POSXJMVDDGCTRD-IWTFSIHTSA-N 2 1 341.543 3.502 20 0 EHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079704 1137530943 /nfs/dbraw/zinc/53/09/43/1137530943.db2.gz POSXJMVDDGCTRD-IWTFSIHTSA-N 2 1 341.543 3.502 20 0 EHADMP CCOC(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OCC ZINC001172061364 1137533248 /nfs/dbraw/zinc/53/32/48/1137533248.db2.gz GPTKBSFQIPODAI-OWZKRDHZSA-N 2 1 346.515 3.561 20 0 EHADMP CCOC(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCC ZINC001172061364 1137533249 /nfs/dbraw/zinc/53/32/49/1137533249.db2.gz GPTKBSFQIPODAI-OWZKRDHZSA-N 2 1 346.515 3.561 20 0 EHADMP CCOC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065160 1137533556 /nfs/dbraw/zinc/53/35/56/1137533556.db2.gz LXCDAIPMLIAOBN-RSPOEFSDSA-N 2 1 344.499 3.503 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067038 1137533808 /nfs/dbraw/zinc/53/38/08/1137533808.db2.gz AAZXKPIRGGXNCZ-AERCQKQUSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067038 1137533809 /nfs/dbraw/zinc/53/38/09/1137533809.db2.gz AAZXKPIRGGXNCZ-AERCQKQUSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067038 1137533810 /nfs/dbraw/zinc/53/38/10/1137533810.db2.gz AAZXKPIRGGXNCZ-AERCQKQUSA-N 2 1 340.511 3.685 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCCC4(COC4)C2)C3)cc1 ZINC001172067038 1137533811 /nfs/dbraw/zinc/53/38/11/1137533811.db2.gz AAZXKPIRGGXNCZ-AERCQKQUSA-N 2 1 340.511 3.685 20 0 EHADMP O[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066605 1137533866 /nfs/dbraw/zinc/53/38/66/1137533866.db2.gz CCVWSMONBKUNJZ-NJEYBQTFSA-N 2 1 342.527 3.713 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128103 1137534734 /nfs/dbraw/zinc/53/47/34/1137534734.db2.gz OVDPDMDCAMKJMF-IJTOGUNISA-N 2 1 348.494 3.532 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128103 1137534736 /nfs/dbraw/zinc/53/47/36/1137534736.db2.gz OVDPDMDCAMKJMF-IJTOGUNISA-N 2 1 348.494 3.532 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128103 1137534737 /nfs/dbraw/zinc/53/47/37/1137534737.db2.gz OVDPDMDCAMKJMF-IJTOGUNISA-N 2 1 348.494 3.532 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OCCc1ccccc13)C2 ZINC001172127135 1137535248 /nfs/dbraw/zinc/53/52/48/1137535248.db2.gz GXUKJONGIRLXOH-PMOLBWCYSA-N 2 1 340.511 3.566 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110982 1137537106 /nfs/dbraw/zinc/53/71/06/1137537106.db2.gz NGYUNHYTPDXLPR-LDLYASANSA-N 2 1 348.918 3.951 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110982 1137537107 /nfs/dbraw/zinc/53/71/07/1137537107.db2.gz NGYUNHYTPDXLPR-LDLYASANSA-N 2 1 348.918 3.951 20 0 EHADMP COc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172111314 1137537700 /nfs/dbraw/zinc/53/77/00/1137537700.db2.gz PXYIZUZPHPEOKE-LDLYASANSA-N 2 1 328.500 3.765 20 0 EHADMP COc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172111314 1137537702 /nfs/dbraw/zinc/53/77/02/1137537702.db2.gz PXYIZUZPHPEOKE-LDLYASANSA-N 2 1 328.500 3.765 20 0 EHADMP C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113988 1137538461 /nfs/dbraw/zinc/53/84/61/1137538461.db2.gz NHGYZWDZRDNRGH-ZSHCYNCHSA-N 2 1 341.421 3.590 20 0 EHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113988 1137538462 /nfs/dbraw/zinc/53/84/62/1137538462.db2.gz NHGYZWDZRDNRGH-ZSHCYNCHSA-N 2 1 341.421 3.590 20 0 EHADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113988 1137538463 /nfs/dbraw/zinc/53/84/63/1137538463.db2.gz NHGYZWDZRDNRGH-ZSHCYNCHSA-N 2 1 341.421 3.590 20 0 EHADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113988 1137538464 /nfs/dbraw/zinc/53/84/64/1137538464.db2.gz NHGYZWDZRDNRGH-ZSHCYNCHSA-N 2 1 341.421 3.590 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Sc3ccncc3)CC1)C2 ZINC001172123634 1137538758 /nfs/dbraw/zinc/53/87/58/1137538758.db2.gz HFVZCXDWDNMTAL-FVQHAEBGSA-N 2 1 331.529 3.653 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Sc3ccncc3)CC1)C2 ZINC001172123634 1137538760 /nfs/dbraw/zinc/53/87/60/1137538760.db2.gz HFVZCXDWDNMTAL-FVQHAEBGSA-N 2 1 331.529 3.653 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CSc4ccccc4C3)C2)cc1 ZINC001172190069 1137539611 /nfs/dbraw/zinc/53/96/11/1137539611.db2.gz IXAROKQYCPHYGA-QUCCMNQESA-N 2 1 338.520 3.815 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172283762 1137547790 /nfs/dbraw/zinc/54/77/90/1137547790.db2.gz LDNJXFWTTGZDEF-WMZOPIPTSA-N 2 1 332.488 3.524 20 0 EHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172283756 1137547802 /nfs/dbraw/zinc/54/78/02/1137547802.db2.gz LDNJXFWTTGZDEF-AEFFLSMTSA-N 2 1 332.488 3.524 20 0 EHADMP CC[C@H](C)OCC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172330454 1137550949 /nfs/dbraw/zinc/55/09/49/1137550949.db2.gz NCOBGGPZXVURRS-BZSNNMDCSA-N 2 1 340.552 3.592 20 0 EHADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C[C@@H]1C ZINC001172367781 1137555140 /nfs/dbraw/zinc/55/51/40/1137555140.db2.gz NEGTUOLWDHUESY-HVYFLLBWSA-N 2 1 347.591 3.740 20 0 EHADMP CC[C@@H](CC(C)C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001172403456 1137555175 /nfs/dbraw/zinc/55/51/75/1137555175.db2.gz SRYHELLJINVLAZ-IBGZPJMESA-N 2 1 334.504 3.771 20 0 EHADMP CC[C@@H](CC(C)C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001172403456 1137555177 /nfs/dbraw/zinc/55/51/77/1137555177.db2.gz SRYHELLJINVLAZ-IBGZPJMESA-N 2 1 334.504 3.771 20 0 EHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CCCC2 ZINC000872026012 1137565890 /nfs/dbraw/zinc/56/58/90/1137565890.db2.gz XQXHXCQKPRKIHA-SFHVURJKSA-N 2 1 343.471 3.656 20 0 EHADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000872044367 1137567313 /nfs/dbraw/zinc/56/73/13/1137567313.db2.gz AKVWIWCXXYVZKJ-HNNXBMFYSA-N 2 1 336.442 3.732 20 0 EHADMP CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872069284 1137569400 /nfs/dbraw/zinc/56/94/00/1137569400.db2.gz OLHTUCMRGIPLIW-HKBOAZHASA-N 2 1 330.516 3.693 20 0 EHADMP Brc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000872107390 1137571420 /nfs/dbraw/zinc/57/14/20/1137571420.db2.gz QBXLTCNGEHEUNK-IAGOWNOFSA-N 2 1 349.316 3.697 20 0 EHADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000872157344 1137574361 /nfs/dbraw/zinc/57/43/61/1137574361.db2.gz KUADLCZJKSNWIY-GOSISDBHSA-N 2 1 334.529 3.565 20 0 EHADMP c1c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)sc2c1C[NH2+]CC2 ZINC000873203964 1137593953 /nfs/dbraw/zinc/59/39/53/1137593953.db2.gz VAJOZXAOJGUTMH-SFHVURJKSA-N 2 1 342.508 3.575 20 0 EHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)C1CCCC1 ZINC000873232518 1137594447 /nfs/dbraw/zinc/59/44/47/1137594447.db2.gz SBPQGEHSBBXFSL-BEFAXECRSA-N 3 1 347.572 3.513 20 0 EHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CC1(F)F ZINC000876866888 1137664181 /nfs/dbraw/zinc/66/41/81/1137664181.db2.gz MDSPCXVEZWTJBA-RDTXWAMCSA-N 2 1 337.458 3.920 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC(C)(C)Oc2ccccc2)cn1 ZINC000876951363 1137666143 /nfs/dbraw/zinc/66/61/43/1137666143.db2.gz LJRQMTWLFGCOOB-UHFFFAOYSA-N 2 1 336.439 3.523 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876964129 1137666452 /nfs/dbraw/zinc/66/64/52/1137666452.db2.gz TUEJJQQNAAJIDB-VVBPWWLESA-N 2 1 332.469 3.810 20 0 EHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000876964129 1137666453 /nfs/dbraw/zinc/66/64/53/1137666453.db2.gz TUEJJQQNAAJIDB-VVBPWWLESA-N 2 1 332.469 3.810 20 0 EHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000877524916 1137679520 /nfs/dbraw/zinc/67/95/20/1137679520.db2.gz KOEMVOGVSVKEBA-ROUUACIJSA-N 2 1 325.500 3.876 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529937 1137679961 /nfs/dbraw/zinc/67/99/61/1137679961.db2.gz ABFXNWMHZZLQHK-MAUKXSAKSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529937 1137679962 /nfs/dbraw/zinc/67/99/62/1137679962.db2.gz ABFXNWMHZZLQHK-MAUKXSAKSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529937 1137679963 /nfs/dbraw/zinc/67/99/63/1137679963.db2.gz ABFXNWMHZZLQHK-MAUKXSAKSA-N 2 1 347.503 3.806 20 0 EHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529937 1137679964 /nfs/dbraw/zinc/67/99/64/1137679964.db2.gz ABFXNWMHZZLQHK-MAUKXSAKSA-N 2 1 347.503 3.806 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC[N@@H+]2C2CC2)cc1 ZINC000877804844 1137690465 /nfs/dbraw/zinc/69/04/65/1137690465.db2.gz FHEWIPWGEBIPJR-BJKUESEOSA-N 2 1 340.511 3.902 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC[N@H+]2C2CC2)cc1 ZINC000877804844 1137690466 /nfs/dbraw/zinc/69/04/66/1137690466.db2.gz FHEWIPWGEBIPJR-BJKUESEOSA-N 2 1 340.511 3.902 20 0 EHADMP CC(C)C[N@H+](Cc1nc(-c2ccsc2)no1)CC1CC[NH+](C)CC1 ZINC000879702143 1137755707 /nfs/dbraw/zinc/75/57/07/1137755707.db2.gz HOAACIGCTMTPAD-UHFFFAOYSA-N 2 1 348.516 3.598 20 0 EHADMP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1sccc1Cl ZINC000883172571 1137847051 /nfs/dbraw/zinc/84/70/51/1137847051.db2.gz MCXKASGHSPPUIL-MRXNPFEDSA-N 2 1 343.968 3.860 20 0 EHADMP Fc1ccc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCOCC2)cc1 ZINC000883220121 1137849265 /nfs/dbraw/zinc/84/92/65/1137849265.db2.gz DYZOBDSGEALUKA-CBNMVNINSA-N 2 1 346.490 3.900 20 0 EHADMP C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000883326060 1137854993 /nfs/dbraw/zinc/85/49/93/1137854993.db2.gz RGXMWPZDUMMALO-CQSZACIVSA-N 2 1 348.874 3.837 20 0 EHADMP Cc1cnc(=S)n(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000133753215 1137909603 /nfs/dbraw/zinc/90/96/03/1137909603.db2.gz WTXLZVDMPPEUPC-QGZVFWFLSA-N 2 1 348.560 3.855 20 0 EHADMP Cc1cnc(=S)n(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000133753215 1137909604 /nfs/dbraw/zinc/90/96/04/1137909604.db2.gz WTXLZVDMPPEUPC-QGZVFWFLSA-N 2 1 348.560 3.855 20 0 EHADMP Clc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886507252 1138086125 /nfs/dbraw/zinc/08/61/25/1138086125.db2.gz CHXQKTDBJPTIFA-FHWLQOOXSA-N 2 1 341.886 3.878 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000886587901 1138100080 /nfs/dbraw/zinc/10/00/80/1138100080.db2.gz IALSKOJWVRFCGC-NQOGSSOHSA-N 2 1 342.527 3.834 20 0 EHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818171 1138148851 /nfs/dbraw/zinc/14/88/51/1138148851.db2.gz BIGLXICAECVVIK-NHCUHLMSSA-N 2 1 328.500 3.673 20 0 EHADMP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000093398284 1138237057 /nfs/dbraw/zinc/23/70/57/1138237057.db2.gz OMPNHBRUKHZDIN-DOTOQJQBSA-N 2 1 343.519 3.509 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CCN1C ZINC000093645052 1138239288 /nfs/dbraw/zinc/23/92/88/1138239288.db2.gz ADFJKPBBWCCMCQ-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645052 1138239290 /nfs/dbraw/zinc/23/92/90/1138239290.db2.gz ADFJKPBBWCCMCQ-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H](N(C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645052 1138239292 /nfs/dbraw/zinc/23/92/92/1138239292.db2.gz ADFJKPBBWCCMCQ-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@@H+]1C ZINC000093645052 1138239294 /nfs/dbraw/zinc/23/92/94/1138239294.db2.gz ADFJKPBBWCCMCQ-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000093645052 1138239295 /nfs/dbraw/zinc/23/92/95/1138239295.db2.gz ADFJKPBBWCCMCQ-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645052 1138239297 /nfs/dbraw/zinc/23/92/97/1138239297.db2.gz ADFJKPBBWCCMCQ-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CC[NH+]1C ZINC000093645052 1138239298 /nfs/dbraw/zinc/23/92/98/1138239298.db2.gz ADFJKPBBWCCMCQ-FXAWDEMLSA-N 2 1 339.483 3.575 20 0 EHADMP CC(C)n1cc([C@@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000122807530 1138262134 /nfs/dbraw/zinc/26/21/34/1138262134.db2.gz WCKBRLNKEXORKL-QGZVFWFLSA-N 2 1 326.488 3.563 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H](C)C1 ZINC000126021360 1138321851 /nfs/dbraw/zinc/32/18/51/1138321851.db2.gz FNBGDRPEONXGIN-OXQOHEQNSA-N 2 1 343.515 3.635 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H](C)C1 ZINC000126021360 1138321856 /nfs/dbraw/zinc/32/18/56/1138321856.db2.gz FNBGDRPEONXGIN-OXQOHEQNSA-N 2 1 343.515 3.635 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000126842849 1138340283 /nfs/dbraw/zinc/34/02/83/1138340283.db2.gz BCVQXHRTQFFIRF-HZPDHXFCSA-N 2 1 332.517 3.527 20 0 EHADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000126842849 1138340285 /nfs/dbraw/zinc/34/02/85/1138340285.db2.gz BCVQXHRTQFFIRF-HZPDHXFCSA-N 2 1 332.517 3.527 20 0 EHADMP COc1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1C ZINC000337393371 1138554705 /nfs/dbraw/zinc/55/47/05/1138554705.db2.gz OMHNMNYBPNNDHJ-GOSISDBHSA-N 2 1 339.483 3.916 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000132999610 1138615737 /nfs/dbraw/zinc/61/57/37/1138615737.db2.gz FCBRJSRGEQCMAK-KGLIPLIRSA-N 2 1 340.870 3.631 20 0 EHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2nccn21 ZINC000337825102 1138676744 /nfs/dbraw/zinc/67/67/44/1138676744.db2.gz SLGDYKMNMYMPRC-HXUWFJFHSA-N 2 1 348.494 3.725 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2nccn21 ZINC000337825102 1138676746 /nfs/dbraw/zinc/67/67/46/1138676746.db2.gz SLGDYKMNMYMPRC-HXUWFJFHSA-N 2 1 348.494 3.725 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000337952118 1138706567 /nfs/dbraw/zinc/70/65/67/1138706567.db2.gz XRNJTWAFSVAYFX-UHFFFAOYSA-N 2 1 331.366 3.910 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCO[C@H]2CCCCO2)cc1 ZINC000338279837 1138813376 /nfs/dbraw/zinc/81/33/76/1138813376.db2.gz GRWIOBHVMWJAHI-JXFKEZNVSA-N 2 1 343.471 3.765 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000338279656 1138814203 /nfs/dbraw/zinc/81/42/03/1138814203.db2.gz ABPLVUYNCJDOQV-SFHVURJKSA-N 2 1 328.504 3.541 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152472168 1139092984 /nfs/dbraw/zinc/09/29/84/1139092984.db2.gz FIGMFJNRMCESCT-VXGBXAGGSA-N 2 1 328.378 3.562 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000152472168 1139092992 /nfs/dbraw/zinc/09/29/92/1139092992.db2.gz FIGMFJNRMCESCT-VXGBXAGGSA-N 2 1 328.378 3.562 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000173821903 1139380038 /nfs/dbraw/zinc/38/00/38/1139380038.db2.gz DCJRGTOVPPOTPE-INIZCTEOSA-N 2 1 328.431 3.509 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1 ZINC000173902999 1139386375 /nfs/dbraw/zinc/38/63/75/1139386375.db2.gz UINVCBIUWFKBPX-KSZLIROESA-N 2 1 339.483 3.542 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000175013759 1139457353 /nfs/dbraw/zinc/45/73/53/1139457353.db2.gz HMFSHOCIXCICMH-PMACEKPBSA-N 2 1 339.483 3.623 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000176494972 1139560809 /nfs/dbraw/zinc/56/08/09/1139560809.db2.gz IBDZIKQCGGZHHF-ZDUSSCGKSA-N 2 1 343.862 3.661 20 0 EHADMP CC[N@H+](C)[C@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000177327097 1139613174 /nfs/dbraw/zinc/61/31/74/1139613174.db2.gz GBEGQBXTICYWDS-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000177327097 1139613179 /nfs/dbraw/zinc/61/31/79/1139613179.db2.gz GBEGQBXTICYWDS-FQEVSTJZSA-N 2 1 339.483 3.688 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120106 1139736143 /nfs/dbraw/zinc/73/61/43/1139736143.db2.gz QEACOJRNADGJGY-AEFFLSMTSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000179120106 1139736150 /nfs/dbraw/zinc/73/61/50/1139736150.db2.gz QEACOJRNADGJGY-AEFFLSMTSA-N 2 1 343.902 3.950 20 0 EHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)[C@H](C)C1 ZINC000179126992 1139736825 /nfs/dbraw/zinc/73/68/25/1139736825.db2.gz TVQDUVAFGPKYNL-VYDXJSESSA-N 2 1 339.911 3.523 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)[C@H](C)C1 ZINC000179126992 1139736831 /nfs/dbraw/zinc/73/68/31/1139736831.db2.gz TVQDUVAFGPKYNL-VYDXJSESSA-N 2 1 339.911 3.523 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000181573933 1139916146 /nfs/dbraw/zinc/91/61/46/1139916146.db2.gz GOQPYLWLIRCEKC-IPELMVKDSA-N 2 1 343.446 3.613 20 0 EHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181705753 1139926311 /nfs/dbraw/zinc/92/63/11/1139926311.db2.gz JOYANFZPIUXSKE-OAHLLOKOSA-N 2 1 349.906 3.764 20 0 EHADMP Brc1cccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182271701 1139962204 /nfs/dbraw/zinc/96/22/04/1139962204.db2.gz HFHVABOELNWGQT-HZPDHXFCSA-N 2 1 335.289 3.655 20 0 EHADMP Brc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182271701 1139962208 /nfs/dbraw/zinc/96/22/08/1139962208.db2.gz HFHVABOELNWGQT-HZPDHXFCSA-N 2 1 335.289 3.655 20 0 EHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000183185501 1140018118 /nfs/dbraw/zinc/01/81/18/1140018118.db2.gz QAPPRPANFXOMNH-SOLBZPMBSA-N 2 1 344.499 3.761 20 0 EHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000183244103 1140023507 /nfs/dbraw/zinc/02/35/07/1140023507.db2.gz WFZXLBNFSPIJPK-ZNMIVQPWSA-N 2 1 326.431 3.505 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000268756727 1140984459 /nfs/dbraw/zinc/98/44/59/1140984459.db2.gz LYIHMCMKTMZWKX-VLIAUNLRSA-N 2 1 339.414 3.704 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507118 1141233811 /nfs/dbraw/zinc/23/38/11/1141233811.db2.gz ORPVXVVVWAIENL-SJLPKXTDSA-N 2 1 344.524 3.803 20 0 EHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(CO)c1 ZINC000270507118 1141233814 /nfs/dbraw/zinc/23/38/14/1141233814.db2.gz ORPVXVVVWAIENL-SJLPKXTDSA-N 2 1 344.524 3.803 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000270512331 1141234378 /nfs/dbraw/zinc/23/43/78/1141234378.db2.gz PRVXTTINIIMTKY-QNDFHXLGSA-N 2 1 340.511 3.587 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000270512331 1141234382 /nfs/dbraw/zinc/23/43/82/1141234382.db2.gz PRVXTTINIIMTKY-QNDFHXLGSA-N 2 1 340.511 3.587 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000339185215 1141521892 /nfs/dbraw/zinc/52/18/92/1141521892.db2.gz XHBJVJMSOWQYCG-INIZCTEOSA-N 2 1 327.472 3.901 20 0 EHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000339185215 1141521896 /nfs/dbraw/zinc/52/18/96/1141521896.db2.gz XHBJVJMSOWQYCG-INIZCTEOSA-N 2 1 327.472 3.901 20 0 EHADMP c1[nH]nc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631581 1141557326 /nfs/dbraw/zinc/55/73/26/1141557326.db2.gz DWDAPLKKQWDMTC-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631581 1141557333 /nfs/dbraw/zinc/55/73/33/1141557333.db2.gz DWDAPLKKQWDMTC-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631581 1141557341 /nfs/dbraw/zinc/55/73/41/1141557341.db2.gz DWDAPLKKQWDMTC-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP c1[nH]nc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc12 ZINC000348631581 1141557347 /nfs/dbraw/zinc/55/73/47/1141557347.db2.gz DWDAPLKKQWDMTC-JOCHJYFZSA-N 2 1 346.478 3.661 20 0 EHADMP CCc1ncc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000348636530 1141558794 /nfs/dbraw/zinc/55/87/94/1141558794.db2.gz RCPRJJCQTWYTIY-HXUWFJFHSA-N 2 1 341.524 3.804 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283352683 1141606136 /nfs/dbraw/zinc/60/61/36/1141606136.db2.gz MMRVZUVBEAKRNY-GIVPXCGWSA-N 2 1 342.527 3.803 20 0 EHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000349135315 1141643599 /nfs/dbraw/zinc/64/35/99/1141643599.db2.gz YIBFOCHIKUULFD-LJQANCHMSA-N 2 1 338.499 3.549 20 0 EHADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000349145312 1141645011 /nfs/dbraw/zinc/64/50/11/1141645011.db2.gz SDPHJOSWAVKNNY-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000349145312 1141645013 /nfs/dbraw/zinc/64/50/13/1141645013.db2.gz SDPHJOSWAVKNNY-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000349145312 1141645018 /nfs/dbraw/zinc/64/50/18/1141645018.db2.gz SDPHJOSWAVKNNY-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644535 213161365 /nfs/dbraw/zinc/16/13/65/213161365.db2.gz CALFKPXLIVFULZ-BBRMVZONSA-N 2 1 325.294 3.832 20 0 EHADMP C[NH2+]CCC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000234354302 521985066 /nfs/dbraw/zinc/98/50/66/521985066.db2.gz IXBAHQTYDQLWOP-UHFFFAOYSA-N 2 1 345.712 3.924 20 0 EHADMP Cn1ccc2c1cc[nH+]c2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621025 719067224 /nfs/dbraw/zinc/06/72/24/719067224.db2.gz GJDRGJWHRRIVGG-GHTZIAJQSA-N 2 1 346.478 3.674 20 0 EHADMP Cc1cccc(C)c1OC[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000459396431 1032062448 /nfs/dbraw/zinc/06/24/48/1032062448.db2.gz IPQRFNZOZBZRIT-GOSISDBHSA-N 2 1 329.488 3.663 20 0 EHADMP Cc1cc(Cl)cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000339292544 1014170757 /nfs/dbraw/zinc/17/07/57/1014170757.db2.gz FAFHEVYWMYXRLD-UHFFFAOYSA-N 2 1 344.890 3.814 20 0 EHADMP CO[C@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000339407504 1014369094 /nfs/dbraw/zinc/36/90/94/1014369094.db2.gz ODSZIUYICJXACI-CABCVRRESA-N 2 1 345.314 3.754 20 0 EHADMP CO[C@H]1CC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000339407504 1014369108 /nfs/dbraw/zinc/36/91/08/1014369108.db2.gz ODSZIUYICJXACI-CABCVRRESA-N 2 1 345.314 3.754 20 0 EHADMP COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000643546445 1014481348 /nfs/dbraw/zinc/48/13/48/1014481348.db2.gz OYRCPPKEGAWDHY-CHWSQXEVSA-N 2 1 338.879 3.683 20 0 EHADMP Oc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836847 1015141538 /nfs/dbraw/zinc/14/15/38/1015141538.db2.gz YRWDWAGSVRHYNI-HXUWFJFHSA-N 2 1 336.479 3.722 20 0 EHADMP Oc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836847 1015141544 /nfs/dbraw/zinc/14/15/44/1015141544.db2.gz YRWDWAGSVRHYNI-HXUWFJFHSA-N 2 1 336.479 3.722 20 0 EHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@H]1c1cccs1 ZINC000459430420 1032115323 /nfs/dbraw/zinc/11/53/23/1032115323.db2.gz LBEMUVFCKYTTJJ-WMZOPIPTSA-N 2 1 342.512 3.588 20 0 EHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@H]1c1cccs1 ZINC000459430420 1032115333 /nfs/dbraw/zinc/11/53/33/1032115333.db2.gz LBEMUVFCKYTTJJ-WMZOPIPTSA-N 2 1 342.512 3.588 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179495804 1015403405 /nfs/dbraw/zinc/40/34/05/1015403405.db2.gz OBWGCXOBKLRUQE-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000179495804 1015403410 /nfs/dbraw/zinc/40/34/10/1015403410.db2.gz OBWGCXOBKLRUQE-CQSZACIVSA-N 2 1 348.878 3.502 20 0 EHADMP C[C@H](NC1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865620 1015524051 /nfs/dbraw/zinc/52/40/51/1015524051.db2.gz DUNXLSBHEFUYHM-ICSRJNTNSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274865620 1015524060 /nfs/dbraw/zinc/52/40/60/1015524060.db2.gz DUNXLSBHEFUYHM-ICSRJNTNSA-N 3 1 341.543 3.504 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865620 1015524070 /nfs/dbraw/zinc/52/40/70/1015524070.db2.gz DUNXLSBHEFUYHM-ICSRJNTNSA-N 3 1 341.543 3.504 20 0 EHADMP CCC(CC)(CCO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274876076 1015563250 /nfs/dbraw/zinc/56/32/50/1015563250.db2.gz GPGNVOZQRRWAKA-QUCCMNQESA-N 2 1 332.532 3.675 20 0 EHADMP C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949027 1015669609 /nfs/dbraw/zinc/66/96/09/1015669609.db2.gz UXRVKJMYIYZVAX-PKOBYXMFSA-N 2 1 343.559 3.796 20 0 EHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274949027 1015669614 /nfs/dbraw/zinc/66/96/14/1015669614.db2.gz UXRVKJMYIYZVAX-PKOBYXMFSA-N 3 1 343.559 3.796 20 0 EHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274949027 1015669618 /nfs/dbraw/zinc/66/96/18/1015669618.db2.gz UXRVKJMYIYZVAX-PKOBYXMFSA-N 3 1 343.559 3.796 20 0 EHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547732833 1015686171 /nfs/dbraw/zinc/68/61/71/1015686171.db2.gz BGTAJYBHEAFPBE-WSTZPKSXSA-N 2 1 349.563 3.505 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547732833 1015686172 /nfs/dbraw/zinc/68/61/72/1015686172.db2.gz BGTAJYBHEAFPBE-WSTZPKSXSA-N 2 1 349.563 3.505 20 0 EHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547732833 1015686177 /nfs/dbraw/zinc/68/61/77/1015686177.db2.gz BGTAJYBHEAFPBE-WSTZPKSXSA-N 2 1 349.563 3.505 20 0 EHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000182788023 1032131194 /nfs/dbraw/zinc/13/11/94/1032131194.db2.gz JCNCZTPIWWPQTD-UHFFFAOYSA-N 2 1 346.475 3.664 20 0 EHADMP COCC[NH+]1CCC([NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180242120 1015887479 /nfs/dbraw/zinc/88/74/79/1015887479.db2.gz SESRABSDNGRKTP-LJQANCHMSA-N 2 1 336.545 3.504 20 0 EHADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183149803 1032137815 /nfs/dbraw/zinc/13/78/15/1032137815.db2.gz GGIUXRVUPSVWGW-LSDHHAIUSA-N 2 1 342.487 3.525 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cs1 ZINC000348121931 1016290421 /nfs/dbraw/zinc/29/04/21/1016290421.db2.gz SJLACGHMHFTBRC-ROUUACIJSA-N 2 1 333.545 3.696 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449086006 1032146612 /nfs/dbraw/zinc/14/66/12/1032146612.db2.gz BBUQGLQXAAKWAI-UHFFFAOYSA-N 2 1 340.496 3.613 20 0 EHADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000151956485 1016427014 /nfs/dbraw/zinc/42/70/14/1016427014.db2.gz IHAPNZPQSVGHAO-OAHLLOKOSA-N 2 1 333.476 3.868 20 0 EHADMP C[C@@H]([NH2+]CCCOC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827814 1016963010 /nfs/dbraw/zinc/96/30/10/1016963010.db2.gz BHZQNADNLSVQML-UYAOXDASSA-N 2 1 330.516 3.836 20 0 EHADMP Cn1c2ccc(NC3CC[NH+](C4CC4)CC3)cc2[nH+]c1C(C)(C)C ZINC000459464332 1032164483 /nfs/dbraw/zinc/16/44/83/1032164483.db2.gz OIWXIQGLGRLAQV-UHFFFAOYSA-N 2 1 326.488 3.910 20 0 EHADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000183569859 1032181301 /nfs/dbraw/zinc/18/13/01/1032181301.db2.gz COOPXQGHHJADBT-UHFFFAOYSA-N 2 1 347.450 3.778 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840734 1032185492 /nfs/dbraw/zinc/18/54/92/1032185492.db2.gz IJGGRYJYHVWIST-HOTGVXAUSA-N 2 1 342.483 3.849 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379648665 1032225165 /nfs/dbraw/zinc/22/51/65/1032225165.db2.gz MSAPFQNOKREKLV-ICSRJNTNSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379648665 1032225179 /nfs/dbraw/zinc/22/51/79/1032225179.db2.gz MSAPFQNOKREKLV-ICSRJNTNSA-N 2 1 330.516 3.714 20 0 EHADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449185818 1032304638 /nfs/dbraw/zinc/30/46/38/1032304638.db2.gz NZOYYTFNHANKLR-TWFHAPMSSA-N 2 1 326.484 3.957 20 0 EHADMP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000905075072 1032342983 /nfs/dbraw/zinc/34/29/83/1032342983.db2.gz IQBXOYPECYITPD-XLIONFOSSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000905075072 1032342999 /nfs/dbraw/zinc/34/29/99/1032342999.db2.gz IQBXOYPECYITPD-XLIONFOSSA-N 2 1 344.524 3.592 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905074538 1032343233 /nfs/dbraw/zinc/34/32/33/1032343233.db2.gz ZATKIOZGNOTBQR-SUMWQHHRSA-N 2 1 345.314 3.737 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000905131129 1032358000 /nfs/dbraw/zinc/35/80/00/1032358000.db2.gz CIHXPZQGWQWURW-NLWGTHIKSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000905131129 1032358011 /nfs/dbraw/zinc/35/80/11/1032358011.db2.gz CIHXPZQGWQWURW-NLWGTHIKSA-N 2 1 344.524 3.763 20 0 EHADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2ccccn2)CC1 ZINC000185255936 1032374100 /nfs/dbraw/zinc/37/41/00/1032374100.db2.gz JGVPACUPAGHDEQ-UHFFFAOYSA-N 2 1 332.451 3.569 20 0 EHADMP Clc1ccc(Br)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236009064 1122348988 /nfs/dbraw/zinc/34/89/88/1122348988.db2.gz PUSIKFUPQYBDJA-UHFFFAOYSA-N 2 1 343.696 3.678 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000084073467 1032412856 /nfs/dbraw/zinc/41/28/56/1032412856.db2.gz MZVDOOFJVKFVEV-UHFFFAOYSA-N 2 1 349.544 3.765 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000084073467 1032412862 /nfs/dbraw/zinc/41/28/62/1032412862.db2.gz MZVDOOFJVKFVEV-UHFFFAOYSA-N 2 1 349.544 3.765 20 0 EHADMP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc4cccnc4o3)C2)n2c1CCCC2 ZINC000449305779 1032426775 /nfs/dbraw/zinc/42/67/75/1032426775.db2.gz IDDRVUAPCDXFOQ-INIZCTEOSA-N 2 1 336.439 3.740 20 0 EHADMP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc4cccnc4o3)C2)n2c1CCCC2 ZINC000449305779 1032426783 /nfs/dbraw/zinc/42/67/83/1032426783.db2.gz IDDRVUAPCDXFOQ-INIZCTEOSA-N 2 1 336.439 3.740 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724994 1032431560 /nfs/dbraw/zinc/43/15/60/1032431560.db2.gz FMUINKSQSXBISW-INIZCTEOSA-N 2 1 346.906 3.656 20 0 EHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730671 1032435095 /nfs/dbraw/zinc/43/50/95/1032435095.db2.gz FDJLBSRDGUNGKC-ZBFHGGJFSA-N 2 1 339.321 3.702 20 0 EHADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000537304834 1032608887 /nfs/dbraw/zinc/60/88/87/1032608887.db2.gz WIBNBPFZVXOOBU-WRFKIARRSA-N 2 1 328.500 3.814 20 0 EHADMP c1csc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)c1 ZINC000415038524 1017453717 /nfs/dbraw/zinc/45/37/17/1017453717.db2.gz HWYUJBFPBGKSJR-DZGCQCFKSA-N 2 1 333.526 3.836 20 0 EHADMP c1csc(-c2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)c1 ZINC000415038524 1017453726 /nfs/dbraw/zinc/45/37/26/1017453726.db2.gz HWYUJBFPBGKSJR-DZGCQCFKSA-N 2 1 333.526 3.836 20 0 EHADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000415084025 1017528381 /nfs/dbraw/zinc/52/83/81/1017528381.db2.gz OOWTXTNRXOMZLT-ZBFHGGJFSA-N 2 1 329.419 3.633 20 0 EHADMP COc1cccc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415095438 1017540200 /nfs/dbraw/zinc/54/02/00/1017540200.db2.gz ZPFKXRCMBYOTEN-WBVHZDCISA-N 2 1 332.488 3.637 20 0 EHADMP c1c2ccccc2sc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655770561 1017554332 /nfs/dbraw/zinc/55/43/32/1017554332.db2.gz LDXLDHVWNKMNJV-SFHVURJKSA-N 2 1 344.524 3.677 20 0 EHADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001167326934 1018093913 /nfs/dbraw/zinc/09/39/13/1018093913.db2.gz YHLBUJXTCIZQNQ-RZUBCFFCSA-N 2 1 344.543 3.739 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000377664215 1018146627 /nfs/dbraw/zinc/14/66/27/1018146627.db2.gz DIVTWGVCXZVZNV-RBUKOAKNSA-N 2 1 346.906 3.660 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[C@H]1c1cccs1 ZINC000340520160 1018210342 /nfs/dbraw/zinc/21/03/42/1018210342.db2.gz PBOUCEIYZPPEHL-UWAKZDDMSA-N 2 1 346.540 3.678 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[C@H]1c1cccs1 ZINC000340520160 1018210354 /nfs/dbraw/zinc/21/03/54/1018210354.db2.gz PBOUCEIYZPPEHL-UWAKZDDMSA-N 2 1 346.540 3.678 20 0 EHADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340530387 1018234119 /nfs/dbraw/zinc/23/41/19/1018234119.db2.gz ZLVHFKKFELSECB-DUWHWDBVSA-N 2 1 341.543 3.502 20 0 EHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000472841782 1018239825 /nfs/dbraw/zinc/23/98/25/1018239825.db2.gz PVPWDPYURFTBSC-NRFANRHFSA-N 2 1 341.543 3.636 20 0 EHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000124518431 1018372925 /nfs/dbraw/zinc/37/29/25/1018372925.db2.gz KTDORXMUKMWEQO-HNNXBMFYSA-N 2 1 343.968 3.716 20 0 EHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc4ccccc34)C2)CC1 ZINC000377832254 1018440473 /nfs/dbraw/zinc/44/04/73/1018440473.db2.gz QPRXPXZJIYLVJY-SFHVURJKSA-N 2 1 343.540 3.502 20 0 EHADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000177724421 1018460316 /nfs/dbraw/zinc/46/03/16/1018460316.db2.gz SAXZRDNTAHXITR-CQSZACIVSA-N 2 1 329.513 3.859 20 0 EHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073269 1018598735 /nfs/dbraw/zinc/59/87/35/1018598735.db2.gz GHDXGNKMNRLRPK-PMACEKPBSA-N 2 1 348.490 3.949 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3COc4ccccc43)CC23CC3)cc1 ZINC000580073269 1018598745 /nfs/dbraw/zinc/59/87/45/1018598745.db2.gz GHDXGNKMNRLRPK-PMACEKPBSA-N 2 1 348.490 3.949 20 0 EHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000052209943 1018765483 /nfs/dbraw/zinc/76/54/83/1018765483.db2.gz KSFCZSQQHIRWRI-UHFFFAOYSA-N 2 1 349.494 3.517 20 0 EHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000052209943 1018765493 /nfs/dbraw/zinc/76/54/93/1018765493.db2.gz KSFCZSQQHIRWRI-UHFFFAOYSA-N 2 1 349.494 3.517 20 0 EHADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000052441647 1018813912 /nfs/dbraw/zinc/81/39/12/1018813912.db2.gz OLLBWAQHJPYFJA-AWEZNQCLSA-N 2 1 340.870 3.584 20 0 EHADMP COC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000580361679 1019187937 /nfs/dbraw/zinc/18/79/37/1019187937.db2.gz GKIDYCLKZCVJQK-QKQBLWMGSA-N 2 1 342.527 3.834 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1 ZINC000191595648 1032813387 /nfs/dbraw/zinc/81/33/87/1032813387.db2.gz JZYBKTVHILSQEP-LAUBAEHRSA-N 2 1 349.478 3.743 20 0 EHADMP Fc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC001204734661 1019309749 /nfs/dbraw/zinc/30/97/49/1019309749.db2.gz AODNKBFDSKBDJR-UHFFFAOYSA-N 2 1 330.369 3.810 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)CC2(C)C)CC1 ZINC000932906351 1019364614 /nfs/dbraw/zinc/36/46/14/1019364614.db2.gz WXLJGWDFPVAGFN-OAQYLSRUSA-N 2 1 343.559 3.671 20 0 EHADMP COC1(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000319507262 1019448396 /nfs/dbraw/zinc/44/83/96/1019448396.db2.gz WZNLOIZQHDRQKT-HXUWFJFHSA-N 2 1 330.516 3.838 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000513325374 1019531821 /nfs/dbraw/zinc/53/18/21/1019531821.db2.gz HPILKTFQSUNTKY-QMMLZNLJSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000513325374 1019531831 /nfs/dbraw/zinc/53/18/31/1019531831.db2.gz HPILKTFQSUNTKY-QMMLZNLJSA-N 2 1 330.516 3.834 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513377971 1019580788 /nfs/dbraw/zinc/58/07/88/1019580788.db2.gz XUVFCZMMVBVVRX-SFHVURJKSA-N 2 1 346.563 3.633 20 0 EHADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513377971 1019580796 /nfs/dbraw/zinc/58/07/96/1019580796.db2.gz XUVFCZMMVBVVRX-SFHVURJKSA-N 2 1 346.563 3.633 20 0 EHADMP COc1cc(-c2ccccc2)ccc1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000513379842 1019582539 /nfs/dbraw/zinc/58/25/39/1019582539.db2.gz YFMGZFZWQUITJP-WIYYLYMNSA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000513379842 1019582551 /nfs/dbraw/zinc/58/25/51/1019582551.db2.gz YFMGZFZWQUITJP-WIYYLYMNSA-N 2 1 336.479 3.888 20 0 EHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000513379842 1019582564 /nfs/dbraw/zinc/58/25/64/1019582564.db2.gz YFMGZFZWQUITJP-WIYYLYMNSA-N 2 1 336.479 3.888 20 0 EHADMP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000262449920 1019633060 /nfs/dbraw/zinc/63/30/60/1019633060.db2.gz ZKVLZZGZAVYHAA-IRXDYDNUSA-N 2 1 343.515 3.778 20 0 EHADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000513452222 1019700570 /nfs/dbraw/zinc/70/05/70/1019700570.db2.gz MGWTUXHQCUTAEP-NQIIRXRSSA-N 2 1 338.495 3.721 20 0 EHADMP Fc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC001204735171 1019755482 /nfs/dbraw/zinc/75/54/82/1019755482.db2.gz MRFBCWADQNHQNX-UHFFFAOYSA-N 2 1 330.369 3.810 20 0 EHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544436 1019811199 /nfs/dbraw/zinc/81/11/99/1019811199.db2.gz HYDRJLGBSYHFFR-UYAOXDASSA-N 2 1 348.494 3.725 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398150771 1019818425 /nfs/dbraw/zinc/81/84/25/1019818425.db2.gz YUQZVBYILLPDDM-KCLUMXDGSA-N 2 1 330.516 3.690 20 0 EHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000398150771 1019818443 /nfs/dbraw/zinc/81/84/43/1019818443.db2.gz YUQZVBYILLPDDM-KCLUMXDGSA-N 2 1 330.516 3.690 20 0 EHADMP Cc1cnccc1OC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000580753974 1019984252 /nfs/dbraw/zinc/98/42/52/1019984252.db2.gz XIFWRRMILVCWLT-UHFFFAOYSA-N 2 1 329.469 3.767 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000651977210 1020078023 /nfs/dbraw/zinc/07/80/23/1020078023.db2.gz ZHNRGOIWRZEVHC-MRXNPFEDSA-N 2 1 332.451 3.738 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]CC2=CCCOC2)C1 ZINC000126543834 1020083156 /nfs/dbraw/zinc/08/31/56/1020083156.db2.gz MVARZGAUJVYXOA-HDICACEKSA-N 2 1 328.500 3.601 20 0 EHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000684112029 1020241765 /nfs/dbraw/zinc/24/17/65/1020241765.db2.gz JUGNDYVZTYGVJZ-KURKYZTESA-N 2 1 332.536 3.546 20 0 EHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000684112029 1020241775 /nfs/dbraw/zinc/24/17/75/1020241775.db2.gz JUGNDYVZTYGVJZ-KURKYZTESA-N 2 1 332.536 3.546 20 0 EHADMP CCc1cnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000580989426 1020336698 /nfs/dbraw/zinc/33/66/98/1020336698.db2.gz VYAMAGJCVDRHAF-UHFFFAOYSA-N 2 1 339.483 3.725 20 0 EHADMP CCc1cnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000580989426 1020336705 /nfs/dbraw/zinc/33/67/05/1020336705.db2.gz VYAMAGJCVDRHAF-UHFFFAOYSA-N 2 1 339.483 3.725 20 0 EHADMP C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155489 1020551920 /nfs/dbraw/zinc/55/19/20/1020551920.db2.gz TXVVFJGZXLPBMQ-LEDOBFOHSA-N 2 1 349.522 3.673 20 0 EHADMP C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155489 1020551925 /nfs/dbraw/zinc/55/19/25/1020551925.db2.gz TXVVFJGZXLPBMQ-LEDOBFOHSA-N 2 1 349.522 3.673 20 0 EHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000501054837 1020688019 /nfs/dbraw/zinc/68/80/19/1020688019.db2.gz OHBBVTJUFFPXKE-HXUWFJFHSA-N 2 1 335.580 3.695 20 0 EHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430558668 1020691338 /nfs/dbraw/zinc/69/13/38/1020691338.db2.gz QNRAJTXLQCNJIB-FQEVSTJZSA-N 2 1 339.483 3.744 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276276440 1020988312 /nfs/dbraw/zinc/98/83/12/1020988312.db2.gz DMGLTGKJIBBCRK-HXUWFJFHSA-N 2 1 325.456 3.552 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276276440 1020988318 /nfs/dbraw/zinc/98/83/18/1020988318.db2.gz DMGLTGKJIBBCRK-HXUWFJFHSA-N 2 1 325.456 3.552 20 0 EHADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000581515886 1021036025 /nfs/dbraw/zinc/03/60/25/1021036025.db2.gz NDHWQTBDDSDWNR-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000581515886 1021036032 /nfs/dbraw/zinc/03/60/32/1021036032.db2.gz NDHWQTBDDSDWNR-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000581515886 1021036037 /nfs/dbraw/zinc/03/60/37/1021036037.db2.gz NDHWQTBDDSDWNR-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000581515886 1021036042 /nfs/dbraw/zinc/03/60/42/1021036042.db2.gz NDHWQTBDDSDWNR-CZUORRHYSA-N 2 1 325.294 3.530 20 0 EHADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000581564061 1021091673 /nfs/dbraw/zinc/09/16/73/1021091673.db2.gz FPQNVLAQQDIZPU-ZGJYDULXSA-N 2 1 342.527 3.570 20 0 EHADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414985707 1021200881 /nfs/dbraw/zinc/20/08/81/1021200881.db2.gz WSNXAJRFNYDFDW-AWEZNQCLSA-N 2 1 334.895 3.785 20 0 EHADMP CN(Cc1ccc(Sc2ccccn2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000507365984 1021219852 /nfs/dbraw/zinc/21/98/52/1021219852.db2.gz AUTMCOVYEVDQJY-OAHLLOKOSA-N 2 1 331.485 3.599 20 0 EHADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000296066661 1021247614 /nfs/dbraw/zinc/24/76/14/1021247614.db2.gz RYIQVAKCAMKUCB-SFHVURJKSA-N 2 1 340.515 3.986 20 0 EHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789459 1021351990 /nfs/dbraw/zinc/35/19/90/1021351990.db2.gz OGCFMYMZCVRECJ-UHFFFAOYSA-N 2 1 346.906 3.563 20 0 EHADMP Cc1ccccc1C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000518686339 1021424033 /nfs/dbraw/zinc/42/40/33/1021424033.db2.gz WDDYLWCQRWUIQS-XQBPLPMBSA-N 2 1 344.543 3.795 20 0 EHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000684378994 1021478550 /nfs/dbraw/zinc/47/85/50/1021478550.db2.gz UAOZRCNRFWVNRO-SFTDATJTSA-N 2 1 330.516 3.659 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246855110 1021578165 /nfs/dbraw/zinc/57/81/65/1021578165.db2.gz KWTKAGCXSDIIFW-OALUTQOASA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246855110 1021578173 /nfs/dbraw/zinc/57/81/73/1021578173.db2.gz KWTKAGCXSDIIFW-OALUTQOASA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246855110 1021578180 /nfs/dbraw/zinc/57/81/80/1021578180.db2.gz KWTKAGCXSDIIFW-OALUTQOASA-N 2 1 345.531 3.745 20 0 EHADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246855110 1021578192 /nfs/dbraw/zinc/57/81/92/1021578192.db2.gz KWTKAGCXSDIIFW-OALUTQOASA-N 2 1 345.531 3.745 20 0 EHADMP COCC[N@@H+](C)CC[C@H](Nc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000518927634 1021693283 /nfs/dbraw/zinc/69/32/83/1021693283.db2.gz WQFNAZFOORIFQD-FQEVSTJZSA-N 2 1 349.478 3.778 20 0 EHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437578684 1021963088 /nfs/dbraw/zinc/96/30/88/1021963088.db2.gz MHQXJEQAJFLIDY-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437578684 1021963094 /nfs/dbraw/zinc/96/30/94/1021963094.db2.gz MHQXJEQAJFLIDY-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437578684 1021963100 /nfs/dbraw/zinc/96/31/00/1021963100.db2.gz MHQXJEQAJFLIDY-INIZCTEOSA-N 2 1 344.421 3.791 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602610530 1033026452 /nfs/dbraw/zinc/02/64/52/1033026452.db2.gz ARGGDSXYHIFFRS-JMVFIXPQSA-N 2 1 344.499 3.532 20 0 EHADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602610530 1033026468 /nfs/dbraw/zinc/02/64/68/1033026468.db2.gz ARGGDSXYHIFFRS-JMVFIXPQSA-N 2 1 344.499 3.532 20 0 EHADMP Cc1c(C)c(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1C ZINC000441204668 1022065479 /nfs/dbraw/zinc/06/54/79/1022065479.db2.gz NQTDFVDCMCDFCK-KSEOMHKRSA-N 2 1 344.543 3.912 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000647189896 1022085858 /nfs/dbraw/zinc/08/58/58/1022085858.db2.gz XULUNGUVLAYFMB-GHTZIAJQSA-N 2 1 340.515 3.539 20 0 EHADMP CC(C)Cn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647189896 1022085874 /nfs/dbraw/zinc/08/58/74/1022085874.db2.gz XULUNGUVLAYFMB-GHTZIAJQSA-N 2 1 340.515 3.539 20 0 EHADMP CC(C)[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(F)cc1F ZINC000425894867 1022122165 /nfs/dbraw/zinc/12/21/65/1022122165.db2.gz HCAVPOXEEPQJMD-LJQANCHMSA-N 2 1 349.425 3.907 20 0 EHADMP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CCCC2)cc1 ZINC000187821467 1022252090 /nfs/dbraw/zinc/25/20/90/1022252090.db2.gz UHQCIXLMKFPKBB-OAQYLSRUSA-N 2 1 330.516 3.663 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc2c1NCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894435011 1022282162 /nfs/dbraw/zinc/28/21/62/1022282162.db2.gz ZLNNGZOWEBEGPS-APWZRJJASA-N 2 1 327.516 3.787 20 0 EHADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000276710846 1022358217 /nfs/dbraw/zinc/35/82/17/1022358217.db2.gz VOGGBEVGPVZDPE-MRXNPFEDSA-N 2 1 325.378 3.968 20 0 EHADMP C[C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C[NH+](C)C ZINC000425946841 1022375790 /nfs/dbraw/zinc/37/57/90/1022375790.db2.gz QFRFPSQXEPIXNR-BXUZGUMPSA-N 2 1 343.334 3.773 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167971253 1022389798 /nfs/dbraw/zinc/38/97/98/1022389798.db2.gz VGHADPSRFPPOGJ-DLZDZTESSA-N 2 1 326.484 3.814 20 0 EHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167971253 1022389814 /nfs/dbraw/zinc/38/98/14/1022389814.db2.gz VGHADPSRFPPOGJ-DLZDZTESSA-N 2 1 326.484 3.814 20 0 EHADMP C[NH+]1C(C)(C)CC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1(C)C ZINC001167971236 1022401971 /nfs/dbraw/zinc/40/19/71/1022401971.db2.gz UKCXYLNXAMGBSD-JLYLLQBASA-N 2 1 333.564 3.633 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1(C)C ZINC001167971236 1022401980 /nfs/dbraw/zinc/40/19/80/1022401980.db2.gz UKCXYLNXAMGBSD-JLYLLQBASA-N 3 1 333.564 3.633 20 0 EHADMP C[NH+]1C(C)(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1(C)C ZINC001167971236 1022401986 /nfs/dbraw/zinc/40/19/86/1022401986.db2.gz UKCXYLNXAMGBSD-JLYLLQBASA-N 3 1 333.564 3.633 20 0 EHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1(CC2CCC2)CCOCC1 ZINC001167979253 1022745387 /nfs/dbraw/zinc/74/53/87/1022745387.db2.gz YKXBYQXNBJPYCQ-SEJPIABJSA-N 2 1 346.559 3.968 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)oc2c1 ZINC000426046979 1022760817 /nfs/dbraw/zinc/76/08/17/1022760817.db2.gz YUMFOAUTVIFWGF-WMZOPIPTSA-N 2 1 330.472 3.629 20 0 EHADMP CC1=C[C@@H](C)C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430862099 1022787781 /nfs/dbraw/zinc/78/77/81/1022787781.db2.gz CXKHKTBXYHMBIN-QGZVFWFLSA-N 2 1 327.516 3.615 20 0 EHADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)oc2c1 ZINC000426070756 1022833983 /nfs/dbraw/zinc/83/39/83/1022833983.db2.gz PORVAZVYAPMWDD-DLBZAZTESA-N 2 1 342.483 3.893 20 0 EHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430961821 1022980782 /nfs/dbraw/zinc/98/07/82/1022980782.db2.gz OZYBPOZXXVIIDJ-CABCVRRESA-N 2 1 344.421 3.924 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000518183384 1023110928 /nfs/dbraw/zinc/11/09/28/1023110928.db2.gz DOFANFJHBLSECS-HXUWFJFHSA-N 2 1 342.527 3.980 20 0 EHADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000518183384 1023110931 /nfs/dbraw/zinc/11/09/31/1023110931.db2.gz DOFANFJHBLSECS-HXUWFJFHSA-N 2 1 342.527 3.980 20 0 EHADMP C[N@H+](Cc1cccc(Oc2ccccn2)c1)CC1CC[NH+](C)CC1 ZINC000891936582 1023453185 /nfs/dbraw/zinc/45/31/85/1023453185.db2.gz XWYLXCJJIWOBTE-UHFFFAOYSA-N 2 1 325.456 3.648 20 0 EHADMP COC1CCC(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483882 1023478385 /nfs/dbraw/zinc/47/83/85/1023478385.db2.gz NPEAXNCUYCZWHW-QXWDQEIOSA-N 2 1 330.516 3.692 20 0 EHADMP COC1(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000277126719 1023805420 /nfs/dbraw/zinc/80/54/20/1023805420.db2.gz IFBQPWPYNPLIDN-GOSISDBHSA-N 2 1 330.516 3.631 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccnc2c(Br)cccc12 ZINC000443522458 1024098319 /nfs/dbraw/zinc/09/83/19/1024098319.db2.gz MEGXRKFSGDOSGI-VXGBXAGGSA-N 2 1 334.261 3.526 20 0 EHADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000514089675 1024123265 /nfs/dbraw/zinc/12/32/65/1024123265.db2.gz QWAGWLFWMXGWGR-DLBZAZTESA-N 2 1 348.531 3.797 20 0 EHADMP CCc1nc(C)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000428284577 1024148815 /nfs/dbraw/zinc/14/88/15/1024148815.db2.gz FONZLOWHOIXDES-UHFFFAOYSA-N 2 1 342.487 3.679 20 0 EHADMP Cc1nccn1CCC[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000342123159 1024174809 /nfs/dbraw/zinc/17/48/09/1024174809.db2.gz HMWZAGTYOFYJNG-UHFFFAOYSA-N 2 1 346.906 3.756 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000342123159 1024174820 /nfs/dbraw/zinc/17/48/20/1024174820.db2.gz HMWZAGTYOFYJNG-UHFFFAOYSA-N 2 1 346.906 3.756 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000342123159 1024174828 /nfs/dbraw/zinc/17/48/28/1024174828.db2.gz HMWZAGTYOFYJNG-UHFFFAOYSA-N 2 1 346.906 3.756 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475034019 1024175949 /nfs/dbraw/zinc/17/59/49/1024175949.db2.gz LUIUTGWLWDCABK-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475034019 1024175955 /nfs/dbraw/zinc/17/59/55/1024175955.db2.gz LUIUTGWLWDCABK-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034019 1024175963 /nfs/dbraw/zinc/17/59/63/1024175963.db2.gz LUIUTGWLWDCABK-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000475034019 1024175969 /nfs/dbraw/zinc/17/59/69/1024175969.db2.gz LUIUTGWLWDCABK-STZQEDGTSA-N 2 1 344.543 3.913 20 0 EHADMP C[C@@H]1CC([NH2+]CC23CC[NH+](CC2)CC3)C[C@@H](C)N1Cc1ccccc1 ZINC001168022506 1024213279 /nfs/dbraw/zinc/21/32/79/1024213279.db2.gz SRSAZFOQKSBUJZ-RTBURBONSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000514220940 1024232666 /nfs/dbraw/zinc/23/26/66/1024232666.db2.gz DDSDIFARDLUCDE-XMSQKQJNSA-N 2 1 337.511 3.753 20 0 EHADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023771 1024289453 /nfs/dbraw/zinc/28/94/53/1024289453.db2.gz XVTUSDXJSRPXOP-OPVJXMOQSA-N 2 1 331.548 3.605 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023771 1024289468 /nfs/dbraw/zinc/28/94/68/1024289468.db2.gz XVTUSDXJSRPXOP-OPVJXMOQSA-N 3 1 331.548 3.605 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023771 1024289478 /nfs/dbraw/zinc/28/94/78/1024289478.db2.gz XVTUSDXJSRPXOP-OPVJXMOQSA-N 3 1 331.548 3.605 20 0 EHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000113513567 1024322939 /nfs/dbraw/zinc/32/29/39/1024322939.db2.gz WLJHSQLIFCGGAX-OAHLLOKOSA-N 2 1 344.421 3.748 20 0 EHADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000190697416 1024337816 /nfs/dbraw/zinc/33/78/16/1024337816.db2.gz FTHAXWGAKUSLJU-HEHGZKQESA-N 2 1 325.294 3.576 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3CCCO[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048204 1024352897 /nfs/dbraw/zinc/35/28/97/1024352897.db2.gz UMEBHYDLFZKOEE-XRYRHKQGSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048204 1024352916 /nfs/dbraw/zinc/35/29/16/1024352916.db2.gz UMEBHYDLFZKOEE-XRYRHKQGSA-N 2 1 342.527 3.929 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048204 1024352934 /nfs/dbraw/zinc/35/29/34/1024352934.db2.gz UMEBHYDLFZKOEE-XRYRHKQGSA-N 2 1 342.527 3.929 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000281440427 1024378165 /nfs/dbraw/zinc/37/81/65/1024378165.db2.gz SCZAWKSBGDASPB-LAUBAEHRSA-N 2 1 340.515 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000281440427 1024378181 /nfs/dbraw/zinc/37/81/81/1024378181.db2.gz SCZAWKSBGDASPB-LAUBAEHRSA-N 2 1 340.515 3.773 20 0 EHADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000281440427 1024378198 /nfs/dbraw/zinc/37/81/98/1024378198.db2.gz SCZAWKSBGDASPB-LAUBAEHRSA-N 2 1 340.515 3.773 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000346124571 1024425806 /nfs/dbraw/zinc/42/58/06/1024425806.db2.gz CQJMTWFEYRBCTI-LSTHTHJFSA-N 2 1 341.499 3.801 20 0 EHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000346139469 1024440379 /nfs/dbraw/zinc/44/03/79/1024440379.db2.gz VOHDLFCFWXVFHP-NRFANRHFSA-N 2 1 348.450 3.619 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccs2)CC1 ZINC000505553830 1024464226 /nfs/dbraw/zinc/46/42/26/1024464226.db2.gz QWOBFPZCBFOZPT-UHFFFAOYSA-N 2 1 343.540 3.912 20 0 EHADMP C[C@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414860420 1024526057 /nfs/dbraw/zinc/52/60/57/1024526057.db2.gz VHQCUDJSGGSRDB-WDEREUQCSA-N 2 1 331.685 3.580 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000280988239 1024530602 /nfs/dbraw/zinc/53/06/02/1024530602.db2.gz LORBZFSNMMJGAS-UHFFFAOYSA-N 3 1 343.559 3.751 20 0 EHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137202363 1024554183 /nfs/dbraw/zinc/55/41/83/1024554183.db2.gz YTPSAMRQSLIOCR-SNVBAGLBSA-N 2 1 331.685 3.662 20 0 EHADMP C[C@@H]1CC(NC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008507 1024606598 /nfs/dbraw/zinc/60/65/98/1024606598.db2.gz FFIATPLGQUXSSS-OPYAIIAOSA-N 2 1 329.532 3.502 20 0 EHADMP C[C@@H]1CC([NH2+]C[C@@H]2CCCCN2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008507 1024606604 /nfs/dbraw/zinc/60/66/04/1024606604.db2.gz FFIATPLGQUXSSS-OPYAIIAOSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000514672068 1024659258 /nfs/dbraw/zinc/65/92/58/1024659258.db2.gz KEHFIDFLLQYRCA-SFHVURJKSA-N 2 1 341.524 3.781 20 0 EHADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000514672068 1024659261 /nfs/dbraw/zinc/65/92/61/1024659261.db2.gz KEHFIDFLLQYRCA-SFHVURJKSA-N 2 1 341.524 3.781 20 0 EHADMP COC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346490914 1024800303 /nfs/dbraw/zinc/80/03/03/1024800303.db2.gz KQXPMOCKFGNKRX-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP COC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346490914 1024800321 /nfs/dbraw/zinc/80/03/21/1024800321.db2.gz KQXPMOCKFGNKRX-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP COC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346490914 1024800338 /nfs/dbraw/zinc/80/03/38/1024800338.db2.gz KQXPMOCKFGNKRX-OAQYLSRUSA-N 2 1 330.516 3.790 20 0 EHADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000427827351 1024811769 /nfs/dbraw/zinc/81/17/69/1024811769.db2.gz QVCPQKYXNJPKEN-WMZOPIPTSA-N 2 1 338.499 3.868 20 0 EHADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000427827351 1024811783 /nfs/dbraw/zinc/81/17/83/1024811783.db2.gz QVCPQKYXNJPKEN-WMZOPIPTSA-N 2 1 338.499 3.868 20 0 EHADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375031 1024841217 /nfs/dbraw/zinc/84/12/17/1024841217.db2.gz ZAOPUYIVLHZLDS-RDJZCZTQSA-N 2 1 340.467 3.540 20 0 EHADMP C[N@H+](C[C@H](O)CC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871629 1024859798 /nfs/dbraw/zinc/85/97/98/1024859798.db2.gz OHWFDVIMOJTXFX-OAQYLSRUSA-N 2 1 330.516 3.524 20 0 EHADMP C[N@@H+](C[C@H](O)CC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190871629 1024859816 /nfs/dbraw/zinc/85/98/16/1024859816.db2.gz OHWFDVIMOJTXFX-OAQYLSRUSA-N 2 1 330.516 3.524 20 0 EHADMP CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435393816 1024879276 /nfs/dbraw/zinc/87/92/76/1024879276.db2.gz KYFOMTTWVGKWOK-AWEZNQCLSA-N 2 1 348.384 3.731 20 0 EHADMP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657307653 1024896898 /nfs/dbraw/zinc/89/68/98/1024896898.db2.gz SJFJPCMQMQKMHZ-MRXNPFEDSA-N 2 1 327.497 3.692 20 0 EHADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2coc3ccc(F)cc23)CC1 ZINC001141858669 1024982890 /nfs/dbraw/zinc/98/28/90/1024982890.db2.gz WJSNKESFYWPJDC-UHFFFAOYSA-N 2 1 325.387 3.598 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000157649523 1024989519 /nfs/dbraw/zinc/98/95/19/1024989519.db2.gz LYUPHCGIPGQURO-RHSMWYFYSA-N 2 1 330.497 3.996 20 0 EHADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000157649523 1024989534 /nfs/dbraw/zinc/98/95/34/1024989534.db2.gz LYUPHCGIPGQURO-RHSMWYFYSA-N 2 1 330.497 3.996 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011687 1025000934 /nfs/dbraw/zinc/00/09/34/1025000934.db2.gz QZNKQUDFURIVTQ-CWPLJXCYSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011687 1025000944 /nfs/dbraw/zinc/00/09/44/1025000944.db2.gz QZNKQUDFURIVTQ-CWPLJXCYSA-N 2 1 340.515 3.568 20 0 EHADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665259242 1025053032 /nfs/dbraw/zinc/05/30/32/1025053032.db2.gz ZKBCGMDEQFHBKN-MAODMQOUSA-N 2 1 341.474 3.667 20 0 EHADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428221356 1025055108 /nfs/dbraw/zinc/05/51/08/1025055108.db2.gz KHWGCGVRMJHHBV-OOOLTRJPSA-N 2 1 344.543 3.674 20 0 EHADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012570 1025117875 /nfs/dbraw/zinc/11/78/75/1025117875.db2.gz CDKIYCSHOKKNEQ-YHELAOLJSA-N 2 1 329.532 3.500 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012570 1025117878 /nfs/dbraw/zinc/11/78/78/1025117878.db2.gz CDKIYCSHOKKNEQ-YHELAOLJSA-N 2 1 329.532 3.500 20 0 EHADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012570 1025117882 /nfs/dbraw/zinc/11/78/82/1025117882.db2.gz CDKIYCSHOKKNEQ-YHELAOLJSA-N 2 1 329.532 3.500 20 0 EHADMP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000435789434 1025138401 /nfs/dbraw/zinc/13/84/01/1025138401.db2.gz FBTHUDUVAGLNIL-UYAOXDASSA-N 2 1 338.499 3.812 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000435883662 1025187864 /nfs/dbraw/zinc/18/78/64/1025187864.db2.gz AGGLWKCQHFJYBO-UHFFFAOYSA-N 2 1 334.467 3.581 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000435883662 1025187867 /nfs/dbraw/zinc/18/78/67/1025187867.db2.gz AGGLWKCQHFJYBO-UHFFFAOYSA-N 2 1 334.467 3.581 20 0 EHADMP C[NH2+]CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000435885653 1025189125 /nfs/dbraw/zinc/18/91/25/1025189125.db2.gz MOABXLPKOVQMOT-UHFFFAOYSA-N 2 1 340.496 3.642 20 0 EHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000435885653 1025189134 /nfs/dbraw/zinc/18/91/34/1025189134.db2.gz MOABXLPKOVQMOT-UHFFFAOYSA-N 2 1 340.496 3.642 20 0 EHADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C2 ZINC001168284882 1033266712 /nfs/dbraw/zinc/26/67/12/1033266712.db2.gz WZSWNIKSHXEPGB-SLFFLAALSA-N 2 1 328.500 3.501 20 0 EHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346883819 1025253518 /nfs/dbraw/zinc/25/35/18/1025253518.db2.gz ZDHKDJWELOHTFI-HOTGVXAUSA-N 2 1 347.503 3.569 20 0 EHADMP C[C@@H]1CC([N@H+]2CCCC[C@](O)(CF)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039926 1025268838 /nfs/dbraw/zinc/26/88/38/1025268838.db2.gz IRRSMTAGFVKNFY-OPYAIIAOSA-N 2 1 348.506 3.615 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254830 1025295167 /nfs/dbraw/zinc/29/51/67/1025295167.db2.gz QLGYILDHUXJQIR-AOCRQIFASA-N 2 1 336.545 3.766 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254830 1025295175 /nfs/dbraw/zinc/29/51/75/1025295175.db2.gz QLGYILDHUXJQIR-AOCRQIFASA-N 2 1 336.545 3.766 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254830 1025295184 /nfs/dbraw/zinc/29/51/84/1025295184.db2.gz QLGYILDHUXJQIR-AOCRQIFASA-N 2 1 336.545 3.766 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C3CC(OC(C)C)C3)C2)s1 ZINC000521254830 1025295190 /nfs/dbraw/zinc/29/51/90/1025295190.db2.gz QLGYILDHUXJQIR-AOCRQIFASA-N 2 1 336.545 3.766 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000453313229 1025337561 /nfs/dbraw/zinc/33/75/61/1025337561.db2.gz HWXYRGKOWXFIPU-IHPCNDPISA-N 2 1 328.500 3.761 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000453313229 1025337573 /nfs/dbraw/zinc/33/75/73/1025337573.db2.gz HWXYRGKOWXFIPU-IHPCNDPISA-N 2 1 328.500 3.761 20 0 EHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@@H]1C ZINC000346948736 1025342805 /nfs/dbraw/zinc/34/28/05/1025342805.db2.gz FHENYTOPTGBNCR-YJBOKZPZSA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@@H]1C ZINC000346948736 1025342816 /nfs/dbraw/zinc/34/28/16/1025342816.db2.gz FHENYTOPTGBNCR-YJBOKZPZSA-N 2 1 332.488 3.636 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)C[C@@H]1C ZINC000346948736 1025342824 /nfs/dbraw/zinc/34/28/24/1025342824.db2.gz FHENYTOPTGBNCR-YJBOKZPZSA-N 2 1 332.488 3.636 20 0 EHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760744 1025457152 /nfs/dbraw/zinc/45/71/52/1025457152.db2.gz AKSFHQUXYJDWHV-DLBZAZTESA-N 2 1 326.440 3.527 20 0 EHADMP CC[N@H+](CCCC(=O)OC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041669 1025466116 /nfs/dbraw/zinc/46/61/16/1025466116.db2.gz VHYKVYIXACYXIG-ROUUACIJSA-N 2 1 346.515 3.703 20 0 EHADMP CC[N@@H+](CCCC(=O)OC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041669 1025466121 /nfs/dbraw/zinc/46/61/21/1025466121.db2.gz VHYKVYIXACYXIG-ROUUACIJSA-N 2 1 346.515 3.703 20 0 EHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000442781305 1025473350 /nfs/dbraw/zinc/47/33/50/1025473350.db2.gz PADSJHSINYWADE-KGLIPLIRSA-N 2 1 330.394 3.534 20 0 EHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](C)[C@@](C)(O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041809 1025504403 /nfs/dbraw/zinc/50/44/03/1025504403.db2.gz VTAYSUVXCACSCQ-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041809 1025504418 /nfs/dbraw/zinc/50/44/18/1025504418.db2.gz VTAYSUVXCACSCQ-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)[C@@](C)(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041809 1025504428 /nfs/dbraw/zinc/50/44/28/1025504428.db2.gz VTAYSUVXCACSCQ-GVMRPCBKSA-N 2 1 344.543 3.911 20 0 EHADMP CCCCc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442878471 1025558403 /nfs/dbraw/zinc/55/84/03/1025558403.db2.gz YZMJBGXLVAOMOS-SFHVURJKSA-N 2 1 331.548 3.706 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000442918120 1025584353 /nfs/dbraw/zinc/58/43/53/1025584353.db2.gz CBGWKIRLTPWYLI-UONOGXRCSA-N 2 1 325.294 3.613 20 0 EHADMP Cc1ccc(OCc2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000442902349 1025585707 /nfs/dbraw/zinc/58/57/07/1025585707.db2.gz RTXLOAJUIODOIQ-MRXNPFEDSA-N 2 1 345.512 3.591 20 0 EHADMP Cc1ccc(OCc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000442902349 1025585720 /nfs/dbraw/zinc/58/57/20/1025585720.db2.gz RTXLOAJUIODOIQ-MRXNPFEDSA-N 2 1 345.512 3.591 20 0 EHADMP Clc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)ccn1 ZINC000281885506 1025656019 /nfs/dbraw/zinc/65/60/19/1025656019.db2.gz ANOJTGGBWBUTQO-OAHLLOKOSA-N 2 1 330.863 3.647 20 0 EHADMP Clc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960745 1025665438 /nfs/dbraw/zinc/66/54/38/1025665438.db2.gz BDLLFIRMRRRODB-AYHJJNSGSA-N 2 1 334.891 3.714 20 0 EHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000530360537 1025705715 /nfs/dbraw/zinc/70/57/15/1025705715.db2.gz VZYUNFBDEMTQIP-MRXNPFEDSA-N 2 1 348.288 3.737 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[N@@H+](C(C)(C)C)CC2)c2ccccn21 ZINC000582305749 1025798773 /nfs/dbraw/zinc/79/87/73/1025798773.db2.gz MGHRXXIJARFFCE-UHFFFAOYSA-N 2 1 328.504 3.764 20 0 EHADMP CC(C)c1[nH+]c(CN2CCC[N@H+](C(C)(C)C)CC2)c2ccccn21 ZINC000582305749 1025798786 /nfs/dbraw/zinc/79/87/86/1025798786.db2.gz MGHRXXIJARFFCE-UHFFFAOYSA-N 2 1 328.504 3.764 20 0 EHADMP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000521942561 1025813341 /nfs/dbraw/zinc/81/33/41/1025813341.db2.gz RFBSJYPDKHCIDS-INIZCTEOSA-N 2 1 336.907 3.902 20 0 EHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000582328437 1025858857 /nfs/dbraw/zinc/85/88/57/1025858857.db2.gz YHNYBJAUWBWMAC-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000582328437 1025858873 /nfs/dbraw/zinc/85/88/73/1025858873.db2.gz YHNYBJAUWBWMAC-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP CCCCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000582328437 1025858894 /nfs/dbraw/zinc/85/88/94/1025858894.db2.gz YHNYBJAUWBWMAC-RBUKOAKNSA-N 2 1 346.515 3.790 20 0 EHADMP Cc1nn2c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c(C(C)C)nc2s1 ZINC000329497973 1025925129 /nfs/dbraw/zinc/92/51/29/1025925129.db2.gz VCKYDUKRSLKMRW-UHFFFAOYSA-N 2 1 349.548 3.621 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639274531 1026006449 /nfs/dbraw/zinc/00/64/49/1026006449.db2.gz DFZSWHOBYSASOU-UKAVVXHISA-N 2 1 328.500 3.902 20 0 EHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639274531 1026006466 /nfs/dbraw/zinc/00/64/66/1026006466.db2.gz DFZSWHOBYSASOU-UKAVVXHISA-N 2 1 328.500 3.902 20 0 EHADMP c1ccc(OC2CCCC2)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414888798 1026006702 /nfs/dbraw/zinc/00/67/02/1026006702.db2.gz YDIXXEJCUHUWTE-UHFFFAOYSA-N 2 1 339.483 3.673 20 0 EHADMP C[C@@H]1CC(N2CC[N@H+]3CCCC[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054400 1026072798 /nfs/dbraw/zinc/07/27/98/1026072798.db2.gz RCJFBEYCLJLMHC-SBHAEUEKSA-N 2 1 341.543 3.598 20 0 EHADMP CCN1CCC([N@@H+](C)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000530904988 1026407291 /nfs/dbraw/zinc/40/72/91/1026407291.db2.gz RLWLJTAGHWYLBZ-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP CC[NH+]1CCC(N(C)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000530904988 1026407293 /nfs/dbraw/zinc/40/72/93/1026407293.db2.gz RLWLJTAGHWYLBZ-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000530904988 1026407300 /nfs/dbraw/zinc/40/73/00/1026407300.db2.gz RLWLJTAGHWYLBZ-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000530904988 1026407303 /nfs/dbraw/zinc/40/73/03/1026407303.db2.gz RLWLJTAGHWYLBZ-UHFFFAOYSA-N 2 1 331.287 3.788 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)C2)cc1 ZINC000475263628 1026423772 /nfs/dbraw/zinc/42/37/72/1026423772.db2.gz CMKSFFDNNVYLSW-YUMYIRISSA-N 2 1 342.527 3.693 20 0 EHADMP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000582575903 1026657806 /nfs/dbraw/zinc/65/78/06/1026657806.db2.gz MBMXYWGWOBKOMX-INIZCTEOSA-N 2 1 337.939 3.623 20 0 EHADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000582575903 1026657811 /nfs/dbraw/zinc/65/78/11/1026657811.db2.gz MBMXYWGWOBKOMX-INIZCTEOSA-N 2 1 337.939 3.623 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168065866 1026777798 /nfs/dbraw/zinc/77/77/98/1026777798.db2.gz YRQKJRRVGXDCHR-JYWFKMLOSA-N 2 1 328.500 3.681 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168065866 1026777809 /nfs/dbraw/zinc/77/78/09/1026777809.db2.gz YRQKJRRVGXDCHR-JYWFKMLOSA-N 2 1 328.500 3.681 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378468 1026865808 /nfs/dbraw/zinc/86/58/08/1026865808.db2.gz NKYIKAYLFVPNFW-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378468 1026865812 /nfs/dbraw/zinc/86/58/12/1026865812.db2.gz NKYIKAYLFVPNFW-HOCLYGCPSA-N 2 1 344.421 3.932 20 0 EHADMP COc1ccccc1[C@H](CNc1cc[nH+]cc1Cl)[NH+]1CCCC1 ZINC000301604500 1026869996 /nfs/dbraw/zinc/86/99/96/1026869996.db2.gz XPKLREKDJJCBDM-KRWDZBQOSA-N 2 1 331.847 3.993 20 0 EHADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccc(Br)cc12)C1CC1 ZINC000302002689 1027021000 /nfs/dbraw/zinc/02/10/00/1027021000.db2.gz XNBQZBLWZXZCGE-INIZCTEOSA-N 2 1 334.261 3.749 20 0 EHADMP Cc1nc2c(c(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n1)CCCC2 ZINC000302063969 1027040600 /nfs/dbraw/zinc/04/06/00/1027040600.db2.gz VFDVUOSQTAEFHR-AEFFLSMTSA-N 2 1 342.531 3.755 20 0 EHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531610600 1027086320 /nfs/dbraw/zinc/08/63/20/1027086320.db2.gz PPSADNFAXZCNLU-IRXDYDNUSA-N 2 1 348.494 3.809 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000125532641 1027089781 /nfs/dbraw/zinc/08/97/81/1027089781.db2.gz VHLNLXSVEQTPTP-FQEVSTJZSA-N 2 1 326.488 3.875 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000125532641 1027089786 /nfs/dbraw/zinc/08/97/86/1027089786.db2.gz VHLNLXSVEQTPTP-FQEVSTJZSA-N 2 1 326.488 3.875 20 0 EHADMP C[C@@H]1CN(c2ccnc3c(Br)cccc23)C[C@H](C)[N@@H+]1C ZINC000302215097 1027092868 /nfs/dbraw/zinc/09/28/68/1027092868.db2.gz HEDBZXXEIWBFJH-TXEJJXNPSA-N 2 1 334.261 3.526 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(OC3CCCCC3)nc2)[C@@H](C)C1 ZINC000531708697 1027232798 /nfs/dbraw/zinc/23/27/98/1027232798.db2.gz LFTJCTCFAJHVKC-QFBILLFUSA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@@H](C)C1 ZINC000531708697 1027232834 /nfs/dbraw/zinc/23/28/34/1027232834.db2.gz LFTJCTCFAJHVKC-QFBILLFUSA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@@H](NCc2ccc(OC3CCCCC3)nc2)[C@H](C)C1 ZINC000531708698 1027232967 /nfs/dbraw/zinc/23/29/67/1027232967.db2.gz LFTJCTCFAJHVKC-VQIMIIECSA-N 2 1 331.504 3.613 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@H](C)C1 ZINC000531708698 1027232992 /nfs/dbraw/zinc/23/29/92/1027232992.db2.gz LFTJCTCFAJHVKC-VQIMIIECSA-N 2 1 331.504 3.613 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453073388 1027288659 /nfs/dbraw/zinc/28/86/59/1027288659.db2.gz QSQLDVZCKNPJSW-NRSPTQNISA-N 2 1 339.483 3.824 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453073388 1027288683 /nfs/dbraw/zinc/28/86/83/1027288683.db2.gz QSQLDVZCKNPJSW-NRSPTQNISA-N 2 1 339.483 3.824 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000273174073 1027296256 /nfs/dbraw/zinc/29/62/56/1027296256.db2.gz CRKZBOIGYZZOMJ-QEUVDIPISA-N 2 1 330.516 3.692 20 0 EHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000273174073 1027296274 /nfs/dbraw/zinc/29/62/74/1027296274.db2.gz CRKZBOIGYZZOMJ-QEUVDIPISA-N 2 1 330.516 3.692 20 0 EHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cccnc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453078932 1027333913 /nfs/dbraw/zinc/33/39/13/1027333913.db2.gz KZJPQTNIFKZOLJ-FKBYEOEOSA-N 2 1 335.495 3.657 20 0 EHADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccncc1 ZINC000453134318 1027437909 /nfs/dbraw/zinc/43/79/09/1027437909.db2.gz ZFUZUNJTBNKJRK-IBGZPJMESA-N 2 1 342.487 3.639 20 0 EHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000420304137 1027454324 /nfs/dbraw/zinc/45/43/24/1027454324.db2.gz KYJYVRGOBKFDOK-CJNGLKHVSA-N 2 1 334.410 3.709 20 0 EHADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420306826 1027456704 /nfs/dbraw/zinc/45/67/04/1027456704.db2.gz BOKWABLMNXQIHF-SFHVURJKSA-N 2 1 344.890 3.809 20 0 EHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420311615 1027457228 /nfs/dbraw/zinc/45/72/28/1027457228.db2.gz HFBUJWXXZVBUJV-LPHOPBHVSA-N 2 1 326.488 3.583 20 0 EHADMP Cc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000420320432 1027467573 /nfs/dbraw/zinc/46/75/73/1027467573.db2.gz QFJOAPDRSLXZBX-YLJYHZDGSA-N 2 1 338.499 3.912 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324181 1027479240 /nfs/dbraw/zinc/47/92/40/1027479240.db2.gz GXHYOWOZEYJKPE-OLZOCXBDSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324181 1027479246 /nfs/dbraw/zinc/47/92/46/1027479246.db2.gz GXHYOWOZEYJKPE-OLZOCXBDSA-N 2 1 343.298 3.742 20 0 EHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656451 1027720134 /nfs/dbraw/zinc/72/01/34/1027720134.db2.gz FTOOBZIHJKWFRG-ZFWWWQNUSA-N 2 1 332.394 3.926 20 0 EHADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985560 1027776701 /nfs/dbraw/zinc/77/67/01/1027776701.db2.gz KKURWXOPCBIGOE-IBGZPJMESA-N 2 1 344.499 3.507 20 0 EHADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985560 1027776715 /nfs/dbraw/zinc/77/67/15/1027776715.db2.gz KKURWXOPCBIGOE-IBGZPJMESA-N 2 1 344.499 3.507 20 0 EHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H]1C[NH3+] ZINC000422559940 1027789068 /nfs/dbraw/zinc/78/90/68/1027789068.db2.gz FGZLGTABISDPPM-CLCXKQKWSA-N 2 1 327.447 3.693 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000342872570 1027798577 /nfs/dbraw/zinc/79/85/77/1027798577.db2.gz CTCHNBMXKOEUAC-INIZCTEOSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000342872570 1027798591 /nfs/dbraw/zinc/79/85/91/1027798591.db2.gz CTCHNBMXKOEUAC-INIZCTEOSA-N 2 1 333.863 3.778 20 0 EHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000422732442 1027878210 /nfs/dbraw/zinc/87/82/10/1027878210.db2.gz PWBLXEXKTYHDMF-HZPDHXFCSA-N 2 1 340.515 3.629 20 0 EHADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655762210 1027930974 /nfs/dbraw/zinc/93/09/74/1027930974.db2.gz CQKCWSFBLZXGKE-NVXWUHKLSA-N 2 1 334.529 3.703 20 0 EHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)C3CCCCC3)CC2)CC1 ZINC000420980445 1027961194 /nfs/dbraw/zinc/96/11/94/1027961194.db2.gz LPXVQAHOSIOICQ-IBGZPJMESA-N 2 1 335.580 3.695 20 0 EHADMP [NH3+][C@H]1C[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)c2ccccc21 ZINC000422794174 1027965977 /nfs/dbraw/zinc/96/59/77/1027965977.db2.gz YRYITMFIRTYYHG-GJZGRUSLSA-N 2 1 337.254 3.535 20 0 EHADMP CCOc1cc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC(F)F ZINC000246208882 1027998354 /nfs/dbraw/zinc/99/83/54/1027998354.db2.gz PCZRXNUUQCXVQT-DZGCQCFKSA-N 2 1 342.430 3.507 20 0 EHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC(F)F ZINC000246208882 1027998377 /nfs/dbraw/zinc/99/83/77/1027998377.db2.gz PCZRXNUUQCXVQT-DZGCQCFKSA-N 2 1 342.430 3.507 20 0 EHADMP OCC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000421023892 1028013559 /nfs/dbraw/zinc/01/35/59/1028013559.db2.gz WRAMKPDVXVDSCR-LJQANCHMSA-N 2 1 330.516 3.657 20 0 EHADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000422890793 1028026634 /nfs/dbraw/zinc/02/66/34/1028026634.db2.gz SXUUGGXNZAOCIC-UXHICEINSA-N 2 1 332.451 3.724 20 0 EHADMP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC[NH+]1CCCCC1 ZINC000444590638 1028048787 /nfs/dbraw/zinc/04/87/87/1028048787.db2.gz LZCWSPFJRAFXAA-UHFFFAOYSA-N 2 1 340.515 3.817 20 0 EHADMP Cc1sc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000422927960 1028058797 /nfs/dbraw/zinc/05/87/97/1028058797.db2.gz HYDBJOVRDQCMIN-PBHICJAKSA-N 2 1 329.513 3.781 20 0 EHADMP Fc1ccccc1C1([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422940625 1028071456 /nfs/dbraw/zinc/07/14/56/1028071456.db2.gz HGLGMEZPBIAPEP-ICSRJNTNSA-N 2 1 338.426 3.660 20 0 EHADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422963142 1028074911 /nfs/dbraw/zinc/07/49/11/1028074911.db2.gz HQTBLRKONPMVJQ-XUVXKRRUSA-N 2 1 343.515 3.803 20 0 EHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515351 1028078778 /nfs/dbraw/zinc/07/87/78/1028078778.db2.gz FBPJABWRLBBJPY-DOTOQJQBSA-N 2 1 343.496 3.742 20 0 EHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515351 1028078797 /nfs/dbraw/zinc/07/87/97/1028078797.db2.gz FBPJABWRLBBJPY-DOTOQJQBSA-N 2 1 343.496 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515351 1028078814 /nfs/dbraw/zinc/07/88/14/1028078814.db2.gz FBPJABWRLBBJPY-DOTOQJQBSA-N 2 1 343.496 3.742 20 0 EHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Sc3ccccn3)o2)C1 ZINC000353515351 1028078833 /nfs/dbraw/zinc/07/88/33/1028078833.db2.gz FBPJABWRLBBJPY-DOTOQJQBSA-N 2 1 343.496 3.742 20 0 EHADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000422969913 1028103011 /nfs/dbraw/zinc/10/30/11/1028103011.db2.gz VDBDXAHFJWJJCS-KFKAGJAMSA-N 2 1 326.415 3.732 20 0 EHADMP C[C@@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422982350 1028108519 /nfs/dbraw/zinc/10/85/19/1028108519.db2.gz QRBHKEZDVMDKSI-FOIQADDNSA-N 2 1 325.456 3.629 20 0 EHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000423019249 1028127035 /nfs/dbraw/zinc/12/70/35/1028127035.db2.gz UVHLRJWLYAZIIA-XWSJACJDSA-N 2 1 328.843 3.904 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2CC)[C@H](C)C1 ZINC000444682786 1028154598 /nfs/dbraw/zinc/15/45/98/1028154598.db2.gz BWCWQFBYQPGOFF-NQIIRXRSSA-N 2 1 332.532 3.518 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000246296506 1028173227 /nfs/dbraw/zinc/17/32/27/1028173227.db2.gz PIDKJXDTSCBIJG-MBOZVWFJSA-N 2 1 327.472 3.822 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000246296506 1028173234 /nfs/dbraw/zinc/17/32/34/1028173234.db2.gz PIDKJXDTSCBIJG-MBOZVWFJSA-N 2 1 327.472 3.822 20 0 EHADMP CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000414717274 1028180319 /nfs/dbraw/zinc/18/03/19/1028180319.db2.gz PNBSFHJXRHPINA-SFHVURJKSA-N 2 1 346.906 3.798 20 0 EHADMP CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000414717274 1028180327 /nfs/dbraw/zinc/18/03/27/1028180327.db2.gz PNBSFHJXRHPINA-SFHVURJKSA-N 2 1 346.906 3.798 20 0 EHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423115734 1028185760 /nfs/dbraw/zinc/18/57/60/1028185760.db2.gz YPQDDAUBFUSZEH-SDDRHHMPSA-N 2 1 329.257 3.627 20 0 EHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423146219 1028207161 /nfs/dbraw/zinc/20/71/61/1028207161.db2.gz OQAPGOWKSOKFSD-WCIQWLHISA-N 2 1 347.572 3.522 20 0 EHADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(C)ccc1OC ZINC000423184415 1028229782 /nfs/dbraw/zinc/22/97/82/1028229782.db2.gz HYXZRFTUMLJYDC-IBGZPJMESA-N 2 1 327.472 3.619 20 0 EHADMP COc1cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)ccc1SC ZINC000423193301 1028261539 /nfs/dbraw/zinc/26/15/39/1028261539.db2.gz WZIRUVJIQAVHCN-OAHLLOKOSA-N 2 1 345.512 3.643 20 0 EHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000459371959 1028321026 /nfs/dbraw/zinc/32/10/26/1028321026.db2.gz HMXOCAWCWNMRTA-UHFFFAOYSA-N 2 1 336.479 3.686 20 0 EHADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423283126 1028323279 /nfs/dbraw/zinc/32/32/79/1028323279.db2.gz XGHRRMVUPWZGJW-RDTXWAMCSA-N 2 1 334.410 3.823 20 0 EHADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)ccc1F ZINC000423318140 1028348830 /nfs/dbraw/zinc/34/88/30/1028348830.db2.gz CEAJIGGYASXKIZ-IAQYHMDHSA-N 2 1 329.257 3.629 20 0 EHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000421380898 1028351474 /nfs/dbraw/zinc/35/14/74/1028351474.db2.gz WLIQOIYTBXYZGP-UXHICEINSA-N 2 1 335.580 3.695 20 0 EHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCc2ccsc2)cc1 ZINC000423346902 1028361224 /nfs/dbraw/zinc/36/12/24/1028361224.db2.gz ZILUZIPYLOWCOB-XPGWFJOJSA-N 2 1 344.524 3.813 20 0 EHADMP COc1cccc([C@H](C)[NH2+][C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000423364077 1028392667 /nfs/dbraw/zinc/39/26/67/1028392667.db2.gz JJQVCZYQTIHCDO-ZLXGRDSLSA-N 2 1 346.421 3.770 20 0 EHADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423436524 1028444498 /nfs/dbraw/zinc/44/44/98/1028444498.db2.gz PSTZHDRLKALCQJ-PSWRPDDJSA-N 3 1 343.559 3.784 20 0 EHADMP Cc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CCCC2)o1 ZINC000423523123 1028499294 /nfs/dbraw/zinc/49/92/94/1028499294.db2.gz VPAUKLDBGSHCDD-GRERDSQWSA-N 2 1 345.531 3.625 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1Br ZINC000423535303 1028503424 /nfs/dbraw/zinc/50/34/24/1028503424.db2.gz XJLSMDPZKKGTRM-NHYWBVRUSA-N 2 1 341.293 3.626 20 0 EHADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000423535303 1028503448 /nfs/dbraw/zinc/50/34/48/1028503448.db2.gz XJLSMDPZKKGTRM-NHYWBVRUSA-N 2 1 341.293 3.626 20 0 EHADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737709 1028546882 /nfs/dbraw/zinc/54/68/82/1028546882.db2.gz XCCZSFZKAMLVQD-INIZCTEOSA-N 2 1 340.471 3.605 20 0 EHADMP CCN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000502695465 1028562519 /nfs/dbraw/zinc/56/25/19/1028562519.db2.gz XCRRLIOMYKQMND-SESVDKBCSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000502695465 1028562534 /nfs/dbraw/zinc/56/25/34/1028562534.db2.gz XCRRLIOMYKQMND-SESVDKBCSA-N 2 1 329.532 3.628 20 0 EHADMP CCN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000502695465 1028562549 /nfs/dbraw/zinc/56/25/49/1028562549.db2.gz XCRRLIOMYKQMND-SESVDKBCSA-N 2 1 329.532 3.628 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135636 1028584528 /nfs/dbraw/zinc/58/45/28/1028584528.db2.gz PPXOYGNRAPVVOA-WBVHZDCISA-N 2 1 329.875 3.908 20 0 EHADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000523851401 1028659453 /nfs/dbraw/zinc/65/94/53/1028659453.db2.gz OPXVWWLUCJXSPH-SJLPKXTDSA-N 2 1 333.520 3.586 20 0 EHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839698 1028699216 /nfs/dbraw/zinc/69/92/16/1028699216.db2.gz RWEOXLCJNQSQOA-DZGCQCFKSA-N 2 1 333.526 3.788 20 0 EHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839698 1028699221 /nfs/dbraw/zinc/69/92/21/1028699221.db2.gz RWEOXLCJNQSQOA-DZGCQCFKSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839698 1028699233 /nfs/dbraw/zinc/69/92/33/1028699233.db2.gz RWEOXLCJNQSQOA-DZGCQCFKSA-N 2 1 333.526 3.788 20 0 EHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)CC[C@H]21 ZINC000246839698 1028699237 /nfs/dbraw/zinc/69/92/37/1028699237.db2.gz RWEOXLCJNQSQOA-DZGCQCFKSA-N 2 1 333.526 3.788 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000247014417 1028727786 /nfs/dbraw/zinc/72/77/86/1028727786.db2.gz MKXYQIZZFPTNAP-MSOLQXFVSA-N 3 1 326.488 3.643 20 0 EHADMP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000247122337 1028749180 /nfs/dbraw/zinc/74/91/80/1028749180.db2.gz USDWSIVQOSFDDK-WSTZPKSXSA-N 2 1 333.520 3.648 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccccc2OC)[C@H](C)C1 ZINC000247213925 1028760541 /nfs/dbraw/zinc/76/05/41/1028760541.db2.gz XDZRXUSFQCGXRR-HOJAQTOUSA-N 2 1 348.531 3.873 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000247247630 1028764192 /nfs/dbraw/zinc/76/41/92/1028764192.db2.gz ZJALRKGWARXTJY-DLBZAZTESA-N 2 1 332.488 3.621 20 0 EHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414773508 1028791694 /nfs/dbraw/zinc/79/16/94/1028791694.db2.gz DLXVAVGAERFKGX-OALUTQOASA-N 2 1 346.515 3.696 20 0 EHADMP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)C2CC2)c(F)c1 ZINC000421829786 1028818834 /nfs/dbraw/zinc/81/88/34/1028818834.db2.gz IXBASZMTPGJMPW-IBGZPJMESA-N 2 1 331.435 3.860 20 0 EHADMP COC1([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CCCCC1 ZINC000421835932 1028827551 /nfs/dbraw/zinc/82/75/51/1028827551.db2.gz QMMOCZWSVUDOQP-KRWDZBQOSA-N 2 1 331.504 3.686 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000245565615 1028854503 /nfs/dbraw/zinc/85/45/03/1028854503.db2.gz RVQHLXJKDARAMH-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000245565615 1028854520 /nfs/dbraw/zinc/85/45/20/1028854520.db2.gz RVQHLXJKDARAMH-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000245565615 1028854534 /nfs/dbraw/zinc/85/45/34/1028854534.db2.gz RVQHLXJKDARAMH-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000245565615 1028854555 /nfs/dbraw/zinc/85/45/55/1028854555.db2.gz RVQHLXJKDARAMH-PXNSSMCTSA-N 2 1 343.515 3.731 20 0 EHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(F)c1 ZINC000424160097 1028860262 /nfs/dbraw/zinc/86/02/62/1028860262.db2.gz SZELBBNHNWZFSL-UHFFFAOYSA-N 2 1 348.437 3.894 20 0 EHADMP Clc1cc2cccnc2c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776782 1028861368 /nfs/dbraw/zinc/86/13/68/1028861368.db2.gz HSHDWAKVPUHSGX-JKSUJKDBSA-N 2 1 329.875 3.710 20 0 EHADMP c1csc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248402808 1028893908 /nfs/dbraw/zinc/89/39/08/1028893908.db2.gz NTYREDRZIDVDGO-IPMKNSEASA-N 2 1 341.524 3.576 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248427618 1028899937 /nfs/dbraw/zinc/89/99/37/1028899937.db2.gz OVSRVQNOBWPRKD-REPLKXPHSA-N 2 1 325.456 3.577 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248427618 1028899972 /nfs/dbraw/zinc/89/99/72/1028899972.db2.gz OVSRVQNOBWPRKD-REPLKXPHSA-N 2 1 325.456 3.577 20 0 EHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000248458411 1028912594 /nfs/dbraw/zinc/91/25/94/1028912594.db2.gz UQPSQHKFVVKNMW-BEFAXECRSA-N 2 1 330.497 3.556 20 0 EHADMP CC(C)(CO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245645329 1028968474 /nfs/dbraw/zinc/96/84/74/1028968474.db2.gz BJYTWNMOWYLVBY-OWZKRDHZSA-N 2 1 330.516 3.570 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245664117 1028986532 /nfs/dbraw/zinc/98/65/32/1028986532.db2.gz GGFOOMFZWQEWNR-DKUWSORSSA-N 3 1 341.543 3.504 20 0 EHADMP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245664117 1028986549 /nfs/dbraw/zinc/98/65/49/1028986549.db2.gz GGFOOMFZWQEWNR-DKUWSORSSA-N 2 1 341.543 3.504 20 0 EHADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(OC(F)(F)F)c1)CC[NH2+]CC2 ZINC000424370831 1029032893 /nfs/dbraw/zinc/03/28/93/1029032893.db2.gz CTQRYWUTXVVRKH-ZDUSSCGKSA-N 2 1 328.378 3.549 20 0 EHADMP Cc1cc(NCC[N@H+]2CCCOCC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000445665257 1029035370 /nfs/dbraw/zinc/03/53/70/1029035370.db2.gz OWCKDXFTHPLVHK-UHFFFAOYSA-N 2 1 333.863 3.639 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000280767218 1029049494 /nfs/dbraw/zinc/04/94/94/1029049494.db2.gz FXPPENCRZMTVFS-CYBMUJFWSA-N 2 1 325.378 3.821 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797970 1029147354 /nfs/dbraw/zinc/14/73/54/1029147354.db2.gz XADIMPHKCSGZCK-YOEHRIQHSA-N 2 1 326.406 3.884 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000161613845 1029238399 /nfs/dbraw/zinc/23/83/99/1029238399.db2.gz SXNAQAVMSAOFQG-BBRMVZONSA-N 2 1 326.406 3.667 20 0 EHADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414809656 1029261333 /nfs/dbraw/zinc/26/13/33/1029261333.db2.gz MNTSGKDZXUGBDU-UHFFFAOYSA-N 2 1 333.501 3.638 20 0 EHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825834 1029450950 /nfs/dbraw/zinc/45/09/50/1029450950.db2.gz HXHOIJCJQFSMSV-PBWFPOADSA-N 2 1 339.464 3.929 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481376 1029476480 /nfs/dbraw/zinc/47/64/80/1029476480.db2.gz MFDSYRJABNTQES-BVYCBKJFSA-N 2 1 338.495 3.529 20 0 EHADMP CCCOc1ccc(C[N@@H+](CCC)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000262034387 1029553803 /nfs/dbraw/zinc/55/38/03/1029553803.db2.gz OJRIBQVSSPZORF-HXUWFJFHSA-N 2 1 334.504 3.696 20 0 EHADMP CC(C)Cn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272731864 1029584891 /nfs/dbraw/zinc/58/48/91/1029584891.db2.gz AMVBXCFBSXLYTN-GHTZIAJQSA-N 2 1 340.515 3.539 20 0 EHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)c1 ZINC000647286129 1029625114 /nfs/dbraw/zinc/62/51/14/1029625114.db2.gz SEMGGWYDASDPKI-KRWDZBQOSA-N 2 1 340.515 3.910 20 0 EHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)c1 ZINC000647286129 1029625120 /nfs/dbraw/zinc/62/51/20/1029625120.db2.gz SEMGGWYDASDPKI-KRWDZBQOSA-N 2 1 340.515 3.910 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(C2CCCC2)c1 ZINC000657752229 1029648088 /nfs/dbraw/zinc/64/80/88/1029648088.db2.gz NTCGDHDOYPGJPG-NRFANRHFSA-N 2 1 328.500 3.687 20 0 EHADMP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(C2CCCC2)c1 ZINC000657752230 1029648217 /nfs/dbraw/zinc/64/82/17/1029648217.db2.gz NTCGDHDOYPGJPG-OAQYLSRUSA-N 2 1 328.500 3.687 20 0 EHADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738772 1029714401 /nfs/dbraw/zinc/71/44/01/1029714401.db2.gz BOSRLPHUARBBQP-SCLBCKFNSA-N 2 1 349.316 3.900 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739769 1029716546 /nfs/dbraw/zinc/71/65/46/1029716546.db2.gz ACIQNZGVPWOMGA-SUMWQHHRSA-N 2 1 337.305 3.758 20 0 EHADMP C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720501 1029793821 /nfs/dbraw/zinc/79/38/21/1029793821.db2.gz MZCPLKOEIBVNTK-WZONZLPQSA-N 2 1 334.507 3.902 20 0 EHADMP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCCC2)cc1 ZINC000446816238 1029800102 /nfs/dbraw/zinc/80/01/02/1029800102.db2.gz ARLKINHEWCLTQQ-QFIPXVFZSA-N 2 1 343.559 3.844 20 0 EHADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)c(F)c1 ZINC000421821012 1029814356 /nfs/dbraw/zinc/81/43/56/1029814356.db2.gz OXINCSPDFDJNLO-FQEVSTJZSA-N 2 1 334.479 3.995 20 0 EHADMP FC(F)OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453212921 1029920024 /nfs/dbraw/zinc/92/00/24/1029920024.db2.gz LVUAWXPEOJSJSG-KURKYZTESA-N 2 1 338.442 3.649 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000453288917 1030032487 /nfs/dbraw/zinc/03/24/87/1030032487.db2.gz LUJXQCFJIAFQJD-BFQNTYOBSA-N 2 1 331.287 3.691 20 0 EHADMP CCC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000525703231 1030033975 /nfs/dbraw/zinc/03/39/75/1030033975.db2.gz HKXUGIJYBDLMDO-MPQSDHOMSA-N 2 1 330.516 3.966 20 0 EHADMP CCC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000525703231 1030033993 /nfs/dbraw/zinc/03/39/93/1030033993.db2.gz HKXUGIJYBDLMDO-MPQSDHOMSA-N 2 1 330.516 3.966 20 0 EHADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000157760170 1030049276 /nfs/dbraw/zinc/04/92/76/1030049276.db2.gz ZSWYACLNRFUAFL-MQVJKMGUSA-N 2 1 337.305 3.862 20 0 EHADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000157760170 1030049288 /nfs/dbraw/zinc/04/92/88/1030049288.db2.gz ZSWYACLNRFUAFL-MQVJKMGUSA-N 2 1 337.305 3.862 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000453328477 1030060189 /nfs/dbraw/zinc/06/01/89/1030060189.db2.gz UAIBEOBSXYPKQK-NCDRGUHDSA-N 2 1 337.305 3.781 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+]1C ZINC000427691196 1030079854 /nfs/dbraw/zinc/07/98/54/1030079854.db2.gz SXLLMOFSEYZVIQ-FFSVYQOJSA-N 2 1 327.394 3.550 20 0 EHADMP C[C@@H]1C[C@@H](N[C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+]1C ZINC000427691196 1030079867 /nfs/dbraw/zinc/07/98/67/1030079867.db2.gz SXLLMOFSEYZVIQ-FFSVYQOJSA-N 2 1 327.394 3.550 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+]1C ZINC000427691196 1030079878 /nfs/dbraw/zinc/07/98/78/1030079878.db2.gz SXLLMOFSEYZVIQ-FFSVYQOJSA-N 2 1 327.394 3.550 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+]1C ZINC000427691196 1030079891 /nfs/dbraw/zinc/07/98/91/1030079891.db2.gz SXLLMOFSEYZVIQ-FFSVYQOJSA-N 2 1 327.394 3.550 20 0 EHADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453323954 1030104984 /nfs/dbraw/zinc/10/49/84/1030104984.db2.gz KFSXCEVDNOIVIR-BDTNDASRSA-N 2 1 335.495 3.923 20 0 EHADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000481975448 1030143166 /nfs/dbraw/zinc/14/31/66/1030143166.db2.gz SFJCLAAGSIIZKL-SJBKTWHCSA-N 2 1 343.559 3.607 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000531967155 1030158578 /nfs/dbraw/zinc/15/85/78/1030158578.db2.gz APJISGKMIKTBBG-HMFYCAOWSA-N 2 1 344.543 3.963 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278328422 1030182319 /nfs/dbraw/zinc/18/23/19/1030182319.db2.gz FRPDACJFDRAGGQ-HNAYVOBHSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278328422 1030182327 /nfs/dbraw/zinc/18/23/27/1030182327.db2.gz FRPDACJFDRAGGQ-HNAYVOBHSA-N 2 1 327.447 3.672 20 0 EHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722464 1030192743 /nfs/dbraw/zinc/19/27/43/1030192743.db2.gz UKGXOYRLKFNUHQ-XUVXKRRUSA-N 2 1 330.516 3.845 20 0 EHADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@]4(CCSC4)C3)CC2)cc1 ZINC000453373603 1030193357 /nfs/dbraw/zinc/19/33/57/1030193357.db2.gz SYNVDFLFKGFEOZ-FQEVSTJZSA-N 2 1 330.541 3.870 20 0 EHADMP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@]4(CCSC4)C3)CC2)cc1 ZINC000453373603 1030193369 /nfs/dbraw/zinc/19/33/69/1030193369.db2.gz SYNVDFLFKGFEOZ-FQEVSTJZSA-N 2 1 330.541 3.870 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000453375907 1030198565 /nfs/dbraw/zinc/19/85/65/1030198565.db2.gz PCPMQUUWYBJHIN-QNGMFEMESA-N 2 1 330.516 3.836 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000453405370 1030215859 /nfs/dbraw/zinc/21/58/59/1030215859.db2.gz QKHJYKBDTOAIGB-ICSRJNTNSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000453405370 1030215872 /nfs/dbraw/zinc/21/58/72/1030215872.db2.gz QKHJYKBDTOAIGB-ICSRJNTNSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000453405370 1030215882 /nfs/dbraw/zinc/21/58/82/1030215882.db2.gz QKHJYKBDTOAIGB-ICSRJNTNSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405370 1030215909 /nfs/dbraw/zinc/21/59/09/1030215909.db2.gz QKHJYKBDTOAIGB-ICSRJNTNSA-N 3 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000453405370 1030215922 /nfs/dbraw/zinc/21/59/22/1030215922.db2.gz QKHJYKBDTOAIGB-ICSRJNTNSA-N 3 1 329.532 3.504 20 0 EHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CC3 ZINC000453407479 1030216586 /nfs/dbraw/zinc/21/65/86/1030216586.db2.gz RYCCHTZELDXGSR-MRXNPFEDSA-N 2 1 325.500 3.798 20 0 EHADMP Brc1ccsc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000059191327 1030219239 /nfs/dbraw/zinc/21/92/39/1030219239.db2.gz BMBDTYIIBULAGH-UHFFFAOYSA-N 2 1 343.334 3.818 20 0 EHADMP C[C@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724087 1030219636 /nfs/dbraw/zinc/21/96/36/1030219636.db2.gz YERKYKJYTOHDAI-PMXSJFBMSA-N 2 1 330.516 3.616 20 0 EHADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000453396978 1030250361 /nfs/dbraw/zinc/25/03/61/1030250361.db2.gz JCEDGAUWNTWSEZ-FQEVSTJZSA-N 2 1 327.447 3.774 20 0 EHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453434439 1030292458 /nfs/dbraw/zinc/29/24/58/1030292458.db2.gz TZPHRMXFPKYRHO-AWEZNQCLSA-N 2 1 337.895 3.521 20 0 EHADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447562612 1030305528 /nfs/dbraw/zinc/30/55/28/1030305528.db2.gz MODZUXOTFQMDPO-MLZLACJZSA-N 2 1 330.516 3.569 20 0 EHADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447562611 1030306547 /nfs/dbraw/zinc/30/65/47/1030306547.db2.gz MODZUXOTFQMDPO-LELZANKISA-N 2 1 330.516 3.569 20 0 EHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000447563656 1030308762 /nfs/dbraw/zinc/30/87/62/1030308762.db2.gz RIRZHRKEGWUYRJ-FCHUYYIVSA-N 2 1 343.559 3.734 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(F)c(Br)c1)C1CC1 ZINC000453594476 1030354660 /nfs/dbraw/zinc/35/46/60/1030354660.db2.gz CARULDABBMVYNH-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)ccc1Br)C1CC1 ZINC000453591489 1030383055 /nfs/dbraw/zinc/38/30/55/1030383055.db2.gz CIAWNWPSZURXDS-UHFFFAOYSA-N 2 1 329.257 3.552 20 0 EHADMP CCCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000092253676 1030418639 /nfs/dbraw/zinc/41/86/39/1030418639.db2.gz IPKLGYMHLLVEBT-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000092253676 1030418649 /nfs/dbraw/zinc/41/86/49/1030418649.db2.gz IPKLGYMHLLVEBT-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000092253676 1030418656 /nfs/dbraw/zinc/41/86/56/1030418656.db2.gz IPKLGYMHLLVEBT-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000092253676 1030418662 /nfs/dbraw/zinc/41/86/62/1030418662.db2.gz IPKLGYMHLLVEBT-GOSISDBHSA-N 2 1 334.504 3.648 20 0 EHADMP COc1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000158951145 1030447295 /nfs/dbraw/zinc/44/72/95/1030447295.db2.gz RHFIWGVOHGKNQR-UHFFFAOYSA-N 2 1 338.495 3.534 20 0 EHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCC[C@H](C)C3)CC2)oc1C ZINC000092565465 1030480175 /nfs/dbraw/zinc/48/01/75/1030480175.db2.gz AKYWHDYBWSTBHQ-HNAYVOBHSA-N 2 1 333.520 3.919 20 0 EHADMP CC1(C)C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000482551244 1030523265 /nfs/dbraw/zinc/52/32/65/1030523265.db2.gz QVINCOXRWZQKRO-IBGZPJMESA-N 2 1 328.500 3.644 20 0 EHADMP C[N@H+](Cc1cccc2c[nH]nc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336837 1030587561 /nfs/dbraw/zinc/58/75/61/1030587561.db2.gz PCBFNQGUTZDWMB-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336837 1030587564 /nfs/dbraw/zinc/58/75/64/1030587564.db2.gz PCBFNQGUTZDWMB-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336837 1030587571 /nfs/dbraw/zinc/58/75/71/1030587571.db2.gz PCBFNQGUTZDWMB-GOSISDBHSA-N 2 1 334.467 3.517 20 0 EHADMP FC(F)COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563736 1030629089 /nfs/dbraw/zinc/62/90/89/1030629089.db2.gz DQOUOZZSXWECPE-QGZVFWFLSA-N 2 1 338.442 3.781 20 0 EHADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563736 1030629098 /nfs/dbraw/zinc/62/90/98/1030629098.db2.gz DQOUOZZSXWECPE-QGZVFWFLSA-N 2 1 338.442 3.781 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644447 1030646695 /nfs/dbraw/zinc/64/66/95/1030646695.db2.gz KTPZOOCBPAEUFU-XLIONFOSSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644447 1030646701 /nfs/dbraw/zinc/64/67/01/1030646701.db2.gz KTPZOOCBPAEUFU-XLIONFOSSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644447 1030646715 /nfs/dbraw/zinc/64/67/15/1030646715.db2.gz KTPZOOCBPAEUFU-XLIONFOSSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[NH+]1C ZINC000093644447 1030646723 /nfs/dbraw/zinc/64/67/23/1030646723.db2.gz KTPZOOCBPAEUFU-XLIONFOSSA-N 2 1 348.494 3.940 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000157593250 1030651071 /nfs/dbraw/zinc/65/10/71/1030651071.db2.gz XBFCSKMLZRUGEA-MOPGFXCFSA-N 2 1 340.515 3.683 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000157589477 1030666129 /nfs/dbraw/zinc/66/61/29/1030666129.db2.gz UJOLKHYMCPUIAZ-RBUKOAKNSA-N 2 1 340.515 3.826 20 0 EHADMP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Br ZINC001168351157 1030671462 /nfs/dbraw/zinc/67/14/62/1030671462.db2.gz JDXYQJPMXZHNLO-UHFFFAOYSA-N 2 1 341.268 3.552 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)cc1 ZINC000650751664 1030677798 /nfs/dbraw/zinc/67/77/98/1030677798.db2.gz YOWZCJBCKMRFIQ-KXBFYZLASA-N 2 1 332.451 3.868 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194240064 1030752489 /nfs/dbraw/zinc/75/24/89/1030752489.db2.gz AQYSEVXHEVLSID-QGZVFWFLSA-N 2 1 326.488 3.678 20 0 EHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000550890090 1030765658 /nfs/dbraw/zinc/76/56/58/1030765658.db2.gz DAYOEIQIOSWGGA-RXVVDRJESA-N 2 1 340.515 3.723 20 0 EHADMP O=C(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168353062 1030791768 /nfs/dbraw/zinc/79/17/68/1030791768.db2.gz IWPPSHRKRKVCTH-UHFFFAOYSA-N 2 1 348.490 3.882 20 0 EHADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945579 1030843305 /nfs/dbraw/zinc/84/33/05/1030843305.db2.gz HREYTWQPROPRNV-UYAOXDASSA-N 2 1 347.547 3.542 20 0 EHADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000482945579 1030843331 /nfs/dbraw/zinc/84/33/31/1030843331.db2.gz HREYTWQPROPRNV-UYAOXDASSA-N 2 1 347.547 3.542 20 0 EHADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)CCS2 ZINC000343450488 1030934124 /nfs/dbraw/zinc/93/41/24/1030934124.db2.gz XMHIQMYVJRCQLY-GOSISDBHSA-N 2 1 334.529 3.944 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000483203669 1031028949 /nfs/dbraw/zinc/02/89/49/1031028949.db2.gz QICSBEAHYVVQGD-SIKLNZKXSA-N 2 1 337.511 3.989 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000483203669 1031028967 /nfs/dbraw/zinc/02/89/67/1031028967.db2.gz QICSBEAHYVVQGD-SIKLNZKXSA-N 2 1 337.511 3.989 20 0 EHADMP CC(C)[N@H+]1CCC[C@@H](CNCc2ccsc2Br)C1 ZINC000527653423 1031083834 /nfs/dbraw/zinc/08/38/34/1031083834.db2.gz KEBXSKKOPJBPOK-LBPRGKRZSA-N 2 1 331.323 3.721 20 0 EHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527658558 1031117593 /nfs/dbraw/zinc/11/75/93/1031117593.db2.gz XBJHRTKANHZQKE-FKBYEOEOSA-N 2 1 344.543 3.929 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCSCC[C@H]2C)CC1 ZINC000483425256 1031158698 /nfs/dbraw/zinc/15/86/98/1031158698.db2.gz HOQMPKPYLWAGHP-GOSISDBHSA-N 2 1 347.572 3.546 20 0 EHADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565084031 1031181791 /nfs/dbraw/zinc/18/17/91/1031181791.db2.gz RTUHAKOOQLDQBV-SXLOBPIMSA-N 2 1 330.516 3.570 20 0 EHADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565084031 1031181799 /nfs/dbraw/zinc/18/17/99/1031181799.db2.gz RTUHAKOOQLDQBV-SXLOBPIMSA-N 2 1 330.516 3.570 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000483494802 1031198059 /nfs/dbraw/zinc/19/80/59/1031198059.db2.gz WZFCDIPWQWWEBA-CXAGYDPISA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000483494802 1031198073 /nfs/dbraw/zinc/19/80/73/1031198073.db2.gz WZFCDIPWQWWEBA-CXAGYDPISA-N 2 1 343.298 3.788 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000483494802 1031198087 /nfs/dbraw/zinc/19/80/87/1031198087.db2.gz WZFCDIPWQWWEBA-CXAGYDPISA-N 2 1 343.298 3.788 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515526 1031199756 /nfs/dbraw/zinc/19/97/56/1031199756.db2.gz QETNXAXLKGZROJ-JPYJTQIMSA-N 2 1 349.522 3.772 20 0 EHADMP Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc(C)[nH+]1 ZINC000431471327 1031281830 /nfs/dbraw/zinc/28/18/30/1031281830.db2.gz KWMPHJKWWGCHOO-UHFFFAOYSA-N 2 1 336.483 3.586 20 0 EHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527858293 1031335989 /nfs/dbraw/zinc/33/59/89/1031335989.db2.gz JIFGECGLWWSBIZ-JKSUJKDBSA-N 2 1 337.471 3.579 20 0 EHADMP CC[C@H](C)c1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000527860808 1031337518 /nfs/dbraw/zinc/33/75/18/1031337518.db2.gz YEMXCWDLTSGNQD-RBUKOAKNSA-N 2 1 331.548 3.878 20 0 EHADMP COCCC1CC[NH+]([C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000527938445 1031460208 /nfs/dbraw/zinc/46/02/08/1031460208.db2.gz ZGFSBAPJUHOMMO-YPAWHYETSA-N 2 1 342.527 3.646 20 0 EHADMP COCCC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000527938598 1031460718 /nfs/dbraw/zinc/46/07/18/1031460718.db2.gz ZQNKNBIERRXMJX-NRFANRHFSA-N 2 1 342.527 3.932 20 0 EHADMP COCCC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000527938598 1031460725 /nfs/dbraw/zinc/46/07/25/1031460725.db2.gz ZQNKNBIERRXMJX-NRFANRHFSA-N 2 1 342.527 3.932 20 0 EHADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000484141170 1031466887 /nfs/dbraw/zinc/46/68/87/1031466887.db2.gz WDODSOHUBRHOFA-NRSPTQNISA-N 2 1 332.532 3.674 20 0 EHADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666998192 1031482081 /nfs/dbraw/zinc/48/20/81/1031482081.db2.gz HKIJFYOSKDCSGF-LBPRGKRZSA-N 2 1 330.806 3.706 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000278587963 1031515945 /nfs/dbraw/zinc/51/59/45/1031515945.db2.gz ZEQPBGQIQNXKJU-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000278587963 1031515961 /nfs/dbraw/zinc/51/59/61/1031515961.db2.gz ZEQPBGQIQNXKJU-HNNXBMFYSA-N 2 1 333.476 3.592 20 0 EHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000178241265 1031646282 /nfs/dbraw/zinc/64/62/82/1031646282.db2.gz KRZBNRJHTZQUFV-JXFKEZNVSA-N 2 1 337.467 3.700 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OCC ZINC000178707593 1031717972 /nfs/dbraw/zinc/71/79/72/1031717972.db2.gz IKIZXESQARJMGY-JKSUJKDBSA-N 2 1 345.487 3.976 20 0 EHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000194932210 1031738283 /nfs/dbraw/zinc/73/82/83/1031738283.db2.gz OPQBUUHONUGWHP-SNRMKQJTSA-N 2 1 348.556 3.827 20 0 EHADMP CC1CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180108495 1031800306 /nfs/dbraw/zinc/80/03/06/1031800306.db2.gz DCWLUCJJNFFPID-FRIKZZABSA-N 2 1 341.543 3.504 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153149 1031862472 /nfs/dbraw/zinc/86/24/72/1031862472.db2.gz SAXCSTNEKRGNMT-BTHZBSGWSA-N 2 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180153149 1031862486 /nfs/dbraw/zinc/86/24/86/1031862486.db2.gz SAXCSTNEKRGNMT-BTHZBSGWSA-N 3 1 341.543 3.644 20 0 EHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180153149 1031862499 /nfs/dbraw/zinc/86/24/99/1031862499.db2.gz SAXCSTNEKRGNMT-BTHZBSGWSA-N 3 1 341.543 3.644 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C1 ZINC000657834803 1031912029 /nfs/dbraw/zinc/91/20/29/1031912029.db2.gz BRALVZCWWUWITB-XLIONFOSSA-N 2 1 328.500 3.720 20 0 EHADMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000904404725 1032017938 /nfs/dbraw/zinc/01/79/38/1032017938.db2.gz DWHWSKQEPSBPEV-MRXNPFEDSA-N 2 1 340.467 3.542 20 0 EHADMP CCCn1c2ccccc2nc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652987 1032039416 /nfs/dbraw/zinc/03/94/16/1032039416.db2.gz LJKWSWFBRYJWNE-UHFFFAOYSA-N 2 1 342.531 3.999 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954887 1032042054 /nfs/dbraw/zinc/04/20/54/1032042054.db2.gz YASHKBYRKXAUEZ-AGHHOFFYSA-N 2 1 341.543 3.806 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)C1 ZINC000537954887 1032042067 /nfs/dbraw/zinc/04/20/67/1032042067.db2.gz YASHKBYRKXAUEZ-AGHHOFFYSA-N 2 1 341.543 3.806 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412291 1033298511 /nfs/dbraw/zinc/29/85/11/1033298511.db2.gz DCIVJNYXTNWIBD-DLBZAZTESA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412291 1033298518 /nfs/dbraw/zinc/29/85/18/1033298518.db2.gz DCIVJNYXTNWIBD-DLBZAZTESA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412291 1033298529 /nfs/dbraw/zinc/29/85/29/1033298529.db2.gz DCIVJNYXTNWIBD-DLBZAZTESA-N 2 1 329.513 3.966 20 0 EHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)c3ccccn3)C2)s1 ZINC000685412291 1033298534 /nfs/dbraw/zinc/29/85/34/1033298534.db2.gz DCIVJNYXTNWIBD-DLBZAZTESA-N 2 1 329.513 3.966 20 0 EHADMP CC(C)[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457335 1033348245 /nfs/dbraw/zinc/34/82/45/1033348245.db2.gz ARHGBGOHLKKMJU-VXKWHMMOSA-N 2 1 343.559 3.527 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000685462864 1033356324 /nfs/dbraw/zinc/35/63/24/1033356324.db2.gz WKVPHAVPCLJNMK-QGZVFWFLSA-N 2 1 329.488 3.970 20 0 EHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000685462864 1033356338 /nfs/dbraw/zinc/35/63/38/1033356338.db2.gz WKVPHAVPCLJNMK-QGZVFWFLSA-N 2 1 329.488 3.970 20 0 EHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000594494858 1033397521 /nfs/dbraw/zinc/39/75/21/1033397521.db2.gz JJBQJERMUORVDU-OXQOHEQNSA-N 2 1 344.499 3.561 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657907423 1033492877 /nfs/dbraw/zinc/49/28/77/1033492877.db2.gz LLDZRTBOABSCOH-MNZLEMJZSA-N 2 1 336.470 3.820 20 0 EHADMP c1nc2ccccn2c1CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632372 1033643819 /nfs/dbraw/zinc/64/38/19/1033643819.db2.gz IKLRYKSRNNNCPX-FQEVSTJZSA-N 2 1 348.494 3.726 20 0 EHADMP c1nc2ccccn2c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685632372 1033643825 /nfs/dbraw/zinc/64/38/25/1033643825.db2.gz IKLRYKSRNNNCPX-FQEVSTJZSA-N 2 1 348.494 3.726 20 0 EHADMP c1nc2ccccn2c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632372 1033643831 /nfs/dbraw/zinc/64/38/31/1033643831.db2.gz IKLRYKSRNNNCPX-FQEVSTJZSA-N 2 1 348.494 3.726 20 0 EHADMP C[C@H]1C[C@@H](CC[NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657933717 1033684372 /nfs/dbraw/zinc/68/43/72/1033684372.db2.gz UPSPTOBKOUHCQP-FUHWJXTLSA-N 2 1 336.470 3.965 20 0 EHADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550612578 1033719666 /nfs/dbraw/zinc/71/96/66/1033719666.db2.gz NZKNMLUMRCIRGU-SFTDATJTSA-N 2 1 329.532 3.532 20 0 EHADMP C[N@H+](Cc1c(Cl)cccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000132214348 1033746019 /nfs/dbraw/zinc/74/60/19/1033746019.db2.gz BEHYGAHZZRDTMN-UHFFFAOYSA-N 2 1 332.822 3.715 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@H](C)C1 ZINC000093639314 1033802291 /nfs/dbraw/zinc/80/22/91/1033802291.db2.gz XOUOWPQFDQDZPP-RDTXWAMCSA-N 2 1 346.906 3.892 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)[C@H](C)C1 ZINC000093639314 1033802304 /nfs/dbraw/zinc/80/23/04/1033802304.db2.gz XOUOWPQFDQDZPP-RDTXWAMCSA-N 2 1 346.906 3.892 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550644080 1033809650 /nfs/dbraw/zinc/80/96/50/1033809650.db2.gz MCILQXHFETVNPH-RTWAWAEBSA-N 3 1 329.532 3.534 20 0 EHADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000550644080 1033809659 /nfs/dbraw/zinc/80/96/59/1033809659.db2.gz MCILQXHFETVNPH-RTWAWAEBSA-N 3 1 329.532 3.534 20 0 EHADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000550648190 1033815110 /nfs/dbraw/zinc/81/51/10/1033815110.db2.gz YHOSCPURRGVDEH-NHCUHLMSSA-N 2 1 331.548 3.920 20 0 EHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000603658887 1033840411 /nfs/dbraw/zinc/84/04/11/1033840411.db2.gz LYVFXEKGEWUYJM-UHFFFAOYSA-N 2 1 344.455 3.506 20 0 EHADMP CC(C)(C)[N@H+]1CC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000658059687 1033874610 /nfs/dbraw/zinc/87/46/10/1033874610.db2.gz WQNPXZPXUFFZNY-WOZUAGRISA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059687 1033874629 /nfs/dbraw/zinc/87/46/29/1033874629.db2.gz WQNPXZPXUFFZNY-WOZUAGRISA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)[NH+]1CC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059687 1033874649 /nfs/dbraw/zinc/87/46/49/1033874649.db2.gz WQNPXZPXUFFZNY-WOZUAGRISA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658059687 1033874666 /nfs/dbraw/zinc/87/46/66/1033874666.db2.gz WQNPXZPXUFFZNY-WOZUAGRISA-N 2 1 341.543 3.644 20 0 EHADMP CC(C)(C)N1CC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658059687 1033874684 /nfs/dbraw/zinc/87/46/84/1033874684.db2.gz WQNPXZPXUFFZNY-WOZUAGRISA-N 2 1 341.543 3.644 20 0 EHADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658122673 1033979854 /nfs/dbraw/zinc/97/98/54/1033979854.db2.gz HBKOUWIMILOULE-ZLNRFVROSA-N 2 1 349.522 3.965 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1Cl ZINC000658143258 1033989333 /nfs/dbraw/zinc/98/93/33/1033989333.db2.gz GUBYRJYYFHUZFW-YJBOKZPZSA-N 2 1 344.886 3.757 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145217 1033992068 /nfs/dbraw/zinc/99/20/68/1033992068.db2.gz QGFWEJCNVPHLAW-QRWLVFNGSA-N 2 1 344.886 3.757 20 0 EHADMP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000534064000 1034063954 /nfs/dbraw/zinc/06/39/54/1034063954.db2.gz ZTEQVOAYWZPPSH-WLRLJWMZSA-N 2 1 342.527 3.834 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H](C)C1 ZINC000658264276 1034128404 /nfs/dbraw/zinc/12/84/04/1034128404.db2.gz FFHLWKBQNAPQPS-NALMEZQBSA-N 2 1 344.490 3.681 20 0 EHADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316791 1034191866 /nfs/dbraw/zinc/19/18/66/1034191866.db2.gz HDYGJHZFWUKHNU-PKOBYXMFSA-N 2 1 330.516 3.692 20 0 EHADMP COc1cccc(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)c1OC ZINC000340190462 1034440898 /nfs/dbraw/zinc/44/08/98/1034440898.db2.gz GMWBIBVNXWSXRD-OALUTQOASA-N 2 1 340.467 3.629 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257370 1034481827 /nfs/dbraw/zinc/48/18/27/1034481827.db2.gz WFDSRICLLYINMB-AABGKKOBSA-N 2 1 340.515 3.913 20 0 EHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257370 1034481834 /nfs/dbraw/zinc/48/18/34/1034481834.db2.gz WFDSRICLLYINMB-AABGKKOBSA-N 2 1 340.515 3.913 20 0 EHADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1(C)C ZINC000390548263 1034759151 /nfs/dbraw/zinc/75/91/51/1034759151.db2.gz JFSXJQJLKBWAQD-JAGQDSLRSA-N 2 1 342.527 3.975 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000525708528 1034761404 /nfs/dbraw/zinc/76/14/04/1034761404.db2.gz WYCZZOVFTIHUHZ-ABAIWWIYSA-N 2 1 341.282 3.842 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000525708528 1034761417 /nfs/dbraw/zinc/76/14/17/1034761417.db2.gz WYCZZOVFTIHUHZ-ABAIWWIYSA-N 2 1 341.282 3.842 20 0 EHADMP CCc1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000450767558 1034762105 /nfs/dbraw/zinc/76/21/05/1034762105.db2.gz VIBASBJFYGGSJL-LAUBAEHRSA-N 2 1 341.499 3.670 20 0 EHADMP CCc1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000450767558 1034762115 /nfs/dbraw/zinc/76/21/15/1034762115.db2.gz VIBASBJFYGGSJL-LAUBAEHRSA-N 2 1 341.499 3.670 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063306 1035425542 /nfs/dbraw/zinc/42/55/42/1035425542.db2.gz MFNIZRGTRIMGBA-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414063306 1035425545 /nfs/dbraw/zinc/42/55/45/1035425545.db2.gz MFNIZRGTRIMGBA-IRXDYDNUSA-N 2 1 326.488 3.503 20 0 EHADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1csc(-c2ccccc2)n1 ZINC000414069435 1035438836 /nfs/dbraw/zinc/43/88/36/1035438836.db2.gz RQEFYIMBBJTVMF-CABCVRRESA-N 2 1 327.497 3.945 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccn(C)n1 ZINC000414075760 1035446882 /nfs/dbraw/zinc/44/68/82/1035446882.db2.gz XSILJQBCXFQQQE-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccn(C)n1 ZINC000414075760 1035446887 /nfs/dbraw/zinc/44/68/87/1035446887.db2.gz XSILJQBCXFQQQE-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000304618859 1035496954 /nfs/dbraw/zinc/49/69/54/1035496954.db2.gz VMPFELMBDRFJLC-MRXNPFEDSA-N 2 1 326.440 3.588 20 0 EHADMP Cc1ccncc1CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000571488326 1035506214 /nfs/dbraw/zinc/50/62/14/1035506214.db2.gz LJTPOSOODJGSIP-PKTZIBPZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571488326 1035506223 /nfs/dbraw/zinc/50/62/23/1035506223.db2.gz LJTPOSOODJGSIP-PKTZIBPZSA-N 2 1 349.522 3.777 20 0 EHADMP Cc1ccncc1CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571488326 1035506234 /nfs/dbraw/zinc/50/62/34/1035506234.db2.gz LJTPOSOODJGSIP-PKTZIBPZSA-N 2 1 349.522 3.777 20 0 EHADMP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230512 1035506658 /nfs/dbraw/zinc/50/66/58/1035506658.db2.gz XSKKKRVKAPBMFO-ZSXPUABSSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230512 1035506664 /nfs/dbraw/zinc/50/66/64/1035506664.db2.gz XSKKKRVKAPBMFO-ZSXPUABSSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230512 1035506673 /nfs/dbraw/zinc/50/66/73/1035506673.db2.gz XSKKKRVKAPBMFO-ZSXPUABSSA-N 2 1 330.516 3.786 20 0 EHADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000491230512 1035506682 /nfs/dbraw/zinc/50/66/82/1035506682.db2.gz XSKKKRVKAPBMFO-ZSXPUABSSA-N 2 1 330.516 3.786 20 0 EHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000282448907 1035793888 /nfs/dbraw/zinc/79/38/88/1035793888.db2.gz NQMYBUSVFNWSJN-HBMCJLEFSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000282448907 1035793905 /nfs/dbraw/zinc/79/39/05/1035793905.db2.gz NQMYBUSVFNWSJN-HBMCJLEFSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282448907 1035793916 /nfs/dbraw/zinc/79/39/16/1035793916.db2.gz NQMYBUSVFNWSJN-HBMCJLEFSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000282448907 1035793935 /nfs/dbraw/zinc/79/39/35/1035793935.db2.gz NQMYBUSVFNWSJN-HBMCJLEFSA-N 2 1 341.543 3.504 20 0 EHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282448907 1035793946 /nfs/dbraw/zinc/79/39/46/1035793946.db2.gz NQMYBUSVFNWSJN-HBMCJLEFSA-N 3 1 341.543 3.504 20 0 EHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000414169205 1035865721 /nfs/dbraw/zinc/86/57/21/1035865721.db2.gz AUNHRKCNJKMHIH-GUYCJALGSA-N 2 1 337.305 3.758 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689492 1035973136 /nfs/dbraw/zinc/97/31/36/1035973136.db2.gz ZZNROLBBKJHGQZ-LEWJYISDSA-N 2 1 344.474 3.605 20 0 EHADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000588689492 1035973149 /nfs/dbraw/zinc/97/31/49/1035973149.db2.gz ZZNROLBBKJHGQZ-LEWJYISDSA-N 2 1 344.474 3.605 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242344 1036052946 /nfs/dbraw/zinc/05/29/46/1036052946.db2.gz GAAFJTMTNSWCBI-UXHICEINSA-N 2 1 344.543 3.960 20 0 EHADMP CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242344 1036052969 /nfs/dbraw/zinc/05/29/69/1036052969.db2.gz GAAFJTMTNSWCBI-UXHICEINSA-N 2 1 344.543 3.960 20 0 EHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415633 1036084455 /nfs/dbraw/zinc/08/44/55/1036084455.db2.gz AEXXWTULAQJHFG-FXAWDEMLSA-N 2 1 343.902 3.950 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892585206 1036333138 /nfs/dbraw/zinc/33/31/38/1036333138.db2.gz RGBYQOVFTBZHDS-ZDUSSCGKSA-N 2 1 349.466 3.992 20 0 EHADMP CCC[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000191199714 1036343473 /nfs/dbraw/zinc/34/34/73/1036343473.db2.gz RVAYJCPIYXYTDY-UXHICEINSA-N 2 1 344.524 3.598 20 0 EHADMP Cc1ccc(Br)c(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000414267366 1036350254 /nfs/dbraw/zinc/35/02/54/1036350254.db2.gz SUGUXPIXQXZLNE-DVOMOZLQSA-N 2 1 325.294 3.576 20 0 EHADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1 ZINC000414279790 1036433802 /nfs/dbraw/zinc/43/38/02/1036433802.db2.gz BLSFJVIWFJZXNI-IAGOWNOFSA-N 2 1 338.499 3.553 20 0 EHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1nc(C)c(C)s1 ZINC000892595993 1036440130 /nfs/dbraw/zinc/44/01/30/1036440130.db2.gz CYVJDAOXGZWHCW-UHFFFAOYSA-N 2 1 347.528 3.770 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000398113329 1036520761 /nfs/dbraw/zinc/52/07/61/1036520761.db2.gz OOADNKZCLYMUJR-RSPOEFSDSA-N 2 1 330.516 3.690 20 0 EHADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000398113329 1036520767 /nfs/dbraw/zinc/52/07/67/1036520767.db2.gz OOADNKZCLYMUJR-RSPOEFSDSA-N 2 1 330.516 3.690 20 0 EHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCCC(C)C ZINC000192677990 1036537100 /nfs/dbraw/zinc/53/71/00/1036537100.db2.gz HWIIIZNBXGYRPM-YQQQUEKLSA-N 2 1 346.515 3.835 20 0 EHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCCC(C)C ZINC000192677990 1036537106 /nfs/dbraw/zinc/53/71/06/1036537106.db2.gz HWIIIZNBXGYRPM-YQQQUEKLSA-N 2 1 346.515 3.835 20 0 EHADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398206157 1036572367 /nfs/dbraw/zinc/57/23/67/1036572367.db2.gz QSIJUIIPHBWPNE-PGRDOPGGSA-N 2 1 338.495 3.833 20 0 EHADMP c1cc(S[C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC001168393117 1036583698 /nfs/dbraw/zinc/58/36/98/1036583698.db2.gz WEARVFVZPHWMRD-IBGZPJMESA-N 2 1 331.529 3.513 20 0 EHADMP c1cc(S[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC001168393117 1036583711 /nfs/dbraw/zinc/58/37/11/1036583711.db2.gz WEARVFVZPHWMRD-IBGZPJMESA-N 2 1 331.529 3.513 20 0 EHADMP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccnc1 ZINC000541744785 1036614058 /nfs/dbraw/zinc/61/40/58/1036614058.db2.gz NWDVRJDQFQBNEN-NRFANRHFSA-N 2 1 339.483 3.545 20 0 EHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000347431948 1036622589 /nfs/dbraw/zinc/62/25/89/1036622589.db2.gz FASGGZCWXJCEIB-BHIFYINESA-N 2 1 342.527 3.932 20 0 EHADMP COc1ccc(C2=CC[N@@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168395369 1036648613 /nfs/dbraw/zinc/64/86/13/1036648613.db2.gz XKJLQJASGVUOIX-UHFFFAOYSA-N 2 1 326.484 3.659 20 0 EHADMP COc1ccc(C2=CC[N@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168395369 1036648621 /nfs/dbraw/zinc/64/86/21/1036648621.db2.gz XKJLQJASGVUOIX-UHFFFAOYSA-N 2 1 326.484 3.659 20 0 EHADMP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414323341 1036678147 /nfs/dbraw/zinc/67/81/47/1036678147.db2.gz AFVHJFNHIORCMQ-UYAOXDASSA-N 2 1 337.511 3.859 20 0 EHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000414326068 1036683343 /nfs/dbraw/zinc/68/33/43/1036683343.db2.gz AGLGOOAZWHSIBO-CTWRKMMKSA-N 2 1 342.527 3.570 20 0 EHADMP CCCC1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000539408465 1036731197 /nfs/dbraw/zinc/73/11/97/1036731197.db2.gz WYEKIGBBXZLLPG-UEKLYDJUSA-N 2 1 335.580 3.551 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791325 1036807541 /nfs/dbraw/zinc/80/75/41/1036807541.db2.gz RPPSJZXMPBQSFA-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791325 1036807475 /nfs/dbraw/zinc/80/74/75/1036807475.db2.gz RPPSJZXMPBQSFA-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791325 1036807505 /nfs/dbraw/zinc/80/75/05/1036807505.db2.gz RPPSJZXMPBQSFA-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000464791325 1036807522 /nfs/dbraw/zinc/80/75/22/1036807522.db2.gz RPPSJZXMPBQSFA-ZDUSSCGKSA-N 2 1 331.287 3.646 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000414345316 1036825427 /nfs/dbraw/zinc/82/54/27/1036825427.db2.gz SKSZADVFFGYKMI-OSIBBQKWSA-N 2 1 330.516 3.570 20 0 EHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000414345314 1036825867 /nfs/dbraw/zinc/82/58/67/1036825867.db2.gz SKSZADVFFGYKMI-NFYVFUGESA-N 2 1 330.516 3.570 20 0 EHADMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCCC1 ZINC000310902673 1036925415 /nfs/dbraw/zinc/92/54/15/1036925415.db2.gz BEJYEEZMZSQWSS-PCCBWWKXSA-N 2 1 342.527 3.572 20 0 EHADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311002922 1036941467 /nfs/dbraw/zinc/94/14/67/1036941467.db2.gz VOAMIEZCDLJICK-GHTZIAJQSA-N 2 1 338.495 3.738 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000060978635 1036976732 /nfs/dbraw/zinc/97/67/32/1036976732.db2.gz FXJWMTXNYJPDCQ-GASCZTMLSA-N 2 1 326.431 3.746 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000060978635 1036976751 /nfs/dbraw/zinc/97/67/51/1036976751.db2.gz FXJWMTXNYJPDCQ-GASCZTMLSA-N 2 1 326.431 3.746 20 0 EHADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NC3(C)CC[NH2+]CC3)c12 ZINC001168187890 1036979526 /nfs/dbraw/zinc/97/95/26/1036979526.db2.gz WUWIHVHHUXOSKK-UHFFFAOYSA-N 2 1 327.476 3.717 20 0 EHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000647544122 1037096236 /nfs/dbraw/zinc/09/62/36/1037096236.db2.gz XBULSMWOAXLSRW-OALUTQOASA-N 2 1 344.547 3.679 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000542150327 1037116238 /nfs/dbraw/zinc/11/62/38/1037116238.db2.gz DSCWGLKNSOWUPO-CXAGYDPISA-N 2 1 337.305 3.758 20 0 EHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739434 1037140606 /nfs/dbraw/zinc/14/06/06/1037140606.db2.gz GQZFQMJVLQDQPY-LPHOPBHVSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000539739434 1037140615 /nfs/dbraw/zinc/14/06/15/1037140615.db2.gz GQZFQMJVLQDQPY-LPHOPBHVSA-N 2 1 334.467 3.896 20 0 EHADMP C[C@H]1C[C@H](NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000383765204 1037156722 /nfs/dbraw/zinc/15/67/22/1037156722.db2.gz GPMVJJUPIFCDBA-DYXWJJEUSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000383765204 1037156736 /nfs/dbraw/zinc/15/67/36/1037156736.db2.gz GPMVJJUPIFCDBA-DYXWJJEUSA-N 2 1 329.532 3.504 20 0 EHADMP C[C@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000383765204 1037156746 /nfs/dbraw/zinc/15/67/46/1037156746.db2.gz GPMVJJUPIFCDBA-DYXWJJEUSA-N 2 1 329.532 3.504 20 0 EHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000542280603 1037242659 /nfs/dbraw/zinc/24/26/59/1037242659.db2.gz ZOIDTKORPOMZDR-KNQAVFIVSA-N 2 1 343.559 3.971 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532446140 1037304678 /nfs/dbraw/zinc/30/46/78/1037304678.db2.gz WPXMQZAPIPMDQQ-IAGOWNOFSA-N 2 1 343.515 3.877 20 0 EHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000106164838 1037307653 /nfs/dbraw/zinc/30/76/53/1037307653.db2.gz GMZYBJJUQXVBCJ-UHFFFAOYSA-N 2 1 337.389 3.894 20 0 EHADMP C[N@@H+](CCCC1CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000088525249 1037379633 /nfs/dbraw/zinc/37/96/33/1037379633.db2.gz NLVRUANJEMUICC-UHFFFAOYSA-N 2 1 329.532 3.991 20 0 EHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804164 1037422878 /nfs/dbraw/zinc/42/28/78/1037422878.db2.gz CVZIANFQLVXWCF-WNOSKKOXSA-N 2 1 337.305 3.625 20 0 EHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804164 1037422887 /nfs/dbraw/zinc/42/28/87/1037422887.db2.gz CVZIANFQLVXWCF-WNOSKKOXSA-N 2 1 337.305 3.625 20 0 EHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804165 1037423763 /nfs/dbraw/zinc/42/37/63/1037423763.db2.gz CVZIANFQLVXWCF-ZFZWDLNGSA-N 2 1 337.305 3.625 20 0 EHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804165 1037423769 /nfs/dbraw/zinc/42/37/69/1037423769.db2.gz CVZIANFQLVXWCF-ZFZWDLNGSA-N 2 1 337.305 3.625 20 0 EHADMP CO[C@](C)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000462806668 1037426094 /nfs/dbraw/zinc/42/60/94/1037426094.db2.gz JZRMZTSQMKQTEP-ZHHKINOHSA-N 2 1 342.527 3.692 20 0 EHADMP COC1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377331800 1037564565 /nfs/dbraw/zinc/56/45/65/1037564565.db2.gz VNCIUBLHIQUASL-QNGMFEMESA-N 2 1 330.516 3.836 20 0 EHADMP CC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001168211982 1037646856 /nfs/dbraw/zinc/64/68/56/1037646856.db2.gz LGQSXDGOPHDENA-UHFFFAOYSA-N 2 1 348.556 3.994 20 0 EHADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000493924045 1037724887 /nfs/dbraw/zinc/72/48/87/1037724887.db2.gz GICCDJRBXORTHA-XMSQKQJNSA-N 2 1 338.495 3.801 20 0 EHADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000493924045 1037724904 /nfs/dbraw/zinc/72/49/04/1037724904.db2.gz GICCDJRBXORTHA-XMSQKQJNSA-N 2 1 338.495 3.801 20 0 EHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463074061 1037739480 /nfs/dbraw/zinc/73/94/80/1037739480.db2.gz OIOARVYCOIAIJT-FCIYXJNOSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463074061 1037739497 /nfs/dbraw/zinc/73/94/97/1037739497.db2.gz OIOARVYCOIAIJT-FCIYXJNOSA-N 2 1 343.559 3.750 20 0 EHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463074061 1037739511 /nfs/dbraw/zinc/73/95/11/1037739511.db2.gz OIOARVYCOIAIJT-FCIYXJNOSA-N 2 1 343.559 3.750 20 0 EHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463107440 1037760762 /nfs/dbraw/zinc/76/07/62/1037760762.db2.gz DIMDWAVQFDOMFG-OAQYLSRUSA-N 2 1 329.532 3.900 20 0 EHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463107440 1037760767 /nfs/dbraw/zinc/76/07/67/1037760767.db2.gz DIMDWAVQFDOMFG-OAQYLSRUSA-N 2 1 329.532 3.900 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137757 1037802289 /nfs/dbraw/zinc/80/22/89/1037802289.db2.gz MZTLAOFISKBMSO-FPOVZHCZSA-N 2 1 337.511 3.766 20 0 EHADMP C[C@H]1C[C@@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463137757 1037802308 /nfs/dbraw/zinc/80/23/08/1037802308.db2.gz MZTLAOFISKBMSO-FPOVZHCZSA-N 2 1 337.511 3.766 20 0 EHADMP C[C@H]1C[C@H](NCC[NH+]2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463140169 1037805724 /nfs/dbraw/zinc/80/57/24/1037805724.db2.gz VFBWHSBTMAHHDZ-PZJWPPBQSA-N 2 1 329.532 3.505 20 0 EHADMP CC[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125047161 1038270366 /nfs/dbraw/zinc/27/03/66/1038270366.db2.gz ADHIJMNAQPISCO-JXFKEZNVSA-N 2 1 326.488 3.686 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125047161 1038270381 /nfs/dbraw/zinc/27/03/81/1038270381.db2.gz ADHIJMNAQPISCO-JXFKEZNVSA-N 2 1 326.488 3.686 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000125452225 1038330006 /nfs/dbraw/zinc/33/00/06/1038330006.db2.gz XKJFFVVBDUZXME-SFHVURJKSA-N 2 1 341.455 3.580 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000125452225 1038330021 /nfs/dbraw/zinc/33/00/21/1038330021.db2.gz XKJFFVVBDUZXME-SFHVURJKSA-N 2 1 341.455 3.580 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704952 1038481847 /nfs/dbraw/zinc/48/18/47/1038481847.db2.gz VDGSKUGCECPOPX-APWZRJJASA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538704952 1038481850 /nfs/dbraw/zinc/48/18/50/1038481850.db2.gz VDGSKUGCECPOPX-APWZRJJASA-N 2 1 334.467 3.563 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538704952 1038481855 /nfs/dbraw/zinc/48/18/55/1038481855.db2.gz VDGSKUGCECPOPX-APWZRJJASA-N 2 1 334.467 3.563 20 0 EHADMP COc1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538796641 1038531946 /nfs/dbraw/zinc/53/19/46/1038531946.db2.gz OEGULMABQMNXPH-WBMJQRKESA-N 2 1 343.298 3.918 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cn(C)cn1 ZINC000924674194 1038557905 /nfs/dbraw/zinc/55/79/05/1038557905.db2.gz ZODAAONNKPIHPP-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cn(C)cn1 ZINC000924674194 1038557909 /nfs/dbraw/zinc/55/79/09/1038557909.db2.gz ZODAAONNKPIHPP-DLBZAZTESA-N 2 1 326.488 3.645 20 0 EHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)s1 ZINC000512355465 1038809733 /nfs/dbraw/zinc/80/97/33/1038809733.db2.gz XJIBVQXLMBZFDM-CTYIDZIISA-N 2 1 335.904 3.894 20 0 EHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000552043772 1038906798 /nfs/dbraw/zinc/90/67/98/1038906798.db2.gz BFQCTQVSEWXXNM-NQIIRXRSSA-N 2 1 332.532 3.773 20 0 EHADMP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000431895509 1038913175 /nfs/dbraw/zinc/91/31/75/1038913175.db2.gz CQMATIXQKZRSIK-IBGZPJMESA-N 2 1 331.504 3.731 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000477856144 1038965016 /nfs/dbraw/zinc/96/50/16/1038965016.db2.gz XOXCQLUSXUMARA-STZQEDGTSA-N 2 1 344.543 3.818 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477923307 1039032427 /nfs/dbraw/zinc/03/24/27/1039032427.db2.gz UONXQHDUEZUSQG-TZIWHRDSSA-N 2 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923307 1039032448 /nfs/dbraw/zinc/03/24/48/1039032448.db2.gz UONXQHDUEZUSQG-TZIWHRDSSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923307 1039032465 /nfs/dbraw/zinc/03/24/65/1039032465.db2.gz UONXQHDUEZUSQG-TZIWHRDSSA-N 3 1 343.559 3.609 20 0 EHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923307 1039032481 /nfs/dbraw/zinc/03/24/81/1039032481.db2.gz UONXQHDUEZUSQG-TZIWHRDSSA-N 2 1 343.559 3.609 20 0 EHADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552251252 1039099314 /nfs/dbraw/zinc/09/93/14/1039099314.db2.gz PPGLUIFDTODVTM-BHIFYINESA-N 2 1 337.511 3.806 20 0 EHADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552276987 1039149680 /nfs/dbraw/zinc/14/96/80/1039149680.db2.gz NSESYYVCQYNASE-KURKYZTESA-N 2 1 336.907 3.744 20 0 EHADMP COc1cccc(SCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000660113678 1039198488 /nfs/dbraw/zinc/19/84/88/1039198488.db2.gz COCVVIASBRGNLQ-UZLBHIALSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113678 1039198496 /nfs/dbraw/zinc/19/84/96/1039198496.db2.gz COCVVIASBRGNLQ-UZLBHIALSA-N 2 1 346.540 3.736 20 0 EHADMP COc1cccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113678 1039198505 /nfs/dbraw/zinc/19/85/05/1039198505.db2.gz COCVVIASBRGNLQ-UZLBHIALSA-N 2 1 346.540 3.736 20 0 EHADMP Cc1csc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522052 1039198526 /nfs/dbraw/zinc/19/85/26/1039198526.db2.gz JSKGYTGOAVZSIM-QYZOEREBSA-N 2 1 341.524 3.842 20 0 EHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000488462013 1039204599 /nfs/dbraw/zinc/20/45/99/1039204599.db2.gz VPSJVWRLAZEGER-FQEVSTJZSA-N 2 1 348.490 3.617 20 0 EHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H](C)C1 ZINC000480201893 1039303050 /nfs/dbraw/zinc/30/30/50/1039303050.db2.gz ZUPYSUPLVGHFRC-FPOVZHCZSA-N 2 1 344.543 3.835 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000480223743 1039323330 /nfs/dbraw/zinc/32/33/30/1039323330.db2.gz IQSXIJUFCKFEGP-QFIPXVFZSA-N 2 1 336.479 3.721 20 0 EHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000480223743 1039323343 /nfs/dbraw/zinc/32/33/43/1039323343.db2.gz IQSXIJUFCKFEGP-QFIPXVFZSA-N 2 1 336.479 3.721 20 0 EHADMP Cc1cnn(CCCCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000554457475 1039375871 /nfs/dbraw/zinc/37/58/71/1039375871.db2.gz FFRBXECWAURHIO-OAQYLSRUSA-N 2 1 346.563 3.950 20 0 EHADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000629500539 1039378928 /nfs/dbraw/zinc/37/89/28/1039378928.db2.gz DZISKJVSSHIDGW-CJNGLKHVSA-N 2 1 337.305 3.627 20 0 EHADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000485685904 1039422987 /nfs/dbraw/zinc/42/29/87/1039422987.db2.gz RCZOPOYINGKNEI-LPHOPBHVSA-N 2 1 343.515 3.587 20 0 EHADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000485685904 1039422994 /nfs/dbraw/zinc/42/29/94/1039422994.db2.gz RCZOPOYINGKNEI-LPHOPBHVSA-N 2 1 343.515 3.587 20 0 EHADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000485685904 1039423005 /nfs/dbraw/zinc/42/30/05/1039423005.db2.gz RCZOPOYINGKNEI-LPHOPBHVSA-N 2 1 343.515 3.587 20 0 EHADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000478547531 1039515411 /nfs/dbraw/zinc/51/54/11/1039515411.db2.gz MPVGGKYETMIZKK-OAQYLSRUSA-N 2 1 338.495 3.867 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480584395 1039712721 /nfs/dbraw/zinc/71/27/21/1039712721.db2.gz SPYHOYJGDUZMTJ-HDICACEKSA-N 2 1 347.437 3.942 20 0 EHADMP Fc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480584395 1039712733 /nfs/dbraw/zinc/71/27/33/1039712733.db2.gz SPYHOYJGDUZMTJ-HDICACEKSA-N 2 1 347.437 3.942 20 0 EHADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000480615548 1039757277 /nfs/dbraw/zinc/75/72/77/1039757277.db2.gz POVGBBMPZRCUCT-FHWLQOOXSA-N 2 1 347.547 3.541 20 0 EHADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCCC[C@@H]1C ZINC000480615548 1039757293 /nfs/dbraw/zinc/75/72/93/1039757293.db2.gz POVGBBMPZRCUCT-FHWLQOOXSA-N 2 1 347.547 3.541 20 0 EHADMP CC(C)N(C)c1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000480636490 1039812512 /nfs/dbraw/zinc/81/25/12/1039812512.db2.gz PDKZEVOUHCFSSU-KDURUIRLSA-N 2 1 346.563 3.774 20 0 EHADMP C[C@H](NCc1cc(C2CC2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660219245 1039890608 /nfs/dbraw/zinc/89/06/08/1039890608.db2.gz DUEMEZKHTVPDDK-YJBOKZPZSA-N 2 1 325.456 3.552 20 0 EHADMP COc1cc(C)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1OC ZINC000893967103 1039891872 /nfs/dbraw/zinc/89/18/72/1039891872.db2.gz ICUABQIMVAQQFH-UHFFFAOYSA-N 2 1 334.504 3.564 20 0 EHADMP CN(c1ccccc1C[N@H+]1CC(C)(C)[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000555099249 1040156523 /nfs/dbraw/zinc/15/65/23/1040156523.db2.gz MYYSTDKWKUUABK-OAQYLSRUSA-N 2 1 341.543 3.837 20 0 EHADMP C[C@H]1CCCC[N@H+]1CCCNCc1cccc(F)c1Br ZINC000156677609 1040161473 /nfs/dbraw/zinc/16/14/73/1040161473.db2.gz XPRKEEPWNDWSOW-ZDUSSCGKSA-N 2 1 343.284 3.942 20 0 EHADMP C[C@H]1C[C@@H](CCNC(=[NH2+])N2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512584753 1040203293 /nfs/dbraw/zinc/20/32/93/1040203293.db2.gz YOUPJLKPTAWQOI-AZUAARDMSA-N 2 1 342.531 3.543 20 0 EHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000565165473 1040253950 /nfs/dbraw/zinc/25/39/50/1040253950.db2.gz QMCJVRJEOVOSKB-UHFFFAOYSA-N 2 1 340.446 3.853 20 0 EHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000481040223 1040303780 /nfs/dbraw/zinc/30/37/80/1040303780.db2.gz SGVARUHPHRZBEY-STQMWFEESA-N 2 1 343.284 3.971 20 0 EHADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000479554524 1040372282 /nfs/dbraw/zinc/37/22/82/1040372282.db2.gz MCOCOJKKEUCPOP-NCYKPQTJSA-N 2 1 344.543 3.959 20 0 EHADMP C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000433051817 1040567593 /nfs/dbraw/zinc/56/75/93/1040567593.db2.gz IZOKHISGHBIKLJ-FXAWDEMLSA-N 2 1 329.532 3.837 20 0 EHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000479763460 1040601714 /nfs/dbraw/zinc/60/17/14/1040601714.db2.gz BEXZHUFBHRODCK-QGZVFWFLSA-N 2 1 347.547 3.625 20 0 EHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccc1OC(F)(F)F ZINC000481324157 1040685984 /nfs/dbraw/zinc/68/59/84/1040685984.db2.gz QJLQHRNDOYSHPT-UONOGXRCSA-N 2 1 330.394 3.968 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCSC4)[C@@H]3C2)cc1 ZINC000487562903 1040959547 /nfs/dbraw/zinc/95/95/47/1040959547.db2.gz TVFKFQXZCRCSMC-WCIQWLHISA-N 2 1 330.541 3.630 20 0 EHADMP Cc1cc(C)cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390565980 1041015270 /nfs/dbraw/zinc/01/52/70/1041015270.db2.gz NOSJQMGJFMAZHZ-QFIPXVFZSA-N 2 1 338.495 3.684 20 0 EHADMP Cc1cc(C)cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390565980 1041015284 /nfs/dbraw/zinc/01/52/84/1041015284.db2.gz NOSJQMGJFMAZHZ-QFIPXVFZSA-N 2 1 338.495 3.684 20 0 EHADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCCCC2)cc1 ZINC000481556235 1041067969 /nfs/dbraw/zinc/06/79/69/1041067969.db2.gz JEHVFFDWYZJWNI-PKOBYXMFSA-N 2 1 330.516 3.969 20 0 EHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000555802791 1041171750 /nfs/dbraw/zinc/17/17/50/1041171750.db2.gz SGIVXJJWVYMFNT-OAHLLOKOSA-N 2 1 326.406 3.869 20 0 EHADMP CC(C)[N@@H+](C)CCNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899876808 1041270093 /nfs/dbraw/zinc/27/00/93/1041270093.db2.gz OZTBTZDKFGLGBA-UHFFFAOYSA-N 2 1 327.350 3.886 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704935 1041337772 /nfs/dbraw/zinc/33/77/72/1041337772.db2.gz UWUIYZQDLQJYBJ-XUVXKRRUSA-N 2 1 330.516 3.834 20 0 EHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCO1 ZINC000390704935 1041337784 /nfs/dbraw/zinc/33/77/84/1041337784.db2.gz UWUIYZQDLQJYBJ-XUVXKRRUSA-N 2 1 330.516 3.834 20 0 EHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659879 1041757687 /nfs/dbraw/zinc/75/76/87/1041757687.db2.gz RKNLWNAHZADZFM-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659879 1041757695 /nfs/dbraw/zinc/75/76/95/1041757695.db2.gz RKNLWNAHZADZFM-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659879 1041757704 /nfs/dbraw/zinc/75/77/04/1041757704.db2.gz RKNLWNAHZADZFM-KRWDZBQOSA-N 2 1 342.405 3.545 20 0 EHADMP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000660678392 1041770376 /nfs/dbraw/zinc/77/03/76/1041770376.db2.gz TUCZGQMAZFDBOY-HXUWFJFHSA-N 2 1 328.500 3.732 20 0 EHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]2CCC[C@H]21)C1CC[NH+](C)CC1 ZINC000511872900 1041797837 /nfs/dbraw/zinc/79/78/37/1041797837.db2.gz NAHRUIISTMRNOA-XMSQKQJNSA-N 2 1 341.543 3.982 20 0 EHADMP COc1ccc([C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1F ZINC000661657609 1042241989 /nfs/dbraw/zinc/24/19/89/1042241989.db2.gz BVPRMSKXZGZWOW-GOSISDBHSA-N 2 1 331.435 3.957 20 0 EHADMP COc1ccc([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)cc1F ZINC000661657609 1042241995 /nfs/dbraw/zinc/24/19/95/1042241995.db2.gz BVPRMSKXZGZWOW-GOSISDBHSA-N 2 1 331.435 3.957 20 0 EHADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c1 ZINC000652347613 1042407807 /nfs/dbraw/zinc/40/78/07/1042407807.db2.gz GKWVIFTUNLFGFR-MUGJNUQGSA-N 2 1 330.516 3.891 20 0 EHADMP COc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662249553 1042633868 /nfs/dbraw/zinc/63/38/68/1042633868.db2.gz WUANCGIQOQHOCC-UHFFFAOYSA-N 2 1 330.859 3.626 20 0 EHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000662270461 1042648117 /nfs/dbraw/zinc/64/81/17/1042648117.db2.gz KYHFJVDIERMQGR-RXVVDRJESA-N 2 1 339.483 3.724 20 0 EHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662285082 1042655365 /nfs/dbraw/zinc/65/53/65/1042655365.db2.gz WGGOZIOGOITQEJ-FYKMYLNBSA-N 2 1 342.527 3.931 20 0 EHADMP Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294611 1042664384 /nfs/dbraw/zinc/66/43/84/1042664384.db2.gz CRMICJDKTFCFCN-QGZVFWFLSA-N 2 1 343.446 3.692 20 0 EHADMP CCCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000062427166 1042672183 /nfs/dbraw/zinc/67/21/83/1042672183.db2.gz PAUSEDWMEJOQTQ-SFHVURJKSA-N 2 1 334.504 3.694 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)[C@@H]1CCC[NH3+] ZINC000662312274 1042677235 /nfs/dbraw/zinc/67/72/35/1042677235.db2.gz AMWLJJUACCOSOY-HUUCEWRRSA-N 2 1 348.516 3.570 20 0 EHADMP CC(C)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000663322808 1042681565 /nfs/dbraw/zinc/68/15/65/1042681565.db2.gz BHBJJEAUPMZTNX-JOCHJYFZSA-N 2 1 338.495 3.666 20 0 EHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCO1 ZINC000662323114 1042684804 /nfs/dbraw/zinc/68/48/04/1042684804.db2.gz LBRMABIMDWQNJK-HXUWFJFHSA-N 2 1 344.524 3.958 20 0 EHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662675402 1042826638 /nfs/dbraw/zinc/82/66/38/1042826638.db2.gz MUDBJSSKCUYDSQ-INIZCTEOSA-N 2 1 341.499 3.674 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468749 1042894254 /nfs/dbraw/zinc/89/42/54/1042894254.db2.gz MLRJIXOWCCCWBC-CBQOVEMMSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000663468749 1042894256 /nfs/dbraw/zinc/89/42/56/1042894256.db2.gz MLRJIXOWCCCWBC-CBQOVEMMSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000663468749 1042894259 /nfs/dbraw/zinc/89/42/59/1042894259.db2.gz MLRJIXOWCCCWBC-CBQOVEMMSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467611 1042895705 /nfs/dbraw/zinc/89/57/05/1042895705.db2.gz GWYRRQBPQPMOOT-UZKOGDIHSA-N 2 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663467611 1042895709 /nfs/dbraw/zinc/89/57/09/1042895709.db2.gz GWYRRQBPQPMOOT-UZKOGDIHSA-N 3 1 347.591 3.741 20 0 EHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663467611 1042895714 /nfs/dbraw/zinc/89/57/14/1042895714.db2.gz GWYRRQBPQPMOOT-UZKOGDIHSA-N 3 1 347.591 3.741 20 0 EHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786131 1042975507 /nfs/dbraw/zinc/97/55/07/1042975507.db2.gz VWROXGHDTKGTDO-RNCFNFMXSA-N 2 1 335.225 3.815 20 0 EHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001167836212 1043042717 /nfs/dbraw/zinc/04/27/17/1043042717.db2.gz XRJWTFHSZWKMOW-OALUTQOASA-N 2 1 333.520 3.744 20 0 EHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278977342 1043116428 /nfs/dbraw/zinc/11/64/28/1043116428.db2.gz OHMVVMULUHATPI-JSGCOSHPSA-N 2 1 332.517 3.859 20 0 EHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419055 1043146011 /nfs/dbraw/zinc/14/60/11/1043146011.db2.gz YOMZVRKHBMWMAV-ICSRJNTNSA-N 2 1 330.516 3.771 20 0 EHADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1OC(F)F ZINC000279021655 1043204027 /nfs/dbraw/zinc/20/40/27/1043204027.db2.gz UXEIBRRBJBFFGH-HIFRSBDPSA-N 2 1 335.398 3.788 20 0 EHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344097126 1043238184 /nfs/dbraw/zinc/23/81/84/1043238184.db2.gz IFZGPOMHOGNJOV-NHCUHLMSSA-N 2 1 330.516 3.600 20 0 EHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107214 1043259142 /nfs/dbraw/zinc/25/91/42/1043259142.db2.gz QGUMFBICEQTBSO-VXGBXAGGSA-N 2 1 331.323 3.811 20 0 EHADMP COCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512176353 1043645886 /nfs/dbraw/zinc/64/58/86/1043645886.db2.gz CGGHUHCRWFCXJG-OAQYLSRUSA-N 2 1 330.516 3.777 20 0 EHADMP COCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512176353 1043645893 /nfs/dbraw/zinc/64/58/93/1043645893.db2.gz CGGHUHCRWFCXJG-OAQYLSRUSA-N 2 1 330.516 3.777 20 0 EHADMP C[C@@H]1[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000310253725 1043932992 /nfs/dbraw/zinc/93/29/92/1043932992.db2.gz XKHCTAKZMOYMPZ-APWZRJJASA-N 2 1 329.532 3.548 20 0 EHADMP C[C@@H]1[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000310253725 1043932999 /nfs/dbraw/zinc/93/29/99/1043932999.db2.gz XKHCTAKZMOYMPZ-APWZRJJASA-N 2 1 329.532 3.548 20 0 EHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000344664890 1044262312 /nfs/dbraw/zinc/26/23/12/1044262312.db2.gz IZBYVZDABFTJCG-AEFFLSMTSA-N 2 1 325.456 3.755 20 0 EHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344680531 1044281123 /nfs/dbraw/zinc/28/11/23/1044281123.db2.gz NUARUHMJLCBULF-DYVFJYSZSA-N 2 1 346.906 3.715 20 0 EHADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000261622204 1044719391 /nfs/dbraw/zinc/71/93/91/1044719391.db2.gz GFUJRPVINKORDM-PCCBWWKXSA-N 2 1 329.532 3.539 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000414228973 1125621845 /nfs/dbraw/zinc/62/18/45/1125621845.db2.gz YWVWHMOWPCPGEB-PDGJWGCVSA-N 2 1 336.479 3.724 20 0 EHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000414228973 1125621848 /nfs/dbraw/zinc/62/18/48/1125621848.db2.gz YWVWHMOWPCPGEB-PDGJWGCVSA-N 2 1 336.479 3.724 20 0 EHADMP C[C@H]([NH2+]C1(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000153840770 1125666359 /nfs/dbraw/zinc/66/63/59/1125666359.db2.gz MFNGZYXXJAJMNY-BJLQDIEVSA-N 2 1 329.532 3.580 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192167449 1126777123 /nfs/dbraw/zinc/77/71/23/1126777123.db2.gz MOZLOZSBLGAVFY-GFCCVEGCSA-N 2 1 331.685 3.534 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCCC(C)C ZINC000174516146 1126854621 /nfs/dbraw/zinc/85/46/21/1126854621.db2.gz JLFKROXJQUJMBN-FUHWJXTLSA-N 2 1 334.504 3.692 20 0 EHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCCC(C)C ZINC000174516146 1126854622 /nfs/dbraw/zinc/85/46/22/1126854622.db2.gz JLFKROXJQUJMBN-FUHWJXTLSA-N 2 1 334.504 3.692 20 0 EHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727097 1126860366 /nfs/dbraw/zinc/86/03/66/1126860366.db2.gz DZDJCGIDGGQHEC-GOSISDBHSA-N 2 1 331.548 3.614 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931674 /nfs/dbraw/zinc/93/16/74/1126931674.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931678 /nfs/dbraw/zinc/93/16/78/1126931678.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931681 /nfs/dbraw/zinc/93/16/81/1126931681.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931684 /nfs/dbraw/zinc/93/16/84/1126931684.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931688 /nfs/dbraw/zinc/93/16/88/1126931688.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 3 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931692 /nfs/dbraw/zinc/93/16/92/1126931692.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 2 1 343.559 3.881 20 0 EHADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)C1 ZINC000623357227 1126931694 /nfs/dbraw/zinc/93/16/94/1126931694.db2.gz DOKRBECBGFCSFD-RXVVDRJESA-N 2 1 343.559 3.881 20 0 EHADMP CC[N@H+]1CCC[C@@H](CNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623385037 1126939643 /nfs/dbraw/zinc/93/96/43/1126939643.db2.gz ZCGNHTOEMRENFT-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623385037 1126939646 /nfs/dbraw/zinc/93/96/46/1126939646.db2.gz ZCGNHTOEMRENFT-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623385037 1126939648 /nfs/dbraw/zinc/93/96/48/1126939648.db2.gz ZCGNHTOEMRENFT-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623413300 1126947894 /nfs/dbraw/zinc/94/78/94/1126947894.db2.gz QVOWWFCBCNZSIB-OAHLLOKOSA-N 2 1 325.294 3.720 20 0 EHADMP CC(C)Oc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623525545 1126974924 /nfs/dbraw/zinc/97/49/24/1126974924.db2.gz RCNAMLBKVTYYHL-AZUAARDMSA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525545 1126974928 /nfs/dbraw/zinc/97/49/28/1126974928.db2.gz RCNAMLBKVTYYHL-AZUAARDMSA-N 2 1 347.547 3.539 20 0 EHADMP CC(C)Oc1ccc([C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525545 1126974931 /nfs/dbraw/zinc/97/49/31/1126974931.db2.gz RCNAMLBKVTYYHL-AZUAARDMSA-N 2 1 347.547 3.539 20 0 EHADMP c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000623853694 1127202409 /nfs/dbraw/zinc/20/24/09/1127202409.db2.gz DTPZLFJFJRMHMY-KRWDZBQOSA-N 2 1 327.497 3.906 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCCCO1 ZINC000623898695 1127209483 /nfs/dbraw/zinc/20/94/83/1127209483.db2.gz OQAYLEFVDIKWHO-LAUBAEHRSA-N 2 1 342.483 3.959 20 0 EHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623923404 1127217055 /nfs/dbraw/zinc/21/70/55/1127217055.db2.gz ADDNBVFMBRPJCI-JYRKZWEQSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623941153 1127219592 /nfs/dbraw/zinc/21/95/92/1127219592.db2.gz KWMFQEHUJAUCAO-GOSISDBHSA-N 2 1 347.572 3.829 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCCO1 ZINC000623979035 1127226818 /nfs/dbraw/zinc/22/68/18/1127226818.db2.gz OCUWZRWCEMMDSE-YSIASYRMSA-N 2 1 330.516 3.834 20 0 EHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCCCO1 ZINC000623979035 1127226821 /nfs/dbraw/zinc/22/68/21/1127226821.db2.gz OCUWZRWCEMMDSE-YSIASYRMSA-N 2 1 330.516 3.834 20 0 EHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000624095821 1127249587 /nfs/dbraw/zinc/24/95/87/1127249587.db2.gz NEAPDKRCHWUFCM-KSSFIOAISA-N 2 1 348.441 3.561 20 0 EHADMP COC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121086 1127255763 /nfs/dbraw/zinc/25/57/63/1127255763.db2.gz NVROTCJZXQNMIX-PBHICJAKSA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121086 1127255765 /nfs/dbraw/zinc/25/57/65/1127255765.db2.gz NVROTCJZXQNMIX-PBHICJAKSA-N 2 1 344.421 3.714 20 0 EHADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000624121086 1127255766 /nfs/dbraw/zinc/25/57/66/1127255766.db2.gz NVROTCJZXQNMIX-PBHICJAKSA-N 2 1 344.421 3.714 20 0 EHADMP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000181722014 1127291228 /nfs/dbraw/zinc/29/12/28/1127291228.db2.gz JTXOVHAENSYQLS-IAGOWNOFSA-N 2 1 343.515 3.590 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccccc2Br)CC[N@@H+]1C ZINC000181946735 1127303718 /nfs/dbraw/zinc/30/37/18/1127303718.db2.gz YHKYFJUGYXUDFH-GOEBONIOSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccccc2Br)CC[N@H+]1C ZINC000181946735 1127303722 /nfs/dbraw/zinc/30/37/22/1127303722.db2.gz YHKYFJUGYXUDFH-GOEBONIOSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946735 1127303726 /nfs/dbraw/zinc/30/37/26/1127303726.db2.gz YHKYFJUGYXUDFH-GOEBONIOSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccccc2Br)CC[NH+]1C ZINC000181946735 1127303728 /nfs/dbraw/zinc/30/37/28/1127303728.db2.gz YHKYFJUGYXUDFH-GOEBONIOSA-N 2 1 339.321 3.796 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000183322976 1127372322 /nfs/dbraw/zinc/37/23/22/1127372322.db2.gz JVFZSBJMIPDOOB-IIYDPXPESA-N 2 1 345.314 3.828 20 0 EHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254500 1127423136 /nfs/dbraw/zinc/42/31/36/1127423136.db2.gz VMZSYCHCSHEMAI-FUHWJXTLSA-N 2 1 336.495 3.677 20 0 EHADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000921513743 1127617326 /nfs/dbraw/zinc/61/73/26/1127617326.db2.gz UQHUYNPTGXVIAR-UHFFFAOYSA-N 2 1 334.895 3.757 20 0 EHADMP CCOC1CC(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000671683062 1127893691 /nfs/dbraw/zinc/89/36/91/1127893691.db2.gz LGRMRZGASHRIQV-MWXLCCTBSA-N 2 1 330.516 3.646 20 0 EHADMP CCOC1CC(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671683062 1127893696 /nfs/dbraw/zinc/89/36/96/1127893696.db2.gz LGRMRZGASHRIQV-MWXLCCTBSA-N 2 1 330.516 3.646 20 0 EHADMP CCOC1CC(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671683062 1127893700 /nfs/dbraw/zinc/89/37/00/1127893700.db2.gz LGRMRZGASHRIQV-MWXLCCTBSA-N 2 1 330.516 3.646 20 0 EHADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168584871 1128104554 /nfs/dbraw/zinc/10/45/54/1128104554.db2.gz OHQBDZYANYVESD-ICSRJNTNSA-N 2 1 334.504 3.627 20 0 EHADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168584871 1128104558 /nfs/dbraw/zinc/10/45/58/1128104558.db2.gz OHQBDZYANYVESD-ICSRJNTNSA-N 2 1 334.504 3.627 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000623656877 1128452178 /nfs/dbraw/zinc/45/21/78/1128452178.db2.gz DOEXVYZRMLGNRT-NEPJUHHUSA-N 2 1 331.323 3.893 20 0 EHADMP C[N@@H+]1Cc2c(Nc3cccnc3N)cccc2[C@@H](c2ccccc2)C1 ZINC001212405453 1128454864 /nfs/dbraw/zinc/45/48/64/1128454864.db2.gz BTCSYHDNIIUXPZ-QGZVFWFLSA-N 2 1 330.435 3.985 20 0 EHADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC2CCCCC2)n1 ZINC000166418584 1128461993 /nfs/dbraw/zinc/46/19/93/1128461993.db2.gz ATRMDPRUWSOCHW-QZTJIDSGSA-N 2 1 329.488 3.510 20 0 EHADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCCCC2)n1 ZINC000166418584 1128461997 /nfs/dbraw/zinc/46/19/97/1128461997.db2.gz ATRMDPRUWSOCHW-QZTJIDSGSA-N 2 1 329.488 3.510 20 0 EHADMP FC(F)Sc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843125211 1128510639 /nfs/dbraw/zinc/51/06/39/1128510639.db2.gz OCNLEZUKHFXDCZ-LSDHHAIUSA-N 2 1 326.456 3.823 20 0 EHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C2CCCC2)c1 ZINC000921686982 1128520960 /nfs/dbraw/zinc/52/09/60/1128520960.db2.gz TUMQBEBGRSBZER-UHFFFAOYSA-N 2 1 340.515 3.819 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000338705026 1128724103 /nfs/dbraw/zinc/72/41/03/1128724103.db2.gz FDQNRVHYDHFXAO-UHFFFAOYSA-N 2 1 338.238 3.564 20 0 EHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(F)cc3)CC2)cs1 ZINC000111397356 1120020410 /nfs/dbraw/zinc/02/04/10/1120020410.db2.gz YRDVFELVOSPOKQ-UHFFFAOYSA-N 2 1 347.503 3.846 20 0 EHADMP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000065981942 1120056012 /nfs/dbraw/zinc/05/60/12/1120056012.db2.gz HUHGVQOTDBEPAQ-UHFFFAOYSA-N 2 1 332.536 3.772 20 0 EHADMP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000065981925 1120056403 /nfs/dbraw/zinc/05/64/03/1120056403.db2.gz ZFJZDOZCHUPRRN-UHFFFAOYSA-N 2 1 332.536 3.842 20 0 EHADMP Cc1ccc(CNCCC[N@H+](C)CC(C)C)c(Br)c1 ZINC001657627348 1120099033 /nfs/dbraw/zinc/09/90/33/1120099033.db2.gz ACVDLDKKJSMNJU-UHFFFAOYSA-N 2 1 327.310 3.825 20 0 EHADMP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@H](OC(C)C)C3(C)C)CC2)[nH+]c1 ZINC000185230108 1120405455 /nfs/dbraw/zinc/40/54/55/1120405455.db2.gz YVUXYQTZFFOPMG-MSOLQXFVSA-N 2 1 331.504 3.541 20 0 EHADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186150687 1120445742 /nfs/dbraw/zinc/44/57/42/1120445742.db2.gz PSFYJXYGWOQDEX-FUHWJXTLSA-N 2 1 344.524 3.972 20 0 EHADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000186150687 1120445745 /nfs/dbraw/zinc/44/57/45/1120445745.db2.gz PSFYJXYGWOQDEX-FUHWJXTLSA-N 2 1 344.524 3.972 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCCS4)[C@H]3C2)cc1 ZINC000542484392 1120572769 /nfs/dbraw/zinc/57/27/69/1120572769.db2.gz YPFSXSRWMNUEEG-MUGJNUQGSA-N 2 1 330.541 3.772 20 0 EHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(Cl)c1 ZINC000191383399 1120671461 /nfs/dbraw/zinc/67/14/61/1120671461.db2.gz RANKECINJFSQDZ-MAZHCROVSA-N 2 1 342.936 3.820 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386539 1120671560 /nfs/dbraw/zinc/67/15/60/1120671560.db2.gz VITBRIAYLGBSCV-WMZOPIPTSA-N 2 1 334.552 3.965 20 0 EHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1C(C)(C)C ZINC000191386539 1120671562 /nfs/dbraw/zinc/67/15/62/1120671562.db2.gz VITBRIAYLGBSCV-WMZOPIPTSA-N 2 1 334.552 3.965 20 0 EHADMP C[C@H](C[NH2+][C@H](C)c1ccnn1-c1ccccc1)C[NH+]1CCCCC1 ZINC000467390339 1120751221 /nfs/dbraw/zinc/75/12/21/1120751221.db2.gz OEKHBYJVQGCQTQ-QZTJIDSGSA-N 2 1 326.488 3.645 20 0 EHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000112710186 1128944769 /nfs/dbraw/zinc/94/47/69/1128944769.db2.gz PDXZELSEPABEPF-LLVKDONJSA-N 2 1 343.805 3.872 20 0 EHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168472689 1120885433 /nfs/dbraw/zinc/88/54/33/1120885433.db2.gz BQLRJSSTPWKHNI-LRQRDZAKSA-N 2 1 341.474 3.924 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494922621 1120906150 /nfs/dbraw/zinc/90/61/50/1120906150.db2.gz JZDQZXFXGMYRIH-SCTDSRPQSA-N 2 1 347.551 3.774 20 0 EHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000236704417 1121460887 /nfs/dbraw/zinc/46/08/87/1121460887.db2.gz PXXGEAXOTFITJR-CYVLTUHYSA-N 2 1 336.479 3.712 20 0 EHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCSC4)[C@H]3C2)cc1 ZINC000393909433 1121671399 /nfs/dbraw/zinc/67/13/99/1121671399.db2.gz AOIJEKZMUSQAQU-MUGJNUQGSA-N 2 1 330.541 3.630 20 0 EHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496956928 1122218782 /nfs/dbraw/zinc/21/87/82/1122218782.db2.gz LYYNUZZGDKIVGB-DOTOQJQBSA-N 2 1 347.503 3.914 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)cc2c1 ZINC000127768343 1122506598 /nfs/dbraw/zinc/50/65/98/1122506598.db2.gz CXXACADGGULJDL-INIZCTEOSA-N 2 1 330.472 3.899 20 0 EHADMP COc1ccc2oc(C[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)cc2c1 ZINC000127768343 1122506601 /nfs/dbraw/zinc/50/66/01/1122506601.db2.gz CXXACADGGULJDL-INIZCTEOSA-N 2 1 330.472 3.899 20 0 EHADMP C[C@@H](CCn1cccn1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000497824473 1122678076 /nfs/dbraw/zinc/67/80/76/1122678076.db2.gz ZWGACALXWWAHGF-OALUTQOASA-N 2 1 340.515 3.915 20 0 EHADMP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000129286302 1122760287 /nfs/dbraw/zinc/76/02/87/1122760287.db2.gz UFVYAFUPDRTAGD-PMACEKPBSA-N 2 1 332.557 3.957 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243861 1122894888 /nfs/dbraw/zinc/89/48/88/1122894888.db2.gz PRXBWMBASDVXBD-MJGOQNOKSA-N 2 1 334.467 3.507 20 0 EHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000556243861 1122894896 /nfs/dbraw/zinc/89/48/96/1122894896.db2.gz PRXBWMBASDVXBD-MJGOQNOKSA-N 2 1 334.467 3.507 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000556241578 1122900399 /nfs/dbraw/zinc/90/03/99/1122900399.db2.gz NVISLCXTHAWMLT-ACRUOGEOSA-N 2 1 330.516 3.600 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000556241578 1122900403 /nfs/dbraw/zinc/90/04/03/1122900403.db2.gz NVISLCXTHAWMLT-ACRUOGEOSA-N 2 1 330.516 3.600 20 0 EHADMP COCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556858886 1123155250 /nfs/dbraw/zinc/15/52/50/1123155250.db2.gz OWOYYAINHHHATQ-QHAWAJNXSA-N 2 1 330.516 3.693 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@H]2CCC[C@H]21 ZINC000556870634 1123159969 /nfs/dbraw/zinc/15/99/69/1123159969.db2.gz HEZIZOGWXDHSQP-HZSPNIEDSA-N 2 1 343.334 3.516 20 0 EHADMP CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556870129 1123160739 /nfs/dbraw/zinc/16/07/39/1123160739.db2.gz DAPNDGQFYSILFQ-RYFAJOAYSA-N 2 1 344.543 3.675 20 0 EHADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000556887328 1123168012 /nfs/dbraw/zinc/16/80/12/1123168012.db2.gz URUZAMIVUUHKHL-ACRUOGEOSA-N 2 1 327.516 3.957 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321421 1123219288 /nfs/dbraw/zinc/21/92/88/1123219288.db2.gz SIGGRSMNFFJECA-GJYPPUQNSA-N 2 1 331.504 3.611 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000132321421 1123219292 /nfs/dbraw/zinc/21/92/92/1123219292.db2.gz SIGGRSMNFFJECA-GJYPPUQNSA-N 2 1 331.504 3.611 20 0 EHADMP CCCC[N@@H+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499239383 1123291527 /nfs/dbraw/zinc/29/15/27/1123291527.db2.gz JBFDFUXAPGLNFW-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP CCCC[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499239383 1123291530 /nfs/dbraw/zinc/29/15/30/1123291530.db2.gz JBFDFUXAPGLNFW-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP CCCC[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499239383 1123291533 /nfs/dbraw/zinc/29/15/33/1123291533.db2.gz JBFDFUXAPGLNFW-WKCHPHFGSA-N 2 1 329.532 3.504 20 0 EHADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134919013 1123564764 /nfs/dbraw/zinc/56/47/64/1123564764.db2.gz FESUDMINQADNPZ-QUCCMNQESA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919013 1123564768 /nfs/dbraw/zinc/56/47/68/1123564768.db2.gz FESUDMINQADNPZ-QUCCMNQESA-N 2 1 328.500 3.713 20 0 EHADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919013 1123564771 /nfs/dbraw/zinc/56/47/71/1123564771.db2.gz FESUDMINQADNPZ-QUCCMNQESA-N 2 1 328.500 3.713 20 0 EHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000136384666 1123692114 /nfs/dbraw/zinc/69/21/14/1123692114.db2.gz XQCXMPIBEYYGJL-UHFFFAOYSA-N 2 1 336.277 3.519 20 0 EHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000136384666 1123692116 /nfs/dbraw/zinc/69/21/16/1123692116.db2.gz XQCXMPIBEYYGJL-UHFFFAOYSA-N 2 1 336.277 3.519 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096104 1123775124 /nfs/dbraw/zinc/77/51/24/1123775124.db2.gz JGBVZMYRLNOCJA-QAPCUYQASA-N 2 1 329.513 3.972 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096104 1123775125 /nfs/dbraw/zinc/77/51/25/1123775125.db2.gz JGBVZMYRLNOCJA-QAPCUYQASA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096104 1123775128 /nfs/dbraw/zinc/77/51/28/1123775128.db2.gz JGBVZMYRLNOCJA-QAPCUYQASA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096104 1123775130 /nfs/dbraw/zinc/77/51/30/1123775130.db2.gz JGBVZMYRLNOCJA-QAPCUYQASA-N 2 1 329.513 3.972 20 0 EHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423064 1123822947 /nfs/dbraw/zinc/82/29/47/1123822947.db2.gz JGBVZMYRLNOCJA-MAUKXSAKSA-N 2 1 329.513 3.972 20 0 EHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423064 1123822949 /nfs/dbraw/zinc/82/29/49/1123822949.db2.gz JGBVZMYRLNOCJA-MAUKXSAKSA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423064 1123822950 /nfs/dbraw/zinc/82/29/50/1123822950.db2.gz JGBVZMYRLNOCJA-MAUKXSAKSA-N 2 1 329.513 3.972 20 0 EHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423064 1123822952 /nfs/dbraw/zinc/82/29/52/1123822952.db2.gz JGBVZMYRLNOCJA-MAUKXSAKSA-N 2 1 329.513 3.972 20 0 EHADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000138170060 1123848785 /nfs/dbraw/zinc/84/87/85/1123848785.db2.gz UFFZZGMLIUXOQW-GOSISDBHSA-N 2 1 340.515 3.826 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741707 1123942356 /nfs/dbraw/zinc/94/23/56/1123942356.db2.gz LZMGXBFWPPNPTA-WFASDCNBSA-N 2 1 330.394 3.589 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741707 1123942358 /nfs/dbraw/zinc/94/23/58/1123942358.db2.gz LZMGXBFWPPNPTA-WFASDCNBSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741707 1123942361 /nfs/dbraw/zinc/94/23/61/1123942361.db2.gz LZMGXBFWPPNPTA-WFASDCNBSA-N 2 1 330.394 3.589 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000245741707 1123942364 /nfs/dbraw/zinc/94/23/64/1123942364.db2.gz LZMGXBFWPPNPTA-WFASDCNBSA-N 2 1 330.394 3.589 20 0 EHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000246209073 1124054387 /nfs/dbraw/zinc/05/43/87/1124054387.db2.gz YLZBZRPZAYQPPV-NRFANRHFSA-N 2 1 347.522 3.674 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246485174 1124482412 /nfs/dbraw/zinc/48/24/12/1124482412.db2.gz RNNXIYPBLUFQHK-LMMKCTJWSA-N 2 1 346.515 3.749 20 0 EHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246485174 1124482415 /nfs/dbraw/zinc/48/24/15/1124482415.db2.gz RNNXIYPBLUFQHK-LMMKCTJWSA-N 2 1 346.515 3.749 20 0 EHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246859191 1124559187 /nfs/dbraw/zinc/55/91/87/1124559187.db2.gz CLGAURDOBMIKQI-VRRQFBSDSA-N 2 1 330.516 3.781 20 0 EHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000246913315 1124565273 /nfs/dbraw/zinc/56/52/73/1124565273.db2.gz FYJYATXWQPAQSA-HZSPNIEDSA-N 2 1 344.421 3.644 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000247082685 1124587220 /nfs/dbraw/zinc/58/72/20/1124587220.db2.gz RBIYFIUAWZJCAA-WOIUINJBSA-N 3 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)CC1 ZINC000247082685 1124587226 /nfs/dbraw/zinc/58/72/26/1124587226.db2.gz RBIYFIUAWZJCAA-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000247082685 1124587232 /nfs/dbraw/zinc/58/72/32/1124587232.db2.gz RBIYFIUAWZJCAA-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)c2)CC1 ZINC000247082685 1124587238 /nfs/dbraw/zinc/58/72/38/1124587238.db2.gz RBIYFIUAWZJCAA-WOIUINJBSA-N 2 1 343.559 3.737 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589492 /nfs/dbraw/zinc/58/94/92/1124589492.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 3 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589496 /nfs/dbraw/zinc/58/94/96/1124589496.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589501 /nfs/dbraw/zinc/58/95/01/1124589501.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589503 /nfs/dbraw/zinc/58/95/03/1124589503.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589510 /nfs/dbraw/zinc/58/95/10/1124589510.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589515 /nfs/dbraw/zinc/58/95/15/1124589515.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589520 /nfs/dbraw/zinc/58/95/20/1124589520.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589523 /nfs/dbraw/zinc/58/95/23/1124589523.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000247114085 1124589530 /nfs/dbraw/zinc/58/95/30/1124589530.db2.gz QTJQJKBRQMRHQH-JPAWQOSXSA-N 2 1 343.559 3.879 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@@H](C)C1 ZINC000247190562 1124594146 /nfs/dbraw/zinc/59/41/46/1124594146.db2.gz ZZGLMDGXFMVIMX-QFBILLFUSA-N 2 1 338.923 3.609 20 0 EHADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248396023 1124656020 /nfs/dbraw/zinc/65/60/20/1124656020.db2.gz GRAURUWPANCTCH-PSWRPDDJSA-N 2 1 344.543 3.675 20 0 EHADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248411041 1124659450 /nfs/dbraw/zinc/65/94/50/1124659450.db2.gz HVPAIMYUZUGIKR-IJXRJRJASA-N 2 1 330.516 3.690 20 0 EHADMP C([NH+]1CCC[C@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)COC1 ZINC000248436985 1124663252 /nfs/dbraw/zinc/66/32/52/1124663252.db2.gz SKKXQJYPEVADEB-FGYAAKKASA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436985 1124663258 /nfs/dbraw/zinc/66/32/58/1124663258.db2.gz SKKXQJYPEVADEB-FGYAAKKASA-N 2 1 332.532 3.532 20 0 EHADMP C([NH+]1CCC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436985 1124663261 /nfs/dbraw/zinc/66/32/61/1124663261.db2.gz SKKXQJYPEVADEB-FGYAAKKASA-N 2 1 332.532 3.532 20 0 EHADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248447562 1124664130 /nfs/dbraw/zinc/66/41/30/1124664130.db2.gz NLGVKBOGIFDJQI-HTAPYJJXSA-N 2 1 338.495 3.666 20 0 EHADMP CC[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000649417105 1124728170 /nfs/dbraw/zinc/72/81/70/1124728170.db2.gz XYDPMLGJFIOJCA-MLGOLLRUSA-N 2 1 348.288 3.557 20 0 EHADMP CC[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000649417105 1124728177 /nfs/dbraw/zinc/72/81/77/1124728177.db2.gz XYDPMLGJFIOJCA-MLGOLLRUSA-N 2 1 348.288 3.557 20 0 EHADMP C[C@H](CCc1cccc(F)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594654 1124823787 /nfs/dbraw/zinc/82/37/87/1124823787.db2.gz DJRRFKNULCCLJU-GOSISDBHSA-N 2 1 348.506 3.772 20 0 EHADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H](C)c1ccccc1 ZINC000089595088 1124824021 /nfs/dbraw/zinc/82/40/21/1124824021.db2.gz XKWZKGJPQACPQU-RTBURBONSA-N 2 1 330.516 3.803 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082766 1124942875 /nfs/dbraw/zinc/94/28/75/1124942875.db2.gz PUHFKXVKWVSHDI-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccncc2F)C1 ZINC000449082766 1124942878 /nfs/dbraw/zinc/94/28/78/1124942878.db2.gz PUHFKXVKWVSHDI-CALCHBBNSA-N 2 1 341.474 3.988 20 0 EHADMP CCC[N@@H+](Cc1ccc(C)c(Br)c1F)C[C@H]1CC[NH2+]C1 ZINC001236844274 1125047307 /nfs/dbraw/zinc/04/73/07/1125047307.db2.gz RLUUYCJENQGLFM-ZDUSSCGKSA-N 2 1 343.284 3.718 20 0 EHADMP CCC[N@H+](Cc1ccc(C)c(Br)c1F)C[C@H]1CC[NH2+]C1 ZINC001236844274 1125047314 /nfs/dbraw/zinc/04/73/14/1125047314.db2.gz RLUUYCJENQGLFM-ZDUSSCGKSA-N 2 1 343.284 3.718 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093598075 1125273485 /nfs/dbraw/zinc/27/34/85/1125273485.db2.gz XUAVEYXOTFMCTA-HNNXBMFYSA-N 2 1 328.378 3.503 20 0 EHADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093598075 1125273488 /nfs/dbraw/zinc/27/34/88/1125273488.db2.gz XUAVEYXOTFMCTA-HNNXBMFYSA-N 2 1 328.378 3.503 20 0 EHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644900 1125281156 /nfs/dbraw/zinc/28/11/56/1125281156.db2.gz GLYKYLSCYZTKRN-JKIFEVAISA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644900 1125281159 /nfs/dbraw/zinc/28/11/59/1125281159.db2.gz GLYKYLSCYZTKRN-JKIFEVAISA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644900 1125281164 /nfs/dbraw/zinc/28/11/64/1125281164.db2.gz GLYKYLSCYZTKRN-JKIFEVAISA-N 2 1 339.321 3.967 20 0 EHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000093644900 1125281167 /nfs/dbraw/zinc/28/11/67/1125281167.db2.gz GLYKYLSCYZTKRN-JKIFEVAISA-N 2 1 339.321 3.967 20 0 EHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770173 1125307508 /nfs/dbraw/zinc/30/75/08/1125307508.db2.gz LHXIJOVNUHHTOY-HNNXBMFYSA-N 2 1 326.431 3.678 20 0 EHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770173 1125307511 /nfs/dbraw/zinc/30/75/11/1125307511.db2.gz LHXIJOVNUHHTOY-HNNXBMFYSA-N 2 1 326.431 3.678 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770173 1125307514 /nfs/dbraw/zinc/30/75/14/1125307514.db2.gz LHXIJOVNUHHTOY-HNNXBMFYSA-N 2 1 326.431 3.678 20 0 EHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000093770173 1125307518 /nfs/dbraw/zinc/30/75/18/1125307518.db2.gz LHXIJOVNUHHTOY-HNNXBMFYSA-N 2 1 326.431 3.678 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000261969011 1125393035 /nfs/dbraw/zinc/39/30/35/1125393035.db2.gz YTAXQSUCSLPJSP-IAOVAPTHSA-N 2 1 331.847 3.554 20 0 EHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000261969011 1125393037 /nfs/dbraw/zinc/39/30/37/1125393037.db2.gz YTAXQSUCSLPJSP-IAOVAPTHSA-N 2 1 331.847 3.554 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000182914314 1125400735 /nfs/dbraw/zinc/40/07/35/1125400735.db2.gz TZOCFIUAMTVQLD-ROUUACIJSA-N 3 1 347.547 3.529 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)ccc1OC ZINC000182914314 1125400737 /nfs/dbraw/zinc/40/07/37/1125400737.db2.gz TZOCFIUAMTVQLD-ROUUACIJSA-N 2 1 347.547 3.529 20 0 EHADMP CC(C)O[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702330 1125410608 /nfs/dbraw/zinc/41/06/08/1125410608.db2.gz BAXWZEPVXQHJOZ-PMACEKPBSA-N 2 1 340.552 3.545 20 0 EHADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000765978242 1129383832 /nfs/dbraw/zinc/38/38/32/1129383832.db2.gz TYTOYBFMXYJJDD-SFTDATJTSA-N 2 1 346.515 3.769 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cnc2ccsc2c1 ZINC000765978093 1129387843 /nfs/dbraw/zinc/38/78/43/1129387843.db2.gz SIQOKXOPMZECEF-RHSMWYFYSA-N 2 1 345.512 3.590 20 0 EHADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000922511325 1129557815 /nfs/dbraw/zinc/55/78/15/1129557815.db2.gz ZWGCSIDZWGYNFU-UHFFFAOYSA-N 2 1 338.499 3.963 20 0 EHADMP OC1CC[NH+](CCC[NH2+][C@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000178521443 1131389643 /nfs/dbraw/zinc/38/96/43/1131389643.db2.gz TXWBNXQVNTVGNV-JOCHJYFZSA-N 2 1 344.543 3.614 20 0 EHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000282424439 1129781469 /nfs/dbraw/zinc/78/14/69/1129781469.db2.gz YSDCLDJBYISPJN-NRFANRHFSA-N 2 1 342.527 3.898 20 0 EHADMP c1cc2cc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000282506884 1129968860 /nfs/dbraw/zinc/96/88/60/1129968860.db2.gz XEHPSRMGYJHKQR-UHFFFAOYSA-N 2 1 333.479 3.965 20 0 EHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000674876661 1130213904 /nfs/dbraw/zinc/21/39/04/1130213904.db2.gz DEAZAQVVUFMPKP-UHFFFAOYSA-N 2 1 347.890 3.755 20 0 EHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493423 1130414166 /nfs/dbraw/zinc/41/41/66/1130414166.db2.gz ICQJELFQWWPVPM-PCCBWWKXSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493423 1130414169 /nfs/dbraw/zinc/41/41/69/1130414169.db2.gz ICQJELFQWWPVPM-PCCBWWKXSA-N 2 1 330.516 3.961 20 0 EHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493423 1130414172 /nfs/dbraw/zinc/41/41/72/1130414172.db2.gz ICQJELFQWWPVPM-PCCBWWKXSA-N 2 1 330.516 3.961 20 0 EHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000675751957 1130465155 /nfs/dbraw/zinc/46/51/55/1130465155.db2.gz IQYRXUXTEZZRBY-JYJNAYRXSA-N 2 1 349.906 3.582 20 0 EHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@H](C)C1 ZINC000675743803 1130469220 /nfs/dbraw/zinc/46/92/20/1130469220.db2.gz VMGAQOJMPFYFSZ-APWZRJJASA-N 2 1 325.456 3.694 20 0 EHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@H](C)C1 ZINC000675743803 1130469221 /nfs/dbraw/zinc/46/92/21/1130469221.db2.gz VMGAQOJMPFYFSZ-APWZRJJASA-N 2 1 325.456 3.694 20 0 EHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000675747977 1130469695 /nfs/dbraw/zinc/46/96/95/1130469695.db2.gz QDEXNCKVWRERSA-RTBURBONSA-N 3 1 343.559 3.881 20 0 EHADMP C[C@@H]1C[C@@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781443 1130472057 /nfs/dbraw/zinc/47/20/57/1130472057.db2.gz ZQEMLBQAOMOWGE-XXBNENTESA-N 2 1 349.522 3.645 20 0 EHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3cccs3)CCCC2)CC1 ZINC000675832363 1130489118 /nfs/dbraw/zinc/48/91/18/1130489118.db2.gz BWAAKZNYQPYYCY-MRXNPFEDSA-N 2 1 336.545 3.692 20 0 EHADMP c1ccc([C@@H](CC2CC2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675881130 1130500566 /nfs/dbraw/zinc/50/05/66/1130500566.db2.gz JRTBBBFEGRUTDH-NHCUHLMSSA-N 2 1 328.500 3.761 20 0 EHADMP Cc1nccn1CCCC[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000348085897 1131151406 /nfs/dbraw/zinc/15/14/06/1131151406.db2.gz UJVBQIOBVYOKMB-UHFFFAOYSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000348085897 1131151409 /nfs/dbraw/zinc/15/14/09/1131151409.db2.gz UJVBQIOBVYOKMB-UHFFFAOYSA-N 2 1 340.515 3.568 20 0 EHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000348085897 1131151414 /nfs/dbraw/zinc/15/14/14/1131151414.db2.gz UJVBQIOBVYOKMB-UHFFFAOYSA-N 2 1 340.515 3.568 20 0 EHADMP CCOCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001172429436 1131724980 /nfs/dbraw/zinc/72/49/80/1131724980.db2.gz YGCJTCPEPZXJDW-IBGZPJMESA-N 2 1 330.516 3.790 20 0 EHADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172433718 1131727764 /nfs/dbraw/zinc/72/77/64/1131727764.db2.gz ALTLECBNYCCUCJ-WLRLJWMZSA-N 2 1 330.516 3.975 20 0 EHADMP CC1(C)CC([N@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC(C)(C)O1 ZINC001172662484 1131806577 /nfs/dbraw/zinc/80/65/77/1131806577.db2.gz ZSSIWTBRQONZSQ-IRXDYDNUSA-N 2 1 326.500 3.621 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172717168 1131818975 /nfs/dbraw/zinc/81/89/75/1131818975.db2.gz QWIURCCOHZRXKQ-QRWLVFNGSA-N 2 1 328.887 3.904 20 0 EHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718551 1131821160 /nfs/dbraw/zinc/82/11/60/1131821160.db2.gz VYHDBFIGLDDQMO-LJQANCHMSA-N 2 1 344.861 3.896 20 0 EHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001172864826 1131860994 /nfs/dbraw/zinc/86/09/94/1131860994.db2.gz XDZMGSLTUJEQIA-AWEZNQCLSA-N 2 1 333.838 3.627 20 0 EHADMP Cc1cc(N2CC[NH+]([C@H](C)Cc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC001172861313 1131879016 /nfs/dbraw/zinc/87/90/16/1131879016.db2.gz KFYNMACYQUVAOE-OAHLLOKOSA-N 2 1 347.865 3.936 20 0 EHADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001172945461 1131914995 /nfs/dbraw/zinc/91/49/95/1131914995.db2.gz PZVBKKDYJPQIDQ-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945461 1131915001 /nfs/dbraw/zinc/91/50/01/1131915001.db2.gz PZVBKKDYJPQIDQ-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001172945461 1131915007 /nfs/dbraw/zinc/91/50/07/1131915007.db2.gz PZVBKKDYJPQIDQ-PWRODBHTSA-N 2 1 328.500 3.542 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001173112411 1131970867 /nfs/dbraw/zinc/97/08/67/1131970867.db2.gz ALJZGGDQIPVGGR-NSKBAKJYSA-N 2 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001173112411 1131970875 /nfs/dbraw/zinc/97/08/75/1131970875.db2.gz ALJZGGDQIPVGGR-NSKBAKJYSA-N 3 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001173112411 1131970880 /nfs/dbraw/zinc/97/08/80/1131970880.db2.gz ALJZGGDQIPVGGR-NSKBAKJYSA-N 3 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001173112411 1131970885 /nfs/dbraw/zinc/97/08/85/1131970885.db2.gz ALJZGGDQIPVGGR-NSKBAKJYSA-N 2 1 335.580 3.978 20 0 EHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001173112411 1131970889 /nfs/dbraw/zinc/97/08/89/1131970889.db2.gz ALJZGGDQIPVGGR-NSKBAKJYSA-N 2 1 335.580 3.978 20 0 EHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173133743 1131977519 /nfs/dbraw/zinc/97/75/19/1131977519.db2.gz XLOOAVKXTHDTKP-CYBMUJFWSA-N 2 1 347.915 3.604 20 0 EHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001173173037 1131990907 /nfs/dbraw/zinc/99/09/07/1131990907.db2.gz LYZKXRYBOYUHKO-GCLMUHHRSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001173173037 1131990913 /nfs/dbraw/zinc/99/09/13/1131990913.db2.gz LYZKXRYBOYUHKO-GCLMUHHRSA-N 2 1 348.556 3.848 20 0 EHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CCO1 ZINC001173173037 1131990920 /nfs/dbraw/zinc/99/09/20/1131990920.db2.gz LYZKXRYBOYUHKO-GCLMUHHRSA-N 2 1 348.556 3.848 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001212713770 1132003623 /nfs/dbraw/zinc/00/36/23/1132003623.db2.gz IOGHVZOMOQLHHR-UHFFFAOYSA-N 2 1 347.466 3.676 20 0 EHADMP CCc1ccc(C[C@H](C)[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)cc1 ZINC001173243988 1132014964 /nfs/dbraw/zinc/01/49/64/1132014964.db2.gz RAIBBWXSSYBTAV-AVRDEDQJSA-N 2 1 344.543 3.755 20 0 EHADMP CCSC[C@@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001173299982 1132032010 /nfs/dbraw/zinc/03/20/10/1132032010.db2.gz VAYCVVXBXILISD-JHBMCFDKSA-N 2 1 338.520 3.705 20 0 EHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001173278708 1132039443 /nfs/dbraw/zinc/03/94/43/1132039443.db2.gz ICPPMHUVNNDACQ-QUCCMNQESA-N 2 1 327.516 3.948 20 0 EHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1 ZINC001173283134 1132042935 /nfs/dbraw/zinc/04/29/35/1132042935.db2.gz SPZPEZATKRDPGL-ROUUACIJSA-N 2 1 348.556 3.994 20 0 EHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632630 1132110086 /nfs/dbraw/zinc/11/00/86/1132110086.db2.gz IBAVTHVLHXJEJX-TVFCKZIOSA-N 2 1 338.536 3.726 20 0 EHADMP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386332204 1132504488 /nfs/dbraw/zinc/50/44/88/1132504488.db2.gz MNMLMRRQLKLNSW-IOMROCGXSA-N 2 1 335.495 3.959 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766531963 1132598404 /nfs/dbraw/zinc/59/84/04/1132598404.db2.gz ROLQIVLEVMTWMJ-KKSFZXQISA-N 2 1 341.499 3.724 20 0 EHADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766531963 1132598409 /nfs/dbraw/zinc/59/84/09/1132598409.db2.gz ROLQIVLEVMTWMJ-KKSFZXQISA-N 2 1 341.499 3.724 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169118029 1132661962 /nfs/dbraw/zinc/66/19/62/1132661962.db2.gz CCICAXVGOGYKLJ-BCDXTJNWSA-N 2 1 334.891 3.561 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[C@H](c4ccccc4)CO3)CC1)C2 ZINC001169133952 1132666634 /nfs/dbraw/zinc/66/66/34/1132666634.db2.gz OIBHMJBPLFLPIK-BURNTYAHSA-N 2 1 340.511 3.650 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C[NH3+])c3cc(Br)ccc31)C2 ZINC001169108573 1132669464 /nfs/dbraw/zinc/66/94/64/1132669464.db2.gz BMYHLWBFNKZUIS-QDMKHBRRSA-N 2 1 348.288 3.660 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(Cl)c3)CC1)C2 ZINC001169139670 1132670238 /nfs/dbraw/zinc/67/02/38/1132670238.db2.gz DAMWDEYPHTUNEC-FVQHAEBGSA-N 2 1 334.891 3.808 20 0 EHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccc(Cl)cc3c3c1CC[NH2+]C3)C2 ZINC001169142431 1132674055 /nfs/dbraw/zinc/67/40/55/1132674055.db2.gz UNDBNQUXPMNZSF-QDMKHBRRSA-N 2 1 329.875 3.738 20 0 EHADMP Cc1cc([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1N1CCOCC1 ZINC001169151322 1132678482 /nfs/dbraw/zinc/67/84/82/1132678482.db2.gz ILYBZTQSXXLTHZ-WIYYLYMNSA-N 2 1 345.531 3.787 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169160673 1132682855 /nfs/dbraw/zinc/68/28/55/1132682855.db2.gz KFWWOJYOXMZEAS-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160673 1132682857 /nfs/dbraw/zinc/68/28/57/1132682857.db2.gz KFWWOJYOXMZEAS-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160673 1132682860 /nfs/dbraw/zinc/68/28/60/1132682860.db2.gz KFWWOJYOXMZEAS-NMLBUPMWSA-N 2 1 342.483 3.625 20 0 EHADMP CC[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)CC1 ZINC001169241500 1132707929 /nfs/dbraw/zinc/70/79/29/1132707929.db2.gz MHLQYFZZJHQCBN-UHFFFAOYSA-N 2 1 336.907 3.506 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206005555 1132708715 /nfs/dbraw/zinc/70/87/15/1132708715.db2.gz YQGRJOAQSCYZSY-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206005555 1132708720 /nfs/dbraw/zinc/70/87/20/1132708720.db2.gz YQGRJOAQSCYZSY-MNOVXSKESA-N 2 1 347.247 3.534 20 0 EHADMP CC[NH+]1CCC([N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001169254480 1132709685 /nfs/dbraw/zinc/70/96/85/1132709685.db2.gz YGUIZGMDNWUZRK-CTNGQTDRSA-N 2 1 328.500 3.509 20 0 EHADMP CC[NH+]1CCC([N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001169254480 1132709692 /nfs/dbraw/zinc/70/96/92/1132709692.db2.gz YGUIZGMDNWUZRK-CTNGQTDRSA-N 2 1 328.500 3.509 20 0 EHADMP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c2ccc(Br)cc12 ZINC001169717604 1132833747 /nfs/dbraw/zinc/83/37/47/1132833747.db2.gz FJWKGMBEFVWBGM-UHFFFAOYSA-N 2 1 336.277 3.561 20 0 EHADMP CCC[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891244 1133007215 /nfs/dbraw/zinc/00/72/15/1133007215.db2.gz CIABDTMUOXFJMM-FCHUYYIVSA-N 2 1 340.511 3.784 20 0 EHADMP CCC[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891244 1133007218 /nfs/dbraw/zinc/00/72/18/1133007218.db2.gz CIABDTMUOXFJMM-FCHUYYIVSA-N 2 1 340.511 3.784 20 0 EHADMP C[NH+](C)CCCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206295549 1133041292 /nfs/dbraw/zinc/04/12/92/1133041292.db2.gz GTNULLDCYIUVRJ-AWEZNQCLSA-N 2 1 331.287 3.536 20 0 EHADMP C[NH+](C)CCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206295549 1133041296 /nfs/dbraw/zinc/04/12/96/1133041296.db2.gz GTNULLDCYIUVRJ-AWEZNQCLSA-N 2 1 331.287 3.536 20 0 EHADMP C[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C[NH+]1CCCC1 ZINC001177328448 1133055452 /nfs/dbraw/zinc/05/54/52/1133055452.db2.gz NRKAESLLRSXMLC-ZDUSSCGKSA-N 2 1 348.384 3.588 20 0 EHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC001177742397 1133098437 /nfs/dbraw/zinc/09/84/37/1133098437.db2.gz HZDGUMBYAIRDSZ-GFCCVEGCSA-N 2 1 330.303 3.786 20 0 EHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C1 ZINC001177742397 1133098444 /nfs/dbraw/zinc/09/84/44/1133098444.db2.gz HZDGUMBYAIRDSZ-GFCCVEGCSA-N 2 1 330.303 3.786 20 0 EHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC001178249308 1133145031 /nfs/dbraw/zinc/14/50/31/1133145031.db2.gz MFVZUELOTNGPGK-QGZVFWFLSA-N 2 1 340.458 3.788 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000769404902 1133278295 /nfs/dbraw/zinc/27/82/95/1133278295.db2.gz SIRAWVRWYXKOML-SFHVURJKSA-N 2 1 342.458 3.788 20 0 EHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000769404902 1133278301 /nfs/dbraw/zinc/27/83/01/1133278301.db2.gz SIRAWVRWYXKOML-SFHVURJKSA-N 2 1 342.458 3.788 20 0 EHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506786 1133304322 /nfs/dbraw/zinc/30/43/22/1133304322.db2.gz GTNJNRPZTQMJTQ-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506786 1133304325 /nfs/dbraw/zinc/30/43/25/1133304325.db2.gz GTNJNRPZTQMJTQ-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506786 1133304329 /nfs/dbraw/zinc/30/43/29/1133304329.db2.gz GTNJNRPZTQMJTQ-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000769506786 1133304333 /nfs/dbraw/zinc/30/43/33/1133304333.db2.gz GTNJNRPZTQMJTQ-LJQANCHMSA-N 2 1 329.532 3.841 20 0 EHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC001180083123 1133326756 /nfs/dbraw/zinc/32/67/56/1133326756.db2.gz XROQYFCBCGNIKZ-QFBILLFUSA-N 2 1 338.923 3.876 20 0 EHADMP COC[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001180271084 1133352967 /nfs/dbraw/zinc/35/29/67/1133352967.db2.gz BKXHOENNRQSCDZ-IRLDBZIGSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001180271084 1133352972 /nfs/dbraw/zinc/35/29/72/1133352972.db2.gz BKXHOENNRQSCDZ-IRLDBZIGSA-N 2 1 344.543 3.893 20 0 EHADMP COC[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001180271084 1133352978 /nfs/dbraw/zinc/35/29/78/1133352978.db2.gz BKXHOENNRQSCDZ-IRLDBZIGSA-N 2 1 344.543 3.893 20 0 EHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCCC[C@H]1C ZINC001180810378 1133418866 /nfs/dbraw/zinc/41/88/66/1133418866.db2.gz LOQKBHROPLJTLU-SEONNTABSA-N 2 1 330.516 3.558 20 0 EHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC001181435688 1133492090 /nfs/dbraw/zinc/49/20/90/1133492090.db2.gz HDSUVLCDFBWORC-MISYRCLQSA-N 2 1 335.580 3.740 20 0 EHADMP CC(C)(C)[C@@]1(C[NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+](Cc2ccccc2)C1 ZINC001181775035 1133525385 /nfs/dbraw/zinc/52/53/85/1133525385.db2.gz AWTIVGKBNJUDIH-KCZVDYSFSA-N 2 1 344.543 3.675 20 0 EHADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C)ccc1OC ZINC000772452864 1133682780 /nfs/dbraw/zinc/68/27/80/1133682780.db2.gz ASGOKZMNJDKTKX-ICSRJNTNSA-N 2 1 346.515 3.688 20 0 EHADMP Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206553990 1133760796 /nfs/dbraw/zinc/76/07/96/1133760796.db2.gz AASQJZDTMIEXBY-MRXNPFEDSA-N 2 1 325.294 3.708 20 0 EHADMP Cc1ccc(Br)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206553990 1133760800 /nfs/dbraw/zinc/76/08/00/1133760800.db2.gz AASQJZDTMIEXBY-MRXNPFEDSA-N 2 1 325.294 3.708 20 0 EHADMP Cc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001206554902 1133765291 /nfs/dbraw/zinc/76/52/91/1133765291.db2.gz IENUIXPWFKJUMY-INIZCTEOSA-N 2 1 325.294 3.708 20 0 EHADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001206554902 1133765296 /nfs/dbraw/zinc/76/52/96/1133765296.db2.gz IENUIXPWFKJUMY-INIZCTEOSA-N 2 1 325.294 3.708 20 0 EHADMP CC[C@H](C)[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698309 1133843369 /nfs/dbraw/zinc/84/33/69/1133843369.db2.gz XWQKACFHFPSSOM-NRDMVMEKSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@H](C)[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698309 1133843373 /nfs/dbraw/zinc/84/33/73/1133843373.db2.gz XWQKACFHFPSSOM-NRDMVMEKSA-N 2 1 330.516 3.501 20 0 EHADMP CC[C@H](C)[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001183698309 1133843378 /nfs/dbraw/zinc/84/33/78/1133843378.db2.gz XWQKACFHFPSSOM-NRDMVMEKSA-N 2 1 330.516 3.501 20 0 EHADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C[NH+](C)C ZINC001183754665 1133855069 /nfs/dbraw/zinc/85/50/69/1133855069.db2.gz HMDAQYHYPUTYND-NZSAHSFTSA-N 2 1 338.923 3.923 20 0 EHADMP CC[N@@H+](Cc1ccc(F)nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787194634 1133973379 /nfs/dbraw/zinc/97/33/79/1133973379.db2.gz CACWDLPECGYZSU-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP CC[N@H+](Cc1ccc(F)nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787194634 1133973384 /nfs/dbraw/zinc/97/33/84/1133973384.db2.gz CACWDLPECGYZSU-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccc(F)nc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000787194634 1133973388 /nfs/dbraw/zinc/97/33/88/1133973388.db2.gz CACWDLPECGYZSU-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP CC[NH+](Cc1ccc(F)nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000787194634 1133973391 /nfs/dbraw/zinc/97/33/91/1133973391.db2.gz CACWDLPECGYZSU-IBGZPJMESA-N 2 1 341.474 3.873 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205319047 1134011661 /nfs/dbraw/zinc/01/16/61/1134011661.db2.gz XZOJBHMVDBQZMJ-DZGCQCFKSA-N 2 1 339.321 3.989 20 0 EHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205319047 1134011666 /nfs/dbraw/zinc/01/16/66/1134011666.db2.gz XZOJBHMVDBQZMJ-DZGCQCFKSA-N 2 1 339.321 3.989 20 0 EHADMP FC(F)(F)c1c[nH+]ccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001186285040 1134192652 /nfs/dbraw/zinc/19/26/52/1134192652.db2.gz MXGGKYRXXNBNFL-AWEZNQCLSA-N 2 1 327.394 3.731 20 0 EHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134820 1134410118 /nfs/dbraw/zinc/41/01/18/1134410118.db2.gz DUSQKDHKQYTTAA-KDXIVRHGSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134820 1134410120 /nfs/dbraw/zinc/41/01/20/1134410120.db2.gz DUSQKDHKQYTTAA-KDXIVRHGSA-N 2 1 346.559 3.636 20 0 EHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)C1 ZINC001170134820 1134410122 /nfs/dbraw/zinc/41/01/22/1134410122.db2.gz DUSQKDHKQYTTAA-KDXIVRHGSA-N 2 1 346.559 3.636 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000157113439 1134642406 /nfs/dbraw/zinc/64/24/06/1134642406.db2.gz SDHARMRCKPBRDO-UHFFFAOYSA-N 2 1 329.341 3.919 20 0 EHADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC001205545407 1134767333 /nfs/dbraw/zinc/76/73/33/1134767333.db2.gz GTHZVRGSUZXKLW-INIZCTEOSA-N 2 1 343.284 3.535 20 0 EHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521980 1134879480 /nfs/dbraw/zinc/87/94/80/1134879480.db2.gz YIAZEIPBXRNXIL-FGZHOGPDSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521980 1134879486 /nfs/dbraw/zinc/87/94/86/1134879486.db2.gz YIAZEIPBXRNXIL-FGZHOGPDSA-N 3 1 341.543 3.589 20 0 EHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521980 1134879489 /nfs/dbraw/zinc/87/94/89/1134879489.db2.gz YIAZEIPBXRNXIL-FGZHOGPDSA-N 3 1 341.543 3.589 20 0 EHADMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521980 1134879496 /nfs/dbraw/zinc/87/94/96/1134879496.db2.gz YIAZEIPBXRNXIL-FGZHOGPDSA-N 2 1 341.543 3.589 20 0 EHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC001191521980 1134879503 /nfs/dbraw/zinc/87/95/03/1134879503.db2.gz YIAZEIPBXRNXIL-FGZHOGPDSA-N 2 1 341.543 3.589 20 0 EHADMP C[C@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775495814 1134952074 /nfs/dbraw/zinc/95/20/74/1134952074.db2.gz CFKGKPQKPYYGQF-SIKLNZKXSA-N 2 1 349.522 3.549 20 0 EHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC001192918892 1135073168 /nfs/dbraw/zinc/07/31/68/1135073168.db2.gz PRVJLYDVKQEFAN-DLBZAZTESA-N 2 1 344.421 3.680 20 0 EHADMP Cc1ccccc1C(NC[C@H](O)C[N@H+](C)C(C)C)c1ccccc1C ZINC001193141441 1135108683 /nfs/dbraw/zinc/10/86/83/1135108683.db2.gz IGVXCHQAXFBTNZ-IBGZPJMESA-N 2 1 340.511 3.684 20 0 EHADMP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000808170104 1135629204 /nfs/dbraw/zinc/62/92/04/1135629204.db2.gz BPEVZYNZJNJFBI-GHTZIAJQSA-N 2 1 349.563 3.569 20 0 EHADMP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000808170104 1135629206 /nfs/dbraw/zinc/62/92/06/1135629206.db2.gz BPEVZYNZJNJFBI-GHTZIAJQSA-N 2 1 349.563 3.569 20 0 EHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC[C@@H](O)c2ccccc2)CC1 ZINC001196936135 1135631641 /nfs/dbraw/zinc/63/16/41/1135631641.db2.gz QDOSKBKAVHKERQ-LEWJYISDSA-N 2 1 330.516 3.697 20 0 EHADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC001197285782 1135673539 /nfs/dbraw/zinc/67/35/39/1135673539.db2.gz RVXJVYMWTAEYAH-UHFFFAOYSA-N 2 1 346.515 3.950 20 0 EHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H](O)c2ccccc2)C1 ZINC000808727047 1135723487 /nfs/dbraw/zinc/72/34/87/1135723487.db2.gz CFLDRNVLVZQLIF-DYXWJJEUSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727047 1135723489 /nfs/dbraw/zinc/72/34/89/1135723489.db2.gz CFLDRNVLVZQLIF-DYXWJJEUSA-N 2 1 330.516 3.697 20 0 EHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808727047 1135723493 /nfs/dbraw/zinc/72/34/93/1135723493.db2.gz CFLDRNVLVZQLIF-DYXWJJEUSA-N 2 1 330.516 3.697 20 0 EHADMP CCc1[nH]c(CN2CCC([N@H+](CC)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001203243822 1135854285 /nfs/dbraw/zinc/85/42/85/1135854285.db2.gz ONZUWLRJHWIMBC-UHFFFAOYSA-N 2 1 340.515 3.767 20 0 EHADMP CCc1[nH]c(CN2CCC([N@@H+](CC)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001203243822 1135854289 /nfs/dbraw/zinc/85/42/89/1135854289.db2.gz ONZUWLRJHWIMBC-UHFFFAOYSA-N 2 1 340.515 3.767 20 0 EHADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)c2cccs2)CC1 ZINC001198968879 1135870052 /nfs/dbraw/zinc/87/00/52/1135870052.db2.gz KHAMTGXSLWVCMD-ROUUACIJSA-N 2 1 349.588 3.843 20 0 EHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001199421038 1135903037 /nfs/dbraw/zinc/90/30/37/1135903037.db2.gz SPPXIXHPEAYKMT-PXNSSMCTSA-N 2 1 329.532 3.674 20 0 EHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201558251 1136039708 /nfs/dbraw/zinc/03/97/08/1136039708.db2.gz AHXQKGMMGJAIAV-JBACZVJFSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201558251 1136039712 /nfs/dbraw/zinc/03/97/12/1136039712.db2.gz AHXQKGMMGJAIAV-JBACZVJFSA-N 2 1 336.564 3.883 20 0 EHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201558251 1136039716 /nfs/dbraw/zinc/03/97/16/1136039716.db2.gz AHXQKGMMGJAIAV-JBACZVJFSA-N 2 1 336.564 3.883 20 0 EHADMP CCCCC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201731732 1136061845 /nfs/dbraw/zinc/06/18/45/1136061845.db2.gz USUPQZCVMXVKLX-GOSISDBHSA-N 2 1 337.458 3.805 20 0 EHADMP CCCCC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001201731732 1136061849 /nfs/dbraw/zinc/06/18/49/1136061849.db2.gz USUPQZCVMXVKLX-GOSISDBHSA-N 2 1 337.458 3.805 20 0 EHADMP CCCCC[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201731732 1136061850 /nfs/dbraw/zinc/06/18/50/1136061850.db2.gz USUPQZCVMXVKLX-GOSISDBHSA-N 2 1 337.458 3.805 20 0 EHADMP CCCCC[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201731732 1136061854 /nfs/dbraw/zinc/06/18/54/1136061854.db2.gz USUPQZCVMXVKLX-GOSISDBHSA-N 2 1 337.458 3.805 20 0 EHADMP CC(C)=CCC[C@H](C)CCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201983167 1136076590 /nfs/dbraw/zinc/07/65/90/1136076590.db2.gz YFCYFLFHYRUYQB-FQEVSTJZSA-N 2 1 335.580 3.718 20 0 EHADMP FC(F)(F)CCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202441385 1136144325 /nfs/dbraw/zinc/14/43/25/1136144325.db2.gz CMRCZAAKLUQAAA-IRXDYDNUSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202441385 1136144327 /nfs/dbraw/zinc/14/43/27/1136144327.db2.gz CMRCZAAKLUQAAA-IRXDYDNUSA-N 2 1 326.406 3.783 20 0 EHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202441385 1136144329 /nfs/dbraw/zinc/14/43/29/1136144329.db2.gz CMRCZAAKLUQAAA-IRXDYDNUSA-N 2 1 326.406 3.783 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001170678200 1136215356 /nfs/dbraw/zinc/21/53/56/1136215356.db2.gz WSYRHAUYEMAKJN-DLBZAZTESA-N 2 1 334.454 3.819 20 0 EHADMP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001170678200 1136215358 /nfs/dbraw/zinc/21/53/58/1136215358.db2.gz WSYRHAUYEMAKJN-DLBZAZTESA-N 2 1 334.454 3.819 20 0 EHADMP COc1ccc([C@H](C)NC[C@@H](C)C[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000813876960 1136371533 /nfs/dbraw/zinc/37/15/33/1136371533.db2.gz FPAPTFRLVABPJJ-MSOLQXFVSA-N 2 1 347.547 3.529 20 0 EHADMP C[C@@H](CC[NH+](C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173685 1136410920 /nfs/dbraw/zinc/41/09/20/1136410920.db2.gz VTZVQELCAAVICU-XSLAUPDRSA-N 2 1 329.532 3.502 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852728355 1136480321 /nfs/dbraw/zinc/48/03/21/1136480321.db2.gz ASNDOYRGOWSWEB-ZWKOTPCHSA-N 2 1 335.879 3.583 20 0 EHADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761435 1136484518 /nfs/dbraw/zinc/48/45/18/1136484518.db2.gz VWBPDSKLQOQLCQ-WMLDXEAASA-N 2 1 344.421 3.809 20 0 EHADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761435 1136484520 /nfs/dbraw/zinc/48/45/20/1136484520.db2.gz VWBPDSKLQOQLCQ-WMLDXEAASA-N 2 1 344.421 3.809 20 0 EHADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170795592 1136623225 /nfs/dbraw/zinc/62/32/25/1136623225.db2.gz GDDAXAHCLSGWFJ-AWEZNQCLSA-N 2 1 342.405 3.524 20 0 EHADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCCCC1 ZINC001135793910 1136771174 /nfs/dbraw/zinc/77/11/74/1136771174.db2.gz RRBVBUKBHHOBQG-LJQANCHMSA-N 2 1 349.563 3.554 20 0 EHADMP CC(C)CCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559458 1136794604 /nfs/dbraw/zinc/79/46/04/1136794604.db2.gz OOEDWCSPPUPLRI-FQEVSTJZSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)CCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559458 1136794608 /nfs/dbraw/zinc/79/46/08/1136794608.db2.gz OOEDWCSPPUPLRI-FQEVSTJZSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)CCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559458 1136794611 /nfs/dbraw/zinc/79/46/11/1136794611.db2.gz OOEDWCSPPUPLRI-FQEVSTJZSA-N 2 1 333.520 3.811 20 0 EHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccs3)C2)ccn1 ZINC000856560290 1136795456 /nfs/dbraw/zinc/79/54/56/1136795456.db2.gz HAONNLSIFYILSA-GOSISDBHSA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccs3)C2)ccn1 ZINC000856560290 1136795457 /nfs/dbraw/zinc/79/54/57/1136795457.db2.gz HAONNLSIFYILSA-GOSISDBHSA-N 2 1 345.512 3.637 20 0 EHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000856560290 1136795461 /nfs/dbraw/zinc/79/54/61/1136795461.db2.gz HAONNLSIFYILSA-GOSISDBHSA-N 2 1 345.512 3.637 20 0 EHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2)C1 ZINC000856765975 1136808759 /nfs/dbraw/zinc/80/87/59/1136808759.db2.gz OYIDIIXMDDVNCL-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2)C1 ZINC000856765975 1136808762 /nfs/dbraw/zinc/80/87/62/1136808762.db2.gz OYIDIIXMDDVNCL-HNNXBMFYSA-N 2 1 346.906 3.595 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856776128 1136809750 /nfs/dbraw/zinc/80/97/50/1136809750.db2.gz ASNLWOLBPVKYOE-VIFPVBQESA-N 2 1 332.757 3.610 20 0 EHADMP Fc1c(Cl)cccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817900416 1136844791 /nfs/dbraw/zinc/84/47/91/1136844791.db2.gz OUHMCEAXQILJKQ-LPHOPBHVSA-N 2 1 346.833 3.825 20 0 EHADMP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000817922863 1136846136 /nfs/dbraw/zinc/84/61/36/1136846136.db2.gz NKNDXZKCKFRHMX-FCGDIQPGSA-N 2 1 330.520 3.742 20 0 EHADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000817947127 1136850403 /nfs/dbraw/zinc/85/04/03/1136850403.db2.gz KXNLUZZUONXAMC-LNLFQRSKSA-N 2 1 347.547 3.576 20 0 EHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000818959492 1136895936 /nfs/dbraw/zinc/89/59/36/1136895936.db2.gz MMKXIQHNAYZSCK-KDOFPFPSSA-N 2 1 342.886 3.614 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818988482 1136897492 /nfs/dbraw/zinc/89/74/92/1136897492.db2.gz QXMUPRCJQWOPQI-YLJYHZDGSA-N 2 1 344.524 3.592 20 0 EHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818988482 1136897496 /nfs/dbraw/zinc/89/74/96/1136897496.db2.gz QXMUPRCJQWOPQI-YLJYHZDGSA-N 2 1 344.524 3.592 20 0 EHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000819100039 1136908332 /nfs/dbraw/zinc/90/83/32/1136908332.db2.gz CPKBQZYTUCSCNL-SUMDDJOVSA-N 2 1 348.487 3.593 20 0 EHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000819100039 1136908335 /nfs/dbraw/zinc/90/83/35/1136908335.db2.gz CPKBQZYTUCSCNL-SUMDDJOVSA-N 2 1 348.487 3.593 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2)C1 ZINC000857846539 1136912232 /nfs/dbraw/zinc/91/22/32/1136912232.db2.gz COLQKLUADJIQKX-OXQOHEQNSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846539 1136912239 /nfs/dbraw/zinc/91/22/39/1136912239.db2.gz COLQKLUADJIQKX-OXQOHEQNSA-N 2 1 338.499 3.809 20 0 EHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)C1 ZINC000857846539 1136912242 /nfs/dbraw/zinc/91/22/42/1136912242.db2.gz COLQKLUADJIQKX-OXQOHEQNSA-N 2 1 338.499 3.809 20 0 EHADMP CC(C)CC[C@H](O)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000819444624 1136940286 /nfs/dbraw/zinc/94/02/86/1136940286.db2.gz IZKVAMIAWIPRFA-NRFANRHFSA-N 2 1 347.547 3.674 20 0 EHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000858115805 1136941408 /nfs/dbraw/zinc/94/14/08/1136941408.db2.gz MFSCHZLTJWDFRS-CQSZACIVSA-N 2 1 338.517 3.523 20 0 EHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000858115805 1136941411 /nfs/dbraw/zinc/94/14/11/1136941411.db2.gz MFSCHZLTJWDFRS-CQSZACIVSA-N 2 1 338.517 3.523 20 0 EHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1(C)C ZINC000858165319 1136945813 /nfs/dbraw/zinc/94/58/13/1136945813.db2.gz RPBPTEJQQNEHGM-PCCBWWKXSA-N 2 1 338.495 3.924 20 0 EHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1(C)C ZINC000858165319 1136945814 /nfs/dbraw/zinc/94/58/14/1136945814.db2.gz RPBPTEJQQNEHGM-PCCBWWKXSA-N 2 1 338.495 3.924 20 0 EHADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858166792 1136946209 /nfs/dbraw/zinc/94/62/09/1136946209.db2.gz ALNFWFODNXQRTJ-JKSUJKDBSA-N 2 1 341.540 3.532 20 0 EHADMP c1ccc(CCCCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000858460508 1136969952 /nfs/dbraw/zinc/96/99/52/1136969952.db2.gz AWRKLIPTHDERBP-NRFANRHFSA-N 2 1 330.516 3.632 20 0 EHADMP CC(C)(CO)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820820987 1137005902 /nfs/dbraw/zinc/00/59/02/1137005902.db2.gz CCIGBVINDAOGGS-VCYXJBJXSA-N 2 1 342.527 3.536 20 0 EHADMP Cc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212216 1137008002 /nfs/dbraw/zinc/00/80/02/1137008002.db2.gz KMXCNFCZKWCADB-UHFFFAOYSA-N 2 1 339.483 3.517 20 0 EHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170968289 1137032982 /nfs/dbraw/zinc/03/29/82/1137032982.db2.gz CODNODDXGHJSJY-APWZRJJASA-N 2 1 326.459 3.780 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000862275292 1137136695 /nfs/dbraw/zinc/13/66/95/1137136695.db2.gz PUFYKJMVFXACRF-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1c(F)nccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000862275292 1137136696 /nfs/dbraw/zinc/13/66/96/1137136696.db2.gz PUFYKJMVFXACRF-OAHLLOKOSA-N 2 1 333.476 3.592 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862283564 1137137026 /nfs/dbraw/zinc/13/70/26/1137137026.db2.gz KOZKGPGUKQXONE-HNAYVOBHSA-N 2 1 327.447 3.672 20 0 EHADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862283564 1137137027 /nfs/dbraw/zinc/13/70/27/1137137027.db2.gz KOZKGPGUKQXONE-HNAYVOBHSA-N 2 1 327.447 3.672 20 0 EHADMP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000824428571 1137137457 /nfs/dbraw/zinc/13/74/57/1137137457.db2.gz TXQLAKNXOLBCOC-QFMLELGNSA-N 2 1 330.541 3.913 20 0 EHADMP C[NH+]1CCC2(C[NH+](Cc3ccc(Cl)c(OC(F)(F)F)c3)C2)CC1 ZINC001143362010 1137182366 /nfs/dbraw/zinc/18/23/66/1137182366.db2.gz HRJFVQYSZXAJJO-UHFFFAOYSA-N 2 1 348.796 3.766 20 0 EHADMP Cc1c(O)cccc1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001144118051 1137240294 /nfs/dbraw/zinc/24/02/94/1137240294.db2.gz NHTHNNLTQGWGCQ-UHFFFAOYSA-N 2 1 336.479 3.723 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000865435257 1137283319 /nfs/dbraw/zinc/28/33/19/1137283319.db2.gz FKNBUPUUQPVTJI-MRXNPFEDSA-N 2 1 347.865 3.876 20 0 EHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000865435257 1137283321 /nfs/dbraw/zinc/28/33/21/1137283321.db2.gz FKNBUPUUQPVTJI-MRXNPFEDSA-N 2 1 347.865 3.876 20 0 EHADMP COc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000866290123 1137343108 /nfs/dbraw/zinc/34/31/08/1137343108.db2.gz ORQFXXSYNKAYOI-QGZVFWFLSA-N 2 1 332.488 3.761 20 0 EHADMP Clc1cncc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000866668293 1137373201 /nfs/dbraw/zinc/37/32/01/1137373201.db2.gz BIECXMIZQIFBCL-ZDUSSCGKSA-N 2 1 328.287 3.600 20 0 EHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000846899444 1137374589 /nfs/dbraw/zinc/37/45/89/1137374589.db2.gz QEGIVAXFDKKPOT-QFIPXVFZSA-N 2 1 349.478 3.589 20 0 EHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000846899444 1137374591 /nfs/dbraw/zinc/37/45/91/1137374591.db2.gz QEGIVAXFDKKPOT-QFIPXVFZSA-N 2 1 349.478 3.589 20 0 EHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282750775 1137448325 /nfs/dbraw/zinc/44/83/25/1137448325.db2.gz GXKWISXMRAECOU-UHFFFAOYSA-N 2 1 340.515 3.700 20 0 EHADMP CC(C)(C[NH3+])[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644744 1137505030 /nfs/dbraw/zinc/50/50/30/1137505030.db2.gz LUHCPAZLUVUYDO-UHFFFAOYSA-N 2 1 325.294 3.802 20 0 EHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072819 1137463198 /nfs/dbraw/zinc/46/31/98/1137463198.db2.gz CHZOPDMGUZUSMT-MOPGFXCFSA-N 2 1 340.515 3.891 20 0 EHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)C1 ZINC000773072819 1137463199 /nfs/dbraw/zinc/46/31/99/1137463199.db2.gz CHZOPDMGUZUSMT-MOPGFXCFSA-N 2 1 340.515 3.891 20 0 EHADMP Fc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001171439146 1137485474 /nfs/dbraw/zinc/48/54/74/1137485474.db2.gz XLTFSMQDVBNFSV-GOSISDBHSA-N 2 1 334.454 3.581 20 0 EHADMP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716668329 1137488174 /nfs/dbraw/zinc/48/81/74/1137488174.db2.gz IVXPKDJNOLOLIW-YGBSJELFSA-N 2 1 339.483 3.995 20 0 EHADMP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716668329 1137488175 /nfs/dbraw/zinc/48/81/75/1137488175.db2.gz IVXPKDJNOLOLIW-YGBSJELFSA-N 2 1 339.483 3.995 20 0 EHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccn1 ZINC000716710587 1137488570 /nfs/dbraw/zinc/48/85/70/1137488570.db2.gz FJUBYKLKYBLNRB-WJMWBRGCSA-N 2 1 335.495 3.828 20 0 EHADMP Cc1cccnc1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716719010 1137488615 /nfs/dbraw/zinc/48/86/15/1137488615.db2.gz PVHJNZMWZRKPOU-BDTNDASRSA-N 2 1 349.522 3.965 20 0 EHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171471038 1137492848 /nfs/dbraw/zinc/49/28/48/1137492848.db2.gz GWNGGXPINQANKX-SZMVWBNQSA-N 2 1 334.454 3.947 20 0 EHADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171531021 1137493768 /nfs/dbraw/zinc/49/37/68/1137493768.db2.gz WTPDJLYJFUHYAM-HIFRSBDPSA-N 2 1 340.433 3.802 20 0 EHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1(C)C ZINC001171636874 1137504126 /nfs/dbraw/zinc/50/41/26/1137504126.db2.gz JARPGNDHRLDXRG-IBGZPJMESA-N 2 1 329.532 3.627 20 0 EHADMP CN1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1c1ccccc1 ZINC001171636874 1137504128 /nfs/dbraw/zinc/50/41/28/1137504128.db2.gz JARPGNDHRLDXRG-IBGZPJMESA-N 2 1 329.532 3.627 20 0 EHADMP CN1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1c1ccccc1 ZINC001171636874 1137504130 /nfs/dbraw/zinc/50/41/30/1137504130.db2.gz JARPGNDHRLDXRG-IBGZPJMESA-N 2 1 329.532 3.627 20 0 EHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1(C)C ZINC001171638486 1137504686 /nfs/dbraw/zinc/50/46/86/1137504686.db2.gz ZEPAVHBUULVLME-LJQANCHMSA-N 2 1 330.516 3.929 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171776309 1137509963 /nfs/dbraw/zinc/50/99/63/1137509963.db2.gz TYFXOLLRNAEUNI-AHRSYUTCSA-N 2 1 338.470 3.936 20 0 EHADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001171776309 1137509964 /nfs/dbraw/zinc/50/99/64/1137509964.db2.gz TYFXOLLRNAEUNI-AHRSYUTCSA-N 2 1 338.470 3.936 20 0 EHADMP C[C@H]1C[C@@H](n2cnc(-c3ccc(C[NH3+])cc3)c2)C[N@H+]1Cc1ccccc1 ZINC001171740720 1137511329 /nfs/dbraw/zinc/51/13/29/1137511329.db2.gz LDKCRIAVQGVYDT-LAUBAEHRSA-N 2 1 346.478 3.844 20 0 EHADMP CC(C)C[N@@H+]([C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171742539 1137511439 /nfs/dbraw/zinc/51/14/39/1137511439.db2.gz WHVPWHDRYAJDSG-JKLQHZFJSA-N 2 1 343.559 3.877 20 0 EHADMP COCc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1OC ZINC000123367983 1137514277 /nfs/dbraw/zinc/51/42/77/1137514277.db2.gz CNTVMGJNCWLUIR-IRXDYDNUSA-N 2 1 334.504 3.757 20 0 EHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001171920917 1137517113 /nfs/dbraw/zinc/51/71/13/1137517113.db2.gz DMLGBVQACZZADP-CPFNUKBASA-N 2 1 338.536 3.595 20 0 EHADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001204077854 1137517839 /nfs/dbraw/zinc/51/78/39/1137517839.db2.gz KJYXAXDLLKDCFI-UHFFFAOYSA-N 2 1 335.495 3.960 20 0 EHADMP CCOC(=O)C1(C)CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001171955485 1137518869 /nfs/dbraw/zinc/51/88/69/1137518869.db2.gz LCFXTBYBNHXAOZ-UHFFFAOYSA-N 2 1 338.536 3.551 20 0 EHADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962170 1137519429 /nfs/dbraw/zinc/51/94/29/1137519429.db2.gz BSJJKIUUYUZDEI-FQEVSTJZSA-N 2 1 329.532 3.504 20 0 EHADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965733 1137520444 /nfs/dbraw/zinc/52/04/44/1137520444.db2.gz QWBXTMDVAAIONR-FQEVSTJZSA-N 2 1 331.548 3.751 20 0 EHADMP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171967806 1137520887 /nfs/dbraw/zinc/52/08/87/1137520887.db2.gz NHPIYAGLWFORML-UXHICEINSA-N 2 1 330.516 3.978 20 0 EHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969171 1137523339 /nfs/dbraw/zinc/52/33/39/1137523339.db2.gz ZORNABNZDZEWMD-OIISXLGYSA-N 2 1 340.433 3.910 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969171 1137523340 /nfs/dbraw/zinc/52/33/40/1137523340.db2.gz ZORNABNZDZEWMD-OIISXLGYSA-N 2 1 340.433 3.910 20 0 EHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969171 1137523342 /nfs/dbraw/zinc/52/33/42/1137523342.db2.gz ZORNABNZDZEWMD-OIISXLGYSA-N 2 1 340.433 3.910 20 0 EHADMP C[N@@H+](CC1CCOCC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976213 1137525180 /nfs/dbraw/zinc/52/51/80/1137525180.db2.gz JBPJNNUQVUBCNP-FQEVSTJZSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](CC1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976213 1137525182 /nfs/dbraw/zinc/52/51/82/1137525182.db2.gz JBPJNNUQVUBCNP-FQEVSTJZSA-N 2 1 330.516 3.788 20 0 EHADMP C[NH+](CC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976213 1137525183 /nfs/dbraw/zinc/52/51/83/1137525183.db2.gz JBPJNNUQVUBCNP-FQEVSTJZSA-N 2 1 330.516 3.788 20 0 EHADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978203 1137526116 /nfs/dbraw/zinc/52/61/16/1137526116.db2.gz XCNKQNRQLYXBNA-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978203 1137526118 /nfs/dbraw/zinc/52/61/18/1137526118.db2.gz XCNKQNRQLYXBNA-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978203 1137526120 /nfs/dbraw/zinc/52/61/20/1137526120.db2.gz XCNKQNRQLYXBNA-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]1CO ZINC001171978203 1137526122 /nfs/dbraw/zinc/52/61/22/1137526122.db2.gz XCNKQNRQLYXBNA-MISYRCLQSA-N 2 1 330.516 3.522 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@H](CO)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171983412 1137526735 /nfs/dbraw/zinc/52/67/35/1137526735.db2.gz NTRZIFAVVYBCRH-LEWJYISDSA-N 2 1 344.543 3.960 20 0 EHADMP C[N@@H+](C1CC1)[C@@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986333 1137527630 /nfs/dbraw/zinc/52/76/30/1137527630.db2.gz GRIMERYXPKOZAT-LEWJYISDSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986333 1137527631 /nfs/dbraw/zinc/52/76/31/1137527631.db2.gz GRIMERYXPKOZAT-LEWJYISDSA-N 2 1 341.543 3.598 20 0 EHADMP C[NH+](C1CC1)[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986333 1137527632 /nfs/dbraw/zinc/52/76/32/1137527632.db2.gz GRIMERYXPKOZAT-LEWJYISDSA-N 2 1 341.543 3.598 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073821 1137529991 /nfs/dbraw/zinc/52/99/91/1137529991.db2.gz CQVIEANVHIMGGX-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073821 1137529993 /nfs/dbraw/zinc/52/99/93/1137529993.db2.gz CQVIEANVHIMGGX-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073821 1137529995 /nfs/dbraw/zinc/52/99/95/1137529995.db2.gz CQVIEANVHIMGGX-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@@]4(CCO4)C2)C3)cc1 ZINC001172073821 1137529997 /nfs/dbraw/zinc/52/99/97/1137529997.db2.gz CQVIEANVHIMGGX-CIAFKFPVSA-N 2 1 340.511 3.827 20 0 EHADMP COCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076550 1137530363 /nfs/dbraw/zinc/53/03/63/1137530363.db2.gz FRQZLPYKFQZREG-ZBYYUNFXSA-N 2 1 342.527 3.931 20 0 EHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC4(CCO4)CC2)C3)cc1 ZINC001172076498 1137530478 /nfs/dbraw/zinc/53/04/78/1137530478.db2.gz ZYEGEUVXAPHLBX-AERCQKQUSA-N 2 1 340.511 3.827 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC4(CCO4)CC2)C3)cc1 ZINC001172076498 1137530480 /nfs/dbraw/zinc/53/04/80/1137530480.db2.gz ZYEGEUVXAPHLBX-AERCQKQUSA-N 2 1 340.511 3.827 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084439 1137531262 /nfs/dbraw/zinc/53/12/62/1137531262.db2.gz XUWZMPXGEPVSTR-MNVIUDHYSA-N 2 1 340.511 3.825 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084439 1137531264 /nfs/dbraw/zinc/53/12/64/1137531264.db2.gz XUWZMPXGEPVSTR-MNVIUDHYSA-N 2 1 340.511 3.825 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172084439 1137531265 /nfs/dbraw/zinc/53/12/65/1137531265.db2.gz XUWZMPXGEPVSTR-MNVIUDHYSA-N 2 1 340.511 3.825 20 0 EHADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172084439 1137531267 /nfs/dbraw/zinc/53/12/67/1137531267.db2.gz XUWZMPXGEPVSTR-MNVIUDHYSA-N 2 1 340.511 3.825 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCC2CCOCC2)C3)cc1 ZINC001172064490 1137532751 /nfs/dbraw/zinc/53/27/51/1137532751.db2.gz GOHJNHGNUNZUQS-DKUWSORSSA-N 2 1 342.527 3.978 20 0 EHADMP C[C@@H](C[NH+]1CCCC1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062703 1137533093 /nfs/dbraw/zinc/53/30/93/1137533093.db2.gz QUULFEXRMZYQMW-JKLQHZFJSA-N 2 1 341.543 3.646 20 0 EHADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066164 1137533339 /nfs/dbraw/zinc/53/33/39/1137533339.db2.gz UJDZODOBPJOEIM-XETXSBNLSA-N 2 1 342.527 3.713 20 0 EHADMP OC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066161 1137533534 /nfs/dbraw/zinc/53/35/34/1137533534.db2.gz UJDZODOBPJOEIM-HRMJIJJXSA-N 2 1 342.527 3.713 20 0 EHADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172065450 1137533600 /nfs/dbraw/zinc/53/36/00/1137533600.db2.gz MALLVYIIIYQHJI-YSFYHYPLSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065450 1137533602 /nfs/dbraw/zinc/53/36/02/1137533602.db2.gz MALLVYIIIYQHJI-YSFYHYPLSA-N 2 1 341.543 3.646 20 0 EHADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065450 1137533603 /nfs/dbraw/zinc/53/36/03/1137533603.db2.gz MALLVYIIIYQHJI-YSFYHYPLSA-N 2 1 341.543 3.646 20 0 EHADMP CCOC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065159 1137533775 /nfs/dbraw/zinc/53/37/75/1137533775.db2.gz LXCDAIPMLIAOBN-FRYIKTPZSA-N 2 1 344.499 3.503 20 0 EHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2ccccn2)C3)cc1 ZINC001172069524 1137534651 /nfs/dbraw/zinc/53/46/51/1137534651.db2.gz UUGQSXIYRSNVNC-DKUWSORSSA-N 2 1 335.495 3.799 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128104 1137534890 /nfs/dbraw/zinc/53/48/90/1137534890.db2.gz OVDPDMDCAMKJMF-MEWRGDBZSA-N 2 1 348.494 3.532 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128104 1137534892 /nfs/dbraw/zinc/53/48/92/1137534892.db2.gz OVDPDMDCAMKJMF-MEWRGDBZSA-N 2 1 348.494 3.532 20 0 EHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128104 1137534893 /nfs/dbraw/zinc/53/48/93/1137534893.db2.gz OVDPDMDCAMKJMF-MEWRGDBZSA-N 2 1 348.494 3.532 20 0 EHADMP COc1ccc(C2=CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001172130622 1137535328 /nfs/dbraw/zinc/53/53/28/1137535328.db2.gz QQFVTHDSFYFYTC-PMOLBWCYSA-N 2 1 326.484 3.800 20 0 EHADMP COc1ccc(C2=CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CC2)cc1 ZINC001172130622 1137535329 /nfs/dbraw/zinc/53/53/29/1137535329.db2.gz QQFVTHDSFYFYTC-PMOLBWCYSA-N 2 1 326.484 3.800 20 0 EHADMP COc1ccc(C2=CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CC2)cc1 ZINC001172130622 1137535330 /nfs/dbraw/zinc/53/53/30/1137535330.db2.gz QQFVTHDSFYFYTC-PMOLBWCYSA-N 2 1 326.484 3.800 20 0 EHADMP COc1ccc(C2=CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172130622 1137535331 /nfs/dbraw/zinc/53/53/31/1137535331.db2.gz QQFVTHDSFYFYTC-PMOLBWCYSA-N 2 1 326.484 3.800 20 0 EHADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128775 1137535633 /nfs/dbraw/zinc/53/56/33/1137535633.db2.gz UBSHHYRWMYGVRI-CIAFKFPVSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128775 1137535634 /nfs/dbraw/zinc/53/56/34/1137535634.db2.gz UBSHHYRWMYGVRI-CIAFKFPVSA-N 2 1 341.543 3.598 20 0 EHADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128775 1137535635 /nfs/dbraw/zinc/53/56/35/1137535635.db2.gz UBSHHYRWMYGVRI-CIAFKFPVSA-N 2 1 341.543 3.598 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)C2 ZINC001172110741 1137536914 /nfs/dbraw/zinc/53/69/14/1137536914.db2.gz OEKDSLNMAADRIR-OWZKRDHZSA-N 2 1 344.499 3.505 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001172110969 1137537165 /nfs/dbraw/zinc/53/71/65/1137537165.db2.gz MWVNTEKUAUUWGC-FVQHAEBGSA-N 2 1 347.934 3.605 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(C[NH3+])c(C(F)(F)F)c1)C2 ZINC001172113559 1137537697 /nfs/dbraw/zinc/53/76/97/1137537697.db2.gz DIPNBSQKGBKSSE-QKDCVEJESA-N 2 1 327.394 3.591 20 0 EHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OCc3ccccc3)CC1)C2 ZINC001172121438 1137538056 /nfs/dbraw/zinc/53/80/56/1137538056.db2.gz JNFQUOGKQSEAJT-ACDBMABISA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OCc3ccccc3)CC1)C2 ZINC001172121438 1137538057 /nfs/dbraw/zinc/53/80/57/1137538057.db2.gz JNFQUOGKQSEAJT-ACDBMABISA-N 2 1 328.500 3.683 20 0 EHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001172115406 1137538444 /nfs/dbraw/zinc/53/84/44/1137538444.db2.gz XDEUBRVJXWTVNY-JGPRNRPPSA-N 2 1 332.332 3.722 20 0 EHADMP COc1ccc([C@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172121115 1137538468 /nfs/dbraw/zinc/53/84/68/1137538468.db2.gz CSNGTBWOZWSVAZ-AJYBTWMASA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172121115 1137538469 /nfs/dbraw/zinc/53/84/69/1137538469.db2.gz CSNGTBWOZWSVAZ-AJYBTWMASA-N 2 1 346.540 3.800 20 0 EHADMP COc1ccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172121115 1137538470 /nfs/dbraw/zinc/53/84/70/1137538470.db2.gz CSNGTBWOZWSVAZ-AJYBTWMASA-N 2 1 346.540 3.800 20 0 EHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172187605 1137539296 /nfs/dbraw/zinc/53/92/96/1137539296.db2.gz NZYJFVWJOMMWKB-SFHVURJKSA-N 2 1 339.508 3.665 20 0 EHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC001172228025 1137542462 /nfs/dbraw/zinc/54/24/62/1137542462.db2.gz UFGVLUAXLZSUEL-QFBRVBKVSA-N 2 1 340.511 3.807 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC001172228025 1137542463 /nfs/dbraw/zinc/54/24/63/1137542463.db2.gz UFGVLUAXLZSUEL-QFBRVBKVSA-N 2 1 340.511 3.807 20 0 EHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC001172228025 1137542464 /nfs/dbraw/zinc/54/24/64/1137542464.db2.gz UFGVLUAXLZSUEL-QFBRVBKVSA-N 2 1 340.511 3.807 20 0 EHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172332997 1137551283 /nfs/dbraw/zinc/55/12/83/1137551283.db2.gz IUWMBSLVSCSYDC-AJYBTWMASA-N 2 1 333.520 3.747 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000872021082 1137564981 /nfs/dbraw/zinc/56/49/81/1137564981.db2.gz OAAMYARXHHYFIC-PMACEKPBSA-N 2 1 330.516 3.618 20 0 EHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000872021082 1137564982 /nfs/dbraw/zinc/56/49/82/1137564982.db2.gz OAAMYARXHHYFIC-PMACEKPBSA-N 2 1 330.516 3.618 20 0 EHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1F ZINC000872026148 1137565879 /nfs/dbraw/zinc/56/58/79/1137565879.db2.gz BRKAPZBIQCXEDZ-KRWDZBQOSA-N 2 1 343.446 3.901 20 0 EHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCOC1 ZINC000872090669 1137570697 /nfs/dbraw/zinc/57/06/97/1137570697.db2.gz DRGGZFSTDJPJMU-WLRLJWMZSA-N 2 1 330.516 3.549 20 0 EHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000872107061 1137571469 /nfs/dbraw/zinc/57/14/69/1137571469.db2.gz OGMOPFFHSHNSOA-CZUORRHYSA-N 2 1 337.305 3.553 20 0 EHADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1c(Cl)cccc1Cl ZINC000872154920 1137573918 /nfs/dbraw/zinc/57/39/18/1137573918.db2.gz FIIRPLIKHKQLNV-UHFFFAOYSA-N 2 1 346.302 3.773 20 0 EHADMP Cc1sc2[nH]c([C@H](C)[N@@H+](C)CCCCCC[NH3+])nc(=O)c2c1C ZINC000872154957 1137574119 /nfs/dbraw/zinc/57/41/19/1137574119.db2.gz HEDBRRMHRMSXNM-LBPRGKRZSA-N 2 1 336.505 3.526 20 0 EHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1)C1CCCC1 ZINC000872156050 1137574382 /nfs/dbraw/zinc/57/43/82/1137574382.db2.gz DCSJATDQROSGPN-ZBFHGGJFSA-N 2 1 336.442 3.575 20 0 EHADMP Oc1cccc(C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC2CC2)c1 ZINC000873204945 1137593978 /nfs/dbraw/zinc/59/39/78/1137593978.db2.gz JPRDIKJUFKMVBS-UHFFFAOYSA-N 2 1 328.481 3.512 20 0 EHADMP COc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(Cl)c1OC ZINC000873223428 1137594259 /nfs/dbraw/zinc/59/42/59/1137594259.db2.gz MWFPEFIVCZOZCS-GOSISDBHSA-N 2 1 340.895 3.554 20 0 EHADMP COc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(Cl)c1OC ZINC000873223428 1137594260 /nfs/dbraw/zinc/59/42/60/1137594260.db2.gz MWFPEFIVCZOZCS-GOSISDBHSA-N 2 1 340.895 3.554 20 0 EHADMP Fc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000876769994 1137660883 /nfs/dbraw/zinc/66/08/83/1137660883.db2.gz FYXIDWQYEGNPNJ-INIZCTEOSA-N 2 1 327.447 3.682 20 0 EHADMP Fc1cccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000876769994 1137660884 /nfs/dbraw/zinc/66/08/84/1137660884.db2.gz FYXIDWQYEGNPNJ-INIZCTEOSA-N 2 1 327.447 3.682 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CSCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877086675 1137669802 /nfs/dbraw/zinc/66/98/02/1137669802.db2.gz QSIRCWZGMLKWEF-WDSOQIARSA-N 2 1 348.581 3.793 20 0 EHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CSCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877086675 1137669803 /nfs/dbraw/zinc/66/98/03/1137669803.db2.gz QSIRCWZGMLKWEF-WDSOQIARSA-N 2 1 348.581 3.793 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3COC4(CCC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000877628677 1137683541 /nfs/dbraw/zinc/68/35/41/1137683541.db2.gz LTOZQBOQSGSJDQ-HBFSDRIKSA-N 2 1 326.484 3.656 20 0 EHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3COC4(CCC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000877628677 1137683542 /nfs/dbraw/zinc/68/35/42/1137683542.db2.gz LTOZQBOQSGSJDQ-HBFSDRIKSA-N 2 1 326.484 3.656 20 0 EHADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)O2)cc1 ZINC000878286894 1137709890 /nfs/dbraw/zinc/70/98/90/1137709890.db2.gz UXKYDZRDDJGJAY-FKVLARQCSA-N 2 1 340.511 3.855 20 0 EHADMP CO[C@H](C)c1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000879704853 1137755768 /nfs/dbraw/zinc/75/57/68/1137755768.db2.gz VRGVPSIYPVBVSY-OAHLLOKOSA-N 2 1 339.549 3.650 20 0 EHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102838 1137768322 /nfs/dbraw/zinc/76/83/22/1137768322.db2.gz FPYULXXHPSDYBM-LBPRGKRZSA-N 2 1 326.366 3.736 20 0 EHADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000880476088 1137779821 /nfs/dbraw/zinc/77/98/21/1137779821.db2.gz NGTASQRYUVWAPL-WOJBJXKFSA-N 2 1 328.500 3.857 20 0 EHADMP COC[C@H](C)[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134171 1137792422 /nfs/dbraw/zinc/79/24/22/1137792422.db2.gz BUOHGLUMUCYVHE-OXJNMPFZSA-N 2 1 327.472 3.606 20 0 EHADMP COC[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000626134171 1137792423 /nfs/dbraw/zinc/79/24/23/1137792423.db2.gz BUOHGLUMUCYVHE-OXJNMPFZSA-N 2 1 327.472 3.606 20 0 EHADMP CC[C@@H]1C[C@H](CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCO1 ZINC000883345953 1137856079 /nfs/dbraw/zinc/85/60/79/1137856079.db2.gz OAINTRLFHHFSAM-DUXKGJEZSA-N 2 1 343.515 3.588 20 0 EHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000883356483 1137857233 /nfs/dbraw/zinc/85/72/33/1137857233.db2.gz PFNVUTTXNCVXOZ-HXUWFJFHSA-N 2 1 346.490 3.524 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348229455 1137869523 /nfs/dbraw/zinc/86/95/23/1137869523.db2.gz RYOMJFOWLMMAST-JENIJYKNSA-N 2 1 339.483 3.651 20 0 EHADMP COc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348229455 1137869524 /nfs/dbraw/zinc/86/95/24/1137869524.db2.gz RYOMJFOWLMMAST-JENIJYKNSA-N 2 1 339.483 3.651 20 0 EHADMP CC(C)[N@H+](C)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109569764 1137893537 /nfs/dbraw/zinc/89/35/37/1137893537.db2.gz VYKOINYYWGFEDN-UHFFFAOYSA-N 2 1 328.460 3.563 20 0 EHADMP CC(C)[N@@H+](C)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109569764 1137893538 /nfs/dbraw/zinc/89/35/38/1137893538.db2.gz VYKOINYYWGFEDN-UHFFFAOYSA-N 2 1 328.460 3.563 20 0 EHADMP C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)CC1CC[NH+](C)CC1 ZINC000110116990 1137899283 /nfs/dbraw/zinc/89/92/83/1137899283.db2.gz IRXVNQLDKKABSO-UHFFFAOYSA-N 2 1 333.476 3.723 20 0 EHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CCCCC1 ZINC000884176821 1137922391 /nfs/dbraw/zinc/92/23/91/1137922391.db2.gz QWTFHOYKBVFJJX-SFHVURJKSA-N 2 1 343.515 3.635 20 0 EHADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000885924119 1138025382 /nfs/dbraw/zinc/02/53/82/1138025382.db2.gz HTESMFJHBLMSRD-FPOVZHCZSA-N 2 1 330.516 3.897 20 0 EHADMP COCCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886540912 1138093436 /nfs/dbraw/zinc/09/34/36/1138093436.db2.gz MQJDOXZZMDWCIS-ACRUOGEOSA-N 2 1 342.527 3.836 20 0 EHADMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3ccccc3C)CC2)[nH+]c1C ZINC000886664157 1138111173 /nfs/dbraw/zinc/11/11/73/1138111173.db2.gz CZAJUHGHJSLQPX-UHFFFAOYSA-N 2 1 340.471 3.543 20 0 EHADMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000093644691 1138238918 /nfs/dbraw/zinc/23/89/18/1138238918.db2.gz DMCUUERDBKFDRG-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644691 1138238921 /nfs/dbraw/zinc/23/89/21/1138238921.db2.gz DMCUUERDBKFDRG-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCc2cccnc2)CCN1C ZINC000093644691 1138238922 /nfs/dbraw/zinc/23/89/22/1138238922.db2.gz DMCUUERDBKFDRG-XLIONFOSSA-N 2 1 339.483 3.575 20 0 EHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(F)c1 ZINC000122285888 1138256727 /nfs/dbraw/zinc/25/67/27/1138256727.db2.gz UMQGYHHKCYGINZ-HNNXBMFYSA-N 2 1 346.446 3.626 20 0 EHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CCN1C ZINC000123642133 1138272737 /nfs/dbraw/zinc/27/27/37/1138272737.db2.gz PSLBTIMUJUZDKD-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123642133 1138272738 /nfs/dbraw/zinc/27/27/38/1138272738.db2.gz PSLBTIMUJUZDKD-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)cc2)CC[N@H+]1C ZINC000123642133 1138272739 /nfs/dbraw/zinc/27/27/39/1138272739.db2.gz PSLBTIMUJUZDKD-UKRRQHHQSA-N 2 1 330.394 3.542 20 0 EHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)c2)CCO1 ZINC000337358791 1138544212 /nfs/dbraw/zinc/54/42/12/1138544212.db2.gz BWEIJGSODWEPBC-OTNPHJDUSA-N 2 1 328.500 3.576 20 0 EHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)c2)CCO1 ZINC000337358791 1138544214 /nfs/dbraw/zinc/54/42/14/1138544214.db2.gz BWEIJGSODWEPBC-OTNPHJDUSA-N 2 1 328.500 3.576 20 0 EHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132856270 1138606796 /nfs/dbraw/zinc/60/67/96/1138606796.db2.gz QVBYQCXYLMJMSL-IRXDYDNUSA-N 2 1 342.483 3.893 20 0 EHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000265228031 1138772989 /nfs/dbraw/zinc/77/29/89/1138772989.db2.gz YUSMUSCXTPJDTA-UHFFFAOYSA-N 2 1 326.469 3.803 20 0 EHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000338269941 1138809442 /nfs/dbraw/zinc/80/94/42/1138809442.db2.gz IUHVJNZXGHBNSD-MRXNPFEDSA-N 2 1 335.561 3.933 20 0 EHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000338269941 1138809448 /nfs/dbraw/zinc/80/94/48/1138809448.db2.gz IUHVJNZXGHBNSD-MRXNPFEDSA-N 2 1 335.561 3.933 20 0 EHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@@H]1C ZINC000338308709 1138827588 /nfs/dbraw/zinc/82/75/88/1138827588.db2.gz RYWKAOJOPKSLEC-RDJZCZTQSA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@@H]1C ZINC000338308709 1138827592 /nfs/dbraw/zinc/82/75/92/1138827592.db2.gz RYWKAOJOPKSLEC-RDJZCZTQSA-N 2 1 327.472 3.553 20 0 EHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O)c3nc(C)ccc23)C[C@@H]1C ZINC000338308709 1138827601 /nfs/dbraw/zinc/82/76/01/1138827601.db2.gz RYWKAOJOPKSLEC-RDJZCZTQSA-N 2 1 327.472 3.553 20 0 EHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152431749 1139090220 /nfs/dbraw/zinc/09/02/20/1139090220.db2.gz IJBPJAFPRGOQOS-ILXRZTDVSA-N 2 1 329.513 3.862 20 0 EHADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152476519 1139093554 /nfs/dbraw/zinc/09/35/54/1139093554.db2.gz LTHHSLFCNZUQID-HZPDHXFCSA-N 2 1 332.488 3.619 20 0 EHADMP COc1ccc(Cl)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001137263083 1139363736 /nfs/dbraw/zinc/36/37/36/1139363736.db2.gz BDUCPYHTTYVAEJ-UHFFFAOYSA-N 2 1 345.874 3.791 20 0 EHADMP Cc1ncsc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174450799 1139421237 /nfs/dbraw/zinc/42/12/37/1139421237.db2.gz NZYPXKWDHQHCSE-UHFFFAOYSA-N 2 1 341.480 3.966 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H](N[C@@H](C)c2c(F)cccc2F)[C@H](C)C1 ZINC000178409175 1139692471 /nfs/dbraw/zinc/69/24/71/1139692471.db2.gz UHURGSXZRXDEEF-RVKKMQEKSA-N 2 1 340.458 3.752 20 0 EHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178413495 1139692946 /nfs/dbraw/zinc/69/29/46/1139692946.db2.gz SIWWCPATWXWHHU-CQSZACIVSA-N 2 1 330.501 3.650 20 0 EHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)[C@H](C)C1 ZINC000179127007 1139737068 /nfs/dbraw/zinc/73/70/68/1139737068.db2.gz TVQDUVAFGPKYNL-HLLBOEOZSA-N 2 1 339.911 3.523 20 0 EHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)[C@H](C)C1 ZINC000179127007 1139737075 /nfs/dbraw/zinc/73/70/75/1139737075.db2.gz TVQDUVAFGPKYNL-HLLBOEOZSA-N 2 1 339.911 3.523 20 0 EHADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182228218 1139959505 /nfs/dbraw/zinc/95/95/05/1139959505.db2.gz SRZXEHDYBNBACY-PGRDOPGGSA-N 2 1 338.495 3.803 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132174 1140015663 /nfs/dbraw/zinc/01/56/63/1140015663.db2.gz HVCCQZSUIYAWEF-SESVDKBCSA-N 2 1 339.483 3.682 20 0 EHADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132174 1140015670 /nfs/dbraw/zinc/01/56/70/1140015670.db2.gz HVCCQZSUIYAWEF-SESVDKBCSA-N 2 1 339.483 3.682 20 0 EHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155532 1140016918 /nfs/dbraw/zinc/01/69/18/1140016918.db2.gz XGWPKTBSLCFYLG-XSDIEEQYSA-N 2 1 342.527 3.834 20 0 EHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(CO)c1 ZINC000183222002 1140021983 /nfs/dbraw/zinc/02/19/83/1140021983.db2.gz YUSLRGADJNDXQU-GOSISDBHSA-N 2 1 338.495 3.537 20 0 EHADMP COc1ccc(C[C@H](C)C[NH2+]CCCCn2cc[nH+]c2C)cc1F ZINC000185295229 1140143858 /nfs/dbraw/zinc/14/38/58/1140143858.db2.gz DJONZCLPLBLCKP-HNNXBMFYSA-N 2 1 333.451 3.588 20 0 EHADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191502681 1140467962 /nfs/dbraw/zinc/46/79/62/1140467962.db2.gz MRZFLONRXDAULW-RTWAWAEBSA-N 2 1 343.559 3.589 20 0 EHADMP COCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193287447 1140569553 /nfs/dbraw/zinc/56/95/53/1140569553.db2.gz DYGXCQZMEWSISZ-IHWFROFDSA-N 2 1 330.516 3.834 20 0 EHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000193937228 1140590840 /nfs/dbraw/zinc/59/08/40/1140590840.db2.gz HJPWFZHFWWLODC-NJDAHSKKSA-N 2 1 340.511 3.588 20 0 EHADMP Clc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000267622251 1140811632 /nfs/dbraw/zinc/81/16/32/1140811632.db2.gz QUINTKANFPYYIR-UHFFFAOYSA-N 2 1 329.875 3.532 20 0 EHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268791614 1140992405 /nfs/dbraw/zinc/99/24/05/1140992405.db2.gz GNEFHJOCKTZPDE-MRXNPFEDSA-N 2 1 338.480 3.982 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000268841896 1141005218 /nfs/dbraw/zinc/00/52/18/1141005218.db2.gz NUYADFDOGQISPM-DLBZAZTESA-N 2 1 342.458 3.897 20 0 EHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000268841896 1141005224 /nfs/dbraw/zinc/00/52/24/1141005224.db2.gz NUYADFDOGQISPM-DLBZAZTESA-N 2 1 342.458 3.897 20 0 EHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000268866304 1141011679 /nfs/dbraw/zinc/01/16/79/1141011679.db2.gz SUOKWYDJQGFAJW-MRXNPFEDSA-N 2 1 349.519 3.816 20 0 EHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000271047512 1141300666 /nfs/dbraw/zinc/30/06/66/1141300666.db2.gz RUDMLFRKHSDZTN-UHFFFAOYSA-N 2 1 348.441 3.660 20 0 EHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000271047512 1141300673 /nfs/dbraw/zinc/30/06/73/1141300673.db2.gz RUDMLFRKHSDZTN-UHFFFAOYSA-N 2 1 348.441 3.660 20 0 EHADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000271510136 1141384079 /nfs/dbraw/zinc/38/40/79/1141384079.db2.gz NOFTXOQBDMWJEU-STZQEDGTSA-N 2 1 338.495 3.529 20 0 EHADMP CCOC(=O)c1coc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000348960492 1141615577 /nfs/dbraw/zinc/61/55/77/1141615577.db2.gz CHPBPNFMBUQGLY-UHFFFAOYSA-N 2 1 344.455 3.540 20 0 EHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000037649422 525415840 /nfs/dbraw/zinc/41/58/40/525415840.db2.gz SPXKQYAJYFOEQE-NWDGAFQWSA-N 2 1 341.268 3.723 20 0 EHADMP